diff --git a/README.md b/README.md index 0517872..42d40bd 100644 --- a/README.md +++ b/README.md @@ -1,31 +1,25 @@ -# DrugGEN: Target Centric De Novo Design of Drug Candidate Molecules with Graph Generative Deep Adversarial Networks +# DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks

- + +

- - - - ## Updated Pre-print! -**Please see our most up-to-date document (pre-print) from 15.02.2023 here:** [2302.07868.pdf](https://github.com/HUBioDataLab/DrugGEN/files/10828402/2302.07868.pdf), [arXiv link](https://arxiv.org/abs/2302.07868) +**Please see our most up-to-date document (pre-print) from 26.07.2024 here:** [arXiv link](https://arxiv.org/abs/2302.07868)     ## Abstract -Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, have been developed with the purpose of picking completely new samples from a partially known space. Generative models offer high potential for designing de novo molecules; however, in order for them to be useful in real-life drug development pipelines, these models should be able to design target-specific molecules, which is the next step in this field. In this study, we propose DrugGEN, for the de novo design of drug candidate molecules that interact with selected target proteins. The proposed system represents compounds and protein structures as graphs and processes them via serially connected two generative adversarial networks comprising graph transformers. DrugGEN is trained using a large dataset of compounds from ChEMBL and target-specific bioactive molecules, to design effective and specific inhibitory molecules against the AKT1 protein, which has critical importance for developing treatments against various types of cancer. On fundamental benchmarks, DrugGEN models have either competitive or better performance against other methods. To assess the target-specific generation performance, we conducted further in silico analysis with molecular docking and deep learning-based bioactivity prediction. Results indicate that de novo molecules have high potential for interacting with the AKT1 protein structure in the level of its native ligand. DrugGEN can be used to design completely novel and effective target-specific drug candidate molecules for any druggable protein, given target features and a dataset of experimental bioactivities. Code base, datasets, results and trained models of DrugGEN are available in this repository. +Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, offer a high potential for designing de novo molecules. However, for them to be useful in real-life drug development pipelines, these models should be able to design drug-like and target-centric molecules. In this study, we propose an end-to-end generative system, DrugGEN, for the de novo design of drug candidate molecules that interact with intended target proteins. The proposed method represents molecules as graphs and processes them via a generative adversarial network comprising graph transformer layers. The system is trained using a large dataset of drug-like compounds and target-specific bioactive molecules to design effective inhibitory molecules against the AKT1 protein, which has critical importance for developing treatments against various types of cancer. We conducted further analysis with molecular docking and dynamics to assess the target-centric generation performance of the model, and attention score visualisation for interpretability. Results indicate that our de novo molecules have a high potential for interacting with the AKT1 protein at the level of its native ligands. Using the open-access DrugGEN codebase, it is possible to easily train models for other druggable proteins, given a dataset of experimentally known bioactive molecules. Our up-to-date pre-print is shared [here](https://github.com/HUBioDataLab/DrugGEN/files/10828402/2302.07868.pdf) @@ -41,19 +35,17 @@ Our up-to-date pre-print is shared [here](https://github.com/HUBioDataLab/DrugGE

- +

-**Fig. 1.** **(A)** Generator (*G1*) of the GAN1 consists of an MLP and graph transformer encoder module. The generator encodes the given input into a new representation; **(B)** the MLP-based discriminator (*D1*) of GAN1 compares the generated de novo molecules to the real ones in the training dataset, scoring them for their assignment to the classes of “real” and “fake” molecules; **(C)** Generator (*G2*) of GAN2 makes use of the transformer decoder architecture to process target protein features and GAN1 generated de novo molecules together. The output of the generator two (*G2*) is the modified molecules, based on the given protein features; **(D)** the second discriminator (*D2*) takes the modified de novo molecules and known inhibitors of the given target protein and scores them for their assignment to the classes of “real” and “fake” inhibitors. +**Fig. 1.** The schematic representation of the architecture of the DrugGEN model with powerful graph transformer encoder modules in both generator and discriminator networks. The generator module transforms the given input into a new molecular representation. The discriminator compares the generated de novo molecules to the known inhibitors of the given target protein, scoring them for their assignment to the classes of “real” and “fake” molecules (abbreviations; MLP: multi-layered perceptron, Norm: normalisation, Concat: concatenation, MatMul: matrix multiplication, ElementMul: element-wise multiplication, Mol. adj: molecule adjacency tensor, Mol. Anno: molecule annotation matrix, Upd: updated).     -## Transformer Modules - -Given a random noise *z*, **the first generator** *G1* (below, on the left side) creates annotation and adjacency matrices of a supposed molecule. *G1* processes the input by passing it through a multi-layer perceptron (MLP). The input is then fed to the transformer encoder module [Vaswani et al., (2017)](https://arxiv.org/abs/1706.03762), which has a depth of 8 encoder layers with 8 multi-head attention heads for each. In the graph transformer setting, *Q*, *K* and *V* are the variables representing the annotation matrix of the molecule. After the final products are created in the attention mechanism, both the annotation and adjacency matrices are forwarded to layer normalization and then summed with the initial matrices to create a residual connection. These matrices are fed to separate feedforward layers, and finally, given to the discriminator network *D1* together with real molecules. +## Transformer Module -**The second generator** *G2* (below, on the right side) modifies molecules that were previously generated by *G1*, with the aim of generating binders for the given target protein. *G2* module utilizes the transformer decoder architecture. This module has a depth of 8 decoder layers and uses 8 multi-head attention heads for each. *G2* takes both *G1(z)*, which is data generated by *G1*, and the protein features as input. Interactions between molecules and proteins are processed inside the multi-head attention module via taking their scaled dot product, and thus, new molecular graphs are created. Apart from the attention mechanism, further processing of the molecular matrices follows the same workflow as the transformer encoder. The output of this module are the final product of the DrugGEN model and are forwarded to *D2*. +Given a random molecule *z*, **the generator** *G* (below) creates annotation and adjacency matrices of a supposed molecule. *G* processes the input by passing it through a multi-layer perceptron (MLP). The input is then fed to the graph transformer encoder module [Vaswani et al., (2017)](https://arxiv.org/abs/1706.03762), which has a depth of 1 encoder layers with 8 multi-head attention heads for each. In the graph transformer setting, *Q*, *K* and *V* are the variables representing the annotation matrix of the molecule. After the final products are created in the attention mechanism, both the annotation and adjacency matrices are forwarded to layer normalization and then summed with the initial matrices to create a residual connection. These matrices are fed to separate feedforward layers, and finally, given to the discriminator network *D* together with real molecules. @@ -64,20 +56,19 @@ Given a random noise *z*, **the first generator** *G1* (below, on the left side) -| First Generator | Second Generator | -|------------------------------------------------------------------------------------------------------------|--------------------------------------------------------------------------------------------------------------------| - | ![FirstGAN](assets/DrugGEN_G1_final2.gif) | ![SecondGAN](assets/DrugGEN_G2_final2.gif) | + + + + +     ## Model Variations -- **DrugGEN-Prot** (the default model) is composed of two GANs. It incorporates protein features to the transformer decoder module of GAN2 (together with the de novo molecules generated by GAN1) to direct the target centric molecule design. The information provided above belongs to this model. -- **DrugGEN-CrossLoss** is composed of only one GAN. The input of the GAN1 generator is the real molecules (ChEMBL) dataset (to ease the learning process) and the GAN1 discriminator compares the generated molecules with the real inhibitors of the given target protein. -- **DrugGEN-Ligand** is composed of two GANs. It incorporates AKT1 inhibitor molecule features as the input of the GAN2-generator’s transformer decoder instead of the protein features in the default model. -- **DrugGEN-RL** utilizes the same architecture as the DrugGEN-Ligand model. It uses reinforcement learning (RL) to avoid using molecular scaffolds that are already presented in the training set. -- **DrugGEN-NoTarget** is composed of only one GAN. This model only focuses on learning the chemical properties from the ChEMBL training dataset, as a result, there is no target-specific generation. +- **DrugGEN** is the default model. The input of the generator is the real molecules (ChEMBL) dataset (to ease the learning process) and the discriminator compares the generated molecules with the real inhibitors of the given target protein. +- **DrugGEN-NoTarget** is the non-target-specific version of DrugGEN. This model only focuses on learning the chemical properties from the ChEMBL training dataset.     @@ -99,22 +90,21 @@ We provide the implementation of the DrugGEN, along with scripts from PyTorch Ge **Python scripts:** -- ```layers.py``` contains **transformer encoder** and **transformer decoder** implementations. -- ```main.py``` contains arguments and this file is used to run the model. -- ```models.py``` has the implementation of the **Generators** and **Discriminators** which are used in GAN1 and GAN2. -- ```new_dataloader.py``` constructs the graph dataset from given raw data. Uses PyG based data classes. -- ```trainer.py``` is the training and testing file for the model. Workflow is constructed in this file. -- ```utils.py``` contains performance metrics from several other papers and some unique implementations. (De Cao et al, 2018; Polykovskiy et al., 2020) +- ```new_dataloader.py``` constructs the graph dataset from given raw data. Uses PyG based data classes. +- - ```utils.py``` contains performance metrics from several other papers and some unique implementations. (De Cao et al, 2018; Polykovskiy et al., 2020) +- ```layers.py``` contains **transformer encoder** implementation. +- ```models.py``` has the implementation of the **Generator** and **Discriminator**. +- ```train.py``` is the training file for the model. Workflow is constructed in this file. +- ```inference.py``` is the testing file for the model. Workflow is constructed in this file.     ## Datasets -Three different data types (i.e., compound, protein, and bioactivity) were retrieved from various data sources to train our deep generative models. GAN1 module requires only compound data while GAN2 requires all of three data types including compound, protein, and bioactivity. -- **Compound data** includes atomic, physicochemical, and structural properties of real drug and drug candidate molecules. [ChEMBL v29 compound dataset](data/dataset_download.sh) was used for the GAN1 module. It consists of 1,588,865 stable organic molecules with a maximum of 45 atoms and containing C, O, N, F, Ca, K, Br, B, S, P, Cl, and As heavy atoms. -- **Protein data** was retrieved from Protein Data Bank (PDB) in biological assembly format, and the coordinates of protein-ligand complexes were used to construct the binding sites of proteins from the bioassembly data. The atoms of protein residues within a maximum distance of 9 A from all ligand atoms were recorded as binding sites. GAN2 was trained for generating compounds specific to the target protein AKT1, which is a member of serine/threonine-protein kinases and involved in many cancer-associated cellular processes including metabolism, proliferation, cell survival, growth and angiogenesis. Binding site of human AKT1 protein was generated from the kinase domain (PDB: 4GV1). -- **Bioactivity data** of AKT target protein was retrieved from large-scale ChEMBL bioactivity database. It contains ligand interactions of human AKT1 (CHEMBL4282) protein with a pChEMBL value equal to or greater than 6 (IC50 <= 1 µM) as well as SMILES information of these ligands. The dataset was extended by including drug molecules from DrugBank database known to interact with human AKT proteins. Thus, a total of [1,600 bioactivity data](data/filtered_akt_inhibitors.smi) points were obtained for training the AKT-specific generative model. +Two different data types (i.e., compound, and bioactivity) were retrieved from various data sources to train our deep generative models. +- **Compound data** includes atomic, physicochemical, and structural properties of real drug and drug candidate molecules. [ChEMBL v29 compound dataset](data/dataset_download.sh) was used for the GAN module. It consists of 1,588,865 stable organic molecules with a maximum of 45 atoms and containing C, O, N, F, Ca, K, Br, B, S, P, Cl, and As heavy atoms. +- **Bioactivity data** of AKT target protein was retrieved from large-scale ChEMBL bioactivity database. It contains ligand interactions of human AKT1 (CHEMBL4282) protein with a pChEMBL value equal to or greater than 6 (IC50 <= 1 µM) as well as SMILES information of these ligands. The dataset was extended by including drug molecules from DrugBank database known to interact with human AKT proteins. Thus, a total of [2,405 bioactivity data](data/Filtered_AKT_inhibitors.csv) points were obtained for training the AKT-specific generative model, excluding molecules larger than 45 heavy atoms. More details on the construction of datasets can be found in our paper referenced above. @@ -125,18 +115,13 @@ More details on the construction of datasets can be found in our paper reference   ## Getting Started -DrugGEN has been implemented and tested on Ubuntu 18.04 with python >= 3.9. It supports both GPU and CPU inference. +DrugGEN has been implemented and tested on Ubuntu 20.04 with python >= 3.9. It supports both GPU and CPU inference. Clone the repo: ```bash git clone https://github.com/HUBioDataLab/DrugGEN.git ``` - -     @@ -167,7 +152,7 @@ pip install -r DrugGEN/requirements.txt ``` -### Starting the training +### Training the model ``` # Download input files: @@ -178,45 +163,42 @@ bash dataset_download.sh cd -# DrugGEN can be trained with the one-liner: +# Default DrugGEN model can be trained with the one-liner: -python DrugGEN/main.py --submodel="CrossLoss" --mode="train" --raw_file="DrugGEN/data/chembl_train.smi" --dataset_file="chembl45_train.pt" --drug_raw_file="DrugGEN/data/akt_train.smi" --drug_dataset_file="drugs_train.pt" --max_atom=45 +python DrugGEN/train.py --submodel="DrugGEN" --raw_file="DrugGEN/data/chembl_train.smi" --dataset_file="chembl45_train.pt" --drug_raw_file="DrugGEN/data/akt_train.smi" --drug_dataset_file="drugs_train.pt" --max_atom=45 ``` ** Explanations of arguments can be found below: ```bash Model arguments: - --submodel SUBMODEL Choose the submodel for training - --act ACT Activation function for the model - --z_dim Z_DIM Prior noise for the first GAN - --max_atom MAX ATOM Maximum atom number for molecules must be specified - --lambda_gp LAMBDA_GP Gradient penalty lambda multiplier for the first GAN - --dim DIM Dimension of the Transformer models for both GANs - --depth DEPTH Depth of the Transformer model from the first GAN - --heads HEADS Number of heads for the MultiHeadAttention module from the first GAN - --dec_depth DEC_DEPTH Depth of the Transformer model from the second GAN - --dec_heads DEC_HEADS Number of heads for the MultiHeadAttention module from the second GAN - --mlp_ratio MLP_RATIO MLP ratio for the Transformers - --dis_select DIS_SELECT Select the discriminator for the first and second GAN - --init_type INIT_TYPE Initialization type for the model - --dropout DROPOUT Dropout rate for the encoder - --dec_dropout DEC_DROPOUT Dropout rate for the decoder + --submodel Choose the submodel for training + --act Activation function for the model + --max_atom Maximum atom number for molecules must be specified + --lambda_gp Gradient penalty lambda multiplier + --dim Dimension of the Transformer model + --depth Depth of the Transformer model + --heads Number of heads for the MultiHeadAttention module + --mlp_ratio MLP ratio for the Transformers + --dropout Dropout rate for the encoder Training arguments: - --batch_size BATCH_SIZE Batch size for the training - --epoch EPOCH Epoch number for Training - --warm_up_steps Warm up steps for the first GAN - --g_lr G_LR Learning rate for G - --g2_lr G2_LR Learning rate for G2 - --d_lr D_LR Learning rate for D - --d2_lr D2_LR Learning rate for D2 - --n_critic N_CRITIC Number of D updates per each G update - --beta1 BETA1 Beta1 for Adam optimizer - --beta2 BETA2 Beta2 for Adam optimizer - --clipping_value Clipping value for the gradient clipping process - --resume_iters Resume training from this step for fine tuning if desired + --batch_size Batch size for the training + --epoch Epoch number for Training + --g_lr Learning rate for G + --d_lr Learning rate for D + --beta1 Beta1 for Adam optimizer + --beta2 Beta2 for Adam optimizer + --resume Whether to resume training + --resume_epoch Resume training from this epoch + --resume_iter Resume training from this step + --resume_directory Load pretrained weights from this directory + --set_seed Whether to set seed + --seed Seed for reproducibility + --use_wandb Whether to use wandb for logging + --online Use wandb online + --exp_name Name for the experiment Dataset arguments: - --features FEATURES Additional node features (Boolean) (Please check new_dataloader.py Line 102) + --features Additional node features (Boolean) (Please check new_dataloader.py Line 102) ``` @@ -226,6 +208,7 @@ Dataset arguments: ## Molecule Generation Using Trained DrugGEN Models in the Inference Mode +- If you want to generate molecules using pre-trained models, it is recommended to use [Hugging Face](https://huggingface.co/spaces/HUBioDataLab/DrugGEN). Alternatively, - First, download the weights of the chosen trained model from [trained models](https://drive.google.com/drive/folders/1biJLQeXCKqw4MzAYwOuJU6Aw5GIQlJMY), and place it in the folder: "DrugGEN/experiments/models/". - After that, please run the code below: @@ -233,32 +216,51 @@ Dataset arguments: ```bash -python DrugGEN/main.py --submodel="{Chosen model name}" --mode="inference" --inference_model="DrugGEN/experiments/models/{Chosen model name}" +python DrugGEN/inference.py --submodel="{Chosen model name}" --inference_model="DrugGEN/experiments/models/{Chosen model name}" ``` - SMILES representation of the generated molecules will be saved into the file: "DrugGEN/experiments/inference/{Chosen model name}/denovo_molecules.txt". +  +  + +## Deep Learning based Bioactivity Prediction + +- If you want to re-produce bioactivity predictions of de novo molecules against AKT1 protein using DEEPScreen, first download the model from [this link](https://drive.google.com/file/d/1aG9oYspCsF9yG1gEGtFI_E2P4qlITqio/view?usp=drive_link). + +- After that, unzip the compresssed file and follow the instrcutions below. + + +```bash + +cd DEEPScreen2.1/chembl_31 + +python 8_Prediction.py AKT AKT +``` + +- Results will be saved into "DEEPScreen2.1/prediction_files/prediction_output" folder. + +     ## Results (De Novo Generated Molecules of DrugGEN Models) -- SMILES notations of 50,000 de novo generated molecules from DrugGEN models (10,000 from each) can be downloaded from [here](results/generated_molecules). -- We first filtered the 50,000 de novo generated molecules by applying Lipinski, Veber and PAINS filters; and 43,000 of them remained in our dataset after this operation ([SMILES notations of filtered de novo molecules](results/generated_molecules/filtered_all_generated_molecules.smi)). -- We run our deep learning-based drug/compound-target protein interaction prediction system [DEEPScreen](https://pubs.rsc.org/en/content/articlehtml/2020/sc/c9sc03414e) on 43,000 filtered molecules. DEEPScreen predicted 18,000 of them as active against AKT1, 301 of which received high confidence scores (> 80%) ([SMILES notations of DeepScreen predicted actives](results/deepscreen)). -- At the same time, we performed a molecular docking analysis on these 43,000 filtered de novo molecules against the crystal structure of [AKT1](https://www.rcsb.org/structure/4gv1), and found that 118 of them had sufficiently low binding free energies (< -9 kcal/mol) ([SMILES notations of de novo molecules with low binding free energies](results/docking/Molecules_th9_docking.smi)). -- Finally, de novo molecules to effectively target AKT1 protein are selected via expert curation from the dataset of molecules with binding free energies lower than -9 kcal/mol. The structural representations of the selected molecules are shown in the figure below ([SMILES notations of the expert selected de novo AKT1 inhibitor molecules](results/docking/Selected_denovo_AKT1_inhibitors.smi)). +The system is trained to design effective inhibitory molecules against the AKT1 protein, which has critical importance for developing treatments against various types of cancer. SMILES notations of the de novo generated molecules from DrugGEN models, along with their deep learning-based bioactivity predictions (DeepScreen), docking and MD analyses, and filtering outcomes, can be accessed under the [paper_results](paper_results) folder. The structural representations of the final selected molecules are depicted in the figure below. ![structures](assets/Selected_denovo_AKT1_inhibitors.png) -Fig. 2. Promising de novo molecules to effectively target AKT1 protein (generated by DrugGEN models), selected via expert curation from the dataset of molecules with sufficiently low binding free energies (< -9 kcal/mol) in the molecular docking experiment. +**Fig. 2.** Promising de novo molecules to effectively target AKT1 protein (generated by DrugGEN model), selected via expert curation from the dataset of molecules with sufficiently low binding free energies (< -8 kcal/mol) in the molecular docking experiment.     ## Updates +- 26/07/2024: DrugGEN pre-print is updated for v1.5 release. +- 04/06/2024: DrugGEN v1.5 is released. +- 30/01/2024: DrugGEN v1.0 is released. - 15/02/2023: Our pre-print is shared [here](https://github.com/HUBioDataLab/DrugGEN/files/10828402/2302.07868.pdf). -- 01/01/2023: Five different DrugGEN models are released. +- 01/01/2023: DrugGEN v0.1 is released.     @@ -276,7 +278,7 @@ Fig. 2. Promising de novo molecules to effectively target AKT1 protein (generate } ``` -Ünlü, A., Çevrim, E., Sarıgün, A., Çelikbilek, H., Güvenilir, H.A., Koyaş, A., Kahraman, D.C., Olğaç, A., Rifaioğlu, A., Doğan, T. (2023). Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks. *arXiv preprint* arXiv:2302.07868. +Ünlü, A., Çevrim, E., Sarıgün, A., Yiğit, M.G., Çelikbilek, H., Bayram, O., Güvenilir, H.A., Koyaş, A., Kahraman, D.C., Olğaç, A., Rifaioğlu, A., Banoğlu, E., Doğan, T. (2023). Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks. *arXiv preprint* arXiv:2302.07868.   @@ -289,7 +291,6 @@ In each file, we indicate whether a function or script is imported from another - Molecule generation GAN schematic was inspired from [MolGAN](https://github.com/yongqyu/MolGAN-pytorch). - [MOSES](https://github.com/molecularsets/moses) was used for performance calculation (MOSES Script are directly embedded to our code due to current installation issues related to the MOSES repo). - [PyG](https://github.com/pyg-team/pytorch_geometric) was used to construct the custom dataset. -- Transformer architecture was taken from [Vaswani et al. (2017)](https://arxiv.org/abs/1706.03762). - Graph Transformer Encoder architecture was taken from [Dwivedi & Bresson (2021)](https://arxiv.org/abs/2012.09699) and [Vignac et al. (2022)](https://github.com/cvignac/DiGress) and modified. Our initial project repository was [this one](https://github.com/asarigun/DrugGEN). @@ -298,7 +299,7 @@ Our initial project repository was [this one](https://github.com/asarigun/DrugGE   ## License -Copyright (C) 2023 HUBioDataLab +Copyright (C) 2024 HUBioDataLab This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. diff --git a/assets/DrugGEN_Figure.png b/assets/DrugGEN_Figure.png new file mode 100644 index 0000000..b38f1d6 Binary files /dev/null and b/assets/DrugGEN_Figure.png differ diff --git a/assets/DrugGEN_Figure1.gif b/assets/DrugGEN_Figure1.gif deleted file mode 100644 index 63ec62c..0000000 Binary files a/assets/DrugGEN_Figure1.gif and /dev/null differ diff --git a/assets/DrugGEN_Figure1_1.gif b/assets/DrugGEN_Figure1_1.gif deleted file mode 100644 index 5594b11..0000000 Binary files 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+CHEMBL3916957,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5-c6ccc(F)cc6 +CHEMBL3944868,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5-c6c(F)cccc6 +CHEMBL380004,CCc1c(C)c([nH]c1C)CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL3684500,c1ccccc1-c2cn(c(=O)[nH]2)C3CCN(CC3)Cc4ccc(cc4)-c(nn5)n6c(cccn7)c7Nc(c8c56)cccc8 +CHEMBL3640742,CCC(=O)N1CCN(CC1)c(ccc2)cc2-c(cc3)nc(c34)n(c(n4)-c5c(N)nccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3640741,CC(=O)NC1CCN(CC1)c(ccc2)cc2-c(cc3)nc(c34)n(c(n4)-c5c(N)nccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3684492,c1cccc(OC)c1NC(=O)NC2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3684537,n1ccccc1-c2nnc([nH]2)C3CCN(CC3)Cc4ccc(cc4)-c(nn5)n6c(cccn7)c7Nc(c8c56)ccc(Br)c8 +CHEMBL3684482,c1cccc(Cl)c1CNC(=O)NC2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3897512,C1CC1CN2CCN(CC2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc6csc(n6)-c7nncn7[C@H](C(F)(F)F)C +CHEMBL3640734,CC(=O)OC(C)(C)C(=O)Nc(ccc1)cc1-c(cc2)nc(c23)n(c(n3)-c4c(N)nccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL210237,c1cccc(c12)[nH]cc2CC(C)(C)C3C(=O)Nc(c34)ccc(c4)-c5cc(cnc5)OC[C@@H](N)Cc6c[nH]c(c67)cccc7 +CHEMBL3924482,FC(F)(F)[C@H](C)n1cnnc1-c(n2)scc2NC(=O)c3cc(-n(cn4)cc4C5CC5)c(cn3)N(C6)CC6N7CCOCC7 +CHEMBL3986416,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(cc3-c(c4)ccc(F)c4C(F)(F)F)CCN(C)Cc5ccccc5 +CHEMBL3908356,CNC(=O)C1CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc5csc(n5)-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3926976,C1OC(=O)N(C12)CCN(C2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc(cs6)nc6-c7nncn7[C@H](C(F)(F)F)C +CHEMBL3979190,O=C(O)c1ccc(cc1)-c2c(N)ncnc2N(CC3)CCC3c(n4)n(CCN(C)C)cc4-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3976987,FC(F)(F)C1CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc5csc(n5)-c6nncn6[C@H](C(F)(F)F)C +CHEMBL272292,c1ccccc1-c(n2)c(nc(c23)ccc(c3)C(=O)O)-c(cc4)ccc4CN(CC5)CCC5n6c(=O)[nH]c(c67)cccc7 +CHEMBL404555,c1ccccc1-c(c2)c(nc(c23)nc(C#N)nc3)-c(cc4)ccc4CN(CC5)CCC5c([nH]6)nnc6-c7ccccn7 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+CHEMBL208761,CC1C(=O)Nc(c12)ccc(c2)N[C@@H](Cc3c[nH]c(c34)cccc4)COc(cnc5)cc5-c(c6)ccc(c67)NC(=O)C7C +CHEMBL3979677,C1CCN(C12)CCN(C2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc(cs6)nc6-c7nncn7[C@H](C(F)(F)F)C +CHEMBL3684373,n1ccccc1-c2nnc([nH]2)C3CCN(CC3)Cc4ccc(cc4)-c(nn5)n6c(cccn7)c7Nc(c8c56)cccc8 +CHEMBL3899813,CN(C1)CC(C12)CN(C2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc6csc(n6)-c7nncn7[C@H](C(F)(F)F)C +CHEMBL3961404,C1OCC12CCN(CC2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc6csc(n6)-c7nncn7[C@H](C(F)(F)F)C +CHEMBL3684441,c1cnccc1-c2nnc([nH]2)C3CCN(CC3)Cc4ccc(cc4)-c(nn5)n6c(cccn7)c7Nc(c8c56)cccc8 +CHEMBL3684477,Cc1ccc(cc1)NC(=O)NC2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3893936,COC1(C)CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc(cs5)nc5-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3925596,C1CC1N2CCN(CC2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc6csc(n6)-c7nncn7[C@H](C(F)(F)F)C +CHEMBL3903522,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5-c6ccc(F)cc6 +CHEMBL3649665,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c(c4C(=O)OC)cccc4)c(c35)nc(cc5)-c6cc(ccc6)N7CCOCC7 +CHEMBL404553,c1ccccc1-c(c2)c(nc(c23)nc(nc3)SC)-c(cc4)ccc4CN(CC5)CCC5c(on6)nc6-c7cccnc7 +CHEMBL3684491,s1cccc1CCNC(=O)NC2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL1760758,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CCN(CC3)c4ncnc(c45)[nH]cc5C +CHEMBL3684439,n1ccccc1-c2nnc([nH]2)C3CCN(CC3)Cc4ccc(cc4)-c(nn5)n6c(cccc7)c7Nc(c8c56)cccc8 +CHEMBL3684474,c1cc(F)ccc1NC(=O)NC2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3684476,c1cccc(F)c1NC(=O)NC2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3684487,c1ccc(F)cc1NC(=O)NC2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL446134,c1ccccc1-c(c2)c(nc(c23)CCNC3=O)-c(cc4)ccc4CN(CC5)CCC5c([nH]6)nnc6-c7ccccn7 +CHEMBL260184,c1ccccc1-c(c2)c(nc(c23)nccc3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)cc6-c7ccc(=O)[nH]c7 +CHEMBL262341,c1ccccc1C(=CC(C=23)C(=O)N=CC2)C(=N3)c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ccccn7 +CHEMBL3672032,CC(C)c(n1)nn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c(n7)cccc7C +CHEMBL3672060,c1cc(F)ccc1-c(cn(c23)ccn2)c(n3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c(n7)cccc7C +CHEMBL253693,Nc1ncnc(c12)n(nc2)C3CCN(CC3)Cc4ccc(cc4)-c(nc(c56)nc(nc6)SC)c(c5)-c7ccccc7 +CHEMBL255835,c1ccccc1-c(c2)c(nc(c23)ncnc3N)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)cc6-c7ccncc7 +CHEMBL3672053,c1ccc(F)cc1-c(cn(c23)nc(n2)C)c(n3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ccccn7 +CHEMBL3672065,c1cccc(F)c1-c(cn(c23)ccn2)c(n3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c(n7)cccc7C +CHEMBL3672031,CC(C)c(n1)nn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(CC5)CCC5c(n6)cnc(c67)cccc7 +CHEMBL3672048,c1ccccc1-c(c(NC)n(c23)nc(n2)C)c(n3)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c(n7)cccc7C +CHEMBL3672091,COC(=O)c(n1)cn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c7ccccn7 +CHEMBL3672041,Cc1cccc(n1)-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(-c6ccccc6)cn(c57)nc(n7)C8CC8 +CHEMBL3672072,c1ccccc1-c(c(NC)n(c23)cc(n2)C)c(n3)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c(n7)cccc7C +CHEMBL401999,c1ccccc1-c(c2)c(nc(c23)nc(N)nc3N)-c(cc4)ccc4CN(CC5)CCC5n6c(=O)[nH]c(c67)cccc7 +CHEMBL3672040,c1cccc(c12)ncc(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(-c6ccccc6)cn(c57)nc(n7)C8CC8 +CHEMBL270815,c1ccccc1-c(c2)c(nc(c23)nc(O)nc3N)-c(cc4)ccc4CN(CC5)CCC5n6c(=O)[nH]c(c67)cccc7 +CHEMBL447114,c1ccccc1-c(c2)c(nc(c23)cc[nH]c3=O)-c(cc4)ccc4CN(CC5)CCC5c([nH]6)nnc6-c7ncccn7 +CHEMBL444136,c1ccccc1-c(c2)c(nc(c23)cc[nH]c3=O)-c(cc4)ccc4CN(CC5)CCC5c([nH]6)nnc6-c7cnccn7 +CHEMBL182101,c1cccc(c12)[nH]c(=O)n2C3CCN(CC3)Cc4ccc(cc4)-c(nc5)c(-c6ccccc6)cc5-c7nnnn7C +CHEMBL3672036,c1cc(F)cc(F)c1-c(cn(c23)nc(n2)C)c(n3)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c(n7)cccc7C +CHEMBL3672094,OCc1cnn(c12)cc(-c3c(F)cccc3F)c(n2)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c7ccccn7 +CHEMBL3672079,c1ccccc1-c(c(NC(C)C)n(c23)ccn2)c(n3)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c7ccccn7 +CHEMBL3672086,CSc(n1)nn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ncccn7 +CHEMBL3672044,CC(C)Nc(n1)nn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c7ccccn7 +CHEMBL3672085,CSc(n1)nn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ccccn7 +CHEMBL3672064,c1cc(F)ccc1-c(cn(c23)c(Cl)cn2)c(n3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ccccn7 +CHEMBL3672087,CSc(n1)nn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7cnccn7 +CHEMBL211065,Cc1c(C)oc(c1)CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL4128457,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(c56)NC(=O)C[C@H]6C +CHEMBL1760761,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CCN(C3)c4ncnc(c45)[nH]nc5C +CHEMBL1760759,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CCN(C3)c4ncnc(c45)[nH]cc5C +CHEMBL3904498,COC1CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc5csc(n5)-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3684444,c1cccc(OC)c1C(=O)N2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3684335,c1cccc(c12)[nH]c(=O)n2C3CCN(CC3)Cc4ccc(cc4)-c(nn5)n6c(cccn7)c7Nc(c8c56)cccc8 +CHEMBL3684449,[C-]#[N+]c(cc1)ccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3933645,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4-c5ccc(F)cc5 +CHEMBL3640746,C[C@@H]1CN(C[C@@H](O1)C)c(ccc2)cc2-c(cc3)nc(c34)n(c(n4)-c5c(N)nccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3913067,FC(F)(F)c1c(F)cc(cc1)-c2cn(CCN(CC3)CCC3(F)F)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3640747,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)nc(cc5)-c6cc(ccc6)N(CC7)CCS7(=O)=O +CHEMBL3672017,c1cc(C(F)(F)F)cc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)ncc6)-c7ccccc7 +CHEMBL395080,C1COCCN1c(cc2)ccc2NC(=O)Cc(cc3)cc(NC4=O)c3Nc(c45)cc(cc5)-c6cc(OC)c(N)cc6 +CHEMBL1760764,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CCN(C3)c4ncnc(N)c4C5CC5 +CHEMBL1760762,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CCN(C3)c4ncnc(c45)cccc5 +CHEMBL3953443,FC(F)(F)CN1CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc5csc(n5)-c6nncn6C7CC7 +CHEMBL3950042,FC(F)(F)c1c(F)cc(cc1)-c2cn(CCN(C3)CCCC3(F)F)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3891427,C1CCCCN1CCn(cc2-c(cc3)cc(F)c3C(F)(F)F)c(n2)C4CCN(CC4)c5ncnc(N)c5C6CCC6 +CHEMBL3917308,N#CC1CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc(cs5)nc5-c6nncn6[C@H](C(F)(F)F)C +CHEMBL4171390,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OCC)nc4-c5cc(OC)c(cc5)OC +CHEMBL3963052,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(C)CCN(C)C)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3895450,FC(F)(F)COc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3973946,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4-c5ccc(N)nc5 +CHEMBL3922652,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4-c5cnc(N)nc5 +CHEMBL3684438,c1cccc(c12)[nH]c(=O)n2C3CCN(CC3)Cc4ccc(cc4)-c(nn5)n6c(cccc7)c7Nc(c8c56)cccc8 +CHEMBL255360,Nc1ncnc(c12)n(cn2)C3CCN(CC3)Cc4ccc(cc4)-c(c(c5)-c6ccccc6)nc(c57)ncnc7N +CHEMBL402579,c1cccc(c12)n(c(n2)C)C3CCN(CC3)Cc4ccc(cc4)-c(c(c5)-c6ccccc6)nc(c57)ncnc7N +CHEMBL402199,c1ccccc1-c(c2)c(nc(c23)ncnc3N)-c(cc4)ccc4CN(CC5)CCC5n6c(=O)[nH]c(c67)cccc7 +CHEMBL259967,c1ccccc1-c(c2)c(nc(c23)ccnc3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ccccn7 +CHEMBL407733,c1ccccc1-c(c2)c(nc(c23)nccc3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)cc6-c7cccnc7 +CHEMBL259982,c1ccccc1-c(c2)c(nc(c23)nccc3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)cc6-c7ccccn7 +CHEMBL3672068,c1ccccc1-c(cn(c23)c(Br)c(n2)C)c(n3)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c(n7)cccc7C +CHEMBL253458,Nc1ncnc(c12)n(nc2)C3CCN(CC3)Cc4ccc(cc4)-c(c(c5)-c6ccccc6)nc(c57)ncnc7N +CHEMBL261540,c1ccccc1-c(c2)c(nc(c23)nccc3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)cc6-c7ccncc7 +CHEMBL252856,c1cnccc1NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c(nc(c45)nc(nc5)SC)c(c4)-c6ccccc6 +CHEMBL253457,c1cc(F)cc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(c(c5)-c6ccccc6)nc(c57)ncnc7N +CHEMBL401622,c1ccccc1-c(c2)c(nc(c23)n(C)nc3N)-c(cc4)ccc4CN(CC5)CCC5n6c(=O)[nH]c(c67)cccc7 +CHEMBL178468,c1ccccc1-c(n2)c(nc(O)c2CC(C)C)-c(cc3)ccc3CN(CC4)CCC4n(c(n5)O)c(c56)cccc6 +CHEMBL3679634,c1ncccc1CC(=O)NC2(CCC2)c3ccc(cc3)-c(c(c4)-c5ccccc5)nc(c46)ccc(=N)n6C(=O)N +CHEMBL3639709,n1ccccc1-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(-c6ccccc6)cn(c57)nc(n7)C8CC8 +CHEMBL3672042,CCc1cnn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c(n7)cccc7C +CHEMBL3672046,c1ccccc1-c(c(C)n(c23)nc(n2)C)c(n3)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c(n7)cccc7C +CHEMBL3672030,CC(C)c(n1)nn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c7ccccn7 +CHEMBL362016,CC(C)Cc1c(O)nc(-c2ccccc2)c(n1)-c(cc3)ccc3CN(CC4)CCC4n(c(n5)O)c(c56)cccc6 +CHEMBL594072,c1cccc(c12)[nH]c(C(=O)N)c2C[C@H](N)COc(c(n3)N)cc(c3-c(c4C)cco4)-c(n5)cnc(c56)[nH]nc6C +CHEMBL259968,c1ccccc1-c(c2)c(nc(c23)cncc3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ccccn7 +CHEMBL3672061,c1cc(F)ccc1-c(cn(c23)ccn2)c(n3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ccccn7 +CHEMBL3672020,c1cc(C#N)cc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)nc(n6)C)-c7ccccc7 +CHEMBL260670,c1ccccc1-c(c2)c(nc(c23)nccc3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ccccn7 +CHEMBL259753,c1ccccc1-c(c2)c(nc(c23)cccn3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7ccccn7 +CHEMBL3672070,n1ccccc1-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(c(NC)n(c56)c(Br)cn6)-c7ccccc7 +CHEMBL3672083,CSc(n1)nn(c12)cc(-c3ccccc3)c(n2)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c(n7)cccc7C +CHEMBL3672071,n1ccccc1-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(c(NC)n(c56)cc(n6)C)-c7ccccc7 +CHEMBL261542,c1ccccc1-c(nc(c23)cccc2)c(n3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)cc6-c7ccncc7 +CHEMBL210034,c1ccccc1CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL209231,c1cccc(c12)[nH]cc2C[C@H](Nc(c3)ccc(c34)[nH]c(n4)O)COc(cnc5)cc5-c(c6)ccc(c67)[nH]c(n7)O +CHEMBL3965271,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5-c6cc[nH]c6 +CHEMBL3941451,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5-c6cnoc6 +CHEMBL3895298,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4-c5ccncc5 +CHEMBL3672062,c1cc(F)ccc1-c(cn(c23)ccn2)c(n3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)nc6-c7cnccn7 +CHEMBL3640733,CC(C)(C)C(=O)Nc(ccc1)cc1-c(cc2)nc(c23)n(c(n3)-c4c(N)nccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3672531,COC(=O)c1ccc(cn1)-c(cc2)cc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL4160580,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OC)nc4-c5cc(OC)c(cc5)OC +CHEMBL211690,c1ncccc1CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL1760760,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCC23CCN(C3)c4ncnc(c45)[nH]nc5C +CHEMBL3893968,C1CC1c2cn(cn2)-c(c(cn3)N(C4)CC4(C#N)C)cc3C(=O)Nc5csc(n5)-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3640735,CC(C)(O)C(=O)Nc(ccc1)cc1-c(cc2)nc(c23)n(c(n3)-c4c(N)nccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3965033,FC(F)(F)COc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(ccn5)cc5C(F)(F)F +CHEMBL3684496,c1cccc(c12)[nH]cc2C3CCN(CC3)Cc4ccc(cc4)-c(nn5)n6c(cccn7)c7Nc(c8c56)cccc8 +CHEMBL211434,c1cccc(c12)[nH]cc2C[C@H](Nc(cc3)nc(c34)NC(=O)C4)COc(cnc5)cc5-c(cc6)nc(c67)NC(=O)C7 +CHEMBL212566,c1cccc(c12)[nH]cc2C[C@H](Nc(c3)ccc(c34)NC(=O)C4)COc(cnc5)cc5-c(c6)ccc(c67)NC(=O)C7 +CHEMBL209281,c1cccc(c12)[nH]cc2C[C@H](Nc(cc3)cc(c34)oc(n4)O)COc(cnc5)cc5-c(cc6)cc(c67)oc(n7)O +CHEMBL367601,Cc(c1)ccc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(nc5)c(-c6ccccc6)cc5-c7nn[nH]n7 +CHEMBL3684451,c1cccc(F)c1C(=O)N2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3924518,FC(F)(F)C1CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc5csc(n5)-c6nncn6C7CC7 +CHEMBL2016887,c1ccccc1NC(=O)c2cc(NCCN3CCCC3)c(C)c(c2)N(CC4)CCN4c5ncnc(c56)[nH]nc6Br +CHEMBL3640737,C[C@@H](O)CNC(=O)c1cc(ccc1)-c(cc2)nc(c23)n(c(n3)-c4c(N)nccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3923786,C=C(C)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3672525,c1ccc(S(=O)(=O)C)cc1-c(cc2)cc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3640749,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)nc(cc5)Nc6ccc(cc6)N7CCOCC7 +CHEMBL1095285,FC(F)(F)c1cc(ccc1)C[C@@H](N)COc(cnc2)cc2-c(c3)nc(N)c4cnc(c5c34)cc(OC)c(c5)OC +CHEMBL3672540,C1CCC1(N)c2ccc(cc2)-c(c(c3)-c4ccccc4)nc5n3nc(c56)ccc(c6)-c7ccc(cc7)S(=O)(=O)N +CHEMBL3640736,C[C@H](O)CNC(=O)c1cc(ccc1)-c(cc2)nc(c23)n(c(n3)-c4c(N)nccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3927188,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5-c6cn[nH]c6 +CHEMBL3986247,C1COCCN1C2CN(C2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc6csc(n6)-c7nncn7C8CC8 +CHEMBL3649680,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4ccc(cc4)OC)c(c35)nc(cc5)-c6cc(ccc6)N7CCOCC7 +CHEMBL3897576,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(C)CCOC)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3908831,FC(F)(F)c1c(F)cc(cc1)-c2cn(CCN(CC3)CCC3F)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL1684800,COc(cc1)ccc1Cn(nc2)c(N)c2NC(=O)c3c(C)ccc(c3)NC(=O)Nc(c4)ccc(Cl)c4C(F)(F)F +CHEMBL181730,c1c(F)ccc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(nc5)c(-c6ccccc6)cc5-c7nn[nH]n7 +CHEMBL426140,Cc(o1)ccc1CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL3912087,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(C)CCN(C)C)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL1760763,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CCN(C3)c(c4C5CC5)ncnc4 +CHEMBL270847,c1cccc(c12)[nH]c(=O)n2C3CCN(CC3)Cc4ccc(cc4)-c(nc5)c(-c6ccccc6)cc5-c7nnn[nH]7 +CHEMBL1098302,FC(F)(F)c1cc(ccc1)C[C@H](N)COc(cnc2)cc2-c(c3)nc(N)c4cnc(c5c34)cc(OC)c(c5)OC +CHEMBL3672519,CS(=O)(=O)c(cc1)ccc1-c(cc2)cc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL379963,Cn1cccc1CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL1761089,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CCc4c(O3)cc5c(c4)C(=O)NC5 +CHEMBL3953748,COC1(C)CN(C1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc5csc(n5)-c6nncn6[C@H](C(F)(F)F)C +CHEMBL429703,c1ccccc1-c(c2)c(nc(c23)nccc3)-c(cc4)ccc4CN(CC5)CCC5c(n[nH]6)cc6-c7ccccc7 +CHEMBL3909615,COC1CCN(C1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc5csc(n5)-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3963748,C1OC(=O)N(C12)CCN(C2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc(cs6)nc6-c7nncn7C8CC8 +CHEMBL3978053,C1CC1CN2CCN(CC2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc6csc(n6)-c7nncn7C8CC8 +CHEMBL209503,c1cccc(c12)[nH]cc2C[C@H](Nc(cc3)cc(c34)sc(n4)O)COc(cnc5)cc5-c(cc6)cc(c67)sc(n7)O +CHEMBL3973744,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C3)CCC3(F)F)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3946920,COCC1CN(C1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc5csc(n5)-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3917106,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC(C)COC)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3930015,C1CC1c2cn(cn2)-c(c(cn3)N(C4)CC4C(F)F)cc3C(=O)Nc5csc(n5)-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3961734,C1CC1c2cn(cn2)-c(c(cn3)N(C4)CCC4(F)F)cc3C(=O)Nc(cs5)nc5-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3954144,C1COCCCN1c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc(cs5)nc5-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3672534,COC(=O)c1cc(ccc1)-c(c2)ccc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3951639,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC4CCCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL211774,n1ccccc1CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL3703153,c1cccc(c12)C(=O)N(C2=O)CCOc(n3)ccn(c34)c(-c5ccccc5)c(n4)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3969572,CNC(=O)C1CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc(cs5)nc5-c6nncn6C7CC7 +CHEMBL3915954,FC(F)(F)c1c(F)cc(cc1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C6CCC6 +CHEMBL3976022,FC(F)(F)c1c(F)cc(cc1)-c2cn(CCN(C3)CCCC3F)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3962884,C1CC1c2cn(cn2)-c(c(cn3)N(CC4)CCC4F)cc3C(=O)Nc(cs5)nc5-c6nncn6[C@H](C(F)(F)F)C +CHEMBL3980207,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3983708,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC(C)(C)CC)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL605410,c1cccc(c12)[nH]c(C#N)c2C[C@H](N)COc(c(n3)N)cc(c3-c(c4C)cco4)-c(n5)cnc(c56)[nH]nc6C +CHEMBL3672069,n1ccccc1-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(c(NC)n(c56)ccn6)-c7ccccc7 +CHEMBL2177837,c1ccc(F)cc1C(=O)NCc2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)nc(cc5)-c6cccnc6 +CHEMBL3672011,c1cc(C#N)cc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)ccn6)-c7ccccc7 +CHEMBL3672014,c1cc(F)cc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)nc(n6)C)-c7ccccc7 +CHEMBL3672045,n1ccccc1-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(c(C)n(c56)nc(n6)C)-c7ccccc7 +CHEMBL3672022,Nc1ncnc(c12)n(nc2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)nc(n6)C)-c7ccccc7 +CHEMBL3672092,c1ccccc1-c(cn(c23)cc(n2)CO)c(n3)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c7ccccn7 +CHEMBL3672038,c1ccccc1-c(cn(c23)cc(n2)C)c(n3)-c(cc4)ccc4CN(C5)CC5c6nc([nH]n6)-c(n7)cccc7C +CHEMBL3672024,c1ccccc1-c(cn(c23)nc(n2)C)c(n3)-c(cc4)ccc4CN(C5)CCC5c6nc([nH]n6)-c7ccccn7 +CHEMBL3672037,c1cccc(c12)ncc(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)cc(n6)C)-c7ccccc7 +CHEMBL3672013,c1cc(C#N)cc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)ncc6)-c7ccccc7 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+CHEMBL3640732,C1CC1C(=O)Nc(ccc2)cc2-c(cc3)nc(c34)n(c(n4)-c5c(N)nccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL2063990,c1ccc(OC)c(OC)c1\C=C\C(=O)C(=Cc2cc(OC)c(O)cc2)C(=O)/C=C/c3c(OC)c(OC)ccc3 +CHEMBL3950150,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4C5=CCCC5 +CHEMBL3904712,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5OC(C)C +CHEMBL2016893,C1CCCN1CCNc(cc2C(=O)CCC(F)(F)F)c(C)c(c2)N(CC3)CCN3c4ncnc(c45)[nH]nc5Br +CHEMBL3672541,OCc1c(F)ccc(c1)-c(c2)ccc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3672035,c1cccc(c12)ncc(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)ccn6)-c7ccc(F)cc7 +CHEMBL3672524,c1cc(F)c(OC)cc1-c(cc2)cc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3903026,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4\C=C\C5CC5 +CHEMBL3672043,n1ccccc1-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(-c6ccccc6)cn(c57)nc(n7)NC +CHEMBL3649683,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4ccc(Cl)cc4)c(c35)nc(cc5)-c6cc(ccc6)N7CCOCC7 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+CHEMBL3649666,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c(c4C)cccc4)c(c35)nc(cc5)-c6cc(ccc6)N7CCOCC7 +CHEMBL3913301,CC(=O)Nc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3960355,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC4CCCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3973753,C1COCCC12CN(C2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc6csc(n6)-c7nncn7C8CC8 +CHEMBL3957688,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNCCOC)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3948895,C1OCC12CCN(CC2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc6csc(n6)-c7nncn7C8CC8 +CHEMBL3649681,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4cc(F)ccc4)c(c35)nc(cc5)-c6cc(ccc6)N7CCOCC7 +CHEMBL207139,N1CCCC1CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL3972216,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C=C +CHEMBL3931709,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4CN(C)CC +CHEMBL3964706,C1CCN(C12)CCN(C2)c(cn3)c(-n(cn4)cc4C5CC5)cc3C(=O)Nc(cs6)nc6-c7nncn7C8CC8 +CHEMBL3684507,Cc1ccc(cc1)S(=O)(=O)NC2(CCC2)c3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3942949,FC(F)(F)c1ccc(cc1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C6CCC6 +CHEMBL3948660,FC(F)(F)c1c(F)cc(cc1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C6CCC6 +CHEMBL4169791,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OCC)nc4-c5ccc(cc5)OC +CHEMBL3679635,C1CC1[C@@]2(O)C[C@](C2)(N)c3ccc(cc3)-c(c(c4)-c5ccccc5)nc(cc6)c4n(c67)c(nn7)C8NCNN8 +CHEMBL210940,c1[nH]ccc1CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL577567,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)NC(=O)C5c([nH]c6C)c(C)c6CC +CHEMBL3973987,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4/C=C/OCC +CHEMBL3897534,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4CCC5CC5 +CHEMBL300138,n1ccccc1CN(CC2)CCC2n(c(c34)cccc4)cc3C(C(=O)NC5=O)=C5c6cn(C)c(c67)cccc7 +CHEMBL494060,n1onc(N)c1-c(n2)n(CC)c(c23)c(cnc3C#CC(C)(C)O)OCCCNCCc4ccc(cc4)OC +CHEMBL3672019,Nc1ncnc(c12)n(nc2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)ncc6)-c7ccccc7 +CHEMBL3667042,c1ccccc1-c(cn(c23)nc(n2)C)c(n3)-c(cc4)ccc4CN(C5)CC5c6nnc([nH]6)-c7ccccn7 +CHEMBL4519558,CC(=O)Nc(ccc1)cc1-c(cc2)nc(c23)n(c(n3)-c4c(N)nccc4)-c(cc5)ccc5C6(N)CCC6.Cl +CHEMBL3672023,c1ccnc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)nc(n6)C)-c7ccccc7 +CHEMBL3672034,n1ccccc1-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(cn(c56)ccn6)-c7ccc(F)cc7 +CHEMBL3672012,c1cccc(c12)ncc(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)ccn6)-c7ccccc7 +CHEMBL3672067,n1ccccc1-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(cn(c56)cc(n6)C)-c7ccccc7 +CHEMBL2178598,FC(F)(F)c1c(F)cc(cc1)[C@@H](CNC(C)(C)CO)C(=O)N2CCN(CC2)c3ncnc(c34)[C@H](O)C[C@H]4C +CHEMBL3701774,OCCNC(=O)c(c1)ccc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL3701775,CCONC(=O)c(c1)ccc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL3667044,c1ccccc1-c(cn(c23)c(Cl)cn2)c(n3)-c(cc4)ccc4CN(C5)CC5c6nnc([nH]6)-c7ccccn7 +CHEMBL3701740,COc1cc(OC)cc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(O)C7CC7 +CHEMBL2177835,c1ccccc1C(=O)NCc2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)nc(cc5)-c6ccccc6 +CHEMBL2177829,c1ccccc1NC(=O)Cc2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)nc(cc5)-c6cccnc6 +CHEMBL2177831,c1ccccc1C(=O)NCc2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)ncc(c5)-c6cccnc6 +CHEMBL593813,c1cccc(c12)[nH]c(Cl)c2C[C@H](N)COc(c(n3)N)cc(c3-c(c4C)cco4)-c(n5)cnc(c56)[nH]nc6C +CHEMBL3679631,c1ccccc1C(=N)n2c(=N)ccc(c23)nc(c(c3)-c4ccccc4)-c(cc5)ccc5C6(N)CC(F)(F)C6 +CHEMBL2177832,c1ccccc1C(=O)NCc2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)nc(cc5)-c6cccnc6 +CHEMBL3701773,CCONC(=O)c(cc1)cc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL3672066,n1ccccc1-c([nH]n2)nc2C3CN(C3)Cc4ccc(cc4)-c(n5)c(cn(c56)c(Br)cn6)-c7ccccc7 +CHEMBL3701772,OCCNC(=O)c(cc1)cc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL2016888,C1CCCN1CCNc(cc2COCC(F)(F)F)c(C)c(c2)N(CC3)CCN3c4ncnc(c45)[nH]nc5Br +CHEMBL3649684,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4ncccn4)c(c35)nc(cc5)-c6cc(ccc6)N7CCOCC7 +CHEMBL3684509,c1cc(F)ccc1C(=O)NC2(CCC2)c3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3684512,c1cc(Cl)cc(c12)[nH]c(n2)CCNCc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3901251,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CCCN4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3977344,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CN(C)C4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3970663,Cc1c(F)ccc(c1)-c2cn(CCNC(C)(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4-c5cn[nH]c5 +CHEMBL3910716,FC(F)(F)c1c(F)ccc(c1)-c2cn(C)c(n2)C3CCN(CC3)c4ncnc(N)c4-c(cc5)ccc5CO +CHEMBL3949501,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3956468,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCCC3)c(n2)C4CCN(CC4)c5ncnc(c5Br)N +CHEMBL3672018,c1cc(F)cc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)ncc6)-c7ccccc7 +CHEMBL3903066,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNCCOC)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3912471,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCNC(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4OCC +CHEMBL3983416,FC(F)(F)c1c(F)cc(cc1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3954717,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c5cc(OC(F)F)c(F)cc5 +CHEMBL2177830,c1ccccc1C(=O)NCc2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)ncc(c5)-c6ccccc6 +CHEMBL378211,c1ccccc1C#Cc(c2)ncc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL1761087,N#Cc(c1)ccc(O2)c1CCC23CCCN(C3)C[C@H](O)CN(CCOCC)S(=O)(=O)c(c4C)c(C)ccc4 +CHEMBL3684498,c1ccccc1OC2CCCN(C2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3890270,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C3)CC3F)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3964344,FC(F)(F)c1c(F)cc(cc1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C=C +CHEMBL3927446,FC(F)(F)c1cc(ccn1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5OC(C)C +CHEMBL3983282,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNCC4CC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3972161,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(cc3-c(cc4C(F)(F)F)ccc4)CCN5CCCC5 +CHEMBL3684495,c1ccccc1-n(nn2)cc2COCc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL4447158,C1CCC1NC(=O)C[C@@H]2C[C@@H](c3cc(Cl)c(Cl)cc3)[C@@H](CN2)NC(=O)c4cc(c(o4)Cl)-c5c(Cl)cnn5C +CHEMBL4524940,Cn1ncc(Cl)c1-c(c(o2)Cl)cc2C(=O)N[C@H](CN3)[C@H](c4cc(Cl)c(Cl)cc4)C[C@H]3CCN5CCCCC5 +CHEMBL211224,c1cccc(c12)[nH]cc2C[C@H](Nc(c3)sc(c34)ccnc4)COc(cnc5)cc5-c(c6)sc(c67)ccnc7 +CHEMBL3672523,C1CCC1(N)c2ccc(cc2)-c(c(c3)-c4ccccc4)nc5n3nc(c56)cc(cc6)-c7cc(O)c(F)cc7 +CHEMBL3684514,Cn(n1)ccc1S(=O)(=O)NC2(CCC2)c3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3943452,COC1CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc(cs5)nc5-c6nncn6C7CC7 +CHEMBL4450403,Cn1ncc(Cl)c1-c(c(o2)Cl)cc2C(=O)N[C@H](CN3)[C@H](c4cc(Cl)c(Cl)cc4)C[C@H]3CCN5CCOCC5 +CHEMBL3684511,c1cc(F)cc(c12)[nH]cc2CCNCc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3909655,N#Cc1cc(ccc1)-c2c(N)ncnc2N(CC3)CCC3c(n4)n(C)cc4-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3985874,FC(F)(F)c1c(F)ccc(c1)-c2cn(C)c(n2)C3CCN(CC3)c4ncnc(N)c4-c5ccc(cc5)OC +CHEMBL3927440,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3672543,N#Cc1ccc(cc1)-c2cccc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3672518,N#Cc1cc(ccc1)-c(cc2)cc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3672535,N#Cc1cc(ccc1)-c(c2)ccc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3897066,N#Cc1ccc(cc1)-c2c(N)ncnc2N(CC3)CCC3c(n4)n(C)cc4-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3932421,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C=C +CHEMBL3932390,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5OCC +CHEMBL3968856,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(C4CCNCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3672537,N#Cc1ccc(cc1)-c(c2)ccc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3672547,OCc1ccc(cc1)-c(ccc2)c(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3672538,OCc1cc(ccc1)-c(c2)ccc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3672539,OCc1ccc(cc1)-c(c2)ccc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3649685,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4ccnnc4)c(c35)nc(cc5)-c6cc(ccc6)N7CCOCC7 +CHEMBL3909180,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(C)C(C)C)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3895898,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC(C)(C)C)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3943127,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCNCC)c(n2)C3CCN(CC3)c4ncnc(N)c4OC(C)C +CHEMBL3959291,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL207217,c1cccc(c12)[nH]cc2C[C@H](Nc(c3)ccc(c34)non4)COc(cnc5)cc5-c(c6)ccc(c67)non7 +CHEMBL1761072,CC(C)OCCN(S(=O)(=O)c(c1C)c(C)on1)C[C@@H](O)CN(C2)CCCC23CC(=O)c4c(O3)ccc(c4)O +CHEMBL3904672,Cc1c(F)ccc(c1)-c2cn(CCN(C(C)C)CC)c(n2)C3CCN(CC3)c4ncnc(N)c4OC(C)C +CHEMBL3905494,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4OC(C)C +CHEMBL1097972,c1cc(Cl)c(Cl)cc1C[C@H](N)COc(cnc2)cc2-c(c3)nc(N)c4cnc(c5c34)cc(OC)c(c5)OC +CHEMBL1761083,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CC(=O)c4c(O3)ccc(c4)O +CHEMBL211281,c1cccc(c12)[nH]cc2C[C@H](Nc(c3)sc(c34)cncc4)COc(cnc5)cc5-c(c6)sc(c67)cncc7 +CHEMBL4170874,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OC)nc4-c5cc(OC)ccc5 +CHEMBL517163,CN(C)CC(=O)N(CC1)c(c12)cc(c(c2)OC)Nc(nc(c34)[nH]cc3)nc4Nc5cccc(c56)CNC6=O +CHEMBL3684346,c1cccc(c12)cccc2CC(=O)Nc(cc3)ccc3-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3941283,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C=O +CHEMBL3919834,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC(C)C)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3649667,C1CCC1(N)c2ccc(cc2)-n(c(n3)C4CCCCC4)c(c35)nc(cc5)-c6cc(ccc6)N7CCOCC7 +CHEMBL3925183,FC(F)(F)c1c(F)ccc(c1)-c2cn(CC3CNC3)c(n2)C4CCN(CC4)c5ncnc(N)c5OC(C)C +CHEMBL3926249,C1OCC12CCN(C2)CCn(cc3-c4cc(F)c(F)cc4)c(n3)C5CCN(CC5)c6ncnc(N)c6CC +CHEMBL429576,c1ccccc1-c(c2)c(nc(N)c2C#N)-c(cc3)ccc3CN(CC4)CCC4n5c(=O)[nH]c(c56)cccc6 +CHEMBL270388,c1ccccc1-c(c2)c(nc(Cl)c2C#N)-c(cc3)ccc3CN(CC4)CCC4n5c(=O)[nH]c(c56)cccc6 +CHEMBL3963881,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C3)CC3C)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3917410,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C(C)C +CHEMBL3684504,c1ccccc1S(=O)(=O)NC2(CCC2)c3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3980521,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNCC(C)C)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3898363,N#CC1CCN(CC1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc(cs5)nc5-c6nncn6C7CC7 +CHEMBL3927590,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5[N+]([O-])=O +CHEMBL3920410,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(c5)ccc(C)c5C(F)(F)F +CHEMBL4160193,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OCC)nc4-c5c(F)cccc5 +CHEMBL4159491,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OCC)nc4-c5ccc(F)cc5 +CHEMBL4161273,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OCC)nc4-c(cc5)ccc5C +CHEMBL4161394,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OC)nc4-c5ccc(cc5)OC +CHEMBL3684497,c1ccccc1OC2CCN(CC2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3938237,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCCC3)c(n2)C4CCN(CC4)c5ncnc(c5Cl)N +CHEMBL2177367,CO[C@H](CC1)CC[C@@H]1NC[C@H](c2ccc(Cl)cc2)C(=O)N3CCN(CC3)c4ncnc(c45)[C@H](O)C[C@H]5C +CHEMBL425650,C1CCCCN1CCNC(=O)c2cc(ccc2)-c(c[nH]3)cc3/C=C/4C(=O)Nc(c45)ccc(c5)NC(=O)N +CHEMBL1794066,CC(C)(O)C#Cc1ncc(c(c12)n(CC)c(n2)-c3c(N)non3)OC4CCNCC4.O=C(C(F)(F)F)O +CHEMBL3701738,CCOc1cccc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(O)C7CC7 +CHEMBL2178597,FC(F)(F)c1c(F)cc(cc1)[C@@H](CNC(C)(C)C)C(=O)N2CCN(CC2)c3ncnc(c34)[C@H](O)C[C@H]4C +CHEMBL3701771,CN(C)C(=O)c(cc1)cc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL3672498,CCOC(=O)c1cc(cnc1)-c(cn2)n(c23)nc(c(c3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL252456,c1cccc(N)c1C(=O)CCNCc2ccc(cc2)-c(nc(c34)nc(nc4)SC)c(c3)-c5ccccc5 +CHEMBL2177361,C1CC1CNC[C@H](c(cc2)cc(F)c2C(F)(F)F)C(=O)N3CCN(CC3)c4ncnc(c45)[C@H](O)C[C@H]5C +CHEMBL3701762,CC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)ccc(c6)-c7ccn[nH]7 +CHEMBL593374,c1cccc(c12)[nH]cc2C[C@H](N)COc(c(n3)N)cc(c3-c(c4C)cco4)-c(c5)ccc(c56)[nH]nc6C +CHEMBL593375,c1cccc(c12)[nH]cc2C[C@H](N)COc(c(n3)N)cc(c3-c(c4C)cco4)-c(c5)cnc(c56)[nH]nc6C +CHEMBL595944,c1cccc(c12)[nH]cc2C[C@H](N)COc(c(n3)N)cc(c3-c(c4C)cco4)-c(n5)cnc(c56)[nH]nc6C +CHEMBL606467,Cc1n[nH]c(c12)ncc(n2)-c(c(n3)-c4ccoc4)cc(c3C#N)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL595459,c1cccc(c12)[nH]cc2C[C@H](N)COc(c(n3)N)cc(c3-c(c4C)cco4)-c(c5)ncc(c56)[nH]nc6C +CHEMBL3701763,CC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)ccc(c6)-c7cn[nH]c7 +CHEMBL2177826,c1ccccc1C(=O)NCc2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)ncc(c5)C6CCCC6 +CHEMBL3701768,CN(C)C(=O)c(c1)ccc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL403356,Nc(s1)nnc1C2CCN(CC2)Cc3ccc(cc3)-c(nc(c45)nc(nc5)SC)c(c4)-c6ccccc6 +CHEMBL3672010,c1ccnc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)ccn6)-c7ccccc7 +CHEMBL3701769,CCNC(=O)c(c1)ccc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL572629,c1ccccc1-c(n2)c([nH]c(=O)c2C)-c(cc3)ccc3CN(CC4)CCC4n5c(=O)[nH]c(c56)cccc6 +CHEMBL3922949,Cc1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5-c6cn[nH]c6 +CHEMBL3950201,NC(=O)c1c(OC)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3954073,C=C(C)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(C)C)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3978853,FC(F)(F)c1cc(ccn1)-c2cn(CCNC)c(n2)C3CCN(CC3)c4ncnc(N)c4C5C=NOC5 +CHEMBL3931504,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C=C +CHEMBL4164809,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OC)nc4-c5c(F)cccc5 +CHEMBL4176130,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OC)nc4-c(cc5)ccc5C +CHEMBL1761086,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CCc4c(O3)ccc(F)c4 +CHEMBL2016889,C1CCCN1CCNc(cc2CCC(C)(C)C)c(C)c(c2)N(CC3)CCN3c4ncnc(c45)[nH]nc5Br +CHEMBL1096271,c1ccc(Cl)cc1C[C@H](N)COc(cnc2)cc2-c(c3)nc(N)c4cnc(c5c34)cc(OC)c(c5)OC +CHEMBL3679636,c1ccccc1-c(c2)c(nc(cc3)c2n(c34)c(C(F)F)nn4)-c(cc5)ccc5[C@@](C6)(N)C[C@]6(O)C7CC7 +CHEMBL4519793,Cn1ncc(Cl)c1-c(c(o2)Cl)cc2C(=O)N[C@H](CN3)[C@H](c4cc(Cl)c(Cl)cc4)C[C@H]3CCn5cncn5 +CHEMBL3939144,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCCC3)c(n2)C4CCN(CC4)c(ncn5)cc5N +CHEMBL3922798,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3910308,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C +CHEMBL3934916,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC4CCCC4)cc3-c(c5)ccc(F)c5C +CHEMBL3895494,COC1CCN(C1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc(cs5)nc5-c6nncn6C7CC7 +CHEMBL3684408,CN(C)c(cc1)ccc1C(=O)NCc2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL4441416,Cn1ncc(Cl)c1-c(c(o2)Cl)cc2C(=O)N[C@H](CN3)[C@H](c4cc(F)c(F)cc4)C[C@H]3CCNS(=O)(=O)C +CHEMBL255212,c1ccccc1-c(cc2C#N)c(nc2)-c(cc3)ccc3CN(CC4)CCC4n5c(=O)[nH]c(c56)cccc6 +CHEMBL3693446,CC(C)S(=O)(=O)Nc(ccc1)cc1-c(cc2)nc(c23)nc(N4CCOC[C@@H]4C)nc3N5CCOC[C@@H]5C +CHEMBL3684339,c1cccc(c12)ccc(c2)C(=O)Nc(cc3)ccc3-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3684355,CC(C)(C)c1ccc(cc1)C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL3649686,CN(C)C(=O)c1cc(ccc1)-c(cc2)nc(c23)n(c(n3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3684365,c1cccc(c12)ncc(n2)C(=O)Nc(cc3)ccc3-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3684412,COc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL3672533,Cc1ccc(cc1)-c(c2)ccc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL3935565,C1CC1c2cn(cn2)-c(c(cn3)N(C4)CC4(C#N)C)cc3C(=O)Nc5csc(n5)-c6nncn6C7CC7 +CHEMBL3905950,COC1(C)CN(C1)c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc5csc(n5)-c6nncn6C7CC7 +CHEMBL4554668,OCCNC(=O)C[C@@H]1C[C@@H](c2cc(Cl)c(Cl)cc2)[C@@H](CN1)NC(=O)c3cc(c(o3)Cl)-c4c(Cl)cnn4C +CHEMBL178397,c1ccccc1-c([nH]c(=O)c2C)c(n2)-c(cc3)ccc3CN(CC4)CCC4n5c(=O)[nH]c(c56)cccc6 +CHEMBL2016890,C1CCCN1CCNc(c2C)cc(-c(on3)nc3C)cc2N(CC4)CCN4c5ncnc(c56)[nH]nc6Br +CHEMBL3936329,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(C)C)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL3982415,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(c5Br)N +CHEMBL3942663,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CNC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3955405,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CCN4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3908032,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(C4CCNC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3895789,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(c5F)N +CHEMBL3950595,FC(F)(F)c1ccc(cc1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3939239,CC(C)Oc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCC4)cc3-c(c5)ccc(F)c5C +CHEMBL3913659,CC(C)Oc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(CC)CC)cc3-c(c4)ccc(F)c4C +CHEMBL4062453,c1ccc(F)cc1COc(c2C(=O)N)cc(cc2)-c(cn3)n(c34)ccc(c4)-c5cnn(c5)CCN(C)C +CHEMBL3900512,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4C5CC5 +CHEMBL3956421,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(ccn5)cc5C(F)(F)F +CHEMBL3983786,Cc1c(F)ccc(c1)-c2cn(CCNC3CC3)c(n2)C4CCN(CC4)c5ncnc(N)c5-c6cn[nH]c6 +CHEMBL3672532,C1CCC1(N)c2ccc(cc2)-c(c(c3)-c4ccccc4)nc5n3nc(c56)ccc(c6)-c7ccc(F)cc7 +CHEMBL3216643,Oc1ccc(OC)c(F)c1C(=O)c2ccc(cc2)C(=O)O[C@H](CCCNC3)C3NC(=O)c4ccncc4 +CHEMBL3667045,c1cncc(c12)[nH]c(n2)C3CCN(CC3)Cc4ccc(cc4)-c(n5)c(cn(c56)ccn6)-c7ccccc7 +CHEMBL3684345,c1cccc(c12)cccc2C(=O)Nc(cc3)ccc3-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3893943,C1COCCCN1c(cn2)c(-n(cn3)cc3C4CC4)cc2C(=O)Nc(cs5)nc5-c6nncn6C7CC7 +CHEMBL3908761,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(C(C)C)CC)cc3-c(c4)ccc(F)c4C +CHEMBL3890873,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c5cc(S(=O)(=O)C)ccc5 +CHEMBL1940252,Nc1ncnc(c12)n(C(C)C)cc2C(=O)c3cncc(n3)N[C@H]4[C@H](N(C(=O)C)CC4)c5ccc(F)cc5 +CHEMBL3904291,CC(C)Oc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCC4)cc3-c5cc(Cl)c(F)cc5 +CHEMBL252652,CCNC(=O)NC1CCN(CC1)Cc2ccc(cc2)-c(nc(c34)nc(nc4)SC)c(c3)-c5ccccc5 +CHEMBL577797,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)NC(=O)C5c(c6)oc(C)c6C +CHEMBL368010,c1ccccc1-c(cc2C#N)c(nc2)-c(cc3)ccc3CN(CC4)CCC4c(n5)[nH]c(c56)ccc(F)c6 +CHEMBL425155,n1nscc1-c(cc2)ccc2CNCc3ccc(cc3)-c(c4-c5ccccc5)ncc(c4)-c6nn[nH]n6 +CHEMBL3919026,FC(F)(F)c1ccc(cc1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C=C +CHEMBL1095622,c1cc(F)ccc1C[C@@H](N)COc(cnc2)cc2-c(c3)nc(N)c4cnc(c5c34)cc(OC)c(c5)OC +CHEMBL1095931,c1cccc(Cl)c1C[C@H](N)COc(cnc2)cc2-c(c3)nc(N)c4cnc(c5c34)cc(OC)c(c5)OC +CHEMBL1761085,c1ccc(C)c(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CCc4c(O3)ccc(c4)O +CHEMBL1761071,CCOCCN(S(=O)(=O)c(c1C)c(C)on1)C[C@@H](O)CN(C2)CCCC23CC(=O)c4c(O3)ccc(c4)O +CHEMBL1761077,c1cccc(Cl)c1S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CC(=O)c4c(O3)ccc(c4)O +CHEMBL378827,C1CC1CC(C)(C)C2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5c[nH]c(c56)cccc6 +CHEMBL1761082,c1cccc(c1C)S(=O)(=O)N(CCOCC)C[C@@H](O)CN(C2)CCCC23CC(=O)c4c(O3)ccc(c4)O +CHEMBL1095621,c1cc(F)ccc1C[C@H](N)COc(cnc2)cc2-c(c3)nc(N)c4cnc(c5c34)cc(OC)c(c5)OC +CHEMBL3920406,C1CC1c2cn(cn2)-c(c(cn3)N(CC4)CCC4F)cc3C(=O)Nc(cs5)nc5-c6nncn6C7CC7 +CHEMBL4589576,C1CC1NC(=O)C[C@@H]2C[C@@H](c3cc(Cl)c(Cl)cc3)[C@@H](CN2)NC(=O)c4cc(c(o4)Cl)-c5c(Cl)cnn5C +CHEMBL4546392,Cn1ncc(Cl)c1-c(c(o2)Cl)cc2C(=O)N[C@H](CN3)[C@H](c4cc(Cl)c(Cl)cc4)C[C@H]3CCN5CCCC5 +CHEMBL3684515,n1oc(C)cc1C(=O)NC2(CCC2)c3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3684362,c1cc(C(F)(F)F)ccc1C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL3684433,c1ccc(OC)cc1NC(=O)NCc2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL3684499,Cc1nc(on1)C2CCCN(C2)Cc3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3962807,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3961556,FC(F)(F)c1c(O)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(c5Cl)N +CHEMBL3890352,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C=O +CHEMBL3975500,Cc1c(F)ccc(c1)-c2cn(CCN(C(C)C)CC)c(n2)C3C(OCC)CN(CC3)c(ncn4)cc4N +CHEMBL3918747,CC(C)(C)c1cc(ccn1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C(=O)N +CHEMBL4163627,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OCC)nc4-c5ccccc5 +CHEMBL3976254,FC(F)(F)COc1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CNC4)cc3-c(c5)ccc(F)c5C +CHEMBL1202518,Oc1ccc(OC)c(F)c1C(=O)c2ccc(cc2)C(=O)N[C@H]3C(CNCCC3)NC(=O)c4ccncc4 +CHEMBL3896892,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(cc3-c(cc4C(F)(F)F)ccc4)CCN5CCCC5 +CHEMBL3972543,c1cc(Cl)c(F)cc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C6CCC6 +CHEMBL3982706,C1CCCN1CCn(cc2-c(cc3C(F)(F)F)ccc3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3900660,FC(F)(F)c1c(F)ccc(c1)-c2cn(CC3CNC3)c(n2)C4CCN(CC4)c5ncnc(N)c5OCC +CHEMBL3961562,c1cc(F)c(F)cc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C6CCC6 +CHEMBL3908126,C1CC1c2cn(cn2)-c(c(cn3)N(C4)CC4C(F)F)cc3C(=O)Nc5csc(n5)-c6nncn6C7CC7 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+CHEMBL3976391,C1OCC12CN(C2)CCn(cc3-c4cc(F)c(F)cc4)c(n3)C5CCN(CC5)c6ncnc(N)c6CC +CHEMBL3924599,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC(C)C)cc3-c(c4)ccc(F)c4C(F)(F)F +CHEMBL4169321,c1cccc(c2=O)c1[nH]c(c23)c(ccc3)C(=O)NNc(nc(C)c4C(=O)OC)nc4-c5ccc(F)cc5 +CHEMBL3684502,c1ccccc1C(=O)NC2(CCC2)c3ccc(cc3)-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3986793,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(c5Cl)N +CHEMBL3952378,c1cc(F)c(Cl)cc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C6CCC6 +CHEMBL3950518,FC(F)(F)c1c(F)cc(cc1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(c5Br)N +CHEMBL3949201,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(c5)ccc(C)c5C(F)(F)F +CHEMBL3980688,c1ccc(OC(F)(F)F)cc1-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3684424,COc1cc(ccc1)S(=O)(=O)NCc2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL3679633,c1ccccc1C(=N)n2c(=N)ccc(c23)nc(c(c3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3701732,COc1cccc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(O)C7CC7 +CHEMBL2325995,C1COCCN1CCCC(c2ccc(Cl)cc2)NC(=O)C3(N)CCN(CC3)c4ncnc(c45)[nH]cc5 +CHEMBL2177368,C1COCCC1CNC[C@H](c2ccc(Cl)cc2)C(=O)N3CCN(CC3)c4ncnc(c45)[C@H](O)C[C@H]5C +CHEMBL3639985,COc(nc1)ccc1COc(n2)ccn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3701734,COc(cc1)cc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(O)C7CC7 +CHEMBL594523,c1cccc(c12)[nH]cc2C[C@H](N)COc(c3C)cc(c(n3)-c4ccoc4)-c(n5)cnc(c56)[nH]nc6C +CHEMBL2177362,C1COCCC1NC[C@H](c2cc(F)c(Cl)cc2)C(=O)N3CCN(CC3)c4ncnc(c45)[C@H](O)C[C@H]5C +CHEMBL3701770,CNC(=O)c(cc1)cc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL3672483,COC(=O)c1cc(ccc1)-c(cn2)n(c23)nc(c(c3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3701733,COc(c1)ccc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(O)C7CC7 +CHEMBL596583,c1cccc(c12)[nH]cc2C[C@H](N)COc(cn3)cc(c3-c(c4C)cco4)-c(n5)cnc(c56)[nH]nc6C +CHEMBL3672495,COC(=O)c1ccc(cn1)-c(cn2)n(c23)nc(c(c3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3701766,CNC(=O)c(c1)ccc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL2325996,C1CCCCN1CCCC(c2ccc(Cl)cc2)NC(=O)C3(N)CCN(CC3)c4ncnc(c45)[nH]cc5 +CHEMBL3672481,CS(=O)(=O)c(cc1)ccc1-c(cn2)n(c23)nc(c(c3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3672488,C1CCC1(N)c2ccc(cc2)-c(c(c3)-c4ccccc4)nn(c35)c(cn5)-c6ccc(cc6)S(=O)(=O)N +CHEMBL3699705,c1cnc(OC)cc1COc(n2)ccn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL594309,c1ccc(F)c(c12)[nH]cc2C[C@H](N)COc(cn3)cc(c3-c4ccoc4)-c(c5)ccc(c56)[nH]nc6C +CHEMBL607374,c1cc(F)cc(c12)[nH]cc2C[C@H](N)COc(cn3)cc(c3-c4ccoc4)-c(c5)ccc(c56)[nH]nc6C +CHEMBL605528,c1c(F)ccc(c12)[nH]cc2C[C@H](N)COc(cn3)cc(c3-c4ccoc4)-c(c5)ccc(c56)[nH]nc6C +CHEMBL381610,c1ccccc1CNc(ncc2)cc2/C=C/c3cc(cnc3)OC[C@@H](N)Cc4c[nH]c(c45)cccc5 +CHEMBL595939,c1cccc(c12)[nH]cc2C[C@H](N)COc(cn3)cc(c3-c(c4C)cco4)-c(c5)ccc(c56)[nH]nc6C +CHEMBL3906193,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CCN4)cc3-c(c5)ccc(F)c5C(F)(F)F 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+CHEMBL3892575,c1cc(F)ccc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C6CCC6 +CHEMBL3919089,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(c5Cl)N +CHEMBL3940823,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCC4)cc3-c5cc(F)c(F)cc5 +CHEMBL3672555,Cc1cc([nH]n1)-c(cc2)cc(c23)nn4c3nc(c(c4)-c5ccccc5)-c(cc6)ccc6C7(N)CCC7 +CHEMBL1204095,Oc1ccc(OC)c(F)c1C(=O)c2ccc(cc2)/C=C/[C@H]3[C@@H](CNCCC3)NC(=O)c4ccncc4 +CHEMBL3957354,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CNC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3957657,Cc1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4-c5cn[nH]c5 +CHEMBL4126067,C1COCCC1c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(c56)NC(=O)C[C@H]6C +CHEMBL3684358,O1COc(c12)ccc(c2)C(=O)Nc(cc3)ccc3-c(nn4)n5c(cccn6)c6Nc(c7c45)cccc7 +CHEMBL3970397,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c5ccc(cc5)OC(F)F +CHEMBL3962465,NC(=O)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3947888,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(ccn5)cc5C(F)(F)F +CHEMBL3985936,C1COCCN1c(cc(=O)[nH]2)nc2CC(=O)N(CC3)c(c34)cccc4CN5CCN(CC5)S(=O)(=O)C +CHEMBL3899565,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5N +CHEMBL3952076,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(C4CNC4)cc3-c(c5)ccc(F)c5C(F)(F)F +CHEMBL3952282,FC(F)(F)c1c(F)ccc(c1)-c2cn(CC3CNC3)c(n2)C4CCN(CC4)c5ncnc(N)c5C=C +CHEMBL3973734,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCC4)cc3-c5cc(Cl)c(F)cc5 +CHEMBL3684427,Fc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL3684431,c1cccc(F)c1NC(=O)NCc2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL3684420,c1ccccc1NC(=O)NCCc2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL4553900,CC(=O)NC1(CCC1)c2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)nc(cc5)-c6ccccc6 +CHEMBL4129379,C1CCCN1CCn(cc2CCC(F)(F)F)c(n2)C3CCN(CC3)c4ncnc(c45)NC(=O)C[C@H]5C +CHEMBL3693591,C[C@H]1COCCN1c2nc(N3CCOC[C@@H]3C)nc(c24)nc(cc4)-c(c5)ccc(c56)NCCNC6=O +CHEMBL3684423,c1ccc(cc1F)S(=O)(=O)NCc2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 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+CHEMBL3980922,FC(F)(F)c1cc(ccn1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(c5Cl)N +CHEMBL3913969,Cc1c(F)ccc(c1)-c2cn(CCNC)c(n2)C3CCN(CC3)c4ncnc(N)c4-c5cn[nH]c5 +CHEMBL3916178,Cc1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5OCC +CHEMBL3954781,c1cc(F)c(F)cc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3890965,FC(F)(F)c1ccc(cc1)-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c(ncn5)cc5N +CHEMBL3891980,C=Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(ccn5)cc5C(C)C +CHEMBL3935483,c1cc(F)c(OC)cc1-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3975681,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC(C)C)cc3-c(c4)ccc(F)c4C +CHEMBL4475923,CNC(=O)C[C@@H]1C[C@@H](c2cc(Cl)c(Cl)cc2)[C@@H](CN1)NC(=O)c3cc(c(o3)Cl)-c4c(Cl)cnn4C +CHEMBL4590906,Cn1ncc(Cl)c1-c(c(o2)Cl)cc2C(=O)N[C@H](CN3)[C@H](c4cc(Cl)c(Cl)cc4)C[C@H]3CCN(C)C +CHEMBL3968742,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(ccn5)cc5C6CC6 +CHEMBL3684352,c1cccc(OC)c1C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 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+CHEMBL1098939,n1onc(N)c1-c(n2)n(CC)c(c23)cc(nc3C#CC(C)(C)O)OC[C@@H](N)Cc4ccccc4 +CHEMBL2177378,c1cc(Cl)ccc1[C@@H](CNC(C)(C)CO)C(=O)N2CCN(CC2)c3ncnc(c34)[C@H](O)C[C@H]4C +CHEMBL3701758,OCc(c1)ccc(c1c23)OCn3c(-c4ccccc4)c(n2)-c(cc5)ccc5C(C6)(N)CC6(C)O +CHEMBL3701727,C1CC1C2(O)CC(C2)(N)c3ccc(cc3)-c(n4)c(-c5ccccc5)n6COc(c7c46)cccc7 +CHEMBL3672487,OCc1ccc(cc1)-c(cn2)n(c23)nc(c(c3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3672507,C1CCC1(N)c2ccc(cc2)-c(c(c3)-c4ccccc4)nn(c35)c(c(n5)Br)-c6ccc(F)cc6 +CHEMBL3701755,C1CC1C2(O)CC(C2)(N)c3ccc(cc3)-c(n4)c(-c5ccccc5)n6COc(c7c46)nccn7 +CHEMBL252455,Nc(s1)nnc1CCNCc2ccc(cc2)-c(nc(c34)nc(nc4)SC)c(c3)-c5ccccc5 +CHEMBL3701765,CC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)ccc(n6)OC +CHEMBL3701736,CC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)cc(cc6)OC +CHEMBL4586184,CC(=O)Nc(cc1)ccc1-c(cc2)nc(c23)n(-c(cc4)ccc4CN)c(n3)-c5c(N)nccc5 +CHEMBL2325985,c1ccccc1CC(c2ccc(Cl)cc2)NC(=O)C3(N)CCN(CC3)c4ncnc(c45)[nH]cc5 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+CHEMBL3968052,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCC4)cc3-c5cc(F)ccc5 +CHEMBL3894577,c1cc(F)ccc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL210628,c1cncc(c12)ccc(c2)-c(c3\C=C\C#N)cncc3OC[C@@H](N)Cc4c[nH]c(c45)cccc5 +CHEMBL1257985,c1cc(Cl)ccc1C[C@@H](N)C(=O)N2CCN(CC2)c3ncnc(c34)ccc(c4)-c5ccccc5 +CHEMBL3940867,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c5cc(Cl)c(F)cc5 +CHEMBL3908806,C1COCCN1c(cc(=O)[nH]2)nc2CC(=O)N(CC3)c(c34)cccc4C5CCCCN5CCC +CHEMBL3910789,FC(F)(F)c1cc(ccn1)-c2cn(CCNC)c(n2)C3CCN(CC3)c4ncnc(N)c4CC +CHEMBL3928074,C=Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCC4)cc3-c5cc(F)ccc5 +CHEMBL3904876,c1cnc(OC)cc1-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3936879,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(ccn5)cc5CC +CHEMBL3948085,Cc1c(F)ccc(c1)-c2cn(CCN(C)C)c(n2)C3CCN(CC3)c4ncnc(N)c4OCC +CHEMBL3930747,C1COCCN1c(cc(=O)n2C)nc2CC(=O)N(CC3)c(c34)cccc4CN5CCN(C)CC5 +CHEMBL4451765,c1cc(Cl)c(Cl)cc1[C@H](C[C@H]2CCCO)[C@@H](CN2)NC(=O)c3cc(c(o3)Cl)-c4c(Cl)cnn4C +CHEMBL3688935,C[C@H]1COCCN1c2nc(N3CCOC[C@@H]3C)nc(c24)nc(cc4)-c(c5)ccc(c56)[nH]nc6N +CHEMBL3693558,C[C@H]1COCCN1c2nc(N(CC3)CCC3C(=O)NC)nc(c24)nc(cc4)-c5ccc(N)nc5 +CHEMBL403354,c1ncccc1CCNCc2ccc(cc2)-c(nc(c34)nc(nc4)SC)c(c3)-c5ccccc5 +CHEMBL3684366,c1cc(F)ccc1C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL3684406,c1ncccc1C(=O)NCc2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL1773728,CC(=O)Nc(n1)sc(c12)cc(cc2)-c3cc(c(Cl)nc3)NS(=O)(=O)c(cc4C(F)(F)F)ccc4 +CHEMBL3649687,c1ccccc1CNc(cc2)nc(c23)n(c(n3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3684341,c1cc(C)ccc1C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL3949795,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC)cc3-c(ccn4)cc4C(F)(F)F +CHEMBL3968744,FC(F)(F)c1c(F)ccc(c1)-c2cn(CCN)c(n2)C3CCN(CC3)c4ncnc(N)c4CC +CHEMBL603852,c1cc(Cl)ccc1C(=O)N(N=C2C)C(=O)C2/N=N/c3ccc(cc3)S(=O)(=O)Nc4ncccn4 +CHEMBL3912769,CC(C)c1cc(ccn1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(c5Cl)N +CHEMBL3966806,CC(C)c1cc(ccn1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(c5Br)N +CHEMBL3894443,c1cc(F)ccc1-c2cn(CCN(C3)CC3F)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL2375953,NC(=O)CO[C@H](CC1)CC[C@@H]1n(c(c23)nc(N)nc2C)c(=O)c(c3)-c(c4)cnc(c45)cccc5 +CHEMBL3923074,c1cc(Cl)ccc1C(=O)N(N=C2C)C(O)C2/N=N/c3ccc(cc3)S(=O)(=O)Nc4ncccn4 +CHEMBL3640751,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)nc(cc5)Oc6ccccc6 +CHEMBL3672526,COC(=O)c(cc1)cc(c12)nn3c2nc(c(c3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3684361,c1cccc(F)c1C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL574995,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)[nH]nc5-c6nccs6 +CHEMBL2016885,C1CCCN1CCNc(c2C)cc(OCC)cc2N(CC3)CCN3c4ncnc(c45)[nH]nc5Br +CHEMBL1938415,Nc1ncnc(c12)n(C(C)C)cc2C(=O)c3cncc(n3)N[C@H](COC4)[C@H]4c5ccc(F)cc5 +CHEMBL3980219,c1cc(F)c(Cl)cc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(c5Br)N +CHEMBL3950203,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c5cc(F)c(F)cc5 +CHEMBL1940246,Nc1ncnc(c12)n(C(C)C)cc2C(=O)c3cncc(n3)N[C@H](CCC4)[C@H]4c5ccc(F)cc5 +CHEMBL3969229,c1ccc(F)cc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3640750,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4c(N)nccc4)c(c35)nc(cc5)Sc6ccccc6 +CHEMBL3974201,CC(C)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CNC4)cc3-c(c5)ccc(F)c5C +CHEMBL2177376,c1cc(Cl)ccc1[C@@H](CNCC(F)(F)F)C(=O)N2CCN(CC2)c3ncnc(c34)[C@H](O)C[C@H]4C +CHEMBL3974191,C=Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCCC4)cc3-c5ccc(F)cc5 +CHEMBL3905187,c1ccc(Cl)cc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL572670,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)[nH]nc5-c6ccc[nH]6 +CHEMBL1773729,CC(=O)Nc(n1)sc(c12)cc(cc2)-c3cc(c(Cl)nc3)NS(=O)(=O)c(cc4)ccc4C(F)(F)F +CHEMBL595684,c1ccccc1C[C@H](N)COc(c2)cnc(-c3cc(O)ccc3)c2-c(c4)ccc(c45)[nH]nc5C +CHEMBL3980667,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c(cc5)cc(Cl)c5C +CHEMBL3977710,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(C)C)cc3-c(c4)ccc(F)c4C +CHEMBL3985540,c1cc(F)c(Cl)cc1-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC 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+CHEMBL3701723,CC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccncc4)n5COc(c6c35)cccc6F +CHEMBL3701764,CC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)cc(C)cn6 +CHEMBL3699745,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)cccc5-c6cc(F)ccc6 +CHEMBL3699778,Cc1cc([nH]n1)-c(cc2C)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3699668,c1cccc(c1C)-c(n2)ccn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3699763,c1ncccc1-c2cc(C)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3703140,[nH]1ccnc1-c(cc2OC)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3699678,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)ccc(n5)-n6ccccc6=O +CHEMBL3699732,COCCNC(=O)c(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL1096634,n1onc(N)c1-c(n2)n(CC)c(c23)cc(nc3C#CC(C)(C)O)OC[C@H](N)c4ccccc4 +CHEMBL2177372,c1cc(Cl)c(F)cc1[C@@H](CNC(C)C)C(=O)N2CCN(CC2)c3ncnc(c34)[C@H](O)C[C@H]4C +CHEMBL2177369,c1cc(Cl)ccc1[C@@H]([C@@H]2CCCCN2)C(=O)N3CCN(CC3)c4ncnc(c45)[C@H](O)C[C@H]5C +CHEMBL3701757,CCC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)nccn6 +CHEMBL3701724,CC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)ccc(F)c6 +CHEMBL1099296,c1ccccc1[C@@H](CN)Oc(nc2C#CC(C)(C)O)cc(c23)n(CC)c(n3)-c4c(N)non4 +CHEMBL3701718,CC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)cccc6F +CHEMBL3672485,Cc1ccc(cc1)-c(cn2)n(c23)nc(c(c3)-c4ccccc4)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3699708,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)ccc(n5)OC6CCCCC6 +CHEMBL3703168,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)cc(cc5)-c6c(O)nccc6 +CHEMBL3701745,CCC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)cccn6 +CHEMBL3699762,[nH]1nccc1-c(c(C)c2C)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3703169,c1[nH]ncc1-c(cc2OC)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3699709,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)ccc(n5)Oc6ccccc6 +CHEMBL3699718,C1CCCN1C(=O)c(c2)ccn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL2177370,c1cc(Cl)ccc1[C@@H]([C@@H]2COCCN2)C(=O)N3CCN(CC3)c4ncnc(c45)[C@H](O)C[C@H]5C +CHEMBL2177365,c1cc(Cl)ccc1[C@@H](CN(C)C(C)C)C(=O)N2CCN(CC2)c3ncnc(c34)[C@H](O)C[C@H]4C +CHEMBL3703139,[nH]1cncc1-c(cc2OC)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3703163,CN(C)C(=O)COc(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL2325984,c1cc(Cl)ccc1C(c2ccccc2)NC(=O)C3(N)CCN(CC3)c4ncnc(c45)[nH]cc5 +CHEMBL2177377,COCCNC[C@H](c1ccc(Cl)cc1)C(=O)N2CCN(CC2)c3ncnc(c34)[C@H](O)C[C@H]4C +CHEMBL3699777,c1ncccc1-c(cc2C)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3699711,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)ccc(c5)-c6ccc(F)cc6 +CHEMBL3699734,C1CC1CNC(=O)c(cc2)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL378714,CC#Cc(c1)ncc(c12)ccc(c2)-c3cc(cnc3)OC[C@@H](N)Cc4c[nH]c(c45)cccc5 +CHEMBL247798,O1C(F)(F)Oc(c12)ccc(c2)NC(=O)c3c(ncs3)NCc4ccc(nc4)NC(=O)NCC +CHEMBL1254114,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)cc(CCC)c(c45)[nH]nc5C +CHEMBL1632381,c1cc(Cl)ccc1CC(CN2CCCC2)C(=O)N3CCN(CC3)c4ncnc(c45)CS[C@H]5C +CHEMBL1632386,c1cc(Cl)c(F)cc1CC(CC2(N)CC2)C(=O)N3CCN(CC3)c4ncnc(c45)CS[C@H]5C +CHEMBL2177821,c1ccccc1CC(=O)NCc2ccc(cc2)-n(c(c34)nccc3)c(n4)-c5c(N)nccc5 +CHEMBL3907940,c1ncc(Cl)cc1-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3899716,Cc1c(F)ccc(c1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(c5Br)N +CHEMBL3948454,FC(F)(F)c1cc(ccn1)-c2cn(CCNC)c(n2)C3CCN(CC3)c4ncnc(c4Cl)N +CHEMBL3967750,CCc1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CNC4)cc3-c(c5)ccc(F)c5C +CHEMBL4577134,c1ccc(F)cc1[C@H]2[C@@H](CNCC2)NC(=O)c3ccc(s3)-c(n(C)nc4)c4-c5ccncc5 +CHEMBL252055,n1[nH]cnc1CCNCc2ccc(cc2)-c(nc(c34)nc(nc4)SC)c(c3)-c5ccccc5 +CHEMBL1632368,c1cc(Cl)c(F)cc1CC(CNC(C)C)C(=O)N2CCN(CC2)c3ncnc(c34)CS[C@H]4C +CHEMBL1632390,c1cc(Cl)c(F)cc1CC(CNC(C)C)C(=O)N2CCN(CC2)c3ncnc(c34)CO[C@H]4C +CHEMBL2021429,c1cc(Cl)ccc1C[C@@H](N)C(=O)N2CCN(CC2)c3ncnc(c34)ccc(c4)S(=O)(=O)NC +CHEMBL2375957,NC(=O)CO[C@H](CC1)CC[C@@H]1n(c(c23)nc(N)nc2C)c(=O)c(c3)-c4cc(F)c(nc4)OC +CHEMBL2325735,c1cc(Cl)ccc1C(CNS(=O)(=O)C)NC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL3899490,FC(F)(F)c1cc(ccn1)-c2cn(CCNC)c(n2)C3CCN(CC3)c4ncnc(c4Br)N +CHEMBL3894252,c1ccc(F)cc1-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3939097,c1ccc(Cl)cc1-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3932866,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c5cc(F)ncc5 +CHEMBL4467439,c1cc(Cl)c(Cl)cc1[C@H](C[C@H]2CCC)[C@@H](CN2)NC(=O)c3cc(c(o3)Cl)-c4c(Cl)cnn4C +CHEMBL4453662,FC(F)(F)c1c(Cl)ccc(c1)[C@H]2[C@@H](CNCC2)NC(=O)c(c3)sc(Cl)c3-c4c(Cl)cnn4C +CHEMBL3649670,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4c(N)nn(C)c4)c(c35)nc(cc5)-c6ccccc6 +CHEMBL3684369,c1ccccc1C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL2012699,C1CCCN1CCNc(c2C)cc(Cl)cc2N(CC3)CCN3c4ncnc(c45)[nH]nc5CC +CHEMBL1257628,c1cc(Cl)ccc1C[C@@H](N)C(=O)N2CCN(CC2)c3ncnc(c34)ccc(c4)-c5cn[nH]c5 +CHEMBL3649675,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4c(F)nccc4)c(c35)nc(cc5)-c6ccccc6 +CHEMBL2325734,c1cc(Cl)ccc1C(CCS(=O)(=O)N)NC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL3941855,Cc1cc(cnc1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3649674,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4c(O)cccc4)c(c35)nc(cc5)-c6ccccc6 +CHEMBL3923440,c1cnc(Cl)cc1-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3965063,Cc1cc(ccn1)-c2cn(CCN3CCC3)c(n2)C4CCN(CC4)c5ncnc(N)c5CC +CHEMBL3943038,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CC4CNC4)cc3-c(c5)ccc(F)c5C +CHEMBL2375963,NC(=O)CO[C@@H](CC1)CC[C@@H]1n(c(c23)nc(N)nc2C)c(=O)c(c3)-c4cc(F)c(nc4)OC +CHEMBL3696284,C1COCCN1c(cc(=O)[nH]2)nc2CC(=O)Nc3cccc(c34)n(cc4)C(=O)OC(C)(C)C +CHEMBL3684351,c1ncccc1C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL1632383,c1cc(F)c(F)cc1CC(CNC(C)C)C(=O)N2CCN(CC2)c3ncnc(c34)CS[C@H]4C +CHEMBL1632392,c1cc(Cl)c(F)cc1CC(CC(C)(C)N)C(=O)N2CCN(CC2)c3ncnc(c34)CO[C@H]4C +CHEMBL1632388,c1cc(Cl)c(F)cc1CC(CC(C)(C)N)C(=O)N2CCN(CC2)c3ncnc(c34)CS[C@H]4C +CHEMBL3649671,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4c(N)nccn4)c(c35)nc(cc5)-c6ccccc6 +CHEMBL3684368,c1cnccc1C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL2216825,C1C(=O)O[C@@H]([C@@H]12)C3=C([C@H](O2)C)C(=O)c4c(C3=O)ccc(c4O)[C@H](O5)C[C@@H](N(C)C)[C@H](O)[C@H]5C +CHEMBL374808,FC(F)(F)c1n[nH]c(c12)ccc(c2)-c3cc(cnc3)OC[C@@H](N)Cc4c[nH]c(c45)cccc5 +CHEMBL247797,FC(F)(F)Sc(cc1)ccc1NC(=O)c2c(n(C)nc2)NCc3ccc(nc3)NC(=O)NC +CHEMBL3971598,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN(C)C)cc3-c(c4)ccc(F)c4C +CHEMBL3949523,c1ccc(F)cc1-c2cn(CCN3CCCC3)c(n2)C4CCN(CC4)c5ncnc(c5Br)N +CHEMBL252056,s1ccnc1CCNCc2ccc(cc2)-c(nc(c34)nc(nc4)SC)c(c3)-c5ccccc5 +CHEMBL388311,[nH]1cccc1/C=C/2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5ccccc5 +CHEMBL226849,o1cccc1/C=C\2C(=O)Nc(c23)ccc(c3)-c4cc(cnc4)OC[C@@H](N)Cc5ccccc5 +CHEMBL1773576,CC(=O)Nc(n1)sc(c12)cc(cc2)-c3ccnc(n3)N(CC)S(=O)(=O)c(cc4)ccc4OC +CHEMBL1773602,COc1ccc(cc1)S(=O)(=O)Nc(c2C#N)cc(cn2)-c(cc3)cc(c34)sc(n4)NC(=O)C +CHEMBL574269,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)NC(=O)C5C6CC6 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+CHEMBL520788,c1cccc(c1C(F)(F)F)C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c3ccnc(c34)[nH]cc4 +CHEMBL3701750,CC1(O)CC(C1)(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)cncc6 +CHEMBL3699675,COc1cc(C(=O)OC)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699766,c1[nH]ncc1-c2cc(C)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3703132,COC(=O)/C=C/c(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703165,COC(=O)COc(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699733,C1CC1NC(=O)c(cc2)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3703115,COC(=O)/C=C/c(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703117,COC(=O)CCc(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699729,CC(C)NC(=O)c(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699753,CCOC(=O)c(cc1Br)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699776,[nH]1nccc1-c(cc2C)cn(c23)c(-c4ccccc4)c(n3)-c(cc5)ccc5C6(N)CCC6 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+CHEMBL1081437,FC(F)(F)c1ccc(cc1)C[C@H](N)CNc(s2)nnc2-c(c3)ccc(c34)[nH]nc4C5CC5 +CHEMBL595709,c1ccccc1C[C@H](N)COc(cn2)cc(c2-c3ccoc3)-c(c4)ccc(c45)[nH]nc5C +CHEMBL375486,c1ccccc1C[C@H](N)COc(cnc2)cc2-c(c3)ncc(c34)[nH]nc4-c5cccn5C +CHEMBL1773575,CC(=O)Nc(n1)sc(c12)cc(cc2)-c3ccnc(n3)N(C)S(=O)(=O)c(cc4)ccc4OC +CHEMBL227324,FC(F)(F)Oc(cc1)ccc1C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL227322,FC(F)(F)c1cc(c(F)cc1)C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL3953697,C1COCCN1c(cc(=O)[nH]2)nc2CC(=O)N(CC3)c(c34)cccc4-c5c(F)cccc5 +CHEMBL270640,c1ncccc1C#Cc(cc2)cc3c2ncc(c34)nc(CC)n4-c(cc5)ccc5CC#N +CHEMBL1257873,c1cc(Cl)ccc1C[C@@H](N)C(=O)N2CCN(CC2)c3ncnc(c34)ccc(c4)NC(=O)C +CHEMBL2177820,C1CCCCC1C(=O)NCc2ccc(cc2)-n(c(c34)nccc3)c(n4)-c5c(N)nccc5 +CHEMBL4216977,COc(cc1)ccc1C2(CCNCC2)C(=O)N3CCN(CC3)c4ncnc(c45)[nH]cc5Br +CHEMBL4213657,c1cc(Cl)c(Cl)cc1C2(CCNCC2)C(=O)N3CCN(CC3)c4ncnc(c45)[nH]cc5Cl +CHEMBL4536780,FC(F)(F)c1ccc(cc1)C2C(CNCC2)NC(=O)c(c3)oc(Cl)c3-c4c(Cl)cnn4C +CHEMBL3684347,CC(C)(C)CC(=O)Nc(cc1)ccc1-c(nn2)n3c(cccn4)c4Nc(c5c23)cccc5 +CHEMBL4545734,Cn1ncc(Cl)c1-c(cs2)cc2C(=O)N[C@H](CNCC3)[C@@H]3c(c4)ccc(Cl)c4C(F)(F)F +CHEMBL592898,Cc1n[nH]c(c12)ccc(c2)-c(c3C#CCCO)cc(cn3)OC[C@@H](N)Cc4ccccc4 +CHEMBL604060,c1ccccc1C[C@H](N)COc(cn2)cc(c2-c3ccsc3)-c(c4)ccc(c45)[nH]nc5C +CHEMBL3684360,o1cccc1C(=O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 +CHEMBL227326,O1C(F)(F)Oc(c12)cccc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)[nH]nc5C +CHEMBL3897830,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCO)cc3-c(c4)ccc(F)c4C +CHEMBL375717,FC(F)(F)c1c(F)cc(cc1)C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL3969016,N#Cc1c(N)ncnc1N(CC2)CCC2c(n3)n(CCNC)cc3-c(c4)ccc(F)c4C +CHEMBL3649673,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4ccccc4)c(c35)nc(cc5)-c6ccccc6 +CHEMBL3112859,C1COCCN1c(cc(=O)[nH]2)nc2CC(=O)N(CC3)c(c34)cccc4N(CC5)CCN5C +CHEMBL3649672,C1CCC1(N)c2ccc(cc2)-n(c(n3)-c4cccnc4)c(c35)nc(cc5)-c6ccccc6 +CHEMBL227271,c1ccc(OC(F)(F)F)cc1C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL227323,FC(F)(F)c1cc(F)c(cc1)C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL3699795,C1COCCN1c(cc(=O)[nH]2)nc2CC(=O)Nc3c(cc(F)cc3)OCC4CCNCC4 +CHEMBL226627,FC(F)(F)c1c(F)ccc(c1)C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL2325733,c1cc(Cl)ccc1C(CS(=O)(=O)N)NC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL3924930,Cc1c(F)ccc(c1)-c2cn(CCO)c(n2)C3CCN(CC3)c4ncnc(N)c4OCC +CHEMBL4585120,FC(F)(F)c1cc(ccc1)[C@H]2[C@@H](CNCC2)NC(=O)c(c3)oc(Cl)c3-c4c(Cl)cnn4C +CHEMBL2325732,c1cc(Cl)ccc1C(CNC(=O)C)NC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL594749,c1ccccc1C[C@H](N)COc(cn2)cc(c2-c3ccc[nH]3)-c(c4)ccc(c45)[nH]nc5C +CHEMBL572905,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)[nH]nc5N(C)C +CHEMBL206924,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)cnc(c5)CC +CHEMBL4284849,c1cc(Cl)c(Cl)cc1C2(CCNCC2)C(=O)N3CCN(CC3)c4ncnc(c45)[nH]nc5Br +CHEMBL3929885,NC(=O)c1c(N)ncnc1N(CC2)CCC2c(n3)n(CCN4CCC4)cc3-c5cnoc5 +CHEMBL577375,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)NC(=O)C5CC +CHEMBL4793499,c1cc(Cl)ccc1C(CNCC)C(=O)N2CCN(CC2)c3ncnc(c3c45)sc4CCC5 +CHEMBL521642,n1onc(N)c1-c(n2)n(CC)c(c23)c(cnc3C#CC(C)(C)O)OC[C@@H]4CCCNC4 +CHEMBL228757,NC(=O)Nc(c1)ccc(c12)NC(=O)C\2=C(\C)c3cc(c[nH]3)CNC(=O)C4CCNCC4 +CHEMBL228756,NC(=O)Nc(c1)ccc(c12)NC(=O)C\2=C(\C)c3cc(c[nH]3)CNC(=O)c4ccncc4 +CHEMBL2325739,c1cc(Cl)ccc1C(CCCO)NC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL3699704,COCCOc(n1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703121,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)cc(cc5)-c6cnc[nH]6 +CHEMBL494089,n1onc(N)c1-c(n2)n(CC)c(c23)c(cnc3C#CC(C)(C)O)OC[C@H]4CCCNC4 +CHEMBL1079175,C1CCC1(N)c2ccc(cc2)-c(c(c3)-c4ccccc4)nc(c3c56)ccn6c(=O)[nH]n5 +CHEMBL3699679,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)cc(cc5)-n6cccn6 +CHEMBL210390,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)cnc(c5)N +CHEMBL3703109,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)ccc(c5)-c6cnc[nH]6 +CHEMBL3703118,CCNC(=O)c(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703124,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)cc(cc5)-c6cn[nH]c6 +CHEMBL1257163,FC(F)(F)c1ccc(cc1)C[C@@H](N)C(=O)N2CCN(CC2)c3ncnc(c34)cccc4 +CHEMBL228811,NC(=O)Nc(c1)ccc(c12)NC(=O)C\2=C(\C)c3cc(c[nH]3)CNC(=O)C4CNCCN4 +CHEMBL388739,NC(=O)Nc(c1)ccc(c12)NC(=O)C\2=C(\C)c3cc(c[nH]3)CNC(=O)c4cccnc4 +CHEMBL2325740,c1cc(Cl)ccc1C(CCOC)NC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL3672493,C1CCC1(N)c2ccc(cc2)-c(c(c3)-c4ccccc4)nn(c35)c(cn5)-c6cn[nH]c6 +CHEMBL3672496,C1CCC1(N)c2ccc(cc2)-c(c(c3)-c4ccccc4)nn(c35)c(cn5)-c6ccn[nH]6 +CHEMBL3699736,COC(=O)c(cc1Cl)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703112,CCOC(=O)c(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703122,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)cc(cc5)-c6ncc[nH]6 +CHEMBL3703159,NC(=O)CCc(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699676,COc1cc(C(=O)N)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699677,CNC(=O)Nc(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699674,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)ccc(c5)-n6cccn6 +CHEMBL3699700,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)ccc(c5)-c6cn[nH]c6 +CHEMBL3699773,Cc1c(C)c(C(=O)N)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703150,CS(=O)(=O)Nc(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL1794065,n1onc(N)c1-c(n2)n(CC)c(c23)c(cnc3C#CC(C)(C)O)OCC4CCNCC4 +CHEMBL599848,FC(F)(F)Oc(cc1)ccc1CNC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL2325990,CS(=O)(=O)c(cc1)ccc1C(C)NC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL228750,c1cnccc1CCNC(=O)c2cc([nH]c2)/C=C/3C(=O)Nc(c34)ccc(c4)NC(=O)N +CHEMBL228701,C1CCCCN1CCNC(=O)c2cc([nH]c2)/C=C/3C(=O)Nc(c34)ccc(c4)NC(=O)N +CHEMBL3701719,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)cccc6F +CHEMBL3672509,c1ccccc1-c(c2)c(nn(c23)c(cn3)\C=C\C(=O)N)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3679629,N=C(N)n1c(=N)ccc(c12)nc(c(c2)-c3ccccc3)-c(cc4)ccc4C5(N)CCC5 +CHEMBL388184,C1COCCN1CCNC(=O)c2cc([nH]c2)/C=C/3C(=O)Nc(c34)ccc(c4)NC(=O)N +CHEMBL3931748,COc1nc(C(=O)N)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703116,NC(=O)/C=C/c(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3679630,CC(=N)n1c(=N)ccc(c12)nc(c(c2)-c3ccccc3)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703134,CCOC(=O)c(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703149,CNC(=O)Nc(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703127,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)cc(cc5)-c6nn[nH]n6 +CHEMBL3703133,NC(=O)/C=C/c(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703107,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)ccc(c5)-c6cc[nH]n6 +CHEMBL3699747,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)cccc5-c6ccn[nH]6 +CHEMBL3703108,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n(c35)ccc(c5)-c6ncc[nH]6 +CHEMBL3699719,CCOC(=O)c1cccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703162,NC(=O)COc(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL2177385,c1cc(Cl)ccc1[C@@H](CNC(C)C)C(=O)N2CCN(CC2)c3ncnc(c34)CC[C@H]4C 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+CHEMBL4576518,c1ccnc(N)c1-c(n2)n(-c(cc3)ccc3CN)c(c24)nc(cc4)-c5cn[nH]c5.Cl +CHEMBL3699701,COC(=O)c1cccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699682,CCCOc(n1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703119,ONC(=O)c(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL524998,COc(cc1)ccc1C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c3ccnc(c34)[nH]cc4 +CHEMBL3703151,COc1cc(C=C)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3701729,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)cccc6 +CHEMBL3701751,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)cncc6 +CHEMBL2012702,CN(C)CCNc(c1C)cc(Cl)cc1N2CCN(CC2)c3ncnc(c34)[nH]nc4Br +CHEMBL3701731,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccncc4)n5COc(c6c35)cccc6 +CHEMBL3895917,COc1nc(CC)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699713,COC(=O)c(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703137,COc1cc(OC)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703166,[C-]#[N+]COc(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703147,CC(=O)Nc(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703164,[C-]#[N+]COc(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699689,CNC(=O)c(cc1)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL494088,CC(C)(O)C#Cc1ncc(c(c12)n(CC)c(n2)-c3c(N)non3)OCC4CCNC4 +CHEMBL606200,CC(C)(C)c1ccc(cc1)CNC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL379300,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)[nH]nc5C +CHEMBL3701748,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)ccnc6 +CHEMBL228749,[nH]1cncc1CCNC(=O)c2cc([nH]c2)/C=C/3C(=O)Nc(c34)ccc(c4)NC(=O)N +CHEMBL4568087,C1CCC[C@H](N)[C@@H]1NC(=O)c2cc(cs2)-c3cnn(c34)cc(cn4)-c5cnn(C)c5 +CHEMBL374611,CC(=O)Nc(ccc1)cc1-c(c[nH]2)cc2/C=C/3C(=O)Nc(c34)ccc(c4)NC(=O)N +CHEMBL599847,FC(F)(F)c1ccc(cc1)CNC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL3701744,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)cccn6 +CHEMBL3699712,COC(=O)c(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703138,COc1cc(CC)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703148,c1ccccc1-c(n(c23)cc(cc2)NC(=O)N)c(n3)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699768,c1ccccc1-c(n(c23)cc(C(=O)N)cc2Br)c(n3)-c(cc4)ccc4C5(N)CCC5 +CHEMBL4513257,c1ccnc(N)c1-c(n2)n(-c(cc3)ccc3CN)c(c24)nc(cc4)-c5ccccc5 +CHEMBL3703143,CC(=O)Nc(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703157,c1ccccc1-c(n(c23)cc(C(=O)N)cc2Cl)c(n3)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699755,N#Cc1c(OC)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699767,NC(=O)c1cc(Br)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699774,Cc1cc(C(=O)N)cn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3703144,NC(=O)Nc(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699707,CC(C)Oc(n1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3699735,c1ccccc1-c(n(c23)cc(cc2)C(=O)NO)c(n3)-c(cc4)ccc4C5(N)CCC5 +CHEMBL3701754,C1CCC1(N)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5COc(c6c35)nccc6 +CHEMBL2325730,c1cc(Cl)ccc1C(C(=O)N)NC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL2325983,c1cc(Cl)ccc1C(C2CC2)NC(=O)C3(N)CCN(CC3)c4ncnc(c45)[nH]cc5 +CHEMBL2325738,c1cc(Cl)ccc1C(CCO)NC(=O)C2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL3703114,CNC(=O)c(c1)ccn(c12)c(-c3ccccc3)c(n2)-c(cc4)ccc4C5(N)CCC5 +CHEMBL1257166,c1cc(Cl)ccc1C[C@@H](CN(C)C)C(=O)N2CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL211865,c1cccc(c12)scc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)cncc5 +CHEMBL1258910,OCCO[C@H](CC1)CC[C@@H]1n(c(c23)nc(N)nc2C)c(=O)c(n3)-c(cn4)ccc4C +CHEMBL263510,c1cccc(c12)scc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)[nH]nc5C +CHEMBL202787,c1cnc(NC)cc1/C=C/c2cc(cnc2)OC[C@@H](N)Cc3c[nH]c(c34)cccc4 +CHEMBL207496,c1cccc(c12)[nH]cc2C[C@H](N)COc3cncc(c34)nc(cc4)-c5ccncc5 +CHEMBL206819,c1cccc(c12)[nH]cc2C[C@H](N)COc(c3)cnc(c34)ccc(c4)-c5ccncc5 +CHEMBL3113141,C1CCCCC1NC(c2ccc(Cl)cc2)c3ccc(cc3)-c4ncnc(c45)[nH]cn5 +CHEMBL3684525,Cc(c1)ccc(c1c23)Nc4c(cccn4)n3c(nn2)-c(cc5)ccc5C6(N)CCC6 +CHEMBL581848,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c4cccc(c45)cncc5 +CHEMBL577795,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)[nH]nc5N +CHEMBL3696288,FC(F)C(F)(F)Oc(ccc1)cc1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3906130,FC(F)(F)c1c(F)ccc(c1)-c2c[nH]c(n2)C3CCN(CC3)c4ncnc(c4Br)N +CHEMBL4550916,c1ccnc(N)c1-c(n2)n(-c(cc3)ccc3CN)c(c24)ncc(c4)-c5cccnc5 +CHEMBL376792,Brc1cc(F)cc(F)c1C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL229798,c1cc(F)c(F)c(F)c1C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL1080569,FC(F)(F)c1ccc(cc1)C[C@H](N)CNc(s2)nnc2-c(c3)ccc(c34)cncc4 +CHEMBL1258780,c1cc(Cl)ccc1C[C@@H](N)C(=O)N2CCN(CC2)c3ncnc(c34)[nH]cc4C5CC5 +CHEMBL1257513,CC(C)c1ccc(cc1)C[C@@H](CN)C(=O)N2CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL1235979,c1cccc(c12)[nH]cc2C[C@@H](N)C(=O)N3CCN(CC3)c4ncnc(c45)CS[C@H]5C +CHEMBL4560290,c1cc(Cl)ccc1[C@H]2[C@@H](CNCC2)NC(=O)c(c3)n(C)c(Br)c3-c4c(Br)cnn4C +CHEMBL4212569,c1cc(Cl)ccc1C2(CCNCC2)C(=O)N3CCN(CC3)c4ncnc(c45)[nH]cc5 +CHEMBL3112854,FC(F)(F)Oc1cccc(c12)N(CC2)C(=O)Cc3nc(cc(=O)[nH]3)N4CCOCC4 +CHEMBL4587088,c1nn(C)c(c1Br)-c(nc2)ccc2C(=O)N[C@H](CNCC3)[C@@H]3c4cc(F)c(F)cc4 +CHEMBL4465572,c1cc(F)c(F)cc1C2C(CNCC2)NC(=O)c(c3)oc(Cl)c3-c4c(Cl)cnn4C +CHEMBL4574492,c1nn(C)c(c1Cl)-c(cc2)ccc2C(=O)N[C@H](CNCC3)[C@@H]3c4cc(F)c(F)cc4 +CHEMBL4446884,c1cc(Cl)ccc1[C@H]2[C@@H](CNCC2)NC(=O)c(c3)n(C)c(Cl)c3-c4c(Cl)cnn4C +CHEMBL4533641,c1cc(F)c(F)cc1[C@@H]2[C@H](CNCC2)NC(=O)c(c3)oc(Cl)c3-c4c(Cl)cnn4C +CHEMBL381785,CC(=O)Nc(cc1)ccc1-c2cc(cnc2)OC[C@@H](N)Cc3c[nH]c(c34)cccc4 +CHEMBL3936766,FC(F)Oc1cccc(c12)N(CC2)C(=O)Cc3nc(cc(=O)n3C)N4CCOCC4 +CHEMBL3964324,FC(F)Oc1cccc(c12)N(C(C)C2)C(=O)Cc3nc(cc(=O)[nH]3)N4CCOCC4 +CHEMBL3693559,C[C@H]1COCCN1c2nc(N3CCOCC3)nc(c24)nc(cc4)-c5ccc(N)nc5 +CHEMBL1080911,FC(F)(F)c1ccc(cc1)C[C@H](N)CNc(s2)nnc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL573394,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)nncc5 +CHEMBL226148,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)[nH]nc5Cl +CHEMBL3684532,c1cc(C)cc(c1c23)Nc4c(cccn4)n3c(nn2)-c(cc5)ccc5C6(N)CCC6 +CHEMBL3684343,CCCC(=O)Nc(cc1)ccc1-c(nn2)n3c(cccn4)c4Nc(c5c23)cccc5 +CHEMBL2375954,NC(=O)CO[C@H](CC1)CC[C@@H]1n(c(c23)nc(N)nc2C)c(=O)c(c3)-c4cnn(C)c4 +CHEMBL2375960,NC(=O)CO[C@@H](CC1)CC[C@@H]1n(c(c23)nc(N)nc2C)c(=O)c(c3)-c4cnn(C)c4 +CHEMBL2375365,OCO[C@H](CC1)CC[C@@H]1n(c(c23)nc(N)nc2C)c(=O)c(c3)-c4cnc(nc4)OC +CHEMBL2376095,OCO[C@@H](CC1)CC[C@@H]1n(c(c23)nc(N)nc2C)c(=O)c(c3)-c4ccc(nc4)OC +CHEMBL1823630,FC(F)(F)c1ccc(cc1)C[C@H](N)CNc(s2)nnc2-c(c3)ccc(c34)NC(=O)C4 +CHEMBL3951881,c1c(F)c(F)cc(c12)N(C(C)C2)C(=O)Cc3nc(c(F)c(=O)n3C)N4CCOCC4 +CHEMBL3917496,Fc1c(F)ccc(c12)N(C(C)C2)C(=O)Cc3nc(c(F)c(=O)n3C)N4CCOCC4 +CHEMBL574986,c1cc(F)c(F)c(F)c1C[C@H](N)COc(cnc2)cc2-c(c3)ncc(c34)[nH]nc4C +CHEMBL577134,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(cc4)cc(c45)sc(=O)[nH]5 +CHEMBL3684528,C1CCC1(N)c2ccc(cc2)-c(nn3)n4c(cccn5)c5Nc(c6c34)ccc(Br)c6 +CHEMBL1081660,FC(F)(F)c1ccc(cc1)C[C@H](N)CNc(s2)ncc2-c(c3)ccc(c34)onc4N +CHEMBL1080561,FC(F)(F)c1cc(ccc1)C[C@H](N)CNc(s2)nnc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL1081105,FC(F)(F)c1ccc(cc1)C[C@H](N)CCc2cc(no2)-c(c3)ccc(c34)cncc4 +CHEMBL573393,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ccc(c45)nccc5 +CHEMBL376569,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)ncc(c45)[nH]nc5C +CHEMBL388729,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)c(N)cc(c45)[nH]nc5 +CHEMBL575385,c1cccc(c12)[nH]cc2C[C@H](N)COc(cnc3)cc3-c(c4)cnc(c45)NC(=O)C5 +CHEMBL1081104,FC(F)(F)c1ccc(cc1)C[C@H](N)CNc(on2)cc2-c(c3)ccc(c34)cncc4 +CHEMBL388809,Fc1cc(F)cc(F)c1C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C +CHEMBL1081853,FC(F)(F)c1ccc(cc1)C[C@H](N)CNc(s2)ncc2-c(cc3)cc(c34)sc(=O)[nH]4 +CHEMBL1257751,c1cc(Cl)ccc1C[C@@H](N)C(=O)N2CCN(CC2)c3ncnc(c34)ccc(c4)NC +CHEMBL471059,c1ccccc1CC(CNCC)NC(=O)c2cc(Br)c(s2)-c3ccnc(c34)[nH]cc4 +CHEMBL226577,c1c(F)ccc(OC)c1C[C@H](N)COc(cnc2)cc2-c(c3)ccc(c34)[nH]nc4C 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+CHEMBL188434,n1onc(N)c1-c(n2CC)nc(c23)cncc3CNC4CCNCC4 +CHEMBL597819,c1ccc(OC)cc1CC2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL1098241,CC(C)(O)C#Cc1nc(CN)cc(c12)n(CC)c(n2)-c3c(N)non3 +CHEMBL521823,n1onc(N)c1-c(n2CC)nc(c23)cncc3OCC4CCNCC4 +CHEMBL597212,c1ccc(Cl)c(Cl)c1CC2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL603680,c1cc(Cl)c(Cl)cc1CC2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL605212,c1cc(F)cc(Cl)c1CC2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL409503,c1cc(Cl)ccc1CC2(CN)CCN(CC2)c3ncnc(c34)[nH]cn4 +CHEMBL228042,c1cc(Cl)ccc1C(NC)c2ccc(cc2)-c3ncnc(c34)[nH]cn4 +CHEMBL597415,Clc1cccc(Cl)c1CC2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL474391,C1C(=O)O[C@@H]([C@@H]12)C3=C([C@H](O2)CCC)C(=O)c4c(C3=O)cccc4OC +CHEMBL3696287,Fc1c(I)cc(cc1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL203673,c1cnccc1/C=C/c2cc(cnc2)OC[C@@H](N)Cc3ccccc3 +CHEMBL2151048,Fc1c(Br)cc(cc1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3696258,Cc1c(F)c(ccc1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3699791,c1cccc(c12)CN(C2)C(=O)Cc3nc(cc(=O)[nH]3)N4CCOCC4 +CHEMBL4558319,NCc1ccc(cc1)-n(c(c23)ncc(Br)c2)c(n3)-c4c(N)nccc4 +CHEMBL3699800,Brc1cccc(c1O)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3696265,C#Cc1cc(ccc1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3696236,c1cc(F)cc(F)c1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3696280,c1cc(F)cc(Br)c1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL4568743,Cc1ccnc(c12)n(-c(cc3)ccc3CN)c(n2)-c4c(N)nccc4 +CHEMBL4565210,NCc1ccc(cc1)-n(c(c23)ncc(C)c2)c(n3)-c4c(N)nccc4 +CHEMBL523695,N[C@@H]1CCN(C1)C(=O)c2cncc(c23)nc(n3CC)-c4c(N)non4 +CHEMBL521638,c1sccc1[C@@H](O2)C(=C3[C@H]([C@H]24)OC(=O)C4)C(=O)c5c(C3=O)cccc5 +CHEMBL258837,N#Cc1c[nH]c(c12)ncnc2N(C3)c(cccc4)c4C35CCNCC5 +CHEMBL2151924,Fc1c(F)ccc(c1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL2151925,Cc1c(F)ccc(c1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3699803,n1cccc(c12)N(CC2)C(=O)Cc3nc(cc(=O)[nH]3)N4CCOCC4 +CHEMBL3113136,c1cc(Cl)ccc1C(NC(C)(C)C)c2ccc(cc2)-c3ccncc3 +CHEMBL3699807,Cc1c(O)c(ccc1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3127380,c1ccccc1CC(N)C(=O)N2CCN(CC2)c3ncnc(c3Br)N +CHEMBL2347053,c1cccc([N+]([O-])=O)c1-c(n[nH]c2)c2/C=C/3C(=O)Nc(c34)cccc4 +CHEMBL475401,s1cccc1[C@@H](O2)C(=C3[C@H]([C@H]24)OC(=O)C4)C(=O)c5c(C3=O)cccc5 +CHEMBL3696249,c1c(F)ccc(c1C)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL2151922,c1ccc(OC)cc1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3112690,c1cccc(c12)N(CC2)C(=O)Cc3nc(cc(=O)[nH]3)N4CCOCC4 +CHEMBL3679720,c1cccc(c1c23)Nc4c(cccn4)n2c(nn3)-c5ccc(N)cc5 +CHEMBL2151926,Fc1c(Cl)cc(cc1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL1173304,c1ccccc1NC(=O)N[C@@H]2CCN(C2)c3ncnc(c34)[nH]cc4C +CHEMBL469560,c1ccccc1C(CN)NCc2ccc(s2)-c3ccnc(c34)[nH]cc4 +CHEMBL493066,C1CNCCN1C(=O)c2cncc(c23)nc(n3CC)-c4c(N)non4 +CHEMBL3639951,Fc1cccc(c1F)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL469561,c1ccccc1C(CN)CNc(s2)ccc2-c3ccnc(c34)[nH]cc4 +CHEMBL1956071,N[C@H]1CCN(C1)C(=O)c2cncc(c23)nc(n3CC)-c4c(N)non4 +CHEMBL1173697,Cc1c[nH]c(c12)ncnc2N(C3)CC[C@H]3NS(=O)(=O)c4ccccc4 +CHEMBL3696282,c1ccc(Br)cc1NC(=O)Cc2nc(cc(=O)n2C)N3CCOCC3 +CHEMBL3696238,c1cccc(OC)c1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3935564,c1cc(F)ccc1NC(=O)Cc2nc(cc(=O)[nH]2)N(CCO3)CC3C +CHEMBL3696295,Fc1cccc(c1O)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3696239,c1c(F)cc(F)cc1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL4545250,NCc1ccc(cc1)-n(c(c23)nc(Cl)cc2)c(n3)-c4c(N)nccc4 +CHEMBL377568,c1cc(Cl)cc(Cl)c1CCNC(=O)c2ccc(s2)-c3ccnc(n3)N +CHEMBL405384,c1cc(Cl)ccc1C(N)C2CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL259999,c1cc(Cl)ccc1CC2(N)CCN(CC2)c3ncnc(c34)[nH]cn4 +CHEMBL260463,c1cc(Cl)ccc1C2(CN)CCN(CC2)c3ccnc(c34)[nH]cc4 +CHEMBL261034,c1cc(Cl)ccc1C(N)C2CCN(CC2)c3ncnc(c34)[nH]cn4 +CHEMBL598438,c1ccc(Cl)cc1CC2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL227605,c1ccccc1CC(N)c2ccc(cc2)-c3ncnc(c34)[nH]cn4 +CHEMBL260358,c1cc(Cl)ccc1C2(CN)CCN(CC2)c3ncnc(c34)[nH]cn4 +CHEMBL228649,O=C(O)c1c(C)c([nH]c1)/C=C/2C(=O)Nc(c23)ccc(c3)NC(=O)N +CHEMBL493911,n1onc(N)c1-c(n2CC)nc(c23)cncc3OC4CCNCC4 +CHEMBL263664,c1cc(Cl)ccc1CC2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL598439,c1cccc(Cl)c1CC2(N)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL406863,c1cc(Cl)ccc1C2(CN)CCN(CC2)c3ncnc(c34)[nH]cc4 +CHEMBL226712,c1cc(Cl)ccc1C(N)c2ccc(cc2)-c3ncnc(c34)[nH]cn4 +CHEMBL598013,c1cc(Cl)ccc1CC2(N)CCN(CC2)c3ccnc(c34)[nH]nc4 +CHEMBL260577,c1cc(Cl)ccc1C(N)C2CCN(CC2)c3ccnc(c34)[nH]cc4 +CHEMBL596991,c1cc(Cl)ccc1CC2(N)CCN(CC2)c3ccnc(c34)[nH]cc4 +CHEMBL1258911,Cc1nc(N)nc(c12)n(c(=O)c(n2)-c3cc[nH]n3)C4CCOCC4 +CHEMBL259163,Cc1c[nH]c(c12)ncnc2N(C3)c(cccc4)c4C35CCNCC5 +CHEMBL449964,C1CNCCC12c3c(ccc(Cl)c3)N(C2)c4ncnc(c45)[nH]cc5 +CHEMBL411515,Clc1c[nH]c(c12)ncnc2N(C3)c(cccc4)c4C35CCNCC5 +CHEMBL474390,C1C(=O)O[C@@H]([C@@H]12)C3=C([C@H](O2)CCC)C(=O)c4c(C3=O)cccc4O +CHEMBL444165,O=C(O)C[C@H](C1)O[C@H](CCC)C(C2=O)=C1C(=O)c(c23)cccc3O +CHEMBL1171485,FC(F)(F)C(=O)NCC1(N)CCN(C1)c2ncnc(c23)[nH]cc3C +CHEMBL2177847,NCc1ccc(cc1)-n(c(c23)nccc2)c(n3)-c4c(N)nccc4 +CHEMBL407718,C1CNCCC12c3c(ccc(F)c3)N(C2)c4ncnc(c45)[nH]cc5 +CHEMBL1170238,c1ccccc1C(=O)N[C@@H]2CCN(C2)c3ncnc(c34)[nH]cc4C +CHEMBL2151819,c1cccc(F)c1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL504537,C1CCCC12C3=C([C@@H]4[C@H](O2)CC(=O)O4)C(=O)c5c(C3=O)cccc5 +CHEMBL3113144,c1cc(Cl)ccc1C(NCC(C)C)c2ccc(cc2)-c3cn[nH]c3 +CHEMBL2151821,c1cc(F)ccc1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3112595,c1cc(Cl)ccc1C(NC(C)(C)C)c2ccc(cc2)-c3cn[nH]c3 +CHEMBL3113134,c1cc(Cl)ccc1C(NC(C)C)c2ccc(cc2)-c3ccncc3 +CHEMBL2151923,c1ccc(Br)cc1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL2151919,Cc1cc(ccc1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL2151820,c1ccc(F)cc1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3696247,Fc1ccc(nc1)NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3696272,c1ccc(I)cc1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL506153,CNCCNC(=O)c1cncc(c12)nc(n2CC)-c3c(N)non3 +CHEMBL2151930,c1ccccc1NC(=O)Cc2nc(cc(=O)n2C)N3CCOCC3 +CHEMBL258838,C1CN(C)CCC12c3c(cccc3)N(C2)c4ncnc(c45)[nH]cc5 +CHEMBL2151921,c1ccc(Cl)cc1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 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+CHEMBL3113145,c1cc(Cl)ccc1C(NC2CC2)c3ccc(cc3)-c4cn[nH]c4 +CHEMBL3113149,c1cc(Cl)ccc1C(NCCO)c2ccc(cc2)-c3cn[nH]c3 +CHEMBL3414686,CC(C)CCCC(O1)(C)CCc(c12)cc(S(=O)(=O)N)c(C)c2C +CHEMBL383254,c1cnccc1/C=C/c2cc(cnc2)C(CN)c3ccccc3 +CHEMBL2177816,c1ccnc(c12)n(-c(cc3)ccc3N)c(n2)-c4c(N)nccc4 +CHEMBL3544960,c1cc(Cl)ccc1[C@](O)(CN)c2ccc(cc2)-c3cn[nH]c3 +CHEMBL428963,Cc1nnc([nH]1)-c2c(cccc2)Nc3ncnc(c34)[nH]cc4 +CHEMBL409880,Cc1c[nH]c(c12)ncnc2Nc(cccc3)c3-c4nnc[nH]4 +CHEMBL1254115,Nc1ncnc(c12)n(C(C)(C)C)nc2Cc3cc(I)ccc3 +CHEMBL3414688,CC(C)CCCC(O1)(C)CCc(c12)cc(cc2Br)S(=O)(=O)N +CHEMBL3414677,FC(F)(F)c1cc(O)cc(c12)CCC(O2)(C)CCCC(C)C +CHEMBL1908343,O=C(O1)OC(C12)OC(C)C3=C2C(=O)c4c(C3=O)c(O)ccc4 +CHEMBL260990,Clc1c[nH]c(c12)ncnc2Nc(cccc3)c3-c4nnc[nH]4 +CHEMBL3696237,c1sccc1NC(=O)Cc2nc(cc(=O)[nH]2)N3CCOCC3 +CHEMBL3414687,CC(C)CCCC(O1)(C)CCc(c12)cc(cc2F)S(=O)(=O)N +CHEMBL228654,[nH]1cccc1C(\C)=C\2C(=O)Nc(c23)ccc(c3)NC(=O)N +CHEMBL574646,n1ccccc1/C=C2/C(=O)\C(CNC2)=C\c3ccccn3 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diff --git a/data/akt/4gv1_0XZ_BS_adj_euc.csv b/data/akt/4gv1_0XZ_BS_adj_euc.csv deleted file mode 100644 index deecabd..0000000 --- a/data/akt/4gv1_0XZ_BS_adj_euc.csv +++ /dev/null @@ -1,499 +0,0 @@ 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diff --git a/data/akt/akt3_0XZ_BS_adj_euc.csv b/data/akt/akt3_0XZ_BS_adj_euc.csv deleted file mode 100644 index 9486f95..0000000 --- a/data/akt/akt3_0XZ_BS_adj_euc.csv +++ /dev/null @@ -1,499 +0,0 @@ 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-4,3 +4,9 @@ pip install gdown gdown --fuzzy -q "https://drive.google.com/file/d/1kDpTm36X3ugpr6Ooo4Fg_dkNRZhQ5EMC/view?usp=share_link" gdown --fuzzy -q "https://drive.google.com/file/d/13h465yaIbrAp5tcGbIwhxriorejr6Fsz/view?usp=share_link" + +gdown --fuzzy -q "https://drive.google.com/file/d/1cSn4NwCeN0TEPkVWKQvVThQ8tqUb92Yo/view?usp=drive_link" + +gdown --fuzzy -q "https://drive.google.com/file/d/1EyHzJhyDfkZvuU9yVRcWhkIRpZkUlPJ_/view?usp=drive_link" + +gdown --fuzzy -q "https://drive.google.com/file/d/1xFeJVzeaLIjf_VVY5gh65vvlDcacGYHh/view?usp=drive_link" \ No newline at end of file diff --git a/data/filtered_akt_inhibitors.smi b/data/filtered_akt_inhibitors.smi deleted file mode 100644 index bc1980c..0000000 --- a/data/filtered_akt_inhibitors.smi +++ /dev/null @@ -1,1600 +0,0 @@ -Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCC2)CC1 -COC(=O)c1ccc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)cc1 -Cl.Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(C2(N)CCC2)cc1 -NCC(NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1 -CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(OC)c3)cn2CCN2CCC2)CC1 -NC1(c2ccc(-c3nc4cc(Cl)c(Cl)cn4c3-c3ccccc3)cc2)CCC1 -c1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc5cccnc5[nH]4)CC3)cc2)cc1 -NC1CCCN(c2ncnc3[nH]cc(Cl)c23)C1 -CNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C2C=NOC2)CC1 -CNCCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1 -COc1cccc2c1-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2 -NC1(C(=O)N2CCc3ccccc3C2)CCN(c2ncnc3[nH]ccc23)CC1 -Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc12 -Nc1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)[nH]2)cn1 -Cc1ccc(-c2nc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1 -NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3nccnc3-4)cc2)CC(O)(C2CC2)C1 -Cn1cc(-c2cnc3c(-c4csc(C(=O)NC5CCCCC5N)c4)cnn3c2)cn1 -CC1Cc2c(F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C -CC(C)(C)NCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1 -C=Cc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 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-CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(Cl)c3)cn2CCN2CCC2)CC1 -COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CCC(c5n[nH]c(-c6cccc(C)n6)n5)CC4)cc3)nc12 -CCN(c1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1)S(=O)(=O)c1ccc(OC)cc1 -CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(N)=O)c3)cn2CCN2CCC2)CC1 -NC(COc1cncc(C=Cc2ccnc(NCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 -Cc1occc1-c1nc(N)c(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2c1 -CC(C)NCC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2C(C)OC3)CC1 -NC1(c2ccc(-c3nc4nc(-c5ccccc5)ccn4c3-c3ccccc3)cc2)CCC1 -Cc1cnn(C)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1.Cl -O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-c5nn[nH]n5)cc4nc3-c3ccccc3)cc2)CC1 -O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(F)c1F -c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5ccncc5)[nH]n4)CC3)cc2)cc1 -Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl -CC(C)Nc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(-c3ccccn3)nn12 -Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccccc4F)C3)c12 -CCN(CC)CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21 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-Nc1ncccc1-c1nc2ccc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1ccc(C2(N)CCC2)cc1 -CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCC(N)c3ccccc3)cc21 -O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cc2ccccc2s1 -COCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1 -Nc1cc2cc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)ccc2cn1 -NC1(c2ccc(-c3nn4c(-c5ccn[nH]5)cnc4cc3-c3ccccc3)cc2)CCC1 -NC1(C(=O)NC(CCCN2CCOCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1 -CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1 -ClCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 -Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C)c(Br)n6cc5-c5ccccc5)cc4)C3)n[nH]2)n1 -CCOc1cccc2c1-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2 -CCOc1cccc2c1-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2 -Cc1ccc2c(c1)-c1nnc(-c3ccc(C4(N)CCC4)cc3)n1-c1cccnc1N2 -COC(=O)c1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2n1 -Nc1noc2ccc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc12 -CCn1c(CC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)cc1=O -COC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c(OC)n1 -Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(F)c4F)c3)cc12 -CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1 -Cc1n[nH]c2cnc(-c3cc(OCC(N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12 -COc1cc(F)ccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1 -Nc1ncnc2nc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12 -CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(C#N)C3)cn2)cs1)C(F)(F)F -CN(C)CCNC(=O)c1cccc(-c2c[nH]c(C=C3C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1 -NC1(c2ccc(-c3nc4n(c3-c3ccsc3)COc3ccccc3-4)cc2)CCC1 -Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4F)C3)c12 -Cc1cc(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 -CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2ncc(Br)n12 -Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1 -Cn1c(CC(=O)N2CCc3c(OC(F)F)cccc32)nc(N2CCOCC2)cc1=O -NC1(c2ccc(-c3nc4c5cc(-c6ccc(F)c(CO)c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1 -Cc1c(NCCN(C)C)cc(Cl)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1 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-Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccc[nH]3)cc12 -O=C1Nc2ccccc2C1=Cc1c[nH]nc1-c1ccccc1[N+](=O)[O-] -O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cnc2ccccc2n1 -CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(N4CCOCC4)C3)cn2)cs1)C(F)(F)F -NC(=O)c1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 -CCOc1cccc2c1-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2 -CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)C1 -Clc1cnc2nc(-c3ccc(CN4CC(c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn12 -O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNC1)c1ccc2cnccc2c1 -CC(C)CCCC1(C)CCc2cc(O)cc(F)c2O1 -COCCOc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1 -CCCC(NC(=O)C(CCCNC(=N)N)NC(=O)CN(CCN)C(=O)C(N)CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CN)C(=O)NC(CCC(C)C)C(=O)N(CCCCN)CC(N)=O -CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCN)c21 -COc1cc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 -NCCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1 -NC(Cc1ccc(Br)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1 -O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1 -[C-]#[N+]c1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 -CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C2CC2)CC1 -Cc1ccc(CC(N)C(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1 diff --git a/experiments/inference/.gitignore b/experiments/inference/.gitignore new file mode 100644 index 0000000..86d0cb2 --- /dev/null +++ b/experiments/inference/.gitignore @@ -0,0 +1,4 @@ +# Ignore everything in this directory +* +# Except this file +!.gitignore \ No newline at end of file diff --git a/experiments/inference/de_novo_mols.txt.txt b/experiments/inference/de_novo_mols.txt.txt deleted file mode 100644 index e69de29..0000000 diff --git a/experiments/logs/.gitignore b/experiments/logs/.gitignore new file mode 100644 index 0000000..86d0cb2 --- /dev/null +++ b/experiments/logs/.gitignore @@ -0,0 +1,4 @@ +# Ignore everything in this directory +* +# Except this file +!.gitignore \ No newline at end of file diff --git a/experiments/logs/prot.txt.txt b/experiments/logs/prot.txt.txt deleted file mode 100644 index e69de29..0000000 diff --git a/experiments/models/.gitignore b/experiments/models/.gitignore new file mode 100644 index 0000000..86d0cb2 --- /dev/null +++ b/experiments/models/.gitignore @@ -0,0 +1,4 @@ +# Ignore everything in this directory +* +# Except this file +!.gitignore \ No newline at end of file diff --git a/experiments/models/Prot/prot.txt b/experiments/models/Prot/prot.txt deleted file mode 100644 index e69de29..0000000 diff --git a/experiments/results/.gitignore b/experiments/results/.gitignore new file mode 100644 index 0000000..86d0cb2 --- /dev/null +++ b/experiments/results/.gitignore @@ -0,0 +1,4 @@ +# Ignore everything in this directory +* +# Except this file +!.gitignore \ No newline at end of file diff --git a/experiments/samples/.gitignore b/experiments/samples/.gitignore new file mode 100644 index 0000000..86d0cb2 --- /dev/null +++ b/experiments/samples/.gitignore @@ -0,0 +1,4 @@ +# Ignore everything in this directory +* +# Except this file +!.gitignore \ No newline at end of file diff --git a/experiments/samples/7.png b/experiments/samples/7.png deleted file mode 100644 index 897d99e..0000000 Binary files a/experiments/samples/7.png and /dev/null differ diff --git a/experiments/samples/7.txt b/experiments/samples/7.txt deleted file mode 100644 index 9315e95..0000000 --- a/experiments/samples/7.txt +++ /dev/null @@ -1,100 +0,0 @@ -# edge matrix: -# -0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1.00 0.00 4.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - -# node matrix: -# -3.00 -3.00 -5.00 -5.00 -3.00 -3.00 -3.00 -3.00 -6.00 -3.00 -5.00 -3.00 -5.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -# -# smiles: - - -*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.*.CC(O)OC=C1C=C(F)C(O)CO1 diff --git a/inference.py b/inference.py new file mode 100644 index 0000000..17789a6 --- /dev/null +++ b/inference.py @@ -0,0 +1,318 @@ +import os +import time +import pickle +import random +from tqdm import tqdm +import argparse +import pandas as pd +import torch +from torch_geometric.loader import DataLoader +import torch.utils.data +from rdkit import RDLogger +torch.set_num_threads(5) +RDLogger.DisableLog('rdApp.*') +from rdkit.Chem import QED +from utils import * +from models import Generator +from new_dataloader import DruggenDataset +from loss import generator_loss +from training_data import load_molecules +from smiles_cor import smi_correct + + +class Inference(object): + """Inference class for DrugGEN.""" + + def __init__(self, config): + if config.set_seed: + np.random.seed(config.seed) + random.seed(config.seed) + torch.manual_seed(config.seed) + torch.cuda.manual_seed_all(config.seed) + + torch.backends.cudnn.deterministic = True + torch.backends.cudnn.benchmark = False + + os.environ["PYTHONHASHSEED"] = str(config.seed) + + print(f'Using seed {config.seed}') + + self.device = torch.device("cuda" if torch.cuda.is_available() else 'cpu') + + # Initialize configurations + self.submodel = config.submodel + + self.inference_model = config.inference_model + self.sample_num = config.sample_num + self.correct = config.correct + + # Data loader. + self.inf_raw_file = config.inf_raw_file # SMILES containing text file for first dataset. + # Write the full path to file. + self.inf_dataset_file = config.inf_dataset_file # Dataset file name for the first GAN. + # Contains large number of molecules. + self.inf_batch_size = config.inf_batch_size + self.mol_data_dir = config.mol_data_dir # Directory where the dataset files are stored. + self.dataset_name = self.inf_dataset_file.split(".")[0] + self.max_atom = config.max_atom # Model is based on one-shot generation. + # Max atom number for molecules must be specified. + self.features = config.features # Small model uses atom types as node features. (Boolean, False uses atom types only.) + # Additional node features can be added. Please check new_dataloarder.py Line 102. + + self.inf_dataset = DruggenDataset(self.mol_data_dir, + self.inf_dataset_file, + self.inf_raw_file, + self.max_atom, + self.features) # Dataset for the first GAN. Custom dataset class from PyG parent class. + # Can create any molecular graph dataset given smiles string. + # Nonisomeric SMILES are suggested but not necessary. + # Uses sparse matrix representation for graphs, + # For computational and speed efficiency. + + self.inf_loader = DataLoader(self.inf_dataset, + shuffle=True, + batch_size=self.inf_batch_size, + drop_last=True) # PyG dataloader for the first GAN. + + + # Atom and bond type dimensions for the construction of the model. + self.atom_decoders = self.decoder_load("atom") # Atom type decoders for first GAN. + # eg. 0:0, 1:6 (C), 2:7 (N), 3:8 (O), 4:9 (F) + self.bond_decoders = self.decoder_load("bond") # Bond type decoders for first GAN. + # eg. 0: (no-bond), 1: (single), 2: (double), 3: (triple), 4: (aromatic) + self.m_dim = len(self.atom_decoders) if not self.features else int(self.inf_loader.dataset[0].x.shape[1]) # Atom type dimension. + self.b_dim = len(self.bond_decoders) # Bond type dimension. + self.vertexes = int(self.inf_loader.dataset[0].x.shape[0]) # Number of nodes in the graph. + + # Transformer and Convolution configurations. + self.act = config.act + self.dim = config.dim + self.depth = config.depth + self.heads = config.heads + self.mlp_ratio = config.mlp_ratio + self.dropout = config.dropout + + self.build_model() + + + def build_model(self): + """Create generators and discriminators.""" + self.G = Generator(self.act, + self.vertexes, + self.b_dim, + self.m_dim, + self.dropout, + dim=self.dim, + depth=self.depth, + heads=self.heads, + mlp_ratio=self.mlp_ratio) + + self.print_network(self.G, 'G') + + self.G.to(self.device) + + + def decoder_load(self, dictionary_name): + ''' Loading the atom and bond decoders''' + with open("DrugGEN/data/decoders/" + dictionary_name + "_" + self.dataset_name + '.pkl', 'rb') as f: + return pickle.load(f) + + + def print_network(self, model, name): + """Print out the network information.""" + num_params = 0 + for p in model.parameters(): + num_params += p.numel() + print(model) + print(name) + print("The number of parameters: {}".format(num_params)) + + + def restore_model(self, submodel, model_directory): + """Restore the trained generator and discriminator.""" + print('Loading the model...') + G_path = os.path.join(model_directory, '{}-G.ckpt'.format(submodel)) + self.G.load_state_dict(torch.load(G_path, map_location=lambda storage, loc: storage)) + + + def inference(self): + # Load the trained generator. + self.restore_model(self.submodel, self.inference_model) + + # smiles data for metrics calculation. + chembl_smiles = [line for line in open("DrugGEN/data/chembl_train.smi", 'r').read().splitlines()] + chembl_test = [line for line in open("DrugGEN/data/chembl_test.smi", 'r').read().splitlines()] + drug_smiles = [line for line in open("DrugGEN/data/akt_inhibitors.smi", 'r').read().splitlines()] + drug_mols = [Chem.MolFromSmiles(smi) for smi in drug_smiles] + drug_vecs = [AllChem.GetMorganFingerprintAsBitVect(x, 2, nBits=1024) for x in drug_mols if x is not None] + + + # Make directories if not exist. + if not os.path.exists("DrugGEN/experiments/inference/{}".format(self.submodel)): + os.makedirs("DrugGEN/experiments/inference/{}".format(self.submodel)) + if self.correct: + correct = smi_correct(self.submodel, "DrugGEN_/experiments/inference/{}".format(self.submodel)) + search_res = pd.DataFrame(columns=["submodel", "validity", + "uniqueness", "novelty", + "novelty_test", "AKT_novelty", + "max_len", "mean_atom_type", + "snn_chembl", "snn_akt", "IntDiv", "qed"]) + + + self.G.eval() + + start_time = time.time() + metric_calc_dr = [] + uniqueness_calc = [] + real_smiles_snn = [] + nodes_sample = torch.Tensor(size=[1,45,1]).to(self.device) + f = open("DrugGEN/experiments/inference/{}/inference_drugs.txt".format(self.submodel), "w") + f.write("SMILES") + f.write("\n") + val_counter = 0 + none_counter = 0 + # Inference mode + with torch.inference_mode(): + pbar = tqdm(range(self.sample_num)) + pbar.set_description('Inference mode for {} model started'.format(self.submodel)) + for i, data in enumerate(self.inf_loader): + + val_counter += 1 + # Preprocess dataset + _, a_tensor, x_tensor = load_molecules( + data=data, + batch_size=self.inf_batch_size, + device=self.device, + b_dim=self.b_dim, + m_dim=self.m_dim, + ) + + _, _, node_sample, edge_sample = self.G(a_tensor, x_tensor) + + g_edges_hat_sample = torch.max(edge_sample, -1)[1] + g_nodes_hat_sample = torch.max(node_sample, -1)[1] + + fake_mol_g = [self.inf_dataset.matrices2mol_drugs(n_.data.cpu().numpy(), e_.data.cpu().numpy(), strict=False, file_name=self.dataset_name) + for e_, n_ in zip(g_edges_hat_sample, g_nodes_hat_sample)] + + a_tensor_sample = torch.max(a_tensor, -1)[1] + x_tensor_sample = torch.max(x_tensor, -1)[1] + real_mols = [self.inf_dataset.matrices2mol_drugs(n_.data.cpu().numpy(), e_.data.cpu().numpy(), strict=True, file_name=self.dataset_name) + for e_, n_ in zip(a_tensor_sample, x_tensor_sample)] + + inference_drugs = [None if line is None else Chem.MolToSmiles(line) for line in fake_mol_g] + inference_drugs = [None if x is None else max(x.split('.'), key=len) for x in inference_drugs] + + for molecules in inference_drugs: + if molecules is None: + none_counter += 1 + + for molecules in inference_drugs: + if molecules is not None: + molecules = molecules.replace("*", "C") + f.write(molecules) + f.write("\n") + uniqueness_calc.append(molecules) + nodes_sample = torch.cat((nodes_sample, g_nodes_hat_sample.view(1,45,1)), 0) + pbar.update(1) + metric_calc_dr.append(molecules) + + real_smiles_snn.append(real_mols[0]) + generation_number = len([x for x in metric_calc_dr if x is not None]) + if generation_number == self.sample_num or none_counter == self.sample_num: + break + + + f.close() + print("Inference completed, starting metrics calculation.") + if self.correct: + corrected = correct.correct("DrugGEN/experiments/inference/{}/inference_drugs.txt".format(self.submodel)) + gen_smi = corrected["SMILES"].tolist() + + else: + gen_smi = pd.read_csv("DrugGEN/experiments/inference/{}/inference_drugs.txt".format(self.submodel))["SMILES"].tolist() + + + et = time.time() - start_time + + gen_vecs = [AllChem.GetMorganFingerprintAsBitVect(Chem.MolFromSmiles(x), 2, nBits=1024) for x in uniqueness_calc if Chem.MolFromSmiles(x) is not None] + real_vecs = [AllChem.GetMorganFingerprintAsBitVect(x, 2, nBits=1024) for x in real_smiles_snn if x is not None] + print("Inference mode is lasted for {:.2f} seconds".format(et)) + + print("Metrics calculation started using MOSES.") + + if self.correct: + val = round(len(gen_smi)/self.sample_num,3) + print("Validity: ", val, "\n") + else: + val = round(fraction_valid(gen_smi),3) + print("Validity: ", val, "\n") + + uniq = round(fraction_unique(gen_smi),3) + nov = round(novelty(gen_smi, chembl_smiles),3) + nov_test = round(novelty(gen_smi, chembl_test),3) + akt_nov = round(novelty(gen_smi, drug_smiles),3) + max_len = round(Metrics.max_component(gen_smi, self.vertexes),3) + mean_atom = round(Metrics.mean_atom_type(nodes_sample),3) + snn_chembl = round(average_agg_tanimoto(np.array(real_vecs), np.array(gen_vecs)),3) + snn_akt = round(average_agg_tanimoto(np.array(drug_vecs), np.array(gen_vecs)),3) + int_div = round(internal_diversity(np.array(gen_vecs)),3) + qed = round(np.mean([QED.qed(Chem.MolFromSmiles(x)) for x in gen_smi if Chem.MolFromSmiles(x) is not None]),3) + + + print("Uniqueness: ", uniq, "\n") + print("Novelty: ", nov, "\n") + print("Novelty_test: ", nov_test, "\n") + print("AKT_novelty: ", akt_nov, "\n") + print("max_len: ", max_len, "\n") + print("mean_atom_type: ", mean_atom, "\n") + print("snn_chembl: ", snn_chembl, "\n") + print("snn_akt: ", snn_akt, "\n") + print("IntDiv: ", int_div, "\n") + print("QED: ", qed, "\n") + + print("Metrics are calculated.") + model_res = pd.DataFrame({"submodel": [self.submodel], "validity": [val], + "uniqueness": [uniq], "novelty": [nov], + "novelty_test": [nov_test], "AKT_novelty": [akt_nov], + "max_len": [max_len], "mean_atom_type": [mean_atom], + "snn_chembl": [snn_chembl], "snn_akt": [snn_akt], "IntDiv": [int_div], "qed": [qed]}) + search_res = pd.concat([search_res, model_res], axis=0) + os.remove("DrugGEN/experiments/inference/{}/inference_drugs.txt".format(self.submodel)) + search_res.to_csv("DrugGEN/experiments/inference/{}/inference_results.csv".format(self.submodel), index=False) + generatedsmiles = pd.DataFrame({"SMILES": gen_smi}) + generatedsmiles.to_csv("DrugGEN/experiments/inference/{}/inference_drugs.csv".format(self.submodel), index=False) + + +if __name__=="__main__": + parser = argparse.ArgumentParser() + + # Inference configuration. + parser.add_argument('--submodel', type=str, default="DrugGEN", help="Chose model subtype: DrugGEN, NoTarget", choices=['DrugGEN', 'NoTarget']) + parser.add_argument('--inference_model', type=str, help="Path to the model for inference") + parser.add_argument('--sample_num', type=int, default=100, help='inference samples') + parser.add_argument('--correct', type=str2bool, default=False, help='Correct smiles') + + # Data configuration. + parser.add_argument('--inf_dataset_file', type=str, default='chembl45_test.pt') + parser.add_argument('--inf_raw_file', type=str, default='DrugGEN/data/chembl_test.smi') + parser.add_argument('--inf_batch_size', type=int, default=1, help='Batch size for inference') + parser.add_argument('--mol_data_dir', type=str, default='DrugGEN/data') + parser.add_argument('--features', type=str2bool, default=False, help='features dimension for nodes') + + # Model configuration. + parser.add_argument('--act', type=str, default="relu", help="Activation function for the model.", choices=['relu', 'tanh', 'leaky', 'sigmoid']) + parser.add_argument('--max_atom', type=int, default=45, help='Max atom number for molecules must be specified.') + parser.add_argument('--dim', type=int, default=128, help='Dimension of the Transformer Encoder model for the GAN.') + parser.add_argument('--depth', type=int, default=1, help='Depth of the Transformer model from the GAN.') + parser.add_argument('--heads', type=int, default=8, help='Number of heads for the MultiHeadAttention module from the GAN.') + parser.add_argument('--mlp_ratio', type=int, default=3, help='MLP ratio for the Transformer.') + parser.add_argument('--dropout', type=float, default=0., help='dropout rate') + + # Seed configuration. + parser.add_argument('--set_seed', type=bool, default=False, help='set seed for reproducibility') + parser.add_argument('--seed', type=int, default=1, help='seed for reproducibility') + + config = parser.parse_args() + inference = Inference(config) + inference.inference() diff --git a/layers.py b/layers.py index cc8a747..aabb9c9 100644 --- a/layers.py +++ b/layers.py @@ -66,6 +66,7 @@ def forward(self, node, edge): node = self.out_n(v_embed) return node, edge + class Encoder_Block(nn.Module): def __init__(self, dim, heads, act, mlp_ratio=4, drop_rate=0.): super().__init__() @@ -81,7 +82,7 @@ def __init__(self, dim, heads, act, mlp_ratio=4, drop_rate=0.): def forward(self, x, y): x1 = self.ln1(x) - x2,y1 = self.attn(x1,y) + x2, y1 = self.attn(x1, y) x2 = x1 + x2 y2 = y1 + y x2 = self.ln3(x2) @@ -101,140 +102,5 @@ def __init__(self, dim, depth, heads, act, mlp_ratio=4, drop_rate=0.1): def forward(self, x, y): for Encoder_Block in self.Encoder_Blocks: - x, y = Encoder_Block(x,y) + x, y = Encoder_Block(x, y) return x, y - - -class Protein_self_attention(nn.Module): - def __init__(self, dim, heads): - super().__init__() - self.dim = dim - self.heads = heads - self.scale = 1./dim**0.5 - - self.q_px = nn.Linear(dim, dim) - self.k_px = nn.Linear(dim, dim) - self.v_px = nn.Linear(dim, dim) - self.out = nn.Linear(dim, dim) - - def forward(self, protein_embedding): - n, c = protein_embedding.shape - - query_protein_embedding = self.q_px(protein_embedding).view(-1, n, self.heads, c//self.heads) - key_protein_embedding = self.k_px(protein_embedding).view(-1, n, self.heads, c//self.heads) - value_protein_embedding = self.v_px(protein_embedding).view(-1, n, self.heads, c//self.heads) - - query_protein_embedding = query_protein_embedding.unsqueeze(2) - key_protein_embedding = key_protein_embedding.unsqueeze(1) - - attn = query_protein_embedding * key_protein_embedding - attn = attn / math.sqrt(self.dim) - attn = F.softmax(attn, dim=2) - - value_protein_embedding = value_protein_embedding.unsqueeze(1) - value_protein_embedding = attn * value_protein_embedding - value_protein_embedding = value_protein_embedding.sum(dim=2).flatten(2) - - protein_embedding = self.out(value_protein_embedding) - return protein_embedding - - -class enc_dec_attention(nn.Module): - def __init__(self, dim, heads, attention_dropout=0., proj_dropout=0.): - super().__init__() - self.dim = dim - self.heads = heads - self.scale = 1./dim**0.5 - - "query is molecules" - "key is prot" - "values is again molecule" - self.q_mx = nn.Linear(dim,dim) - self.k_px = nn.Linear(dim,dim) - self.v_mx = nn.Linear(dim,dim) - self.v_ma = nn.Linear(dim,dim) - self.out_nd = nn.Linear(dim, dim) - self.out_ed = nn.Linear(dim,dim) - - def forward(self, mol_annot, mol_adj, protein_embedding): - b, m, c = mol_annot.shape #b, n, c - _, n, _ = protein_embedding.shape # _, m, _ - - query_mol_annot = self.q_mx(mol_annot).view(-1, m, self.heads, c//self.heads) - key_prot_embed = self.k_px(protein_embedding).view(-1, n, self.heads, c//self.heads) - value_mol_annot = self.v_mx(mol_annot).view(-1, m, self.heads, c//self.heads) - mol_e = self.v_ma(mol_adj).view(-1, m, m, self.heads, c//self.heads) - - query_mol_annot = query_mol_annot.unsqueeze(2) - key_prot_embed = key_prot_embed.unsqueeze(1) - - attn = query_mol_annot * key_prot_embed - attn = attn / math.sqrt(self.dim) - attn = attn * mol_e - - mol_e_new = attn.flatten(3) - mol_adj = self.out_ed(mol_e_new) - - attn = F.softmax(attn, dim=2) - - value_mol_annot = value_mol_annot.unsqueeze(1) - value_mol_annot = attn * value_mol_annot - value_mol_annot = value_mol_annot.sum(dim=2).flatten(2) - mol_annot = self.out_nd(value_mol_annot) - return mol_annot, mol_adj - - -class Decoder_Block(nn.Module): - def __init__(self, dim, heads, mlp_ratio=4, drop_rate=0.): - super().__init__() - - self.ln1_ma = nn.LayerNorm(dim) - self.ln1_mx = nn.LayerNorm(dim) - self.ln1_px = nn.LayerNorm(dim).float() - self.attn_prot = Protein_self_attention(dim, heads) - self.ln2_px = nn.LayerNorm(dim) - self.dec_attn = enc_dec_attention(dim, heads, drop_rate, drop_rate) - self.ln3_ma = nn.LayerNorm(dim) - self.ln3_mx = nn.LayerNorm(dim) - self.mlp_ma = MLP(dim, dim, dropout=drop_rate) - self.mlp_mx = MLP(dim, dim, dropout=drop_rate) - self.ln4_ma = nn.LayerNorm(dim) - self.ln4_mx = nn.LayerNorm(dim) - - def forward(self,mol_annot, mol_adj, protein_embedding): - print(protein_embedding.shape) - mol_annot = self.ln1_mx(mol_annot) - mol_adj = self.ln1_ma(mol_adj) - - protein_embedding = self.ln1_px(protein_embedding.float()) - px1 = self.attn_prot(protein_embedding) - protein_embedding = protein_embedding + px1 - protein_embedding = self.ln2_px(protein_embedding) - - print(protein_embedding.shape) - mx1, ma1 = self.dec_attn(mol_annot, mol_adj, protein_embedding) - ma1 = mol_adj + ma1 - mx1 = mol_annot + mx1 - ma2 = self.ln3_ma(ma1) - mx2 = self.ln3_mx(mx1) - ma3 = self.mlp_ma(ma2) - mx3 = self.mlp_mx(mx2) - ma = ma3 + ma2 - mx = mx3 + mx2 - mol_adj = self.ln4_ma(ma) - mol_annot = self.ln4_mx(mx) - return mol_annot, mol_adj - - -class TransformerDecoder(nn.Module): - def __init__(self, dim, depth, heads, mlp_ratio=4, drop_rate=0.): - super().__init__() - - self.Decoder_Blocks = nn.ModuleList([ - Decoder_Block(dim, heads, mlp_ratio, drop_rate) - for i in range(depth)]) - - def forward(self, mol_annot, mol_adj, protein_embedding): - for Decoder_Block in self.Decoder_Blocks: - mol_annot, mol_adj = Decoder_Block(mol_annot, mol_adj, protein_embedding) - return mol_annot, mol_adj \ No newline at end of file diff --git a/loss.py b/loss.py index 1e4ebf2..5d67713 100644 --- a/loss.py +++ b/loss.py @@ -1,91 +1,60 @@ - import torch -def discriminator_loss(generator, discriminator, mol_graph, batch_size, device, grad_pen, lambda_gp, z_edge, z_node): +def discriminator_loss(generator, discriminator, drug_edge, drug_node, batch_size, device, grad_pen, lambda_gp, z_edge, z_node, submodel): # Compute loss with real molecules. - logits_real_disc = discriminator(mol_graph) + if submodel == "DrugGEN": + logits_real_disc = discriminator(drug_edge, drug_node) + else: + logits_real_disc = discriminator(drug_node) + prediction_real = - torch.mean(logits_real_disc) # Compute loss with fake molecules. - node, edge, node_sample, edge_sample = generator(z_edge, z_node) - graph = torch.cat((node_sample.view(batch_size, -1), edge_sample.view(batch_size, -1)), dim=-1) - logits_fake_disc = discriminator(graph.detach()) - prediction_fake = torch.mean(logits_fake_disc) + node, edge, node_sample, edge_sample = generator(z_edge, z_node) + if submodel == "DrugGEN": + logits_fake_disc = discriminator(edge_sample, node_sample) + else: + graph = torch.cat((node_sample.view(batch_size, -1), edge_sample.view(batch_size, -1)), dim=-1) + logits_fake_disc = discriminator(graph.detach()) - # Compute gradient loss. - eps = torch.rand(mol_graph.size(0),1).to(device) - x_int0 = (eps * mol_graph + (1. - eps) * graph).requires_grad_(True) - grad0 = discriminator(x_int0) - d_loss_gp = grad_pen(grad0, x_int0) - - # Calculate total loss - d_loss = prediction_fake + prediction_real + d_loss_gp * lambda_gp - return node, edge, d_loss + prediction_fake = torch.mean(logits_fake_disc) + # Compute gradient penalty. + eps_edge = torch.rand(batch_size, 1, 1, 1, device=device) # Shape adapted for broadcasting with edges and nodes + eps_node = torch.rand(batch_size, 1, 1, device=device) # Shape adapted for broadcasting with edges and nodes + int_node = eps_node * drug_node + (1 - eps_node) * node_sample + int_edge = eps_edge * drug_edge + (1 - eps_edge) * edge_sample + int_node.requires_grad_(True) + int_edge.requires_grad_(True) -def generator_loss(generator, discriminator, adj, annot, batch_size, matrices2mol, dataset_name): - # Compute loss with fake molecules. - node, edge, node_sample, edge_sample = generator(adj, annot) - graph = torch.cat((node_sample.view(batch_size, -1), edge_sample.view(batch_size, -1)), dim=-1) - logits_fake_disc = discriminator(graph) - prediction_fake = - torch.mean(logits_fake_disc) + # Compute discriminator output for interpolated samples + if submodel == "DrugGEN": + logits_interpolated = discriminator(int_edge, int_node) + else: + graph = torch.cat((int_node.view(batch_size, -1), int_edge.view(batch_size, -1)), dim=-1) + logits_interpolated = discriminator(graph) - # Produce molecules. - g_edges_hat_sample = torch.max(edge_sample, -1)[1] - g_nodes_hat_sample = torch.max(node_sample , -1)[1] - fake_mol = [matrices2mol(n_.data.cpu().numpy(), e_.data.cpu().numpy(), strict=True, file_name=dataset_name) - for e_, n_ in zip(g_edges_hat_sample, g_nodes_hat_sample)] - g_loss = prediction_fake + # Compute gradient penalty for nodes and edges + grad_penalty = grad_pen(logits_interpolated, int_node) - return g_loss, fake_mol, g_edges_hat_sample, g_nodes_hat_sample, node, edge + # Calculate total discriminator loss + d_loss = prediction_fake + prediction_real + lambda_gp * grad_penalty -def discriminator2_loss(generator, discriminator, mol_graph, adj, annot, batch_size, device, grad_pen, lambda_gp, protein_embedding): - # Generate molecules. - dr_edges, dr_nodes = generator(adj, - annot, - protein_embedding) + return node, edge, d_loss - print("dr_edges", dr_edges.shape) - dr_edges_hat = dr_edges.view(batch_size, -1) - dr_nodes_hat = dr_nodes.view(batch_size, -1) - dr_graph = torch.cat((dr_nodes_hat, dr_edges_hat), dim=-1) +def generator_loss(generator, discriminator, adj, annot, batch_size, submodel): # Compute loss with fake molecules. - dr_logits_fake = discriminator(dr_graph.detach()) - d2_loss_fake = torch.mean(dr_logits_fake) - - # Compute loss with real molecules. - dr_logits_real2 = discriminator(mol_graph) - d2_loss_real = - torch.mean(dr_logits_real2) - - # Compute gradient loss. - eps_dr = torch.rand(mol_graph.size(0),1).to(device) - x_int0_dr = (eps_dr * mol_graph + (1. - eps_dr) * dr_graph).requires_grad_(True) - grad0_dr = discriminator(x_int0_dr) - d2_loss_gp = grad_pen(grad0_dr, x_int0_dr) - - # Compute total loss. - d2_loss = d2_loss_fake + d2_loss_real + d2_loss_gp * lambda_gp - return d2_loss + node, edge, node_sample, edge_sample = generator(adj, annot) + if submodel == "DrugGEN": + logits_fake_disc = discriminator(edge_sample, node_sample) + else: + graph = torch.cat((node_sample.view(batch_size, -1), edge_sample.view(batch_size, -1)), dim=-1) + logits_fake_disc = discriminator(graph) -def generator2_loss(generator, discriminator, adj, annot, batch_size, matrices2mol, protein_embedding, drugs_name): - # Generate molecules. - dr_edges_g, dr_nodes_g = generator(adj, - annot, - protein_embedding) - dr_edges_hat_g = dr_edges_g.view(batch_size, -1) - dr_nodes_hat_g = dr_nodes_g.view(batch_size, -1) - dr_graph_g = torch.cat((dr_nodes_hat_g, dr_edges_hat_g), dim=-1) - - # Compute loss with fake molecules. - dr_g_edges_hat_sample, dr_g_nodes_hat_sample = torch.max(dr_edges_g, -1)[1], torch.max(dr_nodes_g, -1)[1] - g_tra_logits_fake2 = discriminator(dr_graph_g) - g2_loss_fake = - torch.mean(g_tra_logits_fake2) + prediction_fake = - torch.mean(logits_fake_disc) - # Reward - fake_mol_g = [matrices2mol(n_.data.cpu().numpy(), e_.data.cpu().numpy(), strict=True, file_name=drugs_name) - for e_, n_ in zip(dr_g_edges_hat_sample, dr_g_nodes_hat_sample)] + g_loss = prediction_fake - g2_loss = g2_loss_fake - return g2_loss, fake_mol_g, dr_g_edges_hat_sample, dr_g_nodes_hat_sample + return g_loss, node, edge, node_sample, edge_sample diff --git a/main.py b/main.py deleted file mode 100644 index c7dad4b..0000000 --- a/main.py +++ /dev/null @@ -1,172 +0,0 @@ -import os -import argparse -from trainer import Trainer -from torch.backends import cudnn - -def str2bool(v): - return v.lower() in ('true') - -def main(config): - # For fast training. - cudnn.benchmark = True - - # Create directories if not exist. - if not os.path.exists(config.log_dir): - os.makedirs(config.log_dir) - if not os.path.exists(config.model_save_dir): - os.makedirs(config.model_save_dir) - if not os.path.exists(config.sample_dir): - os.makedirs(config.sample_dir) - if not os.path.exists(config.result_dir): - os.makedirs(config.result_dir) - - # Trainer for training and inference. - trainer = Trainer(config) - - if config.mode == 'train': - trainer.train() - elif config.mode == 'inference': - trainer.inference() - -if __name__ == '__main__': - parser = argparse.ArgumentParser() - - parser.add_argument('--submodel', type=str, default="CrossLoss", help="Chose model subtype: Prot, CrossLoss, Ligand, RL, NoTarget", choices=['Prot', 'CrossLoss', 'Ligand', 'RL', 'NoTarget']) - - # Model configuration. - parser.add_argument('--act', type=str, default="relu", help="Activation function for the model.", choices=['relu', 'tanh', 'leaky', 'sigmoid']) - - parser.add_argument('--z_dim', type=int, default=16, help='Prior noise for the first GAN') - - parser.add_argument('--max_atom', type=int, default=45, help='Max atom number for molecules must be specified.') - - parser.add_argument('--lambda_gp', type=float, default=1, help='Gradient penalty lambda multiplier for the first GAN.') - - parser.add_argument('--dim', type=int, default=128, help='Dimension of the Transformer Encoder model for GAN1.') - - parser.add_argument('--depth', type=int, default=1, help='Depth of the Transformer model from the first GAN.') - - parser.add_argument('--heads', type=int, default=8, help='Number of heads for the MultiHeadAttention module from the first GAN.') - - parser.add_argument('--dec_depth', type=int, default=1, help='Depth of the Transformer model from the second GAN.') - - parser.add_argument('--dec_heads', type=int, default=8, help='Number of heads for the MultiHeadAttention module from the second GAN.') - - parser.add_argument('--dec_dim', type=int, default=128, help='Dimension of the Transformer Decoder model for GAN2.') - - parser.add_argument('--mlp_ratio', type=int, default=3, help='MLP ratio for the Transformers.') - - parser.add_argument('--warm_up_steps', type=float, default=0, help=' Warm up steps for the first GAN.') - - parser.add_argument('--dis_select', type=str, default="mlp", help="Select the discriminator for the first and second GAN.") - - parser.add_argument('--init_type', type=str, default="normal", help="Initialization type for the model.") - - """parser.add_argument('--g_conv_dim',default=[128, 256, 512, 1024], help='number of conv filters in the first layer of G') - parser.add_argument('--d_conv_dim', type=int, default=[[128, 64], 128, [128, 64]], help='number of conv filters in the first layer of D') - parser.add_argument('--la', type=float, default=0.5, help="lambda value for Total Discriminator loss balance") - parser.add_argument('--la2', type=float, default=0.5, help="lambda value for Total Generator loss balance") - parser.add_argument('--gcn_depth', type=int, default=0, help="GCN layer depth")""" - - # Training configuration. - - parser.add_argument('--batch_size', type=int, default=128, help='Batch size for the training.') - - parser.add_argument('--epoch', type=int, default=10, help='Epoch number for Training.') - - parser.add_argument('--g_lr', type=float, default=0.00001, help='learning rate for G') - - parser.add_argument('--d_lr', type=float, default=0.00001, help='learning rate for D') - - parser.add_argument('--g2_lr', type=float, default=0.00001, help='learning rate for G2') - - parser.add_argument('--d2_lr', type=float, default=0.00001, help='learning rate for D2') - - parser.add_argument('--dropout', type=float, default=0., help='dropout rate') - - parser.add_argument('--dec_dropout', type=float, default=0., help='dropout rate for decoder') - - parser.add_argument('--n_critic', type=int, default=1, help='number of D updates per each G update') - - parser.add_argument('--beta1', type=float, default=0.9, help='beta1 for Adam optimizer') - - parser.add_argument('--beta2', type=float, default=0.999, help='beta2 for Adam optimizer') - - parser.add_argument('--resume_iters', type=int, default=None, help='resume training from this step') - - parser.add_argument('--clipping_value', type=int, default=2, help='1,2, or 5 suggested but not strictly') - - parser.add_argument('--features', type=str2bool, default=False, help='features dimension for nodes') - - - # Test configuration. - parser.add_argument('--test_iters', type=int, default=10000, help='test model from this step') - - parser.add_argument('--num_test_epoch', type=int, default=30000, help='inference epoch') - - parser.add_argument('--inference_sample_num', type=int, default=10000, help='inference samples') - - # Miscellaneous. - parser.add_argument('--num_workers', type=int, default=1) - - parser.add_argument('--mode', type=str, default='train', choices=['train', 'inference']) - - parser.add_argument('--inference_iterations', type=int, default=100, help='Number of iterations for inference') - - parser.add_argument('--inf_batch_size', type=int, default=1, help='Batch size for inference') - - # Directories. - parser.add_argument('--protein_data_dir', type=str, default='DrugGEN/data/akt') - - parser.add_argument('--drug_index', type=str, default='DrugGEN/data/drug_smiles.index') - - parser.add_argument('--drug_data_dir', type=str, default='DrugGEN/data') - - parser.add_argument('--mol_data_dir', type=str, default='DrugGEN/data') - - parser.add_argument('--log_dir', type=str, default='DrugGEN/experiments/logs') - - parser.add_argument('--model_save_dir', type=str, default='DrugGEN/experiments/models') - - parser.add_argument('--inference_model', type=str, default='') - - parser.add_argument('--sample_dir', type=str, default='DrugGEN/experiments/samples') - - parser.add_argument('--result_dir', type=str, default='DrugGEN/experiments/tboard_output') - - parser.add_argument('--dataset_file', type=str, default='chembl45_train.pt') - - parser.add_argument('--drug_dataset_file', type=str, default='akt_train.pt') - - parser.add_argument('--raw_file', type=str, default='DrugGEN/data/chembl_train.smi') - - parser.add_argument('--drug_raw_file', type=str, default='DrugGEN/data/akt_train.smi') - - parser.add_argument('--inf_dataset_file', type=str, default='chembl45_test.pt') - - parser.add_argument('--inf_drug_dataset_file', type=str, default='akt_test.pt') - - parser.add_argument('--inf_raw_file', type=str, default='DrugGEN/data/chembl_test.smi') - - parser.add_argument('--inf_drug_raw_file', type=str, default='DrugGEN/data/akt_test.smi') - - # Step size. - parser.add_argument('--log_sample_step', type=int, default=1000, help='step size for sampling during training') - - # Define the seed. - parser.add_argument('--set_seed', type=bool, default=False, help='set seed for reproducibility') - - parser.add_argument('--seed', type=int, default=1, help='seed for reproducibility') - - # Resume training. - parser.add_argument('--resume', type=bool, default=False, help='resume training') - - parser.add_argument('--resume_epoch', type=int, default=None, help='resume training from this epoch') - - parser.add_argument('--resume_iter', type=int, default=None, help='resume training from this step') - - parser.add_argument('--resume_directory', type=str, default=None, help='load pretrained weights from this directory') - - config = parser.parse_args() - print(config) - main(config) diff --git a/models.py b/models.py index 61a1984..29a82b6 100644 --- a/models.py +++ b/models.py @@ -1,14 +1,12 @@ import torch import torch.nn as nn -import torch.nn.functional as F -from layers import TransformerEncoder, TransformerDecoder +from layers import TransformerEncoder class Generator(nn.Module): """Generator network.""" - def __init__(self, z_dim, act, vertexes, edges, nodes, dropout, dim, depth, heads, mlp_ratio, submodel): + def __init__(self, act, vertexes, edges, nodes, dropout, dim, depth, heads, mlp_ratio): super(Generator, self).__init__() - self.submodel = submodel self.vertexes = vertexes self.edges = edges self.nodes = nodes @@ -17,7 +15,6 @@ def __init__(self, z_dim, act, vertexes, edges, nodes, dropout, dim, depth, head self.heads = heads self.mlp_ratio = mlp_ratio self.dropout = dropout - self.z_dim = z_dim if act == "relu": act = nn.ReLU() @@ -32,8 +29,8 @@ def __init__(self, z_dim, act, vertexes, edges, nodes, dropout, dim, depth, head self.transformer_dim = vertexes * vertexes * dim + vertexes * dim self.pos_enc_dim = 5 - self.node_layers = nn.Sequential(nn.Linear(nodes, 64), act, nn.Linear(64,dim), act, nn.Dropout(self.dropout)) - self.edge_layers = nn.Sequential(nn.Linear(edges, 64), act, nn.Linear(64,dim), act, nn.Dropout(self.dropout)) + self.node_layers = nn.Sequential(nn.Linear(nodes, 64), act, nn.Linear(64, dim), act, nn.Dropout(self.dropout)) + self.edge_layers = nn.Sequential(nn.Linear(edges, 64), act, nn.Linear(64, dim), act, nn.Dropout(self.dropout)) self.TransformerEncoder = TransformerEncoder(dim=self.dim, depth=self.depth, heads=self.heads, act = act, mlp_ratio=self.mlp_ratio, drop_rate=self.dropout) @@ -65,64 +62,61 @@ def forward(self, z_e, z_n): edge = self.edge_layers(z_e) edge = (edge + edge.permute(0, 2, 1, 3)) / 2 - node, edge = self.TransformerEncoder(node,edge) - - node_sample = self.softmax(self.readout_n(node)) - edge_sample = self.softmax(self.readout_e(edge)) - return node, edge, node_sample, edge_sample + node, edge = self.TransformerEncoder(node, edge) + node_sample = self.readout_n(node) + edge_sample = self.readout_e(edge) -class Generator2(nn.Module): - """Generator 2 network.""" + return node, edge, node_sample, edge_sample - def __init__(self, dim, dec_dim, depth, heads, mlp_ratio, drop_rate, drugs_m_dim, drugs_b_dim, submodel): - super().__init__() - self.submodel = submodel +class Discriminator(nn.Module): + + def __init__(self, act, vertexes, edges, nodes, dropout, dim, depth, heads, mlp_ratio): + super(Discriminator, self).__init__() + self.vertexes = vertexes + self.edges = edges + self.nodes = nodes self.depth = depth self.dim = dim - self.mlp_ratio = mlp_ratio self.heads = heads - self.dropout_rate = drop_rate - self.drugs_m_dim = drugs_m_dim - self.drugs_b_dim = drugs_b_dim - self.pos_enc_dim = 5 + self.mlp_ratio = mlp_ratio + self.dropout = dropout - self.mol_nodes = nn.Linear(dim, dec_dim) - self.mol_edges = nn.Linear(dim, dec_dim) + if act == "relu": + act = nn.ReLU() + elif act == "leaky": + act = nn.LeakyReLU() + elif act == "sigmoid": + act = nn.Sigmoid() + elif act == "tanh": + act = nn.Tanh() - self.TransformerDecoder = TransformerDecoder(dec_dim, depth, heads, mlp_ratio, drop_rate=self.dropout_rate) + self.features = vertexes * vertexes * edges + vertexes * nodes + self.transformer_dim = vertexes * vertexes * dim + vertexes * dim - self.nodes_output_layer = nn.Linear(dec_dim, self.drugs_m_dim) - self.edges_output_layer = nn.Linear(dec_dim, self.drugs_b_dim) - self.softmax = nn.Softmax(dim=-1) + self.node_layers = nn.Sequential(nn.Linear(nodes, 64), act, nn.Linear(64, dim), act, nn.Dropout(self.dropout)) + self.edge_layers = nn.Sequential(nn.Linear(edges, 64), act, nn.Linear(64, dim), act, nn.Dropout(self.dropout)) + self.TransformerEncoder = TransformerEncoder(dim=self.dim, depth=self.depth, heads=self.heads, act = act, + mlp_ratio=self.mlp_ratio, drop_rate=self.dropout) + self.node_features = vertexes * dim + self.edge_features = vertexes * vertexes * dim + self.node_mlp = nn.Sequential(nn.Linear(self.node_features, 64), act, nn.Linear(64, 32), act, nn.Linear(32, 16), act, nn.Linear(16, 1)) - def laplacian_positional_enc(self, adj): - A = adj - D = torch.diag(torch.count_nonzero(A, dim=-1)) - L = torch.eye(A.shape[0], device=A.device) - D * A * D + def forward(self, z_e, z_n): + b, n, c = z_n.shape + _, _, _ , d = z_e.shape - EigVal, EigVec = torch.linalg.eig(L) - idx = torch.argsort(torch.real(EigVal)) - EigVal, EigVec = EigVal[idx], torch.real(EigVec[:,idx]) - pos_enc = EigVec[:,1:self.pos_enc_dim + 1] - return pos_enc + node = self.node_layers(z_n) + edge = self.edge_layers(z_e) + edge = (edge + edge.permute(0, 2, 1, 3)) / 2 - def _generate_square_subsequent_mask(self, sz): - mask = (torch.triu(torch.ones(sz, sz)) == 1).transpose(0, 1) - mask = mask.float().masked_fill(mask == 0, float('-inf')).masked_fill(mask == 1, float(0.0)) - return mask + node, edge = self.TransformerEncoder(node, edge) - def forward(self, edges_logits, nodes_logits, protein_embedding): - edges_logits = self.mol_edges(edges_logits) - nodes_logits = self.mol_nodes(nodes_logits) - nodes_logits, edges_logits, = self.TransformerDecoder(nodes_logits, edges_logits, protein_embedding) + node = node.view(b, -1) - edges_logits = self.edges_output_layer(edges_logits) - nodes_logits = self.nodes_output_layer(nodes_logits) - edges_logits = self.softmax(edges_logits) - nodes_logits = self.softmax(nodes_logits) - return edges_logits, nodes_logits + prediction = self.node_mlp(node) + return prediction class simple_disc(nn.Module): def __init__(self, act, m_dim, vertexes, b_dim): @@ -136,6 +130,8 @@ def __init__(self, act, m_dim, vertexes, b_dim): act = nn.Sigmoid() elif act == "tanh": act = nn.Tanh() + else: + raise ValueError("Unsupported activation function: {}".format(act)) features = vertexes * m_dim + vertexes * vertexes * b_dim self.predictor = nn.Sequential(nn.Linear(features,256), act, nn.Linear(256,128), act, nn.Linear(128,64), act, @@ -144,4 +140,4 @@ def __init__(self, act, m_dim, vertexes, b_dim): def forward(self, x): prediction = self.predictor(x) - return prediction + return prediction \ No newline at end of file diff --git a/new_dataloader.py b/new_dataloader.py index ef396c5..ec80dbb 100644 --- a/new_dataloader.py +++ b/new_dataloader.py @@ -5,8 +5,10 @@ from torch_geometric.data import (Data, InMemoryDataset) import os.path as osp from tqdm import tqdm -import re -from rdkit import RDLogger +import re +from rdkit import RDLogger +import pandas as pd + RDLogger.DisableLog('rdApp.*') class DruggenDataset(InMemoryDataset): @@ -38,18 +40,47 @@ def processed_file_names(self): def _generate_encoders_decoders(self, data): self.data = data - print('Creating atoms encoder and decoder..') - atom_labels = sorted(set([atom.GetAtomicNum() for mol in self.data for atom in mol.GetAtoms()] + [0])) + print('Creating atoms and bonds encoder and decoder..') + + atom_labels = set() + bond_labels = set() + max_length = 0 + smiles_list = [] + for smiles in tqdm(data): + mol = Chem.MolFromSmiles(smiles) + molecule_size = mol.GetNumAtoms() + if molecule_size > self.max_atom: + continue + smiles_list.append(smiles) + atom_labels.update([atom.GetAtomicNum() for atom in mol.GetAtoms()]) + max_length = max(max_length, molecule_size) + bond_labels.update([bond.GetBondType() for bond in mol.GetBonds()]) + + atom_labels.update([0]) # add PAD symbol (for unknown atoms) + atom_labels = sorted(atom_labels) # turn set into list and sort it + + bond_labels = sorted(bond_labels) + bond_labels = [Chem.rdchem.BondType.ZERO] + bond_labels + + # atom_labels = sorted(set([atom.GetAtomicNum() for mol in self.data for atom in mol.GetAtoms()] + [0])) self.atom_encoder_m = {l: i for i, l in enumerate(atom_labels)} self.atom_decoder_m = {i: l for i, l in enumerate(atom_labels)} self.atom_num_types = len(atom_labels) print('Created atoms encoder and decoder with {} atom types and 1 PAD symbol!'.format( self.atom_num_types - 1)) print("atom_labels", atom_labels) - print('Creating bonds encoder and decoder..') - bond_labels = [Chem.rdchem.BondType.ZERO] + list(sorted(set(bond.GetBondType() - for mol in self.data - for bond in mol.GetBonds()))) + # print('Creating bonds encoder and decoder..') + # bond_labels = [Chem.rdchem.BondType.ZERO] + list(sorted(set(bond.GetBondType() + # for mol in self.data + # for bond in mol.GetBonds()))) + # bond_labels = [ + # Chem.rdchem.BondType.ZERO, + # Chem.rdchem.BondType.SINGLE, + # Chem.rdchem.BondType.DOUBLE, + # Chem.rdchem.BondType.TRIPLE, + # Chem.rdchem.BondType.AROMATIC, + # ] + print("bond labels", bond_labels) self.bond_encoder_m = {l: i for i, l in enumerate(bond_labels)} self.bond_decoder_m = {i: l for i, l in enumerate(bond_labels)} @@ -72,7 +103,7 @@ def _generate_encoders_decoders(self, data): with open("DrugGEN/data/decoders/" +"bond_" + self.dataset_name + ".pkl","wb") as bond_decoders: pickle.dump(self.bond_decoder_m,bond_decoders) - + return max_length, smiles_list # data is filtered now def _genA(self, mol, connected=True, max_length=None): @@ -235,25 +266,14 @@ def label2onehot(self, labels, dim): return out.float() def process(self, size= None): - - mols = [Chem.MolFromSmiles(line) for line in open(self.raw_files, 'r').readlines()] - - mols = list(filter(lambda x: x.GetNumAtoms() <= self.max_atom, mols)) - mols = mols[:size] - indices = range(len(mols)) - - self._generate_encoders_decoders(mols) - - - - pbar = tqdm(total=len(indices)) - pbar.set_description(f'Processing chembl dataset') - max_length = max(mol.GetNumAtoms() for mol in mols) + smiles_list = pd.read_csv(self.raw_files, header=None)[0].tolist() + max_length, smiles_list = self._generate_encoders_decoders(smiles_list) + data_list = [] self.m_dim = len(self.atom_decoder_m) - for idx in indices: - mol = mols[idx] + for smiles in tqdm(smiles_list, desc='Processing chembl dataset', total=len(smiles_list)): + mol = Chem.MolFromSmiles(smiles) A = self._genA(mol, connected=True, max_length=max_length) if A is not None: @@ -270,7 +290,7 @@ def process(self, size= None): edge_index = adjacency.nonzero(as_tuple=False).t().contiguous() edge_attr = adjacency[edge_index[0], edge_index[1]].to(torch.long) - data = Data(x=x, edge_index=edge_index, edge_attr=edge_attr) + data = Data(x=x, edge_index=edge_index, edge_attr=edge_attr, smiles=smiles) if self.pre_filter is not None and not self.pre_filter(data): continue @@ -279,9 +299,7 @@ def process(self, size= None): data = self.pre_transform(data) data_list.append(data) - pbar.update(1) - pbar.close() torch.save(self.collate(data_list), osp.join(self.processed_dir, self.dataset_file)) diff --git a/paper_results/README.md b/paper_results/README.md new file mode 100644 index 0000000..9c644ef --- /dev/null +++ b/paper_results/README.md @@ -0,0 +1,12 @@ +# DrugGEN Paper Results +## Generated Molecules +- SMILES notations of 10,000 de novo generated molecules from DrugGEN model can be downloaded from [here](generated_molecules/DrugGEN_generated_molecules.csv). (In addition to this, the SMILES notations of 10,000 de novo generated molecules from the DrugGEN-NoTarget model [here](generated_molecules/DrugGEN-NoTarget_generated_molecules.csv)). +- We run our deep learning-based drug/compound-target protein interaction prediction system ([DEEPScreen](https://pubs.rsc.org/en/content/articlehtml/2020/sc/c9sc03414e)) on generated molecules from DrugGEN model. DEEPScreen predicted 5,700 of them as active against AKT1, 130 of which received the highest confidence score ([SMILES notations of DEEPScreen predicted actives](generated_molecules/DrugGEN_DEEPScreen_actives.csv)). +- At the same time, we conducted a molecular docking analysis on the de novo molecules generated from DrugGEN and other target-based generation models, including RELATION, TRIOMHPHE-BOA, ResGen, as well as on real AKT1 inhibitors, using the crystal structure of [AKT1](https://www.rcsb.org/structure/4gv1). A total of 1,600 molecules exhibited sufficiently low binding free energies (< -8 kcal/mol) for the DrugGEN model. The corresponding molecules can be found [here](generated_molecules/DrugGEN_generated_molecules_docking_th8.csv). +- Parallel to this, we applied filtering to 10,000 de novo generated molecules from the DrugGEN model using Lipinski, Veber, and PAINS filters. After this operation, 4,127 of them successfully passed the filters, and their SMILES notations can be found [here](generated_molecules/DrugGEN_generated_molecules_physicofilter.csv). +- Finally, de novo molecules to effectively target the AKT1 protein are selected via expert curation from the dataset of molecules with binding free energies lower than -8 kcal/mol and predicted as active by DEEPScreen against the AKT1 protein ([SMILES notations of the expert selected de novo AKT1 inhibitor molecules](generated_molecules/Selected_denovo_AKT1_inhibitors.csv)). +## Docking +[Glide (Schrödinger Suite)](https://www.schrodinger.com/products/glide) was used to perform docking of AKT1 inhibitors, randomly sampled 10K ChEMBL molecules and [DrugGEN generated molecules](generated_molecules), using AKT1 crystal structure [(4GV1)](https://www.rcsb.org/structure/4GV1) as a reference protein. The top 1,000 docking scores for each set are available [here](docking). Also, the docking results of the crystal structure and selected de novo molecule (MOL_01_027820) were visualized using [PyMOL](https://www.schrodinger.com/products/pymol) and saved as [PDB files](docking). +## Molecular Dynamics (MD) +The simulation analyses were conducted for AKT1-Capivasertib complex (crystal structure: [4GV1](https://www.rcsb.org/structure/4gv1)) and AKT1-MOL_02_027820 complex (consisting of the 4GV1 protein and a de novo generated molecule) using the Simulation Interactions Diagram module integrated into Maestro ([Desmond (Schrödinger Suite)](https://www.schrodinger.com/products/desmond)). MD files for the [AKT1-Capivasertib complex](https://drive.google.com/drive/u/0/folders/1jLBZ7mIjbXnAwe_oNkO4uhdz5N8rgmm2) and [AKT1-MOL_02_027820 complex](https://drive.google.com/drive/u/0/folders/1jJcKbgVYNm5lLkhLe5EZ9waWtOCW7X5x) have been shared on Google Drive. + diff --git a/paper_results/docking/AKT1_Crystal.pdb b/paper_results/docking/AKT1_Crystal.pdb new file mode 100644 index 0000000..0dade78 --- /dev/null +++ b/paper_results/docking/AKT1_Crystal.pdb @@ -0,0 +1,10856 @@ +HEADER AKT1_grid_refineonly_Protein +CRYST1 46.852 58.556 150.472 90.00 90.00 90.00 P 21 21 21 0 +ATOM 1 N SER A 143 -26.073 -11.799 -9.115 1.00 52.26 N +ATOM 2 CA SER A 143 -25.036 -10.979 -8.422 1.00 52.21 C +ATOM 3 C SER A 143 -24.512 -9.835 -9.303 1.00 49.35 C +ATOM 4 O SER A 143 -23.363 -9.861 -9.749 1.00 51.66 O +ATOM 5 CB SER A 143 -23.882 -11.887 -7.979 1.00 53.44 C +ATOM 6 OG SER A 143 -24.353 -12.958 -7.173 1.00 58.26 O +ATOM 7 HA SER A 143 -25.487 -10.543 -7.531 1.00 0.00 H +ATOM 8 HB2 SER A 143 -23.378 -12.289 -8.858 1.00 0.00 H +ATOM 9 HB3 SER A 143 -23.155 -11.302 -7.416 1.00 0.00 H +ATOM 10 HG SER A 143 -23.613 -13.510 -6.910 1.00 0.00 H +ATOM 11 H1 SER A 143 -26.387 -12.536 -8.500 1.00 0.00 H +ATOM 12 H2 SER A 143 -26.857 -11.212 -9.363 1.00 0.00 H +ATOM 13 N ARG A 144 -25.345 -8.820 -9.523 1.00 45.58 N +ATOM 14 CA ARG A 144 -25.053 -7.798 -10.529 1.00 42.34 C +ATOM 15 C ARG A 144 -23.997 -6.786 -10.094 1.00 36.39 C +ATOM 16 O ARG A 144 -22.969 -6.675 -10.755 1.00 33.85 O +ATOM 17 CB ARG A 144 -26.319 -7.059 -10.976 1.00 43.43 C +ATOM 18 CG ARG A 144 -26.148 -6.315 -12.297 1.00 49.34 C +ATOM 19 CD ARG A 144 -26.030 -7.264 -13.509 1.00 52.77 C +ATOM 20 NE ARG A 144 -27.175 -7.125 -14.408 1.00 56.42 N +ATOM 21 CZ ARG A 144 -28.379 -7.669 -14.214 1.00 59.03 C +ATOM 22 NH1 ARG A 144 -28.636 -8.420 -13.149 1.00 58.90 N1+ +ATOM 23 NH2 ARG A 144 -29.346 -7.461 -15.104 1.00 62.03 N1+ +ATOM 24 H ARG A 144 -26.200 -8.744 -8.990 1.00 0.00 H +ATOM 25 HA ARG A 144 -24.659 -8.315 -11.404 1.00 0.00 H +ATOM 26 HB2 ARG A 144 -27.141 -7.770 -11.065 1.00 0.00 H +ATOM 27 HB3 ARG A 144 -26.620 -6.355 -10.200 1.00 0.00 H +ATOM 28 HG2 ARG A 144 -26.992 -5.642 -12.445 1.00 0.00 H +ATOM 29 HG3 ARG A 144 -25.262 -5.683 -12.244 1.00 0.00 H +ATOM 30 HD2 ARG A 144 -25.112 -7.044 -14.054 1.00 0.00 H +ATOM 31 HD3 ARG A 144 -25.967 -8.294 -13.158 1.00 0.00 H +ATOM 32 HE ARG A 144 -27.000 -6.565 -15.230 1.00 0.00 H +ATOM 33 HH11 ARG A 144 -27.913 -8.590 -12.465 1.00 0.00 H +ATOM 34 HH12 ARG A 144 -29.554 -8.821 -13.024 1.00 0.00 H +ATOM 35 HH21 ARG A 144 -29.167 -6.894 -15.921 1.00 0.00 H +ATOM 36 HH22 ARG A 144 -30.259 -7.870 -14.963 1.00 0.00 H +ATOM 37 N VAL A 145 -24.247 -6.036 -9.018 1.00 31.03 N +ATOM 38 CA VAL A 145 -23.321 -4.953 -8.642 1.00 28.61 C +ATOM 39 C VAL A 145 -22.052 -5.477 -7.978 1.00 23.55 C +ATOM 40 O VAL A 145 -22.065 -6.467 -7.260 1.00 22.31 O +ATOM 41 CB VAL A 145 -23.973 -3.833 -7.764 1.00 32.14 C +ATOM 42 CG1 VAL A 145 -25.220 -3.259 -8.452 1.00 31.41 C +ATOM 43 CG2 VAL A 145 -24.280 -4.331 -6.365 1.00 34.04 C +ATOM 44 H VAL A 145 -25.071 -6.211 -8.461 1.00 0.00 H +ATOM 45 HA VAL A 145 -23.010 -4.476 -9.571 1.00 0.00 H +ATOM 46 HB VAL A 145 -23.248 -3.024 -7.672 1.00 0.00 H +ATOM 47 HG11 VAL A 145 -25.657 -2.482 -7.824 1.00 0.00 H +ATOM 48 HG12 VAL A 145 -24.940 -2.832 -9.415 1.00 0.00 H +ATOM 49 HG13 VAL A 145 -25.949 -4.054 -8.606 1.00 0.00 H +ATOM 50 HG21 VAL A 145 -24.732 -3.527 -5.784 1.00 0.00 H +ATOM 51 HG22 VAL A 145 -24.972 -5.171 -6.422 1.00 0.00 H +ATOM 52 HG23 VAL A 145 -23.357 -4.653 -5.883 1.00 0.00 H +ATOM 53 N THR A 146 -20.949 -4.801 -8.278 1.00 21.08 N +ATOM 54 CA THR A 146 -19.621 -5.145 -7.795 1.00 20.58 C +ATOM 55 C THR A 146 -18.945 -3.848 -7.326 1.00 15.81 C +ATOM 56 O THR A 146 -19.534 -2.767 -7.457 1.00 15.23 O +ATOM 57 CB THR A 146 -18.794 -5.832 -8.902 1.00 23.58 C +ATOM 58 CG2 THR A 146 -18.162 -4.847 -9.867 1.00 19.16 C +ATOM 59 OG1 THR A 146 -17.754 -6.598 -8.302 1.00 40.04 O +ATOM 60 H THR A 146 -21.001 -3.990 -8.878 1.00 0.00 H +ATOM 61 HA THR A 146 -19.715 -5.824 -6.948 1.00 0.00 H +ATOM 62 HB THR A 146 -19.446 -6.503 -9.462 1.00 0.00 H +ATOM 63 HG1 THR A 146 -17.236 -7.028 -8.987 1.00 0.00 H +ATOM 64 HG21 THR A 146 -17.594 -5.391 -10.622 1.00 0.00 H +ATOM 65 HG22 THR A 146 -18.943 -4.261 -10.352 1.00 0.00 H +ATOM 66 HG23 THR A 146 -17.495 -4.180 -9.321 1.00 0.00 H +ATOM 67 N MET A 147 -17.730 -3.956 -6.793 1.00 15.62 N +ATOM 68 CA MET A 147 -16.978 -2.766 -6.345 1.00 18.25 C +ATOM 69 C MET A 147 -16.684 -1.783 -7.487 1.00 15.81 C +ATOM 70 O MET A 147 -16.583 -0.596 -7.267 1.00 14.35 O +ATOM 71 CB MET A 147 -15.688 -3.176 -5.650 1.00 18.53 C +ATOM 72 CG MET A 147 -15.942 -3.862 -4.319 1.00 21.32 C +ATOM 73 SD MET A 147 -14.543 -3.899 -3.191 1.00 23.59 S +ATOM 74 CE MET A 147 -14.469 -2.212 -2.604 1.00 23.54 C +ATOM 75 H MET A 147 -17.304 -4.866 -6.688 1.00 0.00 H +ATOM 76 HA MET A 147 -17.594 -2.244 -5.613 1.00 0.00 H +ATOM 77 HB2 MET A 147 -15.123 -3.844 -6.300 1.00 0.00 H +ATOM 78 HB3 MET A 147 -15.066 -2.295 -5.491 1.00 0.00 H +ATOM 79 HG2 MET A 147 -16.790 -3.388 -3.825 1.00 0.00 H +ATOM 80 HG3 MET A 147 -16.287 -4.880 -4.499 1.00 0.00 H +ATOM 81 HE1 MET A 147 -13.644 -2.108 -1.899 1.00 0.00 H +ATOM 82 HE2 MET A 147 -14.313 -1.540 -3.448 1.00 0.00 H +ATOM 83 HE3 MET A 147 -15.405 -1.958 -2.107 1.00 0.00 H +ATOM 84 N ASN A 148 -16.556 -2.285 -8.712 1.00 19.88 N +ATOM 85 CA ASN A 148 -16.342 -1.438 -9.890 1.00 20.06 C +ATOM 86 C ASN A 148 -17.496 -0.540 -10.301 1.00 17.65 C +ATOM 87 O ASN A 148 -17.305 0.362 -11.111 1.00 17.48 O +ATOM 88 CB ASN A 148 -15.944 -2.311 -11.080 1.00 23.34 C +ATOM 89 CG ASN A 148 -14.607 -2.985 -10.876 1.00 33.59 C +ATOM 90 ND2 ASN A 148 -14.520 -4.252 -11.261 1.00 39.41 N +ATOM 91 OD1 ASN A 148 -13.658 -2.374 -10.369 1.00 41.55 O +ATOM 92 H ASN A 148 -16.605 -3.283 -8.856 1.00 0.00 H +ATOM 93 HA ASN A 148 -15.494 -0.790 -9.669 1.00 0.00 H +ATOM 94 HB2 ASN A 148 -16.710 -3.068 -11.246 1.00 0.00 H +ATOM 95 HB3 ASN A 148 -15.908 -1.700 -11.982 1.00 0.00 H +ATOM 96 HD21 ASN A 148 -15.322 -4.713 -11.665 1.00 0.00 H +ATOM 97 HD22 ASN A 148 -13.651 -4.755 -11.150 1.00 0.00 H +ATOM 98 N GLU A 149 -18.683 -0.783 -9.749 1.00 16.13 N +ATOM 99 CA GLU A 149 -19.860 0.023 -10.033 1.00 15.28 C +ATOM 100 C GLU A 149 -19.930 1.345 -9.255 1.00 15.08 C +ATOM 101 O GLU A 149 -20.844 2.140 -9.485 1.00 14.53 O +ATOM 102 CB GLU A 149 -21.142 -0.797 -9.811 1.00 15.96 C +ATOM 103 CG GLU A 149 -21.563 -1.608 -11.037 1.00 19.96 C +ATOM 104 CD GLU A 149 -20.553 -2.644 -11.420 1.00 23.72 C +ATOM 105 OE1 GLU A 149 -19.803 -2.407 -12.385 1.00 31.61 O +ATOM 106 OE2 GLU A 149 -20.490 -3.695 -10.753 1.00 25.56 O1- +ATOM 107 H GLU A 149 -18.792 -1.553 -9.105 1.00 0.00 H +ATOM 108 HA GLU A 149 -19.824 0.278 -11.092 1.00 0.00 H +ATOM 109 HB2 GLU A 149 -21.000 -1.469 -8.964 1.00 0.00 H +ATOM 110 HB3 GLU A 149 -21.954 -0.129 -9.523 1.00 0.00 H +ATOM 111 HG2 GLU A 149 -22.520 -2.091 -10.841 1.00 0.00 H +ATOM 112 HG3 GLU A 149 -21.728 -0.934 -11.878 1.00 0.00 H +ATOM 113 N PHE A 150 -18.966 1.574 -8.364 1.00 12.47 N +ATOM 114 CA PHE A 150 -18.964 2.756 -7.516 1.00 11.53 C +ATOM 115 C PHE A 150 -17.705 3.609 -7.681 1.00 9.54 C +ATOM 116 O PHE A 150 -16.595 3.078 -7.949 1.00 12.57 O +ATOM 117 CB PHE A 150 -19.126 2.352 -6.038 1.00 11.88 C +ATOM 118 CG PHE A 150 -20.359 1.518 -5.779 1.00 12.02 C +ATOM 119 CD1 PHE A 150 -21.580 2.117 -5.470 1.00 12.39 C +ATOM 120 CD2 PHE A 150 -20.298 0.134 -5.891 1.00 14.70 C +ATOM 121 CE1 PHE A 150 -22.729 1.348 -5.289 1.00 13.97 C +ATOM 122 CE2 PHE A 150 -21.441 -0.648 -5.674 1.00 13.26 C +ATOM 123 CZ PHE A 150 -22.649 -0.045 -5.369 1.00 14.13 C +ATOM 124 H PHE A 150 -18.206 0.916 -8.262 1.00 0.00 H +ATOM 125 HA PHE A 150 -19.822 3.368 -7.792 1.00 0.00 H +ATOM 126 HB2 PHE A 150 -18.242 1.802 -5.714 1.00 0.00 H +ATOM 127 HB3 PHE A 150 -19.159 3.249 -5.419 1.00 0.00 H +ATOM 128 HD1 PHE A 150 -21.644 3.190 -5.368 1.00 0.00 H +ATOM 129 HD2 PHE A 150 -19.365 -0.346 -6.147 1.00 0.00 H +ATOM 130 HE1 PHE A 150 -23.675 1.829 -5.088 1.00 0.00 H +ATOM 131 HE2 PHE A 150 -21.381 -1.724 -5.745 1.00 0.00 H +ATOM 132 HZ PHE A 150 -23.528 -0.647 -5.193 1.00 0.00 H +ATOM 133 N GLU A 151 -17.884 4.907 -7.484 1.00 11.44 N +ATOM 134 CA GLU A 151 -16.776 5.837 -7.292 1.00 12.46 C +ATOM 135 C GLU A 151 -16.622 6.069 -5.792 1.00 13.92 C +ATOM 136 O GLU A 151 -17.598 6.336 -5.089 1.00 13.25 O +ATOM 137 CB GLU A 151 -17.027 7.170 -7.997 1.00 10.85 C +ATOM 138 CG GLU A 151 -15.792 8.118 -7.980 1.00 15.23 C +ATOM 139 CD GLU A 151 -16.087 9.499 -8.538 1.00 19.39 C +ATOM 140 OE1 GLU A 151 -15.236 10.393 -8.391 1.00 22.75 O +ATOM 141 OE2 GLU A 151 -17.167 9.708 -9.119 1.00 15.78 O1- +ATOM 142 H GLU A 151 -18.818 5.290 -7.462 1.00 0.00 H +ATOM 143 HA GLU A 151 -15.861 5.391 -7.682 1.00 0.00 H +ATOM 144 HB2 GLU A 151 -17.326 6.983 -9.029 1.00 0.00 H +ATOM 145 HB3 GLU A 151 -17.875 7.672 -7.531 1.00 0.00 H +ATOM 146 HG2 GLU A 151 -15.422 8.212 -6.959 1.00 0.00 H +ATOM 147 HG3 GLU A 151 -14.980 7.664 -8.548 1.00 0.00 H +ATOM 148 N TYR A 152 -15.385 5.997 -5.312 1.00 11.60 N +ATOM 149 CA TYR A 152 -15.042 6.079 -3.887 1.00 11.46 C +ATOM 150 C TYR A 152 -14.575 7.499 -3.583 1.00 13.49 C +ATOM 151 O TYR A 152 -13.528 7.917 -4.074 1.00 15.49 O +ATOM 152 CB TYR A 152 -13.980 5.009 -3.558 1.00 13.79 C +ATOM 153 CG TYR A 152 -14.561 3.636 -3.824 1.00 11.19 C +ATOM 154 CD1 TYR A 152 -14.569 3.097 -5.119 1.00 15.32 C +ATOM 155 CD2 TYR A 152 -15.181 2.928 -2.812 1.00 11.65 C +ATOM 156 CE1 TYR A 152 -15.179 1.867 -5.385 1.00 12.97 C +ATOM 157 CE2 TYR A 152 -15.792 1.696 -3.062 1.00 11.91 C +ATOM 158 CZ TYR A 152 -15.775 1.167 -4.344 1.00 11.78 C +ATOM 159 OH TYR A 152 -16.405 -0.042 -4.573 1.00 13.91 O +ATOM 160 H TYR A 152 -14.605 5.878 -5.942 1.00 0.00 H +ATOM 161 HA TYR A 152 -15.937 5.873 -3.300 1.00 0.00 H +ATOM 162 HB2 TYR A 152 -13.104 5.161 -4.189 1.00 0.00 H +ATOM 163 HB3 TYR A 152 -13.699 5.087 -2.508 1.00 0.00 H +ATOM 164 HD1 TYR A 152 -14.099 3.633 -5.930 1.00 0.00 H +ATOM 165 HD2 TYR A 152 -15.199 3.325 -1.808 1.00 0.00 H +ATOM 166 HE1 TYR A 152 -15.183 1.472 -6.390 1.00 0.00 H +ATOM 167 HE2 TYR A 152 -16.275 1.160 -2.258 1.00 0.00 H +ATOM 168 HH TYR A 152 -16.757 -0.381 -3.747 1.00 0.00 H +ATOM 169 N LEU A 153 -15.358 8.243 -2.799 1.00 11.93 N +ATOM 170 CA LEU A 153 -15.249 9.696 -2.684 1.00 11.56 C +ATOM 171 C LEU A 153 -14.510 10.202 -1.449 1.00 15.46 C +ATOM 172 O LEU A 153 -13.615 11.041 -1.579 1.00 18.84 O +ATOM 173 CB LEU A 153 -16.645 10.342 -2.791 1.00 12.15 C +ATOM 174 CG LEU A 153 -17.430 10.070 -4.079 1.00 16.78 C +ATOM 175 CD1 LEU A 153 -18.795 10.714 -3.964 1.00 22.68 C +ATOM 176 CD2 LEU A 153 -16.708 10.573 -5.304 1.00 23.66 C +ATOM 177 H LEU A 153 -16.077 7.805 -2.241 1.00 0.00 H +ATOM 178 HA LEU A 153 -14.680 10.036 -3.549 1.00 0.00 H +ATOM 179 HB2 LEU A 153 -17.247 10.041 -1.934 1.00 0.00 H +ATOM 180 HB3 LEU A 153 -16.554 11.419 -2.647 1.00 0.00 H +ATOM 181 HG LEU A 153 -17.565 8.993 -4.178 1.00 0.00 H +ATOM 182 HD11 LEU A 153 -19.363 10.527 -4.875 1.00 0.00 H +ATOM 183 HD12 LEU A 153 -19.326 10.291 -3.112 1.00 0.00 H +ATOM 184 HD13 LEU A 153 -18.680 11.789 -3.822 1.00 0.00 H +ATOM 185 HD21 LEU A 153 -17.303 10.357 -6.191 1.00 0.00 H +ATOM 186 HD22 LEU A 153 -16.557 11.649 -5.221 1.00 0.00 H +ATOM 187 HD23 LEU A 153 -15.741 10.076 -5.386 1.00 0.00 H +ATOM 188 N LYS A 154 -14.882 9.710 -0.270 1.00 12.78 N +ATOM 189 CA LYS A 154 -14.408 10.258 1.012 1.00 12.82 C +ATOM 190 C LYS A 154 -14.521 9.236 2.136 1.00 13.33 C +ATOM 191 O LYS A 154 -15.507 8.495 2.211 1.00 13.36 O +ATOM 192 CB LYS A 154 -15.238 11.486 1.406 1.00 14.56 C +ATOM 193 CG LYS A 154 -14.680 12.809 0.964 1.00 27.89 C +ATOM 194 CD LYS A 154 -15.779 13.846 0.908 1.00 33.58 C +ATOM 195 CE LYS A 154 -15.267 15.264 1.143 1.00 39.96 C +ATOM 196 NZ LYS A 154 -16.344 16.276 0.930 1.00 40.40 N1+ +ATOM 197 H LYS A 154 -15.517 8.926 -0.228 1.00 0.00 H +ATOM 198 HA LYS A 154 -13.364 10.555 0.906 1.00 0.00 H +ATOM 199 HB2 LYS A 154 -16.251 11.375 1.019 1.00 0.00 H +ATOM 200 HB3 LYS A 154 -15.375 11.496 2.487 1.00 0.00 H +ATOM 201 HG2 LYS A 154 -13.912 13.132 1.666 1.00 0.00 H +ATOM 202 HG3 LYS A 154 -14.231 12.702 -0.024 1.00 0.00 H +ATOM 203 HD2 LYS A 154 -16.275 13.796 -0.061 1.00 0.00 H +ATOM 204 HD3 LYS A 154 -16.540 13.608 1.651 1.00 0.00 H +ATOM 205 HE2 LYS A 154 -14.886 15.348 2.161 1.00 0.00 H +ATOM 206 HE3 LYS A 154 -14.439 15.468 0.465 1.00 0.00 H +ATOM 207 HZ1 LYS A 154 -15.974 17.202 1.093 1.00 0.00 H +ATOM 208 HZ2 LYS A 154 -16.684 16.212 -0.019 1.00 0.00 H +ATOM 209 HZ3 LYS A 154 -17.104 16.100 1.572 1.00 0.00 H +ATOM 210 N LEU A 155 -13.531 9.203 3.015 1.00 13.42 N +ATOM 211 CA LEU A 155 -13.586 8.362 4.213 1.00 12.61 C +ATOM 212 C LEU A 155 -14.486 9.024 5.259 1.00 12.59 C +ATOM 213 O LEU A 155 -14.250 10.164 5.663 1.00 13.26 O +ATOM 214 CB LEU A 155 -12.187 8.119 4.800 1.00 12.88 C +ATOM 215 CG LEU A 155 -12.164 7.172 5.994 1.00 15.48 C +ATOM 216 CD1 LEU A 155 -12.496 5.741 5.580 1.00 14.58 C +ATOM 217 CD2 LEU A 155 -10.805 7.230 6.677 1.00 17.72 C +ATOM 218 H LEU A 155 -12.707 9.769 2.869 1.00 0.00 H +ATOM 219 HA LEU A 155 -14.020 7.400 3.941 1.00 0.00 H +ATOM 220 HB2 LEU A 155 -11.530 7.733 4.020 1.00 0.00 H +ATOM 221 HB3 LEU A 155 -11.745 9.073 5.087 1.00 0.00 H +ATOM 222 HG LEU A 155 -12.918 7.504 6.707 1.00 0.00 H +ATOM 223 HD11 LEU A 155 -12.470 5.093 6.456 1.00 0.00 H +ATOM 224 HD12 LEU A 155 -13.491 5.712 5.137 1.00 0.00 H +ATOM 225 HD13 LEU A 155 -11.764 5.394 4.851 1.00 0.00 H +ATOM 226 HD21 LEU A 155 -10.797 6.550 7.529 1.00 0.00 H +ATOM 227 HD22 LEU A 155 -10.030 6.935 5.970 1.00 0.00 H +ATOM 228 HD23 LEU A 155 -10.614 8.246 7.022 1.00 0.00 H +ATOM 229 N LEU A 156 -15.530 8.302 5.674 1.00 11.61 N +ATOM 230 CA LEU A 156 -16.469 8.768 6.700 1.00 12.99 C +ATOM 231 C LEU A 156 -16.172 8.278 8.111 1.00 11.95 C +ATOM 232 O LEU A 156 -16.407 8.996 9.071 1.00 14.94 O +ATOM 233 CB LEU A 156 -17.898 8.369 6.315 1.00 12.58 C +ATOM 234 CG LEU A 156 -18.412 8.822 4.947 1.00 7.96 C +ATOM 235 CD1 LEU A 156 -19.781 8.212 4.652 1.00 9.52 C +ATOM 236 CD2 LEU A 156 -18.500 10.317 4.908 1.00 9.56 C +ATOM 237 H LEU A 156 -15.702 7.389 5.278 1.00 0.00 H +ATOM 238 HA LEU A 156 -16.425 9.857 6.715 1.00 0.00 H +ATOM 239 HB2 LEU A 156 -18.001 7.287 6.396 1.00 0.00 H +ATOM 240 HB3 LEU A 156 -18.586 8.713 7.088 1.00 0.00 H +ATOM 241 HG LEU A 156 -17.709 8.492 4.182 1.00 0.00 H +ATOM 242 HD11 LEU A 156 -20.126 8.548 3.674 1.00 0.00 H +ATOM 243 HD12 LEU A 156 -19.703 7.125 4.655 1.00 0.00 H +ATOM 244 HD13 LEU A 156 -20.492 8.527 5.416 1.00 0.00 H +ATOM 245 HD21 LEU A 156 -18.867 10.635 3.932 1.00 0.00 H +ATOM 246 HD22 LEU A 156 -19.185 10.661 5.682 1.00 0.00 H +ATOM 247 HD23 LEU A 156 -17.512 10.744 5.081 1.00 0.00 H +ATOM 248 N GLY A 157 -15.665 7.057 8.228 1.00 10.73 N +ATOM 249 CA GLY A 157 -15.387 6.438 9.511 1.00 12.79 C +ATOM 250 C GLY A 157 -14.443 5.265 9.318 1.00 13.97 C +ATOM 251 O GLY A 157 -14.335 4.683 8.239 1.00 11.94 O +ATOM 252 H GLY A 157 -15.455 6.516 7.401 1.00 0.00 H +ATOM 253 HA2 GLY A 157 -14.926 7.170 10.175 1.00 0.00 H +ATOM 254 HA3 GLY A 157 -16.319 6.085 9.953 1.00 0.00 H +ATOM 255 N LYS A 158 -13.725 4.933 10.370 1.00 16.33 N +ATOM 256 CA LYS A 158 -12.740 3.866 10.314 1.00 16.48 C +ATOM 257 C LYS A 158 -12.590 3.298 11.706 1.00 16.38 C +ATOM 258 O LYS A 158 -12.759 4.006 12.690 1.00 17.03 O +ATOM 259 CB LYS A 158 -11.401 4.407 9.797 1.00 16.98 C +ATOM 260 CG LYS A 158 -10.326 3.372 9.560 1.00 23.64 C +ATOM 261 CD LYS A 158 -9.089 4.031 8.984 1.00 25.70 C +ATOM 262 CE LYS A 158 -7.939 3.045 8.827 1.00 38.66 C +ATOM 263 NZ LYS A 158 -8.166 2.133 7.668 1.00 45.54 N1+ +ATOM 264 H LYS A 158 -13.852 5.424 11.243 1.00 0.00 H +ATOM 265 HA LYS A 158 -13.095 3.084 9.643 1.00 0.00 H +ATOM 266 HB2 LYS A 158 -11.570 4.967 8.878 1.00 0.00 H +ATOM 267 HB3 LYS A 158 -11.027 5.163 10.488 1.00 0.00 H +ATOM 268 HG2 LYS A 158 -10.074 2.888 10.504 1.00 0.00 H +ATOM 269 HG3 LYS A 158 -10.694 2.619 8.863 1.00 0.00 H +ATOM 270 HD2 LYS A 158 -9.328 4.466 8.014 1.00 0.00 H +ATOM 271 HD3 LYS A 158 -8.779 4.850 9.633 1.00 0.00 H +ATOM 272 HE2 LYS A 158 -7.008 3.593 8.680 1.00 0.00 H +ATOM 273 HE3 LYS A 158 -7.839 2.456 9.738 1.00 0.00 H +ATOM 274 HZ1 LYS A 158 -7.390 1.491 7.587 1.00 0.00 H +ATOM 275 HZ2 LYS A 158 -9.020 1.612 7.811 1.00 0.00 H +ATOM 276 HZ3 LYS A 158 -8.242 2.677 6.821 1.00 0.00 H +ATOM 277 N GLY A 159 -12.254 2.016 11.768 1.00 17.66 N +ATOM 278 CA GLY A 159 -12.077 1.313 13.039 1.00 21.03 C +ATOM 279 C GLY A 159 -11.225 0.077 12.866 1.00 19.32 C +ATOM 280 O GLY A 159 -10.704 -0.192 11.787 1.00 22.52 O +ATOM 281 H GLY A 159 -12.111 1.490 10.918 1.00 0.00 H +ATOM 282 HA2 GLY A 159 -11.606 1.981 13.760 1.00 0.00 H +ATOM 283 HA3 GLY A 159 -13.052 1.029 13.435 1.00 0.00 H +ATOM 284 N THR A 160 -11.111 -0.702 13.937 1.00 26.25 N +ATOM 285 CA THR A 160 -10.255 -1.882 13.912 1.00 27.96 C +ATOM 286 C THR A 160 -10.705 -2.889 12.853 1.00 27.13 C +ATOM 287 O THR A 160 -9.866 -3.539 12.216 1.00 29.63 O +ATOM 288 CB THR A 160 -10.137 -2.523 15.317 1.00 25.29 C +ATOM 289 CG2 THR A 160 -9.426 -1.585 16.252 1.00 32.54 C +ATOM 290 OG1 THR A 160 -11.435 -2.781 15.846 1.00 36.09 O +ATOM 291 H THR A 160 -11.620 -0.479 14.780 1.00 0.00 H +ATOM 292 HA THR A 160 -9.257 -1.546 13.630 1.00 0.00 H +ATOM 293 HB THR A 160 -9.580 -3.457 15.246 1.00 0.00 H +ATOM 294 HG1 THR A 160 -11.353 -3.178 16.716 1.00 0.00 H +ATOM 295 HG21 THR A 160 -9.347 -2.044 17.238 1.00 0.00 H +ATOM 296 HG22 THR A 160 -8.427 -1.376 15.868 1.00 0.00 H +ATOM 297 HG23 THR A 160 -9.987 -0.654 16.329 1.00 0.00 H +ATOM 298 N PHE A 161 -12.013 -2.977 12.606 1.00 27.03 N +ATOM 299 CA PHE A 161 -12.536 -3.991 11.675 1.00 26.34 C +ATOM 300 C PHE A 161 -12.653 -3.550 10.215 1.00 25.09 C +ATOM 301 O PHE A 161 -12.733 -4.387 9.318 1.00 25.12 O +ATOM 302 CB PHE A 161 -13.852 -4.558 12.189 1.00 27.57 C +ATOM 303 CG PHE A 161 -13.795 -4.944 13.626 1.00 30.70 C +ATOM 304 CD1 PHE A 161 -12.886 -5.897 14.056 1.00 39.20 C +ATOM 305 CD2 PHE A 161 -14.612 -4.329 14.561 1.00 35.63 C +ATOM 306 CE1 PHE A 161 -12.808 -6.243 15.385 1.00 37.13 C +ATOM 307 CE2 PHE A 161 -14.534 -4.671 15.895 1.00 40.96 C +ATOM 308 CZ PHE A 161 -13.630 -5.633 16.308 1.00 35.87 C +ATOM 309 H PHE A 161 -12.656 -2.344 13.060 1.00 0.00 H +ATOM 310 HA PHE A 161 -11.823 -4.815 11.689 1.00 0.00 H +ATOM 311 HB2 PHE A 161 -14.644 -3.824 12.042 1.00 0.00 H +ATOM 312 HB3 PHE A 161 -14.130 -5.426 11.592 1.00 0.00 H +ATOM 313 HD1 PHE A 161 -12.229 -6.376 13.345 1.00 0.00 H +ATOM 314 HD2 PHE A 161 -15.318 -3.574 14.248 1.00 0.00 H +ATOM 315 HE1 PHE A 161 -12.102 -6.994 15.707 1.00 0.00 H +ATOM 316 HE2 PHE A 161 -15.178 -4.188 16.615 1.00 0.00 H +ATOM 317 HZ PHE A 161 -13.567 -5.906 17.351 1.00 0.00 H +ATOM 318 N GLY A 162 -12.621 -2.249 9.956 1.00 20.91 N +ATOM 319 CA GLY A 162 -12.718 -1.804 8.574 1.00 18.37 C +ATOM 320 C GLY A 162 -13.003 -0.330 8.445 1.00 18.02 C +ATOM 321 O GLY A 162 -12.730 0.433 9.371 1.00 17.30 O +ATOM 322 H GLY A 162 -12.531 -1.586 10.712 1.00 0.00 H +ATOM 323 HA2 GLY A 162 -11.791 -2.041 8.052 1.00 0.00 H +ATOM 324 HA3 GLY A 162 -13.499 -2.370 8.066 1.00 0.00 H +ATOM 325 N LYS A 163 -13.592 0.042 7.308 1.00 15.76 N +ATOM 326 CA LYS A 163 -13.847 1.447 6.994 1.00 15.52 C +ATOM 327 C LYS A 163 -15.194 1.662 6.333 1.00 12.55 C +ATOM 328 O LYS A 163 -15.825 0.724 5.819 1.00 12.67 O +ATOM 329 CB LYS A 163 -12.752 1.992 6.084 1.00 17.38 C +ATOM 330 CG LYS A 163 -12.680 1.346 4.720 1.00 20.39 C +ATOM 331 CD LYS A 163 -11.296 1.486 4.102 1.00 27.84 C +ATOM 332 CE LYS A 163 -11.170 0.654 2.838 1.00 34.30 C +ATOM 333 NZ LYS A 163 -9.855 0.870 2.151 1.00 40.22 N1+ +ATOM 334 H LYS A 163 -13.876 -0.655 6.635 1.00 0.00 H +ATOM 335 HA LYS A 163 -13.830 2.013 7.925 1.00 0.00 H +ATOM 336 HB2 LYS A 163 -12.882 3.068 5.967 1.00 0.00 H +ATOM 337 HB3 LYS A 163 -11.787 1.893 6.581 1.00 0.00 H +ATOM 338 HG2 LYS A 163 -12.934 0.289 4.805 1.00 0.00 H +ATOM 339 HG3 LYS A 163 -13.419 1.804 4.062 1.00 0.00 H +ATOM 340 HD2 LYS A 163 -11.108 2.534 3.867 1.00 0.00 H +ATOM 341 HD3 LYS A 163 -10.543 1.167 4.823 1.00 0.00 H +ATOM 342 HE2 LYS A 163 -11.280 -0.402 3.086 1.00 0.00 H +ATOM 343 HE3 LYS A 163 -11.981 0.906 2.155 1.00 0.00 H +ATOM 344 HZ1 LYS A 163 -9.812 0.300 1.318 1.00 0.00 H +ATOM 345 HZ2 LYS A 163 -9.763 1.843 1.898 1.00 0.00 H +ATOM 346 HZ3 LYS A 163 -9.103 0.612 2.774 1.00 0.00 H +ATOM 347 N VAL A 164 -15.637 2.909 6.393 1.00 10.61 N +ATOM 348 CA VAL A 164 -16.868 3.332 5.760 1.00 11.22 C +ATOM 349 C VAL A 164 -16.543 4.531 4.867 1.00 10.26 C +ATOM 350 O VAL A 164 -16.021 5.555 5.334 1.00 10.69 O +ATOM 351 CB VAL A 164 -17.963 3.679 6.781 1.00 9.72 C +ATOM 352 CG1 VAL A 164 -19.251 4.056 6.045 1.00 10.19 C +ATOM 353 CG2 VAL A 164 -18.217 2.518 7.734 1.00 12.16 C +ATOM 354 H VAL A 164 -15.110 3.609 6.896 1.00 0.00 H +ATOM 355 HA VAL A 164 -17.229 2.520 5.129 1.00 0.00 H +ATOM 356 HB VAL A 164 -17.633 4.539 7.364 1.00 0.00 H +ATOM 357 HG11 VAL A 164 -20.026 4.302 6.771 1.00 0.00 H +ATOM 358 HG12 VAL A 164 -19.066 4.919 5.406 1.00 0.00 H +ATOM 359 HG13 VAL A 164 -19.580 3.216 5.433 1.00 0.00 H +ATOM 360 HG21 VAL A 164 -18.997 2.794 8.444 1.00 0.00 H +ATOM 361 HG22 VAL A 164 -18.536 1.644 7.166 1.00 0.00 H +ATOM 362 HG23 VAL A 164 -17.300 2.284 8.275 1.00 0.00 H +ATOM 363 N ILE A 165 -16.879 4.386 3.588 1.00 9.62 N +ATOM 364 CA ILE A 165 -16.573 5.325 2.532 1.00 12.49 C +ATOM 365 C ILE A 165 -17.863 5.860 1.876 1.00 11.85 C +ATOM 366 O ILE A 165 -18.780 5.098 1.572 1.00 10.47 O +ATOM 367 CB ILE A 165 -15.636 4.660 1.487 1.00 17.09 C +ATOM 368 CG1 ILE A 165 -14.311 4.250 2.168 1.00 16.91 C +ATOM 369 CG2 ILE A 165 -15.376 5.619 0.318 1.00 14.90 C +ATOM 370 CD1 ILE A 165 -13.415 3.466 1.280 1.00 25.29 C +ATOM 371 H ILE A 165 -17.390 3.567 3.290 1.00 0.00 H +ATOM 372 HA ILE A 165 -16.043 6.169 2.973 1.00 0.00 H +ATOM 373 HB ILE A 165 -16.123 3.764 1.102 1.00 0.00 H +ATOM 374 HG12 ILE A 165 -13.789 5.143 2.511 1.00 0.00 H +ATOM 375 HG13 ILE A 165 -14.529 3.670 3.065 1.00 0.00 H +ATOM 376 HG21 ILE A 165 -14.718 5.139 -0.407 1.00 0.00 H +ATOM 377 HG22 ILE A 165 -16.321 5.872 -0.162 1.00 0.00 H +ATOM 378 HG23 ILE A 165 -14.904 6.528 0.691 1.00 0.00 H +ATOM 379 HD11 ILE A 165 -12.503 3.210 1.818 1.00 0.00 H +ATOM 380 HD12 ILE A 165 -13.921 2.552 0.968 1.00 0.00 H +ATOM 381 HD13 ILE A 165 -13.163 4.060 0.401 1.00 0.00 H +ATOM 382 N LEU A 166 -17.905 7.168 1.658 1.00 10.64 N +ATOM 383 CA LEU A 166 -18.902 7.803 0.827 1.00 9.13 C +ATOM 384 C LEU A 166 -18.665 7.434 -0.621 1.00 9.61 C +ATOM 385 O LEU A 166 -17.602 7.707 -1.167 1.00 11.08 O +ATOM 386 CB LEU A 166 -18.836 9.318 1.010 1.00 10.12 C +ATOM 387 CG LEU A 166 -19.817 10.134 0.144 1.00 8.49 C +ATOM 388 CD1 LEU A 166 -21.245 9.821 0.518 1.00 13.22 C +ATOM 389 CD2 LEU A 166 -19.569 11.612 0.295 1.00 13.65 C +ATOM 390 H LEU A 166 -17.217 7.773 2.083 1.00 0.00 H +ATOM 391 HA LEU A 166 -19.890 7.452 1.126 1.00 0.00 H +ATOM 392 HB2 LEU A 166 -18.995 9.561 2.061 1.00 0.00 H +ATOM 393 HB3 LEU A 166 -17.818 9.660 0.820 1.00 0.00 H +ATOM 394 HG LEU A 166 -19.665 9.862 -0.901 1.00 0.00 H +ATOM 395 HD11 LEU A 166 -21.921 10.407 -0.105 1.00 0.00 H +ATOM 396 HD12 LEU A 166 -21.437 8.759 0.363 1.00 0.00 H +ATOM 397 HD13 LEU A 166 -21.410 10.070 1.566 1.00 0.00 H +ATOM 398 HD21 LEU A 166 -20.274 12.165 -0.326 1.00 0.00 H +ATOM 399 HD22 LEU A 166 -19.702 11.899 1.338 1.00 0.00 H +ATOM 400 HD23 LEU A 166 -18.551 11.844 -0.018 1.00 0.00 H +ATOM 401 N VAL A 167 -19.682 6.855 -1.253 1.00 9.68 N +ATOM 402 CA VAL A 167 -19.619 6.391 -2.629 1.00 10.54 C +ATOM 403 C VAL A 167 -20.771 6.915 -3.468 1.00 12.20 C +ATOM 404 O VAL A 167 -21.830 7.305 -2.958 1.00 10.38 O +ATOM 405 CB VAL A 167 -19.594 4.822 -2.742 1.00 8.97 C +ATOM 406 CG1 VAL A 167 -18.437 4.201 -1.962 1.00 12.15 C +ATOM 407 CG2 VAL A 167 -20.938 4.247 -2.298 1.00 10.71 C +ATOM 408 H VAL A 167 -20.561 6.717 -0.775 1.00 0.00 H +ATOM 409 HA VAL A 167 -18.694 6.769 -3.064 1.00 0.00 H +ATOM 410 HB VAL A 167 -19.457 4.569 -3.793 1.00 0.00 H +ATOM 411 HG11 VAL A 167 -18.464 3.117 -2.072 1.00 0.00 H +ATOM 412 HG12 VAL A 167 -17.492 4.581 -2.349 1.00 0.00 H +ATOM 413 HG13 VAL A 167 -18.528 4.461 -0.907 1.00 0.00 H +ATOM 414 HG21 VAL A 167 -20.913 3.160 -2.379 1.00 0.00 H +ATOM 415 HG22 VAL A 167 -21.131 4.530 -1.263 1.00 0.00 H +ATOM 416 HG23 VAL A 167 -21.730 4.640 -2.935 1.00 0.00 H +ATOM 417 N LYS A 168 -20.530 6.945 -4.773 1.00 11.93 N +ATOM 418 CA LYS A 168 -21.535 7.201 -5.803 1.00 11.36 C +ATOM 419 C LYS A 168 -21.668 5.975 -6.678 1.00 12.62 C +ATOM 420 O LYS A 168 -20.656 5.488 -7.204 1.00 11.46 O +ATOM 421 CB LYS A 168 -21.117 8.364 -6.688 1.00 12.98 C +ATOM 422 CG LYS A 168 -22.191 8.795 -7.659 1.00 15.68 C +ATOM 423 CD LYS A 168 -21.656 9.805 -8.707 1.00 17.52 C +ATOM 424 CE LYS A 168 -20.719 9.144 -9.720 1.00 19.29 C +ATOM 425 NZ LYS A 168 -20.491 9.938 -10.979 1.00 21.44 N1+ +ATOM 426 H LYS A 168 -19.594 6.783 -5.118 1.00 0.00 H +ATOM 427 HA LYS A 168 -22.493 7.423 -5.334 1.00 0.00 H +ATOM 428 HB2 LYS A 168 -20.833 9.211 -6.063 1.00 0.00 H +ATOM 429 HB3 LYS A 168 -20.217 8.093 -7.240 1.00 0.00 H +ATOM 430 HG2 LYS A 168 -22.590 7.919 -8.170 1.00 0.00 H +ATOM 431 HG3 LYS A 168 -23.017 9.246 -7.109 1.00 0.00 H +ATOM 432 HD2 LYS A 168 -22.495 10.260 -9.233 1.00 0.00 H +ATOM 433 HD3 LYS A 168 -21.128 10.611 -8.197 1.00 0.00 H +ATOM 434 HE2 LYS A 168 -19.760 8.939 -9.244 1.00 0.00 H +ATOM 435 HE3 LYS A 168 -21.106 8.159 -9.980 1.00 0.00 H +ATOM 436 HZ1 LYS A 168 -19.864 9.432 -11.588 1.00 0.00 H +ATOM 437 HZ2 LYS A 168 -21.373 10.084 -11.450 1.00 0.00 H +ATOM 438 HZ3 LYS A 168 -20.083 10.832 -10.745 1.00 0.00 H +ATOM 439 N GLU A 169 -22.900 5.473 -6.837 1.00 11.70 N +ATOM 440 CA GLU A 169 -23.186 4.443 -7.836 1.00 13.97 C +ATOM 441 C GLU A 169 -23.165 5.140 -9.200 1.00 12.81 C +ATOM 442 O GLU A 169 -24.006 6.004 -9.484 1.00 14.11 O +ATOM 443 CB GLU A 169 -24.539 3.752 -7.604 1.00 14.39 C +ATOM 444 CG GLU A 169 -24.714 2.550 -8.531 1.00 16.11 C +ATOM 445 CD GLU A 169 -25.957 1.698 -8.296 1.00 23.16 C +ATOM 446 OE1 GLU A 169 -26.657 1.905 -7.309 1.00 24.90 O +ATOM 447 OE2 GLU A 169 -26.224 0.817 -9.143 1.00 31.13 O1- +ATOM 448 H GLU A 169 -23.659 5.805 -6.259 1.00 0.00 H +ATOM 449 HA GLU A 169 -22.395 3.693 -7.809 1.00 0.00 H +ATOM 450 HB2 GLU A 169 -24.605 3.423 -6.567 1.00 0.00 H +ATOM 451 HB3 GLU A 169 -25.345 4.465 -7.778 1.00 0.00 H +ATOM 452 HG2 GLU A 169 -24.702 2.890 -9.567 1.00 0.00 H +ATOM 453 HG3 GLU A 169 -23.828 1.918 -8.471 1.00 0.00 H +ATOM 454 N LYS A 170 -22.176 4.781 -10.015 1.00 13.84 N +ATOM 455 CA LYS A 170 -21.941 5.439 -11.319 1.00 17.68 C +ATOM 456 C LYS A 170 -23.160 5.420 -12.232 1.00 15.09 C +ATOM 457 O LYS A 170 -23.494 6.431 -12.834 1.00 17.97 O +ATOM 458 CB LYS A 170 -20.760 4.801 -12.049 1.00 18.21 C +ATOM 459 CG LYS A 170 -19.433 5.011 -11.375 1.00 20.18 C +ATOM 460 CD LYS A 170 -18.421 4.023 -11.939 1.00 23.87 C +ATOM 461 CE LYS A 170 -17.049 4.208 -11.403 1.00 33.46 C +ATOM 462 NZ LYS A 170 -16.192 3.175 -12.060 1.00 30.78 N1+ +ATOM 463 H LYS A 170 -21.551 4.033 -9.751 1.00 0.00 H +ATOM 464 HA LYS A 170 -21.688 6.481 -11.124 1.00 0.00 H +ATOM 465 HB2 LYS A 170 -20.941 3.732 -12.165 1.00 0.00 H +ATOM 466 HB3 LYS A 170 -20.713 5.187 -13.067 1.00 0.00 H +ATOM 467 HG2 LYS A 170 -19.089 6.029 -11.560 1.00 0.00 H +ATOM 468 HG3 LYS A 170 -19.541 4.848 -10.303 1.00 0.00 H +ATOM 469 HD2 LYS A 170 -18.755 3.006 -11.734 1.00 0.00 H +ATOM 470 HD3 LYS A 170 -18.399 4.108 -13.025 1.00 0.00 H +ATOM 471 HE2 LYS A 170 -16.687 5.201 -11.669 1.00 0.00 H +ATOM 472 HE3 LYS A 170 -17.055 4.042 -10.326 1.00 0.00 H +ATOM 473 HZ1 LYS A 170 -15.243 3.262 -11.725 1.00 0.00 H +ATOM 474 HZ2 LYS A 170 -16.544 2.255 -11.839 1.00 0.00 H +ATOM 475 HZ3 LYS A 170 -16.209 3.310 -13.061 1.00 0.00 H +ATOM 476 N ALA A 171 -23.835 4.277 -12.332 1.00 17.73 N +ATOM 477 CA ALA A 171 -24.960 4.128 -13.259 1.00 18.23 C +ATOM 478 C ALA A 171 -26.180 4.985 -12.920 1.00 19.77 C +ATOM 479 O ALA A 171 -26.920 5.394 -13.814 1.00 22.81 O +ATOM 480 CB ALA A 171 -25.351 2.672 -13.360 1.00 18.73 C +ATOM 481 H ALA A 171 -23.575 3.486 -11.761 1.00 0.00 H +ATOM 482 HA ALA A 171 -24.611 4.438 -14.244 1.00 0.00 H +ATOM 483 HB1 ALA A 171 -26.188 2.567 -14.050 1.00 0.00 H +ATOM 484 HB2 ALA A 171 -24.504 2.092 -13.726 1.00 0.00 H +ATOM 485 HB3 ALA A 171 -25.644 2.305 -12.376 1.00 0.00 H +ATOM 486 N THR A 172 -26.400 5.263 -11.638 1.00 15.78 N +ATOM 487 CA THR A 172 -27.585 5.984 -11.186 1.00 16.54 C +ATOM 488 C THR A 172 -27.314 7.395 -10.660 1.00 14.71 C +ATOM 489 O THR A 172 -28.244 8.183 -10.527 1.00 18.05 O +ATOM 490 CB THR A 172 -28.275 5.226 -10.037 1.00 16.12 C +ATOM 491 CG2 THR A 172 -28.679 3.826 -10.466 1.00 20.35 C +ATOM 492 OG1 THR A 172 -27.381 5.169 -8.911 1.00 14.54 O +ATOM 493 H THR A 172 -25.734 4.973 -10.937 1.00 0.00 H +ATOM 494 HA THR A 172 -28.283 6.056 -12.020 1.00 0.00 H +ATOM 495 HB THR A 172 -29.171 5.774 -9.745 1.00 0.00 H +ATOM 496 HG1 THR A 172 -27.804 4.698 -8.190 1.00 0.00 H +ATOM 497 HG21 THR A 172 -29.164 3.316 -9.633 1.00 0.00 H +ATOM 498 HG22 THR A 172 -29.371 3.888 -11.306 1.00 0.00 H +ATOM 499 HG23 THR A 172 -27.793 3.268 -10.767 1.00 0.00 H +ATOM 500 N GLY A 173 -26.063 7.700 -10.319 1.00 15.78 N +ATOM 501 CA GLY A 173 -25.721 8.977 -9.692 1.00 14.12 C +ATOM 502 C GLY A 173 -26.109 9.128 -8.232 1.00 14.88 C +ATOM 503 O GLY A 173 -25.980 10.206 -7.680 1.00 15.74 O +ATOM 504 H GLY A 173 -25.317 7.041 -10.492 1.00 0.00 H +ATOM 505 HA2 GLY A 173 -24.651 9.155 -9.800 1.00 0.00 H +ATOM 506 HA3 GLY A 173 -26.164 9.790 -10.268 1.00 0.00 H +ATOM 507 N ARG A 174 -26.590 8.047 -7.616 1.00 14.25 N +ATOM 508 CA ARG A 174 -27.014 8.061 -6.223 1.00 12.95 C +ATOM 509 C ARG A 174 -25.838 7.829 -5.279 1.00 13.99 C +ATOM 510 O ARG A 174 -24.874 7.122 -5.638 1.00 12.25 O +ATOM 511 CB ARG A 174 -28.116 7.031 -5.995 1.00 15.55 C +ATOM 512 CG ARG A 174 -29.381 7.428 -6.722 1.00 18.78 C +ATOM 513 CD ARG A 174 -30.484 6.448 -6.535 1.00 24.92 C +ATOM 514 NE ARG A 174 -31.622 6.811 -7.380 1.00 30.49 N +ATOM 515 CZ ARG A 174 -32.825 6.243 -7.326 1.00 43.32 C +ATOM 516 NH1 ARG A 174 -33.086 5.273 -6.446 1.00 41.69 N1+ +ATOM 517 NH2 ARG A 174 -33.781 6.663 -8.151 1.00 42.67 N1+ +ATOM 518 H ARG A 174 -26.672 7.174 -8.118 1.00 0.00 H +ATOM 519 HA ARG A 174 -27.427 9.047 -6.008 1.00 0.00 H +ATOM 520 HB2 ARG A 174 -27.782 6.057 -6.353 1.00 0.00 H +ATOM 521 HB3 ARG A 174 -28.321 6.949 -4.928 1.00 0.00 H +ATOM 522 HG2 ARG A 174 -29.705 8.409 -6.375 1.00 0.00 H +ATOM 523 HG3 ARG A 174 -29.169 7.536 -7.786 1.00 0.00 H +ATOM 524 HD2 ARG A 174 -30.134 5.452 -6.805 1.00 0.00 H +ATOM 525 HD3 ARG A 174 -30.794 6.445 -5.490 1.00 0.00 H +ATOM 526 HE ARG A 174 -31.443 7.553 -8.042 1.00 0.00 H +ATOM 527 HH11 ARG A 174 -32.366 4.961 -5.810 1.00 0.00 H +ATOM 528 HH12 ARG A 174 -34.003 4.851 -6.417 1.00 0.00 H +ATOM 529 HH21 ARG A 174 -33.590 7.405 -8.809 1.00 0.00 H +ATOM 530 HH22 ARG A 174 -34.697 6.240 -8.119 1.00 0.00 H +ATOM 531 N TYR A 175 -25.926 8.434 -4.086 1.00 11.70 N +ATOM 532 CA TYR A 175 -24.859 8.391 -3.084 1.00 10.30 C +ATOM 533 C TYR A 175 -25.232 7.500 -1.906 1.00 10.71 C +ATOM 534 O TYR A 175 -26.414 7.461 -1.486 1.00 11.02 O +ATOM 535 CB TYR A 175 -24.489 9.810 -2.604 1.00 10.60 C +ATOM 536 CG TYR A 175 -23.981 10.686 -3.735 1.00 12.79 C +ATOM 537 CD1 TYR A 175 -22.633 10.796 -4.014 1.00 14.42 C +ATOM 538 CD2 TYR A 175 -24.872 11.374 -4.541 1.00 12.39 C +ATOM 539 CE1 TYR A 175 -22.186 11.590 -5.063 1.00 16.19 C +ATOM 540 CE2 TYR A 175 -24.432 12.175 -5.585 1.00 11.89 C +ATOM 541 CZ TYR A 175 -23.094 12.269 -5.843 1.00 17.76 C +ATOM 542 OH TYR A 175 -22.665 13.052 -6.896 1.00 19.03 O +ATOM 543 H TYR A 175 -26.759 8.951 -3.842 1.00 0.00 H +ATOM 544 HA TYR A 175 -23.977 7.961 -3.558 1.00 0.00 H +ATOM 545 HB2 TYR A 175 -25.362 10.277 -2.148 1.00 0.00 H +ATOM 546 HB3 TYR A 175 -23.727 9.743 -1.827 1.00 0.00 H +ATOM 547 HD1 TYR A 175 -21.912 10.261 -3.414 1.00 0.00 H +ATOM 548 HD2 TYR A 175 -25.934 11.293 -4.363 1.00 0.00 H +ATOM 549 HE1 TYR A 175 -21.128 11.673 -5.265 1.00 0.00 H +ATOM 550 HE2 TYR A 175 -25.146 12.718 -6.187 1.00 0.00 H +ATOM 551 HH TYR A 175 -23.424 13.450 -7.329 1.00 0.00 H +ATOM 552 N TYR A 176 -24.232 6.799 -1.386 1.00 12.86 N +ATOM 553 CA TYR A 176 -24.377 5.842 -0.297 1.00 11.55 C +ATOM 554 C TYR A 176 -23.152 5.836 0.613 1.00 10.56 C +ATOM 555 O TYR A 176 -22.107 6.363 0.248 1.00 9.57 O +ATOM 556 CB TYR A 176 -24.567 4.436 -0.879 1.00 9.44 C +ATOM 557 CG TYR A 176 -25.768 4.275 -1.773 1.00 10.25 C +ATOM 558 CD1 TYR A 176 -27.040 4.120 -1.251 1.00 11.86 C +ATOM 559 CD2 TYR A 176 -25.609 4.281 -3.137 1.00 12.72 C +ATOM 560 CE1 TYR A 176 -28.134 3.989 -2.097 1.00 14.31 C +ATOM 561 CE2 TYR A 176 -26.679 4.171 -3.999 1.00 13.56 C +ATOM 562 CZ TYR A 176 -27.939 4.027 -3.474 1.00 12.73 C +ATOM 563 OH TYR A 176 -29.012 3.893 -4.326 1.00 18.25 O +ATOM 564 H TYR A 176 -23.295 6.912 -1.746 1.00 0.00 H +ATOM 565 HA TYR A 176 -25.256 6.104 0.292 1.00 0.00 H +ATOM 566 HB2 TYR A 176 -23.669 4.148 -1.426 1.00 0.00 H +ATOM 567 HB3 TYR A 176 -24.624 3.713 -0.065 1.00 0.00 H +ATOM 568 HD1 TYR A 176 -27.186 4.100 -0.181 1.00 0.00 H +ATOM 569 HD2 TYR A 176 -24.622 4.374 -3.565 1.00 0.00 H +ATOM 570 HE1 TYR A 176 -29.123 3.859 -1.684 1.00 0.00 H +ATOM 571 HE2 TYR A 176 -26.518 4.199 -5.066 1.00 0.00 H +ATOM 572 HH TYR A 176 -28.707 3.941 -5.235 1.00 0.00 H +ATOM 573 N ALA A 177 -23.299 5.302 1.823 1.00 9.53 N +ATOM 574 CA ALA A 177 -22.158 4.930 2.667 1.00 9.44 C +ATOM 575 C ALA A 177 -21.871 3.458 2.460 1.00 10.63 C +ATOM 576 O ALA A 177 -22.762 2.621 2.683 1.00 9.29 O +ATOM 577 CB ALA A 177 -22.473 5.205 4.126 1.00 11.85 C +ATOM 578 H ALA A 177 -24.224 5.138 2.194 1.00 0.00 H +ATOM 579 HA ALA A 177 -21.286 5.512 2.371 1.00 0.00 H +ATOM 580 HB1 ALA A 177 -21.618 4.925 4.742 1.00 0.00 H +ATOM 581 HB2 ALA A 177 -22.684 6.266 4.259 1.00 0.00 H +ATOM 582 HB3 ALA A 177 -23.344 4.622 4.426 1.00 0.00 H +ATOM 583 N MET A 178 -20.656 3.135 2.028 1.00 9.58 N +ATOM 584 CA MET A 178 -20.212 1.750 1.894 1.00 9.15 C +ATOM 585 C MET A 178 -19.262 1.322 2.985 1.00 10.50 C +ATOM 586 O MET A 178 -18.134 1.843 3.094 1.00 9.05 O +ATOM 587 CB MET A 178 -19.567 1.482 0.534 1.00 10.06 C +ATOM 588 CG MET A 178 -19.258 -0.018 0.304 1.00 10.61 C +ATOM 589 SD MET A 178 -18.205 -0.481 -1.080 1.00 13.06 S +ATOM 590 CE MET A 178 -19.266 0.022 -2.411 1.00 11.76 C +ATOM 591 H MET A 178 -20.000 3.861 1.778 1.00 0.00 H +ATOM 592 HA MET A 178 -21.096 1.116 1.965 1.00 0.00 H +ATOM 593 HB2 MET A 178 -20.226 1.841 -0.256 1.00 0.00 H +ATOM 594 HB3 MET A 178 -18.646 2.059 0.450 1.00 0.00 H +ATOM 595 HG2 MET A 178 -18.848 -0.442 1.221 1.00 0.00 H +ATOM 596 HG3 MET A 178 -20.196 -0.569 0.237 1.00 0.00 H +ATOM 597 HE1 MET A 178 -18.779 -0.188 -3.363 1.00 0.00 H +ATOM 598 HE2 MET A 178 -20.206 -0.528 -2.355 1.00 0.00 H +ATOM 599 HE3 MET A 178 -19.466 1.091 -2.333 1.00 0.00 H +ATOM 600 N LYS A 179 -19.720 0.372 3.801 1.00 9.33 N +ATOM 601 CA LYS A 179 -18.872 -0.258 4.815 1.00 8.27 C +ATOM 602 C LYS A 179 -18.136 -1.397 4.131 1.00 9.72 C +ATOM 603 O LYS A 179 -18.742 -2.258 3.514 1.00 12.12 O +ATOM 604 CB LYS A 179 -19.653 -0.721 6.042 1.00 12.56 C +ATOM 605 CG LYS A 179 -18.816 -1.473 7.036 1.00 11.86 C +ATOM 606 CD LYS A 179 -19.393 -1.381 8.448 1.00 17.32 C +ATOM 607 CE LYS A 179 -20.711 -2.076 8.615 1.00 21.31 C +ATOM 608 NZ LYS A 179 -21.114 -1.989 10.076 1.00 18.88 N1+ +ATOM 609 H LYS A 179 -20.680 0.066 3.731 1.00 0.00 H +ATOM 610 HA LYS A 179 -18.133 0.474 5.141 1.00 0.00 H +ATOM 611 HB2 LYS A 179 -20.105 0.142 6.530 1.00 0.00 H +ATOM 612 HB3 LYS A 179 -20.487 -1.347 5.725 1.00 0.00 H +ATOM 613 HG2 LYS A 179 -18.752 -2.519 6.738 1.00 0.00 H +ATOM 614 HG3 LYS A 179 -17.802 -1.074 7.032 1.00 0.00 H +ATOM 615 HD2 LYS A 179 -18.676 -1.791 9.159 1.00 0.00 H +ATOM 616 HD3 LYS A 179 -19.499 -0.333 8.727 1.00 0.00 H +ATOM 617 HE2 LYS A 179 -21.463 -1.580 8.001 1.00 0.00 H +ATOM 618 HE3 LYS A 179 -20.608 -3.123 8.329 1.00 0.00 H +ATOM 619 HZ1 LYS A 179 -22.001 -2.453 10.209 1.00 0.00 H +ATOM 620 HZ2 LYS A 179 -20.412 -2.437 10.647 1.00 0.00 H +ATOM 621 HZ3 LYS A 179 -21.198 -1.019 10.346 1.00 0.00 H +ATOM 622 N ILE A 180 -16.819 -1.354 4.218 1.00 11.03 N +ATOM 623 CA ILE A 180 -15.937 -2.354 3.619 1.00 11.32 C +ATOM 624 C ILE A 180 -15.119 -3.028 4.737 1.00 11.95 C +ATOM 625 O ILE A 180 -14.384 -2.369 5.464 1.00 13.41 O +ATOM 626 CB ILE A 180 -14.974 -1.707 2.605 1.00 12.24 C +ATOM 627 CG1 ILE A 180 -15.768 -0.970 1.536 1.00 11.70 C +ATOM 628 CG2 ILE A 180 -14.044 -2.764 1.991 1.00 15.84 C +ATOM 629 CD1 ILE A 180 -14.913 -0.133 0.595 1.00 15.48 C +ATOM 630 H ILE A 180 -16.370 -0.601 4.719 1.00 0.00 H +ATOM 631 HA ILE A 180 -16.540 -3.107 3.112 1.00 0.00 H +ATOM 632 HB ILE A 180 -14.360 -0.979 3.135 1.00 0.00 H +ATOM 633 HG12 ILE A 180 -16.346 -1.689 0.956 1.00 0.00 H +ATOM 634 HG13 ILE A 180 -16.511 -0.331 2.014 1.00 0.00 H +ATOM 635 HG21 ILE A 180 -13.372 -2.287 1.278 1.00 0.00 H +ATOM 636 HG22 ILE A 180 -13.459 -3.237 2.780 1.00 0.00 H +ATOM 637 HG23 ILE A 180 -14.640 -3.519 1.479 1.00 0.00 H +ATOM 638 HD11 ILE A 180 -15.553 0.360 -0.137 1.00 0.00 H +ATOM 639 HD12 ILE A 180 -14.371 0.619 1.168 1.00 0.00 H +ATOM 640 HD13 ILE A 180 -14.202 -0.778 0.079 1.00 0.00 H +ATOM 641 N LEU A 181 -15.320 -4.338 4.876 1.00 12.09 N +ATOM 642 CA LEU A 181 -14.649 -5.153 5.891 1.00 12.60 C +ATOM 643 C LEU A 181 -13.750 -6.179 5.228 1.00 14.11 C +ATOM 644 O LEU A 181 -14.157 -6.830 4.285 1.00 15.49 O +ATOM 645 CB LEU A 181 -15.674 -5.881 6.762 1.00 14.12 C +ATOM 646 CG LEU A 181 -16.779 -5.036 7.390 1.00 14.99 C +ATOM 647 CD1 LEU A 181 -17.720 -5.901 8.193 1.00 21.13 C +ATOM 648 CD2 LEU A 181 -16.198 -3.911 8.231 1.00 16.40 C +ATOM 649 H LEU A 181 -15.963 -4.818 4.263 1.00 0.00 H +ATOM 650 HA LEU A 181 -14.042 -4.505 6.523 1.00 0.00 H +ATOM 651 HB2 LEU A 181 -16.125 -6.689 6.186 1.00 0.00 H +ATOM 652 HB3 LEU A 181 -15.152 -6.429 7.547 1.00 0.00 H +ATOM 653 HG LEU A 181 -17.352 -4.584 6.581 1.00 0.00 H +ATOM 654 HD11 LEU A 181 -18.500 -5.279 8.632 1.00 0.00 H +ATOM 655 HD12 LEU A 181 -18.174 -6.647 7.541 1.00 0.00 H +ATOM 656 HD13 LEU A 181 -17.166 -6.402 8.987 1.00 0.00 H +ATOM 657 HD21 LEU A 181 -17.008 -3.326 8.666 1.00 0.00 H +ATOM 658 HD22 LEU A 181 -15.586 -4.332 9.029 1.00 0.00 H +ATOM 659 HD23 LEU A 181 -15.582 -3.267 7.602 1.00 0.00 H +ATOM 660 N LYS A 182 -12.539 -6.331 5.758 1.00 14.74 N +ATOM 661 CA LYS A 182 -11.649 -7.396 5.321 1.00 17.15 C +ATOM 662 C LYS A 182 -12.015 -8.695 6.038 1.00 15.26 C +ATOM 663 O LYS A 182 -12.015 -8.770 7.270 1.00 17.52 O +ATOM 664 CB LYS A 182 -10.196 -7.035 5.597 1.00 20.02 C +ATOM 665 CG LYS A 182 -9.667 -5.888 4.755 1.00 26.95 C +ATOM 666 CD LYS A 182 -8.295 -5.437 5.251 1.00 37.19 C +ATOM 667 CE LYS A 182 -7.778 -4.216 4.491 1.00 42.36 C +ATOM 668 NZ LYS A 182 -6.755 -3.465 5.277 1.00 47.16 N1+ +ATOM 669 H LYS A 182 -12.221 -5.700 6.479 1.00 0.00 H +ATOM 670 HA LYS A 182 -11.776 -7.540 4.248 1.00 0.00 H +ATOM 671 HB2 LYS A 182 -10.079 -6.792 6.653 1.00 0.00 H +ATOM 672 HB3 LYS A 182 -9.570 -7.914 5.444 1.00 0.00 H +ATOM 673 HG2 LYS A 182 -9.590 -6.206 3.715 1.00 0.00 H +ATOM 674 HG3 LYS A 182 -10.364 -5.051 4.803 1.00 0.00 H +ATOM 675 HD2 LYS A 182 -8.352 -5.204 6.314 1.00 0.00 H +ATOM 676 HD3 LYS A 182 -7.584 -6.257 5.146 1.00 0.00 H +ATOM 677 HE2 LYS A 182 -7.344 -4.536 3.543 1.00 0.00 H +ATOM 678 HE3 LYS A 182 -8.612 -3.555 4.256 1.00 0.00 H +ATOM 679 HZ1 LYS A 182 -6.438 -2.668 4.744 1.00 0.00 H +ATOM 680 HZ2 LYS A 182 -7.163 -3.148 6.145 1.00 0.00 H +ATOM 681 HZ3 LYS A 182 -5.971 -4.070 5.475 1.00 0.00 H +ATOM 682 N LYS A 183 -12.335 -9.711 5.242 1.00 17.01 N +ATOM 683 CA LYS A 183 -12.628 -11.046 5.739 1.00 15.97 C +ATOM 684 C LYS A 183 -11.596 -11.566 6.739 1.00 15.38 C +ATOM 685 O LYS A 183 -11.968 -12.081 7.790 1.00 16.20 O +ATOM 686 CB LYS A 183 -12.795 -12.022 4.563 1.00 12.61 C +ATOM 687 CG LYS A 183 -14.074 -11.818 3.806 1.00 16.27 C +ATOM 688 CD LYS A 183 -14.196 -12.808 2.665 1.00 19.04 C +ATOM 689 CE LYS A 183 -15.482 -12.606 1.898 1.00 16.78 C +ATOM 690 NZ LYS A 183 -15.635 -13.572 0.773 1.00 16.18 N1+ +ATOM 691 H LYS A 183 -12.383 -9.574 4.243 1.00 0.00 H +ATOM 692 HA LYS A 183 -13.585 -10.996 6.257 1.00 0.00 H +ATOM 693 HB2 LYS A 183 -11.950 -11.916 3.882 1.00 0.00 H +ATOM 694 HB3 LYS A 183 -12.753 -13.046 4.934 1.00 0.00 H +ATOM 695 HG2 LYS A 183 -14.920 -11.939 4.483 1.00 0.00 H +ATOM 696 HG3 LYS A 183 -14.103 -10.803 3.410 1.00 0.00 H +ATOM 697 HD2 LYS A 183 -13.348 -12.690 1.990 1.00 0.00 H +ATOM 698 HD3 LYS A 183 -14.165 -13.823 3.061 1.00 0.00 H +ATOM 699 HE2 LYS A 183 -16.328 -12.704 2.578 1.00 0.00 H +ATOM 700 HE3 LYS A 183 -15.516 -11.588 1.509 1.00 0.00 H +ATOM 701 HZ1 LYS A 183 -16.507 -13.396 0.294 1.00 0.00 H +ATOM 702 HZ2 LYS A 183 -14.867 -13.461 0.126 1.00 0.00 H +ATOM 703 HZ3 LYS A 183 -15.635 -14.515 1.136 1.00 0.00 H +ATOM 704 N GLU A 184 -10.315 -11.408 6.408 1.00 16.86 N +ATOM 705 CA GLU A 184 -9.230 -11.953 7.221 1.00 18.87 C +ATOM 706 C GLU A 184 -9.258 -11.330 8.616 1.00 19.20 C +ATOM 707 O GLU A 184 -9.014 -12.001 9.620 1.00 16.17 O +ATOM 708 CB GLU A 184 -7.880 -11.693 6.539 1.00 20.59 C +ATOM 709 CG GLU A 184 -6.731 -12.577 7.054 1.00 27.54 C +ATOM 710 CD GLU A 184 -6.152 -12.128 8.401 1.00 41.80 C +ATOM 711 OE1 GLU A 184 -5.782 -13.019 9.218 1.00 42.77 O +ATOM 712 OE2 GLU A 184 -6.067 -10.895 8.644 1.00 43.86 O1- +ATOM 713 H GLU A 184 -10.069 -10.898 5.572 1.00 0.00 H +ATOM 714 HA GLU A 184 -9.372 -13.030 7.316 1.00 0.00 H +ATOM 715 HB2 GLU A 184 -7.987 -11.830 5.463 1.00 0.00 H +ATOM 716 HB3 GLU A 184 -7.610 -10.644 6.660 1.00 0.00 H +ATOM 717 HG2 GLU A 184 -7.076 -13.608 7.135 1.00 0.00 H +ATOM 718 HG3 GLU A 184 -5.935 -12.605 6.310 1.00 0.00 H +ATOM 719 N VAL A 185 -9.573 -10.042 8.672 1.00 19.16 N +ATOM 720 CA VAL A 185 -9.584 -9.323 9.945 1.00 19.56 C +ATOM 721 C VAL A 185 -10.762 -9.772 10.797 1.00 17.86 C +ATOM 722 O VAL A 185 -10.611 -10.079 11.969 1.00 17.22 O +ATOM 723 CB VAL A 185 -9.607 -7.793 9.711 1.00 21.83 C +ATOM 724 CG1 VAL A 185 -9.679 -7.039 11.027 1.00 25.12 C +ATOM 725 CG2 VAL A 185 -8.371 -7.367 8.928 1.00 22.52 C +ATOM 726 H VAL A 185 -9.810 -9.543 7.827 1.00 0.00 H +ATOM 727 HA VAL A 185 -8.667 -9.569 10.480 1.00 0.00 H +ATOM 728 HB VAL A 185 -10.491 -7.547 9.123 1.00 0.00 H +ATOM 729 HG11 VAL A 185 -9.694 -5.967 10.832 1.00 0.00 H +ATOM 730 HG12 VAL A 185 -10.586 -7.323 11.560 1.00 0.00 H +ATOM 731 HG13 VAL A 185 -8.809 -7.285 11.635 1.00 0.00 H +ATOM 732 HG21 VAL A 185 -8.395 -6.289 8.768 1.00 0.00 H +ATOM 733 HG22 VAL A 185 -7.475 -7.630 9.491 1.00 0.00 H +ATOM 734 HG23 VAL A 185 -8.357 -7.877 7.965 1.00 0.00 H +ATOM 735 N ILE A 186 -11.937 -9.844 10.191 1.00 17.91 N +ATOM 736 CA ILE A 186 -13.158 -10.285 10.861 0.50 18.04 C +ATOM 737 C ILE A 186 -12.999 -11.696 11.453 1.00 19.39 C +ATOM 738 O ILE A 186 -13.472 -11.999 12.554 1.00 17.14 O +ATOM 739 CB ILE A 186 -14.354 -10.270 9.858 0.50 17.66 C +ATOM 740 CG1 ILE A 186 -14.712 -8.833 9.428 0.50 20.59 C +ATOM 741 CG2 ILE A 186 -15.567 -10.933 10.438 0.50 14.98 C +ATOM 742 CD1 ILE A 186 -15.220 -7.920 10.546 0.50 21.52 C +ATOM 743 H ILE A 186 -12.020 -9.587 9.218 1.00 0.00 H +ATOM 744 HA ILE A 186 -13.378 -9.591 11.673 0.50 0.00 H +ATOM 745 HB ILE A 186 -14.057 -10.826 8.969 0.50 0.00 H +ATOM 746 HG12 ILE A 186 -13.846 -8.373 8.953 0.50 0.00 H +ATOM 747 HG13 ILE A 186 -15.452 -8.870 8.629 0.50 0.00 H +ATOM 748 HG21 ILE A 186 -16.380 -10.904 9.712 0.50 0.00 H +ATOM 749 HG22 ILE A 186 -15.334 -11.970 10.681 0.50 0.00 H +ATOM 750 HG23 ILE A 186 -15.871 -10.408 11.344 0.50 0.00 H +ATOM 751 HD11 ILE A 186 -15.443 -6.934 10.138 0.50 0.00 H +ATOM 752 HD12 ILE A 186 -16.125 -8.346 10.981 0.50 0.00 H +ATOM 753 HD13 ILE A 186 -14.455 -7.829 11.317 0.50 0.00 H +ATOM 754 N VAL A 187 -12.348 -12.577 10.688 1.00 18.72 N +ATOM 755 CA VAL A 187 -12.134 -13.957 11.126 1.00 19.45 C +ATOM 756 C VAL A 187 -11.153 -13.966 12.306 1.00 18.82 C +ATOM 757 O VAL A 187 -11.416 -14.598 13.323 1.00 19.37 O +ATOM 758 CB VAL A 187 -11.644 -14.862 9.973 1.00 19.41 C +ATOM 759 CG1 VAL A 187 -11.149 -16.202 10.510 1.00 21.71 C +ATOM 760 CG2 VAL A 187 -12.784 -15.100 9.015 1.00 19.60 C +ATOM 761 H VAL A 187 -11.991 -12.296 9.786 1.00 0.00 H +ATOM 762 HA VAL A 187 -13.088 -14.349 11.479 1.00 0.00 H +ATOM 763 HB VAL A 187 -10.830 -14.364 9.446 1.00 0.00 H +ATOM 764 HG11 VAL A 187 -10.809 -16.823 9.681 1.00 0.00 H +ATOM 765 HG12 VAL A 187 -10.323 -16.034 11.201 1.00 0.00 H +ATOM 766 HG13 VAL A 187 -11.961 -16.707 11.032 1.00 0.00 H +ATOM 767 HG21 VAL A 187 -12.446 -15.738 8.198 1.00 0.00 H +ATOM 768 HG22 VAL A 187 -13.605 -15.588 9.540 1.00 0.00 H +ATOM 769 HG23 VAL A 187 -13.126 -14.147 8.613 1.00 0.00 H +ATOM 770 N ALA A 188 -10.039 -13.247 12.151 1.00 20.77 N +ATOM 771 CA ALA A 188 -8.972 -13.181 13.170 1.00 23.99 C +ATOM 772 C ALA A 188 -9.470 -12.635 14.507 1.00 26.52 C +ATOM 773 O ALA A 188 -9.032 -13.083 15.562 1.00 25.91 O +ATOM 774 CB ALA A 188 -7.810 -12.337 12.685 1.00 22.53 C +ATOM 775 H ALA A 188 -9.896 -12.714 11.305 1.00 0.00 H +ATOM 776 HA ALA A 188 -8.605 -14.194 13.337 1.00 0.00 H +ATOM 777 HB1 ALA A 188 -7.038 -12.305 13.454 1.00 0.00 H +ATOM 778 HB2 ALA A 188 -7.398 -12.774 11.775 1.00 0.00 H +ATOM 779 HB3 ALA A 188 -8.157 -11.325 12.477 1.00 0.00 H +ATOM 780 N LYS A 189 -10.392 -11.676 14.443 1.00 25.92 N +ATOM 781 CA LYS A 189 -10.904 -10.984 15.628 1.00 27.00 C +ATOM 782 C LYS A 189 -12.218 -11.551 16.139 1.00 27.99 C +ATOM 783 O LYS A 189 -12.839 -10.949 17.008 1.00 29.06 O +ATOM 784 CB LYS A 189 -11.111 -9.505 15.311 1.00 28.61 C +ATOM 785 CG LYS A 189 -9.860 -8.749 14.895 1.00 33.75 C +ATOM 786 CD LYS A 189 -8.928 -8.510 16.065 1.00 43.55 C +ATOM 787 CE LYS A 189 -7.602 -7.911 15.601 1.00 50.66 C +ATOM 788 NZ LYS A 189 -6.568 -7.937 16.685 1.00 56.04 N1+ +ATOM 789 H LYS A 189 -10.769 -11.397 13.549 1.00 0.00 H +ATOM 790 HA LYS A 189 -10.162 -11.065 16.422 1.00 0.00 H +ATOM 791 HB2 LYS A 189 -11.867 -9.406 14.533 1.00 0.00 H +ATOM 792 HB3 LYS A 189 -11.561 -9.011 16.173 1.00 0.00 H +ATOM 793 HG2 LYS A 189 -9.336 -9.312 14.123 1.00 0.00 H +ATOM 794 HG3 LYS A 189 -10.144 -7.792 14.456 1.00 0.00 H +ATOM 795 HD2 LYS A 189 -9.403 -7.833 16.775 1.00 0.00 H +ATOM 796 HD3 LYS A 189 -8.740 -9.453 16.578 1.00 0.00 H +ATOM 797 HE2 LYS A 189 -7.236 -8.466 14.737 1.00 0.00 H +ATOM 798 HE3 LYS A 189 -7.762 -6.883 15.277 1.00 0.00 H +ATOM 799 HZ1 LYS A 189 -5.708 -7.534 16.341 1.00 0.00 H +ATOM 800 HZ2 LYS A 189 -6.896 -7.403 17.477 1.00 0.00 H +ATOM 801 HZ3 LYS A 189 -6.401 -8.892 16.969 1.00 0.00 H +ATOM 802 N ASP A 190 -12.654 -12.692 15.611 1.00 26.45 N +ATOM 803 CA ASP A 190 -13.890 -13.330 16.085 1.00 28.65 C +ATOM 804 C ASP A 190 -15.097 -12.392 15.975 1.00 28.58 C +ATOM 805 O ASP A 190 -15.951 -12.341 16.863 1.00 28.44 O +ATOM 806 CB ASP A 190 -13.711 -13.785 17.534 1.00 31.18 C +ATOM 807 CG ASP A 190 -14.589 -14.959 17.887 1.00 37.98 C +ATOM 808 OD1 ASP A 190 -14.600 -15.936 17.105 1.00 50.40 O +ATOM 809 OD2 ASP A 190 -15.252 -14.918 18.952 1.00 53.88 O1- +ATOM 810 H ASP A 190 -12.133 -13.137 14.869 1.00 0.00 H +ATOM 811 HA ASP A 190 -14.081 -14.209 15.470 1.00 0.00 H +ATOM 812 HB2 ASP A 190 -12.667 -14.049 17.704 1.00 0.00 H +ATOM 813 HB3 ASP A 190 -13.930 -12.954 18.204 1.00 0.00 H +ATOM 814 N GLU A 191 -15.149 -11.662 14.861 1.00 26.14 N +ATOM 815 CA GLU A 191 -16.185 -10.661 14.597 1.00 23.76 C +ATOM 816 C GLU A 191 -17.153 -11.164 13.527 1.00 22.11 C +ATOM 817 O GLU A 191 -18.018 -10.421 13.057 1.00 19.29 O +ATOM 818 CB GLU A 191 -15.493 -9.356 14.199 1.00 24.40 C +ATOM 819 CG GLU A 191 -16.366 -8.148 13.856 1.00 30.50 C +ATOM 820 CD GLU A 191 -17.142 -7.556 15.030 1.00 34.75 C +ATOM 821 OE1 GLU A 191 -16.971 -8.007 16.183 1.00 25.02 O +ATOM 822 OE2 GLU A 191 -17.927 -6.615 14.777 1.00 37.41 O1- +ATOM 823 H GLU A 191 -14.449 -11.785 14.143 1.00 0.00 H +ATOM 824 HA GLU A 191 -16.744 -10.490 15.517 1.00 0.00 H +ATOM 825 HB2 GLU A 191 -14.786 -9.075 14.979 1.00 0.00 H +ATOM 826 HB3 GLU A 191 -14.813 -9.551 13.370 1.00 0.00 H +ATOM 827 HG2 GLU A 191 -15.747 -7.372 13.405 1.00 0.00 H +ATOM 828 HG3 GLU A 191 -17.063 -8.420 13.064 1.00 0.00 H +ATOM 829 N VAL A 192 -17.045 -12.443 13.165 1.00 22.34 N +ATOM 830 CA VAL A 192 -17.876 -13.021 12.095 1.00 21.12 C +ATOM 831 C VAL A 192 -19.362 -13.042 12.445 1.00 20.29 C +ATOM 832 O VAL A 192 -20.197 -12.590 11.660 1.00 18.61 O +ATOM 833 CB VAL A 192 -17.421 -14.458 11.715 1.00 21.64 C +ATOM 834 CG1 VAL A 192 -18.347 -15.068 10.675 1.00 25.09 C +ATOM 835 CG2 VAL A 192 -16.005 -14.428 11.173 1.00 22.62 C +ATOM 836 H VAL A 192 -16.379 -13.045 13.628 1.00 0.00 H +ATOM 837 HA VAL A 192 -17.756 -12.394 11.211 1.00 0.00 H +ATOM 838 HB VAL A 192 -17.441 -15.080 12.610 1.00 0.00 H +ATOM 839 HG11 VAL A 192 -18.005 -16.073 10.428 1.00 0.00 H +ATOM 840 HG12 VAL A 192 -19.360 -15.117 11.074 1.00 0.00 H +ATOM 841 HG13 VAL A 192 -18.341 -14.452 9.776 1.00 0.00 H +ATOM 842 HG21 VAL A 192 -15.695 -15.439 10.909 1.00 0.00 H +ATOM 843 HG22 VAL A 192 -15.968 -13.795 10.287 1.00 0.00 H +ATOM 844 HG23 VAL A 192 -15.333 -14.029 11.933 1.00 0.00 H +ATOM 845 N ALA A 193 -19.681 -13.559 13.626 1.00 18.99 N +ATOM 846 CA ALA A 193 -21.061 -13.679 14.066 1.00 17.70 C +ATOM 847 C ALA A 193 -21.729 -12.294 14.105 1.00 15.87 C +ATOM 848 O ALA A 193 -22.872 -12.151 13.691 1.00 15.44 O +ATOM 849 CB ALA A 193 -21.131 -14.347 15.457 1.00 19.23 C +ATOM 850 H ALA A 193 -18.954 -13.883 14.248 1.00 0.00 H +ATOM 851 HA ALA A 193 -21.599 -14.304 13.353 1.00 0.00 H +ATOM 852 HB1 ALA A 193 -22.172 -14.428 15.770 1.00 0.00 H +ATOM 853 HB2 ALA A 193 -20.689 -15.342 15.405 1.00 0.00 H +ATOM 854 HB3 ALA A 193 -20.581 -13.743 16.179 1.00 0.00 H +ATOM 855 N HID A 194 -21.006 -11.293 14.586 1.00 15.56 N +ATOM 856 CA HID A 194 -21.547 -9.929 14.646 1.00 16.83 C +ATOM 857 C HID A 194 -21.848 -9.412 13.243 1.00 16.78 C +ATOM 858 O HID A 194 -22.897 -8.820 12.997 1.00 13.40 O +ATOM 859 CB HID A 194 -20.567 -8.978 15.341 1.00 14.14 C +ATOM 860 CG HID A 194 -20.418 -9.224 16.810 1.00 14.07 C +ATOM 861 CD2 HID A 194 -21.197 -9.908 17.679 1.00 18.57 C +ATOM 862 ND1 HID A 194 -19.356 -8.736 17.539 1.00 24.53 N +ATOM 863 CE1 HID A 194 -19.499 -9.101 18.801 1.00 24.36 C +ATOM 864 NE2 HID A 194 -20.607 -9.810 18.915 1.00 22.01 N +ATOM 865 H HID A 194 -20.067 -11.462 14.919 1.00 0.00 H +ATOM 866 HA HID A 194 -22.476 -9.948 15.216 1.00 0.00 H +ATOM 867 HB2 HID A 194 -19.591 -9.051 14.861 1.00 0.00 H +ATOM 868 HB3 HID A 194 -20.885 -7.948 15.177 1.00 0.00 H +ATOM 869 HD1 HID A 194 -18.636 -8.196 17.082 1.00 0.00 H +ATOM 870 HD2 HID A 194 -22.095 -10.397 17.330 1.00 0.00 H +ATOM 871 HE1 HID A 194 -18.763 -8.807 19.535 1.00 0.00 H +ATOM 872 N THR A 195 -20.916 -9.638 12.330 1.00 14.91 N +ATOM 873 CA THR A 195 -21.009 -9.147 10.962 1.00 16.46 C +ATOM 874 C THR A 195 -22.224 -9.769 10.275 1.00 14.46 C +ATOM 875 O THR A 195 -23.020 -9.081 9.629 1.00 15.59 O +ATOM 876 CB THR A 195 -19.701 -9.439 10.176 1.00 15.36 C +ATOM 877 CG2 THR A 195 -19.832 -8.994 8.725 1.00 17.00 C +ATOM 878 OG1 THR A 195 -18.605 -8.743 10.789 1.00 18.77 O +ATOM 879 H THR A 195 -20.094 -10.173 12.570 1.00 0.00 H +ATOM 880 HA THR A 195 -21.152 -8.067 10.996 1.00 0.00 H +ATOM 881 HB THR A 195 -19.502 -10.510 10.203 1.00 0.00 H +ATOM 882 HG1 THR A 195 -17.798 -8.924 10.302 1.00 0.00 H +ATOM 883 HG21 THR A 195 -18.905 -9.208 8.194 1.00 0.00 H +ATOM 884 HG22 THR A 195 -20.654 -9.532 8.252 1.00 0.00 H +ATOM 885 HG23 THR A 195 -20.032 -7.923 8.689 1.00 0.00 H +ATOM 886 N LEU A 196 -22.406 -11.072 10.465 1.00 14.92 N +ATOM 887 CA LEU A 196 -23.535 -11.793 9.898 1.00 13.82 C +ATOM 888 C LEU A 196 -24.866 -11.364 10.492 1.00 14.32 C +ATOM 889 O LEU A 196 -25.846 -11.233 9.761 1.00 16.33 O +ATOM 890 CB LEU A 196 -23.324 -13.308 10.024 1.00 16.74 C +ATOM 891 CG LEU A 196 -22.066 -13.842 9.328 1.00 19.62 C +ATOM 892 CD1 LEU A 196 -21.994 -15.348 9.381 1.00 22.05 C +ATOM 893 CD2 LEU A 196 -21.948 -13.372 7.883 1.00 24.27 C +ATOM 894 H LEU A 196 -21.747 -11.598 11.021 1.00 0.00 H +ATOM 895 HA LEU A 196 -23.566 -11.559 8.834 1.00 0.00 H +ATOM 896 HB2 LEU A 196 -23.297 -13.582 11.079 1.00 0.00 H +ATOM 897 HB3 LEU A 196 -24.200 -13.828 9.635 1.00 0.00 H +ATOM 898 HG LEU A 196 -21.203 -13.454 9.869 1.00 0.00 H +ATOM 899 HD11 LEU A 196 -21.089 -15.687 8.877 1.00 0.00 H +ATOM 900 HD12 LEU A 196 -21.975 -15.675 10.421 1.00 0.00 H +ATOM 901 HD13 LEU A 196 -22.866 -15.772 8.883 1.00 0.00 H +ATOM 902 HD21 LEU A 196 -21.039 -13.780 7.441 1.00 0.00 H +ATOM 903 HD22 LEU A 196 -22.814 -13.716 7.317 1.00 0.00 H +ATOM 904 HD23 LEU A 196 -21.907 -12.283 7.857 1.00 0.00 H +ATOM 905 N THR A 197 -24.873 -11.088 11.795 1.00 14.50 N +ATOM 906 CA THR A 197 -26.060 -10.540 12.452 1.00 15.24 C +ATOM 907 C THR A 197 -26.461 -9.180 11.874 1.00 10.88 C +ATOM 908 O THR A 197 -27.627 -8.965 11.569 1.00 12.14 O +ATOM 909 CB THR A 197 -25.848 -10.427 13.964 1.00 13.69 C +ATOM 910 CG2 THR A 197 -27.045 -9.763 14.653 1.00 17.98 C +ATOM 911 OG1 THR A 197 -25.619 -11.737 14.503 1.00 18.81 O +ATOM 912 H THR A 197 -24.047 -11.257 12.351 1.00 0.00 H +ATOM 913 HA THR A 197 -26.885 -11.232 12.281 1.00 0.00 H +ATOM 914 HB THR A 197 -24.962 -9.818 14.145 1.00 0.00 H +ATOM 915 HG1 THR A 197 -25.485 -11.674 15.452 1.00 0.00 H +ATOM 916 HG21 THR A 197 -26.859 -9.700 15.725 1.00 0.00 H +ATOM 917 HG22 THR A 197 -27.187 -8.760 14.250 1.00 0.00 H +ATOM 918 HG23 THR A 197 -27.942 -10.356 14.475 1.00 0.00 H +ATOM 919 N GLU A 198 -25.502 -8.282 11.694 1.00 13.07 N +ATOM 920 CA GLU A 198 -25.822 -6.976 11.108 1.00 12.73 C +ATOM 921 C GLU A 198 -26.459 -7.154 9.723 1.00 12.03 C +ATOM 922 O GLU A 198 -27.465 -6.514 9.387 1.00 11.03 O +ATOM 923 CB GLU A 198 -24.597 -6.069 11.011 1.00 14.57 C +ATOM 924 CG GLU A 198 -24.864 -4.860 10.096 1.00 18.69 C +ATOM 925 CD GLU A 198 -23.951 -3.702 10.292 1.00 21.74 C +ATOM 926 OE1 GLU A 198 -22.758 -3.832 9.960 1.00 29.52 O +ATOM 927 OE2 GLU A 198 -24.436 -2.638 10.722 1.00 20.66 O1- +ATOM 928 H GLU A 198 -24.552 -8.498 11.960 1.00 0.00 H +ATOM 929 HA GLU A 198 -26.552 -6.487 11.754 1.00 0.00 H +ATOM 930 HB2 GLU A 198 -24.326 -5.718 12.007 1.00 0.00 H +ATOM 931 HB3 GLU A 198 -23.753 -6.639 10.622 1.00 0.00 H +ATOM 932 HG2 GLU A 198 -24.822 -5.180 9.055 1.00 0.00 H +ATOM 933 HG3 GLU A 198 -25.895 -4.532 10.225 1.00 0.00 H +ATOM 934 N ASN A 199 -25.890 -8.027 8.921 1.00 11.98 N +ATOM 935 CA ASN A 199 -26.387 -8.280 7.577 1.00 13.03 C +ATOM 936 C ASN A 199 -27.842 -8.726 7.610 1.00 13.03 C +ATOM 937 O ASN A 199 -28.684 -8.151 6.901 1.00 11.67 O +ATOM 938 CB ASN A 199 -25.501 -9.310 6.877 1.00 14.44 C +ATOM 939 CG ASN A 199 -25.818 -9.463 5.397 1.00 14.21 C +ATOM 940 ND2 ASN A 199 -25.802 -10.707 4.921 1.00 19.55 N +ATOM 941 OD1 ASN A 199 -26.027 -8.486 4.682 1.00 17.52 O +ATOM 942 H ASN A 199 -25.082 -8.547 9.232 1.00 0.00 H +ATOM 943 HA ASN A 199 -26.331 -7.348 7.015 1.00 0.00 H +ATOM 944 HB2 ASN A 199 -24.455 -9.028 6.996 1.00 0.00 H +ATOM 945 HB3 ASN A 199 -25.608 -10.275 7.372 1.00 0.00 H +ATOM 946 HD21 ASN A 199 -25.588 -11.480 5.535 1.00 0.00 H +ATOM 947 HD22 ASN A 199 -26.004 -10.877 3.946 1.00 0.00 H +ATOM 948 N ARG A 200 -28.164 -9.710 8.463 1.00 13.25 N +ATOM 949 CA ARG A 200 -29.543 -10.203 8.581 1.00 13.80 C +ATOM 950 C ARG A 200 -30.513 -9.134 9.090 1.00 13.11 C +ATOM 951 O ARG A 200 -31.581 -8.931 8.525 1.00 13.34 O +ATOM 952 CB ARG A 200 -29.584 -11.423 9.520 1.00 16.56 C +ATOM 953 CG ARG A 200 -28.932 -12.665 8.948 1.00 17.08 C +ATOM 954 CD ARG A 200 -29.319 -13.891 9.753 1.00 20.77 C +ATOM 955 NE ARG A 200 -28.895 -13.747 11.137 1.00 17.95 N +ATOM 956 CZ ARG A 200 -27.699 -14.085 11.614 1.00 20.78 C +ATOM 957 NH1 ARG A 200 -26.774 -14.593 10.819 1.00 29.34 N1+ +ATOM 958 NH2 ARG A 200 -27.413 -13.881 12.900 1.00 24.27 N1+ +ATOM 959 H ARG A 200 -27.451 -10.129 9.043 1.00 0.00 H +ATOM 960 HA ARG A 200 -29.876 -10.522 7.593 1.00 0.00 H +ATOM 961 HB2 ARG A 200 -29.106 -11.167 10.466 1.00 0.00 H +ATOM 962 HB3 ARG A 200 -30.619 -11.645 9.779 1.00 0.00 H +ATOM 963 HG2 ARG A 200 -29.247 -12.796 7.913 1.00 0.00 H +ATOM 964 HG3 ARG A 200 -27.849 -12.547 8.965 1.00 0.00 H +ATOM 965 HD2 ARG A 200 -30.400 -14.023 9.716 1.00 0.00 H +ATOM 966 HD3 ARG A 200 -28.849 -14.773 9.319 1.00 0.00 H +ATOM 967 HE ARG A 200 -29.592 -13.356 11.754 1.00 0.00 H +ATOM 968 HH11 ARG A 200 -26.971 -14.729 9.838 1.00 0.00 H +ATOM 969 HH12 ARG A 200 -25.870 -14.846 11.193 1.00 0.00 H +ATOM 970 HH21 ARG A 200 -28.104 -13.470 13.512 1.00 0.00 H +ATOM 971 HH22 ARG A 200 -26.506 -14.137 13.262 1.00 0.00 H +ATOM 972 N VAL A 201 -30.098 -8.407 10.121 1.00 12.63 N +ATOM 973 CA VAL A 201 -30.951 -7.421 10.766 1.00 11.04 C +ATOM 974 C VAL A 201 -31.270 -6.307 9.770 1.00 12.76 C +ATOM 975 O VAL A 201 -32.424 -5.892 9.679 1.00 12.13 O +ATOM 976 CB VAL A 201 -30.353 -6.905 12.100 1.00 11.07 C +ATOM 977 CG1 VAL A 201 -31.084 -5.681 12.595 1.00 12.60 C +ATOM 978 CG2 VAL A 201 -30.406 -8.028 13.166 1.00 14.25 C +ATOM 979 H VAL A 201 -29.163 -8.530 10.482 1.00 0.00 H +ATOM 980 HA VAL A 201 -31.892 -7.917 11.006 1.00 0.00 H +ATOM 981 HB VAL A 201 -29.310 -6.639 11.931 1.00 0.00 H +ATOM 982 HG11 VAL A 201 -30.639 -5.346 13.532 1.00 0.00 H +ATOM 983 HG12 VAL A 201 -31.008 -4.887 11.852 1.00 0.00 H +ATOM 984 HG13 VAL A 201 -32.134 -5.925 12.759 1.00 0.00 H +ATOM 985 HG21 VAL A 201 -29.985 -7.661 14.102 1.00 0.00 H +ATOM 986 HG22 VAL A 201 -31.441 -8.328 13.327 1.00 0.00 H +ATOM 987 HG23 VAL A 201 -29.829 -8.886 12.820 1.00 0.00 H +ATOM 988 N LEU A 202 -30.259 -5.826 9.045 1.00 12.41 N +ATOM 989 CA LEU A 202 -30.468 -4.810 8.004 1.00 13.04 C +ATOM 990 C LEU A 202 -31.427 -5.316 6.932 1.00 14.60 C +ATOM 991 O LEU A 202 -32.359 -4.628 6.538 1.00 13.86 O +ATOM 992 CB LEU A 202 -29.125 -4.398 7.377 1.00 11.42 C +ATOM 993 CG LEU A 202 -28.264 -3.444 8.204 1.00 12.61 C +ATOM 994 CD1 LEU A 202 -26.852 -3.310 7.656 1.00 17.55 C +ATOM 995 CD2 LEU A 202 -28.970 -2.081 8.330 1.00 16.52 C +ATOM 996 H LEU A 202 -29.319 -6.160 9.205 1.00 0.00 H +ATOM 997 HA LEU A 202 -30.911 -3.930 8.470 1.00 0.00 H +ATOM 998 HB2 LEU A 202 -28.548 -5.293 7.144 1.00 0.00 H +ATOM 999 HB3 LEU A 202 -29.306 -3.960 6.395 1.00 0.00 H +ATOM 1000 HG LEU A 202 -28.185 -3.863 9.207 1.00 0.00 H +ATOM 1001 HD11 LEU A 202 -26.283 -2.621 8.280 1.00 0.00 H +ATOM 1002 HD12 LEU A 202 -26.367 -4.286 7.658 1.00 0.00 H +ATOM 1003 HD13 LEU A 202 -26.892 -2.927 6.636 1.00 0.00 H +ATOM 1004 HD21 LEU A 202 -28.352 -1.404 8.920 1.00 0.00 H +ATOM 1005 HD22 LEU A 202 -29.125 -1.658 7.337 1.00 0.00 H +ATOM 1006 HD23 LEU A 202 -29.934 -2.214 8.822 1.00 0.00 H +ATOM 1007 N GLN A 203 -31.215 -6.543 6.478 1.00 15.22 N +ATOM 1008 CA GLN A 203 -32.052 -7.107 5.412 1.00 14.48 C +ATOM 1009 C GLN A 203 -33.522 -7.289 5.835 1.00 16.05 C +ATOM 1010 O GLN A 203 -34.429 -7.147 5.023 1.00 16.76 O +ATOM 1011 CB GLN A 203 -31.450 -8.425 4.900 1.00 12.98 C +ATOM 1012 CG GLN A 203 -30.274 -8.216 3.979 1.00 12.25 C +ATOM 1013 CD GLN A 203 -29.724 -9.502 3.412 1.00 13.94 C +ATOM 1014 NE2 GLN A 203 -28.397 -9.572 3.264 1.00 13.11 N +ATOM 1015 OE1 GLN A 203 -30.465 -10.402 3.073 1.00 16.94 O +ATOM 1016 H GLN A 203 -30.469 -7.103 6.866 1.00 0.00 H +ATOM 1017 HA GLN A 203 -32.039 -6.401 4.582 1.00 0.00 H +ATOM 1018 HB2 GLN A 203 -31.141 -9.036 5.748 1.00 0.00 H +ATOM 1019 HB3 GLN A 203 -32.219 -8.997 4.381 1.00 0.00 H +ATOM 1020 HG2 GLN A 203 -30.567 -7.556 3.162 1.00 0.00 H +ATOM 1021 HG3 GLN A 203 -29.484 -7.690 4.515 1.00 0.00 H +ATOM 1022 HE21 GLN A 203 -27.817 -8.788 3.527 1.00 0.00 H +ATOM 1023 HE22 GLN A 203 -27.974 -10.409 2.889 1.00 0.00 H +ATOM 1024 N ASN A 204 -33.743 -7.589 7.112 1.00 11.55 N +ATOM 1025 CA ASN A 204 -35.061 -7.935 7.663 1.00 14.14 C +ATOM 1026 C ASN A 204 -35.854 -6.731 8.207 1.00 14.21 C +ATOM 1027 O ASN A 204 -37.033 -6.868 8.523 1.00 18.78 O +ATOM 1028 CB ASN A 204 -34.901 -9.008 8.761 1.00 15.31 C +ATOM 1029 CG ASN A 204 -36.145 -9.854 8.973 1.00 20.28 C +ATOM 1030 ND2 ASN A 204 -36.712 -10.330 7.890 1.00 17.55 N +ATOM 1031 OD1 ASN A 204 -36.567 -10.114 10.109 1.00 23.03 O +ATOM 1032 H ASN A 204 -32.977 -7.588 7.771 1.00 0.00 H +ATOM 1033 HA ASN A 204 -35.647 -8.376 6.857 1.00 0.00 H +ATOM 1034 HB2 ASN A 204 -34.061 -9.656 8.513 1.00 0.00 H +ATOM 1035 HB3 ASN A 204 -34.627 -8.527 9.700 1.00 0.00 H +ATOM 1036 HD21 ASN A 204 -36.318 -10.126 6.983 1.00 0.00 H +ATOM 1037 HD22 ASN A 204 -37.543 -10.900 7.964 1.00 0.00 H +ATOM 1038 N SER A 205 -35.222 -5.556 8.259 0.50 11.30 N +ATOM 1039 CA SER A 205 -35.806 -4.372 8.911 0.50 13.16 C +ATOM 1040 C SER A 205 -36.143 -3.242 7.946 0.50 13.84 C +ATOM 1041 O SER A 205 -35.428 -3.010 6.966 0.50 13.67 O +ATOM 1042 CB SER A 205 -34.852 -3.833 9.989 0.50 9.67 C +ATOM 1043 OG SER A 205 -33.579 -3.446 9.473 0.50 7.09 O +ATOM 1044 H SER A 205 -34.308 -5.455 7.841 0.50 0.00 H +ATOM 1045 HA SER A 205 -36.729 -4.680 9.403 0.50 0.00 H +ATOM 1046 HB2 SER A 205 -35.314 -2.981 10.488 0.50 0.00 H +ATOM 1047 HB3 SER A 205 -34.715 -4.589 10.762 0.50 0.00 H +ATOM 1048 HG SER A 205 -33.029 -3.119 10.189 0.50 0.00 H +ATOM 1049 N ARG A 206 -37.226 -2.539 8.246 1.00 16.49 N +ATOM 1050 CA ARG A 206 -37.666 -1.400 7.457 1.00 16.96 C +ATOM 1051 C ARG A 206 -38.350 -0.457 8.429 1.00 15.92 C +ATOM 1052 O ARG A 206 -39.433 -0.746 8.922 1.00 17.18 O +ATOM 1053 CB ARG A 206 -38.621 -1.851 6.338 1.00 18.23 C +ATOM 1054 CG ARG A 206 -38.612 -0.980 5.080 1.00 29.22 C +ATOM 1055 CD ARG A 206 -39.754 0.012 5.013 0.50 33.89 C +ATOM 1056 NE ARG A 206 -39.368 1.328 5.520 0.50 35.50 N +ATOM 1057 CZ ARG A 206 -40.086 2.076 6.355 0.50 34.32 C +ATOM 1058 NH1 ARG A 206 -41.274 1.671 6.801 0.50 32.47 N1+ +ATOM 1059 NH2 ARG A 206 -39.614 3.255 6.733 0.50 31.53 N1+ +ATOM 1060 H ARG A 206 -37.783 -2.788 9.051 1.00 0.00 H +ATOM 1061 HA ARG A 206 -36.800 -0.905 7.018 1.00 0.00 H +ATOM 1062 HB2 ARG A 206 -38.394 -2.881 6.064 1.00 0.00 H +ATOM 1063 HB3 ARG A 206 -39.636 -1.906 6.731 1.00 0.00 H +ATOM 1064 HG2 ARG A 206 -37.664 -0.445 5.017 1.00 0.00 H +ATOM 1065 HG3 ARG A 206 -38.636 -1.619 4.198 1.00 0.00 H +ATOM 1066 HD2 ARG A 206 -40.092 0.106 3.981 1.00 0.00 H +ATOM 1067 HD3 ARG A 206 -40.597 -0.366 5.591 1.00 0.00 H +ATOM 1068 HE ARG A 206 -38.475 1.661 5.184 1.00 0.00 H +ATOM 1069 HH11 ARG A 206 -41.647 0.780 6.506 1.00 0.00 H +ATOM 1070 HH12 ARG A 206 -41.802 2.255 7.434 1.00 0.00 H +ATOM 1071 HH21 ARG A 206 -38.720 3.575 6.388 1.00 0.00 H +ATOM 1072 HH22 ARG A 206 -40.148 3.833 7.366 1.00 0.00 H +ATOM 1073 N HID A 207 -37.685 0.645 8.763 1.00 12.63 N +ATOM 1074 CA HID A 207 -38.237 1.622 9.699 1.00 10.75 C +ATOM 1075 C HID A 207 -37.654 3.002 9.397 1.00 9.20 C +ATOM 1076 O HID A 207 -36.472 3.090 9.048 1.00 10.34 O +ATOM 1077 CB HID A 207 -37.884 1.202 11.138 1.00 11.00 C +ATOM 1078 CG HID A 207 -38.575 1.988 12.199 1.00 11.00 C +ATOM 1079 CD2 HID A 207 -39.729 1.759 12.870 1.00 14.44 C +ATOM 1080 ND1 HID A 207 -38.110 3.205 12.639 1.00 8.08 N +ATOM 1081 CE1 HID A 207 -38.928 3.669 13.572 1.00 11.39 C +ATOM 1082 NE2 HID A 207 -39.937 2.824 13.704 1.00 12.43 N +ATOM 1083 H HID A 207 -36.773 0.824 8.367 1.00 0.00 H +ATOM 1084 HA HID A 207 -39.321 1.656 9.588 1.00 0.00 H +ATOM 1085 HB2 HID A 207 -38.107 0.143 11.270 1.00 0.00 H +ATOM 1086 HB3 HID A 207 -36.806 1.273 11.281 1.00 0.00 H +ATOM 1087 HD1 HID A 207 -37.266 3.595 12.246 1.00 0.00 H +ATOM 1088 HD2 HID A 207 -40.291 0.855 12.686 1.00 0.00 H +ATOM 1089 HE1 HID A 207 -38.702 4.598 14.074 1.00 0.00 H +ATOM 1090 N PRO A 208 -38.429 4.077 9.581 1.00 10.24 N +ATOM 1091 CA PRO A 208 -37.987 5.456 9.327 1.00 11.94 C +ATOM 1092 C PRO A 208 -36.649 5.849 9.969 1.00 11.06 C +ATOM 1093 O PRO A 208 -35.872 6.644 9.389 1.00 13.09 O +ATOM 1094 CB PRO A 208 -39.146 6.312 9.863 1.00 14.51 C +ATOM 1095 CG PRO A 208 -40.310 5.433 9.869 1.00 19.32 C +ATOM 1096 CD PRO A 208 -39.827 4.041 10.054 1.00 11.96 C +ATOM 1097 HA PRO A 208 -37.913 5.605 8.250 1.00 0.00 H +ATOM 1098 HB2 PRO A 208 -38.923 6.624 10.883 1.00 0.00 H +ATOM 1099 HB3 PRO A 208 -39.325 7.145 9.183 1.00 0.00 H +ATOM 1100 HG2 PRO A 208 -40.964 5.703 10.698 1.00 0.00 H +ATOM 1101 HG3 PRO A 208 -40.830 5.513 8.914 1.00 0.00 H +ATOM 1102 HD2 PRO A 208 -39.843 3.792 11.115 1.00 0.00 H +ATOM 1103 HD3 PRO A 208 -40.406 3.371 9.418 1.00 0.00 H +ATOM 1104 N PHE A 209 -36.395 5.332 11.170 1.00 10.57 N +ATOM 1105 CA PHE A 209 -35.207 5.732 11.951 1.00 10.22 C +ATOM 1106 C PHE A 209 -34.094 4.672 12.033 1.00 11.58 C +ATOM 1107 O PHE A 209 -33.178 4.804 12.830 1.00 12.44 O +ATOM 1108 CB PHE A 209 -35.658 6.230 13.328 1.00 9.55 C +ATOM 1109 CG PHE A 209 -36.748 7.248 13.241 1.00 13.24 C +ATOM 1110 CD1 PHE A 209 -36.605 8.344 12.415 1.00 11.46 C +ATOM 1111 CD2 PHE A 209 -37.942 7.078 13.913 1.00 9.21 C +ATOM 1112 CE1 PHE A 209 -37.622 9.287 12.272 1.00 13.02 C +ATOM 1113 CE2 PHE A 209 -38.955 8.009 13.786 1.00 12.18 C +ATOM 1114 CZ PHE A 209 -38.798 9.103 12.949 1.00 12.15 C +ATOM 1115 H PHE A 209 -37.022 4.648 11.568 1.00 0.00 H +ATOM 1116 HA PHE A 209 -34.776 6.592 11.438 1.00 0.00 H +ATOM 1117 HB2 PHE A 209 -35.999 5.384 13.925 1.00 0.00 H +ATOM 1118 HB3 PHE A 209 -34.805 6.657 13.856 1.00 0.00 H +ATOM 1119 HD1 PHE A 209 -35.689 8.487 11.861 1.00 0.00 H +ATOM 1120 HD2 PHE A 209 -38.089 6.213 14.543 1.00 0.00 H +ATOM 1121 HE1 PHE A 209 -37.476 10.147 11.635 1.00 0.00 H +ATOM 1122 HE2 PHE A 209 -39.874 7.886 14.340 1.00 0.00 H +ATOM 1123 HZ PHE A 209 -39.605 9.811 12.831 1.00 0.00 H +ATOM 1124 N LEU A 210 -34.200 3.629 11.216 1.00 10.68 N +ATOM 1125 CA LEU A 210 -33.123 2.649 11.027 1.00 10.48 C +ATOM 1126 C LEU A 210 -32.499 2.828 9.655 1.00 12.09 C +ATOM 1127 O LEU A 210 -33.196 2.966 8.658 1.00 11.26 O +ATOM 1128 CB LEU A 210 -33.640 1.221 11.137 1.00 11.18 C +ATOM 1129 CG LEU A 210 -34.286 0.845 12.467 1.00 6.48 C +ATOM 1130 CD1 LEU A 210 -34.780 -0.553 12.364 1.00 10.28 C +ATOM 1131 CD2 LEU A 210 -33.377 1.038 13.674 1.00 12.95 C +ATOM 1132 H LEU A 210 -35.050 3.483 10.691 1.00 0.00 H +ATOM 1133 HA LEU A 210 -32.359 2.810 11.788 1.00 0.00 H +ATOM 1134 HB2 LEU A 210 -34.345 1.031 10.328 1.00 0.00 H +ATOM 1135 HB3 LEU A 210 -32.827 0.527 10.923 1.00 0.00 H +ATOM 1136 HG LEU A 210 -35.154 1.490 12.604 1.00 0.00 H +ATOM 1137 HD11 LEU A 210 -35.247 -0.844 13.305 1.00 0.00 H +ATOM 1138 HD12 LEU A 210 -35.512 -0.622 11.559 1.00 0.00 H +ATOM 1139 HD13 LEU A 210 -33.944 -1.220 12.152 1.00 0.00 H +ATOM 1140 HD21 LEU A 210 -33.909 0.749 14.580 1.00 0.00 H +ATOM 1141 HD22 LEU A 210 -32.487 0.418 13.562 1.00 0.00 H +ATOM 1142 HD23 LEU A 210 -33.083 2.085 13.744 1.00 0.00 H +ATOM 1143 N THR A 211 -31.167 2.826 9.615 1.00 11.46 N +ATOM 1144 CA THR A 211 -30.416 2.840 8.366 1.00 9.79 C +ATOM 1145 C THR A 211 -30.917 1.735 7.417 1.00 9.60 C +ATOM 1146 O THR A 211 -31.005 0.570 7.808 1.00 14.28 O +ATOM 1147 CB THR A 211 -28.889 2.699 8.627 1.00 14.14 C +ATOM 1148 CG2 THR A 211 -28.127 2.661 7.315 1.00 18.41 C +ATOM 1149 OG1 THR A 211 -28.449 3.835 9.366 1.00 16.81 O +ATOM 1150 H THR A 211 -30.636 2.814 10.474 1.00 0.00 H +ATOM 1151 HA THR A 211 -30.587 3.802 7.882 1.00 0.00 H +ATOM 1152 HB THR A 211 -28.693 1.790 9.195 1.00 0.00 H +ATOM 1153 HG1 THR A 211 -27.507 3.762 9.535 1.00 0.00 H +ATOM 1154 HG21 THR A 211 -27.060 2.562 7.516 1.00 0.00 H +ATOM 1155 HG22 THR A 211 -28.465 1.811 6.723 1.00 0.00 H +ATOM 1156 HG23 THR A 211 -28.308 3.583 6.762 1.00 0.00 H +ATOM 1157 N ALA A 212 -31.197 2.114 6.173 1.00 12.19 N +ATOM 1158 CA ALA A 212 -31.585 1.147 5.137 1.00 13.10 C +ATOM 1159 C ALA A 212 -30.404 0.593 4.326 1.00 12.58 C +ATOM 1160 O ALA A 212 -29.457 1.318 3.974 1.00 10.91 O +ATOM 1161 CB ALA A 212 -32.608 1.761 4.212 1.00 15.50 C +ATOM 1162 H ALA A 212 -31.146 3.090 5.919 1.00 0.00 H +ATOM 1163 HA ALA A 212 -32.061 0.304 5.638 1.00 0.00 H +ATOM 1164 HB1 ALA A 212 -32.889 1.036 3.448 1.00 0.00 H +ATOM 1165 HB2 ALA A 212 -33.491 2.046 4.784 1.00 0.00 H +ATOM 1166 HB3 ALA A 212 -32.184 2.645 3.735 1.00 0.00 H +ATOM 1167 N LEU A 213 -30.446 -0.699 4.074 1.00 12.08 N +ATOM 1168 CA LEU A 213 -29.430 -1.377 3.269 1.00 11.52 C +ATOM 1169 C LEU A 213 -29.898 -1.470 1.819 1.00 12.49 C +ATOM 1170 O LEU A 213 -30.991 -1.976 1.553 1.00 13.42 O +ATOM 1171 CB LEU A 213 -29.175 -2.791 3.802 1.00 9.88 C +ATOM 1172 CG LEU A 213 -28.121 -3.615 3.083 1.00 10.91 C +ATOM 1173 CD1 LEU A 213 -26.699 -3.076 3.308 1.00 12.54 C +ATOM 1174 CD2 LEU A 213 -28.254 -5.079 3.549 1.00 14.87 C +ATOM 1175 H LEU A 213 -31.200 -1.261 4.442 1.00 0.00 H +ATOM 1176 HA LEU A 213 -28.502 -0.807 3.310 1.00 0.00 H +ATOM 1177 HB2 LEU A 213 -28.925 -2.735 4.862 1.00 0.00 H +ATOM 1178 HB3 LEU A 213 -30.114 -3.344 3.816 1.00 0.00 H +ATOM 1179 HG LEU A 213 -28.333 -3.579 2.014 1.00 0.00 H +ATOM 1180 HD11 LEU A 213 -25.984 -3.701 2.773 1.00 0.00 H +ATOM 1181 HD12 LEU A 213 -26.635 -2.053 2.938 1.00 0.00 H +ATOM 1182 HD13 LEU A 213 -26.468 -3.092 4.373 1.00 0.00 H +ATOM 1183 HD21 LEU A 213 -27.506 -5.691 3.045 1.00 0.00 H +ATOM 1184 HD22 LEU A 213 -28.101 -5.133 4.627 1.00 0.00 H +ATOM 1185 HD23 LEU A 213 -29.250 -5.449 3.305 1.00 0.00 H +ATOM 1186 N LYS A 214 -29.090 -0.976 0.903 1.00 10.28 N +ATOM 1187 CA LYS A 214 -29.354 -1.064 -0.539 1.00 10.72 C +ATOM 1188 C LYS A 214 -28.756 -2.337 -1.149 1.00 11.10 C +ATOM 1189 O LYS A 214 -29.452 -3.095 -1.830 1.00 13.68 O +ATOM 1190 CB LYS A 214 -28.850 0.200 -1.237 1.00 10.30 C +ATOM 1191 CG LYS A 214 -28.981 0.210 -2.742 1.00 13.64 C +ATOM 1192 CD LYS A 214 -30.424 0.205 -3.192 1.00 19.22 C +ATOM 1193 CE LYS A 214 -30.498 0.377 -4.720 1.00 23.07 C +ATOM 1194 NZ LYS A 214 -31.902 0.475 -5.162 1.00 30.16 N1+ +ATOM 1195 H LYS A 214 -28.239 -0.508 1.180 1.00 0.00 H +ATOM 1196 HA LYS A 214 -30.435 -1.108 -0.675 1.00 0.00 H +ATOM 1197 HB2 LYS A 214 -29.364 1.068 -0.825 1.00 0.00 H +ATOM 1198 HB3 LYS A 214 -27.808 0.370 -0.965 1.00 0.00 H +ATOM 1199 HG2 LYS A 214 -28.479 1.090 -3.144 1.00 0.00 H +ATOM 1200 HG3 LYS A 214 -28.469 -0.659 -3.156 1.00 0.00 H +ATOM 1201 HD2 LYS A 214 -30.889 -0.740 -2.910 1.00 0.00 H +ATOM 1202 HD3 LYS A 214 -30.958 1.023 -2.708 1.00 0.00 H +ATOM 1203 HE2 LYS A 214 -29.962 1.281 -5.010 1.00 0.00 H +ATOM 1204 HE3 LYS A 214 -30.024 -0.476 -5.205 1.00 0.00 H +ATOM 1205 HZ1 LYS A 214 -31.933 0.587 -6.165 1.00 0.00 H +ATOM 1206 HZ2 LYS A 214 -32.397 -0.367 -4.903 1.00 0.00 H +ATOM 1207 HZ3 LYS A 214 -32.339 1.271 -4.721 1.00 0.00 H +ATOM 1208 N TYR A 215 -27.475 -2.581 -0.913 1.00 12.17 N +ATOM 1209 CA TYR A 215 -26.781 -3.778 -1.394 1.00 12.56 C +ATOM 1210 C TYR A 215 -25.884 -4.369 -0.320 1.00 13.13 C +ATOM 1211 O TYR A 215 -25.289 -3.634 0.477 1.00 12.22 O +ATOM 1212 CB TYR A 215 -25.848 -3.457 -2.575 1.00 12.82 C +ATOM 1213 CG TYR A 215 -26.423 -2.700 -3.741 1.00 12.46 C +ATOM 1214 CD1 TYR A 215 -27.408 -3.257 -4.544 1.00 13.36 C +ATOM 1215 CD2 TYR A 215 -25.937 -1.433 -4.078 1.00 13.82 C +ATOM 1216 CE1 TYR A 215 -27.913 -2.561 -5.623 1.00 16.18 C +ATOM 1217 CE2 TYR A 215 -26.442 -0.734 -5.161 1.00 13.95 C +ATOM 1218 CZ TYR A 215 -27.410 -1.307 -5.927 1.00 17.11 C +ATOM 1219 OH TYR A 215 -27.910 -0.624 -7.002 1.00 17.45 O +ATOM 1220 H TYR A 215 -26.926 -1.924 -0.377 1.00 0.00 H +ATOM 1221 HA TYR A 215 -27.515 -4.522 -1.704 1.00 0.00 H +ATOM 1222 HB2 TYR A 215 -24.970 -2.928 -2.203 1.00 0.00 H +ATOM 1223 HB3 TYR A 215 -25.398 -4.382 -2.936 1.00 0.00 H +ATOM 1224 HD1 TYR A 215 -27.787 -4.245 -4.327 1.00 0.00 H +ATOM 1225 HD2 TYR A 215 -25.153 -0.981 -3.489 1.00 0.00 H +ATOM 1226 HE1 TYR A 215 -28.697 -2.994 -6.226 1.00 0.00 H +ATOM 1227 HE2 TYR A 215 -26.068 0.253 -5.389 1.00 0.00 H +ATOM 1228 HH TYR A 215 -27.463 0.222 -7.080 1.00 0.00 H +ATOM 1229 N SER A 216 -25.780 -5.695 -0.305 1.00 10.39 N +ATOM 1230 CA SER A 216 -24.659 -6.329 0.366 1.00 10.71 C +ATOM 1231 C SER A 216 -24.086 -7.365 -0.565 1.00 13.42 C +ATOM 1232 O SER A 216 -24.810 -8.113 -1.190 1.00 12.94 O +ATOM 1233 CB SER A 216 -24.998 -6.899 1.749 1.00 15.60 C +ATOM 1234 OG SER A 216 -25.833 -8.008 1.672 1.00 20.43 O +ATOM 1235 H SER A 216 -26.481 -6.262 -0.761 1.00 0.00 H +ATOM 1236 HA SER A 216 -23.895 -5.565 0.510 1.00 0.00 H +ATOM 1237 HB2 SER A 216 -24.077 -7.174 2.263 1.00 0.00 H +ATOM 1238 HB3 SER A 216 -25.476 -6.127 2.352 1.00 0.00 H +ATOM 1239 HG SER A 216 -26.019 -8.331 2.557 1.00 0.00 H +ATOM 1240 N PHE A 217 -22.770 -7.373 -0.688 1.00 12.57 N +ATOM 1241 CA PHE A 217 -22.095 -8.310 -1.544 1.00 12.18 C +ATOM 1242 C PHE A 217 -20.663 -8.568 -1.061 1.00 13.96 C +ATOM 1243 O PHE A 217 -20.192 -7.939 -0.120 1.00 12.86 O +ATOM 1244 CB PHE A 217 -22.165 -7.803 -3.003 1.00 13.02 C +ATOM 1245 CG PHE A 217 -21.446 -6.482 -3.239 1.00 13.05 C +ATOM 1246 CD1 PHE A 217 -20.074 -6.462 -3.507 1.00 15.60 C +ATOM 1247 CD2 PHE A 217 -22.131 -5.282 -3.235 1.00 18.47 C +ATOM 1248 CE1 PHE A 217 -19.394 -5.270 -3.726 1.00 17.62 C +ATOM 1249 CE2 PHE A 217 -21.451 -4.077 -3.450 1.00 17.80 C +ATOM 1250 CZ PHE A 217 -20.075 -4.077 -3.699 1.00 17.92 C +ATOM 1251 H PHE A 217 -22.211 -6.709 -0.173 1.00 0.00 H +ATOM 1252 HA PHE A 217 -22.637 -9.254 -1.495 1.00 0.00 H +ATOM 1253 HB2 PHE A 217 -21.755 -8.562 -3.669 1.00 0.00 H +ATOM 1254 HB3 PHE A 217 -23.209 -7.705 -3.302 1.00 0.00 H +ATOM 1255 HD1 PHE A 217 -19.518 -7.387 -3.548 1.00 0.00 H +ATOM 1256 HD2 PHE A 217 -23.198 -5.270 -3.065 1.00 0.00 H +ATOM 1257 HE1 PHE A 217 -18.331 -5.282 -3.917 1.00 0.00 H +ATOM 1258 HE2 PHE A 217 -21.989 -3.141 -3.424 1.00 0.00 H +ATOM 1259 HZ PHE A 217 -19.547 -3.150 -3.869 1.00 0.00 H +ATOM 1260 N GLN A 218 -19.981 -9.527 -1.683 1.00 14.78 N +ATOM 1261 CA GLN A 218 -18.623 -9.863 -1.247 1.00 15.97 C +ATOM 1262 C GLN A 218 -17.684 -10.078 -2.424 1.00 18.44 C +ATOM 1263 O GLN A 218 -18.107 -10.345 -3.544 1.00 18.54 O +ATOM 1264 CB GLN A 218 -18.635 -11.088 -0.330 1.00 16.88 C +ATOM 1265 CG GLN A 218 -18.933 -12.369 -1.064 1.00 18.99 C +ATOM 1266 CD GLN A 218 -19.235 -13.515 -0.149 1.00 17.30 C +ATOM 1267 NE2 GLN A 218 -20.372 -14.141 -0.383 1.00 19.84 N +ATOM 1268 OE1 GLN A 218 -18.481 -13.832 0.776 1.00 16.32 O +ATOM 1269 H GLN A 218 -20.399 -10.024 -2.456 1.00 0.00 H +ATOM 1270 HA GLN A 218 -18.243 -9.021 -0.669 1.00 0.00 H +ATOM 1271 HB2 GLN A 218 -17.671 -11.174 0.172 1.00 0.00 H +ATOM 1272 HB3 GLN A 218 -19.373 -10.943 0.459 1.00 0.00 H +ATOM 1273 HG2 GLN A 218 -19.775 -12.212 -1.738 1.00 0.00 H +ATOM 1274 HG3 GLN A 218 -18.086 -12.627 -1.700 1.00 0.00 H +ATOM 1275 HE21 GLN A 218 -20.970 -13.837 -1.138 1.00 0.00 H +ATOM 1276 HE22 GLN A 218 -20.645 -14.925 0.193 1.00 0.00 H +ATOM 1277 N THR A 219 -16.401 -9.915 -2.137 1.00 17.50 N +ATOM 1278 CA THR A 219 -15.331 -10.288 -3.034 1.00 20.61 C +ATOM 1279 C THR A 219 -14.558 -11.382 -2.328 1.00 21.75 C +ATOM 1280 O THR A 219 -14.935 -11.807 -1.232 1.00 18.78 O +ATOM 1281 CB THR A 219 -14.377 -9.113 -3.301 1.00 18.64 C +ATOM 1282 CG2 THR A 219 -15.132 -7.906 -3.796 1.00 24.98 C +ATOM 1283 OG1 THR A 219 -13.674 -8.793 -2.102 1.00 19.95 O +ATOM 1284 H THR A 219 -16.129 -9.511 -1.252 1.00 0.00 H +ATOM 1285 HA THR A 219 -15.740 -10.662 -3.973 1.00 0.00 H +ATOM 1286 HB THR A 219 -13.656 -9.412 -4.062 1.00 0.00 H +ATOM 1287 HG1 THR A 219 -13.077 -8.059 -2.266 1.00 0.00 H +ATOM 1288 HG21 THR A 219 -14.434 -7.089 -3.977 1.00 0.00 H +ATOM 1289 HG22 THR A 219 -15.648 -8.155 -4.723 1.00 0.00 H +ATOM 1290 HG23 THR A 219 -15.861 -7.600 -3.046 1.00 0.00 H +ATOM 1291 N HID A 220 -13.452 -11.819 -2.927 1.00 23.13 N +ATOM 1292 CA HID A 220 -12.662 -12.873 -2.310 1.00 23.02 C +ATOM 1293 C HID A 220 -12.097 -12.419 -0.959 1.00 20.96 C +ATOM 1294 O HID A 220 -11.938 -13.228 -0.076 1.00 23.05 O +ATOM 1295 CB HID A 220 -11.578 -13.413 -3.267 1.00 25.32 C +ATOM 1296 CG HID A 220 -10.407 -12.506 -3.444 1.00 30.58 C +ATOM 1297 CD2 HID A 220 -9.199 -12.475 -2.830 1.00 40.86 C +ATOM 1298 ND1 HID A 220 -10.392 -11.485 -4.369 1.00 42.14 N +ATOM 1299 CE1 HID A 220 -9.233 -10.851 -4.306 1.00 45.61 C +ATOM 1300 NE2 HID A 220 -8.491 -11.432 -3.379 1.00 45.98 N +ATOM 1301 H HID A 220 -13.163 -11.419 -3.808 1.00 0.00 H +ATOM 1302 HA HID A 220 -13.343 -13.699 -2.106 1.00 0.00 H +ATOM 1303 HB2 HID A 220 -11.233 -14.383 -2.911 1.00 0.00 H +ATOM 1304 HB3 HID A 220 -12.025 -13.619 -4.239 1.00 0.00 H +ATOM 1305 HD1 HID A 220 -11.196 -11.327 -4.959 1.00 0.00 H +ATOM 1306 HD2 HID A 220 -8.964 -13.199 -2.063 1.00 0.00 H +ATOM 1307 HE1 HID A 220 -9.041 -10.010 -4.956 1.00 0.00 H +ATOM 1308 N ASP A 221 -11.827 -11.130 -0.789 1.00 19.50 N +ATOM 1309 CA ASP A 221 -11.209 -10.664 0.447 1.00 19.90 C +ATOM 1310 C ASP A 221 -12.060 -9.694 1.284 1.00 17.02 C +ATOM 1311 O ASP A 221 -11.696 -9.390 2.396 1.00 16.09 O +ATOM 1312 CB ASP A 221 -9.833 -10.053 0.148 1.00 23.29 C +ATOM 1313 CG ASP A 221 -9.904 -8.825 -0.718 1.00 27.22 C +ATOM 1314 OD1 ASP A 221 -8.880 -8.113 -0.798 1.00 40.21 O +ATOM 1315 OD2 ASP A 221 -10.961 -8.564 -1.320 1.00 32.97 O1- +ATOM 1316 H ASP A 221 -12.050 -10.467 -1.518 1.00 0.00 H +ATOM 1317 HA ASP A 221 -11.035 -11.545 1.065 1.00 0.00 H +ATOM 1318 HB2 ASP A 221 -9.335 -9.806 1.086 1.00 0.00 H +ATOM 1319 HB3 ASP A 221 -9.202 -10.800 -0.334 1.00 0.00 H +ATOM 1320 N ARG A 222 -13.196 -9.239 0.769 1.00 17.59 N +ATOM 1321 CA ARG A 222 -13.962 -8.186 1.453 1.00 15.71 C +ATOM 1322 C ARG A 222 -15.449 -8.476 1.510 1.00 14.39 C +ATOM 1323 O ARG A 222 -16.001 -9.173 0.657 1.00 14.94 O +ATOM 1324 CB ARG A 222 -13.761 -6.812 0.768 1.00 16.38 C +ATOM 1325 CG ARG A 222 -12.377 -6.235 0.935 1.00 20.15 C +ATOM 1326 CD ARG A 222 -12.097 -5.095 -0.029 1.00 26.51 C +ATOM 1327 NE ARG A 222 -11.913 -5.582 -1.398 1.00 33.29 N +ATOM 1328 CZ ARG A 222 -11.312 -4.904 -2.378 1.00 34.33 C +ATOM 1329 NH1 ARG A 222 -11.214 -5.444 -3.586 1.00 40.33 N1+ +ATOM 1330 NH2 ARG A 222 -10.805 -3.694 -2.162 1.00 33.61 N1+ +ATOM 1331 H ARG A 222 -13.543 -9.616 -0.101 1.00 0.00 H +ATOM 1332 HA ARG A 222 -13.593 -8.111 2.476 1.00 0.00 H +ATOM 1333 HB2 ARG A 222 -13.990 -6.901 -0.294 1.00 0.00 H +ATOM 1334 HB3 ARG A 222 -14.496 -6.105 1.153 1.00 0.00 H +ATOM 1335 HG2 ARG A 222 -12.253 -5.882 1.959 1.00 0.00 H +ATOM 1336 HG3 ARG A 222 -11.637 -7.022 0.790 1.00 0.00 H +ATOM 1337 HD2 ARG A 222 -12.925 -4.387 -0.004 1.00 0.00 H +ATOM 1338 HD3 ARG A 222 -11.201 -4.562 0.290 1.00 0.00 H +ATOM 1339 HE ARG A 222 -12.282 -6.505 -1.575 1.00 0.00 H +ATOM 1340 HH11 ARG A 222 -11.593 -6.364 -3.760 1.00 0.00 H +ATOM 1341 HH12 ARG A 222 -10.760 -4.935 -4.331 1.00 0.00 H +ATOM 1342 HH21 ARG A 222 -10.872 -3.275 -1.246 1.00 0.00 H +ATOM 1343 HH22 ARG A 222 -10.353 -3.194 -2.914 1.00 0.00 H +ATOM 1344 N LEU A 223 -16.093 -7.885 2.512 1.00 14.30 N +ATOM 1345 CA LEU A 223 -17.546 -7.743 2.574 1.00 13.24 C +ATOM 1346 C LEU A 223 -17.913 -6.276 2.415 1.00 12.77 C +ATOM 1347 O LEU A 223 -17.276 -5.423 3.031 1.00 15.07 O +ATOM 1348 CB LEU A 223 -18.050 -8.257 3.921 1.00 10.95 C +ATOM 1349 CG LEU A 223 -17.779 -9.722 4.239 1.00 14.25 C +ATOM 1350 CD1 LEU A 223 -18.177 -10.042 5.695 1.00 16.69 C +ATOM 1351 CD2 LEU A 223 -18.523 -10.605 3.245 1.00 13.48 C +ATOM 1352 H LEU A 223 -15.574 -7.502 3.290 1.00 0.00 H +ATOM 1353 HA LEU A 223 -18.002 -8.321 1.770 1.00 0.00 H +ATOM 1354 HB2 LEU A 223 -17.642 -7.635 4.718 1.00 0.00 H +ATOM 1355 HB3 LEU A 223 -19.120 -8.064 4.001 1.00 0.00 H +ATOM 1356 HG LEU A 223 -16.710 -9.905 4.127 1.00 0.00 H +ATOM 1357 HD11 LEU A 223 -17.976 -11.093 5.904 1.00 0.00 H +ATOM 1358 HD12 LEU A 223 -17.597 -9.419 6.376 1.00 0.00 H +ATOM 1359 HD13 LEU A 223 -19.239 -9.840 5.835 1.00 0.00 H +ATOM 1360 HD21 LEU A 223 -18.329 -11.653 3.473 1.00 0.00 H +ATOM 1361 HD22 LEU A 223 -19.593 -10.411 3.316 1.00 0.00 H +ATOM 1362 HD23 LEU A 223 -18.180 -10.384 2.234 1.00 0.00 H +ATOM 1363 N CYS A 224 -18.949 -6.000 1.631 1.00 11.84 N +ATOM 1364 CA CYS A 224 -19.414 -4.636 1.329 1.00 12.17 C +ATOM 1365 C CYS A 224 -20.878 -4.479 1.661 1.00 14.25 C +ATOM 1366 O CYS A 224 -21.704 -5.239 1.181 1.00 13.59 O +ATOM 1367 CB CYS A 224 -19.181 -4.319 -0.152 1.00 13.22 C +ATOM 1368 SG CYS A 224 -17.431 -4.443 -0.635 1.00 17.96 S +ATOM 1369 H CYS A 224 -19.471 -6.750 1.201 1.00 0.00 H +ATOM 1370 HA CYS A 224 -18.842 -3.931 1.931 1.00 0.00 H +ATOM 1371 HB2 CYS A 224 -19.775 -4.997 -0.765 1.00 0.00 H +ATOM 1372 HB3 CYS A 224 -19.546 -3.315 -0.369 1.00 0.00 H +ATOM 1373 HG CYS A 224 -17.305 -4.154 -1.933 1.00 0.00 H +ATOM 1374 N PHE A 225 -21.192 -3.504 2.500 1.00 10.86 N +ATOM 1375 CA PHE A 225 -22.564 -3.118 2.818 1.00 9.27 C +ATOM 1376 C PHE A 225 -22.760 -1.696 2.287 1.00 11.84 C +ATOM 1377 O PHE A 225 -22.091 -0.744 2.747 1.00 10.39 O +ATOM 1378 CB PHE A 225 -22.820 -3.065 4.336 1.00 9.88 C +ATOM 1379 CG PHE A 225 -22.541 -4.354 5.099 1.00 11.92 C +ATOM 1380 CD1 PHE A 225 -23.593 -5.122 5.565 1.00 16.10 C +ATOM 1381 CD2 PHE A 225 -21.252 -4.765 5.387 1.00 18.67 C +ATOM 1382 CE1 PHE A 225 -23.373 -6.275 6.294 1.00 20.45 C +ATOM 1383 CE2 PHE A 225 -21.022 -5.928 6.119 1.00 22.52 C +ATOM 1384 CZ PHE A 225 -22.087 -6.680 6.570 1.00 20.97 C +ATOM 1385 H PHE A 225 -20.462 -2.980 2.961 1.00 0.00 H +ATOM 1386 HA PHE A 225 -23.268 -3.799 2.340 1.00 0.00 H +ATOM 1387 HB2 PHE A 225 -22.235 -2.255 4.772 1.00 0.00 H +ATOM 1388 HB3 PHE A 225 -23.849 -2.755 4.517 1.00 0.00 H +ATOM 1389 HD1 PHE A 225 -24.611 -4.824 5.361 1.00 0.00 H +ATOM 1390 HD2 PHE A 225 -20.410 -4.182 5.044 1.00 0.00 H +ATOM 1391 HE1 PHE A 225 -24.210 -6.859 6.647 1.00 0.00 H +ATOM 1392 HE2 PHE A 225 -20.010 -6.240 6.333 1.00 0.00 H +ATOM 1393 HZ PHE A 225 -21.915 -7.583 7.137 1.00 0.00 H +ATOM 1394 N VAL A 226 -23.633 -1.543 1.297 1.00 10.50 N +ATOM 1395 CA VAL A 226 -23.972 -0.230 0.728 1.00 9.40 C +ATOM 1396 C VAL A 226 -25.274 0.238 1.353 1.00 10.09 C +ATOM 1397 O VAL A 226 -26.328 -0.373 1.150 1.00 11.10 O +ATOM 1398 CB VAL A 226 -24.065 -0.292 -0.828 1.00 10.42 C +ATOM 1399 CG1 VAL A 226 -24.372 1.079 -1.374 1.00 10.85 C +ATOM 1400 CG2 VAL A 226 -22.756 -0.855 -1.433 1.00 10.04 C +ATOM 1401 H VAL A 226 -24.096 -2.349 0.903 1.00 0.00 H +ATOM 1402 HA VAL A 226 -23.187 0.476 0.998 1.00 0.00 H +ATOM 1403 HB VAL A 226 -24.883 -0.960 -1.097 1.00 0.00 H +ATOM 1404 HG11 VAL A 226 -24.436 1.032 -2.461 1.00 0.00 H +ATOM 1405 HG12 VAL A 226 -25.322 1.427 -0.969 1.00 0.00 H +ATOM 1406 HG13 VAL A 226 -23.580 1.771 -1.087 1.00 0.00 H +ATOM 1407 HG21 VAL A 226 -22.843 -0.890 -2.519 1.00 0.00 H +ATOM 1408 HG22 VAL A 226 -21.921 -0.212 -1.156 1.00 0.00 H +ATOM 1409 HG23 VAL A 226 -22.582 -1.861 -1.051 1.00 0.00 H +ATOM 1410 N MET A 227 -25.180 1.278 2.158 1.00 10.48 N +ATOM 1411 CA MET A 227 -26.274 1.747 2.995 1.00 7.35 C +ATOM 1412 C MET A 227 -26.594 3.195 2.722 1.00 9.17 C +ATOM 1413 O MET A 227 -25.783 3.938 2.175 1.00 8.08 O +ATOM 1414 CB MET A 227 -25.871 1.614 4.467 1.00 10.75 C +ATOM 1415 CG MET A 227 -25.604 0.175 4.924 1.00 11.92 C +ATOM 1416 SD MET A 227 -24.811 0.047 6.532 1.00 13.99 S +ATOM 1417 CE MET A 227 -23.167 0.575 6.163 1.00 13.77 C +ATOM 1418 H MET A 227 -24.314 1.795 2.216 1.00 0.00 H +ATOM 1419 HA MET A 227 -27.159 1.140 2.806 1.00 0.00 H +ATOM 1420 HB2 MET A 227 -24.987 2.223 4.656 1.00 0.00 H +ATOM 1421 HB3 MET A 227 -26.646 2.054 5.095 1.00 0.00 H +ATOM 1422 HG2 MET A 227 -26.542 -0.379 4.939 1.00 0.00 H +ATOM 1423 HG3 MET A 227 -24.993 -0.333 4.178 1.00 0.00 H +ATOM 1424 HE1 MET A 227 -22.563 0.546 7.070 1.00 0.00 H +ATOM 1425 HE2 MET A 227 -22.731 -0.088 5.415 1.00 0.00 H +ATOM 1426 HE3 MET A 227 -23.190 1.594 5.776 1.00 0.00 H +ATOM 1427 N GLU A 228 -27.780 3.636 3.095 1.00 10.61 N +ATOM 1428 CA GLU A 228 -28.138 5.046 3.026 0.50 12.63 C +ATOM 1429 C GLU A 228 -27.137 5.895 3.812 1.00 11.12 C +ATOM 1430 O GLU A 228 -26.837 5.590 4.983 1.00 11.63 O +ATOM 1431 CB GLU A 228 -29.566 5.265 3.564 0.50 14.63 C +ATOM 1432 CG GLU A 228 -30.630 4.586 2.683 0.50 18.64 C +ATOM 1433 CD GLU A 228 -32.053 5.034 2.960 0.50 24.24 C +ATOM 1434 OE1 GLU A 228 -32.458 5.092 4.138 0.50 25.51 O +ATOM 1435 OE2 GLU A 228 -32.784 5.278 1.978 0.50 32.50 O1- +ATOM 1436 H GLU A 228 -28.473 2.989 3.442 1.00 0.00 H +ATOM 1437 HA GLU A 228 -28.111 5.358 1.982 0.50 0.00 H +ATOM 1438 HB2 GLU A 228 -29.634 4.876 4.580 0.50 0.00 H +ATOM 1439 HB3 GLU A 228 -29.772 6.334 3.622 0.50 0.00 H +ATOM 1440 HG2 GLU A 228 -30.394 4.760 1.633 0.50 0.00 H +ATOM 1441 HG3 GLU A 228 -30.562 3.505 2.803 0.50 0.00 H +ATOM 1442 N TYR A 229 -26.649 6.943 3.176 1.00 11.47 N +ATOM 1443 CA TYR A 229 -25.726 7.885 3.776 1.00 11.02 C +ATOM 1444 C TYR A 229 -26.451 8.856 4.709 1.00 8.98 C +ATOM 1445 O TYR A 229 -27.388 9.558 4.282 1.00 11.03 O +ATOM 1446 CB TYR A 229 -24.998 8.601 2.636 1.00 12.38 C +ATOM 1447 CG TYR A 229 -24.141 9.798 2.986 1.00 10.91 C +ATOM 1448 CD1 TYR A 229 -23.233 9.756 4.044 1.00 11.09 C +ATOM 1449 CD2 TYR A 229 -24.210 10.973 2.231 1.00 16.89 C +ATOM 1450 CE1 TYR A 229 -22.417 10.860 4.360 1.00 11.09 C +ATOM 1451 CE2 TYR A 229 -23.394 12.079 2.537 1.00 14.29 C +ATOM 1452 CZ TYR A 229 -22.503 12.023 3.610 1.00 12.27 C +ATOM 1453 OH TYR A 229 -21.677 13.109 3.965 1.00 14.11 O +ATOM 1454 H TYR A 229 -26.916 7.122 2.219 1.00 0.00 H +ATOM 1455 HA TYR A 229 -24.993 7.328 4.359 1.00 0.00 H +ATOM 1456 HB2 TYR A 229 -24.395 7.878 2.087 1.00 0.00 H +ATOM 1457 HB3 TYR A 229 -25.723 8.891 1.875 1.00 0.00 H +ATOM 1458 HD1 TYR A 229 -23.143 8.862 4.643 1.00 0.00 H +ATOM 1459 HD2 TYR A 229 -24.896 11.041 1.400 1.00 0.00 H +ATOM 1460 HE1 TYR A 229 -21.724 10.801 5.187 1.00 0.00 H +ATOM 1461 HE2 TYR A 229 -23.455 12.977 1.940 1.00 0.00 H +ATOM 1462 HH TYR A 229 -21.838 13.843 3.367 1.00 0.00 H +ATOM 1463 N ALA A 230 -26.059 8.881 5.981 1.00 10.48 N +ATOM 1464 CA ALA A 230 -26.596 9.810 6.943 1.00 10.89 C +ATOM 1465 C ALA A 230 -25.763 11.109 6.896 1.00 7.97 C +ATOM 1466 O ALA A 230 -24.770 11.281 7.635 1.00 11.11 O +ATOM 1467 CB ALA A 230 -26.558 9.180 8.306 1.00 13.21 C +ATOM 1468 H ALA A 230 -25.358 8.231 6.306 1.00 0.00 H +ATOM 1469 HA ALA A 230 -27.630 10.038 6.682 1.00 0.00 H +ATOM 1470 HB1 ALA A 230 -26.963 9.877 9.040 1.00 0.00 H +ATOM 1471 HB2 ALA A 230 -27.156 8.269 8.302 1.00 0.00 H +ATOM 1472 HB3 ALA A 230 -25.528 8.937 8.566 1.00 0.00 H +ATOM 1473 N ASN A 231 -26.199 12.040 6.053 1.00 9.57 N +ATOM 1474 CA ASN A 231 -25.414 13.265 5.749 1.00 11.06 C +ATOM 1475 C ASN A 231 -25.180 14.151 6.981 1.00 8.57 C +ATOM 1476 O ASN A 231 -24.249 14.956 7.002 1.00 12.33 O +ATOM 1477 CB ASN A 231 -26.095 14.164 4.706 1.00 11.78 C +ATOM 1478 CG ASN A 231 -26.493 13.458 3.440 1.00 14.14 C +ATOM 1479 ND2 ASN A 231 -26.061 14.015 2.309 1.00 16.30 N +ATOM 1480 OD1 ASN A 231 -27.222 12.446 3.460 1.00 14.49 O +ATOM 1481 H ASN A 231 -27.092 11.928 5.594 1.00 0.00 H +ATOM 1482 HA ASN A 231 -24.443 12.961 5.357 1.00 0.00 H +ATOM 1483 HB2 ASN A 231 -26.974 14.631 5.151 1.00 0.00 H +ATOM 1484 HB3 ASN A 231 -25.436 14.998 4.463 1.00 0.00 H +ATOM 1485 HD21 ASN A 231 -25.504 14.857 2.341 1.00 0.00 H +ATOM 1486 HD22 ASN A 231 -26.290 13.595 1.420 1.00 0.00 H +ATOM 1487 N GLY A 232 -26.049 14.067 7.980 1.00 10.45 N +ATOM 1488 CA GLY A 232 -25.955 14.901 9.160 1.00 11.94 C +ATOM 1489 C GLY A 232 -24.972 14.483 10.231 1.00 8.75 C +ATOM 1490 O GLY A 232 -24.824 15.208 11.227 1.00 12.23 O +ATOM 1491 H GLY A 232 -26.809 13.404 7.933 1.00 0.00 H +ATOM 1492 HA2 GLY A 232 -25.740 15.926 8.858 1.00 0.00 H +ATOM 1493 HA3 GLY A 232 -26.945 15.006 9.604 1.00 0.00 H +ATOM 1494 N GLY A 233 -24.299 13.341 10.047 1.00 9.75 N +ATOM 1495 CA GLY A 233 -23.245 12.930 10.973 1.00 10.07 C +ATOM 1496 C GLY A 233 -23.735 12.279 12.249 1.00 12.57 C +ATOM 1497 O GLY A 233 -24.932 12.100 12.446 1.00 11.84 O +ATOM 1498 H GLY A 233 -24.516 12.748 9.259 1.00 0.00 H +ATOM 1499 HA2 GLY A 233 -22.560 12.253 10.462 1.00 0.00 H +ATOM 1500 HA3 GLY A 233 -22.627 13.793 11.222 1.00 0.00 H +ATOM 1501 N GLU A 234 -22.801 11.922 13.129 1.00 12.61 N +ATOM 1502 CA GLU A 234 -23.125 11.326 14.415 1.00 12.20 C +ATOM 1503 C GLU A 234 -23.607 12.367 15.416 1.00 12.45 C +ATOM 1504 O GLU A 234 -23.135 13.508 15.417 1.00 10.89 O +ATOM 1505 CB GLU A 234 -21.912 10.645 15.028 1.00 10.57 C +ATOM 1506 CG GLU A 234 -21.280 9.602 14.166 1.00 12.93 C +ATOM 1507 CD GLU A 234 -19.994 9.038 14.755 1.00 14.65 C +ATOM 1508 OE1 GLU A 234 -19.417 9.636 15.702 1.00 15.09 O +ATOM 1509 OE2 GLU A 234 -19.578 7.990 14.254 1.00 14.24 O1- +ATOM 1510 H GLU A 234 -21.824 12.062 12.914 1.00 0.00 H +ATOM 1511 HA GLU A 234 -23.911 10.584 14.272 1.00 0.00 H +ATOM 1512 HB2 GLU A 234 -21.168 11.398 15.287 1.00 0.00 H +ATOM 1513 HB3 GLU A 234 -22.191 10.202 15.984 1.00 0.00 H +ATOM 1514 HG2 GLU A 234 -21.989 8.791 14.001 1.00 0.00 H +ATOM 1515 HG3 GLU A 234 -21.073 10.022 13.182 1.00 0.00 H +ATOM 1516 N LEU A 235 -24.541 11.988 16.283 1.00 12.35 N +ATOM 1517 CA LEU A 235 -24.840 12.839 17.438 1.00 11.35 C +ATOM 1518 C LEU A 235 -23.612 13.105 18.300 1.00 11.13 C +ATOM 1519 O LEU A 235 -23.512 14.166 18.903 1.00 12.31 O +ATOM 1520 CB LEU A 235 -25.976 12.259 18.282 1.00 15.12 C +ATOM 1521 CG LEU A 235 -27.386 12.253 17.695 1.00 16.23 C +ATOM 1522 CD1 LEU A 235 -28.329 11.795 18.790 1.00 16.44 C +ATOM 1523 CD2 LEU A 235 -27.762 13.616 17.184 1.00 16.47 C +ATOM 1524 H LEU A 235 -25.038 11.120 16.143 1.00 0.00 H +ATOM 1525 HA LEU A 235 -25.180 13.800 17.053 1.00 0.00 H +ATOM 1526 HB2 LEU A 235 -25.712 11.246 18.587 1.00 0.00 H +ATOM 1527 HB3 LEU A 235 -25.994 12.762 19.249 1.00 0.00 H +ATOM 1528 HG LEU A 235 -27.425 11.541 16.871 1.00 0.00 H +ATOM 1529 HD11 LEU A 235 -29.350 11.778 18.408 1.00 0.00 H +ATOM 1530 HD12 LEU A 235 -28.047 10.794 19.118 1.00 0.00 H +ATOM 1531 HD13 LEU A 235 -28.269 12.483 19.633 1.00 0.00 H +ATOM 1532 HD21 LEU A 235 -28.770 13.584 16.771 1.00 0.00 H +ATOM 1533 HD22 LEU A 235 -27.728 14.334 18.003 1.00 0.00 H +ATOM 1534 HD23 LEU A 235 -27.061 13.919 16.406 1.00 0.00 H +ATOM 1535 N PHE A 236 -22.680 12.150 18.329 1.00 11.68 N +ATOM 1536 CA PHE A 236 -21.398 12.339 19.009 1.00 12.99 C +ATOM 1537 C PHE A 236 -20.680 13.596 18.520 1.00 15.04 C +ATOM 1538 O PHE A 236 -20.157 14.379 19.314 1.00 14.94 O +ATOM 1539 CB PHE A 236 -20.495 11.123 18.793 1.00 13.70 C +ATOM 1540 CG PHE A 236 -19.184 11.222 19.497 1.00 16.24 C +ATOM 1541 CD1 PHE A 236 -19.110 10.986 20.851 1.00 17.04 C +ATOM 1542 CD2 PHE A 236 -18.038 11.589 18.814 1.00 20.31 C +ATOM 1543 CE1 PHE A 236 -17.905 11.104 21.524 1.00 24.01 C +ATOM 1544 CE2 PHE A 236 -16.834 11.708 19.464 1.00 20.68 C +ATOM 1545 CZ PHE A 236 -16.766 11.468 20.832 1.00 24.75 C +ATOM 1546 H PHE A 236 -22.849 11.265 17.873 1.00 0.00 H +ATOM 1547 HA PHE A 236 -21.586 12.443 20.078 1.00 0.00 H +ATOM 1548 HB2 PHE A 236 -21.015 10.223 19.122 1.00 0.00 H +ATOM 1549 HB3 PHE A 236 -20.323 10.985 17.726 1.00 0.00 H +ATOM 1550 HD1 PHE A 236 -19.997 10.706 21.400 1.00 0.00 H +ATOM 1551 HD2 PHE A 236 -18.082 11.787 17.753 1.00 0.00 H +ATOM 1552 HE1 PHE A 236 -17.858 10.912 22.586 1.00 0.00 H +ATOM 1553 HE2 PHE A 236 -15.948 11.986 18.913 1.00 0.00 H +ATOM 1554 HZ PHE A 236 -15.825 11.566 21.354 1.00 0.00 H +ATOM 1555 N PHE A 237 -20.645 13.765 17.202 1.00 12.80 N +ATOM 1556 CA PHE A 237 -20.008 14.934 16.558 1.00 13.26 C +ATOM 1557 C PHE A 237 -20.645 16.231 17.065 1.00 14.09 C +ATOM 1558 O PHE A 237 -19.958 17.191 17.452 1.00 15.18 O +ATOM 1559 CB PHE A 237 -20.129 14.807 15.027 1.00 14.42 C +ATOM 1560 CG PHE A 237 -19.476 15.931 14.259 1.00 11.21 C +ATOM 1561 CD1 PHE A 237 -20.131 17.131 14.066 1.00 14.25 C +ATOM 1562 CD2 PHE A 237 -18.211 15.781 13.712 1.00 15.31 C +ATOM 1563 CE1 PHE A 237 -19.543 18.172 13.365 1.00 14.46 C +ATOM 1564 CE2 PHE A 237 -17.624 16.819 12.999 1.00 17.19 C +ATOM 1565 CZ PHE A 237 -18.293 17.996 12.826 1.00 14.94 C +ATOM 1566 H PHE A 237 -21.066 13.077 16.593 1.00 0.00 H +ATOM 1567 HA PHE A 237 -18.951 14.941 16.822 1.00 0.00 H +ATOM 1568 HB2 PHE A 237 -19.702 13.856 14.709 1.00 0.00 H +ATOM 1569 HB3 PHE A 237 -21.182 14.745 14.752 1.00 0.00 H +ATOM 1570 HD1 PHE A 237 -21.124 17.274 14.465 1.00 0.00 H +ATOM 1571 HD2 PHE A 237 -17.675 14.852 13.839 1.00 0.00 H +ATOM 1572 HE1 PHE A 237 -20.068 19.109 13.248 1.00 0.00 H +ATOM 1573 HE2 PHE A 237 -16.636 16.696 12.580 1.00 0.00 H +ATOM 1574 HZ PHE A 237 -17.832 18.792 12.260 1.00 0.00 H +ATOM 1575 N HID A 238 -21.970 16.283 17.059 1.00 12.45 N +ATOM 1576 CA HID A 238 -22.685 17.494 17.442 1.00 12.96 C +ATOM 1577 C HID A 238 -22.548 17.814 18.920 1.00 16.17 C +ATOM 1578 O HID A 238 -22.255 18.959 19.286 1.00 15.94 O +ATOM 1579 CB HID A 238 -24.160 17.412 17.019 1.00 14.21 C +ATOM 1580 CG HID A 238 -24.319 17.293 15.530 1.00 13.13 C +ATOM 1581 CD2 HID A 238 -24.606 16.227 14.745 1.00 12.35 C +ATOM 1582 ND1 HID A 238 -24.102 18.353 14.681 1.00 17.25 N +ATOM 1583 CE1 HID A 238 -24.247 17.942 13.432 1.00 15.83 C +ATOM 1584 NE2 HID A 238 -24.544 16.654 13.444 1.00 12.15 N +ATOM 1585 H HID A 238 -22.506 15.472 16.785 1.00 0.00 H +ATOM 1586 HA HID A 238 -22.237 18.321 16.890 1.00 0.00 H +ATOM 1587 HB2 HID A 238 -24.629 16.555 17.503 1.00 0.00 H +ATOM 1588 HB3 HID A 238 -24.688 18.299 17.370 1.00 0.00 H +ATOM 1589 HD1 HID A 238 -23.873 19.262 15.057 1.00 0.00 H +ATOM 1590 HD2 HID A 238 -24.826 15.270 15.194 1.00 0.00 H +ATOM 1591 HE1 HID A 238 -24.119 18.638 12.616 1.00 0.00 H +ATOM 1592 N LEU A 239 -22.723 16.802 19.758 1.00 16.10 N +ATOM 1593 CA LEU A 239 -22.683 17.021 21.203 1.00 18.41 C +ATOM 1594 C LEU A 239 -21.291 17.391 21.662 1.00 21.77 C +ATOM 1595 O LEU A 239 -21.145 18.169 22.603 1.00 25.45 O +ATOM 1596 CB LEU A 239 -23.226 15.799 21.945 1.00 16.44 C +ATOM 1597 CG LEU A 239 -23.776 16.038 23.353 1.00 19.38 C +ATOM 1598 CD1 LEU A 239 -24.931 17.012 23.345 1.00 16.69 C +ATOM 1599 CD2 LEU A 239 -24.210 14.695 23.949 1.00 23.28 C +ATOM 1600 H LEU A 239 -22.885 15.872 19.400 1.00 0.00 H +ATOM 1601 HA LEU A 239 -23.339 17.862 21.428 1.00 0.00 H +ATOM 1602 HB2 LEU A 239 -23.994 15.321 21.336 1.00 0.00 H +ATOM 1603 HB3 LEU A 239 -22.453 15.032 21.987 1.00 0.00 H +ATOM 1604 HG LEU A 239 -22.979 16.450 23.971 1.00 0.00 H +ATOM 1605 HD11 LEU A 239 -25.293 17.155 24.363 1.00 0.00 H +ATOM 1606 HD12 LEU A 239 -24.598 17.968 22.941 1.00 0.00 H +ATOM 1607 HD13 LEU A 239 -25.736 16.617 22.726 1.00 0.00 H +ATOM 1608 HD21 LEU A 239 -24.604 14.853 24.953 1.00 0.00 H +ATOM 1609 HD22 LEU A 239 -24.983 14.251 23.322 1.00 0.00 H +ATOM 1610 HD23 LEU A 239 -23.352 14.024 23.997 1.00 0.00 H +ATOM 1611 N SER A 240 -20.280 16.863 20.978 1.00 21.98 N +ATOM 1612 CA SER A 240 -18.876 17.222 21.214 1.00 24.56 C +ATOM 1613 C SER A 240 -18.642 18.714 21.044 1.00 26.42 C +ATOM 1614 O SER A 240 -17.876 19.325 21.804 1.00 33.39 O +ATOM 1615 CB SER A 240 -17.933 16.458 20.273 1.00 25.14 C +ATOM 1616 OG SER A 240 -17.716 15.130 20.720 1.00 30.83 O +ATOM 1617 H SER A 240 -20.461 16.180 20.256 1.00 0.00 H +ATOM 1618 HA SER A 240 -18.624 16.953 22.240 1.00 0.00 H +ATOM 1619 HB2 SER A 240 -18.359 16.438 19.270 1.00 0.00 H +ATOM 1620 HB3 SER A 240 -16.979 16.981 20.213 1.00 0.00 H +ATOM 1621 HG SER A 240 -17.124 14.680 20.113 1.00 0.00 H +ATOM 1622 N ARG A 241 -19.294 19.295 20.047 1.00 22.27 N +ATOM 1623 CA ARG A 241 -19.122 20.711 19.732 1.00 23.98 C +ATOM 1624 C ARG A 241 -20.057 21.628 20.519 1.00 24.59 C +ATOM 1625 O ARG A 241 -19.664 22.736 20.877 1.00 27.27 O +ATOM 1626 CB ARG A 241 -19.285 20.927 18.230 1.00 25.14 C +ATOM 1627 CG ARG A 241 -18.046 20.494 17.482 1.00 31.00 C +ATOM 1628 CD ARG A 241 -18.320 19.996 16.077 1.00 32.27 C +ATOM 1629 NE ARG A 241 -17.082 19.539 15.441 1.00 32.69 N +ATOM 1630 CZ ARG A 241 -16.454 18.389 15.704 1.00 41.25 C +ATOM 1631 NH1 ARG A 241 -15.329 18.089 15.055 1.00 47.31 N1+ +ATOM 1632 NH2 ARG A 241 -16.935 17.527 16.599 1.00 44.03 N1+ +ATOM 1633 H ARG A 241 -19.932 18.756 19.479 1.00 0.00 H +ATOM 1634 HA ARG A 241 -18.099 20.983 19.993 1.00 0.00 H +ATOM 1635 HB2 ARG A 241 -20.143 20.357 17.872 1.00 0.00 H +ATOM 1636 HB3 ARG A 241 -19.477 21.982 18.034 1.00 0.00 H +ATOM 1637 HG2 ARG A 241 -17.340 21.324 17.440 1.00 0.00 H +ATOM 1638 HG3 ARG A 241 -17.535 19.715 18.048 1.00 0.00 H +ATOM 1639 HD2 ARG A 241 -19.033 19.173 16.116 1.00 0.00 H +ATOM 1640 HD3 ARG A 241 -18.756 20.801 15.485 1.00 0.00 H +ATOM 1641 HE ARG A 241 -16.705 20.175 14.753 1.00 0.00 H +ATOM 1642 HH11 ARG A 241 -14.956 18.729 14.369 1.00 0.00 H +ATOM 1643 HH12 ARG A 241 -14.850 17.221 15.249 1.00 0.00 H +ATOM 1644 HH21 ARG A 241 -17.790 17.737 17.094 1.00 0.00 H +ATOM 1645 HH22 ARG A 241 -16.445 16.663 16.783 1.00 0.00 H +ATOM 1646 N GLU A 242 -21.269 21.155 20.813 1.00 22.73 N +ATOM 1647 CA GLU A 242 -22.315 21.962 21.469 1.00 21.19 C +ATOM 1648 C GLU A 242 -22.422 21.792 22.976 1.00 22.50 C +ATOM 1649 O GLU A 242 -23.107 22.586 23.615 1.00 22.23 O +ATOM 1650 CB GLU A 242 -23.691 21.652 20.876 1.00 21.74 C +ATOM 1651 CG GLU A 242 -23.778 21.990 19.418 1.00 29.45 C +ATOM 1652 CD GLU A 242 -25.101 21.617 18.810 1.00 32.33 C +ATOM 1653 OE1 GLU A 242 -26.119 21.671 19.521 1.00 34.99 O +ATOM 1654 OE2 GLU A 242 -25.119 21.277 17.612 1.00 51.02 O1- +ATOM 1655 H GLU A 242 -21.507 20.200 20.586 1.00 0.00 H +ATOM 1656 HA GLU A 242 -22.097 23.011 21.269 1.00 0.00 H +ATOM 1657 HB2 GLU A 242 -23.916 20.595 21.017 1.00 0.00 H +ATOM 1658 HB3 GLU A 242 -24.454 22.206 21.423 1.00 0.00 H +ATOM 1659 HG2 GLU A 242 -23.606 23.058 19.283 1.00 0.00 H +ATOM 1660 HG3 GLU A 242 -22.977 21.483 18.880 1.00 0.00 H +ATOM 1661 N ARG A 243 -21.812 20.731 23.498 1.00 22.35 N +ATOM 1662 CA ARG A 243 -21.803 20.412 24.941 0.50 23.46 C +ATOM 1663 C ARG A 243 -23.119 19.825 25.459 1.00 20.24 C +ATOM 1664 O ARG A 243 -23.116 18.729 26.025 1.00 21.73 O +ATOM 1665 CB ARG A 243 -21.404 21.607 25.812 0.50 24.92 C +ATOM 1666 CG ARG A 243 -21.056 21.194 27.240 0.50 26.99 C +ATOM 1667 CD ARG A 243 -20.794 22.392 28.139 0.50 27.40 C +ATOM 1668 NE ARG A 243 -22.023 23.074 28.542 0.50 28.55 N +ATOM 1669 CZ ARG A 243 -22.871 22.640 29.475 0.50 27.25 C +ATOM 1670 NH1 ARG A 243 -22.664 21.495 30.123 0.50 24.63 N1+ +ATOM 1671 NH2 ARG A 243 -23.951 23.358 29.751 0.50 33.43 N1+ +ATOM 1672 H ARG A 243 -21.317 20.087 22.898 1.00 0.00 H +ATOM 1673 HA ARG A 243 -21.040 19.648 25.088 0.50 0.00 H +ATOM 1674 HB2 ARG A 243 -20.550 22.114 25.363 0.50 0.00 H +ATOM 1675 HB3 ARG A 243 -22.220 22.329 25.832 0.50 0.00 H +ATOM 1676 HG2 ARG A 243 -21.871 20.601 27.655 0.50 0.00 H +ATOM 1677 HG3 ARG A 243 -20.176 20.551 27.227 0.50 0.00 H +ATOM 1678 HD2 ARG A 243 -20.252 22.067 29.027 0.50 0.00 H +ATOM 1679 HD3 ARG A 243 -20.141 23.096 27.623 0.50 0.00 H +ATOM 1680 HE ARG A 243 -22.209 23.938 28.053 0.50 0.00 H +ATOM 1681 HH11 ARG A 243 -21.851 20.935 29.912 0.50 0.00 H +ATOM 1682 HH12 ARG A 243 -23.320 21.187 30.826 0.50 0.00 H +ATOM 1683 HH21 ARG A 243 -24.123 24.222 29.257 0.50 0.00 H +ATOM 1684 HH22 ARG A 243 -24.602 23.041 30.455 0.50 0.00 H +ATOM 1685 N VAL A 244 -24.237 20.537 25.278 1.00 20.33 N +ATOM 1686 CA VAL A 244 -25.567 20.007 25.615 1.00 17.48 C +ATOM 1687 C VAL A 244 -26.581 20.353 24.545 1.00 14.57 C +ATOM 1688 O VAL A 244 -26.398 21.310 23.789 1.00 18.23 O +ATOM 1689 CB VAL A 244 -26.153 20.522 26.968 1.00 22.07 C +ATOM 1690 CG1 VAL A 244 -25.352 19.980 28.121 1.00 22.29 C +ATOM 1691 CG2 VAL A 244 -26.227 22.047 27.001 1.00 24.33 C +ATOM 1692 H VAL A 244 -24.185 21.471 24.898 1.00 0.00 H +ATOM 1693 HA VAL A 244 -25.493 18.921 25.671 1.00 0.00 H +ATOM 1694 HB VAL A 244 -27.169 20.137 27.059 1.00 0.00 H +ATOM 1695 HG11 VAL A 244 -25.770 20.346 29.059 1.00 0.00 H +ATOM 1696 HG12 VAL A 244 -25.388 18.891 28.109 1.00 0.00 H +ATOM 1697 HG13 VAL A 244 -24.317 20.310 28.032 1.00 0.00 H +ATOM 1698 HG21 VAL A 244 -26.639 22.371 27.957 1.00 0.00 H +ATOM 1699 HG22 VAL A 244 -25.227 22.463 26.878 1.00 0.00 H +ATOM 1700 HG23 VAL A 244 -26.868 22.398 26.192 1.00 0.00 H +ATOM 1701 N PHE A 245 -27.657 19.563 24.497 1.00 13.65 N +ATOM 1702 CA PHE A 245 -28.849 19.867 23.713 1.00 15.89 C +ATOM 1703 C PHE A 245 -29.893 20.390 24.665 1.00 14.82 C +ATOM 1704 O PHE A 245 -29.886 20.044 25.844 1.00 15.81 O +ATOM 1705 CB PHE A 245 -29.407 18.604 23.060 1.00 14.88 C +ATOM 1706 CG PHE A 245 -28.518 17.987 21.998 1.00 13.47 C +ATOM 1707 CD1 PHE A 245 -27.536 18.714 21.340 1.00 13.40 C +ATOM 1708 CD2 PHE A 245 -28.709 16.655 21.623 1.00 12.50 C +ATOM 1709 CE1 PHE A 245 -26.771 18.131 20.328 1.00 13.67 C +ATOM 1710 CE2 PHE A 245 -27.895 16.056 20.643 1.00 13.12 C +ATOM 1711 CZ PHE A 245 -26.939 16.807 19.999 1.00 12.88 C +ATOM 1712 H PHE A 245 -27.674 18.701 25.023 1.00 0.00 H +ATOM 1713 HA PHE A 245 -28.621 20.615 22.954 1.00 0.00 H +ATOM 1714 HB2 PHE A 245 -29.616 17.862 23.831 1.00 0.00 H +ATOM 1715 HB3 PHE A 245 -30.384 18.822 22.630 1.00 0.00 H +ATOM 1716 HD1 PHE A 245 -27.356 19.744 21.609 1.00 0.00 H +ATOM 1717 HD2 PHE A 245 -29.490 16.070 22.087 1.00 0.00 H +ATOM 1718 HE1 PHE A 245 -26.040 18.721 19.796 1.00 0.00 H +ATOM 1719 HE2 PHE A 245 -28.023 15.012 20.400 1.00 0.00 H +ATOM 1720 HZ PHE A 245 -26.321 16.358 19.236 1.00 0.00 H +ATOM 1721 N SER A 246 -30.828 21.191 24.161 1.00 16.51 N +ATOM 1722 CA SER A 246 -31.982 21.588 24.965 1.00 18.56 C +ATOM 1723 C SER A 246 -32.829 20.365 25.260 1.00 17.37 C +ATOM 1724 O SER A 246 -32.724 19.359 24.543 1.00 14.99 O +ATOM 1725 CB SER A 246 -32.845 22.606 24.224 1.00 17.40 C +ATOM 1726 OG SER A 246 -33.419 22.028 23.062 1.00 18.32 O +ATOM 1727 H SER A 246 -30.744 21.531 23.214 1.00 0.00 H +ATOM 1728 HA SER A 246 -31.636 22.022 25.903 1.00 0.00 H +ATOM 1729 HB2 SER A 246 -33.638 22.958 24.884 1.00 0.00 H +ATOM 1730 HB3 SER A 246 -32.233 23.462 23.939 1.00 0.00 H +ATOM 1731 HG SER A 246 -33.957 22.683 22.611 1.00 0.00 H +ATOM 1732 N GLU A 247 -33.680 20.463 26.280 1.00 18.18 N +ATOM 1733 CA GLU A 247 -34.622 19.392 26.609 1.00 18.27 C +ATOM 1734 C GLU A 247 -35.562 19.101 25.428 1.00 16.71 C +ATOM 1735 O GLU A 247 -35.781 17.940 25.085 1.00 16.07 O +ATOM 1736 CB GLU A 247 -35.386 19.704 27.903 1.00 19.66 C +ATOM 1737 CG GLU A 247 -34.477 19.645 29.143 1.00 24.99 C +ATOM 1738 CD GLU A 247 -35.204 19.846 30.475 1.00 27.58 C +ATOM 1739 OE1 GLU A 247 -36.445 19.656 30.535 1.00 24.65 O +ATOM 1740 OE2 GLU A 247 -34.513 20.165 31.471 1.00 23.40 O1- +ATOM 1741 H GLU A 247 -33.688 21.295 26.853 1.00 0.00 H +ATOM 1742 HA GLU A 247 -34.037 18.490 26.788 1.00 0.00 H +ATOM 1743 HB2 GLU A 247 -35.835 20.695 27.829 1.00 0.00 H +ATOM 1744 HB3 GLU A 247 -36.205 18.995 28.020 1.00 0.00 H +ATOM 1745 HG2 GLU A 247 -33.951 18.691 29.160 1.00 0.00 H +ATOM 1746 HG3 GLU A 247 -33.687 20.390 29.047 1.00 0.00 H +ATOM 1747 N ASP A 248 -36.084 20.137 24.774 1.00 18.95 N +ATOM 1748 CA ASP A 248 -36.873 19.929 23.543 1.00 19.31 C +ATOM 1749 C ASP A 248 -36.144 19.144 22.433 1.00 14.92 C +ATOM 1750 O ASP A 248 -36.722 18.240 21.837 1.00 16.81 O +ATOM 1751 CB ASP A 248 -37.335 21.270 22.971 1.00 21.83 C +ATOM 1752 CG ASP A 248 -38.472 21.903 23.774 1.00 32.62 C +ATOM 1753 OD1 ASP A 248 -38.930 21.308 24.774 1.00 37.76 O +ATOM 1754 OD2 ASP A 248 -38.904 23.016 23.394 1.00 37.43 O1- +ATOM 1755 H ASP A 248 -35.942 21.076 25.119 1.00 0.00 H +ATOM 1756 HA ASP A 248 -37.764 19.363 23.815 1.00 0.00 H +ATOM 1757 HB2 ASP A 248 -36.491 21.958 22.935 1.00 0.00 H +ATOM 1758 HB3 ASP A 248 -37.654 21.132 21.938 1.00 0.00 H +ATOM 1759 N ARG A 249 -34.872 19.477 22.183 1.00 12.21 N +ATOM 1760 CA ARG A 249 -34.086 18.782 21.162 1.00 13.50 C +ATOM 1761 C ARG A 249 -33.797 17.324 21.568 1.00 12.14 C +ATOM 1762 O ARG A 249 -33.969 16.393 20.771 1.00 10.37 O +ATOM 1763 CB ARG A 249 -32.801 19.543 20.877 1.00 15.17 C +ATOM 1764 CG ARG A 249 -31.978 18.899 19.798 1.00 14.48 C +ATOM 1765 CD ARG A 249 -30.876 19.808 19.316 1.00 17.50 C +ATOM 1766 NE ARG A 249 -30.081 19.193 18.260 1.00 18.87 N +ATOM 1767 CZ ARG A 249 -28.895 19.624 17.848 1.00 16.29 C +ATOM 1768 NH1 ARG A 249 -28.344 20.692 18.394 1.00 18.00 N1+ +ATOM 1769 NH2 ARG A 249 -28.252 18.982 16.890 1.00 18.32 N1+ +ATOM 1770 H ARG A 249 -34.434 20.223 22.704 1.00 0.00 H +ATOM 1771 HA ARG A 249 -34.673 18.763 20.244 1.00 0.00 H +ATOM 1772 HB2 ARG A 249 -33.042 20.566 20.587 1.00 0.00 H +ATOM 1773 HB3 ARG A 249 -32.211 19.612 21.791 1.00 0.00 H +ATOM 1774 HG2 ARG A 249 -31.545 17.973 20.176 1.00 0.00 H +ATOM 1775 HG3 ARG A 249 -32.622 18.634 18.960 1.00 0.00 H +ATOM 1776 HD2 ARG A 249 -31.308 20.739 18.949 1.00 0.00 H +ATOM 1777 HD3 ARG A 249 -30.228 20.068 20.153 1.00 0.00 H +ATOM 1778 HE ARG A 249 -30.498 18.378 17.833 1.00 0.00 H +ATOM 1779 HH11 ARG A 249 -28.825 21.188 19.131 1.00 0.00 H +ATOM 1780 HH12 ARG A 249 -27.441 21.014 18.075 1.00 0.00 H +ATOM 1781 HH21 ARG A 249 -28.662 18.161 16.469 1.00 0.00 H +ATOM 1782 HH22 ARG A 249 -27.350 19.312 16.578 1.00 0.00 H +ATOM 1783 N ALA A 250 -33.402 17.126 22.833 1.00 10.45 N +ATOM 1784 CA ALA A 250 -33.233 15.779 23.373 1.00 11.99 C +ATOM 1785 C ALA A 250 -34.533 14.950 23.314 1.00 13.20 C +ATOM 1786 O ALA A 250 -34.504 13.746 22.989 1.00 13.45 O +ATOM 1787 CB ALA A 250 -32.719 15.837 24.807 1.00 13.13 C +ATOM 1788 H ALA A 250 -33.215 17.916 23.433 1.00 0.00 H +ATOM 1789 HA ALA A 250 -32.483 15.268 22.769 1.00 0.00 H +ATOM 1790 HB1 ALA A 250 -32.599 14.824 25.192 1.00 0.00 H +ATOM 1791 HB2 ALA A 250 -31.757 16.349 24.828 1.00 0.00 H +ATOM 1792 HB3 ALA A 250 -33.432 16.379 25.428 1.00 0.00 H +ATOM 1793 N ARG A 251 -35.664 15.593 23.623 1.00 11.92 N +ATOM 1794 CA ARG A 251 -36.989 14.999 23.478 1.00 12.40 C +ATOM 1795 C ARG A 251 -37.280 14.479 22.054 1.00 9.89 C +ATOM 1796 O ARG A 251 -37.740 13.346 21.919 1.00 11.63 O +ATOM 1797 CB ARG A 251 -38.084 15.990 23.954 1.00 11.67 C +ATOM 1798 CG ARG A 251 -39.505 15.418 23.852 1.00 16.56 C +ATOM 1799 CD ARG A 251 -40.552 16.392 24.327 1.00 22.41 C +ATOM 1800 NE ARG A 251 -40.427 16.609 25.753 1.00 35.63 N +ATOM 1801 CZ ARG A 251 -40.041 17.729 26.361 1.00 34.77 C +ATOM 1802 NH1 ARG A 251 -39.735 18.830 25.689 1.00 32.19 N1+ +ATOM 1803 NH2 ARG A 251 -39.975 17.733 27.685 1.00 36.07 N1+ +ATOM 1804 H ARG A 251 -35.627 16.538 23.977 1.00 0.00 H +ATOM 1805 HA ARG A 251 -37.027 14.138 24.145 1.00 0.00 H +ATOM 1806 HB2 ARG A 251 -37.884 16.282 24.985 1.00 0.00 H +ATOM 1807 HB3 ARG A 251 -38.020 16.908 23.369 1.00 0.00 H +ATOM 1808 HG2 ARG A 251 -39.711 15.141 22.818 1.00 0.00 H +ATOM 1809 HG3 ARG A 251 -39.570 14.502 24.439 1.00 0.00 H +ATOM 1810 HD2 ARG A 251 -40.430 17.340 23.803 1.00 0.00 H +ATOM 1811 HD3 ARG A 251 -41.543 15.996 24.106 1.00 0.00 H +ATOM 1812 HE ARG A 251 -40.669 15.795 26.300 1.00 0.00 H +ATOM 1813 HH11 ARG A 251 -39.791 18.838 24.681 1.00 0.00 H +ATOM 1814 HH12 ARG A 251 -39.446 19.661 26.185 1.00 0.00 H +ATOM 1815 HH21 ARG A 251 -40.214 16.901 28.205 1.00 0.00 H +ATOM 1816 HH22 ARG A 251 -39.685 18.568 28.174 1.00 0.00 H +ATOM 1817 N PHE A 252 -37.046 15.302 21.038 1.00 10.99 N +ATOM 1818 CA PHE A 252 -37.217 14.924 19.634 1.00 11.00 C +ATOM 1819 C PHE A 252 -36.395 13.662 19.296 1.00 10.95 C +ATOM 1820 O PHE A 252 -36.916 12.681 18.786 1.00 10.82 O +ATOM 1821 CB PHE A 252 -36.850 16.106 18.746 1.00 12.17 C +ATOM 1822 CG PHE A 252 -36.789 15.768 17.301 1.00 11.95 C +ATOM 1823 CD1 PHE A 252 -37.920 15.767 16.501 1.00 19.22 C +ATOM 1824 CD2 PHE A 252 -35.575 15.393 16.742 1.00 14.74 C +ATOM 1825 CE1 PHE A 252 -37.824 15.397 15.152 1.00 17.03 C +ATOM 1826 CE2 PHE A 252 -35.474 15.036 15.426 1.00 14.36 C +ATOM 1827 CZ PHE A 252 -36.592 15.023 14.621 1.00 14.89 C +ATOM 1828 H PHE A 252 -36.732 16.246 21.214 1.00 0.00 H +ATOM 1829 HA PHE A 252 -38.270 14.694 19.472 1.00 0.00 H +ATOM 1830 HB2 PHE A 252 -37.569 16.911 18.899 1.00 0.00 H +ATOM 1831 HB3 PHE A 252 -35.890 16.512 19.063 1.00 0.00 H +ATOM 1832 HD1 PHE A 252 -38.876 16.051 16.916 1.00 0.00 H +ATOM 1833 HD2 PHE A 252 -34.682 15.379 17.350 1.00 0.00 H +ATOM 1834 HE1 PHE A 252 -38.704 15.402 14.527 1.00 0.00 H +ATOM 1835 HE2 PHE A 252 -34.514 14.762 15.013 1.00 0.00 H +ATOM 1836 HZ PHE A 252 -36.518 14.726 13.585 1.00 0.00 H +ATOM 1837 N TYR A 253 -35.096 13.697 19.566 1.00 10.20 N +ATOM 1838 CA TYR A 253 -34.241 12.527 19.330 1.00 11.05 C +ATOM 1839 C TYR A 253 -34.680 11.279 20.118 1.00 8.12 C +ATOM 1840 O TYR A 253 -34.790 10.192 19.572 1.00 8.43 O +ATOM 1841 CB TYR A 253 -32.781 12.868 19.628 1.00 11.69 C +ATOM 1842 CG TYR A 253 -32.192 13.953 18.727 1.00 9.52 C +ATOM 1843 CD1 TYR A 253 -32.527 14.042 17.348 1.00 8.12 C +ATOM 1844 CD2 TYR A 253 -31.259 14.859 19.226 1.00 12.91 C +ATOM 1845 CE1 TYR A 253 -32.003 15.027 16.551 1.00 9.88 C +ATOM 1846 CE2 TYR A 253 -30.714 15.824 18.428 1.00 12.18 C +ATOM 1847 CZ TYR A 253 -31.080 15.917 17.087 1.00 9.94 C +ATOM 1848 OH TYR A 253 -30.554 16.910 16.278 1.00 13.58 O +ATOM 1849 H TYR A 253 -34.680 14.538 19.940 1.00 0.00 H +ATOM 1850 HA TYR A 253 -34.308 12.283 18.270 1.00 0.00 H +ATOM 1851 HB2 TYR A 253 -32.687 13.174 20.670 1.00 0.00 H +ATOM 1852 HB3 TYR A 253 -32.176 11.965 19.549 1.00 0.00 H +ATOM 1853 HD1 TYR A 253 -33.206 13.325 16.910 1.00 0.00 H +ATOM 1854 HD2 TYR A 253 -30.955 14.806 20.261 1.00 0.00 H +ATOM 1855 HE1 TYR A 253 -32.308 15.105 15.518 1.00 0.00 H +ATOM 1856 HE2 TYR A 253 -29.996 16.520 18.836 1.00 0.00 H +ATOM 1857 HH TYR A 253 -29.936 17.442 16.784 1.00 0.00 H +ATOM 1858 N GLY A 254 -34.900 11.447 21.425 1.00 9.72 N +ATOM 1859 CA GLY A 254 -35.468 10.407 22.288 1.00 12.25 C +ATOM 1860 C GLY A 254 -36.722 9.749 21.738 1.00 8.34 C +ATOM 1861 O GLY A 254 -36.824 8.517 21.726 1.00 9.01 O +ATOM 1862 H GLY A 254 -34.672 12.326 21.867 1.00 0.00 H +ATOM 1863 HA2 GLY A 254 -34.713 9.644 22.478 1.00 0.00 H +ATOM 1864 HA3 GLY A 254 -35.683 10.830 23.269 1.00 0.00 H +ATOM 1865 N ALA A 255 -37.661 10.556 21.252 1.00 11.73 N +ATOM 1866 CA ALA A 255 -38.879 10.000 20.703 1.00 13.33 C +ATOM 1867 C ALA A 255 -38.623 9.112 19.441 1.00 10.77 C +ATOM 1868 O ALA A 255 -39.207 8.024 19.288 1.00 10.95 O +ATOM 1869 CB ALA A 255 -39.852 11.118 20.417 1.00 11.43 C +ATOM 1870 H ALA A 255 -37.524 11.557 21.266 1.00 0.00 H +ATOM 1871 HA ALA A 255 -39.324 9.364 21.468 1.00 0.00 H +ATOM 1872 HB1 ALA A 255 -40.771 10.703 20.003 1.00 0.00 H +ATOM 1873 HB2 ALA A 255 -40.078 11.649 21.342 1.00 0.00 H +ATOM 1874 HB3 ALA A 255 -39.411 11.810 19.699 1.00 0.00 H +ATOM 1875 N GLU A 256 -37.733 9.558 18.555 1.00 8.88 N +ATOM 1876 CA GLU A 256 -37.444 8.828 17.333 1.00 10.77 C +ATOM 1877 C GLU A 256 -36.698 7.522 17.670 1.00 11.78 C +ATOM 1878 O GLU A 256 -36.991 6.475 17.107 1.00 11.01 O +ATOM 1879 CB GLU A 256 -36.686 9.739 16.358 1.00 12.13 C +ATOM 1880 CG GLU A 256 -37.569 10.908 15.859 1.00 12.54 C +ATOM 1881 CD GLU A 256 -37.086 11.561 14.569 1.00 18.09 C +ATOM 1882 OE1 GLU A 256 -35.880 11.513 14.206 1.00 13.82 O +ATOM 1883 OE2 GLU A 256 -37.920 12.184 13.892 1.00 12.18 O1- +ATOM 1884 H GLU A 256 -37.241 10.423 18.725 1.00 0.00 H +ATOM 1885 HA GLU A 256 -38.394 8.561 16.871 1.00 0.00 H +ATOM 1886 HB2 GLU A 256 -35.799 10.139 16.850 1.00 0.00 H +ATOM 1887 HB3 GLU A 256 -36.344 9.153 15.505 1.00 0.00 H +ATOM 1888 HG2 GLU A 256 -38.592 10.556 15.724 1.00 0.00 H +ATOM 1889 HG3 GLU A 256 -37.643 11.664 16.641 1.00 0.00 H +ATOM 1890 N ILE A 257 -35.770 7.600 18.627 1.00 11.19 N +ATOM 1891 CA ILE A 257 -35.085 6.406 19.157 1.00 11.79 C +ATOM 1892 C ILE A 257 -36.065 5.391 19.790 1.00 11.09 C +ATOM 1893 O ILE A 257 -35.999 4.194 19.510 1.00 10.86 O +ATOM 1894 CB ILE A 257 -33.963 6.765 20.169 1.00 11.20 C +ATOM 1895 CG1 ILE A 257 -32.868 7.628 19.503 1.00 10.96 C +ATOM 1896 CG2 ILE A 257 -33.372 5.483 20.798 1.00 11.12 C +ATOM 1897 CD1 ILE A 257 -31.964 8.369 20.451 1.00 12.81 C +ATOM 1898 H ILE A 257 -35.516 8.498 19.012 1.00 0.00 H +ATOM 1899 HA ILE A 257 -34.608 5.908 18.313 1.00 0.00 H +ATOM 1900 HB ILE A 257 -34.411 7.354 20.969 1.00 0.00 H +ATOM 1901 HG12 ILE A 257 -32.265 7.001 18.846 1.00 0.00 H +ATOM 1902 HG13 ILE A 257 -33.335 8.339 18.821 1.00 0.00 H +ATOM 1903 HG21 ILE A 257 -32.587 5.753 21.505 1.00 0.00 H +ATOM 1904 HG22 ILE A 257 -34.158 4.938 21.320 1.00 0.00 H +ATOM 1905 HG23 ILE A 257 -32.953 4.853 20.014 1.00 0.00 H +ATOM 1906 HD11 ILE A 257 -31.233 8.943 19.882 1.00 0.00 H +ATOM 1907 HD12 ILE A 257 -32.558 9.046 21.066 1.00 0.00 H +ATOM 1908 HD13 ILE A 257 -31.446 7.656 21.092 1.00 0.00 H +ATOM 1909 N VAL A 258 -37.028 5.865 20.576 1.00 11.33 N +ATOM 1910 CA VAL A 258 -38.007 5.007 21.197 1.00 12.69 C +ATOM 1911 C VAL A 258 -38.858 4.324 20.112 1.00 11.57 C +ATOM 1912 O VAL A 258 -39.154 3.122 20.215 1.00 10.35 O +ATOM 1913 CB VAL A 258 -38.869 5.817 22.163 1.00 10.87 C +ATOM 1914 CG1 VAL A 258 -40.146 5.058 22.564 1.00 10.87 C +ATOM 1915 CG2 VAL A 258 -38.054 6.187 23.405 1.00 8.68 C +ATOM 1916 H VAL A 258 -37.091 6.857 20.755 1.00 0.00 H +ATOM 1917 HA VAL A 258 -37.483 4.236 21.763 1.00 0.00 H +ATOM 1918 HB VAL A 258 -39.165 6.739 21.663 1.00 0.00 H +ATOM 1919 HG11 VAL A 258 -40.731 5.668 23.252 1.00 0.00 H +ATOM 1920 HG12 VAL A 258 -40.738 4.846 21.674 1.00 0.00 H +ATOM 1921 HG13 VAL A 258 -39.875 4.121 23.051 1.00 0.00 H +ATOM 1922 HG21 VAL A 258 -38.676 6.765 24.089 1.00 0.00 H +ATOM 1923 HG22 VAL A 258 -37.715 5.278 23.902 1.00 0.00 H +ATOM 1924 HG23 VAL A 258 -37.190 6.782 23.109 1.00 0.00 H +ATOM 1925 N SER A 259 -39.255 5.093 19.092 1.00 11.55 N +ATOM 1926 CA SER A 259 -40.023 4.552 17.964 1.00 10.95 C +ATOM 1927 C SER A 259 -39.288 3.364 17.295 1.00 10.92 C +ATOM 1928 O SER A 259 -39.869 2.301 17.066 1.00 11.10 O +ATOM 1929 CB SER A 259 -40.332 5.674 16.990 1.00 12.64 C +ATOM 1930 OG SER A 259 -41.009 5.146 15.864 1.00 13.83 O +ATOM 1931 H SER A 259 -39.027 6.077 19.083 1.00 0.00 H +ATOM 1932 HA SER A 259 -40.970 4.180 18.354 1.00 0.00 H +ATOM 1933 HB2 SER A 259 -40.964 6.415 17.479 1.00 0.00 H +ATOM 1934 HB3 SER A 259 -39.402 6.142 16.668 1.00 0.00 H +ATOM 1935 HG SER A 259 -41.205 5.855 15.247 1.00 0.00 H +ATOM 1936 N ALA A 260 -37.993 3.558 17.041 1.00 8.94 N +ATOM 1937 CA ALA A 260 -37.124 2.553 16.408 1.00 11.20 C +ATOM 1938 C ALA A 260 -36.970 1.317 17.301 1.00 11.49 C +ATOM 1939 O ALA A 260 -37.099 0.189 16.823 1.00 10.74 O +ATOM 1940 CB ALA A 260 -35.762 3.145 16.083 1.00 13.01 C +ATOM 1941 H ALA A 260 -37.556 4.435 17.286 1.00 0.00 H +ATOM 1942 HA ALA A 260 -37.590 2.241 15.474 1.00 0.00 H +ATOM 1943 HB1 ALA A 260 -35.137 2.384 15.616 1.00 0.00 H +ATOM 1944 HB2 ALA A 260 -35.884 3.985 15.399 1.00 0.00 H +ATOM 1945 HB3 ALA A 260 -35.287 3.491 17.001 1.00 0.00 H +ATOM 1946 N LEU A 261 -36.705 1.538 18.594 1.00 11.26 N +ATOM 1947 CA LEU A 261 -36.496 0.436 19.522 1.00 12.46 C +ATOM 1948 C LEU A 261 -37.774 -0.351 19.787 1.00 10.38 C +ATOM 1949 O LEU A 261 -37.718 -1.581 19.906 1.00 13.62 O +ATOM 1950 CB LEU A 261 -35.893 0.914 20.824 1.00 13.09 C +ATOM 1951 CG LEU A 261 -34.436 1.408 20.788 1.00 12.77 C +ATOM 1952 CD1 LEU A 261 -34.069 2.106 22.093 1.00 21.63 C +ATOM 1953 CD2 LEU A 261 -33.446 0.297 20.510 1.00 17.60 C +ATOM 1954 H LEU A 261 -36.647 2.484 18.943 1.00 0.00 H +ATOM 1955 HA LEU A 261 -35.781 -0.247 19.062 1.00 0.00 H +ATOM 1956 HB2 LEU A 261 -36.525 1.695 21.246 1.00 0.00 H +ATOM 1957 HB3 LEU A 261 -35.986 0.126 21.572 1.00 0.00 H +ATOM 1958 HG LEU A 261 -34.352 2.139 19.984 1.00 0.00 H +ATOM 1959 HD11 LEU A 261 -33.035 2.447 22.045 1.00 0.00 H +ATOM 1960 HD12 LEU A 261 -34.726 2.962 22.245 1.00 0.00 H +ATOM 1961 HD13 LEU A 261 -34.183 1.409 22.923 1.00 0.00 H +ATOM 1962 HD21 LEU A 261 -32.435 0.705 20.497 1.00 0.00 H +ATOM 1963 HD22 LEU A 261 -33.521 -0.461 21.290 1.00 0.00 H +ATOM 1964 HD23 LEU A 261 -33.668 -0.155 19.543 1.00 0.00 H +ATOM 1965 N ASP A 262 -38.905 0.354 19.877 1.00 11.58 N +ATOM 1966 CA ASP A 262 -40.229 -0.282 19.980 1.00 13.12 C +ATOM 1967 C ASP A 262 -40.480 -1.241 18.816 1.00 13.24 C +ATOM 1968 O ASP A 262 -40.916 -2.368 19.024 1.00 16.09 O +ATOM 1969 CB ASP A 262 -41.316 0.795 20.011 1.00 12.34 C +ATOM 1970 CG ASP A 262 -42.737 0.219 20.221 1.00 15.37 C +ATOM 1971 OD1 ASP A 262 -42.920 -0.785 20.939 1.00 20.24 O +ATOM 1972 OD2 ASP A 262 -43.687 0.805 19.678 1.00 22.74 O1- +ATOM 1973 H ASP A 262 -38.872 1.363 19.876 1.00 0.00 H +ATOM 1974 HA ASP A 262 -40.272 -0.847 20.911 1.00 0.00 H +ATOM 1975 HB2 ASP A 262 -41.095 1.510 20.803 1.00 0.00 H +ATOM 1976 HB3 ASP A 262 -41.289 1.363 19.081 1.00 0.00 H +ATOM 1977 N TYR A 263 -40.157 -0.791 17.599 1.00 11.78 N +ATOM 1978 CA TYR A 263 -40.265 -1.589 16.386 1.00 11.25 C +ATOM 1979 C TYR A 263 -39.394 -2.825 16.524 1.00 9.88 C +ATOM 1980 O TYR A 263 -39.870 -3.952 16.354 1.00 11.36 O +ATOM 1981 CB TYR A 263 -39.867 -0.770 15.146 1.00 9.81 C +ATOM 1982 CG TYR A 263 -39.610 -1.551 13.889 1.00 11.29 C +ATOM 1983 CD1 TYR A 263 -40.676 -2.001 13.091 1.00 14.31 C +ATOM 1984 CD2 TYR A 263 -38.315 -1.862 13.487 1.00 14.50 C +ATOM 1985 CE1 TYR A 263 -40.438 -2.720 11.918 1.00 13.52 C +ATOM 1986 CE2 TYR A 263 -38.068 -2.580 12.327 1.00 13.28 C +ATOM 1987 CZ TYR A 263 -39.134 -3.034 11.567 1.00 10.71 C +ATOM 1988 OH TYR A 263 -38.922 -3.727 10.393 1.00 12.92 O +ATOM 1989 H TYR A 263 -39.816 0.153 17.484 1.00 0.00 H +ATOM 1990 HA TYR A 263 -41.301 -1.907 16.272 1.00 0.00 H +ATOM 1991 HB2 TYR A 263 -40.632 -0.018 14.952 1.00 0.00 H +ATOM 1992 HB3 TYR A 263 -38.990 -0.167 15.380 1.00 0.00 H +ATOM 1993 HD1 TYR A 263 -41.695 -1.792 13.383 1.00 0.00 H +ATOM 1994 HD2 TYR A 263 -37.473 -1.543 14.083 1.00 0.00 H +ATOM 1995 HE1 TYR A 263 -41.265 -3.026 11.295 1.00 0.00 H +ATOM 1996 HE2 TYR A 263 -37.052 -2.781 12.023 1.00 0.00 H +ATOM 1997 HH TYR A 263 -37.981 -3.876 10.274 1.00 0.00 H +ATOM 1998 N LEU A 264 -38.104 -2.636 16.809 1.00 11.41 N +ATOM 1999 CA LEU A 264 -37.218 -3.764 16.946 1.00 12.11 C +ATOM 2000 C LEU A 264 -37.697 -4.799 17.959 1.00 14.23 C +ATOM 2001 O LEU A 264 -37.689 -6.005 17.666 1.00 13.36 O +ATOM 2002 CB LEU A 264 -35.787 -3.297 17.266 1.00 13.50 C +ATOM 2003 CG LEU A 264 -35.036 -2.660 16.071 1.00 10.54 C +ATOM 2004 CD1 LEU A 264 -33.652 -2.181 16.551 1.00 10.99 C +ATOM 2005 CD2 LEU A 264 -34.891 -3.553 14.837 1.00 11.02 C +ATOM 2006 H LEU A 264 -37.745 -1.700 16.930 1.00 0.00 H +ATOM 2007 HA LEU A 264 -37.182 -4.260 15.976 1.00 0.00 H +ATOM 2008 HB2 LEU A 264 -35.815 -2.588 18.094 1.00 0.00 H +ATOM 2009 HB3 LEU A 264 -35.209 -4.139 17.648 1.00 0.00 H +ATOM 2010 HG LEU A 264 -35.598 -1.777 15.768 1.00 0.00 H +ATOM 2011 HD11 LEU A 264 -33.114 -1.730 15.717 1.00 0.00 H +ATOM 2012 HD12 LEU A 264 -33.777 -1.443 17.343 1.00 0.00 H +ATOM 2013 HD13 LEU A 264 -33.085 -3.030 16.932 1.00 0.00 H +ATOM 2014 HD21 LEU A 264 -34.351 -3.013 14.059 1.00 0.00 H +ATOM 2015 HD22 LEU A 264 -34.339 -4.454 15.103 1.00 0.00 H +ATOM 2016 HD23 LEU A 264 -35.879 -3.828 14.469 1.00 0.00 H +ATOM 2017 N HID A 265 -38.062 -4.342 19.150 1.00 12.98 N +ATOM 2018 CA HID A 265 -38.525 -5.251 20.197 1.00 12.97 C +ATOM 2019 C HID A 265 -39.835 -5.947 19.801 1.00 12.10 C +ATOM 2020 O HID A 265 -39.924 -7.169 19.895 1.00 14.75 O +ATOM 2021 CB HID A 265 -38.785 -4.513 21.522 1.00 11.92 C +ATOM 2022 CG HID A 265 -37.547 -4.030 22.217 1.00 13.58 C +ATOM 2023 CD2 HID A 265 -36.243 -4.019 21.856 1.00 14.26 C +ATOM 2024 ND1 HID A 265 -37.605 -3.459 23.466 1.00 14.62 N +ATOM 2025 CE1 HID A 265 -36.382 -3.106 23.841 1.00 13.41 C +ATOM 2026 NE2 HID A 265 -35.539 -3.413 22.867 1.00 13.94 N +ATOM 2027 H HID A 265 -38.022 -3.352 19.345 1.00 0.00 H +ATOM 2028 HA HID A 265 -37.761 -6.011 20.364 1.00 0.00 H +ATOM 2029 HB2 HID A 265 -39.450 -3.669 21.340 1.00 0.00 H +ATOM 2030 HB3 HID A 265 -39.346 -5.163 22.194 1.00 0.00 H +ATOM 2031 HD1 HID A 265 -38.493 -3.369 23.940 1.00 0.00 H +ATOM 2032 HD2 HID A 265 -35.941 -4.445 20.911 1.00 0.00 H +ATOM 2033 HE1 HID A 265 -36.224 -2.651 24.807 1.00 0.00 H +ATOM 2034 N SER A 266 -40.808 -5.154 19.370 1.00 14.42 N +ATOM 2035 CA SER A 266 -42.187 -5.608 19.206 1.00 18.45 C +ATOM 2036 C SER A 266 -42.448 -6.310 17.897 1.00 18.28 C +ATOM 2037 O SER A 266 -43.214 -7.278 17.877 1.00 20.67 O +ATOM 2038 CB SER A 266 -43.185 -4.441 19.290 1.00 16.97 C +ATOM 2039 OG SER A 266 -43.170 -3.830 20.561 1.00 29.35 O +ATOM 2040 H SER A 266 -40.610 -4.191 19.139 1.00 0.00 H +ATOM 2041 HA SER A 266 -42.412 -6.304 20.014 1.00 0.00 H +ATOM 2042 HB2 SER A 266 -42.941 -3.700 18.529 1.00 0.00 H +ATOM 2043 HB3 SER A 266 -44.189 -4.806 19.075 1.00 0.00 H +ATOM 2044 HG SER A 266 -43.803 -3.108 20.577 1.00 0.00 H +ATOM 2045 N GLU A 267 -41.859 -5.824 16.809 1.00 16.76 N +ATOM 2046 CA GLU A 267 -42.119 -6.364 15.480 1.00 18.78 C +ATOM 2047 C GLU A 267 -41.043 -7.303 14.996 1.00 19.58 C +ATOM 2048 O GLU A 267 -41.301 -8.168 14.168 1.00 24.54 O +ATOM 2049 CB GLU A 267 -42.327 -5.230 14.488 1.00 18.61 C +ATOM 2050 CG GLU A 267 -43.617 -4.467 14.774 1.00 25.64 C +ATOM 2051 CD GLU A 267 -43.938 -3.424 13.727 1.00 27.20 C +ATOM 2052 OE1 GLU A 267 -44.313 -2.300 14.114 1.00 35.80 O +ATOM 2053 OE2 GLU A 267 -43.804 -3.713 12.517 1.00 29.74 O1- +ATOM 2054 H GLU A 267 -41.208 -5.056 16.888 1.00 0.00 H +ATOM 2055 HA GLU A 267 -43.049 -6.930 15.532 1.00 0.00 H +ATOM 2056 HB2 GLU A 267 -41.481 -4.544 14.538 1.00 0.00 H +ATOM 2057 HB3 GLU A 267 -42.362 -5.635 13.476 1.00 0.00 H +ATOM 2058 HG2 GLU A 267 -44.445 -5.172 14.849 1.00 0.00 H +ATOM 2059 HG3 GLU A 267 -43.546 -3.989 15.751 1.00 0.00 H +ATOM 2060 N LYS A 268 -39.826 -7.141 15.485 1.00 17.85 N +ATOM 2061 CA LYS A 268 -38.734 -7.964 14.999 1.00 16.29 C +ATOM 2062 C LYS A 268 -38.126 -8.915 16.047 1.00 15.06 C +ATOM 2063 O LYS A 268 -37.318 -9.770 15.687 1.00 15.34 O +ATOM 2064 CB LYS A 268 -37.646 -7.068 14.358 1.00 16.14 C +ATOM 2065 CG LYS A 268 -38.092 -6.382 13.048 1.00 21.26 C +ATOM 2066 CD LYS A 268 -38.086 -7.358 11.830 1.00 21.90 C +ATOM 2067 CE LYS A 268 -39.172 -7.030 10.832 1.00 22.58 C +ATOM 2068 NZ LYS A 268 -39.307 -8.036 9.745 1.00 27.45 N1+ +ATOM 2069 H LYS A 268 -39.656 -6.445 16.197 1.00 0.00 H +ATOM 2070 HA LYS A 268 -39.139 -8.588 14.203 1.00 0.00 H +ATOM 2071 HB2 LYS A 268 -37.334 -6.309 15.075 1.00 0.00 H +ATOM 2072 HB3 LYS A 268 -36.753 -7.663 14.168 1.00 0.00 H +ATOM 2073 HG2 LYS A 268 -39.093 -5.970 13.177 1.00 0.00 H +ATOM 2074 HG3 LYS A 268 -37.435 -5.538 12.839 1.00 0.00 H +ATOM 2075 HD2 LYS A 268 -37.115 -7.316 11.336 1.00 0.00 H +ATOM 2076 HD3 LYS A 268 -38.216 -8.381 12.184 1.00 0.00 H +ATOM 2077 HE2 LYS A 268 -40.124 -6.931 11.353 1.00 0.00 H +ATOM 2078 HE3 LYS A 268 -38.978 -6.050 10.396 1.00 0.00 H +ATOM 2079 HZ1 LYS A 268 -40.047 -7.756 9.117 1.00 0.00 H +ATOM 2080 HZ2 LYS A 268 -38.438 -8.099 9.234 1.00 0.00 H +ATOM 2081 HZ3 LYS A 268 -39.528 -8.937 10.145 1.00 0.00 H +ATOM 2082 N ASN A 269 -38.493 -8.770 17.329 1.00 14.76 N +ATOM 2083 CA ASN A 269 -37.937 -9.595 18.407 1.00 16.02 C +ATOM 2084 C ASN A 269 -36.415 -9.465 18.470 1.00 15.75 C +ATOM 2085 O ASN A 269 -35.700 -10.429 18.633 1.00 14.53 O +ATOM 2086 CB ASN A 269 -38.377 -11.073 18.273 1.00 18.03 C +ATOM 2087 CG ASN A 269 -39.883 -11.246 18.422 1.00 19.98 C +ATOM 2088 ND2 ASN A 269 -40.426 -12.259 17.748 1.00 34.93 N +ATOM 2089 OD1 ASN A 269 -40.543 -10.507 19.150 1.00 28.48 O +ATOM 2090 H ASN A 269 -39.177 -8.072 17.583 1.00 0.00 H +ATOM 2091 HA ASN A 269 -38.337 -9.218 19.348 1.00 0.00 H +ATOM 2092 HB2 ASN A 269 -38.062 -11.458 17.303 1.00 0.00 H +ATOM 2093 HB3 ASN A 269 -37.867 -11.673 19.027 1.00 0.00 H +ATOM 2094 HD21 ASN A 269 -39.843 -12.858 17.181 1.00 0.00 H +ATOM 2095 HD22 ASN A 269 -41.420 -12.428 17.804 1.00 0.00 H +ATOM 2096 N VAL A 270 -35.948 -8.231 18.300 1.00 12.39 N +ATOM 2097 CA VAL A 270 -34.540 -7.884 18.274 1.00 14.29 C +ATOM 2098 C VAL A 270 -34.262 -6.939 19.441 1.00 14.01 C +ATOM 2099 O VAL A 270 -34.978 -5.951 19.656 1.00 14.02 O +ATOM 2100 CB VAL A 270 -34.138 -7.165 16.954 1.00 11.78 C +ATOM 2101 CG1 VAL A 270 -32.735 -6.528 17.072 1.00 11.76 C +ATOM 2102 CG2 VAL A 270 -34.168 -8.113 15.753 1.00 14.34 C +ATOM 2103 H VAL A 270 -36.590 -7.461 18.178 1.00 0.00 H +ATOM 2104 HA VAL A 270 -33.942 -8.788 18.390 1.00 0.00 H +ATOM 2105 HB VAL A 270 -34.857 -6.366 16.772 1.00 0.00 H +ATOM 2106 HG11 VAL A 270 -32.480 -6.033 16.135 1.00 0.00 H +ATOM 2107 HG12 VAL A 270 -32.734 -5.797 17.881 1.00 0.00 H +ATOM 2108 HG13 VAL A 270 -32.000 -7.304 17.284 1.00 0.00 H +ATOM 2109 HG21 VAL A 270 -33.881 -7.569 14.853 1.00 0.00 H +ATOM 2110 HG22 VAL A 270 -33.470 -8.933 15.920 1.00 0.00 H +ATOM 2111 HG23 VAL A 270 -35.175 -8.512 15.630 1.00 0.00 H +ATOM 2112 N VAL A 271 -33.187 -7.229 20.150 1.00 11.31 N +ATOM 2113 CA VAL A 271 -32.627 -6.309 21.147 1.00 13.01 C +ATOM 2114 C VAL A 271 -31.329 -5.722 20.578 1.00 11.82 C +ATOM 2115 O VAL A 271 -30.437 -6.446 20.137 1.00 13.01 O +ATOM 2116 CB VAL A 271 -32.418 -7.013 22.506 1.00 11.75 C +ATOM 2117 CG1 VAL A 271 -31.889 -6.059 23.589 1.00 11.12 C +ATOM 2118 CG2 VAL A 271 -33.708 -7.690 22.977 1.00 15.46 C +ATOM 2119 H VAL A 271 -32.717 -8.113 20.016 1.00 0.00 H +ATOM 2120 HA VAL A 271 -33.335 -5.493 21.292 1.00 0.00 H +ATOM 2121 HB VAL A 271 -31.671 -7.793 22.361 1.00 0.00 H +ATOM 2122 HG11 VAL A 271 -31.760 -6.605 24.524 1.00 0.00 H +ATOM 2123 HG12 VAL A 271 -30.930 -5.647 23.274 1.00 0.00 H +ATOM 2124 HG13 VAL A 271 -32.601 -5.247 23.738 1.00 0.00 H +ATOM 2125 HG21 VAL A 271 -33.534 -8.178 23.936 1.00 0.00 H +ATOM 2126 HG22 VAL A 271 -34.492 -6.941 23.088 1.00 0.00 H +ATOM 2127 HG23 VAL A 271 -34.018 -8.433 22.243 1.00 0.00 H +ATOM 2128 N TYR A 272 -31.227 -4.387 20.603 1.00 10.13 N +ATOM 2129 CA TYR A 272 -30.120 -3.672 19.953 1.00 9.68 C +ATOM 2130 C TYR A 272 -28.756 -3.767 20.669 1.00 9.12 C +ATOM 2131 O TYR A 272 -27.741 -3.988 20.001 1.00 12.45 O +ATOM 2132 CB TYR A 272 -30.567 -2.219 19.673 1.00 12.94 C +ATOM 2133 CG TYR A 272 -29.529 -1.402 18.959 1.00 11.63 C +ATOM 2134 CD1 TYR A 272 -29.300 -1.543 17.577 1.00 9.15 C +ATOM 2135 CD2 TYR A 272 -28.752 -0.490 19.664 1.00 16.13 C +ATOM 2136 CE1 TYR A 272 -28.282 -0.799 16.931 1.00 13.06 C +ATOM 2137 CE2 TYR A 272 -27.763 0.247 19.034 1.00 10.09 C +ATOM 2138 CZ TYR A 272 -27.533 0.098 17.664 1.00 12.20 C +ATOM 2139 OH TYR A 272 -26.540 0.837 17.083 1.00 13.29 O +ATOM 2140 H TYR A 272 -31.926 -3.836 21.080 1.00 0.00 H +ATOM 2141 HA TYR A 272 -29.985 -4.142 18.979 1.00 0.00 H +ATOM 2142 HB2 TYR A 272 -31.486 -2.230 19.086 1.00 0.00 H +ATOM 2143 HB3 TYR A 272 -30.826 -1.733 20.613 1.00 0.00 H +ATOM 2144 HD1 TYR A 272 -29.904 -2.225 16.996 1.00 0.00 H +ATOM 2145 HD2 TYR A 272 -28.915 -0.346 20.722 1.00 0.00 H +ATOM 2146 HE1 TYR A 272 -28.099 -0.937 15.876 1.00 0.00 H +ATOM 2147 HE2 TYR A 272 -27.163 0.943 19.602 1.00 0.00 H +ATOM 2148 HH TYR A 272 -26.132 1.401 17.744 1.00 0.00 H +ATOM 2149 N ARG A 273 -28.763 -3.562 22.001 1.00 10.41 N +ATOM 2150 CA ARG A 273 -27.638 -3.750 22.942 1.00 11.73 C +ATOM 2151 C ARG A 273 -26.488 -2.769 22.845 1.00 12.25 C +ATOM 2152 O ARG A 273 -25.649 -2.764 23.729 1.00 14.29 O +ATOM 2153 CB ARG A 273 -27.105 -5.179 22.862 1.00 12.16 C +ATOM 2154 CG ARG A 273 -28.143 -6.208 23.183 1.00 12.62 C +ATOM 2155 CD ARG A 273 -27.507 -7.547 23.601 1.00 14.05 C +ATOM 2156 NE ARG A 273 -26.909 -8.222 22.465 1.00 13.24 N +ATOM 2157 CZ ARG A 273 -26.500 -9.489 22.441 1.00 18.20 C +ATOM 2158 NH1 ARG A 273 -26.625 -10.246 23.527 1.00 20.56 N1+ +ATOM 2159 NH2 ARG A 273 -26.017 -10.016 21.327 1.00 18.83 N1+ +ATOM 2160 H ARG A 273 -29.605 -3.244 22.459 1.00 0.00 H +ATOM 2161 HA ARG A 273 -28.054 -3.635 23.943 1.00 0.00 H +ATOM 2162 HB2 ARG A 273 -26.710 -5.363 21.863 1.00 0.00 H +ATOM 2163 HB3 ARG A 273 -26.262 -5.290 23.544 1.00 0.00 H +ATOM 2164 HG2 ARG A 273 -28.780 -5.842 23.988 1.00 0.00 H +ATOM 2165 HG3 ARG A 273 -28.780 -6.365 22.312 1.00 0.00 H +ATOM 2166 HD2 ARG A 273 -26.744 -7.366 24.358 1.00 0.00 H +ATOM 2167 HD3 ARG A 273 -28.269 -8.188 24.044 1.00 0.00 H +ATOM 2168 HE ARG A 273 -26.813 -7.645 21.642 1.00 0.00 H +ATOM 2169 HH11 ARG A 273 -27.030 -9.860 24.368 1.00 0.00 H +ATOM 2170 HH12 ARG A 273 -26.315 -11.207 23.511 1.00 0.00 H +ATOM 2171 HH21 ARG A 273 -25.957 -9.456 20.488 1.00 0.00 H +ATOM 2172 HH22 ARG A 273 -25.709 -10.978 21.316 1.00 0.00 H +ATOM 2173 N ASP A 274 -26.429 -1.935 21.819 1.00 12.82 N +ATOM 2174 CA ASP A 274 -25.263 -1.048 21.638 1.00 14.30 C +ATOM 2175 C ASP A 274 -25.604 0.438 21.440 1.00 12.64 C +ATOM 2176 O ASP A 274 -24.908 1.172 20.730 1.00 11.61 O +ATOM 2177 CB ASP A 274 -24.386 -1.539 20.487 1.00 16.01 C +ATOM 2178 CG ASP A 274 -22.945 -1.007 20.570 1.00 18.49 C +ATOM 2179 OD1 ASP A 274 -22.458 -0.683 21.677 1.00 20.93 O +ATOM 2180 OD2 ASP A 274 -22.301 -0.930 19.508 1.00 24.39 O1- +ATOM 2181 H ASP A 274 -27.186 -1.901 21.151 1.00 0.00 H +ATOM 2182 HA ASP A 274 -24.665 -1.119 22.547 1.00 0.00 H +ATOM 2183 HB2 ASP A 274 -24.370 -2.629 20.483 1.00 0.00 H +ATOM 2184 HB3 ASP A 274 -24.830 -1.236 19.539 1.00 0.00 H +ATOM 2185 N LEU A 275 -26.643 0.914 22.106 1.00 13.60 N +ATOM 2186 CA LEU A 275 -27.012 2.314 21.949 1.00 11.28 C +ATOM 2187 C LEU A 275 -25.852 3.197 22.491 1.00 11.74 C +ATOM 2188 O LEU A 275 -25.357 2.991 23.606 1.00 14.19 O +ATOM 2189 CB LEU A 275 -28.351 2.609 22.645 1.00 15.96 C +ATOM 2190 CG LEU A 275 -29.244 3.673 22.003 1.00 19.49 C +ATOM 2191 CD1 LEU A 275 -29.880 3.231 20.700 1.00 19.25 C +ATOM 2192 CD2 LEU A 275 -30.310 4.096 23.017 1.00 21.89 C +ATOM 2193 H LEU A 275 -27.172 0.308 22.717 1.00 0.00 H +ATOM 2194 HA LEU A 275 -27.128 2.519 20.885 1.00 0.00 H +ATOM 2195 HB2 LEU A 275 -28.914 1.681 22.746 1.00 0.00 H +ATOM 2196 HB3 LEU A 275 -28.163 2.878 23.684 1.00 0.00 H +ATOM 2197 HG LEU A 275 -28.623 4.544 21.791 1.00 0.00 H +ATOM 2198 HD11 LEU A 275 -30.498 4.037 20.305 1.00 0.00 H +ATOM 2199 HD12 LEU A 275 -29.100 2.985 19.979 1.00 0.00 H +ATOM 2200 HD13 LEU A 275 -30.500 2.352 20.877 1.00 0.00 H +ATOM 2201 HD21 LEU A 275 -30.954 4.855 22.573 1.00 0.00 H +ATOM 2202 HD22 LEU A 275 -30.909 3.230 23.297 1.00 0.00 H +ATOM 2203 HD23 LEU A 275 -29.826 4.505 23.904 1.00 0.00 H +ATOM 2204 N LYS A 276 -25.403 4.143 21.677 1.00 13.60 N +ATOM 2205 CA LYS A 276 -24.391 5.124 22.045 1.00 12.65 C +ATOM 2206 C LYS A 276 -24.392 6.238 21.037 1.00 13.36 C +ATOM 2207 O LYS A 276 -24.922 6.076 19.930 1.00 10.31 O +ATOM 2208 CB LYS A 276 -23.006 4.478 22.124 1.00 11.50 C +ATOM 2209 CG LYS A 276 -22.501 3.840 20.866 1.00 11.43 C +ATOM 2210 CD LYS A 276 -21.063 3.371 21.069 1.00 16.93 C +ATOM 2211 CE LYS A 276 -20.631 2.395 20.035 1.00 15.93 C +ATOM 2212 NZ LYS A 276 -19.227 2.002 20.438 1.00 16.37 N1+ +ATOM 2213 H LYS A 276 -25.765 4.214 20.737 1.00 0.00 H +ATOM 2214 HA LYS A 276 -24.642 5.536 23.023 1.00 0.00 H +ATOM 2215 HB2 LYS A 276 -22.283 5.218 22.467 1.00 0.00 H +ATOM 2216 HB3 LYS A 276 -22.998 3.742 22.928 1.00 0.00 H +ATOM 2217 HG2 LYS A 276 -23.129 2.986 20.615 1.00 0.00 H +ATOM 2218 HG3 LYS A 276 -22.535 4.565 20.052 1.00 0.00 H +ATOM 2219 HD2 LYS A 276 -20.396 4.233 21.055 1.00 0.00 H +ATOM 2220 HD3 LYS A 276 -20.965 2.920 22.056 1.00 0.00 H +ATOM 2221 HE2 LYS A 276 -21.277 1.518 20.074 1.00 0.00 H +ATOM 2222 HE3 LYS A 276 -20.603 2.887 19.063 1.00 0.00 H +ATOM 2223 HZ1 LYS A 276 -18.861 1.333 19.776 1.00 0.00 H +ATOM 2224 HZ2 LYS A 276 -18.637 2.822 20.448 1.00 0.00 H +ATOM 2225 HZ3 LYS A 276 -19.244 1.588 21.359 1.00 0.00 H +ATOM 2226 N LEU A 277 -23.771 7.362 21.383 1.00 12.65 N +ATOM 2227 CA LEU A 277 -23.869 8.561 20.523 1.00 13.89 C +ATOM 2228 C LEU A 277 -23.253 8.394 19.130 1.00 11.12 C +ATOM 2229 O LEU A 277 -23.707 9.029 18.178 1.00 12.33 O +ATOM 2230 CB LEU A 277 -23.292 9.784 21.237 1.00 13.54 C +ATOM 2231 CG LEU A 277 -24.063 10.230 22.482 1.00 11.90 C +ATOM 2232 CD1 LEU A 277 -23.251 11.292 23.217 1.00 15.58 C +ATOM 2233 CD2 LEU A 277 -25.456 10.745 22.175 1.00 13.72 C +ATOM 2234 H LEU A 277 -23.230 7.398 22.235 1.00 0.00 H +ATOM 2235 HA LEU A 277 -24.931 8.756 20.375 1.00 0.00 H +ATOM 2236 HB2 LEU A 277 -22.254 9.588 21.507 1.00 0.00 H +ATOM 2237 HB3 LEU A 277 -23.229 10.615 20.535 1.00 0.00 H +ATOM 2238 HG LEU A 277 -24.162 9.368 23.142 1.00 0.00 H +ATOM 2239 HD11 LEU A 277 -23.794 11.615 24.105 1.00 0.00 H +ATOM 2240 HD12 LEU A 277 -22.288 10.875 23.512 1.00 0.00 H +ATOM 2241 HD13 LEU A 277 -23.090 12.146 22.560 1.00 0.00 H +ATOM 2242 HD21 LEU A 277 -25.946 11.044 23.102 1.00 0.00 H +ATOM 2243 HD22 LEU A 277 -25.387 11.604 21.508 1.00 0.00 H +ATOM 2244 HD23 LEU A 277 -26.037 9.958 21.695 1.00 0.00 H +ATOM 2245 N GLU A 278 -22.233 7.548 19.020 1.00 11.93 N +ATOM 2246 CA GLU A 278 -21.617 7.254 17.729 1.00 13.01 C +ATOM 2247 C GLU A 278 -22.548 6.490 16.772 1.00 12.68 C +ATOM 2248 O GLU A 278 -22.399 6.589 15.553 1.00 14.47 O +ATOM 2249 CB GLU A 278 -20.325 6.465 17.933 1.00 15.56 C +ATOM 2250 CG GLU A 278 -19.223 7.277 18.604 1.00 16.42 C +ATOM 2251 CD GLU A 278 -19.168 7.136 20.110 1.00 21.97 C +ATOM 2252 OE1 GLU A 278 -20.189 6.818 20.749 1.00 14.44 O +ATOM 2253 OE2 GLU A 278 -18.084 7.373 20.659 1.00 26.42 O1- +ATOM 2254 H GLU A 278 -21.865 7.091 19.842 1.00 0.00 H +ATOM 2255 HA GLU A 278 -21.359 8.202 17.258 1.00 0.00 H +ATOM 2256 HB2 GLU A 278 -20.534 5.577 18.529 1.00 0.00 H +ATOM 2257 HB3 GLU A 278 -19.969 6.098 16.970 1.00 0.00 H +ATOM 2258 HG2 GLU A 278 -18.259 6.997 18.180 1.00 0.00 H +ATOM 2259 HG3 GLU A 278 -19.340 8.329 18.344 1.00 0.00 H +ATOM 2260 N ASN A 279 -23.459 5.698 17.319 1.00 11.38 N +ATOM 2261 CA ASN A 279 -24.378 4.860 16.535 1.00 12.60 C +ATOM 2262 C ASN A 279 -25.718 5.562 16.241 1.00 11.71 C +ATOM 2263 O ASN A 279 -26.617 4.946 15.662 1.00 13.59 O +ATOM 2264 CB ASN A 279 -24.658 3.545 17.269 1.00 14.75 C +ATOM 2265 CG ASN A 279 -23.444 2.600 17.333 1.00 16.86 C +ATOM 2266 ND2 ASN A 279 -23.545 1.573 18.194 1.00 13.70 N +ATOM 2267 OD1 ASN A 279 -22.449 2.762 16.588 1.00 14.66 O +ATOM 2268 H ASN A 279 -23.548 5.649 18.324 1.00 0.00 H +ATOM 2269 HA ASN A 279 -23.899 4.625 15.584 1.00 0.00 H +ATOM 2270 HB2 ASN A 279 -25.001 3.762 18.281 1.00 0.00 H +ATOM 2271 HB3 ASN A 279 -25.490 3.032 16.787 1.00 0.00 H +ATOM 2272 HD21 ASN A 279 -24.381 1.460 18.749 1.00 0.00 H +ATOM 2273 HD22 ASN A 279 -22.785 0.915 18.286 1.00 0.00 H +ATOM 2274 N LEU A 280 -25.856 6.815 16.662 1.00 10.41 N +ATOM 2275 CA LEU A 280 -27.077 7.610 16.436 1.00 10.43 C +ATOM 2276 C LEU A 280 -26.711 8.733 15.488 1.00 13.74 C +ATOM 2277 O LEU A 280 -26.012 9.678 15.867 1.00 14.51 O +ATOM 2278 CB LEU A 280 -27.584 8.188 17.749 1.00 11.29 C +ATOM 2279 CG LEU A 280 -28.046 7.140 18.757 1.00 9.62 C +ATOM 2280 CD1 LEU A 280 -28.261 7.694 20.164 1.00 15.93 C +ATOM 2281 CD2 LEU A 280 -29.339 6.489 18.244 1.00 13.88 C +ATOM 2282 H LEU A 280 -25.103 7.265 17.162 1.00 0.00 H +ATOM 2283 HA LEU A 280 -27.847 6.984 15.986 1.00 0.00 H +ATOM 2284 HB2 LEU A 280 -26.804 8.802 18.198 1.00 0.00 H +ATOM 2285 HB3 LEU A 280 -28.401 8.880 17.547 1.00 0.00 H +ATOM 2286 HG LEU A 280 -27.280 6.367 18.813 1.00 0.00 H +ATOM 2287 HD11 LEU A 280 -28.589 6.891 20.825 1.00 0.00 H +ATOM 2288 HD12 LEU A 280 -27.326 8.113 20.537 1.00 0.00 H +ATOM 2289 HD13 LEU A 280 -29.022 8.474 20.136 1.00 0.00 H +ATOM 2290 HD21 LEU A 280 -29.677 5.738 18.958 1.00 0.00 H +ATOM 2291 HD22 LEU A 280 -30.109 7.252 18.128 1.00 0.00 H +ATOM 2292 HD23 LEU A 280 -29.150 6.014 17.281 1.00 0.00 H +ATOM 2293 N MET A 281 -27.144 8.606 14.237 1.00 8.92 N +ATOM 2294 CA MET A 281 -26.760 9.553 13.201 1.00 11.29 C +ATOM 2295 C MET A 281 -27.979 10.384 12.804 1.00 11.62 C +ATOM 2296 O MET A 281 -29.100 10.137 13.283 1.00 10.14 O +ATOM 2297 CB MET A 281 -26.108 8.840 12.004 1.00 13.74 C +ATOM 2298 CG MET A 281 -24.798 8.098 12.407 1.00 14.69 C +ATOM 2299 SD MET A 281 -23.808 7.614 11.025 1.00 14.90 S +ATOM 2300 CE MET A 281 -23.169 9.213 10.580 1.00 8.83 C +ATOM 2301 H MET A 281 -27.753 7.840 13.989 1.00 0.00 H +ATOM 2302 HA MET A 281 -26.020 10.231 13.628 1.00 0.00 H +ATOM 2303 HB2 MET A 281 -26.813 8.126 11.579 1.00 0.00 H +ATOM 2304 HB3 MET A 281 -25.887 9.569 11.224 1.00 0.00 H +ATOM 2305 HG2 MET A 281 -24.210 8.735 13.068 1.00 0.00 H +ATOM 2306 HG3 MET A 281 -25.048 7.217 12.999 1.00 0.00 H +ATOM 2307 HE1 MET A 281 -22.512 9.115 9.716 1.00 0.00 H +ATOM 2308 HE2 MET A 281 -23.996 9.880 10.334 1.00 0.00 H +ATOM 2309 HE3 MET A 281 -22.607 9.626 11.417 1.00 0.00 H +ATOM 2310 N LEU A 282 -27.727 11.410 12.000 1.00 10.92 N +ATOM 2311 CA LEU A 282 -28.778 12.282 11.467 1.00 10.95 C +ATOM 2312 C LEU A 282 -28.767 12.192 9.962 1.00 13.60 C +ATOM 2313 O LEU A 282 -27.700 12.239 9.325 1.00 11.33 O +ATOM 2314 CB LEU A 282 -28.595 13.746 11.915 1.00 11.22 C +ATOM 2315 CG LEU A 282 -28.608 14.017 13.429 1.00 11.30 C +ATOM 2316 CD1 LEU A 282 -28.367 15.488 13.695 1.00 17.99 C +ATOM 2317 CD2 LEU A 282 -29.928 13.533 14.030 1.00 15.66 C +ATOM 2318 H LEU A 282 -26.776 11.618 11.730 1.00 0.00 H +ATOM 2319 HA LEU A 282 -29.742 11.926 11.829 1.00 0.00 H +ATOM 2320 HB2 LEU A 282 -27.672 14.139 11.488 1.00 0.00 H +ATOM 2321 HB3 LEU A 282 -29.351 14.366 11.433 1.00 0.00 H +ATOM 2322 HG LEU A 282 -27.796 13.450 13.885 1.00 0.00 H +ATOM 2323 HD11 LEU A 282 -28.378 15.670 14.770 1.00 0.00 H +ATOM 2324 HD12 LEU A 282 -27.398 15.777 13.288 1.00 0.00 H +ATOM 2325 HD13 LEU A 282 -29.151 16.077 13.219 1.00 0.00 H +ATOM 2326 HD21 LEU A 282 -29.932 13.727 15.103 1.00 0.00 H +ATOM 2327 HD22 LEU A 282 -30.757 14.064 13.562 1.00 0.00 H +ATOM 2328 HD23 LEU A 282 -30.037 12.463 13.855 1.00 0.00 H +ATOM 2329 N ASP A 283 -29.953 12.045 9.382 1.00 11.28 N +ATOM 2330 CA ASP A 283 -30.112 12.107 7.926 1.00 10.61 C +ATOM 2331 C ASP A 283 -30.038 13.563 7.467 1.00 10.29 C +ATOM 2332 O ASP A 283 -29.942 14.465 8.286 1.00 12.53 O +ATOM 2333 CB ASP A 283 -31.359 11.340 7.440 1.00 14.04 C +ATOM 2334 CG ASP A 283 -32.695 11.972 7.843 1.00 12.96 C +ATOM 2335 OD1 ASP A 283 -32.760 13.172 8.201 1.00 13.72 O +ATOM 2336 OD2 ASP A 283 -33.721 11.229 7.698 1.00 17.29 O1- +ATOM 2337 H ASP A 283 -30.775 11.886 9.947 1.00 0.00 H +ATOM 2338 HA ASP A 283 -29.248 11.601 7.496 1.00 0.00 H +ATOM 2339 HB2 ASP A 283 -31.320 11.239 6.355 1.00 0.00 H +ATOM 2340 HB3 ASP A 283 -31.319 10.315 7.809 1.00 0.00 H +ATOM 2341 N LYS A 284 -30.096 13.792 6.162 1.00 10.62 N +ATOM 2342 CA LYS A 284 -29.981 15.155 5.596 1.00 12.94 C +ATOM 2343 C LYS A 284 -31.075 16.116 6.073 1.00 12.13 C +ATOM 2344 O LYS A 284 -30.891 17.328 6.035 1.00 15.60 O +ATOM 2345 CB LYS A 284 -29.957 15.112 4.059 1.00 13.14 C +ATOM 2346 CG LYS A 284 -31.259 14.623 3.405 1.00 15.07 C +ATOM 2347 CD LYS A 284 -31.207 14.640 1.868 1.00 23.32 C +ATOM 2348 CE LYS A 284 -30.191 13.658 1.268 1.00 34.61 C +ATOM 2349 NZ LYS A 284 -30.409 12.241 1.672 1.00 43.99 N1+ +ATOM 2350 H LYS A 284 -30.222 13.023 5.519 1.00 0.00 H +ATOM 2351 HA LYS A 284 -29.025 15.563 5.924 1.00 0.00 H +ATOM 2352 HB2 LYS A 284 -29.710 16.101 3.674 1.00 0.00 H +ATOM 2353 HB3 LYS A 284 -29.130 14.484 3.729 1.00 0.00 H +ATOM 2354 HG2 LYS A 284 -31.479 13.612 3.749 1.00 0.00 H +ATOM 2355 HG3 LYS A 284 -32.090 15.241 3.746 1.00 0.00 H +ATOM 2356 HD2 LYS A 284 -32.198 14.422 1.470 1.00 0.00 H +ATOM 2357 HD3 LYS A 284 -30.980 15.649 1.525 1.00 0.00 H +ATOM 2358 HE2 LYS A 284 -30.216 13.732 0.181 1.00 0.00 H +ATOM 2359 HE3 LYS A 284 -29.183 13.963 1.550 1.00 0.00 H +ATOM 2360 HZ1 LYS A 284 -29.707 11.656 1.242 1.00 0.00 H +ATOM 2361 HZ2 LYS A 284 -30.342 12.163 2.677 1.00 0.00 H +ATOM 2362 HZ3 LYS A 284 -31.326 11.942 1.372 1.00 0.00 H +ATOM 2363 N ASP A 285 -32.204 15.565 6.515 1.00 13.96 N +ATOM 2364 CA ASP A 285 -33.340 16.341 7.007 1.00 14.13 C +ATOM 2365 C ASP A 285 -33.315 16.569 8.531 1.00 14.31 C +ATOM 2366 O ASP A 285 -34.174 17.286 9.065 1.00 17.78 O +ATOM 2367 CB ASP A 285 -34.624 15.612 6.643 1.00 13.03 C +ATOM 2368 CG ASP A 285 -34.770 15.376 5.146 1.00 21.85 C +ATOM 2369 OD1 ASP A 285 -34.512 16.322 4.374 1.00 24.32 O +ATOM 2370 OD2 ASP A 285 -35.136 14.246 4.744 1.00 28.12 O1- +ATOM 2371 H ASP A 285 -32.307 14.560 6.521 1.00 0.00 H +ATOM 2372 HA ASP A 285 -33.339 17.311 6.511 1.00 0.00 H +ATOM 2373 HB2 ASP A 285 -34.658 14.656 7.165 1.00 0.00 H +ATOM 2374 HB3 ASP A 285 -35.479 16.183 7.005 1.00 0.00 H +ATOM 2375 N GLY A 286 -32.376 15.935 9.251 1.00 10.46 N +ATOM 2376 CA GLY A 286 -32.288 16.060 10.709 1.00 10.40 C +ATOM 2377 C GLY A 286 -33.000 15.005 11.569 1.00 9.96 C +ATOM 2378 O GLY A 286 -33.057 15.145 12.801 1.00 11.94 O +ATOM 2379 H GLY A 286 -31.697 15.347 8.789 1.00 0.00 H +ATOM 2380 HA2 GLY A 286 -31.239 16.109 11.000 1.00 0.00 H +ATOM 2381 HA3 GLY A 286 -32.631 17.052 11.004 1.00 0.00 H +ATOM 2382 N HID A 287 -33.518 13.963 10.930 1.00 10.74 N +ATOM 2383 CA HID A 287 -34.121 12.823 11.602 1.00 9.92 C +ATOM 2384 C HID A 287 -33.083 11.755 11.942 1.00 10.89 C +ATOM 2385 O HID A 287 -32.106 11.603 11.238 1.00 11.98 O +ATOM 2386 CB HID A 287 -35.266 12.230 10.744 1.00 11.71 C +ATOM 2387 CG HID A 287 -36.471 13.126 10.611 1.00 10.23 C +ATOM 2388 CD2 HID A 287 -36.889 13.905 9.583 1.00 10.87 C +ATOM 2389 ND1 HID A 287 -37.405 13.279 11.611 1.00 10.60 N +ATOM 2390 CE1 HID A 287 -38.337 14.132 11.217 1.00 9.78 C +ATOM 2391 NE2 HID A 287 -38.042 14.535 9.994 1.00 9.38 N +ATOM 2392 H HID A 287 -33.507 13.933 9.921 1.00 0.00 H +ATOM 2393 HA HID A 287 -34.554 13.178 12.537 1.00 0.00 H +ATOM 2394 HB2 HID A 287 -34.885 11.987 9.752 1.00 0.00 H +ATOM 2395 HB3 HID A 287 -35.573 11.272 11.164 1.00 0.00 H +ATOM 2396 HD1 HID A 287 -37.304 12.772 12.478 1.00 0.00 H +ATOM 2397 HD2 HID A 287 -36.325 13.933 8.663 1.00 0.00 H +ATOM 2398 HE1 HID A 287 -39.156 14.379 11.876 1.00 0.00 H +ATOM 2399 N ILE A 288 -33.310 11.035 13.032 1.00 10.91 N +ATOM 2400 CA ILE A 288 -32.423 9.975 13.516 1.00 8.07 C +ATOM 2401 C ILE A 288 -32.297 8.820 12.506 1.00 10.83 C +ATOM 2402 O ILE A 288 -33.276 8.380 11.865 1.00 11.58 O +ATOM 2403 CB ILE A 288 -32.978 9.404 14.860 1.00 10.68 C +ATOM 2404 CG1 ILE A 288 -32.811 10.426 15.983 1.00 15.01 C +ATOM 2405 CG2 ILE A 288 -32.281 8.092 15.250 1.00 10.18 C +ATOM 2406 CD1 ILE A 288 -31.331 10.654 16.439 1.00 10.93 C +ATOM 2407 H ILE A 288 -34.138 11.204 13.585 1.00 0.00 H +ATOM 2408 HA ILE A 288 -31.434 10.397 13.694 1.00 0.00 H +ATOM 2409 HB ILE A 288 -34.042 9.203 14.734 1.00 0.00 H +ATOM 2410 HG12 ILE A 288 -33.244 11.377 15.673 1.00 0.00 H +ATOM 2411 HG13 ILE A 288 -33.410 10.121 16.841 1.00 0.00 H +ATOM 2412 HG21 ILE A 288 -32.694 7.726 16.190 1.00 0.00 H +ATOM 2413 HG22 ILE A 288 -32.442 7.349 14.469 1.00 0.00 H +ATOM 2414 HG23 ILE A 288 -31.212 8.269 15.368 1.00 0.00 H +ATOM 2415 HD11 ILE A 288 -31.307 11.394 17.239 1.00 0.00 H +ATOM 2416 HD12 ILE A 288 -30.913 9.715 16.801 1.00 0.00 H +ATOM 2417 HD13 ILE A 288 -30.741 11.012 15.595 1.00 0.00 H +ATOM 2418 N LYS A 289 -31.066 8.326 12.380 1.00 12.03 N +ATOM 2419 CA LYS A 289 -30.779 7.028 11.780 0.50 13.37 C +ATOM 2420 C LYS A 289 -29.858 6.220 12.684 1.00 13.68 C +ATOM 2421 O LYS A 289 -28.733 6.625 12.936 1.00 15.37 O +ATOM 2422 CB LYS A 289 -30.107 7.215 10.427 0.50 14.64 C +ATOM 2423 CG LYS A 289 -31.012 7.786 9.367 0.50 15.84 C +ATOM 2424 CD LYS A 289 -32.099 6.792 8.992 0.50 18.52 C +ATOM 2425 CE LYS A 289 -32.807 7.189 7.721 0.50 21.35 C +ATOM 2426 NZ LYS A 289 -33.825 6.162 7.373 0.50 24.25 N1+ +ATOM 2427 H LYS A 289 -30.273 8.857 12.709 1.00 0.00 H +ATOM 2428 HA LYS A 289 -31.713 6.483 11.643 0.50 0.00 H +ATOM 2429 HB2 LYS A 289 -29.235 7.858 10.543 0.50 0.00 H +ATOM 2430 HB3 LYS A 289 -29.709 6.259 10.086 0.50 0.00 H +ATOM 2431 HG2 LYS A 289 -31.471 8.703 9.737 0.50 0.00 H +ATOM 2432 HG3 LYS A 289 -30.425 8.032 8.482 0.50 0.00 H +ATOM 2433 HD2 LYS A 289 -31.659 5.803 8.868 0.50 0.00 H +ATOM 2434 HD3 LYS A 289 -32.823 6.723 9.804 0.50 0.00 H +ATOM 2435 HE2 LYS A 289 -33.297 8.152 7.864 0.50 0.00 H +ATOM 2436 HE3 LYS A 289 -32.082 7.270 6.911 0.50 0.00 H +ATOM 2437 HZ1 LYS A 289 -34.297 6.430 6.522 0.50 0.00 H +ATOM 2438 HZ2 LYS A 289 -33.371 5.270 7.239 0.50 0.00 H +ATOM 2439 HZ3 LYS A 289 -34.498 6.087 8.122 0.50 0.00 H +ATOM 2440 N ILE A 290 -30.330 5.079 13.172 1.00 11.52 N +ATOM 2441 CA ILE A 290 -29.473 4.190 13.960 1.00 12.00 C +ATOM 2442 C ILE A 290 -28.613 3.392 12.986 1.00 14.10 C +ATOM 2443 O ILE A 290 -29.088 2.889 11.971 1.00 13.20 O +ATOM 2444 CB ILE A 290 -30.278 3.276 14.875 1.00 12.38 C +ATOM 2445 CG1 ILE A 290 -31.225 4.117 15.757 1.00 13.54 C +ATOM 2446 CG2 ILE A 290 -29.313 2.397 15.696 1.00 9.78 C +ATOM 2447 CD1 ILE A 290 -32.003 3.344 16.886 1.00 19.04 C +ATOM 2448 H ILE A 290 -31.290 4.816 13.001 1.00 0.00 H +ATOM 2449 HA ILE A 290 -28.816 4.803 14.577 1.00 0.00 H +ATOM 2450 HB ILE A 290 -30.887 2.621 14.251 1.00 0.00 H +ATOM 2451 HG12 ILE A 290 -30.664 4.938 16.205 1.00 0.00 H +ATOM 2452 HG13 ILE A 290 -31.940 4.638 15.121 1.00 0.00 H +ATOM 2453 HG21 ILE A 290 -29.886 1.742 16.352 1.00 0.00 H +ATOM 2454 HG22 ILE A 290 -28.706 1.794 15.021 1.00 0.00 H +ATOM 2455 HG23 ILE A 290 -28.663 3.033 16.297 1.00 0.00 H +ATOM 2456 HD11 ILE A 290 -32.634 4.042 17.436 1.00 0.00 H +ATOM 2457 HD12 ILE A 290 -32.625 2.570 16.435 1.00 0.00 H +ATOM 2458 HD13 ILE A 290 -31.290 2.884 17.570 1.00 0.00 H +ATOM 2459 N THR A 291 -27.335 3.284 13.302 1.00 15.17 N +ATOM 2460 CA THR A 291 -26.386 2.523 12.509 1.00 15.93 C +ATOM 2461 C THR A 291 -25.748 1.456 13.397 1.00 13.43 C +ATOM 2462 O THR A 291 -25.781 1.551 14.644 1.00 17.41 O +ATOM 2463 CB THR A 291 -25.285 3.446 11.901 1.00 17.45 C +ATOM 2464 CG2 THR A 291 -25.915 4.536 11.039 1.00 18.91 C +ATOM 2465 OG1 THR A 291 -24.516 4.052 12.957 1.00 23.35 O +ATOM 2466 H THR A 291 -26.979 3.743 14.128 1.00 0.00 H +ATOM 2467 HA THR A 291 -26.921 2.031 11.697 1.00 0.00 H +ATOM 2468 HB THR A 291 -24.621 2.844 11.281 1.00 0.00 H +ATOM 2469 HG1 THR A 291 -23.840 4.618 12.577 1.00 0.00 H +ATOM 2470 HG21 THR A 291 -25.131 5.170 10.624 1.00 0.00 H +ATOM 2471 HG22 THR A 291 -26.479 4.077 10.227 1.00 0.00 H +ATOM 2472 HG23 THR A 291 -26.585 5.141 11.650 1.00 0.00 H +ATOM 2473 N ASP A 292 -25.150 0.454 12.757 1.00 13.83 N +ATOM 2474 CA ASP A 292 -24.378 -0.603 13.409 1.00 14.70 C +ATOM 2475 C ASP A 292 -25.197 -1.573 14.266 1.00 14.03 C +ATOM 2476 O ASP A 292 -25.404 -1.382 15.454 1.00 16.15 O +ATOM 2477 CB ASP A 292 -23.145 -0.030 14.133 1.00 15.93 C +ATOM 2478 CG ASP A 292 -22.049 0.306 13.158 1.00 20.45 C +ATOM 2479 OD1 ASP A 292 -21.376 -0.639 12.705 1.00 22.98 O +ATOM 2480 OD2 ASP A 292 -21.928 1.485 12.776 1.00 24.12 O1- +ATOM 2481 H ASP A 292 -25.213 0.388 11.751 1.00 0.00 H +ATOM 2482 HA ASP A 292 -23.977 -1.208 12.596 1.00 0.00 H +ATOM 2483 HB2 ASP A 292 -23.431 0.868 14.681 1.00 0.00 H +ATOM 2484 HB3 ASP A 292 -22.777 -0.759 14.855 1.00 0.00 H +ATOM 2485 N PHE A 293 -25.624 -2.650 13.615 1.00 12.52 N +ATOM 2486 CA PHE A 293 -26.508 -3.655 14.184 1.00 12.90 C +ATOM 2487 C PHE A 293 -25.786 -4.952 14.554 1.00 10.51 C +ATOM 2488 O PHE A 293 -26.418 -5.938 14.865 1.00 12.08 O +ATOM 2489 CB PHE A 293 -27.652 -3.906 13.197 1.00 14.98 C +ATOM 2490 CG PHE A 293 -28.486 -2.691 12.981 1.00 13.69 C +ATOM 2491 CD1 PHE A 293 -29.516 -2.360 13.871 1.00 12.46 C +ATOM 2492 CD2 PHE A 293 -28.173 -1.790 11.962 1.00 15.90 C +ATOM 2493 CE1 PHE A 293 -30.234 -1.192 13.700 1.00 12.26 C +ATOM 2494 CE2 PHE A 293 -28.912 -0.615 11.795 1.00 14.95 C +ATOM 2495 CZ PHE A 293 -29.933 -0.326 12.663 1.00 12.37 C +ATOM 2496 H PHE A 293 -25.334 -2.811 12.661 1.00 0.00 H +ATOM 2497 HA PHE A 293 -26.939 -3.242 15.096 1.00 0.00 H +ATOM 2498 HB2 PHE A 293 -27.242 -4.238 12.243 1.00 0.00 H +ATOM 2499 HB3 PHE A 293 -28.280 -4.716 13.569 1.00 0.00 H +ATOM 2500 HD1 PHE A 293 -29.751 -3.019 14.694 1.00 0.00 H +ATOM 2501 HD2 PHE A 293 -27.352 -1.997 11.292 1.00 0.00 H +ATOM 2502 HE1 PHE A 293 -31.038 -0.948 14.379 1.00 0.00 H +ATOM 2503 HE2 PHE A 293 -28.677 0.060 10.985 1.00 0.00 H +ATOM 2504 HZ PHE A 293 -30.503 0.582 12.535 1.00 0.00 H +ATOM 2505 N GLY A 294 -24.459 -4.940 14.540 1.00 12.28 N +ATOM 2506 CA GLY A 294 -23.712 -6.136 14.811 1.00 13.03 C +ATOM 2507 C GLY A 294 -23.846 -6.759 16.191 1.00 13.09 C +ATOM 2508 O GLY A 294 -23.598 -7.950 16.329 1.00 12.59 O +ATOM 2509 H GLY A 294 -23.964 -4.083 14.337 1.00 0.00 H +ATOM 2510 HA2 GLY A 294 -23.951 -6.885 14.056 1.00 0.00 H +ATOM 2511 HA3 GLY A 294 -22.658 -5.954 14.602 1.00 0.00 H +ATOM 2512 N LEU A 295 -24.207 -5.954 17.197 0.50 12.65 N +ATOM 2513 CA LEU A 295 -24.405 -6.438 18.580 0.50 14.52 C +ATOM 2514 C LEU A 295 -25.845 -6.851 18.868 0.50 12.50 C +ATOM 2515 O LEU A 295 -26.168 -7.251 19.984 0.50 15.03 O +ATOM 2516 CB LEU A 295 -23.951 -5.393 19.606 0.50 14.27 C +ATOM 2517 CG LEU A 295 -22.568 -5.623 20.232 0.50 19.48 C +ATOM 2518 CD1 LEU A 295 -21.481 -5.750 19.177 0.50 21.23 C +ATOM 2519 CD2 LEU A 295 -22.217 -4.510 21.204 0.50 18.45 C +ATOM 2520 H LEU A 295 -24.356 -4.970 17.027 0.50 0.00 H +ATOM 2521 HA LEU A 295 -23.778 -7.320 18.711 0.50 0.00 H +ATOM 2522 HB2 LEU A 295 -23.979 -4.404 19.148 0.50 0.00 H +ATOM 2523 HB3 LEU A 295 -24.696 -5.319 20.398 0.50 0.00 H +ATOM 2524 HG LEU A 295 -22.604 -6.558 20.791 0.50 0.00 H +ATOM 2525 HD11 LEU A 295 -20.519 -5.912 19.663 0.50 0.00 H +ATOM 2526 HD12 LEU A 295 -21.704 -6.594 18.524 0.50 0.00 H +ATOM 2527 HD13 LEU A 295 -21.439 -4.835 18.586 0.50 0.00 H +ATOM 2528 HD21 LEU A 295 -21.233 -4.698 21.633 0.50 0.00 H +ATOM 2529 HD22 LEU A 295 -22.207 -3.556 20.677 0.50 0.00 H +ATOM 2530 HD23 LEU A 295 -22.959 -4.476 22.001 0.50 0.00 H +ATOM 2531 N CYS A 296 -26.709 -6.781 17.867 1.00 12.59 N +ATOM 2532 CA CYS A 296 -28.091 -7.164 18.065 1.00 12.94 C +ATOM 2533 C CYS A 296 -28.211 -8.651 18.438 1.00 14.71 C +ATOM 2534 O CYS A 296 -27.367 -9.489 18.103 1.00 13.39 O +ATOM 2535 CB CYS A 296 -28.930 -6.933 16.809 1.00 13.06 C +ATOM 2536 SG CYS A 296 -29.412 -5.233 16.494 1.00 14.39 S +ATOM 2537 H CYS A 296 -26.405 -6.459 16.959 1.00 0.00 H +ATOM 2538 HA CYS A 296 -28.506 -6.566 18.877 1.00 0.00 H +ATOM 2539 HB2 CYS A 296 -28.395 -7.322 15.942 1.00 0.00 H +ATOM 2540 HB3 CYS A 296 -29.822 -7.558 16.852 1.00 0.00 H +ATOM 2541 HG CYS A 296 -30.136 -5.175 15.373 1.00 0.00 H +ATOM 2542 N LYS A 297 -29.290 -8.955 19.150 1.00 14.01 N +ATOM 2543 CA LYS A 297 -29.731 -10.331 19.353 1.00 13.67 C +ATOM 2544 C LYS A 297 -31.130 -10.530 18.780 1.00 14.97 C +ATOM 2545 O LYS A 297 -32.056 -9.776 19.087 1.00 15.55 O +ATOM 2546 CB LYS A 297 -29.718 -10.709 20.835 1.00 16.16 C +ATOM 2547 CG LYS A 297 -29.869 -12.221 21.087 1.00 17.33 C +ATOM 2548 CD LYS A 297 -28.630 -12.975 20.713 1.00 19.68 C +ATOM 2549 CE LYS A 297 -28.760 -14.463 20.988 1.00 28.84 C +ATOM 2550 NZ LYS A 297 -27.545 -15.192 20.527 1.00 28.21 N1+ +ATOM 2551 H LYS A 297 -29.838 -8.221 19.574 1.00 0.00 H +ATOM 2552 HA LYS A 297 -29.046 -10.993 18.824 1.00 0.00 H +ATOM 2553 HB2 LYS A 297 -28.792 -10.357 21.290 1.00 0.00 H +ATOM 2554 HB3 LYS A 297 -30.515 -10.175 21.352 1.00 0.00 H +ATOM 2555 HG2 LYS A 297 -30.094 -12.392 22.140 1.00 0.00 H +ATOM 2556 HG3 LYS A 297 -30.713 -12.602 20.512 1.00 0.00 H +ATOM 2557 HD2 LYS A 297 -28.416 -12.819 19.656 1.00 0.00 H +ATOM 2558 HD3 LYS A 297 -27.781 -12.576 21.269 1.00 0.00 H +ATOM 2559 HE2 LYS A 297 -28.896 -14.624 22.057 1.00 0.00 H +ATOM 2560 HE3 LYS A 297 -29.636 -14.853 20.469 1.00 0.00 H +ATOM 2561 HZ1 LYS A 297 -27.651 -16.178 20.718 1.00 0.00 H +ATOM 2562 HZ2 LYS A 297 -27.425 -15.053 19.534 1.00 0.00 H +ATOM 2563 HZ3 LYS A 297 -26.735 -14.840 21.016 1.00 0.00 H +ATOM 2564 N GLU A 298 -31.253 -11.553 17.938 1.00 16.61 N +ATOM 2565 CA GLU A 298 -32.497 -11.899 17.286 1.00 18.23 C +ATOM 2566 C GLU A 298 -33.206 -12.949 18.135 1.00 16.83 C +ATOM 2567 O GLU A 298 -32.585 -13.604 18.970 1.00 18.20 O +ATOM 2568 CB GLU A 298 -32.209 -12.477 15.896 1.00 18.93 C +ATOM 2569 CG GLU A 298 -31.480 -11.537 14.935 1.00 21.53 C +ATOM 2570 CD GLU A 298 -30.584 -12.279 13.964 1.00 27.80 C +ATOM 2571 OE1 GLU A 298 -29.743 -13.079 14.432 1.00 29.90 O +ATOM 2572 OE2 GLU A 298 -30.711 -12.068 12.741 1.00 25.92 O1- +ATOM 2573 H GLU A 298 -30.453 -12.132 17.727 1.00 0.00 H +ATOM 2574 HA GLU A 298 -33.125 -11.013 17.194 1.00 0.00 H +ATOM 2575 HB2 GLU A 298 -31.638 -13.399 16.001 1.00 0.00 H +ATOM 2576 HB3 GLU A 298 -33.144 -12.803 15.441 1.00 0.00 H +ATOM 2577 HG2 GLU A 298 -32.211 -10.950 14.378 1.00 0.00 H +ATOM 2578 HG3 GLU A 298 -30.884 -10.825 15.507 1.00 0.00 H +ATOM 2579 N GLY A 299 -34.506 -13.082 17.926 1.00 18.52 N +ATOM 2580 CA GLY A 299 -35.311 -14.130 18.536 1.00 20.41 C +ATOM 2581 C GLY A 299 -35.666 -13.920 19.989 1.00 22.60 C +ATOM 2582 O GLY A 299 -35.906 -14.882 20.713 1.00 24.27 O +ATOM 2583 H GLY A 299 -34.988 -12.437 17.317 1.00 0.00 H +ATOM 2584 HA2 GLY A 299 -36.225 -14.264 17.958 1.00 0.00 H +ATOM 2585 HA3 GLY A 299 -34.801 -15.087 18.425 1.00 0.00 H +ATOM 2586 N ILE A 300 -35.733 -12.664 20.424 1.00 18.24 N +ATOM 2587 CA ILE A 300 -35.969 -12.333 21.818 1.00 18.95 C +ATOM 2588 C ILE A 300 -37.398 -11.856 21.910 1.00 22.68 C +ATOM 2589 O ILE A 300 -37.730 -10.734 21.531 1.00 21.83 O +ATOM 2590 CB ILE A 300 -34.954 -11.278 22.337 1.00 16.15 C +ATOM 2591 CG1 ILE A 300 -33.521 -11.788 22.166 1.00 20.57 C +ATOM 2592 CG2 ILE A 300 -35.245 -10.913 23.788 1.00 22.05 C +ATOM 2593 CD1 ILE A 300 -33.231 -13.123 22.826 1.00 24.07 C +ATOM 2594 H ILE A 300 -35.618 -11.898 19.776 1.00 0.00 H +ATOM 2595 HA ILE A 300 -35.865 -13.240 22.414 1.00 0.00 H +ATOM 2596 HB ILE A 300 -35.066 -10.377 21.734 1.00 0.00 H +ATOM 2597 HG12 ILE A 300 -33.286 -11.852 21.104 1.00 0.00 H +ATOM 2598 HG13 ILE A 300 -32.824 -11.040 22.545 1.00 0.00 H +ATOM 2599 HG21 ILE A 300 -34.521 -10.173 24.129 1.00 0.00 H +ATOM 2600 HG22 ILE A 300 -36.251 -10.499 23.864 1.00 0.00 H +ATOM 2601 HG23 ILE A 300 -35.172 -11.805 24.409 1.00 0.00 H +ATOM 2602 HD11 ILE A 300 -32.191 -13.398 22.649 1.00 0.00 H +ATOM 2603 HD12 ILE A 300 -33.408 -13.045 23.899 1.00 0.00 H +ATOM 2604 HD13 ILE A 300 -33.885 -13.887 22.406 1.00 0.00 H +ATOM 2605 N LYS A 301 -38.260 -12.752 22.361 1.00 26.35 N +ATOM 2606 CA LYS A 301 -39.681 -12.482 22.416 1.00 30.63 C +ATOM 2607 C LYS A 301 -40.043 -12.247 23.863 1.00 31.55 C +ATOM 2608 O LYS A 301 -39.618 -13.002 24.744 1.00 30.59 O +ATOM 2609 CB LYS A 301 -40.471 -13.658 21.844 1.00 32.45 C +ATOM 2610 CG LYS A 301 -41.965 -13.371 21.682 1.00 38.52 C +ATOM 2611 CD LYS A 301 -42.574 -14.148 20.512 1.00 44.85 C +ATOM 2612 CE LYS A 301 -43.802 -13.442 19.931 1.00 48.64 C +ATOM 2613 NZ LYS A 301 -43.875 -13.607 18.447 1.00 52.03 N1+ +ATOM 2614 H LYS A 301 -37.932 -13.653 22.679 1.00 0.00 H +ATOM 2615 HA LYS A 301 -39.901 -11.584 21.838 1.00 0.00 H +ATOM 2616 HB2 LYS A 301 -40.050 -13.941 20.879 1.00 0.00 H +ATOM 2617 HB3 LYS A 301 -40.338 -14.529 22.485 1.00 0.00 H +ATOM 2618 HG2 LYS A 301 -42.487 -13.634 22.602 1.00 0.00 H +ATOM 2619 HG3 LYS A 301 -42.114 -12.303 21.525 1.00 0.00 H +ATOM 2620 HD2 LYS A 301 -41.824 -14.273 19.731 1.00 0.00 H +ATOM 2621 HD3 LYS A 301 -42.855 -15.147 20.847 1.00 0.00 H +ATOM 2622 HE2 LYS A 301 -44.704 -13.850 20.386 1.00 0.00 H +ATOM 2623 HE3 LYS A 301 -43.760 -12.381 20.176 1.00 0.00 H +ATOM 2624 HZ1 LYS A 301 -44.693 -13.131 18.095 1.00 0.00 H +ATOM 2625 HZ2 LYS A 301 -43.048 -13.212 18.023 1.00 0.00 H +ATOM 2626 HZ3 LYS A 301 -43.933 -14.589 18.219 1.00 0.00 H +ATOM 2627 N ASP A 302 -40.808 -11.186 24.106 1.00 34.92 N +ATOM 2628 CA ASP A 302 -41.326 -10.886 25.435 1.00 37.04 C +ATOM 2629 C ASP A 302 -40.178 -10.884 26.452 1.00 36.69 C +ATOM 2630 O ASP A 302 -39.171 -10.207 26.223 1.00 37.09 O +ATOM 2631 CB ASP A 302 -42.449 -11.880 25.796 1.00 39.71 C +ATOM 2632 CG ASP A 302 -43.618 -11.844 24.799 1.00 45.74 C +ATOM 2633 OD1 ASP A 302 -43.872 -10.774 24.196 1.00 48.52 O +ATOM 2634 OD2 ASP A 302 -44.286 -12.890 24.619 1.00 50.90 O1- +ATOM 2635 H ASP A 302 -41.049 -10.555 23.355 1.00 0.00 H +ATOM 2636 HA ASP A 302 -41.757 -9.885 25.411 1.00 0.00 H +ATOM 2637 HB2 ASP A 302 -42.040 -12.889 25.838 1.00 0.00 H +ATOM 2638 HB3 ASP A 302 -42.820 -11.660 26.797 1.00 0.00 H +ATOM 2639 N GLY A 303 -40.303 -11.655 27.535 1.00 34.87 N +ATOM 2640 CA GLY A 303 -39.298 -11.686 28.603 1.00 33.04 C +ATOM 2641 C GLY A 303 -38.134 -12.662 28.455 1.00 31.50 C +ATOM 2642 O GLY A 303 -37.427 -12.930 29.431 1.00 33.46 O +ATOM 2643 H GLY A 303 -41.114 -12.248 27.642 1.00 0.00 H +ATOM 2644 HA2 GLY A 303 -38.905 -10.681 28.753 1.00 0.00 H +ATOM 2645 HA3 GLY A 303 -39.795 -11.864 29.557 1.00 0.00 H +ATOM 2646 N ALA A 304 -37.928 -13.191 27.249 1.00 28.91 N +ATOM 2647 CA ALA A 304 -36.759 -14.017 26.934 1.00 26.98 C +ATOM 2648 C ALA A 304 -35.427 -13.330 27.300 1.00 27.18 C +ATOM 2649 O ALA A 304 -35.290 -12.107 27.179 1.00 25.98 O +ATOM 2650 CB ALA A 304 -36.768 -14.393 25.450 1.00 25.56 C +ATOM 2651 H ALA A 304 -38.593 -13.029 26.506 1.00 0.00 H +ATOM 2652 HA ALA A 304 -36.832 -14.937 27.514 1.00 0.00 H +ATOM 2653 HB1 ALA A 304 -35.896 -15.007 25.225 1.00 0.00 H +ATOM 2654 HB2 ALA A 304 -37.675 -14.954 25.222 1.00 0.00 H +ATOM 2655 HB3 ALA A 304 -36.740 -13.487 24.845 1.00 0.00 H +ATOM 2656 N THR A 305 -34.455 -14.125 27.740 1.00 26.04 N +ATOM 2657 CA THR A 305 -33.186 -13.596 28.228 1.00 25.57 C +ATOM 2658 C THR A 305 -32.030 -13.843 27.274 1.00 23.54 C +ATOM 2659 O THR A 305 -32.116 -14.675 26.374 1.00 24.33 O +ATOM 2660 CB THR A 305 -32.834 -14.150 29.621 1.00 28.24 C +ATOM 2661 CG2 THR A 305 -33.939 -13.842 30.604 1.00 31.58 C +ATOM 2662 OG1 THR A 305 -32.636 -15.563 29.542 1.00 32.48 O +ATOM 2663 H THR A 305 -34.584 -15.127 27.743 1.00 0.00 H +ATOM 2664 HA THR A 305 -33.301 -12.517 28.327 1.00 0.00 H +ATOM 2665 HB THR A 305 -31.912 -13.682 29.966 1.00 0.00 H +ATOM 2666 HG1 THR A 305 -32.417 -15.905 30.412 1.00 0.00 H +ATOM 2667 HG21 THR A 305 -33.676 -14.240 31.584 1.00 0.00 H +ATOM 2668 HG22 THR A 305 -34.073 -12.763 30.675 1.00 0.00 H +ATOM 2669 HG23 THR A 305 -34.867 -14.301 30.264 1.00 0.00 H +ATOM 2670 N MET A 306 -30.955 -13.095 27.501 1.00 20.02 N +ATOM 2671 CA MET A 306 -29.736 -13.148 26.720 1.00 19.89 C +ATOM 2672 C MET A 306 -28.596 -13.341 27.695 1.00 18.80 C +ATOM 2673 O MET A 306 -28.716 -12.974 28.864 1.00 18.00 O +ATOM 2674 CB MET A 306 -29.517 -11.839 25.955 1.00 19.35 C +ATOM 2675 CG MET A 306 -30.465 -11.617 24.813 1.00 23.13 C +ATOM 2676 SD MET A 306 -30.663 -9.873 24.445 1.00 19.56 S +ATOM 2677 CE MET A 306 -31.643 -9.384 25.851 1.00 23.96 C +ATOM 2678 H MET A 306 -30.953 -12.432 28.263 1.00 0.00 H +ATOM 2679 HA MET A 306 -29.776 -13.985 26.023 1.00 0.00 H +ATOM 2680 HB2 MET A 306 -29.584 -11.000 26.648 1.00 0.00 H +ATOM 2681 HB3 MET A 306 -28.492 -11.804 25.585 1.00 0.00 H +ATOM 2682 HG2 MET A 306 -30.094 -12.135 23.928 1.00 0.00 H +ATOM 2683 HG3 MET A 306 -31.436 -12.048 25.058 1.00 0.00 H +ATOM 2684 HE1 MET A 306 -31.863 -8.318 25.788 1.00 0.00 H +ATOM 2685 HE2 MET A 306 -32.576 -9.947 25.858 1.00 0.00 H +ATOM 2686 HE3 MET A 306 -31.090 -9.587 26.768 1.00 0.00 H +ATOM 2687 N LYS A 307 -27.501 -13.906 27.193 1.00 19.89 N +ATOM 2688 CA LYS A 307 -26.345 -14.267 28.003 1.00 21.60 C +ATOM 2689 C LYS A 307 -25.074 -13.487 27.713 1.00 19.91 C +ATOM 2690 O LYS A 307 -24.265 -13.306 28.608 1.00 20.53 O +ATOM 2691 CB LYS A 307 -26.022 -15.744 27.775 1.00 23.59 C +ATOM 2692 CG LYS A 307 -27.037 -16.688 28.337 1.00 33.04 C +ATOM 2693 CD LYS A 307 -26.592 -18.141 28.152 1.00 40.42 C +ATOM 2694 CE LYS A 307 -26.839 -18.969 29.414 1.00 47.02 C +ATOM 2695 NZ LYS A 307 -25.858 -18.644 30.478 1.00 46.57 N1+ +ATOM 2696 H LYS A 307 -27.443 -14.105 26.204 1.00 0.00 H +ATOM 2697 HA LYS A 307 -26.603 -14.128 29.053 1.00 0.00 H +ATOM 2698 HB2 LYS A 307 -25.910 -15.928 26.707 1.00 0.00 H +ATOM 2699 HB3 LYS A 307 -25.044 -15.970 28.200 1.00 0.00 H +ATOM 2700 HG2 LYS A 307 -27.175 -16.483 29.399 1.00 0.00 H +ATOM 2701 HG3 LYS A 307 -27.992 -16.534 27.835 1.00 0.00 H +ATOM 2702 HD2 LYS A 307 -27.135 -18.583 27.316 1.00 0.00 H +ATOM 2703 HD3 LYS A 307 -25.531 -18.167 27.903 1.00 0.00 H +ATOM 2704 HE2 LYS A 307 -27.848 -18.779 29.781 1.00 0.00 H +ATOM 2705 HE3 LYS A 307 -26.772 -20.029 29.171 1.00 0.00 H +ATOM 2706 HZ1 LYS A 307 -26.048 -19.206 31.295 1.00 0.00 H +ATOM 2707 HZ2 LYS A 307 -24.924 -18.838 30.146 1.00 0.00 H +ATOM 2708 HZ3 LYS A 307 -25.933 -17.666 30.718 1.00 0.00 H +ATOM 2709 N TPO A 308 -24.885 -13.030 26.476 1.00 18.61 N +ATOM 2710 CA TPO A 308 -23.578 -12.577 26.055 1.00 17.89 C +ATOM 2711 C TPO A 308 -23.189 -11.261 26.667 1.00 17.37 C +ATOM 2712 O TPO A 308 -23.956 -10.290 26.622 1.00 18.67 O +ATOM 2713 CB TPO A 308 -23.483 -12.409 24.532 1.00 18.37 C +ATOM 2714 CG2 TPO A 308 -22.058 -12.125 24.099 1.00 20.17 C +ATOM 2715 OG1 TPO A 308 -23.924 -13.590 23.861 1.00 22.97 O +ATOM 2716 P TPO A 308 -25.190 -13.480 22.866 1.00 22.95 P +ATOM 2717 O1P TPO A 308 -24.722 -12.515 21.783 1.00 21.38 O +ATOM 2718 O2P TPO A 308 -26.345 -13.093 23.733 1.00 21.90 O1- +ATOM 2719 O3P TPO A 308 -25.301 -14.894 22.328 1.00 28.01 O1- +ATOM 2720 H TPO A 308 -25.657 -12.998 25.826 1.00 0.00 H +ATOM 2721 HA TPO A 308 -22.845 -13.324 26.361 1.00 0.00 H +ATOM 2722 HB TPO A 308 -24.116 -11.575 24.229 1.00 0.00 H +ATOM 2723 HG21 TPO A 308 -22.023 -12.011 23.016 1.00 0.00 H +ATOM 2724 HG22 TPO A 308 -21.710 -11.207 24.572 1.00 0.00 H +ATOM 2725 HG23 TPO A 308 -21.415 -12.953 24.398 1.00 0.00 H +ATOM 2726 N PHE A 309 -21.978 -11.227 27.220 1.00 16.13 N +ATOM 2727 CA PHE A 309 -21.366 -9.996 27.688 1.00 16.54 C +ATOM 2728 C PHE A 309 -20.878 -9.171 26.500 1.00 16.57 C +ATOM 2729 O PHE A 309 -19.880 -9.494 25.879 1.00 20.23 O +ATOM 2730 CB PHE A 309 -20.181 -10.267 28.628 1.00 17.61 C +ATOM 2731 CG PHE A 309 -19.580 -9.016 29.203 1.00 16.28 C +ATOM 2732 CD1 PHE A 309 -20.310 -8.228 30.075 1.00 20.16 C +ATOM 2733 CD2 PHE A 309 -18.293 -8.619 28.879 1.00 18.00 C +ATOM 2734 CE1 PHE A 309 -19.779 -7.075 30.615 1.00 15.31 C +ATOM 2735 CE2 PHE A 309 -17.746 -7.466 29.425 1.00 19.86 C +ATOM 2736 CZ PHE A 309 -18.496 -6.684 30.281 1.00 18.37 C +ATOM 2737 H PHE A 309 -21.448 -12.080 27.327 1.00 0.00 H +ATOM 2738 HA PHE A 309 -22.115 -9.418 28.229 1.00 0.00 H +ATOM 2739 HB2 PHE A 309 -20.504 -10.919 29.439 1.00 0.00 H +ATOM 2740 HB3 PHE A 309 -19.413 -10.824 28.091 1.00 0.00 H +ATOM 2741 HD1 PHE A 309 -21.316 -8.511 30.345 1.00 0.00 H +ATOM 2742 HD2 PHE A 309 -17.702 -9.209 28.194 1.00 0.00 H +ATOM 2743 HE1 PHE A 309 -20.366 -6.479 31.298 1.00 0.00 H +ATOM 2744 HE2 PHE A 309 -16.734 -7.180 29.180 1.00 0.00 H +ATOM 2745 HZ PHE A 309 -18.086 -5.772 30.689 1.00 0.00 H +ATOM 2746 N CYS A 310 -21.584 -8.088 26.204 1.00 17.86 N +ATOM 2747 CA CYS A 310 -21.219 -7.228 25.085 1.00 17.82 C +ATOM 2748 C CYS A 310 -21.812 -5.851 25.274 1.00 18.31 C +ATOM 2749 O CYS A 310 -22.688 -5.652 26.112 1.00 17.12 O +ATOM 2750 CB CYS A 310 -21.716 -7.818 23.761 1.00 19.85 C +ATOM 2751 SG CYS A 310 -23.499 -7.893 23.581 1.00 21.13 S +ATOM 2752 H CYS A 310 -22.392 -7.845 26.758 1.00 0.00 H +ATOM 2753 HA CYS A 310 -20.133 -7.142 25.047 1.00 0.00 H +ATOM 2754 HB2 CYS A 310 -21.294 -7.250 22.932 1.00 0.00 H +ATOM 2755 HB3 CYS A 310 -21.298 -8.817 23.632 1.00 0.00 H +ATOM 2756 HG CYS A 310 -23.805 -8.423 22.393 1.00 0.00 H +ATOM 2757 N GLY A 311 -21.311 -4.909 24.482 1.00 18.85 N +ATOM 2758 CA GLY A 311 -21.703 -3.495 24.561 1.00 18.80 C +ATOM 2759 C GLY A 311 -20.464 -2.614 24.645 1.00 21.05 C +ATOM 2760 O GLY A 311 -19.341 -3.090 24.517 1.00 26.81 O +ATOM 2761 H GLY A 311 -20.624 -5.151 23.782 1.00 0.00 H +ATOM 2762 HA2 GLY A 311 -22.279 -3.228 23.675 1.00 0.00 H +ATOM 2763 HA3 GLY A 311 -22.321 -3.338 25.445 1.00 0.00 H +ATOM 2764 N THR A 312 -20.656 -1.322 24.864 1.00 18.47 N +ATOM 2765 CA THR A 312 -19.558 -0.384 25.040 1.00 16.38 C +ATOM 2766 C THR A 312 -19.445 -0.074 26.536 1.00 17.02 C +ATOM 2767 O THR A 312 -20.459 0.192 27.170 1.00 16.42 O +ATOM 2768 CB THR A 312 -19.833 0.888 24.213 1.00 16.92 C +ATOM 2769 CG2 THR A 312 -18.740 1.916 24.368 1.00 20.44 C +ATOM 2770 OG1 THR A 312 -19.972 0.527 22.822 1.00 18.13 O +ATOM 2771 H THR A 312 -21.595 -0.952 24.915 1.00 0.00 H +ATOM 2772 HA THR A 312 -18.632 -0.844 24.696 1.00 0.00 H +ATOM 2773 HB THR A 312 -20.771 1.326 24.553 1.00 0.00 H +ATOM 2774 HG1 THR A 312 -20.143 1.315 22.302 1.00 0.00 H +ATOM 2775 HG21 THR A 312 -18.978 2.794 23.767 1.00 0.00 H +ATOM 2776 HG22 THR A 312 -18.658 2.205 25.416 1.00 0.00 H +ATOM 2777 HG23 THR A 312 -17.793 1.493 24.033 1.00 0.00 H +ATOM 2778 N PRO A 313 -18.226 -0.147 27.106 1.00 18.40 N +ATOM 2779 CA PRO A 313 -18.054 -0.112 28.574 1.00 18.80 C +ATOM 2780 C PRO A 313 -18.841 0.962 29.322 1.00 17.55 C +ATOM 2781 O PRO A 313 -19.545 0.646 30.277 1.00 16.11 O +ATOM 2782 CB PRO A 313 -16.554 0.098 28.738 1.00 19.22 C +ATOM 2783 CG PRO A 313 -15.989 -0.619 27.608 1.00 20.91 C +ATOM 2784 CD PRO A 313 -16.921 -0.326 26.439 1.00 21.34 C +ATOM 2785 HA PRO A 313 -18.318 -1.088 28.981 1.00 0.00 H +ATOM 2786 HB2 PRO A 313 -16.326 1.160 28.641 1.00 0.00 H +ATOM 2787 HB3 PRO A 313 -16.224 -0.372 29.664 1.00 0.00 H +ATOM 2788 HG2 PRO A 313 -14.997 -0.223 27.388 1.00 0.00 H +ATOM 2789 HG3 PRO A 313 -15.997 -1.689 27.818 1.00 0.00 H +ATOM 2790 HD2 PRO A 313 -16.625 0.613 25.971 1.00 0.00 H +ATOM 2791 HD3 PRO A 313 -16.967 -1.200 25.789 1.00 0.00 H +ATOM 2792 N GLU A 314 -18.766 2.207 28.866 1.00 17.20 N +ATOM 2793 CA GLU A 314 -19.422 3.328 29.567 1.00 15.85 C +ATOM 2794 C GLU A 314 -20.970 3.241 29.553 1.00 15.00 C +ATOM 2795 O GLU A 314 -21.647 3.869 30.375 1.00 15.62 O +ATOM 2796 CB GLU A 314 -18.953 4.673 28.998 1.00 17.28 C +ATOM 2797 CG GLU A 314 -17.483 4.983 29.236 1.00 20.79 C +ATOM 2798 CD GLU A 314 -16.529 4.191 28.336 1.00 24.40 C +ATOM 2799 OE1 GLU A 314 -16.955 3.684 27.267 1.00 19.59 O +ATOM 2800 OE2 GLU A 314 -15.340 4.084 28.699 1.00 32.99 O1- +ATOM 2801 H GLU A 314 -18.251 2.405 28.020 1.00 0.00 H +ATOM 2802 HA GLU A 314 -19.105 3.289 30.609 1.00 0.00 H +ATOM 2803 HB2 GLU A 314 -19.160 4.704 27.928 1.00 0.00 H +ATOM 2804 HB3 GLU A 314 -19.563 5.474 29.416 1.00 0.00 H +ATOM 2805 HG2 GLU A 314 -17.311 6.050 29.095 1.00 0.00 H +ATOM 2806 HG3 GLU A 314 -17.238 4.791 30.281 1.00 0.00 H +ATOM 2807 N TYR A 315 -21.507 2.438 28.629 1.00 12.44 N +ATOM 2808 CA TYR A 315 -22.957 2.301 28.404 1.00 11.81 C +ATOM 2809 C TYR A 315 -23.527 1.015 28.985 1.00 14.28 C +ATOM 2810 O TYR A 315 -24.730 0.798 28.930 1.00 14.44 O +ATOM 2811 CB TYR A 315 -23.242 2.336 26.889 1.00 12.51 C +ATOM 2812 CG TYR A 315 -23.010 3.686 26.238 1.00 11.59 C +ATOM 2813 CD1 TYR A 315 -21.770 4.062 25.761 1.00 12.64 C +ATOM 2814 CD2 TYR A 315 -24.068 4.577 26.085 1.00 15.37 C +ATOM 2815 CE1 TYR A 315 -21.579 5.317 25.176 1.00 12.78 C +ATOM 2816 CE2 TYR A 315 -23.907 5.798 25.510 1.00 12.89 C +ATOM 2817 CZ TYR A 315 -22.665 6.185 25.037 1.00 13.26 C +ATOM 2818 OH TYR A 315 -22.541 7.429 24.428 1.00 16.71 O +ATOM 2819 H TYR A 315 -20.909 1.880 28.036 1.00 0.00 H +ATOM 2820 HA TYR A 315 -23.462 3.146 28.871 1.00 0.00 H +ATOM 2821 HB2 TYR A 315 -22.631 1.584 26.389 1.00 0.00 H +ATOM 2822 HB3 TYR A 315 -24.269 2.019 26.707 1.00 0.00 H +ATOM 2823 HD1 TYR A 315 -20.933 3.383 25.838 1.00 0.00 H +ATOM 2824 HD2 TYR A 315 -25.056 4.307 26.428 1.00 0.00 H +ATOM 2825 HE1 TYR A 315 -20.597 5.610 24.835 1.00 0.00 H +ATOM 2826 HE2 TYR A 315 -24.749 6.468 25.421 1.00 0.00 H +ATOM 2827 HH TYR A 315 -23.392 7.873 24.429 1.00 0.00 H +ATOM 2828 N LEU A 316 -22.695 0.140 29.539 1.00 14.12 N +ATOM 2829 CA LEU A 316 -23.184 -1.176 29.991 1.00 15.06 C +ATOM 2830 C LEU A 316 -24.187 -1.070 31.137 1.00 14.43 C +ATOM 2831 O LEU A 316 -23.952 -0.348 32.117 1.00 15.30 O +ATOM 2832 CB LEU A 316 -22.014 -2.070 30.410 1.00 15.86 C +ATOM 2833 CG LEU A 316 -21.055 -2.467 29.287 1.00 16.71 C +ATOM 2834 CD1 LEU A 316 -19.828 -3.161 29.873 1.00 18.52 C +ATOM 2835 CD2 LEU A 316 -21.746 -3.340 28.249 1.00 18.70 C +ATOM 2836 H LEU A 316 -21.719 0.374 29.653 1.00 0.00 H +ATOM 2837 HA LEU A 316 -23.686 -1.654 29.150 1.00 0.00 H +ATOM 2838 HB2 LEU A 316 -21.453 -1.580 31.206 1.00 0.00 H +ATOM 2839 HB3 LEU A 316 -22.401 -2.970 30.888 1.00 0.00 H +ATOM 2840 HG LEU A 316 -20.721 -1.555 28.791 1.00 0.00 H +ATOM 2841 HD11 LEU A 316 -19.149 -3.441 29.068 1.00 0.00 H +ATOM 2842 HD12 LEU A 316 -19.319 -2.483 30.558 1.00 0.00 H +ATOM 2843 HD13 LEU A 316 -20.139 -4.055 30.413 1.00 0.00 H +ATOM 2844 HD21 LEU A 316 -21.036 -3.604 27.465 1.00 0.00 H +ATOM 2845 HD22 LEU A 316 -22.115 -4.248 28.725 1.00 0.00 H +ATOM 2846 HD23 LEU A 316 -22.582 -2.794 27.812 1.00 0.00 H +ATOM 2847 N ALA A 317 -25.280 -1.817 31.017 1.00 12.78 N +ATOM 2848 CA ALA A 317 -26.297 -1.885 32.054 1.00 14.65 C +ATOM 2849 C ALA A 317 -25.797 -2.696 33.253 1.00 12.99 C +ATOM 2850 O ALA A 317 -24.963 -3.591 33.088 1.00 14.71 O +ATOM 2851 CB ALA A 317 -27.600 -2.477 31.503 1.00 13.59 C +ATOM 2852 H ALA A 317 -25.428 -2.365 30.182 1.00 0.00 H +ATOM 2853 HA ALA A 317 -26.503 -0.870 32.394 1.00 0.00 H +ATOM 2854 HB1 ALA A 317 -28.346 -2.518 32.297 1.00 0.00 H +ATOM 2855 HB2 ALA A 317 -27.969 -1.851 30.691 1.00 0.00 H +ATOM 2856 HB3 ALA A 317 -27.413 -3.484 31.129 1.00 0.00 H +ATOM 2857 N PRO A 318 -26.274 -2.355 34.471 1.00 13.23 N +ATOM 2858 CA PRO A 318 -25.867 -3.125 35.643 1.00 16.75 C +ATOM 2859 C PRO A 318 -26.066 -4.640 35.477 1.00 15.26 C +ATOM 2860 O PRO A 318 -25.171 -5.398 35.824 1.00 13.83 O +ATOM 2861 CB PRO A 318 -26.774 -2.564 36.739 1.00 17.27 C +ATOM 2862 CG PRO A 318 -26.973 -1.185 36.359 1.00 15.36 C +ATOM 2863 CD PRO A 318 -27.195 -1.267 34.861 1.00 14.60 C +ATOM 2864 HA PRO A 318 -24.825 -2.913 35.881 1.00 0.00 H +ATOM 2865 HB2 PRO A 318 -27.731 -3.086 36.717 1.00 0.00 H +ATOM 2866 HB3 PRO A 318 -26.251 -2.603 37.695 1.00 0.00 H +ATOM 2867 HG2 PRO A 318 -27.877 -0.807 36.837 1.00 0.00 H +ATOM 2868 HG3 PRO A 318 -26.061 -0.622 36.557 1.00 0.00 H +ATOM 2869 HD2 PRO A 318 -28.221 -1.579 34.667 1.00 0.00 H +ATOM 2870 HD3 PRO A 318 -26.867 -0.336 34.398 1.00 0.00 H +ATOM 2871 N GLU A 319 -27.205 -5.054 34.938 1.00 16.31 N +ATOM 2872 CA GLU A 319 -27.487 -6.486 34.742 1.00 15.26 C +ATOM 2873 C GLU A 319 -26.553 -7.164 33.728 1.00 16.19 C +ATOM 2874 O GLU A 319 -26.296 -8.359 33.817 1.00 16.07 O +ATOM 2875 CB GLU A 319 -28.963 -6.754 34.426 1.00 14.04 C +ATOM 2876 CG GLU A 319 -29.432 -6.241 33.079 1.00 13.34 C +ATOM 2877 CD GLU A 319 -30.000 -4.836 33.122 1.00 15.33 C +ATOM 2878 OE1 GLU A 319 -29.575 -3.976 33.945 1.00 16.51 O +ATOM 2879 OE2 GLU A 319 -30.893 -4.585 32.303 1.00 19.99 O1- +ATOM 2880 H GLU A 319 -27.902 -4.381 34.652 1.00 0.00 H +ATOM 2881 HA GLU A 319 -27.291 -6.966 35.701 1.00 0.00 H +ATOM 2882 HB2 GLU A 319 -29.157 -7.825 34.492 1.00 0.00 H +ATOM 2883 HB3 GLU A 319 -29.584 -6.324 35.212 1.00 0.00 H +ATOM 2884 HG2 GLU A 319 -28.604 -6.275 32.371 1.00 0.00 H +ATOM 2885 HG3 GLU A 319 -30.181 -6.921 32.674 1.00 0.00 H +ATOM 2886 N VAL A 320 -26.019 -6.408 32.778 1.00 14.15 N +ATOM 2887 CA VAL A 320 -25.008 -6.940 31.864 1.00 14.72 C +ATOM 2888 C VAL A 320 -23.688 -7.184 32.633 1.00 16.78 C +ATOM 2889 O VAL A 320 -23.019 -8.216 32.464 1.00 15.00 O +ATOM 2890 CB VAL A 320 -24.820 -6.020 30.604 1.00 15.32 C +ATOM 2891 CG1 VAL A 320 -23.720 -6.537 29.726 1.00 17.73 C +ATOM 2892 CG2 VAL A 320 -26.155 -5.903 29.829 1.00 13.64 C +ATOM 2893 H VAL A 320 -26.309 -5.446 32.675 1.00 0.00 H +ATOM 2894 HA VAL A 320 -25.364 -7.908 31.511 1.00 0.00 H +ATOM 2895 HB VAL A 320 -24.540 -5.025 30.949 1.00 0.00 H +ATOM 2896 HG11 VAL A 320 -23.608 -5.884 28.860 1.00 0.00 H +ATOM 2897 HG12 VAL A 320 -22.786 -6.558 30.287 1.00 0.00 H +ATOM 2898 HG13 VAL A 320 -23.965 -7.545 29.391 1.00 0.00 H +ATOM 2899 HG21 VAL A 320 -26.015 -5.264 28.957 1.00 0.00 H +ATOM 2900 HG22 VAL A 320 -26.475 -6.893 29.505 1.00 0.00 H +ATOM 2901 HG23 VAL A 320 -26.916 -5.470 30.478 1.00 0.00 H +ATOM 2902 N LEU A 321 -23.322 -6.235 33.487 1.00 17.56 N +ATOM 2903 CA LEU A 321 -22.098 -6.332 34.285 1.00 15.87 C +ATOM 2904 C LEU A 321 -22.190 -7.457 35.315 1.00 16.65 C +ATOM 2905 O LEU A 321 -21.202 -8.105 35.616 1.00 16.91 O +ATOM 2906 CB LEU A 321 -21.790 -4.998 34.967 1.00 18.27 C +ATOM 2907 CG LEU A 321 -21.264 -3.906 34.030 1.00 16.30 C +ATOM 2908 CD1 LEU A 321 -21.411 -2.531 34.701 1.00 18.55 C +ATOM 2909 CD2 LEU A 321 -19.833 -4.171 33.615 1.00 20.31 C +ATOM 2910 H LEU A 321 -23.895 -5.412 33.603 1.00 0.00 H +ATOM 2911 HA LEU A 321 -21.274 -6.562 33.609 1.00 0.00 H +ATOM 2912 HB2 LEU A 321 -22.684 -4.637 35.475 1.00 0.00 H +ATOM 2913 HB3 LEU A 321 -21.072 -5.161 35.770 1.00 0.00 H +ATOM 2914 HG LEU A 321 -21.881 -3.909 33.131 1.00 0.00 H +ATOM 2915 HD11 LEU A 321 -21.036 -1.757 34.031 1.00 0.00 H +ATOM 2916 HD12 LEU A 321 -22.462 -2.343 34.919 1.00 0.00 H +ATOM 2917 HD13 LEU A 321 -20.839 -2.516 35.629 1.00 0.00 H +ATOM 2918 HD21 LEU A 321 -19.494 -3.376 32.951 1.00 0.00 H +ATOM 2919 HD22 LEU A 321 -19.197 -4.201 34.500 1.00 0.00 H +ATOM 2920 HD23 LEU A 321 -19.776 -5.127 33.095 1.00 0.00 H +ATOM 2921 N GLU A 322 -23.383 -7.738 35.793 1.00 16.63 N +ATOM 2922 CA GLU A 322 -23.580 -8.846 36.735 1.00 18.04 C +ATOM 2923 C GLU A 322 -23.316 -10.204 36.065 1.00 18.87 C +ATOM 2924 O GLU A 322 -22.928 -11.155 36.730 1.00 18.30 O +ATOM 2925 CB GLU A 322 -24.980 -8.800 37.331 1.00 18.28 C +ATOM 2926 CG GLU A 322 -25.194 -7.664 38.312 1.00 20.17 C +ATOM 2927 CD GLU A 322 -24.512 -7.849 39.670 1.00 31.45 C +ATOM 2928 OE1 GLU A 322 -23.745 -8.821 39.889 1.00 29.74 O +ATOM 2929 OE2 GLU A 322 -24.741 -6.986 40.533 1.00 33.58 O1- +ATOM 2930 H GLU A 322 -24.182 -7.187 35.513 1.00 0.00 H +ATOM 2931 HA GLU A 322 -22.864 -8.727 37.548 1.00 0.00 H +ATOM 2932 HB2 GLU A 322 -25.713 -8.726 36.527 1.00 0.00 H +ATOM 2933 HB3 GLU A 322 -25.194 -9.748 37.824 1.00 0.00 H +ATOM 2934 HG2 GLU A 322 -24.855 -6.731 37.862 1.00 0.00 H +ATOM 2935 HG3 GLU A 322 -26.263 -7.514 38.463 1.00 0.00 H +ATOM 2936 N ASP A 323 -23.538 -10.271 34.750 1.00 17.92 N +ATOM 2937 CA ASP A 323 -23.232 -11.445 33.921 1.00 18.22 C +ATOM 2938 C ASP A 323 -23.985 -12.703 34.380 1.00 16.73 C +ATOM 2939 O ASP A 323 -23.429 -13.806 34.422 1.00 19.93 O +ATOM 2940 CB ASP A 323 -21.718 -11.687 33.864 1.00 17.42 C +ATOM 2941 CG ASP A 323 -21.259 -12.333 32.565 1.00 22.36 C +ATOM 2942 OD1 ASP A 323 -22.074 -12.562 31.649 1.00 24.56 O +ATOM 2943 OD2 ASP A 323 -20.053 -12.621 32.472 1.00 26.61 O1- +ATOM 2944 H ASP A 323 -23.941 -9.482 34.265 1.00 0.00 H +ATOM 2945 HA ASP A 323 -23.563 -11.221 32.907 1.00 0.00 H +ATOM 2946 HB2 ASP A 323 -21.195 -10.741 34.002 1.00 0.00 H +ATOM 2947 HB3 ASP A 323 -21.420 -12.313 34.705 1.00 0.00 H +ATOM 2948 N ASN A 324 -25.262 -12.523 34.670 1.00 17.93 N +ATOM 2949 CA ASN A 324 -26.143 -13.624 35.058 1.00 18.07 C +ATOM 2950 C ASN A 324 -27.482 -13.622 34.327 1.00 19.09 C +ATOM 2951 O ASN A 324 -28.511 -13.957 34.912 1.00 21.96 O +ATOM 2952 CB ASN A 324 -26.369 -13.579 36.571 1.00 17.34 C +ATOM 2953 CG ASN A 324 -26.905 -14.903 37.134 1.00 22.79 C +ATOM 2954 ND2 ASN A 324 -27.793 -14.807 38.104 1.00 22.07 N +ATOM 2955 OD1 ASN A 324 -26.514 -15.983 36.699 1.00 28.08 O +ATOM 2956 H ASN A 324 -25.664 -11.597 34.628 1.00 0.00 H +ATOM 2957 HA ASN A 324 -25.634 -14.559 34.823 1.00 0.00 H +ATOM 2958 HB2 ASN A 324 -25.433 -13.326 37.070 1.00 0.00 H +ATOM 2959 HB3 ASN A 324 -27.066 -12.776 36.809 1.00 0.00 H +ATOM 2960 HD21 ASN A 324 -28.083 -13.898 38.435 1.00 0.00 H +ATOM 2961 HD22 ASN A 324 -28.183 -15.643 38.516 1.00 0.00 H +ATOM 2962 N ASP A 325 -27.427 -13.250 33.042 1.00 19.68 N +ATOM 2963 CA ASP A 325 -28.579 -13.179 32.120 1.00 21.14 C +ATOM 2964 C ASP A 325 -29.300 -11.841 32.223 1.00 18.59 C +ATOM 2965 O ASP A 325 -29.393 -11.252 33.292 1.00 19.19 O +ATOM 2966 CB ASP A 325 -29.615 -14.301 32.324 1.00 23.01 C +ATOM 2967 CG ASP A 325 -29.075 -15.683 31.994 1.00 27.72 C +ATOM 2968 OD1 ASP A 325 -28.046 -15.806 31.307 1.00 32.50 O +ATOM 2969 OD2 ASP A 325 -29.722 -16.656 32.414 1.00 39.14 O1- +ATOM 2970 H ASP A 325 -26.543 -12.988 32.629 1.00 0.00 H +ATOM 2971 HA ASP A 325 -28.194 -13.268 31.104 1.00 0.00 H +ATOM 2972 HB2 ASP A 325 -29.966 -14.286 33.356 1.00 0.00 H +ATOM 2973 HB3 ASP A 325 -30.493 -14.099 31.710 1.00 0.00 H +ATOM 2974 N TYR A 326 -29.837 -11.387 31.098 1.00 15.74 N +ATOM 2975 CA TYR A 326 -30.533 -10.103 31.039 1.00 15.64 C +ATOM 2976 C TYR A 326 -31.553 -10.125 29.898 1.00 16.39 C +ATOM 2977 O TYR A 326 -31.521 -10.989 29.044 1.00 17.10 O +ATOM 2978 CB TYR A 326 -29.528 -8.945 30.894 1.00 15.97 C +ATOM 2979 CG TYR A 326 -28.651 -9.047 29.685 1.00 14.47 C +ATOM 2980 CD1 TYR A 326 -27.439 -9.714 29.722 1.00 13.36 C +ATOM 2981 CD2 TYR A 326 -29.065 -8.514 28.456 1.00 14.83 C +ATOM 2982 CE1 TYR A 326 -26.654 -9.820 28.601 1.00 13.92 C +ATOM 2983 CE2 TYR A 326 -28.290 -8.630 27.314 1.00 17.98 C +ATOM 2984 CZ TYR A 326 -27.084 -9.277 27.385 1.00 14.23 C +ATOM 2985 OH TYR A 326 -26.266 -9.392 26.282 1.00 18.00 O +ATOM 2986 H TYR A 326 -29.771 -11.933 30.251 1.00 0.00 H +ATOM 2987 HA TYR A 326 -31.074 -9.967 31.975 1.00 0.00 H +ATOM 2988 HB2 TYR A 326 -30.068 -7.999 30.870 1.00 0.00 H +ATOM 2989 HB3 TYR A 326 -28.906 -8.892 31.788 1.00 0.00 H +ATOM 2990 HD1 TYR A 326 -27.097 -10.162 30.643 1.00 0.00 H +ATOM 2991 HD2 TYR A 326 -30.010 -7.997 28.383 1.00 0.00 H +ATOM 2992 HE1 TYR A 326 -25.700 -10.324 28.655 1.00 0.00 H +ATOM 2993 HE2 TYR A 326 -28.638 -8.213 26.381 1.00 0.00 H +ATOM 2994 HH TYR A 326 -26.687 -8.977 25.526 1.00 0.00 H +ATOM 2995 N GLY A 327 -32.460 -9.163 29.916 1.00 18.53 N +ATOM 2996 CA GLY A 327 -33.522 -9.067 28.938 1.00 18.88 C +ATOM 2997 C GLY A 327 -33.492 -7.745 28.186 1.00 16.73 C +ATOM 2998 O GLY A 327 -32.525 -6.973 28.241 1.00 16.04 O +ATOM 2999 H GLY A 327 -32.430 -8.454 30.634 1.00 0.00 H +ATOM 3000 HA2 GLY A 327 -33.437 -9.890 28.228 1.00 0.00 H +ATOM 3001 HA3 GLY A 327 -34.485 -9.179 29.436 1.00 0.00 H +ATOM 3002 N ARG A 328 -34.570 -7.514 27.458 1.00 15.75 N +ATOM 3003 CA ARG A 328 -34.667 -6.417 26.501 1.00 17.25 C +ATOM 3004 C ARG A 328 -34.609 -5.026 27.137 1.00 17.07 C +ATOM 3005 O ARG A 328 -34.349 -4.056 26.444 1.00 16.68 O +ATOM 3006 CB ARG A 328 -35.932 -6.561 25.657 1.00 17.87 C +ATOM 3007 CG ARG A 328 -37.193 -6.420 26.435 1.00 20.42 C +ATOM 3008 CD ARG A 328 -38.404 -6.793 25.614 1.00 23.56 C +ATOM 3009 NE ARG A 328 -39.588 -6.704 26.453 1.00 24.15 N +ATOM 3010 CZ ARG A 328 -40.827 -6.982 26.062 1.00 33.52 C +ATOM 3011 NH1 ARG A 328 -41.066 -7.352 24.810 1.00 34.65 N1+ +ATOM 3012 NH2 ARG A 328 -41.830 -6.866 26.934 1.00 32.73 N1+ +ATOM 3013 H ARG A 328 -35.379 -8.111 27.550 1.00 0.00 H +ATOM 3014 HA ARG A 328 -33.816 -6.500 25.825 1.00 0.00 H +ATOM 3015 HB2 ARG A 328 -35.918 -5.823 24.855 1.00 0.00 H +ATOM 3016 HB3 ARG A 328 -35.923 -7.528 25.155 1.00 0.00 H +ATOM 3017 HG2 ARG A 328 -37.146 -7.054 27.320 1.00 0.00 H +ATOM 3018 HG3 ARG A 328 -37.292 -5.391 26.781 1.00 0.00 H +ATOM 3019 HD2 ARG A 328 -38.501 -6.103 24.775 1.00 0.00 H +ATOM 3020 HD3 ARG A 328 -38.294 -7.814 25.248 1.00 0.00 H +ATOM 3021 HE ARG A 328 -39.413 -6.404 27.401 1.00 0.00 H +ATOM 3022 HH11 ARG A 328 -40.305 -7.423 24.150 1.00 0.00 H +ATOM 3023 HH12 ARG A 328 -42.009 -7.562 24.517 1.00 0.00 H +ATOM 3024 HH21 ARG A 328 -41.644 -6.569 27.881 1.00 0.00 H +ATOM 3025 HH22 ARG A 328 -42.776 -7.075 26.647 1.00 0.00 H +ATOM 3026 N ALA A 329 -34.809 -4.934 28.451 1.00 15.95 N +ATOM 3027 CA ALA A 329 -34.714 -3.650 29.150 1.00 12.86 C +ATOM 3028 C ALA A 329 -33.309 -3.056 29.168 1.00 13.18 C +ATOM 3029 O ALA A 329 -33.144 -1.895 29.515 1.00 13.77 O +ATOM 3030 CB ALA A 329 -35.240 -3.765 30.578 1.00 14.10 C +ATOM 3031 H ALA A 329 -35.031 -5.761 28.987 1.00 0.00 H +ATOM 3032 HA ALA A 329 -35.357 -2.945 28.623 1.00 0.00 H +ATOM 3033 HB1 ALA A 329 -35.158 -2.798 31.075 1.00 0.00 H +ATOM 3034 HB2 ALA A 329 -36.285 -4.075 30.557 1.00 0.00 H +ATOM 3035 HB3 ALA A 329 -34.653 -4.504 31.123 1.00 0.00 H +ATOM 3036 N VAL A 330 -32.300 -3.828 28.783 1.00 14.38 N +ATOM 3037 CA VAL A 330 -30.978 -3.257 28.569 1.00 15.86 C +ATOM 3038 C VAL A 330 -31.015 -2.079 27.580 1.00 13.18 C +ATOM 3039 O VAL A 330 -30.306 -1.101 27.763 1.00 12.34 O +ATOM 3040 CB VAL A 330 -29.911 -4.282 28.110 1.00 18.08 C +ATOM 3041 CG1 VAL A 330 -29.627 -5.286 29.219 1.00 22.90 C +ATOM 3042 CG2 VAL A 330 -30.290 -4.944 26.754 1.00 13.44 C +ATOM 3043 H VAL A 330 -32.448 -4.816 28.637 1.00 0.00 H +ATOM 3044 HA VAL A 330 -30.645 -2.858 29.527 1.00 0.00 H +ATOM 3045 HB VAL A 330 -28.989 -3.725 27.943 1.00 0.00 H +ATOM 3046 HG11 VAL A 330 -28.875 -5.999 28.881 1.00 0.00 H +ATOM 3047 HG12 VAL A 330 -29.258 -4.761 30.100 1.00 0.00 H +ATOM 3048 HG13 VAL A 330 -30.544 -5.818 29.472 1.00 0.00 H +ATOM 3049 HG21 VAL A 330 -29.516 -5.656 26.468 1.00 0.00 H +ATOM 3050 HG22 VAL A 330 -31.242 -5.465 26.857 1.00 0.00 H +ATOM 3051 HG23 VAL A 330 -30.378 -4.176 25.986 1.00 0.00 H +ATOM 3052 N ASP A 331 -31.858 -2.158 26.544 1.00 11.18 N +ATOM 3053 CA ASP A 331 -32.015 -1.025 25.608 1.00 10.87 C +ATOM 3054 C ASP A 331 -32.515 0.270 26.261 1.00 10.72 C +ATOM 3055 O ASP A 331 -32.113 1.384 25.854 1.00 10.08 O +ATOM 3056 CB ASP A 331 -32.912 -1.415 24.442 1.00 12.22 C +ATOM 3057 CG ASP A 331 -32.194 -2.311 23.409 1.00 14.99 C +ATOM 3058 OD1 ASP A 331 -30.931 -2.421 23.371 1.00 12.12 O +ATOM 3059 OD2 ASP A 331 -32.936 -2.954 22.655 1.00 13.62 O1- +ATOM 3060 H ASP A 331 -32.397 -2.999 26.394 1.00 0.00 H +ATOM 3061 HA ASP A 331 -31.029 -0.814 25.195 1.00 0.00 H +ATOM 3062 HB2 ASP A 331 -33.793 -1.933 24.820 1.00 0.00 H +ATOM 3063 HB3 ASP A 331 -33.277 -0.514 23.949 1.00 0.00 H +ATOM 3064 N TRP A 332 -33.306 0.129 27.314 1.00 12.36 N +ATOM 3065 CA TRP A 332 -33.831 1.314 28.001 1.00 13.47 C +ATOM 3066 C TRP A 332 -32.810 1.989 28.916 1.00 13.28 C +ATOM 3067 O TRP A 332 -32.840 3.193 29.067 1.00 12.11 O +ATOM 3068 CB TRP A 332 -35.129 0.998 28.715 1.00 12.04 C +ATOM 3069 CG TRP A 332 -36.147 0.356 27.794 1.00 11.45 C +ATOM 3070 CD1 TRP A 332 -36.872 -0.757 28.061 1.00 14.51 C +ATOM 3071 CD2 TRP A 332 -36.526 0.764 26.461 1.00 13.00 C +ATOM 3072 CE2 TRP A 332 -37.511 -0.144 26.019 1.00 16.49 C +ATOM 3073 CE3 TRP A 332 -36.156 1.828 25.619 1.00 18.09 C +ATOM 3074 NE1 TRP A 332 -37.682 -1.071 27.012 1.00 15.28 N +ATOM 3075 CZ2 TRP A 332 -38.106 -0.053 24.754 1.00 17.32 C +ATOM 3076 CZ3 TRP A 332 -36.753 1.923 24.365 1.00 21.98 C +ATOM 3077 CH2 TRP A 332 -37.723 0.979 23.946 1.00 21.36 C +ATOM 3078 H TRP A 332 -33.548 -0.794 27.644 1.00 0.00 H +ATOM 3079 HA TRP A 332 -34.075 2.038 27.224 1.00 0.00 H +ATOM 3080 HB2 TRP A 332 -34.928 0.332 29.554 1.00 0.00 H +ATOM 3081 HB3 TRP A 332 -35.545 1.915 29.133 1.00 0.00 H +ATOM 3082 HD1 TRP A 332 -36.756 -1.262 29.008 1.00 0.00 H +ATOM 3083 HE1 TRP A 332 -38.279 -1.884 27.061 1.00 0.00 H +ATOM 3084 HE3 TRP A 332 -35.423 2.549 25.950 1.00 0.00 H +ATOM 3085 HZ2 TRP A 332 -38.840 -0.784 24.449 1.00 0.00 H +ATOM 3086 HZ3 TRP A 332 -36.479 2.725 23.696 1.00 0.00 H +ATOM 3087 HH2 TRP A 332 -38.162 1.088 22.965 1.00 0.00 H +ATOM 3088 N TRP A 333 -31.894 1.197 29.476 1.00 10.12 N +ATOM 3089 CA TRP A 333 -30.713 1.711 30.152 1.00 13.04 C +ATOM 3090 C TRP A 333 -29.880 2.537 29.157 1.00 10.50 C +ATOM 3091 O TRP A 333 -29.459 3.674 29.438 1.00 10.19 O +ATOM 3092 CB TRP A 333 -29.881 0.557 30.748 1.00 14.48 C +ATOM 3093 CG TRP A 333 -28.611 1.055 31.333 1.00 10.76 C +ATOM 3094 CD1 TRP A 333 -27.417 1.253 30.687 1.00 11.77 C +ATOM 3095 CD2 TRP A 333 -28.397 1.477 32.694 1.00 12.68 C +ATOM 3096 CE2 TRP A 333 -27.069 1.918 32.783 1.00 12.43 C +ATOM 3097 CE3 TRP A 333 -29.196 1.520 33.839 1.00 14.40 C +ATOM 3098 NE1 TRP A 333 -26.492 1.755 31.551 1.00 14.58 N +ATOM 3099 CZ2 TRP A 333 -26.510 2.393 33.985 1.00 13.95 C +ATOM 3100 CZ3 TRP A 333 -28.631 2.001 35.040 1.00 13.63 C +ATOM 3101 CH2 TRP A 333 -27.302 2.430 35.091 1.00 15.84 C +ATOM 3102 H TRP A 333 -32.005 0.194 29.441 1.00 0.00 H +ATOM 3103 HA TRP A 333 -31.033 2.364 30.964 1.00 0.00 H +ATOM 3104 HB2 TRP A 333 -30.462 0.051 31.519 1.00 0.00 H +ATOM 3105 HB3 TRP A 333 -29.660 -0.172 29.968 1.00 0.00 H +ATOM 3106 HD1 TRP A 333 -27.324 1.013 29.638 1.00 0.00 H +ATOM 3107 HE1 TRP A 333 -25.552 1.943 31.232 1.00 0.00 H +ATOM 3108 HE3 TRP A 333 -30.223 1.189 33.793 1.00 0.00 H +ATOM 3109 HZ2 TRP A 333 -25.480 2.715 34.011 1.00 0.00 H +ATOM 3110 HZ3 TRP A 333 -29.228 2.042 35.939 1.00 0.00 H +ATOM 3111 HH2 TRP A 333 -26.906 2.795 36.027 1.00 0.00 H +ATOM 3112 N GLY A 334 -29.625 1.948 27.992 1.00 11.61 N +ATOM 3113 CA GLY A 334 -28.909 2.634 26.932 1.00 11.15 C +ATOM 3114 C GLY A 334 -29.583 3.946 26.552 1.00 11.15 C +ATOM 3115 O GLY A 334 -28.905 4.971 26.399 1.00 11.37 O +ATOM 3116 H GLY A 334 -29.932 1.000 27.828 1.00 0.00 H +ATOM 3117 HA2 GLY A 334 -27.887 2.831 27.254 1.00 0.00 H +ATOM 3118 HA3 GLY A 334 -28.852 1.988 26.056 1.00 0.00 H +ATOM 3119 N LEU A 335 -30.909 3.934 26.417 1.00 9.87 N +ATOM 3120 CA LEU A 335 -31.638 5.163 26.130 1.00 13.79 C +ATOM 3121 C LEU A 335 -31.388 6.215 27.231 1.00 10.17 C +ATOM 3122 O LEU A 335 -31.143 7.397 26.950 1.00 10.62 O +ATOM 3123 CB LEU A 335 -33.135 4.867 25.967 1.00 12.68 C +ATOM 3124 CG LEU A 335 -34.013 6.091 25.687 1.00 7.95 C +ATOM 3125 CD1 LEU A 335 -33.700 6.651 24.297 1.00 14.23 C +ATOM 3126 CD2 LEU A 335 -35.530 5.791 25.833 1.00 10.74 C +ATOM 3127 H LEU A 335 -31.419 3.067 26.514 1.00 0.00 H +ATOM 3128 HA LEU A 335 -31.267 5.565 25.187 1.00 0.00 H +ATOM 3129 HB2 LEU A 335 -33.273 4.135 25.172 1.00 0.00 H +ATOM 3130 HB3 LEU A 335 -33.501 4.357 26.858 1.00 0.00 H +ATOM 3131 HG LEU A 335 -33.755 6.857 26.418 1.00 0.00 H +ATOM 3132 HD11 LEU A 335 -34.328 7.521 24.105 1.00 0.00 H +ATOM 3133 HD12 LEU A 335 -32.651 6.944 24.250 1.00 0.00 H +ATOM 3134 HD13 LEU A 335 -33.898 5.888 23.544 1.00 0.00 H +ATOM 3135 HD21 LEU A 335 -36.102 6.695 25.623 1.00 0.00 H +ATOM 3136 HD22 LEU A 335 -35.816 5.009 25.129 1.00 0.00 H +ATOM 3137 HD23 LEU A 335 -35.739 5.458 26.850 1.00 0.00 H +ATOM 3138 N GLY A 336 -31.476 5.783 28.493 1.00 11.32 N +ATOM 3139 CA GLY A 336 -31.123 6.641 29.629 1.00 13.73 C +ATOM 3140 C GLY A 336 -29.742 7.271 29.516 1.00 11.35 C +ATOM 3141 O GLY A 336 -29.603 8.472 29.711 1.00 10.31 O +ATOM 3142 H GLY A 336 -31.792 4.843 28.684 1.00 0.00 H +ATOM 3143 HA2 GLY A 336 -31.871 7.427 29.735 1.00 0.00 H +ATOM 3144 HA3 GLY A 336 -31.182 6.063 30.551 1.00 0.00 H +ATOM 3145 N VAL A 337 -28.706 6.478 29.211 1.00 9.92 N +ATOM 3146 CA VAL A 337 -27.354 7.025 29.091 1.00 12.43 C +ATOM 3147 C VAL A 337 -27.252 8.084 27.987 1.00 11.87 C +ATOM 3148 O VAL A 337 -26.730 9.181 28.224 1.00 11.20 O +ATOM 3149 CB VAL A 337 -26.301 5.924 28.871 1.00 12.56 C +ATOM 3150 CG1 VAL A 337 -24.927 6.528 28.754 1.00 11.01 C +ATOM 3151 CG2 VAL A 337 -26.316 4.939 30.012 1.00 13.95 C +ATOM 3152 H VAL A 337 -28.853 5.490 29.061 1.00 0.00 H +ATOM 3153 HA VAL A 337 -27.118 7.516 30.035 1.00 0.00 H +ATOM 3154 HB VAL A 337 -26.533 5.395 27.947 1.00 0.00 H +ATOM 3155 HG11 VAL A 337 -24.194 5.737 28.599 1.00 0.00 H +ATOM 3156 HG12 VAL A 337 -24.903 7.216 27.909 1.00 0.00 H +ATOM 3157 HG13 VAL A 337 -24.688 7.069 29.670 1.00 0.00 H +ATOM 3158 HG21 VAL A 337 -25.565 4.169 29.838 1.00 0.00 H +ATOM 3159 HG22 VAL A 337 -26.094 5.458 30.944 1.00 0.00 H +ATOM 3160 HG23 VAL A 337 -27.301 4.477 30.081 1.00 0.00 H +ATOM 3161 N VAL A 338 -27.753 7.768 26.793 1.00 10.55 N +ATOM 3162 CA VAL A 338 -27.673 8.727 25.695 1.00 11.52 C +ATOM 3163 C VAL A 338 -28.471 10.004 25.977 1.00 9.52 C +ATOM 3164 O VAL A 338 -27.995 11.102 25.722 1.00 9.26 O +ATOM 3165 CB VAL A 338 -28.059 8.137 24.311 1.00 11.88 C +ATOM 3166 CG1 VAL A 338 -27.160 6.970 23.935 1.00 15.50 C +ATOM 3167 CG2 VAL A 338 -29.476 7.714 24.252 1.00 19.10 C +ATOM 3168 H VAL A 338 -28.187 6.867 26.650 1.00 0.00 H +ATOM 3169 HA VAL A 338 -26.627 9.026 25.622 1.00 0.00 H +ATOM 3170 HB VAL A 338 -27.915 8.919 23.566 1.00 0.00 H +ATOM 3171 HG11 VAL A 338 -27.457 6.581 22.961 1.00 0.00 H +ATOM 3172 HG12 VAL A 338 -26.125 7.308 23.890 1.00 0.00 H +ATOM 3173 HG13 VAL A 338 -27.253 6.183 24.684 1.00 0.00 H +ATOM 3174 HG21 VAL A 338 -29.694 7.309 23.264 1.00 0.00 H +ATOM 3175 HG22 VAL A 338 -29.659 6.949 25.006 1.00 0.00 H +ATOM 3176 HG23 VAL A 338 -30.120 8.572 24.443 1.00 0.00 H +ATOM 3177 N MET A 339 -29.670 9.856 26.534 1.00 10.72 N +ATOM 3178 CA MET A 339 -30.479 11.030 26.835 0.50 11.66 C +ATOM 3179 C MET A 339 -29.879 11.841 27.977 1.00 9.79 C +ATOM 3180 O MET A 339 -29.942 13.070 27.964 1.00 11.67 O +ATOM 3181 CB MET A 339 -31.928 10.654 27.118 0.50 8.35 C +ATOM 3182 CG MET A 339 -32.675 10.204 25.875 0.50 5.92 C +ATOM 3183 SD MET A 339 -34.443 9.983 26.031 0.50 5.26 S +ATOM 3184 CE MET A 339 -34.980 11.676 26.211 0.50 9.88 C +ATOM 3185 H MET A 339 -30.017 8.932 26.747 1.00 0.00 H +ATOM 3186 HA MET A 339 -30.475 11.664 25.948 0.50 0.00 H +ATOM 3187 HB2 MET A 339 -31.957 9.861 27.865 0.50 0.00 H +ATOM 3188 HB3 MET A 339 -32.443 11.506 27.562 0.50 0.00 H +ATOM 3189 HG2 MET A 339 -32.471 10.901 25.062 0.50 0.00 H +ATOM 3190 HG3 MET A 339 -32.230 9.281 25.503 0.50 0.00 H +ATOM 3191 HE1 MET A 339 -36.064 11.704 26.319 0.50 0.00 H +ATOM 3192 HE2 MET A 339 -34.516 12.113 27.095 0.50 0.00 H +ATOM 3193 HE3 MET A 339 -34.688 12.246 25.329 0.50 0.00 H +ATOM 3194 N TYR A 340 -29.269 11.162 28.949 1.00 11.42 N +ATOM 3195 CA TYR A 340 -28.514 11.839 30.006 1.00 13.83 C +ATOM 3196 C TYR A 340 -27.382 12.674 29.394 1.00 12.84 C +ATOM 3197 O TYR A 340 -27.192 13.845 29.740 1.00 10.88 O +ATOM 3198 CB TYR A 340 -27.943 10.824 30.996 1.00 12.59 C +ATOM 3199 CG TYR A 340 -27.306 11.444 32.224 1.00 9.93 C +ATOM 3200 CD1 TYR A 340 -26.041 12.033 32.136 1.00 12.05 C +ATOM 3201 CD2 TYR A 340 -27.924 11.403 33.466 1.00 13.86 C +ATOM 3202 CE1 TYR A 340 -25.436 12.610 33.245 1.00 13.75 C +ATOM 3203 CE2 TYR A 340 -27.321 11.974 34.599 1.00 13.30 C +ATOM 3204 CZ TYR A 340 -26.076 12.582 34.465 1.00 14.66 C +ATOM 3205 OH TYR A 340 -25.435 13.160 35.555 1.00 17.68 O +ATOM 3206 H TYR A 340 -29.320 10.154 28.970 1.00 0.00 H +ATOM 3207 HA TYR A 340 -29.188 12.507 30.542 1.00 0.00 H +ATOM 3208 HB2 TYR A 340 -28.732 10.138 31.305 1.00 0.00 H +ATOM 3209 HB3 TYR A 340 -27.211 10.196 30.488 1.00 0.00 H +ATOM 3210 HD1 TYR A 340 -25.515 12.045 31.193 1.00 0.00 H +ATOM 3211 HD2 TYR A 340 -28.887 10.926 33.575 1.00 0.00 H +ATOM 3212 HE1 TYR A 340 -24.468 13.078 33.149 1.00 0.00 H +ATOM 3213 HE2 TYR A 340 -27.823 11.937 35.554 1.00 0.00 H +ATOM 3214 HH TYR A 340 -25.987 13.071 36.335 1.00 0.00 H +ATOM 3215 N GLU A 341 -26.606 12.069 28.497 1.00 11.03 N +ATOM 3216 CA GLU A 341 -25.514 12.778 27.809 1.00 10.39 C +ATOM 3217 C GLU A 341 -26.041 14.002 27.065 1.00 11.67 C +ATOM 3218 O GLU A 341 -25.458 15.072 27.144 1.00 13.25 O +ATOM 3219 CB GLU A 341 -24.760 11.869 26.837 1.00 11.66 C +ATOM 3220 CG GLU A 341 -23.778 10.900 27.512 1.00 9.30 C +ATOM 3221 CD GLU A 341 -23.128 10.005 26.490 1.00 11.21 C +ATOM 3222 OE1 GLU A 341 -23.795 9.096 25.955 1.00 14.24 O +ATOM 3223 OE2 GLU A 341 -21.928 10.227 26.246 1.00 19.44 O1- +ATOM 3224 H GLU A 341 -26.758 11.096 28.272 1.00 0.00 H +ATOM 3225 HA GLU A 341 -24.808 13.122 28.565 1.00 0.00 H +ATOM 3226 HB2 GLU A 341 -25.477 11.302 26.243 1.00 0.00 H +ATOM 3227 HB3 GLU A 341 -24.223 12.481 26.113 1.00 0.00 H +ATOM 3228 HG2 GLU A 341 -23.010 11.468 28.037 1.00 0.00 H +ATOM 3229 HG3 GLU A 341 -24.313 10.291 28.241 1.00 0.00 H +ATOM 3230 N MET A 342 -27.188 13.859 26.402 1.00 11.40 N +ATOM 3231 CA MET A 342 -27.728 14.947 25.612 1.00 13.01 C +ATOM 3232 C MET A 342 -28.140 16.130 26.481 1.00 13.72 C +ATOM 3233 O MET A 342 -27.862 17.281 26.141 1.00 16.22 O +ATOM 3234 CB MET A 342 -28.938 14.466 24.801 1.00 13.54 C +ATOM 3235 CG MET A 342 -28.606 13.558 23.614 1.00 14.07 C +ATOM 3236 SD MET A 342 -30.153 13.118 22.792 1.00 19.58 S +ATOM 3237 CE MET A 342 -29.878 11.414 22.323 1.00 27.54 C +ATOM 3238 H MET A 342 -27.691 12.985 26.447 1.00 0.00 H +ATOM 3239 HA MET A 342 -26.959 15.282 24.916 1.00 0.00 H +ATOM 3240 HB2 MET A 342 -29.635 13.953 25.464 1.00 0.00 H +ATOM 3241 HB3 MET A 342 -29.501 15.330 24.448 1.00 0.00 H +ATOM 3242 HG2 MET A 342 -27.964 14.094 22.915 1.00 0.00 H +ATOM 3243 HG3 MET A 342 -28.117 12.653 23.975 1.00 0.00 H +ATOM 3244 HE1 MET A 342 -30.760 11.031 21.809 1.00 0.00 H +ATOM 3245 HE2 MET A 342 -29.016 11.354 21.659 1.00 0.00 H +ATOM 3246 HE3 MET A 342 -29.690 10.817 23.215 1.00 0.00 H +ATOM 3247 N MET A 343 -28.776 15.841 27.602 1.00 13.68 N +ATOM 3248 CA MET A 343 -29.326 16.905 28.454 1.00 16.29 C +ATOM 3249 C MET A 343 -28.366 17.433 29.513 1.00 18.01 C +ATOM 3250 O MET A 343 -28.455 18.602 29.862 1.00 18.40 O +ATOM 3251 CB MET A 343 -30.638 16.456 29.079 1.00 16.55 C +ATOM 3252 CG MET A 343 -31.734 16.366 28.018 1.00 17.57 C +ATOM 3253 SD MET A 343 -33.384 16.035 28.635 1.00 17.74 S +ATOM 3254 CE MET A 343 -33.279 14.290 28.957 1.00 20.74 C +ATOM 3255 H MET A 343 -28.890 14.878 27.884 1.00 0.00 H +ATOM 3256 HA MET A 343 -29.561 17.743 27.798 1.00 0.00 H +ATOM 3257 HB2 MET A 343 -30.503 15.480 29.545 1.00 0.00 H +ATOM 3258 HB3 MET A 343 -30.936 17.168 29.849 1.00 0.00 H +ATOM 3259 HG2 MET A 343 -31.746 17.286 27.434 1.00 0.00 H +ATOM 3260 HG3 MET A 343 -31.464 15.605 27.285 1.00 0.00 H +ATOM 3261 HE1 MET A 343 -34.232 13.934 29.347 1.00 0.00 H +ATOM 3262 HE2 MET A 343 -33.046 13.763 28.032 1.00 0.00 H +ATOM 3263 HE3 MET A 343 -32.494 14.102 29.690 1.00 0.00 H +ATOM 3264 N CYS A 344 -27.440 16.584 29.971 1.00 16.81 N +ATOM 3265 CA CYS A 344 -26.506 16.907 31.043 1.00 16.30 C +ATOM 3266 C CYS A 344 -25.072 17.178 30.600 1.00 16.86 C +ATOM 3267 O CYS A 344 -24.299 17.746 31.377 1.00 17.98 O +ATOM 3268 CB CYS A 344 -26.517 15.803 32.111 1.00 15.86 C +ATOM 3269 SG CYS A 344 -28.129 15.454 32.743 1.00 18.11 S +ATOM 3270 H CYS A 344 -27.360 15.660 29.571 1.00 0.00 H +ATOM 3271 HA CYS A 344 -26.870 17.817 31.520 1.00 0.00 H +ATOM 3272 HB2 CYS A 344 -26.087 14.892 31.694 1.00 0.00 H +ATOM 3273 HB3 CYS A 344 -25.860 16.088 32.933 1.00 0.00 H +ATOM 3274 HG CYS A 344 -28.048 14.487 33.662 1.00 0.00 H +ATOM 3275 N GLY A 345 -24.697 16.774 29.385 1.00 15.95 N +ATOM 3276 CA GLY A 345 -23.390 17.118 28.819 1.00 16.60 C +ATOM 3277 C GLY A 345 -22.210 16.270 29.297 1.00 16.81 C +ATOM 3278 O GLY A 345 -21.053 16.651 29.117 1.00 19.00 O +ATOM 3279 H GLY A 345 -25.322 16.213 28.824 1.00 0.00 H +ATOM 3280 HA2 GLY A 345 -23.447 17.075 27.731 1.00 0.00 H +ATOM 3281 HA3 GLY A 345 -23.179 18.170 29.014 1.00 0.00 H +ATOM 3282 N ARG A 346 -22.514 15.127 29.909 1.00 14.55 N +ATOM 3283 CA ARG A 346 -21.515 14.187 30.395 0.50 13.39 C +ATOM 3284 C ARG A 346 -22.149 12.811 30.542 1.00 13.48 C +ATOM 3285 O ARG A 346 -23.357 12.697 30.591 1.00 12.02 O +ATOM 3286 CB ARG A 346 -20.937 14.653 31.746 0.50 14.28 C +ATOM 3287 CG ARG A 346 -21.969 15.034 32.815 0.50 16.66 C +ATOM 3288 CD ARG A 346 -21.338 15.213 34.213 0.50 15.46 C +ATOM 3289 NE ARG A 346 -22.340 15.142 35.281 0.50 19.14 N +ATOM 3290 CZ ARG A 346 -22.946 16.189 35.845 0.50 12.96 C +ATOM 3291 NH1 ARG A 346 -22.669 17.422 35.469 0.50 13.63 N1+ +ATOM 3292 NH2 ARG A 346 -23.841 15.984 36.793 0.50 16.13 N1+ +ATOM 3293 H ARG A 346 -23.481 14.875 30.057 1.00 0.00 H +ATOM 3294 HA ARG A 346 -20.705 14.126 29.668 0.50 0.00 H +ATOM 3295 HB2 ARG A 346 -20.278 13.880 32.141 0.50 0.00 H +ATOM 3296 HB3 ARG A 346 -20.265 15.494 31.579 0.50 0.00 H +ATOM 3297 HG2 ARG A 346 -22.470 15.957 32.523 0.50 0.00 H +ATOM 3298 HG3 ARG A 346 -22.742 14.267 32.862 0.50 0.00 H +ATOM 3299 HD2 ARG A 346 -20.584 14.442 34.372 0.50 0.00 H +ATOM 3300 HD3 ARG A 346 -20.826 16.174 34.259 0.50 0.00 H +ATOM 3301 HE ARG A 346 -22.562 14.205 35.587 0.50 0.00 H +ATOM 3302 HH11 ARG A 346 -21.988 17.587 34.742 0.50 0.00 H +ATOM 3303 HH12 ARG A 346 -23.138 18.201 35.908 0.50 0.00 H +ATOM 3304 HH21 ARG A 346 -24.061 15.042 37.085 0.50 0.00 H +ATOM 3305 HH22 ARG A 346 -24.306 16.769 37.227 0.50 0.00 H +ATOM 3306 N LEU A 347 -21.330 11.771 30.647 1.00 13.54 N +ATOM 3307 CA LEU A 347 -21.830 10.450 30.996 1.00 13.47 C +ATOM 3308 C LEU A 347 -22.351 10.433 32.435 1.00 14.10 C +ATOM 3309 O LEU A 347 -21.857 11.167 33.280 1.00 15.63 O +ATOM 3310 CB LEU A 347 -20.714 9.427 30.851 1.00 13.97 C +ATOM 3311 CG LEU A 347 -20.370 9.080 29.409 1.00 14.56 C +ATOM 3312 CD1 LEU A 347 -18.962 8.542 29.372 1.00 22.06 C +ATOM 3313 CD2 LEU A 347 -21.396 8.083 28.818 1.00 16.88 C +ATOM 3314 H LEU A 347 -20.340 11.889 30.484 1.00 0.00 H +ATOM 3315 HA LEU A 347 -22.644 10.187 30.320 1.00 0.00 H +ATOM 3316 HB2 LEU A 347 -19.821 9.793 31.358 1.00 0.00 H +ATOM 3317 HB3 LEU A 347 -20.986 8.517 31.386 1.00 0.00 H +ATOM 3318 HG LEU A 347 -20.403 9.996 28.819 1.00 0.00 H +ATOM 3319 HD11 LEU A 347 -18.697 8.287 28.346 1.00 0.00 H +ATOM 3320 HD12 LEU A 347 -18.273 9.299 29.748 1.00 0.00 H +ATOM 3321 HD13 LEU A 347 -18.897 7.650 29.996 1.00 0.00 H +ATOM 3322 HD21 LEU A 347 -21.127 7.852 27.787 1.00 0.00 H +ATOM 3323 HD22 LEU A 347 -21.394 7.166 29.408 1.00 0.00 H +ATOM 3324 HD23 LEU A 347 -22.391 8.528 28.842 1.00 0.00 H +ATOM 3325 N PRO A 348 -23.344 9.587 32.719 1.00 14.20 N +ATOM 3326 CA PRO A 348 -23.830 9.485 34.101 1.00 14.69 C +ATOM 3327 C PRO A 348 -22.776 8.912 35.037 1.00 15.91 C +ATOM 3328 O PRO A 348 -22.734 9.293 36.195 1.00 16.61 O +ATOM 3329 CB PRO A 348 -25.078 8.578 33.982 1.00 17.43 C +ATOM 3330 CG PRO A 348 -24.901 7.831 32.706 1.00 14.42 C +ATOM 3331 CD PRO A 348 -24.096 8.716 31.797 1.00 13.43 C +ATOM 3332 HA PRO A 348 -24.131 10.472 34.454 1.00 0.00 H +ATOM 3333 HB2 PRO A 348 -25.094 7.874 34.814 1.00 0.00 H +ATOM 3334 HB3 PRO A 348 -25.971 9.199 33.917 1.00 0.00 H +ATOM 3335 HG2 PRO A 348 -24.349 6.911 32.898 1.00 0.00 H +ATOM 3336 HG3 PRO A 348 -25.877 7.643 32.258 1.00 0.00 H +ATOM 3337 HD2 PRO A 348 -23.396 8.106 31.226 1.00 0.00 H +ATOM 3338 HD3 PRO A 348 -24.771 9.325 31.196 1.00 0.00 H +ATOM 3339 N PHE A 349 -21.936 8.020 34.513 1.00 15.43 N +ATOM 3340 CA PHE A 349 -20.886 7.332 35.276 1.00 17.76 C +ATOM 3341 C PHE A 349 -19.611 7.306 34.462 1.00 17.81 C +ATOM 3342 O PHE A 349 -19.594 6.861 33.326 1.00 16.44 O +ATOM 3343 CB PHE A 349 -21.324 5.889 35.602 1.00 19.87 C +ATOM 3344 CG PHE A 349 -22.664 5.805 36.286 1.00 16.13 C +ATOM 3345 CD1 PHE A 349 -22.818 6.234 37.598 1.00 20.64 C +ATOM 3346 CD2 PHE A 349 -23.774 5.342 35.598 1.00 19.30 C +ATOM 3347 CE1 PHE A 349 -24.049 6.184 38.219 1.00 23.05 C +ATOM 3348 CE2 PHE A 349 -25.003 5.294 36.205 1.00 18.20 C +ATOM 3349 CZ PHE A 349 -25.145 5.716 37.530 1.00 17.64 C +ATOM 3350 H PHE A 349 -22.000 7.781 33.534 1.00 0.00 H +ATOM 3351 HA PHE A 349 -20.707 7.871 36.206 1.00 0.00 H +ATOM 3352 HB2 PHE A 349 -21.349 5.303 34.684 1.00 0.00 H +ATOM 3353 HB3 PHE A 349 -20.568 5.414 36.228 1.00 0.00 H +ATOM 3354 HD1 PHE A 349 -21.968 6.613 38.146 1.00 0.00 H +ATOM 3355 HD2 PHE A 349 -23.676 5.014 34.574 1.00 0.00 H +ATOM 3356 HE1 PHE A 349 -24.151 6.512 39.243 1.00 0.00 H +ATOM 3357 HE2 PHE A 349 -25.861 4.930 35.659 1.00 0.00 H +ATOM 3358 HZ PHE A 349 -26.110 5.676 38.013 1.00 0.00 H +ATOM 3359 N TYR A 350 -18.511 7.792 35.022 1.00 19.50 N +ATOM 3360 CA TYR A 350 -17.261 7.724 34.277 1.00 23.04 C +ATOM 3361 C TYR A 350 -16.020 7.566 35.141 1.00 25.57 C +ATOM 3362 O TYR A 350 -15.873 8.222 36.161 1.00 25.44 O +ATOM 3363 CB TYR A 350 -17.075 8.932 33.342 1.00 23.99 C +ATOM 3364 CG TYR A 350 -15.826 8.776 32.499 1.00 23.83 C +ATOM 3365 CD1 TYR A 350 -15.788 7.856 31.451 1.00 26.13 C +ATOM 3366 CD2 TYR A 350 -14.667 9.490 32.792 1.00 26.68 C +ATOM 3367 CE1 TYR A 350 -14.641 7.678 30.698 1.00 29.40 C +ATOM 3368 CE2 TYR A 350 -13.514 9.322 32.043 1.00 29.82 C +ATOM 3369 CZ TYR A 350 -13.504 8.414 30.998 1.00 32.00 C +ATOM 3370 OH TYR A 350 -12.360 8.232 30.252 1.00 38.32 O +ATOM 3371 H TYR A 350 -18.552 8.198 35.946 1.00 0.00 H +ATOM 3372 HA TYR A 350 -17.319 6.839 33.643 1.00 0.00 H +ATOM 3373 HB2 TYR A 350 -17.944 9.023 32.690 1.00 0.00 H +ATOM 3374 HB3 TYR A 350 -17.000 9.843 33.936 1.00 0.00 H +ATOM 3375 HD1 TYR A 350 -16.663 7.269 31.216 1.00 0.00 H +ATOM 3376 HD2 TYR A 350 -14.657 10.189 33.615 1.00 0.00 H +ATOM 3377 HE1 TYR A 350 -14.635 6.970 29.883 1.00 0.00 H +ATOM 3378 HE2 TYR A 350 -12.630 9.898 32.276 1.00 0.00 H +ATOM 3379 HH TYR A 350 -11.667 8.809 30.581 1.00 0.00 H +ATOM 3380 N ASN A 351 -15.155 6.662 34.685 1.00 25.44 N +ATOM 3381 CA ASN A 351 -13.770 6.575 35.108 1.00 28.19 C +ATOM 3382 C ASN A 351 -12.965 5.950 33.977 1.00 29.06 C +ATOM 3383 O ASN A 351 -13.444 5.036 33.318 1.00 27.75 O +ATOM 3384 CB ASN A 351 -13.630 5.753 36.387 1.00 27.21 C +ATOM 3385 CG ASN A 351 -12.317 6.014 37.098 1.00 31.40 C +ATOM 3386 ND2 ASN A 351 -12.389 6.765 38.186 1.00 33.25 N +ATOM 3387 OD1 ASN A 351 -11.253 5.542 36.679 1.00 29.71 O +ATOM 3388 H ASN A 351 -15.451 5.980 34.001 1.00 0.00 H +ATOM 3389 HA ASN A 351 -13.394 7.581 35.293 1.00 0.00 H +ATOM 3390 HB2 ASN A 351 -14.458 5.983 37.058 1.00 0.00 H +ATOM 3391 HB3 ASN A 351 -13.707 4.693 36.147 1.00 0.00 H +ATOM 3392 HD21 ASN A 351 -13.281 7.124 38.493 1.00 0.00 H +ATOM 3393 HD22 ASN A 351 -11.552 6.978 38.709 1.00 0.00 H +ATOM 3394 N GLN A 352 -11.757 6.467 33.754 1.00 30.16 N +ATOM 3395 CA GLN A 352 -10.862 5.950 32.719 0.50 31.68 C +ATOM 3396 C GLN A 352 -10.450 4.501 33.016 1.00 31.35 C +ATOM 3397 O GLN A 352 -10.084 3.753 32.110 1.00 32.20 O +ATOM 3398 CB GLN A 352 -9.621 6.840 32.597 0.50 33.39 C +ATOM 3399 CG GLN A 352 -9.919 8.282 32.174 0.50 36.11 C +ATOM 3400 CD GLN A 352 -8.792 9.253 32.498 0.50 41.08 C +ATOM 3401 NE2 GLN A 352 -7.556 8.754 32.502 0.50 44.61 N +ATOM 3402 OE1 GLN A 352 -9.033 10.439 32.739 0.50 41.19 O +ATOM 3403 H GLN A 352 -11.430 7.244 34.310 1.00 0.00 H +ATOM 3404 HA GLN A 352 -11.392 5.968 31.767 0.50 0.00 H +ATOM 3405 HB2 GLN A 352 -9.086 6.845 33.546 0.50 0.00 H +ATOM 3406 HB3 GLN A 352 -8.924 6.393 31.889 0.50 0.00 H +ATOM 3407 HG2 GLN A 352 -10.124 8.310 31.104 0.50 0.00 H +ATOM 3408 HG3 GLN A 352 -10.836 8.618 32.657 0.50 0.00 H +ATOM 3409 HE21 GLN A 352 -7.405 7.777 32.297 0.50 0.00 H +ATOM 3410 HE22 GLN A 352 -6.770 9.353 32.710 0.50 0.00 H +ATOM 3411 N ASP A 353 -10.520 4.111 34.285 1.00 29.87 N +ATOM 3412 CA ASP A 353 -10.263 2.728 34.690 1.00 32.04 C +ATOM 3413 C ASP A 353 -11.563 1.914 34.717 1.00 29.35 C +ATOM 3414 O ASP A 353 -12.478 2.209 35.488 1.00 27.50 O +ATOM 3415 CB ASP A 353 -9.596 2.709 36.068 1.00 32.16 C +ATOM 3416 CG ASP A 353 -9.222 1.304 36.535 1.00 37.08 C +ATOM 3417 OD1 ASP A 353 -9.185 0.363 35.714 1.00 40.99 O +ATOM 3418 OD2 ASP A 353 -8.948 1.149 37.745 1.00 53.49 O1- +ATOM 3419 H ASP A 353 -10.757 4.778 35.006 1.00 0.00 H +ATOM 3420 HA ASP A 353 -9.584 2.275 33.968 1.00 0.00 H +ATOM 3421 HB2 ASP A 353 -8.703 3.333 36.046 1.00 0.00 H +ATOM 3422 HB3 ASP A 353 -10.262 3.168 36.799 1.00 0.00 H +ATOM 3423 N HID A 354 -11.643 0.882 33.879 1.00 30.74 N +ATOM 3424 CA HID A 354 -12.874 0.085 33.761 1.00 29.11 C +ATOM 3425 C HID A 354 -13.311 -0.553 35.065 1.00 30.57 C +ATOM 3426 O HID A 354 -14.504 -0.692 35.303 1.00 29.95 O +ATOM 3427 CB HID A 354 -12.749 -0.987 32.682 1.00 31.51 C +ATOM 3428 CG HID A 354 -12.777 -0.445 31.291 1.00 28.75 C +ATOM 3429 CD2 HID A 354 -13.044 0.796 30.824 1.00 24.50 C +ATOM 3430 ND1 HID A 354 -12.491 -1.215 30.188 1.00 29.51 N +ATOM 3431 CE1 HID A 354 -12.583 -0.473 29.100 1.00 28.66 C +ATOM 3432 NE2 HID A 354 -12.924 0.751 29.460 1.00 27.78 N +ATOM 3433 H HID A 354 -10.848 0.632 33.308 1.00 0.00 H +ATOM 3434 HA HID A 354 -13.669 0.763 33.451 1.00 0.00 H +ATOM 3435 HB2 HID A 354 -11.826 -1.547 32.834 1.00 0.00 H +ATOM 3436 HB3 HID A 354 -13.550 -1.716 32.802 1.00 0.00 H +ATOM 3437 HD1 HID A 354 -12.257 -2.191 30.300 1.00 0.00 H +ATOM 3438 HD2 HID A 354 -13.294 1.590 31.512 1.00 0.00 H +ATOM 3439 HE1 HID A 354 -12.388 -0.909 28.131 1.00 0.00 H +ATOM 3440 N GLU A 355 -12.348 -0.954 35.891 1.00 31.79 N +ATOM 3441 CA GLU A 355 -12.625 -1.445 37.241 1.00 32.22 C +ATOM 3442 C GLU A 355 -13.498 -0.471 38.031 1.00 29.51 C +ATOM 3443 O GLU A 355 -14.537 -0.847 38.571 1.00 31.74 O +ATOM 3444 CB GLU A 355 -11.306 -1.687 37.999 1.00 32.90 C +ATOM 3445 CG GLU A 355 -11.482 -2.216 39.424 0.50 34.00 C +ATOM 3446 CD GLU A 355 -10.173 -2.358 40.191 0.50 33.42 C +ATOM 3447 OE1 GLU A 355 -9.083 -2.235 39.587 0.50 34.65 O +ATOM 3448 OE2 GLU A 355 -10.243 -2.596 41.413 0.50 38.37 O1- +ATOM 3449 H GLU A 355 -11.383 -0.926 35.593 1.00 0.00 H +ATOM 3450 HA GLU A 355 -13.155 -2.394 37.160 1.00 0.00 H +ATOM 3451 HB2 GLU A 355 -10.685 -2.380 37.431 1.00 0.00 H +ATOM 3452 HB3 GLU A 355 -10.730 -0.762 38.026 1.00 0.00 H +ATOM 3453 HG2 GLU A 355 -12.154 -1.557 39.974 1.00 0.00 H +ATOM 3454 HG3 GLU A 355 -11.989 -3.181 39.392 1.00 0.00 H +ATOM 3455 N LYS A 356 -13.057 0.777 38.098 1.00 28.39 N +ATOM 3456 CA LYS A 356 -13.773 1.823 38.822 1.00 26.41 C +ATOM 3457 C LYS A 356 -15.085 2.208 38.131 1.00 21.32 C +ATOM 3458 O LYS A 356 -16.089 2.452 38.789 1.00 23.75 O +ATOM 3459 CB LYS A 356 -12.883 3.065 38.964 1.00 27.93 C +ATOM 3460 CG LYS A 356 -11.655 2.830 39.856 1.00 34.25 C +ATOM 3461 CD LYS A 356 -10.860 4.110 40.018 1.00 37.28 C +ATOM 3462 CE LYS A 356 -9.752 3.961 41.047 1.00 43.78 C +ATOM 3463 NZ LYS A 356 -8.589 4.846 40.726 1.00 47.56 N1+ +ATOM 3464 H LYS A 356 -12.195 1.034 37.638 1.00 0.00 H +ATOM 3465 HA LYS A 356 -14.006 1.452 39.820 1.00 0.00 H +ATOM 3466 HB2 LYS A 356 -12.556 3.391 37.977 1.00 0.00 H +ATOM 3467 HB3 LYS A 356 -13.472 3.888 39.369 1.00 0.00 H +ATOM 3468 HG2 LYS A 356 -11.980 2.478 40.835 1.00 0.00 H +ATOM 3469 HG3 LYS A 356 -11.022 2.064 39.408 1.00 0.00 H +ATOM 3470 HD2 LYS A 356 -10.428 4.392 39.058 1.00 0.00 H +ATOM 3471 HD3 LYS A 356 -11.529 4.916 40.319 1.00 0.00 H +ATOM 3472 HE2 LYS A 356 -10.138 4.213 42.035 1.00 0.00 H +ATOM 3473 HE3 LYS A 356 -9.421 2.923 41.076 1.00 0.00 H +ATOM 3474 HZ1 LYS A 356 -7.870 4.725 41.425 1.00 0.00 H +ATOM 3475 HZ2 LYS A 356 -8.219 4.601 39.819 1.00 0.00 H +ATOM 3476 HZ3 LYS A 356 -8.891 5.810 40.717 1.00 0.00 H +ATOM 3477 N LEU A 357 -15.054 2.256 36.804 1.00 22.91 N +ATOM 3478 CA LEU A 357 -16.252 2.562 36.014 1.00 20.80 C +ATOM 3479 C LEU A 357 -17.390 1.588 36.313 1.00 18.54 C +ATOM 3480 O LEU A 357 -18.530 1.984 36.559 1.00 18.75 O +ATOM 3481 CB LEU A 357 -15.915 2.502 34.523 1.00 19.44 C +ATOM 3482 CG LEU A 357 -17.074 2.605 33.515 1.00 16.22 C +ATOM 3483 CD1 LEU A 357 -17.700 3.940 33.585 1.00 17.61 C +ATOM 3484 CD2 LEU A 357 -16.558 2.340 32.127 1.00 17.07 C +ATOM 3485 H LEU A 357 -14.190 2.079 36.312 1.00 0.00 H +ATOM 3486 HA LEU A 357 -16.583 3.572 36.257 1.00 0.00 H +ATOM 3487 HB2 LEU A 357 -15.173 3.267 34.294 1.00 0.00 H +ATOM 3488 HB3 LEU A 357 -15.346 1.594 34.322 1.00 0.00 H +ATOM 3489 HG LEU A 357 -17.823 1.852 33.762 1.00 0.00 H +ATOM 3490 HD11 LEU A 357 -18.518 3.997 32.866 1.00 0.00 H +ATOM 3491 HD12 LEU A 357 -18.088 4.108 34.590 1.00 0.00 H +ATOM 3492 HD13 LEU A 357 -16.957 4.703 33.351 1.00 0.00 H +ATOM 3493 HD21 LEU A 357 -17.379 2.413 31.414 1.00 0.00 H +ATOM 3494 HD22 LEU A 357 -15.793 3.075 31.877 1.00 0.00 H +ATOM 3495 HD23 LEU A 357 -16.128 1.340 32.084 1.00 0.00 H +ATOM 3496 N PHE A 358 -17.075 0.298 36.262 1.00 21.22 N +ATOM 3497 CA PHE A 358 -18.062 -0.746 36.485 1.00 19.42 C +ATOM 3498 C PHE A 358 -18.613 -0.688 37.909 1.00 19.86 C +ATOM 3499 O PHE A 358 -19.807 -0.900 38.129 1.00 20.51 O +ATOM 3500 CB PHE A 358 -17.462 -2.136 36.184 1.00 19.79 C +ATOM 3501 CG PHE A 358 -17.070 -2.363 34.737 1.00 19.92 C +ATOM 3502 CD1 PHE A 358 -17.598 -1.596 33.696 1.00 20.28 C +ATOM 3503 CD2 PHE A 358 -16.189 -3.393 34.417 1.00 22.95 C +ATOM 3504 CE1 PHE A 358 -17.230 -1.828 32.387 1.00 22.75 C +ATOM 3505 CE2 PHE A 358 -15.825 -3.636 33.110 1.00 24.51 C +ATOM 3506 CZ PHE A 358 -16.346 -2.853 32.088 1.00 27.49 C +ATOM 3507 H PHE A 358 -16.125 0.018 36.063 1.00 0.00 H +ATOM 3508 HA PHE A 358 -18.890 -0.580 35.796 1.00 0.00 H +ATOM 3509 HB2 PHE A 358 -16.594 -2.300 36.823 1.00 0.00 H +ATOM 3510 HB3 PHE A 358 -18.168 -2.908 36.492 1.00 0.00 H +ATOM 3511 HD1 PHE A 358 -18.305 -0.808 33.910 1.00 0.00 H +ATOM 3512 HD2 PHE A 358 -15.780 -4.016 35.199 1.00 0.00 H +ATOM 3513 HE1 PHE A 358 -17.631 -1.211 31.596 1.00 0.00 H +ATOM 3514 HE2 PHE A 358 -15.135 -4.435 32.881 1.00 0.00 H +ATOM 3515 HZ PHE A 358 -16.064 -3.041 31.063 1.00 0.00 H +ATOM 3516 N GLU A 359 -17.757 -0.372 38.882 1.00 22.07 N +ATOM 3517 CA GLU A 359 -18.224 -0.172 40.267 1.00 23.01 C +ATOM 3518 C GLU A 359 -19.244 0.949 40.372 1.00 22.57 C +ATOM 3519 O GLU A 359 -20.256 0.809 41.043 1.00 21.05 O +ATOM 3520 CB GLU A 359 -17.040 0.118 41.206 1.00 25.86 C +ATOM 3521 CG GLU A 359 -16.151 -1.093 41.466 0.50 28.74 C +ATOM 3522 CD GLU A 359 -14.937 -0.783 42.344 0.50 34.29 C +ATOM 3523 OE1 GLU A 359 -14.711 0.399 42.697 0.50 33.80 O +ATOM 3524 OE2 GLU A 359 -14.209 -1.740 42.678 0.50 33.80 O1- +ATOM 3525 H GLU A 359 -16.774 -0.266 38.675 1.00 0.00 H +ATOM 3526 HA GLU A 359 -18.700 -1.094 40.599 1.00 0.00 H +ATOM 3527 HB2 GLU A 359 -16.438 0.926 40.790 1.00 0.00 H +ATOM 3528 HB3 GLU A 359 -17.416 0.501 42.155 1.00 0.00 H +ATOM 3529 HG2 GLU A 359 -16.742 -1.882 41.931 1.00 0.00 H +ATOM 3530 HG3 GLU A 359 -15.814 -1.505 40.515 1.00 0.00 H +ATOM 3531 N LEU A 360 -18.982 2.066 39.691 1.00 21.58 N +ATOM 3532 CA LEU A 360 -19.911 3.201 39.681 1.00 20.39 C +ATOM 3533 C LEU A 360 -21.284 2.819 39.115 1.00 16.30 C +ATOM 3534 O LEU A 360 -22.326 3.100 39.705 1.00 20.29 O +ATOM 3535 CB LEU A 360 -19.303 4.376 38.885 1.00 21.83 C +ATOM 3536 CG LEU A 360 -18.030 5.067 39.415 1.00 24.10 C +ATOM 3537 CD1 LEU A 360 -17.510 6.102 38.415 1.00 23.82 C +ATOM 3538 CD2 LEU A 360 -18.317 5.717 40.755 1.00 27.20 C +ATOM 3539 H LEU A 360 -18.124 2.146 39.163 1.00 0.00 H +ATOM 3540 HA LEU A 360 -20.051 3.530 40.711 1.00 0.00 H +ATOM 3541 HB2 LEU A 360 -19.132 4.058 37.857 1.00 0.00 H +ATOM 3542 HB3 LEU A 360 -20.073 5.129 38.720 1.00 0.00 H +ATOM 3543 HG LEU A 360 -17.260 4.309 39.558 1.00 0.00 H +ATOM 3544 HD11 LEU A 360 -16.612 6.574 38.814 1.00 0.00 H +ATOM 3545 HD12 LEU A 360 -17.273 5.610 37.472 1.00 0.00 H +ATOM 3546 HD13 LEU A 360 -18.274 6.861 38.246 1.00 0.00 H +ATOM 3547 HD21 LEU A 360 -17.414 6.203 41.124 1.00 0.00 H +ATOM 3548 HD22 LEU A 360 -19.107 6.459 40.638 1.00 0.00 H +ATOM 3549 HD23 LEU A 360 -18.637 4.956 41.467 1.00 0.00 H +ATOM 3550 N ILE A 361 -21.270 2.191 37.935 1.00 19.01 N +ATOM 3551 CA ILE A 361 -22.505 1.740 37.279 1.00 16.94 C +ATOM 3552 C ILE A 361 -23.330 0.838 38.197 1.00 15.65 C +ATOM 3553 O ILE A 361 -24.559 0.958 38.267 1.00 16.52 O +ATOM 3554 CB ILE A 361 -22.196 1.016 35.945 1.00 17.43 C +ATOM 3555 CG1 ILE A 361 -21.637 2.019 34.917 1.00 15.40 C +ATOM 3556 CG2 ILE A 361 -23.433 0.321 35.411 1.00 14.56 C +ATOM 3557 CD1 ILE A 361 -20.917 1.370 33.734 1.00 13.74 C +ATOM 3558 H ILE A 361 -20.392 2.014 37.468 1.00 0.00 H +ATOM 3559 HA ILE A 361 -23.104 2.622 37.050 1.00 0.00 H +ATOM 3560 HB ILE A 361 -21.434 0.260 36.135 1.00 0.00 H +ATOM 3561 HG12 ILE A 361 -22.448 2.646 34.546 1.00 0.00 H +ATOM 3562 HG13 ILE A 361 -20.959 2.709 35.418 1.00 0.00 H +ATOM 3563 HG21 ILE A 361 -23.192 -0.181 34.474 1.00 0.00 H +ATOM 3564 HG22 ILE A 361 -23.780 -0.414 36.137 1.00 0.00 H +ATOM 3565 HG23 ILE A 361 -24.218 1.057 35.237 1.00 0.00 H +ATOM 3566 HD11 ILE A 361 -20.555 2.145 33.059 1.00 0.00 H +ATOM 3567 HD12 ILE A 361 -20.074 0.783 34.099 1.00 0.00 H +ATOM 3568 HD13 ILE A 361 -21.609 0.718 33.200 1.00 0.00 H +ATOM 3569 N LEU A 362 -22.648 -0.068 38.889 1.00 18.35 N +ATOM 3570 CA LEU A 362 -23.304 -1.016 39.790 1.00 19.56 C +ATOM 3571 C LEU A 362 -23.782 -0.422 41.111 1.00 21.33 C +ATOM 3572 O LEU A 362 -24.850 -0.787 41.607 1.00 23.89 O +ATOM 3573 CB LEU A 362 -22.369 -2.206 40.049 1.00 21.36 C +ATOM 3574 CG LEU A 362 -22.241 -3.140 38.848 1.00 22.16 C +ATOM 3575 CD1 LEU A 362 -21.075 -4.081 39.008 1.00 25.71 C +ATOM 3576 CD2 LEU A 362 -23.547 -3.900 38.616 1.00 20.88 C +ATOM 3577 H LEU A 362 -21.643 -0.118 38.802 1.00 0.00 H +ATOM 3578 HA LEU A 362 -24.182 -1.401 39.271 1.00 0.00 H +ATOM 3579 HB2 LEU A 362 -21.382 -1.837 40.327 1.00 0.00 H +ATOM 3580 HB3 LEU A 362 -22.730 -2.770 40.909 1.00 0.00 H +ATOM 3581 HG LEU A 362 -22.053 -2.525 37.968 1.00 0.00 H +ATOM 3582 HD11 LEU A 362 -21.011 -4.733 38.137 1.00 0.00 H +ATOM 3583 HD12 LEU A 362 -20.153 -3.506 39.100 1.00 0.00 H +ATOM 3584 HD13 LEU A 362 -21.216 -4.686 39.904 1.00 0.00 H +ATOM 3585 HD21 LEU A 362 -23.436 -4.560 37.756 1.00 0.00 H +ATOM 3586 HD22 LEU A 362 -23.785 -4.492 39.500 1.00 0.00 H +ATOM 3587 HD23 LEU A 362 -24.352 -3.190 38.427 1.00 0.00 H +ATOM 3588 N MET A 363 -23.010 0.518 41.650 1.00 21.32 N +ATOM 3589 CA MET A 363 -23.151 0.922 43.059 1.00 26.60 C +ATOM 3590 C MET A 363 -23.540 2.379 43.308 1.00 27.60 C +ATOM 3591 O MET A 363 -24.175 2.688 44.323 1.00 31.44 O +ATOM 3592 CB MET A 363 -21.856 0.618 43.804 1.00 28.71 C +ATOM 3593 CG MET A 363 -21.455 -0.855 43.802 1.00 36.76 C +ATOM 3594 SD MET A 363 -22.419 -1.810 44.980 1.00 50.48 S +ATOM 3595 CE MET A 363 -23.824 -2.385 44.028 1.00 50.44 C +ATOM 3596 H MET A 363 -22.305 0.975 41.090 1.00 0.00 H +ATOM 3597 HA MET A 363 -23.931 0.299 43.498 1.00 0.00 H +ATOM 3598 HB2 MET A 363 -21.047 1.213 43.380 1.00 0.00 H +ATOM 3599 HB3 MET A 363 -21.941 0.968 44.833 1.00 0.00 H +ATOM 3600 HG2 MET A 363 -21.593 -1.267 42.802 1.00 0.00 H +ATOM 3601 HG3 MET A 363 -20.396 -0.943 44.044 1.00 0.00 H +ATOM 3602 HE1 MET A 363 -24.476 -2.982 44.666 1.00 0.00 H +ATOM 3603 HE2 MET A 363 -24.378 -1.529 43.644 1.00 0.00 H +ATOM 3604 HE3 MET A 363 -23.474 -2.995 43.195 1.00 0.00 H +ATOM 3605 N GLU A 364 -23.192 3.276 42.393 1.00 24.99 N +ATOM 3606 CA GLU A 364 -23.388 4.708 42.640 1.00 25.70 C +ATOM 3607 C GLU A 364 -24.776 5.205 42.249 1.00 23.59 C +ATOM 3608 O GLU A 364 -25.246 4.989 41.126 1.00 22.69 O +ATOM 3609 CB GLU A 364 -22.300 5.502 41.922 1.00 27.71 C +ATOM 3610 CG GLU A 364 -22.175 6.960 42.361 1.00 35.00 C +ATOM 3611 CD GLU A 364 -21.724 7.119 43.807 1.00 44.08 C +ATOM 3612 OE1 GLU A 364 -21.189 6.147 44.387 1.00 45.42 O +ATOM 3613 OE2 GLU A 364 -21.909 8.224 44.363 1.00 51.04 O1- +ATOM 3614 H GLU A 364 -22.788 2.974 41.518 1.00 0.00 H +ATOM 3615 HA GLU A 364 -23.267 4.877 43.710 1.00 0.00 H +ATOM 3616 HB2 GLU A 364 -21.341 5.002 42.055 1.00 0.00 H +ATOM 3617 HB3 GLU A 364 -22.475 5.463 40.847 1.00 0.00 H +ATOM 3618 HG2 GLU A 364 -21.475 7.477 41.705 1.00 0.00 H +ATOM 3619 HG3 GLU A 364 -23.132 7.463 42.223 1.00 0.00 H +ATOM 3620 N GLU A 365 -25.437 5.897 43.169 1.00 21.66 N +ATOM 3621 CA GLU A 365 -26.722 6.518 42.865 1.00 22.35 C +ATOM 3622 C GLU A 365 -26.567 7.630 41.818 1.00 22.02 C +ATOM 3623 O GLU A 365 -25.611 8.417 41.863 1.00 23.46 O +ATOM 3624 CB GLU A 365 -27.360 7.080 44.138 1.00 24.73 C +ATOM 3625 CG GLU A 365 -28.800 7.576 43.986 1.00 29.90 C +ATOM 3626 CD GLU A 365 -29.253 8.441 45.169 1.00 44.06 C +ATOM 3627 OE1 GLU A 365 -28.658 8.325 46.264 1.00 52.82 O +ATOM 3628 OE2 GLU A 365 -30.197 9.247 45.009 1.00 45.12 O1- +ATOM 3629 H GLU A 365 -25.052 6.000 44.097 1.00 0.00 H +ATOM 3630 HA GLU A 365 -27.384 5.754 42.458 1.00 0.00 H +ATOM 3631 HB2 GLU A 365 -27.320 6.326 44.924 1.00 0.00 H +ATOM 3632 HB3 GLU A 365 -26.740 7.888 44.525 1.00 0.00 H +ATOM 3633 HG2 GLU A 365 -28.890 8.149 43.063 1.00 0.00 H +ATOM 3634 HG3 GLU A 365 -29.469 6.721 43.885 1.00 0.00 H +ATOM 3635 N ILE A 366 -27.505 7.681 40.880 1.00 24.15 N +ATOM 3636 CA ILE A 366 -27.490 8.695 39.823 1.00 23.58 C +ATOM 3637 C ILE A 366 -27.607 10.104 40.438 1.00 23.05 C +ATOM 3638 O ILE A 366 -28.301 10.288 41.437 1.00 22.16 O +ATOM 3639 CB ILE A 366 -28.620 8.439 38.763 1.00 21.88 C +ATOM 3640 CG1 ILE A 366 -28.464 9.314 37.510 1.00 26.53 C +ATOM 3641 CG2 ILE A 366 -30.012 8.639 39.334 1.00 24.61 C +ATOM 3642 CD1 ILE A 366 -27.288 8.944 36.686 1.00 26.22 C +ATOM 3643 H ILE A 366 -28.258 7.008 40.882 1.00 0.00 H +ATOM 3644 HA ILE A 366 -26.530 8.631 39.311 1.00 0.00 H +ATOM 3645 HB ILE A 366 -28.542 7.399 38.447 1.00 0.00 H +ATOM 3646 HG12 ILE A 366 -29.367 9.243 36.904 1.00 0.00 H +ATOM 3647 HG13 ILE A 366 -28.384 10.360 37.806 1.00 0.00 H +ATOM 3648 HG21 ILE A 366 -30.754 8.449 38.559 1.00 0.00 H +ATOM 3649 HG22 ILE A 366 -30.168 7.948 40.163 1.00 0.00 H +ATOM 3650 HG23 ILE A 366 -30.115 9.664 39.692 1.00 0.00 H +ATOM 3651 HD11 ILE A 366 -27.233 9.598 35.816 1.00 0.00 H +ATOM 3652 HD12 ILE A 366 -26.380 9.052 37.279 1.00 0.00 H +ATOM 3653 HD13 ILE A 366 -27.386 7.910 36.356 1.00 0.00 H +ATOM 3654 N ARG A 367 -26.888 11.059 39.856 1.00 22.48 N +ATOM 3655 CA ARG A 367 -27.042 12.489 40.162 1.00 22.15 C +ATOM 3656 C ARG A 367 -27.251 13.284 38.873 1.00 22.11 C +ATOM 3657 O ARG A 367 -26.868 12.834 37.771 1.00 18.60 O +ATOM 3658 CB ARG A 367 -25.813 13.014 40.897 1.00 22.96 C +ATOM 3659 CG ARG A 367 -25.645 12.491 42.319 1.00 25.82 C +ATOM 3660 CD ARG A 367 -24.300 12.901 42.896 1.00 23.21 C +ATOM 3661 NE ARG A 367 -23.211 12.232 42.221 1.00 24.86 N +ATOM 3662 CZ ARG A 367 -21.920 12.500 42.378 1.00 29.56 C +ATOM 3663 NH1 ARG A 367 -21.527 13.452 43.213 1.00 31.33 N1+ +ATOM 3664 NH2 ARG A 367 -21.020 11.804 41.692 1.00 33.99 N1+ +ATOM 3665 H ARG A 367 -26.193 10.817 39.164 1.00 0.00 H +ATOM 3666 HA ARG A 367 -27.916 12.619 40.801 1.00 0.00 H +ATOM 3667 HB2 ARG A 367 -24.919 12.780 40.319 1.00 0.00 H +ATOM 3668 HB3 ARG A 367 -25.841 14.103 40.914 1.00 0.00 H +ATOM 3669 HG2 ARG A 367 -26.444 12.884 42.947 1.00 0.00 H +ATOM 3670 HG3 ARG A 367 -25.723 11.404 42.317 1.00 0.00 H +ATOM 3671 HD2 ARG A 367 -24.178 13.980 42.800 1.00 0.00 H +ATOM 3672 HD3 ARG A 367 -24.272 12.659 43.958 1.00 0.00 H +ATOM 3673 HE ARG A 367 -23.502 11.504 41.584 1.00 0.00 H +ATOM 3674 HH11 ARG A 367 -22.212 13.980 43.735 1.00 0.00 H +ATOM 3675 HH12 ARG A 367 -20.543 13.650 43.327 1.00 0.00 H +ATOM 3676 HH21 ARG A 367 -21.320 11.078 41.057 1.00 0.00 H +ATOM 3677 HH22 ARG A 367 -20.036 12.001 41.805 1.00 0.00 H +ATOM 3678 N PHE A 368 -27.852 14.463 39.014 1.00 18.66 N +ATOM 3679 CA PHE A 368 -28.159 15.342 37.898 1.00 18.19 C +ATOM 3680 C PHE A 368 -27.719 16.776 38.194 1.00 20.17 C +ATOM 3681 O PHE A 368 -27.791 17.219 39.357 1.00 18.88 O +ATOM 3682 CB PHE A 368 -29.661 15.363 37.641 1.00 19.81 C +ATOM 3683 CG PHE A 368 -30.262 14.013 37.483 1.00 18.45 C +ATOM 3684 CD1 PHE A 368 -30.220 13.373 36.255 1.00 20.58 C +ATOM 3685 CD2 PHE A 368 -30.875 13.381 38.553 1.00 25.02 C +ATOM 3686 CE1 PHE A 368 -30.777 12.114 36.099 1.00 20.73 C +ATOM 3687 CE2 PHE A 368 -31.431 12.124 38.400 1.00 27.04 C +ATOM 3688 CZ PHE A 368 -31.381 11.495 37.166 1.00 23.04 C +ATOM 3689 H PHE A 368 -28.119 14.787 39.933 1.00 0.00 H +ATOM 3690 HA PHE A 368 -27.646 14.984 37.006 1.00 0.00 H +ATOM 3691 HB2 PHE A 368 -30.160 15.888 38.456 1.00 0.00 H +ATOM 3692 HB3 PHE A 368 -29.867 15.957 36.751 1.00 0.00 H +ATOM 3693 HD1 PHE A 368 -29.751 13.855 35.410 1.00 0.00 H +ATOM 3694 HD2 PHE A 368 -30.921 13.870 39.515 1.00 0.00 H +ATOM 3695 HE1 PHE A 368 -30.736 11.620 35.139 1.00 0.00 H +ATOM 3696 HE2 PHE A 368 -31.902 11.636 39.240 1.00 0.00 H +ATOM 3697 HZ PHE A 368 -31.819 10.515 37.045 1.00 0.00 H +ATOM 3698 N PRO A 369 -27.304 17.516 37.147 1.00 18.70 N +ATOM 3699 CA PRO A 369 -27.099 18.959 37.320 1.00 17.32 C +ATOM 3700 C PRO A 369 -28.403 19.611 37.755 1.00 19.84 C +ATOM 3701 O PRO A 369 -29.479 19.189 37.336 1.00 20.02 O +ATOM 3702 CB PRO A 369 -26.652 19.452 35.932 1.00 19.91 C +ATOM 3703 CG PRO A 369 -26.800 18.313 34.999 1.00 19.69 C +ATOM 3704 CD PRO A 369 -27.039 17.065 35.766 1.00 16.98 C +ATOM 3705 HA PRO A 369 -26.318 19.145 38.057 1.00 0.00 H +ATOM 3706 HB2 PRO A 369 -27.298 20.269 35.612 1.00 0.00 H +ATOM 3707 HB3 PRO A 369 -25.605 19.753 35.974 1.00 0.00 H +ATOM 3708 HG2 PRO A 369 -27.643 18.497 34.333 1.00 0.00 H +ATOM 3709 HG3 PRO A 369 -25.890 18.207 34.408 1.00 0.00 H +ATOM 3710 HD2 PRO A 369 -27.924 16.564 35.374 1.00 0.00 H +ATOM 3711 HD3 PRO A 369 -26.136 16.454 35.752 1.00 0.00 H +ATOM 3712 N ARG A 370 -28.310 20.620 38.616 1.00 20.25 N +ATOM 3713 CA ARG A 370 -29.492 21.175 39.265 1.00 20.02 C +ATOM 3714 C ARG A 370 -30.333 22.112 38.411 1.00 22.02 C +ATOM 3715 O ARG A 370 -31.331 22.628 38.893 1.00 24.18 O +ATOM 3716 CB ARG A 370 -29.087 21.845 40.579 1.00 22.91 C +ATOM 3717 CG ARG A 370 -28.469 20.870 41.557 1.00 24.25 C +ATOM 3718 CD ARG A 370 -29.504 19.897 42.046 1.00 30.01 C +ATOM 3719 NE ARG A 370 -28.959 18.832 42.875 1.00 26.39 N +ATOM 3720 CZ ARG A 370 -29.559 18.349 43.959 1.00 22.58 C +ATOM 3721 NH1 ARG A 370 -30.716 18.854 44.366 1.00 26.89 N1+ +ATOM 3722 NH2 ARG A 370 -28.998 17.376 44.650 1.00 24.96 N1+ +ATOM 3723 H ARG A 370 -27.407 21.018 38.832 1.00 0.00 H +ATOM 3724 HA ARG A 370 -30.131 20.332 39.527 1.00 0.00 H +ATOM 3725 HB2 ARG A 370 -28.380 22.649 40.373 1.00 0.00 H +ATOM 3726 HB3 ARG A 370 -29.962 22.309 41.034 1.00 0.00 H +ATOM 3727 HG2 ARG A 370 -27.662 20.326 41.066 1.00 0.00 H +ATOM 3728 HG3 ARG A 370 -28.057 21.418 42.404 1.00 0.00 H +ATOM 3729 HD2 ARG A 370 -30.270 20.434 42.605 1.00 0.00 H +ATOM 3730 HD3 ARG A 370 -30.023 19.461 41.192 1.00 0.00 H +ATOM 3731 HE ARG A 370 -28.068 18.458 42.582 1.00 0.00 H +ATOM 3732 HH11 ARG A 370 -31.146 19.610 43.852 1.00 0.00 H +ATOM 3733 HH12 ARG A 370 -31.167 18.483 45.190 1.00 0.00 H +ATOM 3734 HH21 ARG A 370 -28.110 16.995 44.356 1.00 0.00 H +ATOM 3735 HH22 ARG A 370 -29.457 17.012 45.473 1.00 0.00 H +ATOM 3736 N THR A 371 -29.946 22.297 37.147 1.00 21.48 N +ATOM 3737 CA THR A 371 -30.736 23.039 36.156 1.00 23.32 C +ATOM 3738 C THR A 371 -31.720 22.142 35.401 1.00 22.66 C +ATOM 3739 O THR A 371 -32.618 22.639 34.724 1.00 25.01 O +ATOM 3740 CB THR A 371 -29.815 23.703 35.143 1.00 21.64 C +ATOM 3741 CG2 THR A 371 -29.168 24.930 35.761 1.00 28.96 C +ATOM 3742 OG1 THR A 371 -28.808 22.775 34.742 1.00 24.02 O +ATOM 3743 H THR A 371 -29.066 21.917 36.827 1.00 0.00 H +ATOM 3744 HA THR A 371 -31.300 23.815 36.673 1.00 0.00 H +ATOM 3745 HB THR A 371 -30.396 24.003 34.271 1.00 0.00 H +ATOM 3746 HG1 THR A 371 -28.225 23.191 34.103 1.00 0.00 H +ATOM 3747 HG21 THR A 371 -28.510 25.401 35.031 1.00 0.00 H +ATOM 3748 HG22 THR A 371 -29.941 25.637 36.061 1.00 0.00 H +ATOM 3749 HG23 THR A 371 -28.588 24.634 36.635 1.00 0.00 H +ATOM 3750 N LEU A 372 -31.558 20.824 35.526 1.00 21.81 N +ATOM 3751 CA LEU A 372 -32.410 19.872 34.806 1.00 19.76 C +ATOM 3752 C LEU A 372 -33.843 19.936 35.307 1.00 21.35 C +ATOM 3753 O LEU A 372 -34.096 19.898 36.506 1.00 21.65 O +ATOM 3754 CB LEU A 372 -31.850 18.442 34.918 1.00 19.57 C +ATOM 3755 CG LEU A 372 -32.484 17.382 34.005 1.00 20.42 C +ATOM 3756 CD1 LEU A 372 -32.226 17.699 32.549 1.00 18.14 C +ATOM 3757 CD2 LEU A 372 -31.952 15.998 34.328 1.00 24.89 C +ATOM 3758 H LEU A 372 -30.834 20.459 36.128 1.00 0.00 H +ATOM 3759 HA LEU A 372 -32.410 20.151 33.752 1.00 0.00 H +ATOM 3760 HB2 LEU A 372 -30.773 18.464 34.749 1.00 0.00 H +ATOM 3761 HB3 LEU A 372 -31.918 18.110 35.954 1.00 0.00 H +ATOM 3762 HG LEU A 372 -33.561 17.384 34.172 1.00 0.00 H +ATOM 3763 HD11 LEU A 372 -32.685 16.934 31.923 1.00 0.00 H +ATOM 3764 HD12 LEU A 372 -32.655 18.671 32.307 1.00 0.00 H +ATOM 3765 HD13 LEU A 372 -31.152 17.721 32.366 1.00 0.00 H +ATOM 3766 HD21 LEU A 372 -32.417 15.266 33.667 1.00 0.00 H +ATOM 3767 HD22 LEU A 372 -30.872 15.981 34.185 1.00 0.00 H +ATOM 3768 HD23 LEU A 372 -32.185 15.751 35.364 1.00 0.00 H +ATOM 3769 N GLY A 373 -34.788 20.022 34.386 1.00 18.88 N +ATOM 3770 CA GLY A 373 -36.200 20.116 34.750 1.00 18.57 C +ATOM 3771 C GLY A 373 -36.741 18.839 35.369 1.00 21.66 C +ATOM 3772 O GLY A 373 -36.143 17.762 35.228 1.00 17.99 O +ATOM 3773 H GLY A 373 -34.540 20.024 33.407 1.00 0.00 H +ATOM 3774 HA2 GLY A 373 -36.340 20.943 35.446 1.00 0.00 H +ATOM 3775 HA3 GLY A 373 -36.786 20.366 33.866 1.00 0.00 H +ATOM 3776 N PRO A 374 -37.885 18.940 36.062 1.00 22.13 N +ATOM 3777 CA PRO A 374 -38.427 17.819 36.838 1.00 21.59 C +ATOM 3778 C PRO A 374 -38.842 16.605 36.008 1.00 18.75 C +ATOM 3779 O PRO A 374 -38.580 15.475 36.413 1.00 17.65 O +ATOM 3780 CB PRO A 374 -39.625 18.431 37.570 1.00 23.15 C +ATOM 3781 CG PRO A 374 -39.963 19.674 36.810 1.00 25.55 C +ATOM 3782 CD PRO A 374 -38.706 20.161 36.193 1.00 22.29 C +ATOM 3783 HA PRO A 374 -37.685 17.507 37.573 1.00 0.00 H +ATOM 3784 HB2 PRO A 374 -40.467 17.740 37.526 1.00 0.00 H +ATOM 3785 HB3 PRO A 374 -39.331 18.697 38.586 1.00 0.00 H +ATOM 3786 HG2 PRO A 374 -40.683 19.436 36.027 1.00 0.00 H +ATOM 3787 HG3 PRO A 374 -40.345 20.428 37.499 1.00 0.00 H +ATOM 3788 HD2 PRO A 374 -38.922 20.558 35.201 1.00 0.00 H +ATOM 3789 HD3 PRO A 374 -38.214 20.854 36.876 1.00 0.00 H +ATOM 3790 N GLU A 375 -39.461 16.833 34.853 1.00 20.40 N +ATOM 3791 CA GLU A 375 -39.884 15.719 33.984 1.00 21.12 C +ATOM 3792 C GLU A 375 -38.692 14.964 33.381 1.00 17.37 C +ATOM 3793 O GLU A 375 -38.706 13.741 33.313 1.00 15.40 O +ATOM 3794 CB GLU A 375 -40.835 16.197 32.896 1.00 20.93 C +ATOM 3795 CG GLU A 375 -42.091 16.898 33.434 1.00 25.41 C +ATOM 3796 CD GLU A 375 -41.882 18.396 33.756 1.00 40.82 C +ATOM 3797 OE1 GLU A 375 -40.777 18.957 33.505 1.00 37.41 O +ATOM 3798 OE2 GLU A 375 -42.834 19.019 34.281 1.00 46.00 O1- +ATOM 3799 H GLU A 375 -39.648 17.781 34.559 1.00 0.00 H +ATOM 3800 HA GLU A 375 -40.433 15.013 34.607 1.00 0.00 H +ATOM 3801 HB2 GLU A 375 -40.305 16.871 32.223 1.00 0.00 H +ATOM 3802 HB3 GLU A 375 -41.131 15.350 32.277 1.00 0.00 H +ATOM 3803 HG2 GLU A 375 -42.901 16.793 32.712 1.00 0.00 H +ATOM 3804 HG3 GLU A 375 -42.438 16.381 34.329 1.00 0.00 H +ATOM 3805 N ALA A 376 -37.653 15.702 32.983 1.00 15.97 N +ATOM 3806 CA ALA A 376 -36.410 15.108 32.467 1.00 16.82 C +ATOM 3807 C ALA A 376 -35.696 14.282 33.555 1.00 17.83 C +ATOM 3808 O ALA A 376 -35.205 13.167 33.305 1.00 14.68 O +ATOM 3809 CB ALA A 376 -35.506 16.205 31.941 1.00 15.29 C +ATOM 3810 H ALA A 376 -37.702 16.710 33.030 1.00 0.00 H +ATOM 3811 HA ALA A 376 -36.663 14.444 31.640 1.00 0.00 H +ATOM 3812 HB1 ALA A 376 -34.585 15.765 31.559 1.00 0.00 H +ATOM 3813 HB2 ALA A 376 -36.013 16.741 31.138 1.00 0.00 H +ATOM 3814 HB3 ALA A 376 -35.269 16.899 32.747 1.00 0.00 H +ATOM 3815 N LYS A 377 -35.617 14.838 34.763 1.00 16.68 N +ATOM 3816 CA LYS A 377 -35.069 14.119 35.919 0.50 18.21 C +ATOM 3817 C LYS A 377 -35.826 12.815 36.191 1.00 18.23 C +ATOM 3818 O LYS A 377 -35.227 11.771 36.435 1.00 18.56 O +ATOM 3819 CB LYS A 377 -35.113 15.002 37.173 0.50 19.08 C +ATOM 3820 CG LYS A 377 -33.984 16.002 37.271 0.50 21.07 C +ATOM 3821 CD LYS A 377 -34.036 16.805 38.568 0.50 23.20 C +ATOM 3822 CE LYS A 377 -35.273 17.688 38.626 0.50 24.91 C +ATOM 3823 NZ LYS A 377 -35.209 18.731 39.691 0.50 32.32 N1+ +ATOM 3824 H LYS A 377 -35.940 15.784 34.906 1.00 0.00 H +ATOM 3825 HA LYS A 377 -34.028 13.874 35.708 0.50 0.00 H +ATOM 3826 HB2 LYS A 377 -36.066 15.529 37.210 0.50 0.00 H +ATOM 3827 HB3 LYS A 377 -35.113 14.369 38.060 0.50 0.00 H +ATOM 3828 HG2 LYS A 377 -33.030 15.479 37.207 0.50 0.00 H +ATOM 3829 HG3 LYS A 377 -34.028 16.683 36.421 0.50 0.00 H +ATOM 3830 HD2 LYS A 377 -34.038 16.122 39.418 0.50 0.00 H +ATOM 3831 HD3 LYS A 377 -33.143 17.426 38.647 0.50 0.00 H +ATOM 3832 HE2 LYS A 377 -35.421 18.168 37.658 0.50 0.00 H +ATOM 3833 HE3 LYS A 377 -36.155 17.066 38.781 0.50 0.00 H +ATOM 3834 HZ1 LYS A 377 -36.056 19.280 39.676 0.50 0.00 H +ATOM 3835 HZ2 LYS A 377 -35.112 18.287 40.593 0.50 0.00 H +ATOM 3836 HZ3 LYS A 377 -34.415 19.333 39.526 0.50 0.00 H +ATOM 3837 N SER A 378 -37.152 12.892 36.151 1.00 15.80 N +ATOM 3838 CA SER A 378 -38.030 11.739 36.321 1.00 16.67 C +ATOM 3839 C SER A 378 -37.797 10.654 35.245 1.00 13.37 C +ATOM 3840 O SER A 378 -37.601 9.485 35.563 1.00 15.48 O +ATOM 3841 CB SER A 378 -39.487 12.193 36.329 1.00 16.51 C +ATOM 3842 OG SER A 378 -40.368 11.089 36.418 1.00 17.75 O +ATOM 3843 H SER A 378 -37.602 13.783 35.996 1.00 0.00 H +ATOM 3844 HA SER A 378 -37.814 11.296 37.293 1.00 0.00 H +ATOM 3845 HB2 SER A 378 -39.655 12.860 37.175 1.00 0.00 H +ATOM 3846 HB3 SER A 378 -39.698 12.753 35.418 1.00 0.00 H +ATOM 3847 HG SER A 378 -41.275 11.403 36.421 1.00 0.00 H +ATOM 3848 N LEU A 379 -37.756 11.070 33.987 1.00 13.89 N +ATOM 3849 CA LEU A 379 -37.499 10.137 32.888 1.00 14.48 C +ATOM 3850 C LEU A 379 -36.153 9.426 33.060 1.00 14.72 C +ATOM 3851 O LEU A 379 -36.076 8.204 33.003 1.00 15.79 O +ATOM 3852 CB LEU A 379 -37.556 10.846 31.540 1.00 15.43 C +ATOM 3853 CG LEU A 379 -37.260 9.915 30.354 1.00 12.33 C +ATOM 3854 CD1 LEU A 379 -38.470 9.083 29.999 1.00 15.85 C +ATOM 3855 CD2 LEU A 379 -36.753 10.671 29.147 1.00 16.72 C +ATOM 3856 H LEU A 379 -37.903 12.046 33.773 1.00 0.00 H +ATOM 3857 HA LEU A 379 -38.282 9.379 32.902 1.00 0.00 H +ATOM 3858 HB2 LEU A 379 -38.540 11.297 31.409 1.00 0.00 H +ATOM 3859 HB3 LEU A 379 -36.847 11.674 31.536 1.00 0.00 H +ATOM 3860 HG LEU A 379 -36.472 9.230 30.665 1.00 0.00 H +ATOM 3861 HD11 LEU A 379 -38.231 8.434 29.157 1.00 0.00 H +ATOM 3862 HD12 LEU A 379 -38.757 8.474 30.856 1.00 0.00 H +ATOM 3863 HD13 LEU A 379 -39.296 9.740 29.728 1.00 0.00 H +ATOM 3864 HD21 LEU A 379 -36.558 9.971 28.335 1.00 0.00 H +ATOM 3865 HD22 LEU A 379 -37.503 11.395 28.830 1.00 0.00 H +ATOM 3866 HD23 LEU A 379 -35.832 11.193 29.405 1.00 0.00 H +ATOM 3867 N LEU A 380 -35.094 10.208 33.247 1.00 15.05 N +ATOM 3868 CA LEU A 380 -33.756 9.643 33.393 1.00 12.96 C +ATOM 3869 C LEU A 380 -33.594 8.779 34.624 1.00 13.13 C +ATOM 3870 O LEU A 380 -32.961 7.741 34.552 1.00 14.30 O +ATOM 3871 CB LEU A 380 -32.708 10.739 33.383 1.00 13.36 C +ATOM 3872 CG LEU A 380 -32.667 11.565 32.090 1.00 10.72 C +ATOM 3873 CD1 LEU A 380 -31.693 12.717 32.285 1.00 14.82 C +ATOM 3874 CD2 LEU A 380 -32.341 10.747 30.835 1.00 13.50 C +ATOM 3875 H LEU A 380 -35.208 11.211 33.290 1.00 0.00 H +ATOM 3876 HA LEU A 380 -33.573 9.010 32.525 1.00 0.00 H +ATOM 3877 HB2 LEU A 380 -32.873 11.404 34.231 1.00 0.00 H +ATOM 3878 HB3 LEU A 380 -31.726 10.301 33.563 1.00 0.00 H +ATOM 3879 HG LEU A 380 -33.658 11.997 31.948 1.00 0.00 H +ATOM 3880 HD11 LEU A 380 -31.651 13.316 31.375 1.00 0.00 H +ATOM 3881 HD12 LEU A 380 -32.028 13.340 33.114 1.00 0.00 H +ATOM 3882 HD13 LEU A 380 -30.701 12.322 32.506 1.00 0.00 H +ATOM 3883 HD21 LEU A 380 -32.331 11.404 29.965 1.00 0.00 H +ATOM 3884 HD22 LEU A 380 -31.362 10.281 30.949 1.00 0.00 H +ATOM 3885 HD23 LEU A 380 -33.097 9.974 30.698 1.00 0.00 H +ATOM 3886 N SER A 381 -34.180 9.202 35.739 1.00 14.46 N +ATOM 3887 CA SER A 381 -34.208 8.377 36.950 1.00 17.46 C +ATOM 3888 C SER A 381 -34.855 7.003 36.702 1.00 17.79 C +ATOM 3889 O SER A 381 -34.353 5.984 37.164 1.00 17.13 O +ATOM 3890 CB SER A 381 -34.945 9.101 38.083 1.00 16.83 C +ATOM 3891 OG SER A 381 -34.243 10.267 38.446 1.00 21.75 O +ATOM 3892 H SER A 381 -34.620 10.111 35.765 1.00 0.00 H +ATOM 3893 HA SER A 381 -33.179 8.212 37.269 1.00 0.00 H +ATOM 3894 HB2 SER A 381 -35.948 9.370 37.750 1.00 0.00 H +ATOM 3895 HB3 SER A 381 -35.022 8.440 38.946 1.00 0.00 H +ATOM 3896 HG SER A 381 -34.710 10.715 39.155 1.00 0.00 H +ATOM 3897 N GLY A 382 -35.956 6.992 35.957 1.00 17.14 N +ATOM 3898 CA GLY A 382 -36.644 5.760 35.619 1.00 16.13 C +ATOM 3899 C GLY A 382 -35.879 4.877 34.650 1.00 14.71 C +ATOM 3900 O GLY A 382 -35.852 3.647 34.789 1.00 15.16 O +ATOM 3901 H GLY A 382 -36.338 7.859 35.608 1.00 0.00 H +ATOM 3902 HA2 GLY A 382 -36.852 5.200 36.531 1.00 0.00 H +ATOM 3903 HA3 GLY A 382 -37.622 5.996 35.199 1.00 0.00 H +ATOM 3904 N LEU A 383 -35.231 5.496 33.661 1.00 15.57 N +ATOM 3905 CA LEU A 383 -34.480 4.723 32.676 1.00 14.72 C +ATOM 3906 C LEU A 383 -33.188 4.157 33.258 1.00 12.29 C +ATOM 3907 O LEU A 383 -32.709 3.126 32.813 1.00 11.66 O +ATOM 3908 CB LEU A 383 -34.167 5.559 31.434 1.00 13.67 C +ATOM 3909 CG LEU A 383 -35.337 6.006 30.562 1.00 11.71 C +ATOM 3910 CD1 LEU A 383 -34.882 7.067 29.566 1.00 11.81 C +ATOM 3911 CD2 LEU A 383 -35.993 4.809 29.843 1.00 13.46 C +ATOM 3912 H LEU A 383 -35.259 6.503 33.592 1.00 0.00 H +ATOM 3913 HA LEU A 383 -35.102 3.884 32.365 1.00 0.00 H +ATOM 3914 HB2 LEU A 383 -33.587 6.433 31.729 1.00 0.00 H +ATOM 3915 HB3 LEU A 383 -33.445 5.025 30.817 1.00 0.00 H +ATOM 3916 HG LEU A 383 -36.086 6.457 31.213 1.00 0.00 H +ATOM 3917 HD11 LEU A 383 -35.728 7.376 28.951 1.00 0.00 H +ATOM 3918 HD12 LEU A 383 -34.492 7.930 30.106 1.00 0.00 H +ATOM 3919 HD13 LEU A 383 -34.100 6.655 28.927 1.00 0.00 H +ATOM 3920 HD21 LEU A 383 -36.823 5.163 29.231 1.00 0.00 H +ATOM 3921 HD22 LEU A 383 -35.256 4.318 29.207 1.00 0.00 H +ATOM 3922 HD23 LEU A 383 -36.364 4.100 30.582 1.00 0.00 H +ATOM 3923 N LEU A 384 -32.655 4.820 34.292 1.00 13.25 N +ATOM 3924 CA LEU A 384 -31.371 4.441 34.869 1.00 13.88 C +ATOM 3925 C LEU A 384 -31.538 3.754 36.225 1.00 15.36 C +ATOM 3926 O LEU A 384 -30.617 3.710 37.023 1.00 16.88 O +ATOM 3927 CB LEU A 384 -30.452 5.656 34.934 1.00 13.85 C +ATOM 3928 CG LEU A 384 -30.070 6.212 33.560 1.00 11.80 C +ATOM 3929 CD1 LEU A 384 -29.343 7.535 33.707 1.00 14.41 C +ATOM 3930 CD2 LEU A 384 -29.241 5.213 32.749 1.00 15.59 C +ATOM 3931 H LEU A 384 -33.145 5.607 34.694 1.00 0.00 H +ATOM 3932 HA LEU A 384 -30.910 3.720 34.193 1.00 0.00 H +ATOM 3933 HB2 LEU A 384 -30.930 6.440 35.521 1.00 0.00 H +ATOM 3934 HB3 LEU A 384 -29.547 5.396 35.483 1.00 0.00 H +ATOM 3935 HG LEU A 384 -30.992 6.400 33.011 1.00 0.00 H +ATOM 3936 HD11 LEU A 384 -29.079 7.916 32.721 1.00 0.00 H +ATOM 3937 HD12 LEU A 384 -29.991 8.252 34.212 1.00 0.00 H +ATOM 3938 HD13 LEU A 384 -28.437 7.389 34.294 1.00 0.00 H +ATOM 3939 HD21 LEU A 384 -28.992 5.648 31.781 1.00 0.00 H +ATOM 3940 HD22 LEU A 384 -28.323 4.979 33.289 1.00 0.00 H +ATOM 3941 HD23 LEU A 384 -29.817 4.300 32.599 1.00 0.00 H +ATOM 3942 N LYS A 385 -32.710 3.179 36.464 1.00 13.86 N +ATOM 3943 CA LYS A 385 -32.857 2.276 37.602 1.00 14.19 C +ATOM 3944 C LYS A 385 -31.958 1.069 37.367 1.00 17.32 C +ATOM 3945 O LYS A 385 -31.925 0.501 36.280 1.00 16.93 O +ATOM 3946 CB LYS A 385 -34.297 1.793 37.782 1.00 13.82 C +ATOM 3947 CG LYS A 385 -35.299 2.845 38.171 1.00 18.25 C +ATOM 3948 CD LYS A 385 -35.128 3.239 39.618 1.00 22.84 C +ATOM 3949 CE LYS A 385 -35.970 4.450 39.972 1.00 30.26 C +ATOM 3950 NZ LYS A 385 -37.426 4.178 39.786 1.00 42.65 N1+ +ATOM 3951 H LYS A 385 -33.497 3.366 35.860 1.00 0.00 H +ATOM 3952 HA LYS A 385 -32.536 2.789 38.509 1.00 0.00 H +ATOM 3953 HB2 LYS A 385 -34.628 1.301 36.867 1.00 0.00 H +ATOM 3954 HB3 LYS A 385 -34.317 0.988 38.517 1.00 0.00 H +ATOM 3955 HG2 LYS A 385 -35.168 3.723 37.538 1.00 0.00 H +ATOM 3956 HG3 LYS A 385 -36.307 2.461 38.016 1.00 0.00 H +ATOM 3957 HD2 LYS A 385 -35.409 2.402 40.257 1.00 0.00 H +ATOM 3958 HD3 LYS A 385 -34.078 3.458 39.813 1.00 0.00 H +ATOM 3959 HE2 LYS A 385 -35.783 4.731 41.008 1.00 0.00 H +ATOM 3960 HE3 LYS A 385 -35.675 5.292 39.346 1.00 0.00 H +ATOM 3961 HZ1 LYS A 385 -37.957 5.002 40.030 1.00 0.00 H +ATOM 3962 HZ2 LYS A 385 -37.603 3.937 38.821 1.00 0.00 H +ATOM 3963 HZ3 LYS A 385 -37.704 3.411 40.381 1.00 0.00 H +ATOM 3964 N LYS A 386 -31.234 0.673 38.400 1.00 17.01 N +ATOM 3965 CA LYS A 386 -30.247 -0.390 38.289 1.00 16.85 C +ATOM 3966 C LYS A 386 -30.886 -1.779 38.201 1.00 16.43 C +ATOM 3967 O LYS A 386 -30.343 -2.688 37.551 1.00 19.59 O +ATOM 3968 CB LYS A 386 -29.272 -0.293 39.457 1.00 18.57 C +ATOM 3969 CG LYS A 386 -28.502 1.022 39.464 1.00 16.95 C +ATOM 3970 CD LYS A 386 -27.235 0.920 40.251 1.00 22.07 C +ATOM 3971 CE LYS A 386 -26.595 2.281 40.512 1.00 21.11 C +ATOM 3972 NZ LYS A 386 -26.132 2.996 39.294 1.00 16.95 N1+ +ATOM 3973 H LYS A 386 -31.358 1.112 39.301 1.00 0.00 H +ATOM 3974 HA LYS A 386 -29.683 -0.225 37.371 1.00 0.00 H +ATOM 3975 HB2 LYS A 386 -29.818 -0.398 40.395 1.00 0.00 H +ATOM 3976 HB3 LYS A 386 -28.569 -1.125 39.412 1.00 0.00 H +ATOM 3977 HG2 LYS A 386 -28.270 1.312 38.439 1.00 0.00 H +ATOM 3978 HG3 LYS A 386 -29.129 1.807 39.886 1.00 0.00 H +ATOM 3979 HD2 LYS A 386 -27.438 0.427 41.202 1.00 0.00 H +ATOM 3980 HD3 LYS A 386 -26.528 0.283 39.719 1.00 0.00 H +ATOM 3981 HE2 LYS A 386 -27.298 2.912 41.055 1.00 0.00 H +ATOM 3982 HE3 LYS A 386 -25.758 2.160 41.199 1.00 0.00 H +ATOM 3983 HZ1 LYS A 386 -25.724 3.882 39.557 1.00 0.00 H +ATOM 3984 HZ2 LYS A 386 -25.440 2.436 38.817 1.00 0.00 H +ATOM 3985 HZ3 LYS A 386 -26.917 3.157 38.679 1.00 0.00 H +ATOM 3986 N ASP A 387 -32.048 -1.922 38.823 1.00 17.95 N +ATOM 3987 CA ASP A 387 -32.813 -3.164 38.745 1.00 20.00 C +ATOM 3988 C ASP A 387 -33.717 -3.104 37.517 1.00 17.57 C +ATOM 3989 O ASP A 387 -34.637 -2.275 37.474 1.00 18.20 O +ATOM 3990 CB ASP A 387 -33.635 -3.346 40.023 1.00 20.05 C +ATOM 3991 CG ASP A 387 -34.497 -4.598 40.005 1.00 24.95 C +ATOM 3992 OD1 ASP A 387 -34.447 -5.381 39.030 1.00 23.62 O +ATOM 3993 OD2 ASP A 387 -35.230 -4.802 40.996 1.00 28.63 O1- +ATOM 3994 H ASP A 387 -32.426 -1.161 39.368 1.00 0.00 H +ATOM 3995 HA ASP A 387 -32.124 -4.002 38.641 1.00 0.00 H +ATOM 3996 HB2 ASP A 387 -32.965 -3.380 40.882 1.00 0.00 H +ATOM 3997 HB3 ASP A 387 -34.269 -2.472 40.173 1.00 0.00 H +ATOM 3998 N PRO A 388 -33.459 -3.968 36.512 1.00 18.62 N +ATOM 3999 CA PRO A 388 -34.288 -3.879 35.300 1.00 18.92 C +ATOM 4000 C PRO A 388 -35.787 -4.063 35.550 1.00 19.14 C +ATOM 4001 O PRO A 388 -36.606 -3.494 34.821 1.00 19.33 O +ATOM 4002 CB PRO A 388 -33.728 -4.967 34.373 1.00 18.55 C +ATOM 4003 CG PRO A 388 -32.843 -5.825 35.226 1.00 20.51 C +ATOM 4004 CD PRO A 388 -32.413 -5.010 36.407 1.00 18.25 C +ATOM 4005 HA PRO A 388 -34.127 -2.906 34.836 1.00 0.00 H +ATOM 4006 HB2 PRO A 388 -34.549 -5.569 33.983 1.00 0.00 H +ATOM 4007 HB3 PRO A 388 -33.133 -4.502 33.587 1.00 0.00 H +ATOM 4008 HG2 PRO A 388 -33.403 -6.695 35.570 1.00 0.00 H +ATOM 4009 HG3 PRO A 388 -31.966 -6.124 34.653 1.00 0.00 H +ATOM 4010 HD2 PRO A 388 -32.434 -5.633 37.301 1.00 0.00 H +ATOM 4011 HD3 PRO A 388 -31.455 -4.538 36.189 1.00 0.00 H +ATOM 4012 N LYS A 389 -36.149 -4.783 36.618 1.00 22.16 N +ATOM 4013 CA LYS A 389 -37.559 -4.965 36.994 1.00 24.19 C +ATOM 4014 C LYS A 389 -38.240 -3.683 37.450 1.00 22.63 C +ATOM 4015 O LYS A 389 -39.454 -3.564 37.338 1.00 22.37 O +ATOM 4016 CB LYS A 389 -37.688 -6.012 38.112 1.00 28.21 C +ATOM 4017 CG LYS A 389 -37.362 -7.431 37.690 1.00 36.18 C +ATOM 4018 CD LYS A 389 -38.486 -8.031 36.852 1.00 46.75 C +ATOM 4019 CE LYS A 389 -38.134 -9.415 36.307 1.00 51.94 C +ATOM 4020 NZ LYS A 389 -38.624 -9.595 34.898 1.00 53.01 N1+ +ATOM 4021 H LYS A 389 -35.445 -5.221 37.194 1.00 0.00 H +ATOM 4022 HA LYS A 389 -38.094 -5.338 36.121 1.00 0.00 H +ATOM 4023 HB2 LYS A 389 -37.049 -5.728 38.948 1.00 0.00 H +ATOM 4024 HB3 LYS A 389 -38.698 -5.980 38.521 1.00 0.00 H +ATOM 4025 HG2 LYS A 389 -36.437 -7.434 37.113 1.00 0.00 H +ATOM 4026 HG3 LYS A 389 -37.202 -8.045 38.576 1.00 0.00 H +ATOM 4027 HD2 LYS A 389 -39.391 -8.099 37.455 1.00 0.00 H +ATOM 4028 HD3 LYS A 389 -38.716 -7.363 36.022 1.00 0.00 H +ATOM 4029 HE2 LYS A 389 -37.053 -9.552 36.335 1.00 0.00 H +ATOM 4030 HE3 LYS A 389 -38.577 -10.180 36.945 1.00 0.00 H +ATOM 4031 HZ1 LYS A 389 -38.375 -10.517 34.570 1.00 0.00 H +ATOM 4032 HZ2 LYS A 389 -39.628 -9.489 34.874 1.00 0.00 H +ATOM 4033 HZ3 LYS A 389 -38.198 -8.900 34.302 1.00 0.00 H +ATOM 4034 N GLN A 390 -37.451 -2.745 37.973 1.00 19.99 N +ATOM 4035 CA GLN A 390 -37.925 -1.440 38.426 1.00 22.95 C +ATOM 4036 C GLN A 390 -37.754 -0.326 37.384 1.00 21.28 C +ATOM 4037 O GLN A 390 -38.225 0.789 37.584 1.00 22.90 O +ATOM 4038 CB GLN A 390 -37.164 -1.037 39.685 1.00 23.43 C +ATOM 4039 CG GLN A 390 -37.441 -1.899 40.899 1.00 30.73 C +ATOM 4040 CD GLN A 390 -36.450 -1.623 42.020 1.00 44.85 C +ATOM 4041 NE2 GLN A 390 -36.243 -2.618 42.885 1.00 47.57 N +ATOM 4042 OE1 GLN A 390 -35.863 -0.530 42.102 1.00 47.96 O +ATOM 4043 H GLN A 390 -36.461 -2.917 38.075 1.00 0.00 H +ATOM 4044 HA GLN A 390 -38.983 -1.523 38.673 1.00 0.00 H +ATOM 4045 HB2 GLN A 390 -36.094 -1.041 39.477 1.00 0.00 H +ATOM 4046 HB3 GLN A 390 -37.386 0.003 39.923 1.00 0.00 H +ATOM 4047 HG2 GLN A 390 -38.454 -1.709 41.255 1.00 0.00 H +ATOM 4048 HG3 GLN A 390 -37.386 -2.951 40.617 1.00 0.00 H +ATOM 4049 HE21 GLN A 390 -36.733 -3.494 42.774 1.00 0.00 H +ATOM 4050 HE22 GLN A 390 -35.596 -2.495 43.651 1.00 0.00 H +ATOM 4051 N ARG A 391 -37.067 -0.634 36.286 1.00 19.14 N +ATOM 4052 CA ARG A 391 -36.777 0.344 35.239 1.00 17.99 C +ATOM 4053 C ARG A 391 -37.996 0.684 34.370 1.00 16.68 C +ATOM 4054 O ARG A 391 -38.839 -0.161 34.062 1.00 17.94 O +ATOM 4055 CB ARG A 391 -35.638 -0.188 34.368 1.00 17.08 C +ATOM 4056 CG ARG A 391 -35.008 0.805 33.355 1.00 12.76 C +ATOM 4057 CD ARG A 391 -33.824 0.165 32.646 1.00 11.79 C +ATOM 4058 NE ARG A 391 -32.810 -0.267 33.606 1.00 12.95 N +ATOM 4059 CZ ARG A 391 -32.047 -1.337 33.485 1.00 14.48 C +ATOM 4060 NH1 ARG A 391 -32.085 -2.082 32.390 1.00 16.40 N1+ +ATOM 4061 NH2 ARG A 391 -31.188 -1.649 34.441 1.00 13.95 N1+ +ATOM 4062 H ARG A 391 -36.724 -1.574 36.152 1.00 0.00 H +ATOM 4063 HA ARG A 391 -36.436 1.262 35.718 1.00 0.00 H +ATOM 4064 HB2 ARG A 391 -34.854 -0.591 35.009 1.00 0.00 H +ATOM 4065 HB3 ARG A 391 -35.979 -1.076 33.835 1.00 0.00 H +ATOM 4066 HG2 ARG A 391 -35.757 1.097 32.619 1.00 0.00 H +ATOM 4067 HG3 ARG A 391 -34.675 1.699 33.882 1.00 0.00 H +ATOM 4068 HD2 ARG A 391 -34.167 -0.694 32.070 1.00 0.00 H +ATOM 4069 HD3 ARG A 391 -33.385 0.882 31.953 1.00 0.00 H +ATOM 4070 HE ARG A 391 -32.717 0.331 34.415 1.00 0.00 H +ATOM 4071 HH11 ARG A 391 -32.705 -1.834 31.632 1.00 0.00 H +ATOM 4072 HH12 ARG A 391 -31.494 -2.898 32.313 1.00 0.00 H +ATOM 4073 HH21 ARG A 391 -31.116 -1.068 35.264 1.00 0.00 H +ATOM 4074 HH22 ARG A 391 -30.604 -2.468 34.348 1.00 0.00 H +ATOM 4075 N LEU A 392 -38.064 1.949 33.971 1.00 15.52 N +ATOM 4076 CA LEU A 392 -39.039 2.408 32.995 1.00 16.90 C +ATOM 4077 C LEU A 392 -38.791 1.654 31.685 1.00 17.16 C +ATOM 4078 O LEU A 392 -37.680 1.652 31.167 1.00 17.82 O +ATOM 4079 CB LEU A 392 -38.866 3.917 32.795 1.00 18.56 C +ATOM 4080 CG LEU A 392 -39.983 4.722 32.161 1.00 22.31 C +ATOM 4081 CD1 LEU A 392 -41.191 4.780 33.076 1.00 23.22 C +ATOM 4082 CD2 LEU A 392 -39.484 6.120 31.844 1.00 20.56 C +ATOM 4083 H LEU A 392 -37.423 2.633 34.348 1.00 0.00 H +ATOM 4084 HA LEU A 392 -40.046 2.198 33.355 1.00 0.00 H +ATOM 4085 HB2 LEU A 392 -38.598 4.373 33.748 1.00 0.00 H +ATOM 4086 HB3 LEU A 392 -37.942 4.098 32.245 1.00 0.00 H +ATOM 4087 HG LEU A 392 -40.275 4.238 31.229 1.00 0.00 H +ATOM 4088 HD11 LEU A 392 -41.980 5.363 32.600 1.00 0.00 H +ATOM 4089 HD12 LEU A 392 -41.551 3.769 33.267 1.00 0.00 H +ATOM 4090 HD13 LEU A 392 -40.911 5.250 34.019 1.00 0.00 H +ATOM 4091 HD21 LEU A 392 -40.288 6.698 31.388 1.00 0.00 H +ATOM 4092 HD22 LEU A 392 -39.162 6.609 32.764 1.00 0.00 H +ATOM 4093 HD23 LEU A 392 -38.644 6.058 31.152 1.00 0.00 H +ATOM 4094 N GLY A 393 -39.831 1.006 31.180 1.00 16.56 N +ATOM 4095 CA GLY A 393 -39.718 0.114 30.044 1.00 18.04 C +ATOM 4096 C GLY A 393 -39.434 -1.325 30.410 1.00 16.96 C +ATOM 4097 O GLY A 393 -39.393 -2.180 29.531 1.00 18.06 O +ATOM 4098 H GLY A 393 -40.747 1.125 31.589 1.00 0.00 H +ATOM 4099 HA2 GLY A 393 -40.633 0.163 29.454 1.00 0.00 H +ATOM 4100 HA3 GLY A 393 -38.937 0.477 29.376 1.00 0.00 H +ATOM 4101 N GLY A 394 -39.267 -1.608 31.708 1.00 17.18 N +ATOM 4102 CA GLY A 394 -38.790 -2.926 32.148 1.00 17.55 C +ATOM 4103 C GLY A 394 -39.870 -3.967 32.434 1.00 21.80 C +ATOM 4104 O GLY A 394 -39.565 -5.108 32.781 1.00 23.79 O +ATOM 4105 H GLY A 394 -39.470 -0.908 32.408 1.00 0.00 H +ATOM 4106 HA2 GLY A 394 -38.095 -3.323 31.408 1.00 0.00 H +ATOM 4107 HA3 GLY A 394 -38.164 -2.805 33.032 1.00 0.00 H +ATOM 4108 N GLY A 395 -41.123 -3.563 32.271 1.00 24.98 N +ATOM 4109 CA GLY A 395 -42.276 -4.435 32.473 1.00 25.22 C +ATOM 4110 C GLY A 395 -42.814 -4.973 31.168 1.00 25.26 C +ATOM 4111 O GLY A 395 -42.205 -4.811 30.109 1.00 22.98 O +ATOM 4112 H GLY A 395 -41.315 -2.611 31.994 1.00 0.00 H +ATOM 4113 HA2 GLY A 395 -41.993 -5.266 33.119 1.00 0.00 H +ATOM 4114 HA3 GLY A 395 -43.062 -3.883 32.989 1.00 0.00 H +ATOM 4115 N SER A 396 -43.974 -5.611 31.243 1.00 23.16 N +ATOM 4116 CA SER A 396 -44.543 -6.303 30.093 1.00 25.28 C +ATOM 4117 C SER A 396 -44.890 -5.348 28.953 1.00 25.36 C +ATOM 4118 O SER A 396 -44.891 -5.743 27.793 1.00 27.01 O +ATOM 4119 CB SER A 396 -45.786 -7.107 30.510 1.00 25.81 C +ATOM 4120 OG SER A 396 -46.862 -6.253 30.871 1.00 27.79 O +ATOM 4121 H SER A 396 -44.487 -5.626 32.113 1.00 0.00 H +ATOM 4122 HA SER A 396 -43.797 -7.007 29.724 1.00 0.00 H +ATOM 4123 HB2 SER A 396 -46.095 -7.751 29.686 1.00 0.00 H +ATOM 4124 HB3 SER A 396 -45.535 -7.751 31.353 1.00 0.00 H +ATOM 4125 HG SER A 396 -47.621 -6.783 31.125 1.00 0.00 H +ATOM 4126 N GLU A 397 -45.172 -4.092 29.279 1.00 24.32 N +ATOM 4127 CA GLU A 397 -45.537 -3.102 28.265 1.00 26.09 C +ATOM 4128 C GLU A 397 -44.352 -2.528 27.480 1.00 20.92 C +ATOM 4129 O GLU A 397 -44.555 -1.865 26.471 1.00 18.63 O +ATOM 4130 CB GLU A 397 -46.334 -1.972 28.908 1.00 28.76 C +ATOM 4131 CG GLU A 397 -47.756 -2.384 29.279 1.00 39.15 C +ATOM 4132 CD GLU A 397 -48.610 -2.653 28.052 1.00 47.66 C +ATOM 4133 OE1 GLU A 397 -48.724 -1.746 27.195 1.00 53.28 O +ATOM 4134 OE2 GLU A 397 -49.158 -3.771 27.939 1.00 56.46 O1- +ATOM 4135 H GLU A 397 -45.137 -3.801 30.246 1.00 0.00 H +ATOM 4136 HA GLU A 397 -46.193 -3.596 27.549 1.00 0.00 H +ATOM 4137 HB2 GLU A 397 -45.813 -1.624 29.800 1.00 0.00 H +ATOM 4138 HB3 GLU A 397 -46.369 -1.121 28.228 1.00 0.00 H +ATOM 4139 HG2 GLU A 397 -47.724 -3.278 29.901 1.00 0.00 H +ATOM 4140 HG3 GLU A 397 -48.217 -1.597 29.876 1.00 0.00 H +ATOM 4141 N ASP A 398 -43.133 -2.779 27.950 1.00 19.99 N +ATOM 4142 CA ASP A 398 -41.915 -2.416 27.233 1.00 18.27 C +ATOM 4143 C ASP A 398 -41.943 -0.908 26.884 1.00 18.66 C +ATOM 4144 O ASP A 398 -42.129 -0.071 27.783 1.00 17.31 O +ATOM 4145 CB ASP A 398 -41.736 -3.352 26.024 1.00 18.93 C +ATOM 4146 CG ASP A 398 -40.304 -3.400 25.518 1.00 21.09 C +ATOM 4147 OD1 ASP A 398 -39.351 -3.278 26.290 1.00 22.40 O +ATOM 4148 OD2 ASP A 398 -40.127 -3.610 24.320 1.00 27.67 O1- +ATOM 4149 H ASP A 398 -43.021 -3.241 28.841 1.00 0.00 H +ATOM 4150 HA ASP A 398 -41.074 -2.583 27.906 1.00 0.00 H +ATOM 4151 HB2 ASP A 398 -42.059 -4.358 26.294 1.00 0.00 H +ATOM 4152 HB3 ASP A 398 -42.395 -3.031 25.217 1.00 0.00 H +ATOM 4153 N ALA A 399 -41.792 -0.564 25.601 1.00 17.95 N +ATOM 4154 CA ALA A 399 -41.680 0.838 25.166 1.00 16.28 C +ATOM 4155 C ALA A 399 -42.883 1.681 25.539 1.00 17.02 C +ATOM 4156 O ALA A 399 -42.745 2.876 25.722 1.00 17.11 O +ATOM 4157 CB ALA A 399 -41.439 0.927 23.662 1.00 15.81 C +ATOM 4158 H ALA A 399 -41.751 -1.278 24.888 1.00 0.00 H +ATOM 4159 HA ALA A 399 -40.811 1.268 25.664 1.00 0.00 H +ATOM 4160 HB1 ALA A 399 -41.360 1.973 23.367 1.00 0.00 H +ATOM 4161 HB2 ALA A 399 -40.514 0.409 23.410 1.00 0.00 H +ATOM 4162 HB3 ALA A 399 -42.271 0.463 23.132 1.00 0.00 H +ATOM 4163 N LYS A 400 -44.058 1.062 25.669 1.00 16.26 N +ATOM 4164 CA LYS A 400 -45.279 1.826 25.916 1.00 17.03 C +ATOM 4165 C LYS A 400 -45.215 2.576 27.262 1.00 14.56 C +ATOM 4166 O LYS A 400 -45.735 3.694 27.380 1.00 17.14 O +ATOM 4167 CB LYS A 400 -46.517 0.933 25.793 1.00 22.26 C +ATOM 4168 CG LYS A 400 -46.952 0.662 24.313 1.00 27.58 C +ATOM 4169 CD LYS A 400 -45.875 -0.060 23.477 1.00 33.95 C +ATOM 4170 CE LYS A 400 -46.378 -0.564 22.113 1.00 32.92 C +ATOM 4171 NZ LYS A 400 -45.452 -1.618 21.589 1.00 26.47 N1+ +ATOM 4172 H LYS A 400 -44.109 0.056 25.597 1.00 0.00 H +ATOM 4173 HA LYS A 400 -45.349 2.580 25.132 1.00 0.00 H +ATOM 4174 HB2 LYS A 400 -46.329 -0.016 26.294 1.00 0.00 H +ATOM 4175 HB3 LYS A 400 -47.346 1.387 26.336 1.00 0.00 H +ATOM 4176 HG2 LYS A 400 -47.869 0.073 24.308 1.00 0.00 H +ATOM 4177 HG3 LYS A 400 -47.210 1.606 23.833 1.00 0.00 H +ATOM 4178 HD2 LYS A 400 -45.027 0.608 23.325 1.00 0.00 H +ATOM 4179 HD3 LYS A 400 -45.477 -0.899 24.048 1.00 0.00 H +ATOM 4180 HE2 LYS A 400 -47.378 -0.983 22.227 1.00 0.00 H +ATOM 4181 HE3 LYS A 400 -46.416 0.268 21.410 1.00 0.00 H +ATOM 4182 HZ1 LYS A 400 -45.786 -1.946 20.694 1.00 0.00 H +ATOM 4183 HZ2 LYS A 400 -44.526 -1.230 21.481 1.00 0.00 H +ATOM 4184 HZ3 LYS A 400 -45.419 -2.391 22.239 1.00 0.00 H +ATOM 4185 N GLU A 401 -44.483 2.014 28.230 1.00 18.44 N +ATOM 4186 CA GLU A 401 -44.304 2.675 29.529 0.50 18.35 C +ATOM 4187 C GLU A 401 -43.516 3.983 29.381 1.00 17.71 C +ATOM 4188 O GLU A 401 -43.812 4.978 30.045 1.00 19.31 O +ATOM 4189 CB GLU A 401 -43.603 1.746 30.518 0.50 18.35 C +ATOM 4190 CG GLU A 401 -43.716 2.205 31.971 0.50 18.36 C +ATOM 4191 CD GLU A 401 -42.946 1.336 32.959 0.50 19.27 C +ATOM 4192 OE1 GLU A 401 -42.168 0.458 32.540 0.50 18.32 O +ATOM 4193 OE2 GLU A 401 -43.121 1.542 34.174 0.50 25.04 O1- +ATOM 4194 H GLU A 401 -44.041 1.119 28.074 1.00 0.00 H +ATOM 4195 HA GLU A 401 -45.290 2.915 29.927 0.50 0.00 H +ATOM 4196 HB2 GLU A 401 -44.013 0.741 30.423 0.50 0.00 H +ATOM 4197 HB3 GLU A 401 -42.551 1.657 30.247 0.50 0.00 H +ATOM 4198 HG2 GLU A 401 -43.372 3.236 32.052 0.50 0.00 H +ATOM 4199 HG3 GLU A 401 -44.767 2.236 32.259 0.50 0.00 H +ATOM 4200 N ILE A 402 -42.522 3.977 28.495 1.00 16.15 N +ATOM 4201 CA ILE A 402 -41.720 5.161 28.229 1.00 16.50 C +ATOM 4202 C ILE A 402 -42.541 6.174 27.438 1.00 16.95 C +ATOM 4203 O ILE A 402 -42.559 7.371 27.756 1.00 15.92 O +ATOM 4204 CB ILE A 402 -40.410 4.791 27.511 1.00 16.26 C +ATOM 4205 CG1 ILE A 402 -39.564 3.875 28.400 1.00 17.33 C +ATOM 4206 CG2 ILE A 402 -39.595 6.054 27.134 1.00 16.28 C +ATOM 4207 CD1 ILE A 402 -38.488 3.134 27.664 1.00 20.25 C +ATOM 4208 H ILE A 402 -42.306 3.133 27.984 1.00 0.00 H +ATOM 4209 HA ILE A 402 -41.462 5.613 29.187 1.00 0.00 H +ATOM 4210 HB ILE A 402 -40.657 4.253 26.596 1.00 0.00 H +ATOM 4211 HG12 ILE A 402 -39.115 4.463 29.201 1.00 0.00 H +ATOM 4212 HG13 ILE A 402 -40.214 3.161 28.905 1.00 0.00 H +ATOM 4213 HG21 ILE A 402 -38.676 5.757 26.629 1.00 0.00 H +ATOM 4214 HG22 ILE A 402 -40.187 6.684 26.470 1.00 0.00 H +ATOM 4215 HG23 ILE A 402 -39.348 6.611 28.038 1.00 0.00 H +ATOM 4216 HD11 ILE A 402 -37.934 2.508 28.363 1.00 0.00 H +ATOM 4217 HD12 ILE A 402 -38.939 2.508 26.894 1.00 0.00 H +ATOM 4218 HD13 ILE A 402 -37.808 3.847 27.199 1.00 0.00 H +ATOM 4219 N MET A 403 -43.247 5.692 26.418 1.00 14.44 N +ATOM 4220 CA MET A 403 -44.076 6.548 25.579 1.00 15.97 C +ATOM 4221 C MET A 403 -45.119 7.325 26.371 1.00 16.25 C +ATOM 4222 O MET A 403 -45.434 8.449 26.020 1.00 16.68 O +ATOM 4223 CB MET A 403 -44.731 5.725 24.473 1.00 15.09 C +ATOM 4224 CG MET A 403 -43.722 5.152 23.470 1.00 14.93 C +ATOM 4225 SD MET A 403 -44.443 3.867 22.451 1.00 22.35 S +ATOM 4226 CE MET A 403 -45.555 4.782 21.441 1.00 28.83 C +ATOM 4227 H MET A 403 -43.218 4.705 26.206 1.00 0.00 H +ATOM 4228 HA MET A 403 -43.419 7.275 25.101 1.00 0.00 H +ATOM 4229 HB2 MET A 403 -45.302 4.910 24.918 1.00 0.00 H +ATOM 4230 HB3 MET A 403 -45.457 6.343 23.944 1.00 0.00 H +ATOM 4231 HG2 MET A 403 -43.349 5.954 22.833 1.00 0.00 H +ATOM 4232 HG3 MET A 403 -42.864 4.749 24.009 1.00 0.00 H +ATOM 4233 HE1 MET A 403 -46.070 4.104 20.760 1.00 0.00 H +ATOM 4234 HE2 MET A 403 -46.287 5.288 22.071 1.00 0.00 H +ATOM 4235 HE3 MET A 403 -44.999 5.522 20.865 1.00 0.00 H +ATOM 4236 N GLN A 404 -45.612 6.725 27.456 1.00 16.40 N +ATOM 4237 CA GLN A 404 -46.601 7.346 28.344 1.00 18.28 C +ATOM 4238 C GLN A 404 -46.024 8.250 29.434 1.00 17.58 C +ATOM 4239 O GLN A 404 -46.780 8.941 30.127 1.00 18.63 O +ATOM 4240 CB GLN A 404 -47.485 6.266 28.973 1.00 20.03 C +ATOM 4241 CG GLN A 404 -48.391 5.588 27.949 1.00 26.89 C +ATOM 4242 CD GLN A 404 -49.292 4.517 28.545 1.00 33.87 C +ATOM 4243 NE2 GLN A 404 -50.506 4.406 28.009 1.00 37.20 N +ATOM 4244 OE1 GLN A 404 -48.900 3.791 29.462 1.00 36.22 O +ATOM 4245 H GLN A 404 -45.305 5.795 27.702 1.00 0.00 H +ATOM 4246 HA GLN A 404 -47.246 7.966 27.722 1.00 0.00 H +ATOM 4247 HB2 GLN A 404 -46.856 5.516 29.453 1.00 0.00 H +ATOM 4248 HB3 GLN A 404 -48.096 6.710 29.759 1.00 0.00 H +ATOM 4249 HG2 GLN A 404 -49.004 6.341 27.453 1.00 0.00 H +ATOM 4250 HG3 GLN A 404 -47.780 5.149 27.160 1.00 0.00 H +ATOM 4251 HE21 GLN A 404 -50.781 5.014 27.251 1.00 0.00 H +ATOM 4252 HE22 GLN A 404 -51.152 3.714 28.361 1.00 0.00 H +ATOM 4253 N HID A 405 -44.702 8.294 29.579 1.00 18.84 N +ATOM 4254 CA HID A 405 -44.093 9.143 30.597 1.00 18.18 C +ATOM 4255 C HID A 405 -44.379 10.646 30.308 1.00 16.29 C +ATOM 4256 O HID A 405 -44.412 11.089 29.148 1.00 18.13 O +ATOM 4257 CB HID A 405 -42.588 8.875 30.704 1.00 17.65 C +ATOM 4258 CG HID A 405 -41.944 9.515 31.897 1.00 16.96 C +ATOM 4259 CD2 HID A 405 -41.597 9.001 33.102 1.00 19.27 C +ATOM 4260 ND1 HID A 405 -41.585 10.846 31.930 1.00 17.89 N +ATOM 4261 CE1 HID A 405 -41.058 11.125 33.110 1.00 16.35 C +ATOM 4262 NE2 HID A 405 -41.034 10.018 33.828 1.00 15.59 N +ATOM 4263 H HID A 405 -44.110 7.736 28.981 1.00 0.00 H +ATOM 4264 HA HID A 405 -44.547 8.894 31.556 1.00 0.00 H +ATOM 4265 HB2 HID A 405 -42.413 7.799 30.732 1.00 0.00 H +ATOM 4266 HB3 HID A 405 -42.094 9.222 29.797 1.00 0.00 H +ATOM 4267 HD1 HID A 405 -41.743 11.432 31.123 1.00 0.00 H +ATOM 4268 HD2 HID A 405 -41.787 7.960 33.320 1.00 0.00 H +ATOM 4269 HE1 HID A 405 -40.737 12.132 33.333 1.00 0.00 H +ATOM 4270 N ARG A 406 -44.571 11.407 31.385 1.00 18.50 N +ATOM 4271 CA ARG A 406 -44.956 12.813 31.244 0.50 20.60 C +ATOM 4272 C ARG A 406 -43.911 13.669 30.521 1.00 19.59 C +ATOM 4273 O ARG A 406 -44.252 14.708 29.990 1.00 21.59 O +ATOM 4274 CB ARG A 406 -45.360 13.433 32.589 0.50 22.00 C +ATOM 4275 CG ARG A 406 -44.247 13.598 33.607 0.50 27.67 C +ATOM 4276 CD ARG A 406 -44.840 13.870 34.994 0.50 31.55 C +ATOM 4277 NE ARG A 406 -43.836 13.975 36.056 0.50 33.48 N +ATOM 4278 CZ ARG A 406 -43.151 12.953 36.569 0.50 32.99 C +ATOM 4279 NH1 ARG A 406 -43.319 11.712 36.116 0.50 24.76 N1+ +ATOM 4280 NH2 ARG A 406 -42.279 13.179 37.548 0.50 38.41 N1+ +ATOM 4281 H ARG A 406 -44.451 11.015 32.308 1.00 0.00 H +ATOM 4282 HA ARG A 406 -45.849 12.826 30.619 0.50 0.00 H +ATOM 4283 HB2 ARG A 406 -45.832 14.400 32.412 0.50 0.00 H +ATOM 4284 HB3 ARG A 406 -46.165 12.844 33.029 0.50 0.00 H +ATOM 4285 HG2 ARG A 406 -43.648 12.688 33.640 0.50 0.00 H +ATOM 4286 HG3 ARG A 406 -43.609 14.432 33.315 0.50 0.00 H +ATOM 4287 HD2 ARG A 406 -45.429 14.786 34.962 0.50 0.00 H +ATOM 4288 HD3 ARG A 406 -45.550 13.082 35.244 0.50 0.00 H +ATOM 4289 HE ARG A 406 -43.679 14.912 36.400 0.50 0.00 H +ATOM 4290 HH11 ARG A 406 -43.975 11.531 35.370 0.50 0.00 H +ATOM 4291 HH12 ARG A 406 -42.790 10.952 36.518 0.50 0.00 H +ATOM 4292 HH21 ARG A 406 -42.141 14.117 37.895 0.50 0.00 H +ATOM 4293 HH22 ARG A 406 -41.755 12.412 37.944 0.50 0.00 H +ATOM 4294 N PHE A 407 -42.657 13.220 30.457 1.00 18.21 N +ATOM 4295 CA PHE A 407 -41.656 13.922 29.654 1.00 18.07 C +ATOM 4296 C PHE A 407 -42.077 13.995 28.185 1.00 15.39 C +ATOM 4297 O PHE A 407 -41.799 14.958 27.510 1.00 16.73 O +ATOM 4298 CB PHE A 407 -40.287 13.245 29.783 1.00 18.18 C +ATOM 4299 CG PHE A 407 -39.190 13.914 28.996 1.00 17.74 C +ATOM 4300 CD1 PHE A 407 -38.555 15.036 29.493 1.00 18.90 C +ATOM 4301 CD2 PHE A 407 -38.785 13.408 27.768 1.00 19.65 C +ATOM 4302 CE1 PHE A 407 -37.539 15.649 28.781 1.00 23.76 C +ATOM 4303 CE2 PHE A 407 -37.770 14.011 27.049 1.00 20.83 C +ATOM 4304 CZ PHE A 407 -37.147 15.131 27.549 1.00 22.92 C +ATOM 4305 H PHE A 407 -42.392 12.389 30.966 1.00 0.00 H +ATOM 4306 HA PHE A 407 -41.569 14.940 30.034 1.00 0.00 H +ATOM 4307 HB2 PHE A 407 -40.003 13.202 30.834 1.00 0.00 H +ATOM 4308 HB3 PHE A 407 -40.369 12.203 29.474 1.00 0.00 H +ATOM 4309 HD1 PHE A 407 -38.850 15.445 30.448 1.00 0.00 H +ATOM 4310 HD2 PHE A 407 -39.265 12.530 27.361 1.00 0.00 H +ATOM 4311 HE1 PHE A 407 -37.053 16.526 29.181 1.00 0.00 H +ATOM 4312 HE2 PHE A 407 -37.467 13.603 26.096 1.00 0.00 H +ATOM 4313 HZ PHE A 407 -36.356 15.608 26.989 1.00 0.00 H +ATOM 4314 N PHE A 408 -42.754 12.965 27.705 1.00 15.23 N +ATOM 4315 CA PHE A 408 -43.217 12.927 26.317 1.00 16.94 C +ATOM 4316 C PHE A 408 -44.698 13.335 26.160 1.00 18.57 C +ATOM 4317 O PHE A 408 -45.313 13.059 25.130 1.00 16.98 O +ATOM 4318 CB PHE A 408 -43.011 11.523 25.739 1.00 17.92 C +ATOM 4319 CG PHE A 408 -41.571 11.137 25.569 1.00 15.05 C +ATOM 4320 CD1 PHE A 408 -40.782 11.783 24.643 1.00 16.07 C +ATOM 4321 CD2 PHE A 408 -41.018 10.105 26.312 1.00 15.78 C +ATOM 4322 CE1 PHE A 408 -39.442 11.410 24.462 1.00 11.96 C +ATOM 4323 CE2 PHE A 408 -39.690 9.731 26.133 1.00 15.24 C +ATOM 4324 CZ PHE A 408 -38.904 10.395 25.220 1.00 14.58 C +ATOM 4325 H PHE A 408 -42.964 12.177 28.301 1.00 0.00 H +ATOM 4326 HA PHE A 408 -42.611 13.624 25.738 1.00 0.00 H +ATOM 4327 HB2 PHE A 408 -43.508 10.793 26.378 1.00 0.00 H +ATOM 4328 HB3 PHE A 408 -43.521 11.449 24.778 1.00 0.00 H +ATOM 4329 HD1 PHE A 408 -41.194 12.585 24.048 1.00 0.00 H +ATOM 4330 HD2 PHE A 408 -41.620 9.581 27.040 1.00 0.00 H +ATOM 4331 HE1 PHE A 408 -38.834 11.919 23.729 1.00 0.00 H +ATOM 4332 HE2 PHE A 408 -39.275 8.919 26.711 1.00 0.00 H +ATOM 4333 HZ PHE A 408 -37.867 10.121 25.097 1.00 0.00 H +ATOM 4334 N ALA A 409 -45.253 14.004 27.170 1.00 20.94 N +ATOM 4335 CA ALA A 409 -46.641 14.456 27.125 1.00 22.57 C +ATOM 4336 C ALA A 409 -46.846 15.318 25.878 1.00 22.75 C +ATOM 4337 O ALA A 409 -46.017 16.169 25.567 1.00 22.88 O +ATOM 4338 CB ALA A 409 -46.970 15.240 28.366 1.00 24.64 C +ATOM 4339 H ALA A 409 -44.711 14.212 27.997 1.00 0.00 H +ATOM 4340 HA ALA A 409 -47.297 13.587 27.069 1.00 0.00 H +ATOM 4341 HB1 ALA A 409 -48.007 15.572 28.322 1.00 0.00 H +ATOM 4342 HB2 ALA A 409 -46.828 14.609 29.243 1.00 0.00 H +ATOM 4343 HB3 ALA A 409 -46.314 16.108 28.433 1.00 0.00 H +ATOM 4344 N GLY A 410 -47.929 15.069 25.148 1.00 23.97 N +ATOM 4345 CA GLY A 410 -48.220 15.839 23.929 1.00 25.73 C +ATOM 4346 C GLY A 410 -47.646 15.268 22.637 1.00 24.53 C +ATOM 4347 O GLY A 410 -48.117 15.604 21.544 1.00 25.84 O +ATOM 4348 H GLY A 410 -48.570 14.340 25.427 1.00 0.00 H +ATOM 4349 HA2 GLY A 410 -49.299 15.953 23.824 1.00 0.00 H +ATOM 4350 HA3 GLY A 410 -47.869 16.863 24.057 1.00 0.00 H +ATOM 4351 N ILE A 411 -46.620 14.424 22.755 1.00 21.95 N +ATOM 4352 CA ILE A 411 -46.075 13.710 21.602 1.00 19.92 C +ATOM 4353 C ILE A 411 -47.138 12.752 21.067 1.00 18.50 C +ATOM 4354 O ILE A 411 -47.712 11.960 21.816 1.00 18.42 O +ATOM 4355 CB ILE A 411 -44.786 12.907 21.949 1.00 20.46 C +ATOM 4356 CG1 ILE A 411 -43.655 13.833 22.427 1.00 23.88 C +ATOM 4357 CG2 ILE A 411 -44.325 12.095 20.762 1.00 19.98 C +ATOM 4358 CD1 ILE A 411 -43.043 14.710 21.341 1.00 27.12 C +ATOM 4359 H ILE A 411 -46.199 14.264 23.659 1.00 0.00 H +ATOM 4360 HA ILE A 411 -45.836 14.435 20.824 1.00 0.00 H +ATOM 4361 HB ILE A 411 -45.024 12.218 22.759 1.00 0.00 H +ATOM 4362 HG12 ILE A 411 -44.023 14.464 23.236 1.00 0.00 H +ATOM 4363 HG13 ILE A 411 -42.871 13.235 22.892 1.00 0.00 H +ATOM 4364 HG21 ILE A 411 -43.424 11.542 21.027 1.00 0.00 H +ATOM 4365 HG22 ILE A 411 -45.109 11.394 20.474 1.00 0.00 H +ATOM 4366 HG23 ILE A 411 -44.110 12.761 19.927 1.00 0.00 H +ATOM 4367 HD11 ILE A 411 -42.255 15.327 21.773 1.00 0.00 H +ATOM 4368 HD12 ILE A 411 -42.622 14.079 20.558 1.00 0.00 H +ATOM 4369 HD13 ILE A 411 -43.814 15.352 20.914 1.00 0.00 H +ATOM 4370 N VAL A 412 -47.411 12.849 19.776 1.00 17.48 N +ATOM 4371 CA VAL A 412 -48.305 11.896 19.117 0.50 18.38 C +ATOM 4372 C VAL A 412 -47.429 10.892 18.371 1.00 16.20 C +ATOM 4373 O VAL A 412 -46.748 11.216 17.395 1.00 12.75 O +ATOM 4374 CB VAL A 412 -49.424 12.574 18.245 0.50 19.62 C +ATOM 4375 CG1 VAL A 412 -48.959 13.867 17.647 0.50 23.17 C +ATOM 4376 CG2 VAL A 412 -49.970 11.626 17.179 0.50 21.22 C +ATOM 4377 H VAL A 412 -47.000 13.591 19.227 1.00 0.00 H +ATOM 4378 HA VAL A 412 -48.813 11.344 19.907 0.50 0.00 H +ATOM 4379 HB VAL A 412 -50.251 12.811 18.915 0.50 0.00 H +ATOM 4380 HG11 VAL A 412 -49.762 14.302 17.052 0.50 0.00 H +ATOM 4381 HG12 VAL A 412 -48.682 14.557 18.444 0.50 0.00 H +ATOM 4382 HG13 VAL A 412 -48.094 13.683 17.009 0.50 0.00 H +ATOM 4383 HG21 VAL A 412 -50.740 12.135 16.600 0.50 0.00 H +ATOM 4384 HG22 VAL A 412 -49.161 11.319 16.516 0.50 0.00 H +ATOM 4385 HG23 VAL A 412 -50.399 10.747 17.659 0.50 0.00 H +ATOM 4386 N TRP A 413 -47.442 9.663 18.854 1.00 14.72 N +ATOM 4387 CA TRP A 413 -46.452 8.661 18.436 1.00 15.74 C +ATOM 4388 C TRP A 413 -46.578 8.235 16.973 1.00 15.36 C +ATOM 4389 O TRP A 413 -45.586 7.911 16.338 1.00 15.81 O +ATOM 4390 CB TRP A 413 -46.439 7.489 19.440 1.00 14.60 C +ATOM 4391 CG TRP A 413 -45.875 7.950 20.742 1.00 17.03 C +ATOM 4392 CD1 TRP A 413 -46.561 8.412 21.811 1.00 15.86 C +ATOM 4393 CD2 TRP A 413 -44.493 8.090 21.062 1.00 14.89 C +ATOM 4394 CE2 TRP A 413 -44.421 8.616 22.357 1.00 15.52 C +ATOM 4395 CE3 TRP A 413 -43.304 7.798 20.377 1.00 12.74 C +ATOM 4396 NE1 TRP A 413 -45.706 8.807 22.791 1.00 16.48 N +ATOM 4397 CZ2 TRP A 413 -43.209 8.866 22.989 1.00 14.53 C +ATOM 4398 CZ3 TRP A 413 -42.096 8.029 21.011 1.00 14.30 C +ATOM 4399 CH2 TRP A 413 -42.061 8.560 22.304 1.00 16.24 C +ATOM 4400 H TRP A 413 -48.144 9.393 19.528 1.00 0.00 H +ATOM 4401 HA TRP A 413 -45.479 9.144 18.526 1.00 0.00 H +ATOM 4402 HB2 TRP A 413 -47.457 7.130 19.592 1.00 0.00 H +ATOM 4403 HB3 TRP A 413 -45.826 6.679 19.045 1.00 0.00 H +ATOM 4404 HD1 TRP A 413 -47.641 8.426 21.795 1.00 0.00 H +ATOM 4405 HE1 TRP A 413 -46.068 9.169 23.662 1.00 0.00 H +ATOM 4406 HE3 TRP A 413 -43.343 7.401 19.374 1.00 0.00 H +ATOM 4407 HZ2 TRP A 413 -43.195 9.286 23.984 1.00 0.00 H +ATOM 4408 HZ3 TRP A 413 -41.169 7.799 20.507 1.00 0.00 H +ATOM 4409 HH2 TRP A 413 -41.098 8.728 22.762 1.00 0.00 H +ATOM 4410 N GLN A 414 -47.783 8.265 16.416 1.00 17.33 N +ATOM 4411 CA GLN A 414 -47.944 7.999 15.002 1.00 17.30 C +ATOM 4412 C GLN A 414 -47.316 9.123 14.169 1.00 13.55 C +ATOM 4413 O GLN A 414 -46.792 8.859 13.083 1.00 14.87 O +ATOM 4414 CB GLN A 414 -49.429 7.811 14.648 1.00 19.40 C +ATOM 4415 CG GLN A 414 -49.691 7.346 13.210 1.00 22.68 C +ATOM 4416 CD GLN A 414 -48.975 6.041 12.809 1.00 34.77 C +ATOM 4417 NE2 GLN A 414 -48.729 5.154 13.784 1.00 38.64 N +ATOM 4418 OE1 GLN A 414 -48.649 5.841 11.627 1.00 40.16 O +ATOM 4419 H GLN A 414 -48.595 8.474 16.979 1.00 0.00 H +ATOM 4420 HA GLN A 414 -47.420 7.072 14.770 1.00 0.00 H +ATOM 4421 HB2 GLN A 414 -49.879 7.103 15.344 1.00 0.00 H +ATOM 4422 HB3 GLN A 414 -49.964 8.743 14.829 1.00 0.00 H +ATOM 4423 HG2 GLN A 414 -50.764 7.230 13.058 1.00 0.00 H +ATOM 4424 HG3 GLN A 414 -49.409 8.139 12.517 1.00 0.00 H +ATOM 4425 HE21 GLN A 414 -49.011 5.355 14.733 1.00 0.00 H +ATOM 4426 HE22 GLN A 414 -48.262 4.284 13.570 1.00 0.00 H +ATOM 4427 N HID A 415 -47.366 10.357 14.650 1.00 16.29 N +ATOM 4428 CA HID A 415 -46.719 11.483 13.959 1.00 14.10 C +ATOM 4429 C HID A 415 -45.191 11.367 13.985 1.00 13.66 C +ATOM 4430 O HID A 415 -44.529 11.705 13.004 1.00 14.43 O +ATOM 4431 CB HID A 415 -47.166 12.843 14.498 1.00 16.50 C +ATOM 4432 CG HID A 415 -48.619 13.142 14.263 1.00 19.61 C +ATOM 4433 CD2 HID A 415 -49.586 12.447 13.614 1.00 24.41 C +ATOM 4434 ND1 HID A 415 -49.218 14.285 14.738 1.00 27.44 N +ATOM 4435 CE1 HID A 415 -50.496 14.284 14.398 1.00 28.55 C +ATOM 4436 NE2 HID A 415 -50.744 13.183 13.712 1.00 30.57 N +ATOM 4437 H HID A 415 -47.858 10.543 15.512 1.00 0.00 H +ATOM 4438 HA HID A 415 -47.026 11.436 12.914 1.00 0.00 H +ATOM 4439 HB2 HID A 415 -46.954 12.896 15.566 1.00 0.00 H +ATOM 4440 HB3 HID A 415 -46.558 13.628 14.048 1.00 0.00 H +ATOM 4441 HD1 HID A 415 -48.676 14.961 15.257 1.00 0.00 H +ATOM 4442 HD2 HID A 415 -49.351 11.501 13.149 1.00 0.00 H +ATOM 4443 HE1 HID A 415 -51.133 15.105 14.691 1.00 0.00 H +ATOM 4444 N VAL A 416 -44.653 10.844 15.081 1.00 14.56 N +ATOM 4445 CA VAL A 416 -43.210 10.573 15.176 1.00 14.13 C +ATOM 4446 C VAL A 416 -42.815 9.619 14.063 1.00 14.31 C +ATOM 4447 O VAL A 416 -41.933 9.906 13.267 1.00 11.05 O +ATOM 4448 CB VAL A 416 -42.862 9.949 16.538 1.00 10.69 C +ATOM 4449 CG1 VAL A 416 -41.387 9.490 16.576 1.00 12.87 C +ATOM 4450 CG2 VAL A 416 -43.198 10.916 17.672 1.00 15.20 C +ATOM 4451 H VAL A 416 -45.238 10.623 15.874 1.00 0.00 H +ATOM 4452 HA VAL A 416 -42.661 11.507 15.059 1.00 0.00 H +ATOM 4453 HB VAL A 416 -43.486 9.064 16.664 1.00 0.00 H +ATOM 4454 HG11 VAL A 416 -41.167 9.053 17.550 1.00 0.00 H +ATOM 4455 HG12 VAL A 416 -41.217 8.746 15.797 1.00 0.00 H +ATOM 4456 HG13 VAL A 416 -40.735 10.347 16.408 1.00 0.00 H +ATOM 4457 HG21 VAL A 416 -42.945 10.458 18.628 1.00 0.00 H +ATOM 4458 HG22 VAL A 416 -42.626 11.835 17.548 1.00 0.00 H +ATOM 4459 HG23 VAL A 416 -44.263 11.146 17.650 1.00 0.00 H +ATOM 4460 N TYR A 417 -43.515 8.491 13.975 1.00 11.40 N +ATOM 4461 CA TYR A 417 -43.264 7.490 12.952 1.00 12.91 C +ATOM 4462 C TYR A 417 -43.302 8.060 11.534 1.00 10.82 C +ATOM 4463 O TYR A 417 -42.460 7.713 10.706 1.00 13.86 O +ATOM 4464 CB TYR A 417 -44.276 6.349 13.079 1.00 13.61 C +ATOM 4465 CG TYR A 417 -44.009 5.235 12.091 1.00 12.86 C +ATOM 4466 CD1 TYR A 417 -43.121 4.197 12.403 1.00 16.75 C +ATOM 4467 CD2 TYR A 417 -44.608 5.226 10.820 1.00 14.99 C +ATOM 4468 CE1 TYR A 417 -42.838 3.180 11.500 1.00 13.99 C +ATOM 4469 CE2 TYR A 417 -44.333 4.211 9.907 1.00 19.46 C +ATOM 4470 CZ TYR A 417 -43.438 3.180 10.259 1.00 16.41 C +ATOM 4471 OH TYR A 417 -43.148 2.154 9.395 1.00 19.72 O +ATOM 4472 H TYR A 417 -44.255 8.303 14.636 1.00 0.00 H +ATOM 4473 HA TYR A 417 -42.269 7.078 13.122 1.00 0.00 H +ATOM 4474 HB2 TYR A 417 -44.246 5.949 14.093 1.00 0.00 H +ATOM 4475 HB3 TYR A 417 -45.282 6.738 12.923 1.00 0.00 H +ATOM 4476 HD1 TYR A 417 -42.636 4.173 13.368 1.00 0.00 H +ATOM 4477 HD2 TYR A 417 -45.292 6.013 10.540 1.00 0.00 H +ATOM 4478 HE1 TYR A 417 -42.150 2.393 11.771 1.00 0.00 H +ATOM 4479 HE2 TYR A 417 -44.804 4.216 8.935 1.00 0.00 H +ATOM 4480 HH TYR A 417 -43.631 2.279 8.575 1.00 0.00 H +ATOM 4481 N GLU A 418 -44.241 8.965 11.288 1.00 13.77 N +ATOM 4482 CA GLU A 418 -44.487 9.530 9.967 1.00 13.79 C +ATOM 4483 C GLU A 418 -43.576 10.730 9.659 1.00 14.72 C +ATOM 4484 O GLU A 418 -43.712 11.379 8.605 1.00 13.65 O +ATOM 4485 CB GLU A 418 -45.963 9.937 9.844 1.00 16.46 C +ATOM 4486 CG GLU A 418 -46.908 8.721 9.828 1.00 17.60 C +ATOM 4487 CD GLU A 418 -48.369 9.064 10.028 1.00 24.74 C +ATOM 4488 OE1 GLU A 418 -48.685 10.222 10.369 1.00 34.31 O +ATOM 4489 OE2 GLU A 418 -49.203 8.146 9.868 1.00 29.92 O1- +ATOM 4490 H GLU A 418 -44.831 9.297 12.038 1.00 0.00 H +ATOM 4491 HA GLU A 418 -44.287 8.756 9.226 1.00 0.00 H +ATOM 4492 HB2 GLU A 418 -46.229 10.592 10.674 1.00 0.00 H +ATOM 4493 HB3 GLU A 418 -46.104 10.518 8.932 1.00 0.00 H +ATOM 4494 HG2 GLU A 418 -46.789 8.183 8.887 1.00 0.00 H +ATOM 4495 HG3 GLU A 418 -46.596 8.011 10.594 1.00 0.00 H +ATOM 4496 N LYS A 419 -42.646 11.021 10.566 1.00 12.84 N +ATOM 4497 CA LYS A 419 -41.670 12.118 10.402 1.00 14.06 C +ATOM 4498 C LYS A 419 -42.363 13.478 10.284 1.00 15.49 C +ATOM 4499 O LYS A 419 -41.880 14.394 9.611 1.00 16.67 O +ATOM 4500 CB LYS A 419 -40.685 11.855 9.247 1.00 16.85 C +ATOM 4501 CG LYS A 419 -39.858 10.585 9.466 1.00 17.37 C +ATOM 4502 CD LYS A 419 -38.665 10.452 8.566 1.00 19.11 C +ATOM 4503 CE LYS A 419 -39.002 10.470 7.122 1.00 20.58 C +ATOM 4504 NZ LYS A 419 -37.769 10.259 6.294 1.00 28.33 N1+ +ATOM 4505 H LYS A 419 -42.584 10.480 11.417 1.00 0.00 H +ATOM 4506 HA LYS A 419 -41.078 12.148 11.317 1.00 0.00 H +ATOM 4507 HB2 LYS A 419 -41.238 11.771 8.311 1.00 0.00 H +ATOM 4508 HB3 LYS A 419 -40.016 12.709 9.140 1.00 0.00 H +ATOM 4509 HG2 LYS A 419 -39.533 10.541 10.505 1.00 0.00 H +ATOM 4510 HG3 LYS A 419 -40.499 9.712 9.347 1.00 0.00 H +ATOM 4511 HD2 LYS A 419 -37.958 11.253 8.782 1.00 0.00 H +ATOM 4512 HD3 LYS A 419 -38.135 9.529 8.802 1.00 0.00 H +ATOM 4513 HE2 LYS A 419 -39.723 9.681 6.908 1.00 0.00 H +ATOM 4514 HE3 LYS A 419 -39.451 11.430 6.866 1.00 0.00 H +ATOM 4515 HZ1 LYS A 419 -38.014 10.274 5.314 1.00 0.00 H +ATOM 4516 HZ2 LYS A 419 -37.104 10.995 6.485 1.00 0.00 H +ATOM 4517 HZ3 LYS A 419 -37.357 9.366 6.524 1.00 0.00 H +ATOM 4518 N LYS A 420 -43.477 13.606 10.989 1.00 14.19 N +ATOM 4519 CA LYS A 420 -44.265 14.832 10.998 1.00 15.53 C +ATOM 4520 C LYS A 420 -43.828 15.814 12.091 1.00 17.69 C +ATOM 4521 O LYS A 420 -44.338 16.930 12.152 1.00 19.88 O +ATOM 4522 CB LYS A 420 -45.763 14.518 11.117 1.00 15.83 C +ATOM 4523 CG LYS A 420 -46.357 13.982 9.851 1.00 18.25 C +ATOM 4524 CD LYS A 420 -47.789 13.579 10.059 1.00 22.61 C +ATOM 4525 CE LYS A 420 -48.420 13.153 8.747 1.00 27.55 C +ATOM 4526 NZ LYS A 420 -49.778 12.632 8.978 1.00 37.56 N1+ +ATOM 4527 H LYS A 420 -43.811 12.835 11.550 1.00 0.00 H +ATOM 4528 HA LYS A 420 -44.111 15.325 10.038 1.00 0.00 H +ATOM 4529 HB2 LYS A 420 -45.919 13.800 11.922 1.00 0.00 H +ATOM 4530 HB3 LYS A 420 -46.299 15.419 11.415 1.00 0.00 H +ATOM 4531 HG2 LYS A 420 -46.304 14.744 9.074 1.00 0.00 H +ATOM 4532 HG3 LYS A 420 -45.782 13.118 9.517 1.00 0.00 H +ATOM 4533 HD2 LYS A 420 -47.834 12.753 10.769 1.00 0.00 H +ATOM 4534 HD3 LYS A 420 -48.346 14.419 10.474 1.00 0.00 H +ATOM 4535 HE2 LYS A 420 -48.469 14.008 8.073 1.00 0.00 H +ATOM 4536 HE3 LYS A 420 -47.808 12.379 8.284 1.00 0.00 H +ATOM 4537 HZ1 LYS A 420 -50.186 12.352 8.097 1.00 0.00 H +ATOM 4538 HZ2 LYS A 420 -49.733 11.834 9.596 1.00 0.00 H +ATOM 4539 HZ3 LYS A 420 -50.348 13.352 9.399 1.00 0.00 H +ATOM 4540 N LEU A 421 -42.884 15.425 12.947 1.00 17.83 N +ATOM 4541 CA LEU A 421 -42.266 16.410 13.825 1.00 19.56 C +ATOM 4542 C LEU A 421 -41.100 17.061 13.087 1.00 16.25 C +ATOM 4543 O LEU A 421 -40.278 16.386 12.471 1.00 17.67 O +ATOM 4544 CB LEU A 421 -41.802 15.806 15.156 1.00 21.13 C +ATOM 4545 CG LEU A 421 -42.808 14.998 15.994 1.00 28.52 C +ATOM 4546 CD1 LEU A 421 -42.308 14.876 17.424 1.00 30.16 C +ATOM 4547 CD2 LEU A 421 -44.210 15.549 15.985 1.00 34.30 C +ATOM 4548 H LEU A 421 -42.603 14.455 12.983 1.00 0.00 H +ATOM 4549 HA LEU A 421 -43.004 17.182 14.042 1.00 0.00 H +ATOM 4550 HB2 LEU A 421 -40.915 15.197 14.981 1.00 0.00 H +ATOM 4551 HB3 LEU A 421 -41.375 16.595 15.775 1.00 0.00 H +ATOM 4552 HG LEU A 421 -42.849 13.993 15.575 1.00 0.00 H +ATOM 4553 HD11 LEU A 421 -43.025 14.303 18.012 1.00 0.00 H +ATOM 4554 HD12 LEU A 421 -41.344 14.367 17.430 1.00 0.00 H +ATOM 4555 HD13 LEU A 421 -42.196 15.870 17.856 1.00 0.00 H +ATOM 4556 HD21 LEU A 421 -44.852 14.919 16.600 1.00 0.00 H +ATOM 4557 HD22 LEU A 421 -44.205 16.563 16.385 1.00 0.00 H +ATOM 4558 HD23 LEU A 421 -44.588 15.564 14.963 1.00 0.00 H +ATOM 4559 N SER A 422 -41.054 18.381 13.153 1.00 15.58 N +ATOM 4560 CA SER A 422 -40.003 19.158 12.541 1.00 13.18 C +ATOM 4561 C SER A 422 -38.708 19.045 13.356 1.00 13.24 C +ATOM 4562 O SER A 422 -38.679 19.400 14.520 1.00 16.99 O +ATOM 4563 CB SER A 422 -40.437 20.620 12.415 1.00 16.49 C +ATOM 4564 OG SER A 422 -41.380 20.777 11.366 1.00 20.45 O +ATOM 4565 H SER A 422 -41.775 18.887 13.648 1.00 0.00 H +ATOM 4566 HA SER A 422 -39.819 18.764 11.541 1.00 0.00 H +ATOM 4567 HB2 SER A 422 -40.881 20.949 13.354 1.00 0.00 H +ATOM 4568 HB3 SER A 422 -39.564 21.242 12.215 1.00 0.00 H +ATOM 4569 HG SER A 422 -41.639 21.699 11.303 1.00 0.00 H +ATOM 4570 N PRO A 423 -37.635 18.522 12.750 1.00 13.98 N +ATOM 4571 CA PRO A 423 -36.404 18.458 13.525 1.00 14.18 C +ATOM 4572 C PRO A 423 -35.919 19.839 13.961 1.00 15.78 C +ATOM 4573 O PRO A 423 -35.977 20.791 13.192 1.00 18.25 O +ATOM 4574 CB PRO A 423 -35.406 17.841 12.557 1.00 14.29 C +ATOM 4575 CG PRO A 423 -36.239 17.139 11.537 1.00 15.78 C +ATOM 4576 CD PRO A 423 -37.470 17.963 11.401 1.00 16.01 C +ATOM 4577 HA PRO A 423 -36.537 17.813 14.393 1.00 0.00 H +ATOM 4578 HB2 PRO A 423 -34.834 18.633 12.074 1.00 0.00 H +ATOM 4579 HB3 PRO A 423 -34.792 17.112 13.086 1.00 0.00 H +ATOM 4580 HG2 PRO A 423 -35.708 17.123 10.585 1.00 0.00 H +ATOM 4581 HG3 PRO A 423 -36.506 16.149 11.907 1.00 0.00 H +ATOM 4582 HD2 PRO A 423 -37.284 18.774 10.697 1.00 0.00 H +ATOM 4583 HD3 PRO A 423 -38.315 17.312 11.176 1.00 0.00 H +ATOM 4584 N PRO A 424 -35.418 19.939 15.193 1.00 17.79 N +ATOM 4585 CA PRO A 424 -34.970 21.212 15.733 1.00 19.12 C +ATOM 4586 C PRO A 424 -33.652 21.679 15.117 1.00 18.87 C +ATOM 4587 O PRO A 424 -33.387 22.883 15.089 1.00 21.97 O +ATOM 4588 CB PRO A 424 -34.823 20.910 17.225 1.00 23.26 C +ATOM 4589 CG PRO A 424 -34.443 19.466 17.251 1.00 24.29 C +ATOM 4590 CD PRO A 424 -35.240 18.838 16.154 1.00 22.27 C +ATOM 4591 HA PRO A 424 -35.739 21.970 15.582 1.00 0.00 H +ATOM 4592 HB2 PRO A 424 -34.006 21.505 17.634 1.00 0.00 H +ATOM 4593 HB3 PRO A 424 -35.788 21.037 17.715 1.00 0.00 H +ATOM 4594 HG2 PRO A 424 -33.381 19.368 17.028 1.00 0.00 H +ATOM 4595 HG3 PRO A 424 -34.738 19.032 18.206 1.00 0.00 H +ATOM 4596 HD2 PRO A 424 -34.652 18.047 15.690 1.00 0.00 H +ATOM 4597 HD3 PRO A 424 -36.213 18.539 16.542 1.00 0.00 H +ATOM 4598 N PHE A 425 -32.855 20.747 14.598 1.00 16.28 N +ATOM 4599 CA PHE A 425 -31.633 21.068 13.857 1.00 14.86 C +ATOM 4600 C PHE A 425 -31.695 20.480 12.452 1.00 13.04 C +ATOM 4601 O PHE A 425 -31.826 19.278 12.283 1.00 12.54 O +ATOM 4602 CB PHE A 425 -30.402 20.533 14.605 1.00 15.46 C +ATOM 4603 CG PHE A 425 -29.143 20.529 13.781 1.00 18.56 C +ATOM 4604 CD1 PHE A 425 -28.444 21.720 13.525 1.00 19.88 C +ATOM 4605 CD2 PHE A 425 -28.630 19.347 13.281 1.00 20.75 C +ATOM 4606 CE1 PHE A 425 -27.284 21.714 12.765 1.00 20.33 C +ATOM 4607 CE2 PHE A 425 -27.462 19.341 12.521 1.00 21.33 C +ATOM 4608 CZ PHE A 425 -26.792 20.524 12.268 1.00 18.52 C +ATOM 4609 H PHE A 425 -33.083 19.769 14.708 1.00 0.00 H +ATOM 4610 HA PHE A 425 -31.548 22.152 13.778 1.00 0.00 H +ATOM 4611 HB2 PHE A 425 -30.242 21.124 15.507 1.00 0.00 H +ATOM 4612 HB3 PHE A 425 -30.605 19.522 14.959 1.00 0.00 H +ATOM 4613 HD1 PHE A 425 -28.809 22.656 13.922 1.00 0.00 H +ATOM 4614 HD2 PHE A 425 -29.135 18.413 13.478 1.00 0.00 H +ATOM 4615 HE1 PHE A 425 -26.766 22.640 12.562 1.00 0.00 H +ATOM 4616 HE2 PHE A 425 -27.078 18.411 12.128 1.00 0.00 H +ATOM 4617 HZ PHE A 425 -25.885 20.517 11.682 1.00 0.00 H +ATOM 4618 N LYS A 426 -31.613 21.354 11.453 1.00 11.94 N +ATOM 4619 CA LYS A 426 -31.580 20.955 10.053 1.00 13.88 C +ATOM 4620 C LYS A 426 -30.139 21.040 9.551 1.00 16.80 C +ATOM 4621 O LYS A 426 -29.581 22.131 9.489 1.00 18.55 O +ATOM 4622 CB LYS A 426 -32.498 21.848 9.202 1.00 18.46 C +ATOM 4623 CG LYS A 426 -33.975 21.929 9.666 1.00 18.61 C +ATOM 4624 CD LYS A 426 -34.783 20.639 9.501 1.00 17.31 C +ATOM 4625 CE LYS A 426 -35.116 20.332 8.057 1.00 19.28 C +ATOM 4626 NZ LYS A 426 -35.979 19.140 7.863 1.00 20.41 N1+ +ATOM 4627 H LYS A 426 -31.571 22.344 11.650 1.00 0.00 H +ATOM 4628 HA LYS A 426 -31.920 19.923 9.973 1.00 0.00 H +ATOM 4629 HB2 LYS A 426 -32.080 22.853 9.156 1.00 0.00 H +ATOM 4630 HB3 LYS A 426 -32.464 21.514 8.165 1.00 0.00 H +ATOM 4631 HG2 LYS A 426 -34.008 22.244 10.709 1.00 0.00 H +ATOM 4632 HG3 LYS A 426 -34.476 22.738 9.135 1.00 0.00 H +ATOM 4633 HD2 LYS A 426 -34.226 19.806 9.929 1.00 0.00 H +ATOM 4634 HD3 LYS A 426 -35.705 20.713 10.077 1.00 0.00 H +ATOM 4635 HE2 LYS A 426 -35.593 21.201 7.604 1.00 0.00 H +ATOM 4636 HE3 LYS A 426 -34.192 20.204 7.493 1.00 0.00 H +ATOM 4637 HZ1 LYS A 426 -36.152 19.006 6.877 1.00 0.00 H +ATOM 4638 HZ2 LYS A 426 -35.516 18.324 8.237 1.00 0.00 H +ATOM 4639 HZ3 LYS A 426 -36.857 19.278 8.343 1.00 0.00 H +ATOM 4640 N PRO A 427 -29.521 19.885 9.218 1.00 15.85 N +ATOM 4641 CA PRO A 427 -28.171 19.877 8.641 1.00 15.14 C +ATOM 4642 C PRO A 427 -28.048 20.790 7.410 1.00 15.10 C +ATOM 4643 O PRO A 427 -28.902 20.746 6.527 1.00 17.91 O +ATOM 4644 CB PRO A 427 -27.958 18.406 8.265 1.00 16.16 C +ATOM 4645 CG PRO A 427 -28.858 17.648 9.172 1.00 14.21 C +ATOM 4646 CD PRO A 427 -30.065 18.520 9.381 1.00 14.39 C +ATOM 4647 HA PRO A 427 -27.444 20.175 9.397 1.00 0.00 H +ATOM 4648 HB2 PRO A 427 -28.269 18.248 7.232 1.00 0.00 H +ATOM 4649 HB3 PRO A 427 -26.924 18.128 8.467 1.00 0.00 H +ATOM 4650 HG2 PRO A 427 -29.161 16.720 8.688 1.00 0.00 H +ATOM 4651 HG3 PRO A 427 -28.358 17.487 10.127 1.00 0.00 H +ATOM 4652 HD2 PRO A 427 -30.790 18.325 8.591 1.00 0.00 H +ATOM 4653 HD3 PRO A 427 -30.426 18.396 10.402 1.00 0.00 H +ATOM 4654 N GLN A 428 -27.042 21.657 7.409 1.00 16.94 N +ATOM 4655 CA GLN A 428 -26.838 22.621 6.318 1.00 19.04 C +ATOM 4656 C GLN A 428 -25.783 22.124 5.352 1.00 21.16 C +ATOM 4657 O GLN A 428 -24.739 22.735 5.168 1.00 21.35 O +ATOM 4658 CB GLN A 428 -26.475 24.000 6.877 1.00 20.88 C +ATOM 4659 CG GLN A 428 -27.612 24.650 7.703 1.00 24.70 C +ATOM 4660 CD GLN A 428 -28.919 24.765 6.933 1.00 33.98 C +ATOM 4661 NE2 GLN A 428 -28.881 25.479 5.814 1.00 35.00 N +ATOM 4662 OE1 GLN A 428 -29.952 24.205 7.332 1.00 32.72 O +ATOM 4663 H GLN A 428 -26.385 21.669 8.176 1.00 0.00 H +ATOM 4664 HA GLN A 428 -27.777 22.715 5.772 1.00 0.00 H +ATOM 4665 HB2 GLN A 428 -25.581 23.916 7.495 1.00 0.00 H +ATOM 4666 HB3 GLN A 428 -26.200 24.662 6.056 1.00 0.00 H +ATOM 4667 HG2 GLN A 428 -27.777 24.070 8.611 1.00 0.00 H +ATOM 4668 HG3 GLN A 428 -27.299 25.640 8.034 1.00 0.00 H +ATOM 4669 HE21 GLN A 428 -28.016 25.909 5.518 1.00 0.00 H +ATOM 4670 HE22 GLN A 428 -29.717 25.592 5.259 1.00 0.00 H +ATOM 4671 N VAL A 429 -26.071 20.998 4.728 1.00 20.06 N +ATOM 4672 CA VAL A 429 -25.194 20.464 3.695 1.00 19.89 C +ATOM 4673 C VAL A 429 -25.537 21.126 2.366 1.00 21.27 C +ATOM 4674 O VAL A 429 -26.701 21.375 2.068 1.00 24.99 O +ATOM 4675 CB VAL A 429 -25.250 18.940 3.594 1.00 17.61 C +ATOM 4676 CG1 VAL A 429 -24.479 18.315 4.771 1.00 21.05 C +ATOM 4677 CG2 VAL A 429 -26.698 18.430 3.540 1.00 18.42 C +ATOM 4678 H VAL A 429 -26.912 20.491 4.964 1.00 0.00 H +ATOM 4679 HA VAL A 429 -24.172 20.743 3.951 1.00 0.00 H +ATOM 4680 HB VAL A 429 -24.753 18.644 2.670 1.00 0.00 H +ATOM 4681 HG11 VAL A 429 -24.520 17.228 4.697 1.00 0.00 H +ATOM 4682 HG12 VAL A 429 -23.440 18.642 4.739 1.00 0.00 H +ATOM 4683 HG13 VAL A 429 -24.931 18.632 5.711 1.00 0.00 H +ATOM 4684 HG21 VAL A 429 -26.698 17.342 3.468 1.00 0.00 H +ATOM 4685 HG22 VAL A 429 -27.225 18.734 4.444 1.00 0.00 H +ATOM 4686 HG23 VAL A 429 -27.200 18.851 2.669 1.00 0.00 H +ATOM 4687 N THR A 430 -24.505 21.424 1.593 1.00 21.24 N +ATOM 4688 CA THR A 430 -24.638 22.188 0.362 1.00 24.63 C +ATOM 4689 C THR A 430 -24.695 21.282 -0.858 1.00 24.14 C +ATOM 4690 O THR A 430 -25.107 21.686 -1.953 1.00 25.68 O +ATOM 4691 CB THR A 430 -23.496 23.191 0.237 1.00 23.27 C +ATOM 4692 CG2 THR A 430 -23.575 24.179 1.372 1.00 29.55 C +ATOM 4693 OG1 THR A 430 -22.239 22.504 0.276 1.00 29.18 O +ATOM 4694 H THR A 430 -23.577 21.118 1.849 1.00 0.00 H +ATOM 4695 HA THR A 430 -25.573 22.746 0.411 1.00 0.00 H +ATOM 4696 HB THR A 430 -23.586 23.723 -0.710 1.00 0.00 H +ATOM 4697 HG1 THR A 430 -21.524 23.140 0.197 1.00 0.00 H +ATOM 4698 HG21 THR A 430 -22.760 24.898 1.286 1.00 0.00 H +ATOM 4699 HG22 THR A 430 -24.529 24.705 1.331 1.00 0.00 H +ATOM 4700 HG23 THR A 430 -23.493 23.650 2.321 1.00 0.00 H +ATOM 4701 N SER A 431 -24.299 20.037 -0.669 1.00 20.87 N +ATOM 4702 CA SER A 431 -24.370 19.064 -1.727 1.00 22.07 C +ATOM 4703 C SER A 431 -24.438 17.680 -1.138 1.00 23.68 C +ATOM 4704 O SER A 431 -24.187 17.457 0.063 1.00 16.83 O +ATOM 4705 CB SER A 431 -23.164 19.156 -2.657 1.00 24.01 C +ATOM 4706 OG SER A 431 -22.045 18.494 -2.103 1.00 21.86 O +ATOM 4707 H SER A 431 -23.938 19.753 0.231 1.00 0.00 H +ATOM 4708 HA SER A 431 -25.275 19.243 -2.308 1.00 0.00 H +ATOM 4709 HB2 SER A 431 -23.412 18.707 -3.619 1.00 0.00 H +ATOM 4710 HB3 SER A 431 -22.917 20.204 -2.829 1.00 0.00 H +ATOM 4711 HG SER A 431 -21.300 18.565 -2.705 1.00 0.00 H +ATOM 4712 N GLU A 432 -24.747 16.750 -2.025 1.00 24.70 N +ATOM 4713 CA GLU A 432 -24.893 15.359 -1.680 1.00 27.66 C +ATOM 4714 C GLU A 432 -23.574 14.772 -1.191 1.00 25.33 C +ATOM 4715 O GLU A 432 -23.593 13.708 -0.574 1.00 32.51 O +ATOM 4716 CB GLU A 432 -25.476 14.568 -2.878 1.00 30.19 C +ATOM 4717 CG GLU A 432 -26.836 15.143 -3.406 1.00 36.28 C +ATOM 4718 CD GLU A 432 -27.370 14.498 -4.701 1.00 37.36 C +ATOM 4719 OE1 GLU A 432 -27.213 15.099 -5.792 1.00 31.91 O +ATOM 4720 OE2 GLU A 432 -27.979 13.408 -4.615 1.00 38.37 O1- +ATOM 4721 H GLU A 432 -24.892 17.003 -2.992 1.00 0.00 H +ATOM 4722 HA GLU A 432 -25.609 15.294 -0.860 1.00 0.00 H +ATOM 4723 HB2 GLU A 432 -24.749 14.554 -3.690 1.00 0.00 H +ATOM 4724 HB3 GLU A 432 -25.611 13.525 -2.591 1.00 0.00 H +ATOM 4725 HG2 GLU A 432 -27.591 15.059 -2.624 1.00 0.00 H +ATOM 4726 HG3 GLU A 432 -26.739 16.219 -3.553 1.00 0.00 H +ATOM 4727 N THR A 433 -22.445 15.466 -1.445 1.00 21.67 N +ATOM 4728 CA THR A 433 -21.095 15.026 -1.031 1.00 23.71 C +ATOM 4729 C THR A 433 -20.443 15.859 0.087 1.00 22.08 C +ATOM 4730 O THR A 433 -19.295 15.616 0.456 1.00 24.87 O +ATOM 4731 CB THR A 433 -20.084 14.975 -2.210 1.00 26.41 C +ATOM 4732 CG2 THR A 433 -20.591 14.080 -3.315 1.00 30.10 C +ATOM 4733 OG1 THR A 433 -19.835 16.295 -2.716 1.00 23.91 O +ATOM 4734 H THR A 433 -22.492 16.342 -1.946 1.00 0.00 H +ATOM 4735 HA THR A 433 -21.194 14.009 -0.653 1.00 0.00 H +ATOM 4736 HB THR A 433 -19.144 14.566 -1.840 1.00 0.00 H +ATOM 4737 HG1 THR A 433 -19.210 16.247 -3.443 1.00 0.00 H +ATOM 4738 HG21 THR A 433 -19.866 14.060 -4.129 1.00 0.00 H +ATOM 4739 HG22 THR A 433 -20.731 13.070 -2.930 1.00 0.00 H +ATOM 4740 HG23 THR A 433 -21.542 14.462 -3.685 1.00 0.00 H +ATOM 4741 N ASP A 434 -21.165 16.838 0.616 1.00 18.65 N +ATOM 4742 CA ASP A 434 -20.681 17.678 1.701 1.00 17.98 C +ATOM 4743 C ASP A 434 -20.508 16.855 3.000 1.00 17.36 C +ATOM 4744 O ASP A 434 -21.480 16.271 3.481 1.00 19.48 O +ATOM 4745 CB ASP A 434 -21.683 18.828 1.899 1.00 19.98 C +ATOM 4746 CG ASP A 434 -21.258 19.839 2.952 1.00 18.70 C +ATOM 4747 OD1 ASP A 434 -20.259 19.617 3.671 1.00 17.13 O +ATOM 4748 OD2 ASP A 434 -21.971 20.867 3.084 1.00 18.66 O1- +ATOM 4749 H ASP A 434 -22.094 17.026 0.266 1.00 0.00 H +ATOM 4750 HA ASP A 434 -19.715 18.097 1.418 1.00 0.00 H +ATOM 4751 HB2 ASP A 434 -21.839 19.339 0.949 1.00 0.00 H +ATOM 4752 HB3 ASP A 434 -22.657 18.417 2.165 1.00 0.00 H +ATOM 4753 N THR A 435 -19.277 16.764 3.514 1.00 12.93 N +ATOM 4754 CA THR A 435 -18.960 15.965 4.720 1.00 13.73 C +ATOM 4755 C THR A 435 -18.631 16.832 5.935 1.00 13.52 C +ATOM 4756 O THR A 435 -17.903 16.401 6.840 1.00 13.68 O +ATOM 4757 CB THR A 435 -17.824 14.935 4.457 1.00 14.45 C +ATOM 4758 CG2 THR A 435 -18.226 13.924 3.425 1.00 14.23 C +ATOM 4759 OG1 THR A 435 -16.655 15.612 3.991 1.00 15.70 O +ATOM 4760 H THR A 435 -18.510 17.254 3.077 1.00 0.00 H +ATOM 4761 HA THR A 435 -19.855 15.395 4.969 1.00 0.00 H +ATOM 4762 HB THR A 435 -17.589 14.419 5.388 1.00 0.00 H +ATOM 4763 HG1 THR A 435 -15.957 14.973 3.830 1.00 0.00 H +ATOM 4764 HG21 THR A 435 -17.408 13.221 3.267 1.00 0.00 H +ATOM 4765 HG22 THR A 435 -19.108 13.384 3.769 1.00 0.00 H +ATOM 4766 HG23 THR A 435 -18.454 14.432 2.488 1.00 0.00 H +ATOM 4767 N ARG A 436 -19.193 18.038 5.989 1.00 12.05 N +ATOM 4768 CA ARG A 436 -18.895 18.972 7.094 1.00 11.92 C +ATOM 4769 C ARG A 436 -19.254 18.463 8.490 1.00 12.20 C +ATOM 4770 O ARG A 436 -18.722 18.938 9.483 1.00 15.83 O +ATOM 4771 CB ARG A 436 -19.569 20.331 6.896 1.00 13.37 C +ATOM 4772 CG ARG A 436 -21.093 20.282 6.998 1.00 13.44 C +ATOM 4773 CD ARG A 436 -21.754 21.653 6.778 1.00 18.85 C +ATOM 4774 NE ARG A 436 -21.444 22.159 5.445 1.00 19.79 N +ATOM 4775 CZ ARG A 436 -21.602 23.418 5.048 1.00 33.99 C +ATOM 4776 NH1 ARG A 436 -22.094 24.342 5.878 1.00 38.60 N1+ +ATOM 4777 NH2 ARG A 436 -21.277 23.753 3.804 1.00 34.49 N1+ +ATOM 4778 H ARG A 436 -19.836 18.328 5.266 1.00 0.00 H +ATOM 4779 HA ARG A 436 -17.819 19.145 7.084 1.00 0.00 H +ATOM 4780 HB2 ARG A 436 -19.180 21.038 7.629 1.00 0.00 H +ATOM 4781 HB3 ARG A 436 -19.284 20.738 5.926 1.00 0.00 H +ATOM 4782 HG2 ARG A 436 -21.482 19.571 6.269 1.00 0.00 H +ATOM 4783 HG3 ARG A 436 -21.378 19.895 7.976 1.00 0.00 H +ATOM 4784 HD2 ARG A 436 -22.834 21.557 6.888 1.00 0.00 H +ATOM 4785 HD3 ARG A 436 -21.390 22.356 7.527 1.00 0.00 H +ATOM 4786 HE ARG A 436 -21.083 21.468 4.802 1.00 0.00 H +ATOM 4787 HH11 ARG A 436 -22.351 24.088 6.821 1.00 0.00 H +ATOM 4788 HH12 ARG A 436 -22.208 25.295 5.562 1.00 0.00 H +ATOM 4789 HH21 ARG A 436 -20.914 23.054 3.171 1.00 0.00 H +ATOM 4790 HH22 ARG A 436 -21.393 24.706 3.491 1.00 0.00 H +ATOM 4791 N TYR A 437 -20.175 17.501 8.560 1.00 12.69 N +ATOM 4792 CA TYR A 437 -20.573 16.908 9.850 1.00 11.46 C +ATOM 4793 C TYR A 437 -19.836 15.610 10.227 1.00 11.00 C +ATOM 4794 O TYR A 437 -20.300 14.845 11.088 1.00 12.46 O +ATOM 4795 CB TYR A 437 -22.089 16.716 9.903 1.00 10.28 C +ATOM 4796 CG TYR A 437 -22.835 18.029 9.730 1.00 13.72 C +ATOM 4797 CD1 TYR A 437 -22.639 19.096 10.622 1.00 17.10 C +ATOM 4798 CD2 TYR A 437 -23.697 18.221 8.668 1.00 12.42 C +ATOM 4799 CE1 TYR A 437 -23.334 20.315 10.470 1.00 15.17 C +ATOM 4800 CE2 TYR A 437 -24.397 19.425 8.508 1.00 15.74 C +ATOM 4801 CZ TYR A 437 -24.188 20.476 9.389 1.00 15.76 C +ATOM 4802 OH TYR A 437 -24.904 21.666 9.210 1.00 18.44 O +ATOM 4803 H TYR A 437 -20.617 17.163 7.717 1.00 0.00 H +ATOM 4804 HA TYR A 437 -20.325 17.640 10.618 1.00 0.00 H +ATOM 4805 HB2 TYR A 437 -22.394 16.020 9.121 1.00 0.00 H +ATOM 4806 HB3 TYR A 437 -22.364 16.266 10.857 1.00 0.00 H +ATOM 4807 HD1 TYR A 437 -21.946 18.993 11.444 1.00 0.00 H +ATOM 4808 HD2 TYR A 437 -23.842 17.435 7.941 1.00 0.00 H +ATOM 4809 HE1 TYR A 437 -23.197 21.108 11.190 1.00 0.00 H +ATOM 4810 HE2 TYR A 437 -25.101 19.536 7.697 1.00 0.00 H +ATOM 4811 HH TYR A 437 -25.440 21.601 8.416 1.00 0.00 H +ATOM 4812 N PHE A 438 -18.665 15.400 9.616 1.00 10.83 N +ATOM 4813 CA PHE A 438 -17.798 14.277 9.889 1.00 11.29 C +ATOM 4814 C PHE A 438 -16.430 14.805 10.299 1.00 12.94 C +ATOM 4815 O PHE A 438 -15.955 15.778 9.726 1.00 13.90 O +ATOM 4816 CB PHE A 438 -17.687 13.376 8.651 1.00 12.50 C +ATOM 4817 CG PHE A 438 -18.960 12.651 8.357 1.00 10.95 C +ATOM 4818 CD1 PHE A 438 -19.209 11.384 8.886 1.00 10.69 C +ATOM 4819 CD2 PHE A 438 -19.967 13.286 7.645 1.00 10.09 C +ATOM 4820 CE1 PHE A 438 -20.436 10.725 8.646 1.00 12.31 C +ATOM 4821 CE2 PHE A 438 -21.182 12.630 7.394 1.00 12.12 C +ATOM 4822 CZ PHE A 438 -21.412 11.358 7.909 1.00 15.10 C +ATOM 4823 H PHE A 438 -18.338 16.049 8.915 1.00 0.00 H +ATOM 4824 HA PHE A 438 -18.216 13.698 10.713 1.00 0.00 H +ATOM 4825 HB2 PHE A 438 -17.406 13.979 7.788 1.00 0.00 H +ATOM 4826 HB3 PHE A 438 -16.884 12.653 8.799 1.00 0.00 H +ATOM 4827 HD1 PHE A 438 -18.459 10.893 9.488 1.00 0.00 H +ATOM 4828 HD2 PHE A 438 -19.819 14.292 7.280 1.00 0.00 H +ATOM 4829 HE1 PHE A 438 -20.602 9.733 9.039 1.00 0.00 H +ATOM 4830 HE2 PHE A 438 -21.943 13.112 6.799 1.00 0.00 H +ATOM 4831 HZ PHE A 438 -22.357 10.867 7.730 1.00 0.00 H +ATOM 4832 N ASP A 439 -15.826 14.138 11.276 1.00 15.21 N +ATOM 4833 CA ASP A 439 -14.495 14.472 11.758 1.00 17.90 C +ATOM 4834 C ASP A 439 -13.466 14.474 10.625 1.00 16.77 C +ATOM 4835 O ASP A 439 -13.314 13.502 9.899 1.00 13.70 O +ATOM 4836 CB ASP A 439 -14.114 13.446 12.819 1.00 18.04 C +ATOM 4837 CG ASP A 439 -12.920 13.853 13.639 1.00 25.67 C +ATOM 4838 OD1 ASP A 439 -12.804 13.305 14.761 1.00 40.33 O +ATOM 4839 OD2 ASP A 439 -12.112 14.694 13.182 1.00 26.85 O1- +ATOM 4840 H ASP A 439 -16.292 13.360 11.720 1.00 0.00 H +ATOM 4841 HA ASP A 439 -14.521 15.461 12.215 1.00 0.00 H +ATOM 4842 HB2 ASP A 439 -14.965 13.275 13.479 1.00 0.00 H +ATOM 4843 HB3 ASP A 439 -13.914 12.487 12.340 1.00 0.00 H +ATOM 4844 N GLU A 440 -12.738 15.584 10.514 1.00 17.99 N +ATOM 4845 CA GLU A 440 -11.649 15.750 9.556 1.00 17.81 C +ATOM 4846 C GLU A 440 -10.546 14.694 9.700 1.00 15.56 C +ATOM 4847 O GLU A 440 -9.850 14.403 8.730 1.00 15.85 O +ATOM 4848 CB GLU A 440 -11.070 17.152 9.718 1.00 20.10 C +ATOM 4849 CG GLU A 440 -10.094 17.577 8.639 1.00 29.59 C +ATOM 4850 CD GLU A 440 -9.713 19.045 8.731 1.00 39.79 C +ATOM 4851 OE1 GLU A 440 -8.751 19.437 8.037 1.00 36.31 O +ATOM 4852 OE2 GLU A 440 -10.375 19.802 9.481 1.00 42.08 O1- +ATOM 4853 H GLU A 440 -12.927 16.374 11.114 1.00 0.00 H +ATOM 4854 HA GLU A 440 -12.066 15.670 8.552 1.00 0.00 H +ATOM 4855 HB2 GLU A 440 -11.885 17.874 9.772 1.00 0.00 H +ATOM 4856 HB3 GLU A 440 -10.588 17.232 10.692 1.00 0.00 H +ATOM 4857 HG2 GLU A 440 -9.194 16.965 8.703 1.00 0.00 H +ATOM 4858 HG3 GLU A 440 -10.527 17.376 7.659 1.00 0.00 H +ATOM 4859 N GLU A 441 -10.391 14.137 10.894 1.00 15.62 N +ATOM 4860 CA GLU A 441 -9.481 13.008 11.114 1.00 17.44 C +ATOM 4861 C GLU A 441 -9.722 11.883 10.107 1.00 17.23 C +ATOM 4862 O GLU A 441 -8.781 11.216 9.652 1.00 17.60 O +ATOM 4863 CB GLU A 441 -9.614 12.488 12.550 1.00 20.07 C +ATOM 4864 CG GLU A 441 -8.640 11.392 12.945 1.00 27.24 C +ATOM 4865 CD GLU A 441 -7.159 11.762 12.752 1.00 35.39 C +ATOM 4866 OE1 GLU A 441 -6.404 10.880 12.285 1.00 48.57 O +ATOM 4867 OE2 GLU A 441 -6.750 12.912 13.042 1.00 35.51 O1- +ATOM 4868 H GLU A 441 -10.908 14.489 11.687 1.00 0.00 H +ATOM 4869 HA GLU A 441 -8.461 13.367 10.979 1.00 0.00 H +ATOM 4870 HB2 GLU A 441 -9.518 13.322 13.245 1.00 0.00 H +ATOM 4871 HB3 GLU A 441 -10.634 12.139 12.714 1.00 0.00 H +ATOM 4872 HG2 GLU A 441 -8.810 11.115 13.985 1.00 0.00 H +ATOM 4873 HG3 GLU A 441 -8.863 10.489 12.378 1.00 0.00 H +ATOM 4874 N PHE A 442 -10.987 11.677 9.749 1.00 14.44 N +ATOM 4875 CA PHE A 442 -11.365 10.693 8.739 1.00 13.24 C +ATOM 4876 C PHE A 442 -11.417 11.272 7.333 1.00 9.88 C +ATOM 4877 O PHE A 442 -10.777 10.747 6.426 1.00 12.74 O +ATOM 4878 CB PHE A 442 -12.701 10.020 9.096 1.00 13.39 C +ATOM 4879 CG PHE A 442 -12.694 9.409 10.445 1.00 14.88 C +ATOM 4880 CD1 PHE A 442 -11.840 8.355 10.731 1.00 15.36 C +ATOM 4881 CD2 PHE A 442 -13.480 9.922 11.460 1.00 16.02 C +ATOM 4882 CE1 PHE A 442 -11.796 7.815 12.005 1.00 19.83 C +ATOM 4883 CE2 PHE A 442 -13.436 9.376 12.733 1.00 19.15 C +ATOM 4884 CZ PHE A 442 -12.585 8.328 12.998 1.00 19.70 C +ATOM 4885 H PHE A 442 -11.727 12.211 10.181 1.00 0.00 H +ATOM 4886 HA PHE A 442 -10.600 9.916 8.741 1.00 0.00 H +ATOM 4887 HB2 PHE A 442 -13.504 10.754 9.035 1.00 0.00 H +ATOM 4888 HB3 PHE A 442 -12.931 9.256 8.354 1.00 0.00 H +ATOM 4889 HD1 PHE A 442 -11.204 7.950 9.958 1.00 0.00 H +ATOM 4890 HD2 PHE A 442 -14.137 10.757 11.265 1.00 0.00 H +ATOM 4891 HE1 PHE A 442 -11.137 6.986 12.218 1.00 0.00 H +ATOM 4892 HE2 PHE A 442 -14.068 9.773 13.513 1.00 0.00 H +ATOM 4893 HZ PHE A 442 -12.541 7.910 13.993 1.00 0.00 H +ATOM 4894 N THR A 443 -12.169 12.357 7.119 1.00 12.79 N +ATOM 4895 CA THR A 443 -12.406 12.834 5.753 0.50 14.66 C +ATOM 4896 C THR A 443 -11.145 13.336 5.050 1.00 12.96 C +ATOM 4897 O THR A 443 -11.114 13.369 3.823 1.00 14.93 O +ATOM 4898 CB THR A 443 -13.507 13.901 5.688 0.50 14.95 C +ATOM 4899 CG2 THR A 443 -13.163 15.062 6.527 0.50 16.96 C +ATOM 4900 OG1 THR A 443 -13.655 14.346 4.334 0.50 26.57 O +ATOM 4901 H THR A 443 -12.576 12.851 7.900 1.00 0.00 H +ATOM 4902 HA THR A 443 -12.764 11.979 5.180 0.50 0.00 H +ATOM 4903 HB THR A 443 -14.448 13.472 6.033 0.50 0.00 H +ATOM 4904 HG1 THR A 443 -14.343 15.014 4.290 0.50 0.00 H +ATOM 4905 HG21 THR A 443 -13.958 15.805 6.464 0.50 0.00 H +ATOM 4906 HG22 THR A 443 -13.047 14.741 7.562 0.50 0.00 H +ATOM 4907 HG23 THR A 443 -12.229 15.501 6.176 0.50 0.00 H +ATOM 4908 N ALA A 444 -10.121 13.707 5.817 1.00 14.86 N +ATOM 4909 CA ALA A 444 -8.833 14.142 5.218 1.00 15.21 C +ATOM 4910 C ALA A 444 -7.980 13.004 4.659 1.00 17.90 C +ATOM 4911 O ALA A 444 -7.061 13.254 3.877 1.00 19.56 O +ATOM 4912 CB ALA A 444 -8.019 14.920 6.221 1.00 17.76 C +ATOM 4913 H ALA A 444 -10.213 13.695 6.823 1.00 0.00 H +ATOM 4914 HA ALA A 444 -9.066 14.814 4.392 1.00 0.00 H +ATOM 4915 HB1 ALA A 444 -7.079 15.230 5.765 1.00 0.00 H +ATOM 4916 HB2 ALA A 444 -8.577 15.801 6.537 1.00 0.00 H +ATOM 4917 HB3 ALA A 444 -7.812 14.292 7.087 1.00 0.00 H +ATOM 4918 N GLN A 445 -8.266 11.765 5.059 1.00 15.95 N +ATOM 4919 CA GLN A 445 -7.445 10.627 4.660 1.00 16.39 C +ATOM 4920 C GLN A 445 -7.595 10.287 3.184 1.00 18.85 C +ATOM 4921 O GLN A 445 -8.679 10.402 2.623 1.00 19.18 O +ATOM 4922 CB GLN A 445 -7.785 9.403 5.496 1.00 15.58 C +ATOM 4923 CG GLN A 445 -7.649 9.612 7.004 1.00 18.02 C +ATOM 4924 CD GLN A 445 -7.710 8.331 7.800 1.00 17.17 C +ATOM 4925 NE2 GLN A 445 -8.109 8.451 9.062 1.00 18.60 N +ATOM 4926 OE1 GLN A 445 -7.385 7.247 7.305 1.00 23.03 O +ATOM 4927 H GLN A 445 -9.066 11.598 5.652 1.00 0.00 H +ATOM 4928 HA GLN A 445 -6.401 10.882 4.844 1.00 0.00 H +ATOM 4929 HB2 GLN A 445 -8.800 9.080 5.266 1.00 0.00 H +ATOM 4930 HB3 GLN A 445 -7.154 8.569 5.189 1.00 0.00 H +ATOM 4931 HG2 GLN A 445 -6.710 10.125 7.215 1.00 0.00 H +ATOM 4932 HG3 GLN A 445 -8.431 10.289 7.347 1.00 0.00 H +ATOM 4933 HE21 GLN A 445 -8.349 9.360 9.432 1.00 0.00 H +ATOM 4934 HE22 GLN A 445 -8.173 7.633 9.651 1.00 0.00 H +ATOM 4935 N MET A 446 -6.509 9.849 2.559 1.00 17.76 N +ATOM 4936 CA MET A 446 -6.544 9.455 1.167 1.00 19.75 C +ATOM 4937 C MET A 446 -7.213 8.089 1.053 1.00 21.56 C +ATOM 4938 O MET A 446 -7.034 7.234 1.907 1.00 24.09 O +ATOM 4939 CB MET A 446 -5.128 9.388 0.575 1.00 22.34 C +ATOM 4940 CG MET A 446 -4.329 10.697 0.605 1.00 25.92 C +ATOM 4941 SD MET A 446 -5.010 12.083 -0.322 1.00 36.87 S +ATOM 4942 CE MET A 446 -5.840 12.975 0.978 1.00 39.50 C +ATOM 4943 H MET A 446 -5.632 9.785 3.056 1.00 0.00 H +ATOM 4944 HA MET A 446 -7.129 10.184 0.606 1.00 0.00 H +ATOM 4945 HB2 MET A 446 -4.561 8.609 1.085 1.00 0.00 H +ATOM 4946 HB3 MET A 446 -5.184 9.024 -0.451 1.00 0.00 H +ATOM 4947 HG2 MET A 446 -4.175 10.999 1.641 1.00 0.00 H +ATOM 4948 HG3 MET A 446 -3.311 10.504 0.266 1.00 0.00 H +ATOM 4949 HE1 MET A 446 -6.314 13.865 0.563 1.00 0.00 H +ATOM 4950 HE2 MET A 446 -6.599 12.337 1.430 1.00 0.00 H +ATOM 4951 HE3 MET A 446 -5.115 13.270 1.737 1.00 0.00 H +ATOM 4952 N ILE A 447 -8.002 7.920 0.000 1.00 27.46 N +ATOM 4953 CA ILE A 447 -8.608 6.642 -0.337 1.00 33.04 C +ATOM 4954 C ILE A 447 -7.825 6.002 -1.473 1.00 33.18 C +ATOM 4955 O ILE A 447 -7.605 6.631 -2.509 1.00 32.35 O +ATOM 4956 CB ILE A 447 -10.058 6.828 -0.821 1.00 34.52 C +ATOM 4957 CG1 ILE A 447 -10.926 7.345 0.318 1.00 34.65 C +ATOM 4958 CG2 ILE A 447 -10.629 5.499 -1.392 1.00 38.75 C +ATOM 4959 CD1 ILE A 447 -12.281 7.754 -0.139 1.00 38.17 C +ATOM 4960 H ILE A 447 -8.205 8.700 -0.609 1.00 0.00 H +ATOM 4961 HA ILE A 447 -8.593 5.987 0.534 1.00 0.00 H +ATOM 4962 HB ILE A 447 -10.060 7.572 -1.618 1.00 0.00 H +ATOM 4963 HG12 ILE A 447 -11.019 6.573 1.082 1.00 0.00 H +ATOM 4964 HG13 ILE A 447 -10.433 8.193 0.793 1.00 0.00 H +ATOM 4965 HG21 ILE A 447 -11.654 5.658 -1.727 1.00 0.00 H +ATOM 4966 HG22 ILE A 447 -10.019 5.173 -2.234 1.00 0.00 H +ATOM 4967 HG23 ILE A 447 -10.615 4.734 -0.616 1.00 0.00 H +ATOM 4968 HD11 ILE A 447 -12.859 8.115 0.712 1.00 0.00 H +ATOM 4969 HD12 ILE A 447 -12.191 8.549 -0.879 1.00 0.00 H +ATOM 4970 HD13 ILE A 447 -12.788 6.899 -0.585 1.00 0.00 H +ATOM 4971 N THR A 448 -7.420 4.756 -1.277 1.00 36.58 N +ATOM 4972 CA THR A 448 -6.936 3.924 -2.378 1.00 41.82 C +ATOM 4973 C THR A 448 -7.567 2.546 -2.256 1.00 44.94 C +ATOM 4974 O THR A 448 -7.029 1.659 -1.592 1.00 49.13 O +ATOM 4975 CB THR A 448 -5.397 3.769 -2.387 1.00 41.92 C +ATOM 4976 CG2 THR A 448 -4.714 5.120 -2.559 1.00 43.16 C +ATOM 4977 OG1 THR A 448 -4.965 3.159 -1.162 1.00 42.57 O +ATOM 4978 H THR A 448 -7.441 4.358 -0.349 1.00 0.00 H +ATOM 4979 HA THR A 448 -7.250 4.372 -3.321 1.00 0.00 H +ATOM 4980 HB THR A 448 -5.114 3.124 -3.219 1.00 0.00 H +ATOM 4981 HG1 THR A 448 -4.010 3.064 -1.171 1.00 0.00 H +ATOM 4982 HG21 THR A 448 -3.633 4.983 -2.562 1.00 0.00 H +ATOM 4983 HG22 THR A 448 -5.026 5.568 -3.503 1.00 0.00 H +ATOM 4984 HG23 THR A 448 -4.994 5.777 -1.736 1.00 0.00 H +ATOM 4985 N ILE A 449 -8.717 2.368 -2.884 1.00 48.04 N +ATOM 4986 CA ILE A 449 -9.345 1.053 -2.911 1.00 50.72 C +ATOM 4987 C ILE A 449 -8.571 0.151 -3.884 1.00 53.66 C +ATOM 4988 O ILE A 449 -8.218 0.558 -5.006 1.00 55.29 O +ATOM 4989 CB ILE A 449 -10.865 1.130 -3.252 1.00 49.33 C +ATOM 4990 CG1 ILE A 449 -11.608 1.917 -2.173 1.00 45.95 C +ATOM 4991 CG2 ILE A 449 -11.479 -0.261 -3.382 1.00 48.72 C +ATOM 4992 CD1 ILE A 449 -11.421 1.385 -0.757 1.00 45.53 C +ATOM 4993 H ILE A 449 -9.165 3.145 -3.348 1.00 0.00 H +ATOM 4994 HA ILE A 449 -9.251 0.621 -1.914 1.00 0.00 H +ATOM 4995 HB ILE A 449 -10.981 1.650 -4.203 1.00 0.00 H +ATOM 4996 HG12 ILE A 449 -11.298 2.961 -2.210 1.00 0.00 H +ATOM 4997 HG13 ILE A 449 -12.671 1.942 -2.412 1.00 0.00 H +ATOM 4998 HG21 ILE A 449 -12.539 -0.170 -3.620 1.00 0.00 H +ATOM 4999 HG22 ILE A 449 -10.974 -0.809 -4.178 1.00 0.00 H +ATOM 5000 HG23 ILE A 449 -11.363 -0.799 -2.441 1.00 0.00 H +ATOM 5001 HD11 ILE A 449 -11.984 2.004 -0.058 1.00 0.00 H +ATOM 5002 HD12 ILE A 449 -11.782 0.358 -0.704 1.00 0.00 H +ATOM 5003 HD13 ILE A 449 -10.363 1.412 -0.495 1.00 0.00 H +ATOM 5004 N THR A 450 -8.283 -1.059 -3.412 1.00 54.37 N +ATOM 5005 CA THR A 450 -7.629 -2.083 -4.208 1.00 55.50 C +ATOM 5006 C THR A 450 -8.618 -2.549 -5.287 1.00 56.44 C +ATOM 5007 O THR A 450 -9.797 -2.740 -4.984 1.00 56.01 O +ATOM 5008 CB THR A 450 -7.224 -3.286 -3.317 1.00 55.55 C +ATOM 5009 CG2 THR A 450 -6.125 -4.102 -3.974 1.00 56.75 C +ATOM 5010 OG1 THR A 450 -6.783 -2.823 -2.029 1.00 55.61 O +ATOM 5011 H THR A 450 -8.520 -1.299 -2.460 1.00 0.00 H +ATOM 5012 HA THR A 450 -6.741 -1.665 -4.683 1.00 0.00 H +ATOM 5013 HB THR A 450 -8.096 -3.925 -3.177 1.00 0.00 H +ATOM 5014 HG1 THR A 450 -6.535 -3.575 -1.486 1.00 0.00 H +ATOM 5015 HG21 THR A 450 -5.859 -4.940 -3.329 1.00 0.00 H +ATOM 5016 HG22 THR A 450 -6.477 -4.480 -4.934 1.00 0.00 H +ATOM 5017 HG23 THR A 450 -5.249 -3.473 -4.131 1.00 0.00 H +ATOM 5018 N PRO A 451 -8.158 -2.723 -6.546 1.00 57.68 N +ATOM 5019 CA PRO A 451 -9.102 -3.113 -7.612 1.00 58.92 C +ATOM 5020 C PRO A 451 -9.677 -4.525 -7.441 1.00 58.86 C +ATOM 5021 O PRO A 451 -10.885 -4.728 -7.605 1.00 58.16 O +ATOM 5022 CB PRO A 451 -8.259 -3.034 -8.898 1.00 59.43 C +ATOM 5023 CG PRO A 451 -6.974 -2.366 -8.515 1.00 59.12 C +ATOM 5024 CD PRO A 451 -6.780 -2.589 -7.053 1.00 58.34 C +ATOM 5025 HA PRO A 451 -9.916 -2.390 -7.663 1.00 0.00 H +ATOM 5026 HB2 PRO A 451 -8.050 -4.042 -9.257 1.00 0.00 H +ATOM 5027 HB3 PRO A 451 -8.779 -2.423 -9.635 1.00 0.00 H +ATOM 5028 HG2 PRO A 451 -6.150 -2.823 -9.064 1.00 0.00 H +ATOM 5029 HG3 PRO A 451 -7.048 -1.297 -8.712 1.00 0.00 H +ATOM 5030 HD2 PRO A 451 -6.247 -3.528 -6.900 1.00 0.00 H +ATOM 5031 HD3 PRO A 451 -6.319 -1.705 -6.612 1.00 0.00 H +ATOM 5032 HXT PRO A 451 -9.023 -5.343 -7.177 1.00 0.00 H +ATOM 5033 N SER A 457 -10.055 -15.756 -12.123 1.00 27.99 N +ATOM 5034 CA SER A 457 -10.869 -15.127 -11.082 1.00 27.39 C +ATOM 5035 C SER A 457 -11.066 -15.953 -9.793 1.00 25.36 C +ATOM 5036 O SER A 457 -10.495 -17.036 -9.612 1.00 23.54 O +ATOM 5037 CB SER A 457 -12.217 -14.650 -11.649 1.00 26.00 C +ATOM 5038 OG SER A 457 -13.203 -15.662 -11.630 1.00 30.22 O +ATOM 5039 HA SER A 457 -10.332 -14.226 -10.783 1.00 0.00 H +ATOM 5040 HB2 SER A 457 -12.568 -13.792 -11.076 1.00 0.00 H +ATOM 5041 HB3 SER A 457 -12.076 -14.300 -12.672 1.00 0.00 H +ATOM 5042 HG SER A 457 -14.023 -15.318 -11.992 1.00 0.00 H +ATOM 5043 H1 SER A 457 -9.988 -15.137 -12.919 1.00 0.00 H +ATOM 5044 H2 SER A 457 -9.130 -15.940 -11.762 1.00 0.00 H +ATOM 5045 N MET A 458 -11.879 -15.406 -8.891 1.00 24.48 N +ATOM 5046 CA MET A 458 -11.807 -15.774 -7.481 1.00 23.86 C +ATOM 5047 C MET A 458 -13.171 -15.752 -6.802 1.00 25.06 C +ATOM 5048 O MET A 458 -13.271 -15.708 -5.575 1.00 28.52 O +ATOM 5049 CB MET A 458 -10.799 -14.855 -6.773 1.00 25.65 C +ATOM 5050 CG MET A 458 -9.337 -15.146 -7.160 1.00 28.19 C +ATOM 5051 SD MET A 458 -8.782 -16.886 -6.950 1.00 29.65 S +ATOM 5052 CE MET A 458 -7.750 -16.712 -5.488 1.00 25.80 C +ATOM 5053 H MET A 458 -12.564 -14.721 -9.178 1.00 0.00 H +ATOM 5054 HA MET A 458 -11.424 -16.793 -7.423 1.00 0.00 H +ATOM 5055 HB2 MET A 458 -11.034 -13.816 -7.002 1.00 0.00 H +ATOM 5056 HB3 MET A 458 -10.914 -14.955 -5.694 1.00 0.00 H +ATOM 5057 HG2 MET A 458 -9.170 -14.837 -8.192 1.00 0.00 H +ATOM 5058 HG3 MET A 458 -8.677 -14.487 -6.595 1.00 0.00 H +ATOM 5059 HE1 MET A 458 -7.331 -17.682 -5.221 1.00 0.00 H +ATOM 5060 HE2 MET A 458 -6.941 -16.012 -5.695 1.00 0.00 H +ATOM 5061 HE3 MET A 458 -8.352 -16.337 -4.660 1.00 0.00 H +ATOM 5062 N GLU A 459 -14.219 -15.857 -7.615 1.00 24.04 N +ATOM 5063 CA GLU A 459 -15.591 -15.715 -7.140 1.00 24.64 C +ATOM 5064 C GLU A 459 -16.086 -16.886 -6.286 1.00 24.82 C +ATOM 5065 O GLU A 459 -17.053 -16.741 -5.540 1.00 27.24 O +ATOM 5066 CB GLU A 459 -16.543 -15.453 -8.327 1.00 26.66 C +ATOM 5067 CG GLU A 459 -17.084 -16.687 -9.076 1.00 30.90 C +ATOM 5068 CD GLU A 459 -16.109 -17.316 -10.101 1.00 29.76 C +ATOM 5069 OE1 GLU A 459 -15.018 -16.733 -10.343 1.00 28.27 O +ATOM 5070 OE2 GLU A 459 -16.447 -18.407 -10.675 1.00 29.59 O1- +ATOM 5071 H GLU A 459 -14.079 -16.041 -8.598 1.00 0.00 H +ATOM 5072 HA GLU A 459 -15.618 -14.827 -6.508 1.00 0.00 H +ATOM 5073 HB2 GLU A 459 -17.381 -14.844 -7.987 1.00 0.00 H +ATOM 5074 HB3 GLU A 459 -16.054 -14.788 -9.039 1.00 0.00 H +ATOM 5075 HG2 GLU A 459 -17.384 -17.445 -8.352 1.00 0.00 H +ATOM 5076 HG3 GLU A 459 -18.015 -16.424 -9.578 1.00 0.00 H +ATOM 5077 N CYS A 460 -15.436 -18.045 -6.395 1.00 21.95 N +ATOM 5078 CA CYS A 460 -15.849 -19.255 -5.674 1.00 23.67 C +ATOM 5079 C CYS A 460 -14.903 -19.636 -4.559 1.00 23.24 C +ATOM 5080 O CYS A 460 -15.080 -20.668 -3.910 1.00 26.12 O +ATOM 5081 CB CYS A 460 -15.964 -20.433 -6.628 1.00 22.52 C +ATOM 5082 SG CYS A 460 -17.237 -20.190 -7.810 1.00 25.10 S +ATOM 5083 H CYS A 460 -14.625 -18.115 -6.992 1.00 0.00 H +ATOM 5084 HA CYS A 460 -16.832 -19.073 -5.239 1.00 0.00 H +ATOM 5085 HB2 CYS A 460 -15.014 -20.577 -7.143 1.00 0.00 H +ATOM 5086 HB3 CYS A 460 -16.165 -21.341 -6.060 1.00 0.00 H +ATOM 5087 HG CYS A 460 -17.299 -21.248 -8.623 1.00 0.00 H +ATOM 5088 N VAL A 461 -13.915 -18.798 -4.317 1.00 23.02 N +ATOM 5089 CA VAL A 461 -12.922 -19.109 -3.321 1.00 23.16 C +ATOM 5090 C VAL A 461 -13.565 -19.054 -1.924 1.00 24.08 C +ATOM 5091 O VAL A 461 -14.288 -18.116 -1.574 1.00 23.91 O +ATOM 5092 CB VAL A 461 -11.723 -18.176 -3.424 1.00 23.72 C +ATOM 5093 CG1 VAL A 461 -10.709 -18.465 -2.328 1.00 25.26 C +ATOM 5094 CG2 VAL A 461 -11.082 -18.318 -4.796 1.00 22.63 C +ATOM 5095 H VAL A 461 -13.851 -17.931 -4.831 1.00 0.00 H +ATOM 5096 HA VAL A 461 -12.575 -20.128 -3.495 1.00 0.00 H +ATOM 5097 HB VAL A 461 -12.072 -17.150 -3.310 1.00 0.00 H +ATOM 5098 HG11 VAL A 461 -9.863 -17.784 -2.426 1.00 0.00 H +ATOM 5099 HG12 VAL A 461 -11.177 -18.325 -1.353 1.00 0.00 H +ATOM 5100 HG13 VAL A 461 -10.359 -19.493 -2.418 1.00 0.00 H +ATOM 5101 HG21 VAL A 461 -10.224 -17.649 -4.868 1.00 0.00 H +ATOM 5102 HG22 VAL A 461 -10.753 -19.347 -4.939 1.00 0.00 H +ATOM 5103 HG23 VAL A 461 -11.809 -18.059 -5.566 1.00 0.00 H +ATOM 5104 N ASP A 462 -13.282 -20.085 -1.142 1.00 21.44 N +ATOM 5105 CA ASP A 462 -13.870 -20.271 0.175 1.00 19.47 C +ATOM 5106 C ASP A 462 -12.796 -20.902 1.058 1.00 18.82 C +ATOM 5107 O ASP A 462 -12.571 -22.120 1.019 1.00 19.85 O +ATOM 5108 CB ASP A 462 -15.103 -21.155 0.070 1.00 20.25 C +ATOM 5109 CG ASP A 462 -15.829 -21.344 1.401 1.00 22.13 C +ATOM 5110 OD1 ASP A 462 -15.525 -20.651 2.389 1.00 20.87 O +ATOM 5111 OD2 ASP A 462 -16.747 -22.195 1.437 1.00 28.28 O1- +ATOM 5112 H ASP A 462 -12.629 -20.790 -1.453 1.00 0.00 H +ATOM 5113 HA ASP A 462 -14.153 -19.302 0.586 1.00 0.00 H +ATOM 5114 HB2 ASP A 462 -15.792 -20.730 -0.661 1.00 0.00 H +ATOM 5115 HB3 ASP A 462 -14.817 -22.129 -0.328 1.00 0.00 H +ATOM 5116 N SER A 463 -12.088 -20.057 1.802 1.00 17.16 N +ATOM 5117 CA SER A 463 -11.013 -20.503 2.667 1.00 17.31 C +ATOM 5118 C SER A 463 -11.290 -20.233 4.137 1.00 18.76 C +ATOM 5119 O SER A 463 -12.178 -19.442 4.490 1.00 16.77 O +ATOM 5120 CB SER A 463 -9.717 -19.813 2.252 1.00 17.99 C +ATOM 5121 OG SER A 463 -9.682 -18.466 2.697 1.00 18.95 O +ATOM 5122 H SER A 463 -12.292 -19.068 1.776 1.00 0.00 H +ATOM 5123 HA SER A 463 -10.888 -21.577 2.533 1.00 0.00 H +ATOM 5124 HB2 SER A 463 -8.868 -20.355 2.669 1.00 0.00 H +ATOM 5125 HB3 SER A 463 -9.624 -19.839 1.166 1.00 0.00 H +ATOM 5126 HG SER A 463 -8.857 -18.059 2.422 1.00 0.00 H +ATOM 5127 N GLU A 464 -10.497 -20.835 5.005 1.00 17.55 N +ATOM 5128 CA GLU A 464 -10.691 -20.660 6.449 1.00 20.25 C +ATOM 5129 C GLU A 464 -10.549 -19.196 6.857 1.00 20.84 C +ATOM 5130 O GLU A 464 -11.304 -18.709 7.706 1.00 18.23 O +ATOM 5131 CB GLU A 464 -9.690 -21.490 7.237 1.00 20.65 C +ATOM 5132 CG GLU A 464 -9.806 -22.972 7.002 1.00 26.64 C +ATOM 5133 CD GLU A 464 -9.020 -23.802 8.015 1.00 34.49 C +ATOM 5134 OE1 GLU A 464 -7.923 -23.374 8.440 1.00 34.18 O +ATOM 5135 OE2 GLU A 464 -9.515 -24.892 8.373 1.00 46.37 O1- +ATOM 5136 H GLU A 464 -9.745 -21.425 4.678 1.00 0.00 H +ATOM 5137 HA GLU A 464 -11.696 -20.995 6.706 1.00 0.00 H +ATOM 5138 HB2 GLU A 464 -8.679 -21.164 6.994 1.00 0.00 H +ATOM 5139 HB3 GLU A 464 -9.806 -21.283 8.301 1.00 0.00 H +ATOM 5140 HG2 GLU A 464 -10.856 -23.262 7.033 1.00 0.00 H +ATOM 5141 HG3 GLU A 464 -9.460 -23.207 5.995 1.00 0.00 H +ATOM 5142 N ARG A 465 -9.584 -18.505 6.247 1.00 20.16 N +ATOM 5143 CA ARG A 465 -9.302 -17.094 6.571 1.00 23.27 C +ATOM 5144 C ARG A 465 -10.143 -16.095 5.790 1.00 22.68 C +ATOM 5145 O ARG A 465 -10.320 -14.953 6.229 1.00 24.89 O +ATOM 5146 CB ARG A 465 -7.806 -16.794 6.389 1.00 24.68 C +ATOM 5147 CG ARG A 465 -7.036 -16.989 7.669 1.00 36.55 C +ATOM 5148 CD ARG A 465 -5.763 -17.753 7.488 1.00 47.42 C +ATOM 5149 NE ARG A 465 -5.562 -18.615 8.656 1.00 57.83 N +ATOM 5150 CZ ARG A 465 -5.828 -19.922 8.708 1.00 61.17 C +ATOM 5151 NH1 ARG A 465 -5.619 -20.584 9.839 1.00 62.45 N1+ +ATOM 5152 NH2 ARG A 465 -6.284 -20.578 7.643 1.00 61.85 N1+ +ATOM 5153 H ARG A 465 -9.018 -18.947 5.537 1.00 0.00 H +ATOM 5154 HA ARG A 465 -9.533 -16.954 7.627 1.00 0.00 H +ATOM 5155 HB2 ARG A 465 -7.397 -17.445 5.617 1.00 0.00 H +ATOM 5156 HB3 ARG A 465 -7.681 -15.768 6.044 1.00 0.00 H +ATOM 5157 HG2 ARG A 465 -6.815 -16.017 8.110 1.00 0.00 H +ATOM 5158 HG3 ARG A 465 -7.666 -17.502 8.395 1.00 0.00 H +ATOM 5159 HD2 ARG A 465 -5.833 -18.368 6.591 1.00 0.00 H +ATOM 5160 HD3 ARG A 465 -4.930 -17.055 7.404 1.00 0.00 H +ATOM 5161 HE ARG A 465 -5.190 -18.143 9.468 1.00 0.00 H +ATOM 5162 HH11 ARG A 465 -5.262 -20.099 10.650 1.00 0.00 H +ATOM 5163 HH12 ARG A 465 -5.817 -21.573 9.889 1.00 0.00 H +ATOM 5164 HH21 ARG A 465 -6.435 -20.087 6.774 1.00 0.00 H +ATOM 5165 HH22 ARG A 465 -6.479 -21.567 7.704 1.00 0.00 H +ATOM 5166 N ARG A 466 -10.651 -16.527 4.641 1.00 18.12 N +ATOM 5167 CA ARG A 466 -11.479 -15.709 3.755 1.00 17.26 C +ATOM 5168 C ARG A 466 -12.655 -16.540 3.242 1.00 16.01 C +ATOM 5169 O ARG A 466 -12.677 -16.986 2.092 1.00 15.93 O +ATOM 5170 CB ARG A 466 -10.636 -15.156 2.613 1.00 19.07 C +ATOM 5171 CG ARG A 466 -9.626 -14.153 3.101 1.00 23.32 C +ATOM 5172 CD ARG A 466 -8.610 -13.787 2.037 1.00 21.86 C +ATOM 5173 NE ARG A 466 -7.494 -13.078 2.655 1.00 29.06 N +ATOM 5174 CZ ARG A 466 -6.511 -13.652 3.362 1.00 37.11 C +ATOM 5175 NH1 ARG A 466 -5.556 -12.896 3.897 1.00 39.43 N1+ +ATOM 5176 NH2 ARG A 466 -6.465 -14.973 3.538 1.00 36.31 N1+ +ATOM 5177 H ARG A 466 -10.472 -17.472 4.334 1.00 0.00 H +ATOM 5178 HA ARG A 466 -11.874 -14.871 4.329 1.00 0.00 H +ATOM 5179 HB2 ARG A 466 -10.120 -15.976 2.113 1.00 0.00 H +ATOM 5180 HB3 ARG A 466 -11.287 -14.686 1.876 1.00 0.00 H +ATOM 5181 HG2 ARG A 466 -10.142 -13.252 3.435 1.00 0.00 H +ATOM 5182 HG3 ARG A 466 -9.109 -14.554 3.973 1.00 0.00 H +ATOM 5183 HD2 ARG A 466 -8.243 -14.695 1.558 1.00 0.00 H +ATOM 5184 HD3 ARG A 466 -9.080 -13.145 1.292 1.00 0.00 H +ATOM 5185 HE ARG A 466 -7.499 -12.078 2.516 1.00 0.00 H +ATOM 5186 HH11 ARG A 466 -5.574 -11.894 3.769 1.00 0.00 H +ATOM 5187 HH12 ARG A 466 -4.813 -13.324 4.431 1.00 0.00 H +ATOM 5188 HH21 ARG A 466 -7.180 -15.561 3.135 1.00 0.00 H +ATOM 5189 HH22 ARG A 466 -5.715 -15.385 4.075 1.00 0.00 H +ATOM 5190 N PRO A 467 -13.629 -16.805 4.124 1.00 15.58 N +ATOM 5191 CA PRO A 467 -14.752 -17.640 3.758 1.00 17.44 C +ATOM 5192 C PRO A 467 -15.689 -17.003 2.755 1.00 19.46 C +ATOM 5193 O PRO A 467 -15.768 -15.760 2.656 1.00 17.96 O +ATOM 5194 CB PRO A 467 -15.484 -17.849 5.094 1.00 16.47 C +ATOM 5195 CG PRO A 467 -14.494 -17.485 6.148 1.00 18.50 C +ATOM 5196 CD PRO A 467 -13.692 -16.420 5.545 1.00 16.57 C +ATOM 5197 HA PRO A 467 -14.395 -18.597 3.377 1.00 0.00 H +ATOM 5198 HB2 PRO A 467 -16.336 -17.172 5.149 1.00 0.00 H +ATOM 5199 HB3 PRO A 467 -15.753 -18.900 5.198 1.00 0.00 H +ATOM 5200 HG2 PRO A 467 -15.021 -17.092 7.018 1.00 0.00 H +ATOM 5201 HG3 PRO A 467 -13.856 -18.344 6.356 1.00 0.00 H +ATOM 5202 HD2 PRO A 467 -14.223 -15.473 5.638 1.00 0.00 H +ATOM 5203 HD3 PRO A 467 -12.688 -16.442 5.969 1.00 0.00 H +ATOM 5204 N HID A 468 -16.391 -17.853 2.015 1.00 18.07 N +ATOM 5205 CA HID A 468 -17.508 -17.403 1.216 1.00 21.62 C +ATOM 5206 C HID A 468 -18.727 -17.380 2.114 1.00 22.80 C +ATOM 5207 O HID A 468 -19.256 -18.437 2.483 1.00 23.57 O +ATOM 5208 CB HID A 468 -17.749 -18.317 0.020 1.00 23.60 C +ATOM 5209 CG HID A 468 -18.823 -17.819 -0.896 1.00 24.08 C +ATOM 5210 CD2 HID A 468 -20.126 -18.175 -1.023 1.00 30.49 C +ATOM 5211 ND1 HID A 468 -18.612 -16.803 -1.803 1.00 27.65 N +ATOM 5212 CE1 HID A 468 -19.734 -16.566 -2.459 1.00 33.49 C +ATOM 5213 NE2 HID A 468 -20.668 -17.384 -2.005 1.00 27.83 N +ATOM 5214 H HID A 468 -16.148 -18.833 2.004 1.00 0.00 H +ATOM 5215 HA HID A 468 -17.308 -16.393 0.859 1.00 0.00 H +ATOM 5216 HB2 HID A 468 -16.821 -18.433 -0.540 1.00 0.00 H +ATOM 5217 HB3 HID A 468 -18.009 -19.315 0.374 1.00 0.00 H +ATOM 5218 HD1 HID A 468 -17.701 -16.372 -1.876 1.00 0.00 H +ATOM 5219 HD2 HID A 468 -20.535 -18.957 -0.400 1.00 0.00 H +ATOM 5220 HE1 HID A 468 -19.762 -15.802 -3.222 1.00 0.00 H +ATOM 5221 N PHE A 469 -19.181 -16.180 2.468 1.00 22.83 N +ATOM 5222 CA PHE A 469 -20.238 -16.033 3.461 1.00 24.07 C +ATOM 5223 C PHE A 469 -21.625 -16.069 2.863 1.00 24.52 C +ATOM 5224 O PHE A 469 -21.819 -15.685 1.717 1.00 19.94 O +ATOM 5225 CB PHE A 469 -20.071 -14.740 4.227 1.00 25.16 C +ATOM 5226 CG PHE A 469 -18.954 -14.771 5.200 1.00 26.24 C +ATOM 5227 CD1 PHE A 469 -17.826 -14.005 4.993 1.00 19.95 C +ATOM 5228 CD2 PHE A 469 -19.015 -15.601 6.324 1.00 26.56 C +ATOM 5229 CE1 PHE A 469 -16.797 -14.001 5.898 1.00 19.23 C +ATOM 5230 CE2 PHE A 469 -17.970 -15.622 7.231 1.00 28.22 C +ATOM 5231 CZ PHE A 469 -16.861 -14.814 7.017 1.00 27.17 C +ATOM 5232 H PHE A 469 -18.792 -15.349 2.046 1.00 0.00 H +ATOM 5233 HA PHE A 469 -20.154 -16.858 4.168 1.00 0.00 H +ATOM 5234 HB2 PHE A 469 -19.916 -13.921 3.525 1.00 0.00 H +ATOM 5235 HB3 PHE A 469 -20.999 -14.506 4.749 1.00 0.00 H +ATOM 5236 HD1 PHE A 469 -17.743 -13.395 4.106 1.00 0.00 H +ATOM 5237 HD2 PHE A 469 -19.879 -16.228 6.486 1.00 0.00 H +ATOM 5238 HE1 PHE A 469 -15.939 -13.365 5.737 1.00 0.00 H +ATOM 5239 HE2 PHE A 469 -18.020 -16.264 8.098 1.00 0.00 H +ATOM 5240 HZ PHE A 469 -16.047 -14.821 7.727 1.00 0.00 H +ATOM 5241 N PRO A 470 -22.598 -16.531 3.656 1.00 26.48 N +ATOM 5242 CA PRO A 470 -23.969 -16.637 3.178 1.00 26.67 C +ATOM 5243 C PRO A 470 -24.669 -15.288 3.219 1.00 23.65 C +ATOM 5244 O PRO A 470 -24.311 -14.435 4.024 1.00 22.16 O +ATOM 5245 CB PRO A 470 -24.607 -17.587 4.197 1.00 26.55 C +ATOM 5246 CG PRO A 470 -23.897 -17.257 5.485 1.00 28.18 C +ATOM 5247 CD PRO A 470 -22.473 -16.959 5.068 1.00 26.59 C +ATOM 5248 HA PRO A 470 -24.001 -17.063 2.175 1.00 0.00 H +ATOM 5249 HB2 PRO A 470 -25.666 -17.349 4.298 1.00 0.00 H +ATOM 5250 HB3 PRO A 470 -24.386 -18.617 3.917 1.00 0.00 H +ATOM 5251 HG2 PRO A 470 -24.340 -16.362 5.922 1.00 0.00 H +ATOM 5252 HG3 PRO A 470 -23.907 -18.131 6.137 1.00 0.00 H +ATOM 5253 HD2 PRO A 470 -22.089 -16.130 5.663 1.00 0.00 H +ATOM 5254 HD3 PRO A 470 -21.884 -17.875 5.116 1.00 0.00 H +ATOM 5255 N GLN A 471 -25.684 -15.139 2.376 1.00 24.08 N +ATOM 5256 CA GLN A 471 -26.580 -13.971 2.383 1.00 23.38 C +ATOM 5257 C GLN A 471 -25.902 -12.660 1.987 1.00 18.37 C +ATOM 5258 O GLN A 471 -26.396 -11.576 2.314 1.00 20.71 O +ATOM 5259 CB GLN A 471 -27.314 -13.830 3.737 1.00 24.97 C +ATOM 5260 CG GLN A 471 -28.689 -14.499 3.770 1.00 39.93 C +ATOM 5261 CD GLN A 471 -28.615 -16.017 3.791 1.00 49.34 C +ATOM 5262 NE2 GLN A 471 -28.259 -16.574 4.947 1.00 57.97 N +ATOM 5263 OE1 GLN A 471 -28.872 -16.683 2.781 1.00 56.49 O +ATOM 5264 H GLN A 471 -25.874 -15.849 1.683 1.00 0.00 H +ATOM 5265 HA GLN A 471 -27.347 -14.163 1.633 1.00 0.00 H +ATOM 5266 HB2 GLN A 471 -26.692 -14.244 4.530 1.00 0.00 H +ATOM 5267 HB3 GLN A 471 -27.420 -12.773 3.982 1.00 0.00 H +ATOM 5268 HG2 GLN A 471 -29.240 -14.151 4.644 1.00 0.00 H +ATOM 5269 HG3 GLN A 471 -29.269 -14.177 2.905 1.00 0.00 H +ATOM 5270 HE21 GLN A 471 -28.056 -15.992 5.747 1.00 0.00 H +ATOM 5271 HE22 GLN A 471 -28.192 -17.579 5.024 1.00 0.00 H +ATOM 5272 N PHE A 472 -24.814 -12.761 1.232 1.00 19.76 N +ATOM 5273 CA PHE A 472 -24.170 -11.595 0.630 1.00 18.47 C +ATOM 5274 C PHE A 472 -24.377 -11.513 -0.880 1.00 20.35 C +ATOM 5275 O PHE A 472 -23.437 -11.335 -1.662 1.00 22.77 O +ATOM 5276 CB PHE A 472 -22.689 -11.529 1.021 1.00 19.07 C +ATOM 5277 CG PHE A 472 -22.487 -10.932 2.371 1.00 14.80 C +ATOM 5278 CD1 PHE A 472 -22.560 -11.721 3.504 1.00 16.90 C +ATOM 5279 CD2 PHE A 472 -22.303 -9.567 2.514 1.00 16.82 C +ATOM 5280 CE1 PHE A 472 -22.418 -11.169 4.756 1.00 18.90 C +ATOM 5281 CE2 PHE A 472 -22.167 -9.011 3.759 1.00 16.58 C +ATOM 5282 CZ PHE A 472 -22.233 -9.814 4.890 1.00 20.58 C +ATOM 5283 H PHE A 472 -24.403 -13.667 1.057 1.00 0.00 H +ATOM 5284 HA PHE A 472 -24.648 -10.715 1.061 1.00 0.00 H +ATOM 5285 HB2 PHE A 472 -22.264 -12.532 1.001 1.00 0.00 H +ATOM 5286 HB3 PHE A 472 -22.144 -10.943 0.280 1.00 0.00 H +ATOM 5287 HD1 PHE A 472 -22.730 -12.784 3.412 1.00 0.00 H +ATOM 5288 HD2 PHE A 472 -22.266 -8.933 1.641 1.00 0.00 H +ATOM 5289 HE1 PHE A 472 -22.452 -11.800 5.632 1.00 0.00 H +ATOM 5290 HE2 PHE A 472 -22.008 -7.948 3.861 1.00 0.00 H +ATOM 5291 HZ PHE A 472 -22.139 -9.376 5.873 1.00 0.00 H +ATOM 5292 N ASP A 473 -25.635 -11.624 -1.274 1.00 18.54 N +ATOM 5293 CA ASP A 473 -26.043 -11.448 -2.670 1.00 18.30 C +ATOM 5294 C ASP A 473 -27.353 -10.663 -2.671 1.00 20.37 C +ATOM 5295 O ASP A 473 -28.340 -11.044 -3.314 1.00 20.93 O +ATOM 5296 CB ASP A 473 -26.195 -12.809 -3.344 1.00 20.16 C +ATOM 5297 CG ASP A 473 -26.472 -12.704 -4.823 1.00 24.86 C +ATOM 5298 OD1 ASP A 473 -27.154 -13.613 -5.356 1.00 26.89 O +ATOM 5299 OD2 ASP A 473 -26.016 -11.723 -5.457 1.00 27.65 O1- +ATOM 5300 H ASP A 473 -26.358 -11.838 -0.602 1.00 0.00 H +ATOM 5301 HA ASP A 473 -25.281 -10.872 -3.195 1.00 0.00 H +ATOM 5302 HB2 ASP A 473 -25.289 -13.395 -3.186 1.00 0.00 H +ATOM 5303 HB3 ASP A 473 -27.001 -13.363 -2.863 1.00 0.00 H +ATOM 5304 N TYR A 474 -27.339 -9.548 -1.939 1.00 18.39 N +ATOM 5305 CA TYR A 474 -28.543 -8.802 -1.631 1.00 13.87 C +ATOM 5306 C TYR A 474 -28.610 -7.466 -2.377 1.00 14.29 C +ATOM 5307 O TYR A 474 -27.666 -6.697 -2.370 1.00 13.43 O +ATOM 5308 CB TYR A 474 -28.659 -8.569 -0.115 1.00 14.78 C +ATOM 5309 CG TYR A 474 -29.864 -7.740 0.293 1.00 12.17 C +ATOM 5310 CD1 TYR A 474 -31.119 -8.341 0.479 1.00 11.21 C +ATOM 5311 CD2 TYR A 474 -29.784 -6.359 0.452 1.00 14.78 C +ATOM 5312 CE1 TYR A 474 -32.236 -7.597 0.809 1.00 15.11 C +ATOM 5313 CE2 TYR A 474 -30.900 -5.609 0.801 1.00 14.35 C +ATOM 5314 CZ TYR A 474 -32.126 -6.238 0.978 1.00 12.90 C +ATOM 5315 OH TYR A 474 -33.244 -5.520 1.315 1.00 16.43 O +ATOM 5316 H TYR A 474 -26.466 -9.193 -1.576 1.00 0.00 H +ATOM 5317 HA TYR A 474 -29.397 -9.402 -1.943 1.00 0.00 H +ATOM 5318 HB2 TYR A 474 -28.692 -9.531 0.397 1.00 0.00 H +ATOM 5319 HB3 TYR A 474 -27.750 -8.088 0.247 1.00 0.00 H +ATOM 5320 HD1 TYR A 474 -31.228 -9.409 0.365 1.00 0.00 H +ATOM 5321 HD2 TYR A 474 -28.842 -5.852 0.304 1.00 0.00 H +ATOM 5322 HE1 TYR A 474 -33.192 -8.084 0.933 1.00 0.00 H +ATOM 5323 HE2 TYR A 474 -30.813 -4.541 0.934 1.00 0.00 H +ATOM 5324 HH TYR A 474 -33.015 -4.591 1.398 1.00 0.00 H +ATOM 5325 N SER A 475 -29.747 -7.241 -3.031 1.00 13.74 N +ATOM 5326 CA SER A 475 -30.105 -5.955 -3.621 0.50 14.73 C +ATOM 5327 C SER A 475 -31.557 -5.676 -3.260 1.00 15.82 C +ATOM 5328 O SER A 475 -32.445 -6.474 -3.571 1.00 14.15 O +ATOM 5329 CB SER A 475 -29.927 -5.981 -5.135 0.50 15.26 C +ATOM 5330 OG SER A 475 -30.369 -4.762 -5.688 0.50 15.58 O +ATOM 5331 H SER A 475 -30.422 -7.985 -3.142 1.00 0.00 H +ATOM 5332 HA SER A 475 -29.472 -5.175 -3.197 0.50 0.00 H +ATOM 5333 HB2 SER A 475 -28.874 -6.127 -5.374 0.50 0.00 H +ATOM 5334 HB3 SER A 475 -30.508 -6.802 -5.555 0.50 0.00 H +ATOM 5335 HG SER A 475 -30.255 -4.783 -6.641 0.50 0.00 H +ATOM 5336 N ALA A 476 -31.822 -4.560 -2.575 1.00 14.25 N +ATOM 5337 CA ALA A 476 -33.178 -4.307 -2.066 1.00 16.82 C +ATOM 5338 C ALA A 476 -34.191 -4.215 -3.204 1.00 19.25 C +ATOM 5339 O ALA A 476 -33.928 -3.565 -4.212 1.00 20.06 O +ATOM 5340 CB ALA A 476 -33.208 -3.031 -1.252 1.00 18.19 C +ATOM 5341 H ALA A 476 -31.089 -3.886 -2.405 1.00 0.00 H +ATOM 5342 HA ALA A 476 -33.463 -5.136 -1.418 1.00 0.00 H +ATOM 5343 HB1 ALA A 476 -34.219 -2.859 -0.883 1.00 0.00 H +ATOM 5344 HB2 ALA A 476 -32.524 -3.122 -0.408 1.00 0.00 H +ATOM 5345 HB3 ALA A 476 -32.903 -2.193 -1.878 1.00 0.00 H +ATOM 5346 N SER A 477 -35.355 -4.849 -3.032 1.00 19.30 N +ATOM 5347 CA SER A 477 -36.390 -4.824 -4.068 1.00 24.49 C +ATOM 5348 C SER A 477 -37.014 -3.442 -4.243 1.00 29.23 C +ATOM 5349 O SER A 477 -37.196 -2.727 -3.267 1.00 33.64 O +ATOM 5350 CB SER A 477 -37.490 -5.829 -3.752 1.00 24.10 C +ATOM 5351 OG SER A 477 -37.058 -7.138 -4.084 1.00 30.74 O +ATOM 5352 H SER A 477 -35.532 -5.356 -2.177 1.00 0.00 H +ATOM 5353 HA SER A 477 -35.930 -5.111 -5.014 1.00 0.00 H +ATOM 5354 HB2 SER A 477 -37.729 -5.784 -2.689 1.00 0.00 H +ATOM 5355 HB3 SER A 477 -38.382 -5.584 -4.328 1.00 0.00 H +ATOM 5356 HG SER A 477 -37.755 -7.766 -3.883 1.00 0.00 H +ATOM 5357 HXT SER A 477 -37.295 -3.095 -5.226 1.00 0.00 H +TER +HETATM 5358 CL3 0XZ A 501 -16.185 -0.478 9.590 1.00 26.00 Cl +HETATM 5359 C1 0XZ A 501 -22.781 5.280 7.878 1.00 12.06 C +HETATM 5360 C2 0XZ A 501 -23.763 5.914 7.161 1.00 9.69 C +HETATM 5361 C3 0XZ A 501 -21.666 6.024 8.273 1.00 13.22 C +HETATM 5362 N4 0XZ A 501 -23.711 7.245 6.831 1.00 11.67 N +HETATM 5363 N5 0XZ A 501 -21.620 7.364 7.947 1.00 11.77 N +HETATM 5364 C6 0XZ A 501 -22.639 7.972 7.253 1.00 10.77 C +HETATM 5365 N7 0XZ A 501 -24.739 5.048 6.851 1.00 10.12 N +HETATM 5366 C8 0XZ A 501 -24.431 3.820 7.310 1.00 10.66 C +HETATM 5367 C9 0XZ A 501 -23.233 3.963 7.985 1.00 10.20 C +HETATM 5368 N10 0XZ A 501 -20.590 5.590 9.061 1.00 14.47 N +HETATM 5369 C11 0XZ A 501 -19.577 6.559 9.539 1.00 13.41 C +HETATM 5370 C12 0XZ A 501 -20.093 6.972 10.941 1.00 9.00 C +HETATM 5371 C13 0XZ A 501 -20.380 5.779 11.860 1.00 13.22 C +HETATM 5372 C14 0XZ A 501 -21.195 4.693 11.097 1.00 10.09 C +HETATM 5373 C15 0XZ A 501 -20.510 4.326 9.776 1.00 10.44 C +HETATM 5374 N16 0XZ A 501 -21.173 6.241 13.023 1.00 15.78 N +HETATM 5375 C17 0XZ A 501 -19.074 5.135 12.345 1.00 14.04 C +HETATM 5376 O18 0XZ A 501 -17.964 5.454 11.913 1.00 12.76 O +HETATM 5377 N19 0XZ A 501 -19.183 4.131 13.271 1.00 12.01 N +HETATM 5378 C20 0XZ A 501 -18.012 3.411 13.797 1.00 15.64 C +HETATM 5379 C21 0XZ A 501 -18.385 2.660 15.096 1.00 16.63 C +HETATM 5380 C22 0XZ A 501 -18.782 3.584 16.254 1.00 17.02 C +HETATM 5381 O23 0XZ A 501 -17.708 4.420 16.641 1.00 17.13 O +HETATM 5382 C24 0XZ A 501 -17.534 2.439 12.724 1.00 16.06 C +HETATM 5383 C25 0XZ A 501 -18.418 1.462 12.250 1.00 16.08 C +HETATM 5384 C26 0XZ A 501 -18.015 0.554 11.285 1.00 18.02 C +HETATM 5385 C27 0XZ A 501 -16.723 0.636 10.789 1.00 17.16 C +HETATM 5386 C28 0XZ A 501 -15.834 1.605 11.238 1.00 15.81 C +HETATM 5387 C29 0XZ A 501 -16.238 2.511 12.217 1.00 22.39 C +HETATM 5388 HN19 0XZ A 501 -20.092 3.861 13.618 1.00 0.00 H +HETATM 5389 HN7 0XZ A 501 -25.605 5.199 6.354 1.00 0.00 H +HETATM 5390 HC20 0XZ A 501 -17.218 4.126 14.011 1.00 0.00 H +HETATM 5391 HC25 0XZ A 501 -19.423 1.422 12.644 1.00 0.00 H +HETATM 5392 HC26 0XZ A 501 -18.687 -0.208 10.919 1.00 0.00 H +HETATM 5393 HC28 0XZ A 501 -14.836 1.653 10.830 1.00 0.00 H +HETATM 5394 HC29 0XZ A 501 -15.549 3.261 12.576 1.00 0.00 H +HETATM 5395 HC6 0XZ A 501 -22.591 9.030 7.040 1.00 0.00 H +HETATM 5396 HC8 0XZ A 501 -24.905 2.851 7.249 1.00 0.00 H +HETATM 5397 HC9 0XZ A 501 -22.654 3.237 8.538 1.00 0.00 H +HETATM 5398 HO23 0XZ A 501 -17.986 4.985 17.365 1.00 0.00 H +HETATM 5399 H111 0XZ A 501 -18.617 6.054 9.642 1.00 0.00 H +HETATM 5400 H112 0XZ A 501 -19.575 7.430 8.884 1.00 0.00 H +HETATM 5401 H121 0XZ A 501 -19.364 7.628 11.416 1.00 0.00 H +HETATM 5402 H122 0XZ A 501 -20.998 7.570 10.832 1.00 0.00 H +HETATM 5403 H141 0XZ A 501 -22.198 5.068 10.893 1.00 0.00 H +HETATM 5404 H142 0XZ A 501 -21.285 3.802 11.719 1.00 0.00 H +HETATM 5405 H151 0XZ A 501 -21.113 3.582 9.255 1.00 0.00 H +HETATM 5406 H152 0XZ A 501 -19.463 4.091 9.970 1.00 0.00 H +HETATM 5407 H161 0XZ A 501 -22.031 6.664 12.700 1.00 0.00 H +HETATM 5408 H162 0XZ A 501 -21.389 5.454 13.617 1.00 0.00 H +HETATM 5409 H211 0XZ A 501 -17.549 2.033 15.404 1.00 0.00 H +HETATM 5410 H212 0XZ A 501 -19.201 1.967 14.891 1.00 0.00 H +HETATM 5411 H221 0XZ A 501 -19.098 2.982 17.106 1.00 0.00 H +HETATM 5412 H222 0XZ A 501 -19.630 4.199 15.954 1.00 0.00 H +CONECT 1 2 11 12 +CONECT 2 1 3 5 7 +CONECT 3 2 4 4 13 +CONECT 4 3 3 +CONECT 5 2 6 8 9 +CONECT 6 5 10 +CONECT 7 2 +CONECT 8 5 +CONECT 9 5 +CONECT 10 6 +CONECT 11 1 +CONECT 12 1 +CONECT 13 3 14 24 +CONECT 14 13 15 17 25 +CONECT 15 14 16 16 37 +CONECT 16 15 15 +CONECT 17 14 18 26 27 +CONECT 18 17 19 28 29 +CONECT 19 18 20 30 31 +CONECT 20 19 21 32 +CONECT 21 20 22 22 23 +CONECT 22 21 21 33 34 +CONECT 23 21 35 36 +CONECT 24 13 +CONECT 25 14 +CONECT 26 17 +CONECT 27 17 +CONECT 28 18 +CONECT 29 18 +CONECT 30 19 +CONECT 31 19 +CONECT 32 20 +CONECT 33 22 +CONECT 34 22 +CONECT 35 23 +CONECT 36 23 +CONECT 37 15 38 44 +CONECT 38 37 39 41 45 +CONECT 39 38 40 40 53 +CONECT 40 39 39 +CONECT 41 38 42 43 46 +CONECT 42 41 47 48 49 +CONECT 43 41 50 51 52 +CONECT 44 37 +CONECT 45 38 +CONECT 46 41 +CONECT 47 42 +CONECT 48 42 +CONECT 49 42 +CONECT 50 43 +CONECT 51 43 +CONECT 52 43 +CONECT 53 39 54 60 +CONECT 54 53 55 57 61 +CONECT 55 54 56 56 67 +CONECT 56 55 55 +CONECT 57 54 58 59 62 +CONECT 58 57 64 65 66 +CONECT 59 57 63 +CONECT 60 53 +CONECT 61 54 +CONECT 62 57 +CONECT 63 59 +CONECT 64 58 +CONECT 65 58 +CONECT 66 58 +CONECT 67 55 68 75 +CONECT 68 67 69 71 76 +CONECT 69 68 70 70 84 +CONECT 70 69 69 +CONECT 71 68 72 77 78 +CONECT 72 71 73 79 80 +CONECT 73 72 74 +CONECT 74 73 81 82 83 +CONECT 75 67 +CONECT 76 68 +CONECT 77 71 +CONECT 78 71 +CONECT 79 72 +CONECT 80 72 +CONECT 81 74 +CONECT 82 74 +CONECT 83 74 +CONECT 84 69 85 92 +CONECT 85 84 86 88 93 +CONECT 86 85 87 87 98 +CONECT 87 86 86 +CONECT 88 85 89 94 95 +CONECT 89 88 90 91 91 +CONECT 90 89 96 97 +CONECT 91 89 89 +CONECT 92 84 +CONECT 93 85 +CONECT 94 88 +CONECT 95 88 +CONECT 96 90 +CONECT 97 90 +CONECT 98 86 99 107 +CONECT 99 98 100 102 108 +CONECT 100 99 101 101 113 +CONECT 101 100 100 +CONECT 102 99 103 109 110 +CONECT 103 102 104 111 112 +CONECT 104 103 105 105 106 +CONECT 105 104 104 +CONECT 106 104 +CONECT 107 98 +CONECT 108 99 +CONECT 109 102 +CONECT 110 102 +CONECT 111 103 +CONECT 112 103 +CONECT 113 100 114 124 +CONECT 114 113 115 117 125 +CONECT 115 114 116 116 133 +CONECT 116 115 115 +CONECT 117 114 118 126 127 +CONECT 118 117 119 119 120 +CONECT 119 118 118 121 128 +CONECT 120 118 122 122 129 +CONECT 121 119 123 123 130 +CONECT 122 120 120 123 131 +CONECT 123 121 121 122 132 +CONECT 124 113 +CONECT 125 114 +CONECT 126 117 +CONECT 127 117 +CONECT 128 119 +CONECT 129 120 +CONECT 130 121 +CONECT 131 122 +CONECT 132 123 +CONECT 133 115 134 142 +CONECT 134 133 135 137 143 +CONECT 135 134 136 136 148 +CONECT 136 135 135 +CONECT 137 134 138 144 145 +CONECT 138 137 139 146 147 +CONECT 139 138 140 140 141 +CONECT 140 139 139 +CONECT 141 139 +CONECT 142 133 +CONECT 143 134 +CONECT 144 137 +CONECT 145 137 +CONECT 146 138 +CONECT 147 138 +CONECT 148 135 149 160 +CONECT 149 148 150 152 161 +CONECT 150 149 151 151 169 +CONECT 151 150 150 +CONECT 152 149 153 162 163 +CONECT 153 152 154 154 155 +CONECT 154 153 153 156 164 +CONECT 155 153 157 157 165 +CONECT 156 154 158 158 166 +CONECT 157 155 155 158 167 +CONECT 158 156 156 157 159 +CONECT 159 158 168 +CONECT 160 148 +CONECT 161 149 +CONECT 162 152 +CONECT 163 152 +CONECT 164 154 +CONECT 165 155 +CONECT 166 156 +CONECT 167 157 +CONECT 168 159 +CONECT 169 150 170 177 +CONECT 170 169 171 173 178 +CONECT 171 170 172 172 188 +CONECT 172 171 171 +CONECT 173 170 174 179 180 +CONECT 174 173 175 176 181 +CONECT 175 174 182 183 184 +CONECT 176 174 185 186 187 +CONECT 177 169 +CONECT 178 170 +CONECT 179 173 +CONECT 180 173 +CONECT 181 174 +CONECT 182 175 +CONECT 183 175 +CONECT 184 175 +CONECT 185 176 +CONECT 186 176 +CONECT 187 176 +CONECT 188 171 189 197 +CONECT 189 188 190 192 198 +CONECT 190 189 191 191 210 +CONECT 191 190 190 +CONECT 192 189 193 199 200 +CONECT 193 192 194 201 202 +CONECT 194 193 195 203 204 +CONECT 195 194 196 205 206 +CONECT 196 195 207 208 209 +CONECT 197 188 +CONECT 198 189 +CONECT 199 192 +CONECT 200 192 +CONECT 201 193 +CONECT 202 193 +CONECT 203 194 +CONECT 204 194 +CONECT 205 195 +CONECT 206 195 +CONECT 207 196 +CONECT 208 196 +CONECT 209 196 +CONECT 210 190 211 218 +CONECT 211 210 212 214 219 +CONECT 212 211 213 213 229 +CONECT 213 212 212 +CONECT 214 211 215 220 221 +CONECT 215 214 216 217 222 +CONECT 216 215 223 224 225 +CONECT 217 215 226 227 228 +CONECT 218 210 +CONECT 219 211 +CONECT 220 214 +CONECT 221 214 +CONECT 222 215 +CONECT 223 216 +CONECT 224 216 +CONECT 225 216 +CONECT 226 217 +CONECT 227 217 +CONECT 228 217 +CONECT 229 212 230 237 +CONECT 230 229 231 233 238 +CONECT 231 230 232 232 248 +CONECT 232 231 231 +CONECT 233 230 234 239 240 +CONECT 234 233 235 236 241 +CONECT 235 234 242 243 244 +CONECT 236 234 245 246 247 +CONECT 237 229 +CONECT 238 230 +CONECT 239 233 +CONECT 240 233 +CONECT 241 234 +CONECT 242 235 +CONECT 243 235 +CONECT 244 235 +CONECT 245 236 +CONECT 246 236 +CONECT 247 236 +CONECT 248 231 249 252 +CONECT 249 248 250 253 254 +CONECT 250 249 251 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933 +CONECT 925 924 926 926 927 +CONECT 926 925 925 +CONECT 927 925 +CONECT 928 919 +CONECT 929 920 +CONECT 930 923 +CONECT 931 923 +CONECT 932 924 +CONECT 933 924 +CONECT 934 921 935 942 +CONECT 935 934 936 938 943 +CONECT 936 935 937 937 948 +CONECT 937 936 936 +CONECT 938 935 939 944 945 +CONECT 939 938 940 941 941 +CONECT 940 939 946 947 +CONECT 941 939 939 +CONECT 942 934 +CONECT 943 935 +CONECT 944 938 +CONECT 945 938 +CONECT 946 940 +CONECT 947 940 +CONECT 948 936 949 959 +CONECT 949 948 950 952 960 +CONECT 950 949 951 951 972 +CONECT 951 950 950 +CONECT 952 949 953 961 962 +CONECT 953 952 954 963 964 +CONECT 954 953 955 965 966 +CONECT 955 954 956 967 +CONECT 956 955 957 957 958 +CONECT 957 956 956 968 969 +CONECT 958 956 970 971 +CONECT 959 948 +CONECT 960 949 +CONECT 961 952 +CONECT 962 952 +CONECT 963 953 +CONECT 964 953 +CONECT 965 954 +CONECT 966 954 +CONECT 967 955 +CONECT 968 957 +CONECT 969 957 +CONECT 970 958 +CONECT 971 958 +CONECT 972 950 973 979 +CONECT 973 972 974 976 980 +CONECT 974 973 975 975 988 +CONECT 975 974 974 +CONECT 976 973 977 978 981 +CONECT 977 976 982 983 984 +CONECT 978 976 985 986 987 +CONECT 979 972 +CONECT 980 973 +CONECT 981 976 +CONECT 982 977 +CONECT 983 977 +CONECT 984 977 +CONECT 985 978 +CONECT 986 978 +CONECT 987 978 +CONECT 988 974 989 996 +CONECT 989 988 990 992 997 +CONECT 990 989 991 991 1007 +CONECT 991 990 990 +CONECT 992 989 993 998 999 +CONECT 993 992 994 995 1000 +CONECT 994 993 1001 1002 1003 +CONECT 995 993 1004 1005 1006 +CONECT 996 988 +CONECT 997 989 +CONECT 998 992 +CONECT 999 992 +CONECT 1000 993 +CONECT 1001 994 +CONECT 1002 994 +CONECT 1003 994 +CONECT 1004 995 +CONECT 1005 995 +CONECT 1006 995 +CONECT 1007 990 1008 1016 +CONECT 1008 1007 1009 1011 1017 +CONECT 1009 1008 1010 1010 1024 +CONECT 1010 1009 1009 +CONECT 1011 1008 1012 1018 1019 +CONECT 1012 1011 1013 1020 1021 +CONECT 1013 1012 1014 1015 1015 +CONECT 1014 1013 1022 1023 +CONECT 1015 1013 1013 +CONECT 1016 1007 +CONECT 1017 1008 +CONECT 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1057 1069 1070 +CONECT 1059 1057 1071 1072 +CONECT 1060 1049 +CONECT 1061 1050 +CONECT 1062 1053 +CONECT 1063 1053 +CONECT 1064 1054 +CONECT 1065 1054 +CONECT 1066 1055 +CONECT 1067 1055 +CONECT 1068 1056 +CONECT 1069 1058 +CONECT 1070 1058 +CONECT 1071 1059 +CONECT 1072 1059 +CONECT 1073 1051 1074 1083 +CONECT 1074 1073 1075 1077 1084 +CONECT 1075 1074 1076 1076 1090 +CONECT 1076 1075 1075 +CONECT 1077 1074 1078 1085 1086 +CONECT 1078 1077 1079 1079 1080 +CONECT 1079 1078 1078 1082 1088 +CONECT 1080 1078 1081 1087 +CONECT 1081 1080 1082 1082 1089 +CONECT 1082 1079 1081 1081 +CONECT 1083 1073 +CONECT 1084 1074 +CONECT 1085 1077 +CONECT 1086 1077 +CONECT 1087 1080 +CONECT 1088 1079 +CONECT 1089 1081 +CONECT 1090 1075 1091 1096 +CONECT 1091 1090 1092 1094 1097 +CONECT 1092 1091 1093 1093 1104 +CONECT 1093 1092 1092 +CONECT 1094 1091 1095 1098 1099 +CONECT 1095 1094 1096 1100 1101 +CONECT 1096 1090 1095 1102 1103 +CONECT 1097 1091 +CONECT 1098 1094 +CONECT 1099 1094 +CONECT 1100 1095 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1953 +CONECT 1965 1948 1966 1973 +CONECT 1966 1965 1967 1969 1974 +CONECT 1967 1966 1968 1968 1977 +CONECT 1968 1967 1967 +CONECT 1969 1966 1970 1975 1976 +CONECT 1970 1969 1971 1971 1972 +CONECT 1971 1970 1970 +CONECT 1972 1970 +CONECT 1973 1965 +CONECT 1974 1966 +CONECT 1975 1969 +CONECT 1976 1969 +CONECT 1977 1967 1978 1989 +CONECT 1978 1977 1979 1981 1990 +CONECT 1979 1978 1980 1980 1998 +CONECT 1980 1979 1979 +CONECT 1981 1978 1982 1991 1992 +CONECT 1982 1981 1983 1983 1984 +CONECT 1983 1982 1982 1985 1993 +CONECT 1984 1982 1986 1986 1994 +CONECT 1985 1983 1987 1987 1995 +CONECT 1986 1984 1984 1987 1996 +CONECT 1987 1985 1985 1986 1988 +CONECT 1988 1987 1997 +CONECT 1989 1977 +CONECT 1990 1978 +CONECT 1991 1981 +CONECT 1992 1981 +CONECT 1993 1983 +CONECT 1994 1984 +CONECT 1995 1985 +CONECT 1996 1986 +CONECT 1997 1988 +CONECT 1998 1979 1999 2006 +CONECT 1999 1998 2000 2002 2007 +CONECT 2000 1999 2001 2001 2017 +CONECT 2001 2000 2000 +CONECT 2002 1999 2003 2008 2009 +CONECT 2003 2002 2004 2005 2010 +CONECT 2004 2003 2011 2012 2013 +CONECT 2005 2003 2014 2015 2016 +CONECT 2006 1998 +CONECT 2007 1999 +CONECT 2008 2002 +CONECT 2009 2002 +CONECT 2010 2003 +CONECT 2011 2004 +CONECT 2012 2004 +CONECT 2013 2004 +CONECT 2014 2005 +CONECT 2015 2005 +CONECT 2016 2005 +CONECT 2017 2000 2018 2027 +CONECT 2018 2017 2019 2021 2028 +CONECT 2019 2018 2020 2020 2034 +CONECT 2020 2019 2019 +CONECT 2021 2018 2022 2029 2030 +CONECT 2022 2021 2023 2023 2024 +CONECT 2023 2022 2022 2026 2032 +CONECT 2024 2022 2025 2031 +CONECT 2025 2024 2026 2026 2033 +CONECT 2026 2023 2025 2025 +CONECT 2027 2017 +CONECT 2028 2018 +CONECT 2029 2021 +CONECT 2030 2021 +CONECT 2031 2024 +CONECT 2032 2023 +CONECT 2033 2025 +CONECT 2034 2019 2035 2040 +CONECT 2035 2034 2036 2038 2041 +CONECT 2036 2035 2037 2037 2045 +CONECT 2037 2036 2036 +CONECT 2038 2035 2039 2042 2043 +CONECT 2039 2038 2044 +CONECT 2040 2034 +CONECT 2041 2035 +CONECT 2042 2038 +CONECT 2043 2038 +CONECT 2044 2039 +CONECT 2045 2036 2046 2054 +CONECT 2046 2045 2047 2049 2055 +CONECT 2047 2046 2048 2048 2060 +CONECT 2048 2047 2047 +CONECT 2049 2046 2050 2056 2057 +CONECT 2050 2049 2051 2058 2059 +CONECT 2051 2050 2052 2052 2053 +CONECT 2052 2051 2051 +CONECT 2053 2051 +CONECT 2054 2045 +CONECT 2055 2046 +CONECT 2056 2049 +CONECT 2057 2049 +CONECT 2058 2050 +CONECT 2059 2050 +CONECT 2060 2047 2061 2069 +CONECT 2061 2060 2062 2064 2070 +CONECT 2062 2061 2063 2063 2082 +CONECT 2063 2062 2062 +CONECT 2064 2061 2065 2071 2072 +CONECT 2065 2064 2066 2073 2074 +CONECT 2066 2065 2067 2075 2076 +CONECT 2067 2066 2068 2077 2078 +CONECT 2068 2067 2079 2080 2081 +CONECT 2069 2060 +CONECT 2070 2061 +CONECT 2071 2064 +CONECT 2072 2064 +CONECT 2073 2065 +CONECT 2074 2065 +CONECT 2075 2066 +CONECT 2076 2066 +CONECT 2077 2067 +CONECT 2078 2067 +CONECT 2079 2068 +CONECT 2080 2068 +CONECT 2081 2068 +CONECT 2082 2062 2083 2090 +CONECT 2083 2082 2084 2086 2091 +CONECT 2084 2083 2085 2085 2096 +CONECT 2085 2084 2084 +CONECT 2086 2083 2087 2092 2093 +CONECT 2087 2086 2088 2089 2089 +CONECT 2088 2087 2094 2095 +CONECT 2089 2087 2087 +CONECT 2090 2082 +CONECT 2091 2083 +CONECT 2092 2086 +CONECT 2093 2086 +CONECT 2094 2088 +CONECT 2095 2088 +CONECT 2096 2084 2097 2103 +CONECT 2097 2096 2098 2100 2104 +CONECT 2098 2097 2099 2099 2112 +CONECT 2099 2098 2098 +CONECT 2100 2097 2101 2102 2105 +CONECT 2101 2100 2106 2107 2108 +CONECT 2102 2100 2109 2110 2111 +CONECT 2103 2096 +CONECT 2104 2097 +CONECT 2105 2100 +CONECT 2106 2101 +CONECT 2107 2101 +CONECT 2108 2101 +CONECT 2109 2102 +CONECT 2110 2102 +CONECT 2111 2102 +CONECT 2112 2098 2113 2119 +CONECT 2113 2112 2114 2116 2120 +CONECT 2114 2113 2115 2115 2128 +CONECT 2115 2114 2114 +CONECT 2116 2113 2117 2118 2121 +CONECT 2117 2116 2122 2123 2124 +CONECT 2118 2116 2125 2126 2127 +CONECT 2119 2112 +CONECT 2120 2113 +CONECT 2121 2116 +CONECT 2122 2117 +CONECT 2123 2117 +CONECT 2124 2117 +CONECT 2125 2118 +CONECT 2126 2118 +CONECT 2127 2118 +CONECT 2128 2114 2129 2140 +CONECT 2129 2128 2130 2132 2141 +CONECT 2130 2129 2131 2131 2149 +CONECT 2131 2130 2130 +CONECT 2132 2129 2133 2142 2143 +CONECT 2133 2132 2134 2134 2135 +CONECT 2134 2133 2133 2136 2144 +CONECT 2135 2133 2137 2137 2145 +CONECT 2136 2134 2138 2138 2146 +CONECT 2137 2135 2135 2138 2147 +CONECT 2138 2136 2136 2137 2139 +CONECT 2139 2138 2148 +CONECT 2140 2128 +CONECT 2141 2129 +CONECT 2142 2132 +CONECT 2143 2132 +CONECT 2144 2134 +CONECT 2145 2135 +CONECT 2146 2136 +CONECT 2147 2137 +CONECT 2148 2139 +CONECT 2149 2130 2150 2160 +CONECT 2150 2149 2151 2153 2161 +CONECT 2151 2150 2152 2152 2173 +CONECT 2152 2151 2151 +CONECT 2153 2150 2154 2162 2163 +CONECT 2154 2153 2155 2164 2165 +CONECT 2155 2154 2156 2166 2167 +CONECT 2156 2155 2157 2168 +CONECT 2157 2156 2158 2158 2159 +CONECT 2158 2157 2157 2169 2170 +CONECT 2159 2157 2171 2172 +CONECT 2160 2149 +CONECT 2161 2150 +CONECT 2162 2153 +CONECT 2163 2153 +CONECT 2164 2154 +CONECT 2165 2154 +CONECT 2166 2155 +CONECT 2167 2155 +CONECT 2168 2156 +CONECT 2169 2158 +CONECT 2170 2158 +CONECT 2171 2159 +CONECT 2172 2159 +CONECT 2173 2151 2174 2181 +CONECT 2174 2173 2175 2177 2182 +CONECT 2175 2174 2176 2176 2185 +CONECT 2176 2175 2175 +CONECT 2177 2174 2178 2183 2184 +CONECT 2178 2177 2179 2179 2180 +CONECT 2179 2178 2178 +CONECT 2180 2178 +CONECT 2181 2173 +CONECT 2182 2174 +CONECT 2183 2177 +CONECT 2184 2177 +CONECT 2185 2175 2186 2193 +CONECT 2186 2185 2187 2189 2194 +CONECT 2187 2186 2188 2188 2204 +CONECT 2188 2187 2187 +CONECT 2189 2186 2190 2195 2196 +CONECT 2190 2189 2191 2192 2197 +CONECT 2191 2190 2198 2199 2200 +CONECT 2192 2190 2201 2202 2203 +CONECT 2193 2185 +CONECT 2194 2186 +CONECT 2195 2189 +CONECT 2196 2189 +CONECT 2197 2190 +CONECT 2198 2191 +CONECT 2199 2191 +CONECT 2200 2191 +CONECT 2201 2192 +CONECT 2202 2192 +CONECT 2203 2192 +CONECT 2204 2187 2205 2213 +CONECT 2205 2204 2206 2208 2214 +CONECT 2206 2205 2207 2207 2226 +CONECT 2207 2206 2206 +CONECT 2208 2205 2209 2215 2216 +CONECT 2209 2208 2210 2217 2218 +CONECT 2210 2209 2211 2219 2220 +CONECT 2211 2210 2212 2221 2222 +CONECT 2212 2211 2223 2224 2225 +CONECT 2213 2204 +CONECT 2214 2205 +CONECT 2215 2208 +CONECT 2216 2208 +CONECT 2217 2209 +CONECT 2218 2209 +CONECT 2219 2210 +CONECT 2220 2210 +CONECT 2221 2211 +CONECT 2222 2211 +CONECT 2223 2212 +CONECT 2224 2212 +CONECT 2225 2212 +CONECT 2226 2206 2227 2234 +CONECT 2227 2226 2228 2230 2235 +CONECT 2228 2227 2229 2229 2245 +CONECT 2229 2228 2228 +CONECT 2230 2227 2231 2236 2237 +CONECT 2231 2230 2232 2233 2238 +CONECT 2232 2231 2239 2240 2241 +CONECT 2233 2231 2242 2243 2244 +CONECT 2234 2226 +CONECT 2235 2227 +CONECT 2236 2230 +CONECT 2237 2230 +CONECT 2238 2231 +CONECT 2239 2232 +CONECT 2240 2232 +CONECT 2241 2232 +CONECT 2242 2233 +CONECT 2243 2233 +CONECT 2244 2233 +CONECT 2245 2228 2246 2254 +CONECT 2246 2245 2247 2249 2255 +CONECT 2247 2246 2248 2248 2260 +CONECT 2248 2247 2247 +CONECT 2249 2246 2250 2256 2257 +CONECT 2250 2249 2251 2258 2259 +CONECT 2251 2250 2252 2252 2253 +CONECT 2252 2251 2251 +CONECT 2253 2251 +CONECT 2254 2245 +CONECT 2255 2246 +CONECT 2256 2249 +CONECT 2257 2249 +CONECT 2258 2250 +CONECT 2259 2250 +CONECT 2260 2247 2261 2268 +CONECT 2261 2260 2262 2264 2269 +CONECT 2262 2261 2263 2263 2274 +CONECT 2263 2262 2262 +CONECT 2264 2261 2265 2270 2271 +CONECT 2265 2264 2266 2267 2267 +CONECT 2266 2265 2272 2273 +CONECT 2267 2265 2265 +CONECT 2268 2260 +CONECT 2269 2261 +CONECT 2270 2264 +CONECT 2271 2264 +CONECT 2272 2266 +CONECT 2273 2266 +CONECT 2274 2262 2275 2282 +CONECT 2275 2274 2276 2278 2283 +CONECT 2276 2275 2277 2277 2293 +CONECT 2277 2276 2276 +CONECT 2278 2275 2279 2284 2285 +CONECT 2279 2278 2280 2281 2286 +CONECT 2280 2279 2287 2288 2289 +CONECT 2281 2279 2290 2291 2292 +CONECT 2282 2274 +CONECT 2283 2275 +CONECT 2284 2278 +CONECT 2285 2278 +CONECT 2286 2279 +CONECT 2287 2280 +CONECT 2288 2280 +CONECT 2289 2280 +CONECT 2290 2281 +CONECT 2291 2281 +CONECT 2292 2281 +CONECT 2293 2276 2294 2301 +CONECT 2294 2293 2295 2297 2302 +CONECT 2295 2294 2296 2296 2310 +CONECT 2296 2295 2295 +CONECT 2297 2294 2298 2303 2304 +CONECT 2298 2297 2299 2305 2306 +CONECT 2299 2298 2300 +CONECT 2300 2299 2307 2308 2309 +CONECT 2301 2293 +CONECT 2302 2294 +CONECT 2303 2297 +CONECT 2304 2297 +CONECT 2305 2298 +CONECT 2306 2298 +CONECT 2307 2300 +CONECT 2308 2300 +CONECT 2309 2300 +CONECT 2310 2295 2311 2318 +CONECT 2311 2310 2312 2314 2319 +CONECT 2312 2311 2313 2313 2329 +CONECT 2313 2312 2312 +CONECT 2314 2311 2315 2320 2321 +CONECT 2315 2314 2316 2317 2322 +CONECT 2316 2315 2323 2324 2325 +CONECT 2317 2315 2326 2327 2328 +CONECT 2318 2310 +CONECT 2319 2311 +CONECT 2320 2314 +CONECT 2321 2314 +CONECT 2322 2315 +CONECT 2323 2316 +CONECT 2324 2316 +CONECT 2325 2316 +CONECT 2326 2317 +CONECT 2327 2317 +CONECT 2328 2317 +CONECT 2329 2312 2330 2337 +CONECT 2330 2329 2331 2333 2338 +CONECT 2331 2330 2332 2332 2341 +CONECT 2332 2331 2331 +CONECT 2333 2330 2334 2339 2340 +CONECT 2334 2333 2335 2335 2336 +CONECT 2335 2334 2334 +CONECT 2336 2334 +CONECT 2337 2329 +CONECT 2338 2330 +CONECT 2339 2333 +CONECT 2340 2333 +CONECT 2341 2331 2342 2350 +CONECT 2342 2341 2343 2345 2351 +CONECT 2343 2342 2344 2344 2363 +CONECT 2344 2343 2343 +CONECT 2345 2342 2346 2352 2353 +CONECT 2346 2345 2347 2354 2355 +CONECT 2347 2346 2348 2356 2357 +CONECT 2348 2347 2349 2358 2359 +CONECT 2349 2348 2360 2361 2362 +CONECT 2350 2341 +CONECT 2351 2342 +CONECT 2352 2345 +CONECT 2353 2345 +CONECT 2354 2346 +CONECT 2355 2346 +CONECT 2356 2347 +CONECT 2357 2347 +CONECT 2358 2348 +CONECT 2359 2348 +CONECT 2360 2349 +CONECT 2361 2349 +CONECT 2362 2349 +CONECT 2363 2343 2364 2371 +CONECT 2364 2363 2365 2367 2372 +CONECT 2365 2364 2366 2366 2375 +CONECT 2366 2365 2365 +CONECT 2367 2364 2368 2373 2374 +CONECT 2368 2367 2369 2369 2370 +CONECT 2369 2368 2368 +CONECT 2370 2368 +CONECT 2371 2363 +CONECT 2372 2364 +CONECT 2373 2367 +CONECT 2374 2367 +CONECT 2375 2365 2376 2379 +CONECT 2376 2375 2377 2380 2381 +CONECT 2377 2376 2378 2378 2382 +CONECT 2378 2377 2377 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2420 2419 2421 2421 2440 +CONECT 2421 2420 2420 +CONECT 2422 2419 2423 2429 2430 +CONECT 2423 2422 2424 2431 2432 +CONECT 2424 2423 2425 2433 2434 +CONECT 2425 2424 2426 2435 2436 +CONECT 2426 2425 2437 2438 2439 +CONECT 2427 2418 +CONECT 2428 2419 +CONECT 2429 2422 +CONECT 2430 2422 +CONECT 2431 2423 +CONECT 2432 2423 +CONECT 2433 2424 +CONECT 2434 2424 +CONECT 2435 2425 +CONECT 2436 2425 +CONECT 2437 2426 +CONECT 2438 2426 +CONECT 2439 2426 +CONECT 2440 2420 2441 2448 +CONECT 2441 2440 2442 2444 2449 +CONECT 2442 2441 2443 2443 2459 +CONECT 2443 2442 2442 +CONECT 2444 2441 2445 2446 2450 +CONECT 2445 2444 2447 2451 2452 +CONECT 2446 2444 2453 2454 2455 +CONECT 2447 2445 2456 2457 2458 +CONECT 2448 2440 +CONECT 2449 2441 +CONECT 2450 2444 +CONECT 2451 2445 +CONECT 2452 2445 +CONECT 2453 2446 +CONECT 2454 2446 +CONECT 2455 2446 +CONECT 2456 2447 +CONECT 2457 2447 +CONECT 2458 2447 +CONECT 2459 2442 2460 2466 +CONECT 2460 2459 2461 2463 2467 +CONECT 2461 2460 2462 2462 2473 +CONECT 2462 2461 2461 +CONECT 2463 2460 2464 2465 2468 +CONECT 2464 2463 2470 2471 2472 +CONECT 2465 2463 2469 +CONECT 2466 2459 +CONECT 2467 2460 +CONECT 2468 2463 +CONECT 2469 2465 +CONECT 2470 2464 +CONECT 2471 2464 +CONECT 2472 2464 +CONECT 2473 2461 2474 2481 +CONECT 2474 2473 2475 2477 2482 +CONECT 2475 2474 2476 2476 2485 +CONECT 2476 2475 2475 +CONECT 2477 2474 2478 2483 2484 +CONECT 2478 2477 2479 2479 2480 +CONECT 2479 2478 2478 +CONECT 2480 2478 +CONECT 2481 2473 +CONECT 2482 2474 +CONECT 2483 2477 +CONECT 2484 2477 +CONECT 2485 2475 2486 2496 +CONECT 2486 2485 2487 2489 2497 +CONECT 2487 2486 2488 2488 2505 +CONECT 2488 2487 2487 +CONECT 2489 2486 2490 2498 2499 +CONECT 2490 2489 2491 2491 2492 +CONECT 2491 2490 2490 2493 2500 +CONECT 2492 2490 2494 2494 2501 +CONECT 2493 2491 2495 2495 2502 +CONECT 2494 2492 2492 2495 2503 +CONECT 2495 2493 2493 2494 2504 +CONECT 2496 2485 +CONECT 2497 2486 +CONECT 2498 2489 +CONECT 2499 2489 +CONECT 2500 2491 +CONECT 2501 2492 +CONECT 2502 2493 +CONECT 2503 2494 +CONECT 2504 2495 +CONECT 2505 2487 2506 2509 +CONECT 2506 2505 2507 2510 2511 +CONECT 2507 2506 2508 2508 2512 +CONECT 2508 2507 2507 +CONECT 2509 2505 +CONECT 2510 2506 +CONECT 2511 2506 +CONECT 2512 2507 2513 2520 +CONECT 2513 2512 2514 2516 2521 +CONECT 2514 2513 2515 2515 2531 +CONECT 2515 2514 2514 +CONECT 2516 2513 2517 2522 2523 +CONECT 2517 2516 2518 2519 2524 +CONECT 2518 2517 2525 2526 2527 +CONECT 2519 2517 2528 2529 2530 +CONECT 2520 2512 +CONECT 2521 2513 +CONECT 2522 2516 +CONECT 2523 2516 +CONECT 2524 2517 +CONECT 2525 2518 +CONECT 2526 2518 +CONECT 2527 2518 +CONECT 2528 2519 +CONECT 2529 2519 +CONECT 2530 2519 +CONECT 2531 2514 2532 2537 +CONECT 2532 2531 2533 2535 2538 +CONECT 2533 2532 2534 2534 2542 +CONECT 2534 2533 2533 +CONECT 2535 2532 2536 2539 2540 +CONECT 2536 2535 2541 +CONECT 2537 2531 +CONECT 2538 2532 +CONECT 2539 2535 +CONECT 2540 2535 +CONECT 2541 2536 +CONECT 2542 2533 2543 2551 +CONECT 2543 2542 2544 2546 2552 +CONECT 2544 2543 2545 2545 2564 +CONECT 2545 2544 2544 +CONECT 2546 2543 2547 2553 2554 +CONECT 2547 2546 2548 2555 2556 +CONECT 2548 2547 2549 2557 2558 +CONECT 2549 2548 2550 2559 2560 +CONECT 2550 2549 2561 2562 2563 +CONECT 2551 2542 +CONECT 2552 2543 +CONECT 2553 2546 +CONECT 2554 2546 +CONECT 2555 2547 +CONECT 2556 2547 +CONECT 2557 2548 +CONECT 2558 2548 +CONECT 2559 2549 +CONECT 2560 2549 +CONECT 2561 2550 +CONECT 2562 2550 +CONECT 2563 2550 +CONECT 2564 2544 2565 2573 +CONECT 2565 2564 2566 2568 2574 +CONECT 2566 2565 2567 2567 2579 +CONECT 2567 2566 2566 +CONECT 2568 2565 2569 2575 2576 +CONECT 2569 2568 2570 2577 2578 +CONECT 2570 2569 2571 2571 2572 +CONECT 2571 2570 2570 +CONECT 2572 2570 +CONECT 2573 2564 +CONECT 2574 2565 +CONECT 2575 2568 +CONECT 2576 2568 +CONECT 2577 2569 +CONECT 2578 2569 +CONECT 2579 2566 2580 2583 +CONECT 2580 2579 2581 2584 2585 +CONECT 2581 2580 2582 2582 2586 +CONECT 2582 2581 2581 +CONECT 2583 2579 +CONECT 2584 2580 +CONECT 2585 2580 +CONECT 2586 2581 2587 2594 +CONECT 2587 2586 2588 2590 2595 +CONECT 2588 2587 2589 2589 2605 +CONECT 2589 2588 2588 +CONECT 2590 2587 2591 2592 2596 +CONECT 2591 2590 2593 2597 2598 +CONECT 2592 2590 2599 2600 2601 +CONECT 2593 2591 2602 2603 2604 +CONECT 2594 2586 +CONECT 2595 2587 +CONECT 2596 2590 +CONECT 2597 2591 +CONECT 2598 2591 +CONECT 2599 2592 +CONECT 2600 2592 +CONECT 2601 2592 +CONECT 2602 2593 +CONECT 2603 2593 +CONECT 2604 2593 +CONECT 2605 2588 2606 2614 +CONECT 2606 2605 2607 2609 2615 +CONECT 2607 2606 2608 2608 2627 +CONECT 2608 2607 2607 +CONECT 2609 2606 2610 2616 2617 +CONECT 2610 2609 2611 2618 2619 +CONECT 2611 2610 2612 2620 2621 +CONECT 2612 2611 2613 2622 2623 +CONECT 2613 2612 2624 2625 2626 +CONECT 2614 2605 +CONECT 2615 2606 +CONECT 2616 2609 +CONECT 2617 2609 +CONECT 2618 2610 +CONECT 2619 2610 +CONECT 2620 2611 +CONECT 2621 2611 +CONECT 2622 2612 +CONECT 2623 2612 +CONECT 2624 2613 +CONECT 2625 2613 +CONECT 2626 2613 +CONECT 2627 2607 2628 2635 +CONECT 2628 2627 2629 2631 2636 +CONECT 2629 2628 2630 2630 2639 +CONECT 2630 2629 2629 +CONECT 2631 2628 2632 2637 2638 +CONECT 2632 2631 2633 2633 2634 +CONECT 2633 2632 2632 +CONECT 2634 2632 +CONECT 2635 2627 +CONECT 2636 2628 +CONECT 2637 2631 +CONECT 2638 2631 +CONECT 2639 2629 2640 2643 +CONECT 2640 2639 2641 2644 2645 +CONECT 2641 2640 2642 2642 2646 +CONECT 2642 2641 2641 +CONECT 2643 2639 +CONECT 2644 2640 +CONECT 2645 2640 +CONECT 2646 2641 2647 2651 +CONECT 2647 2646 2648 2650 2652 +CONECT 2648 2647 2649 2649 2656 +CONECT 2649 2648 2648 +CONECT 2650 2647 2653 2654 2655 +CONECT 2651 2646 +CONECT 2652 2647 +CONECT 2653 2650 +CONECT 2654 2650 +CONECT 2655 2650 +CONECT 2656 2648 2657 2663 +CONECT 2657 2656 2658 2660 2664 +CONECT 2658 2657 2659 2659 2670 +CONECT 2659 2658 2658 +CONECT 2660 2657 2661 2662 2665 +CONECT 2661 2660 2667 2668 2669 +CONECT 2662 2660 2666 +CONECT 2663 2656 +CONECT 2664 2657 +CONECT 2665 2660 +CONECT 2666 2662 +CONECT 2667 2661 +CONECT 2668 2661 +CONECT 2669 2661 +CONECT 2670 2658 2671 2678 +CONECT 2671 2670 2672 2674 2679 +CONECT 2672 2671 2673 2673 2687 +CONECT 2673 2672 2672 +CONECT 2674 2671 2675 2680 2681 +CONECT 2675 2674 2676 2682 2683 +CONECT 2676 2675 2677 +CONECT 2677 2676 2684 2685 2686 +CONECT 2678 2670 +CONECT 2679 2671 +CONECT 2680 2674 +CONECT 2681 2674 +CONECT 2682 2675 +CONECT 2683 2675 +CONECT 2684 2677 +CONECT 2685 2677 +CONECT 2686 2677 +CONECT 2687 2672 2688 2696 +CONECT 2688 2687 2689 2691 2697 +CONECT 2689 2688 2690 2690 2709 +CONECT 2690 2689 2689 +CONECT 2691 2688 2692 2698 2699 +CONECT 2692 2691 2693 2700 2701 +CONECT 2693 2692 2694 2702 2703 +CONECT 2694 2693 2695 2704 2705 +CONECT 2695 2694 2706 2707 2708 +CONECT 2696 2687 +CONECT 2697 2688 +CONECT 2698 2691 +CONECT 2699 2691 +CONECT 2700 2692 +CONECT 2701 2692 +CONECT 2702 2693 +CONECT 2703 2693 +CONECT 2704 2694 +CONECT 2705 2694 +CONECT 2706 2695 +CONECT 2707 2695 +CONECT 2708 2695 +CONECT 2709 2689 2710 2720 +CONECT 2710 2709 2711 2713 2721 +CONECT 2711 2710 2712 2712 2726 +CONECT 2712 2711 2711 +CONECT 2713 2710 2714 2715 2722 +CONECT 2714 2713 2723 2724 2725 +CONECT 2715 2713 2716 +CONECT 2716 2715 2717 2718 2719 +CONECT 2717 2716 +CONECT 2718 2716 +CONECT 2719 2716 +CONECT 2720 2709 +CONECT 2721 2710 +CONECT 2722 2713 +CONECT 2723 2714 +CONECT 2724 2714 +CONECT 2725 2714 +CONECT 2726 2711 2727 2737 +CONECT 2727 2726 2728 2730 2738 +CONECT 2728 2727 2729 2729 2746 +CONECT 2729 2728 2728 +CONECT 2730 2727 2731 2739 2740 +CONECT 2731 2730 2732 2732 2733 +CONECT 2732 2731 2731 2734 2741 +CONECT 2733 2731 2735 2735 2742 +CONECT 2734 2732 2736 2736 2743 +CONECT 2735 2733 2733 2736 2744 +CONECT 2736 2734 2734 2735 2745 +CONECT 2737 2726 +CONECT 2738 2727 +CONECT 2739 2730 +CONECT 2740 2730 +CONECT 2741 2732 +CONECT 2742 2733 +CONECT 2743 2734 +CONECT 2744 2735 +CONECT 2745 2736 +CONECT 2746 2728 2747 2752 +CONECT 2747 2746 2748 2750 2753 +CONECT 2748 2747 2749 2749 2757 +CONECT 2749 2748 2748 +CONECT 2750 2747 2751 2754 2755 +CONECT 2751 2750 2756 +CONECT 2752 2746 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2795 2807 +CONECT 2795 2794 2794 +CONECT 2796 2793 2797 2803 2804 +CONECT 2797 2796 2798 2805 2806 +CONECT 2798 2797 2799 2799 2800 +CONECT 2799 2798 2798 +CONECT 2800 2798 +CONECT 2801 2792 +CONECT 2802 2793 +CONECT 2803 2796 +CONECT 2804 2796 +CONECT 2805 2797 +CONECT 2806 2797 +CONECT 2807 2794 2808 2819 +CONECT 2808 2807 2809 2811 2820 +CONECT 2809 2808 2810 2810 2828 +CONECT 2810 2809 2809 +CONECT 2811 2808 2812 2821 2822 +CONECT 2812 2811 2813 2813 2814 +CONECT 2813 2812 2812 2815 2823 +CONECT 2814 2812 2816 2816 2824 +CONECT 2815 2813 2817 2817 2825 +CONECT 2816 2814 2814 2817 2826 +CONECT 2817 2815 2815 2816 2818 +CONECT 2818 2817 2827 +CONECT 2819 2807 +CONECT 2820 2808 +CONECT 2821 2811 +CONECT 2822 2811 +CONECT 2823 2813 +CONECT 2824 2814 +CONECT 2825 2815 +CONECT 2826 2816 +CONECT 2827 2818 +CONECT 2828 2809 2829 2836 +CONECT 2829 2828 2830 2832 2837 +CONECT 2830 2829 2831 2831 2847 +CONECT 2831 2830 2830 +CONECT 2832 2829 2833 2838 2839 +CONECT 2833 2832 2834 2835 2840 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2909 +CONECT 2919 2909 +CONECT 2920 2909 +CONECT 2921 2904 2922 2930 +CONECT 2922 2921 2923 2925 2931 +CONECT 2923 2922 2924 2924 2936 +CONECT 2924 2923 2923 +CONECT 2925 2922 2926 2932 2933 +CONECT 2926 2925 2927 2934 2935 +CONECT 2927 2926 2928 2928 2929 +CONECT 2928 2927 2927 +CONECT 2929 2927 +CONECT 2930 2921 +CONECT 2931 2922 +CONECT 2932 2925 +CONECT 2933 2925 +CONECT 2934 2926 +CONECT 2935 2926 +CONECT 2936 2923 2937 2944 +CONECT 2937 2936 2938 2940 2945 +CONECT 2938 2937 2939 2939 2948 +CONECT 2939 2938 2938 +CONECT 2940 2937 2941 2946 2947 +CONECT 2941 2940 2942 2942 2943 +CONECT 2942 2941 2941 +CONECT 2943 2941 +CONECT 2944 2936 +CONECT 2945 2937 +CONECT 2946 2940 +CONECT 2947 2940 +CONECT 2948 2938 2949 2956 +CONECT 2949 2948 2950 2952 2957 +CONECT 2950 2949 2951 2951 2962 +CONECT 2951 2950 2950 +CONECT 2952 2949 2953 2958 2959 +CONECT 2953 2952 2954 2955 2955 +CONECT 2954 2953 2960 2961 +CONECT 2955 2953 2953 +CONECT 2956 2948 +CONECT 2957 2949 +CONECT 2958 2952 +CONECT 2959 2952 +CONECT 2960 2954 +CONECT 2961 2954 +CONECT 2962 2950 2963 2970 +CONECT 2963 2962 2964 2966 2971 +CONECT 2964 2963 2965 2965 2974 +CONECT 2965 2964 2964 +CONECT 2966 2963 2967 2972 2973 +CONECT 2967 2966 2968 2968 2969 +CONECT 2968 2967 2967 +CONECT 2969 2967 +CONECT 2970 2962 +CONECT 2971 2963 +CONECT 2972 2966 +CONECT 2973 2966 +CONECT 2974 2964 2975 2986 +CONECT 2975 2974 2976 2978 2987 +CONECT 2976 2975 2977 2977 2995 +CONECT 2977 2976 2976 +CONECT 2978 2975 2979 2988 2989 +CONECT 2979 2978 2980 2980 2981 +CONECT 2980 2979 2979 2982 2990 +CONECT 2981 2979 2983 2983 2991 +CONECT 2982 2980 2984 2984 2992 +CONECT 2983 2981 2981 2984 2993 +CONECT 2984 2982 2982 2983 2985 +CONECT 2985 2984 2994 +CONECT 2986 2974 +CONECT 2987 2975 +CONECT 2988 2978 +CONECT 2989 2978 +CONECT 2990 2980 +CONECT 2991 2981 +CONECT 2992 2982 +CONECT 2993 2983 +CONECT 2994 2985 +CONECT 2995 2976 2996 2999 +CONECT 2996 2995 2997 3000 3001 +CONECT 2997 2996 2998 2998 3002 +CONECT 2998 2997 2997 +CONECT 2999 2995 +CONECT 3000 2996 +CONECT 3001 2996 +CONECT 3002 2997 3003 3013 +CONECT 3003 3002 3004 3006 3014 +CONECT 3004 3003 3005 3005 3026 +CONECT 3005 3004 3004 +CONECT 3006 3003 3007 3015 3016 +CONECT 3007 3006 3008 3017 3018 +CONECT 3008 3007 3009 3019 3020 +CONECT 3009 3008 3010 3021 +CONECT 3010 3009 3011 3011 3012 +CONECT 3011 3010 3010 3022 3023 +CONECT 3012 3010 3024 3025 +CONECT 3013 3002 +CONECT 3014 3003 +CONECT 3015 3006 +CONECT 3016 3006 +CONECT 3017 3007 +CONECT 3018 3007 +CONECT 3019 3008 +CONECT 3020 3008 +CONECT 3021 3009 +CONECT 3022 3011 +CONECT 3023 3011 +CONECT 3024 3012 +CONECT 3025 3012 +CONECT 3026 3004 3027 3031 +CONECT 3027 3026 3028 3030 3032 +CONECT 3028 3027 3029 3029 3036 +CONECT 3029 3028 3028 +CONECT 3030 3027 3033 3034 3035 +CONECT 3031 3026 +CONECT 3032 3027 +CONECT 3033 3030 +CONECT 3034 3030 +CONECT 3035 3030 +CONECT 3036 3028 3037 3043 +CONECT 3037 3036 3038 3040 3044 +CONECT 3038 3037 3039 3039 3052 +CONECT 3039 3038 3038 +CONECT 3040 3037 3041 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3245 3237 +CONECT 3246 3237 +CONECT 3247 3232 3248 3255 +CONECT 3248 3247 3249 3251 3256 +CONECT 3249 3248 3250 3250 3264 +CONECT 3250 3249 3249 +CONECT 3251 3248 3252 3257 3258 +CONECT 3252 3251 3253 3259 3260 +CONECT 3253 3252 3254 +CONECT 3254 3253 3261 3262 3263 +CONECT 3255 3247 +CONECT 3256 3248 +CONECT 3257 3251 +CONECT 3258 3251 +CONECT 3259 3252 +CONECT 3260 3252 +CONECT 3261 3254 +CONECT 3262 3254 +CONECT 3263 3254 +CONECT 3264 3249 3265 3270 +CONECT 3265 3264 3266 3268 3271 +CONECT 3266 3265 3267 3267 3275 +CONECT 3267 3266 3266 +CONECT 3268 3265 3269 3272 3273 +CONECT 3269 3268 3274 +CONECT 3270 3264 +CONECT 3271 3265 +CONECT 3272 3268 +CONECT 3273 3268 +CONECT 3274 3269 +CONECT 3275 3266 3276 3279 +CONECT 3276 3275 3277 3280 3281 +CONECT 3277 3276 3278 3278 3282 +CONECT 3278 3277 3277 +CONECT 3279 3275 +CONECT 3280 3276 +CONECT 3281 3276 +CONECT 3282 3277 3283 3293 +CONECT 3283 3282 3284 3286 3294 +CONECT 3284 3283 3285 3285 3306 +CONECT 3285 3284 3284 +CONECT 3286 3283 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3365 3369 3369 3377 +CONECT 3368 3366 3366 3369 3378 +CONECT 3369 3367 3367 3368 3370 +CONECT 3370 3369 3379 +CONECT 3371 3359 +CONECT 3372 3360 +CONECT 3373 3363 +CONECT 3374 3363 +CONECT 3375 3365 +CONECT 3376 3366 +CONECT 3377 3367 +CONECT 3378 3368 +CONECT 3379 3370 +CONECT 3380 3361 3381 3388 +CONECT 3381 3380 3382 3384 3389 +CONECT 3382 3381 3383 3383 3394 +CONECT 3383 3382 3382 +CONECT 3384 3381 3385 3390 3391 +CONECT 3385 3384 3386 3387 3387 +CONECT 3386 3385 3392 3393 +CONECT 3387 3385 3385 +CONECT 3388 3380 +CONECT 3389 3381 +CONECT 3390 3384 +CONECT 3391 3384 +CONECT 3392 3386 +CONECT 3393 3386 +CONECT 3394 3382 3395 3403 +CONECT 3395 3394 3396 3398 3404 +CONECT 3396 3395 3397 3397 3411 +CONECT 3397 3396 3396 +CONECT 3398 3395 3399 3405 3406 +CONECT 3399 3398 3400 3407 3408 +CONECT 3400 3399 3401 3402 3402 +CONECT 3401 3400 3409 3410 +CONECT 3402 3400 3400 +CONECT 3403 3394 +CONECT 3404 3395 +CONECT 3405 3398 +CONECT 3406 3398 +CONECT 3407 3399 +CONECT 3408 3399 +CONECT 3409 3401 +CONECT 3410 3401 +CONECT 3411 3396 3412 3419 +CONECT 3412 3411 3413 3415 3420 +CONECT 3413 3412 3414 3414 3423 +CONECT 3414 3413 3413 +CONECT 3415 3412 3416 3421 3422 +CONECT 3416 3415 3417 3417 3418 +CONECT 3417 3416 3416 +CONECT 3418 3416 +CONECT 3419 3411 +CONECT 3420 3412 +CONECT 3421 3415 +CONECT 3422 3415 +CONECT 3423 3413 3424 3433 +CONECT 3424 3423 3425 3427 3434 +CONECT 3425 3424 3426 3426 3440 +CONECT 3426 3425 3425 +CONECT 3427 3424 3428 3435 3436 +CONECT 3428 3427 3429 3429 3430 +CONECT 3429 3428 3428 3432 3438 +CONECT 3430 3428 3431 3437 +CONECT 3431 3430 3432 3432 3439 +CONECT 3432 3429 3431 3431 +CONECT 3433 3423 +CONECT 3434 3424 +CONECT 3435 3427 +CONECT 3436 3427 +CONECT 3437 3430 +CONECT 3438 3429 +CONECT 3439 3431 +CONECT 3440 3425 3441 3449 +CONECT 3441 3440 3442 3444 3450 +CONECT 3442 3441 3443 3443 3455 +CONECT 3443 3442 3442 +CONECT 3444 3441 3445 3451 3452 +CONECT 3445 3444 3446 3453 3454 +CONECT 3446 3445 3447 3447 3448 +CONECT 3447 3446 3446 +CONECT 3448 3446 +CONECT 3449 3440 +CONECT 3450 3441 +CONECT 3451 3444 +CONECT 3452 3444 +CONECT 3453 3445 +CONECT 3454 3445 +CONECT 3455 3442 3456 3464 +CONECT 3456 3455 3457 3459 3465 +CONECT 3457 3456 3458 3458 3477 +CONECT 3458 3457 3457 +CONECT 3459 3456 3460 3466 3467 +CONECT 3460 3459 3461 3468 3469 +CONECT 3461 3460 3462 3470 3471 +CONECT 3462 3461 3463 3472 3473 +CONECT 3463 3462 3474 3475 3476 +CONECT 3464 3455 +CONECT 3465 3456 +CONECT 3466 3459 +CONECT 3467 3459 +CONECT 3468 3460 +CONECT 3469 3460 +CONECT 3470 3461 +CONECT 3471 3461 +CONECT 3472 3462 +CONECT 3473 3462 +CONECT 3474 3463 +CONECT 3475 3463 +CONECT 3476 3463 +CONECT 3477 3457 3478 3485 +CONECT 3478 3477 3479 3481 3486 +CONECT 3479 3478 3480 3480 3496 +CONECT 3480 3479 3479 +CONECT 3481 3478 3482 3487 3488 +CONECT 3482 3481 3483 3484 3489 +CONECT 3483 3482 3490 3491 3492 +CONECT 3484 3482 3493 3494 3495 +CONECT 3485 3477 +CONECT 3486 3478 +CONECT 3487 3481 +CONECT 3488 3481 +CONECT 3489 3482 +CONECT 3490 3483 +CONECT 3491 3483 +CONECT 3492 3483 +CONECT 3493 3484 +CONECT 3494 3484 +CONECT 3495 3484 +CONECT 3496 3479 3497 3507 +CONECT 3497 3496 3498 3500 3508 +CONECT 3498 3497 3499 3499 3516 +CONECT 3499 3498 3498 +CONECT 3500 3497 3501 3509 3510 +CONECT 3501 3500 3502 3502 3503 +CONECT 3502 3501 3501 3504 3511 +CONECT 3503 3501 3505 3505 3512 +CONECT 3504 3502 3506 3506 3513 +CONECT 3505 3503 3503 3506 3514 +CONECT 3506 3504 3504 3505 3515 +CONECT 3507 3496 +CONECT 3508 3497 +CONECT 3509 3500 +CONECT 3510 3500 +CONECT 3511 3502 +CONECT 3512 3503 +CONECT 3513 3504 +CONECT 3514 3505 +CONECT 3515 3506 +CONECT 3516 3498 3517 3525 +CONECT 3517 3516 3518 3520 3526 +CONECT 3518 3517 3519 3519 3531 +CONECT 3519 3518 3518 +CONECT 3520 3517 3521 3527 3528 +CONECT 3521 3520 3522 3529 3530 +CONECT 3522 3521 3523 3523 3524 +CONECT 3523 3522 3522 +CONECT 3524 3522 +CONECT 3525 3516 +CONECT 3526 3517 +CONECT 3527 3520 +CONECT 3528 3520 +CONECT 3529 3521 +CONECT 3530 3521 +CONECT 3531 3518 3532 3539 +CONECT 3532 3531 3533 3535 3540 +CONECT 3533 3532 3534 3534 3550 +CONECT 3534 3533 3533 +CONECT 3535 3532 3536 3541 3542 +CONECT 3536 3535 3537 3538 3543 +CONECT 3537 3536 3544 3545 3546 +CONECT 3538 3536 3547 3548 3549 +CONECT 3539 3531 +CONECT 3540 3532 +CONECT 3541 3535 +CONECT 3542 3535 +CONECT 3543 3536 +CONECT 3544 3537 +CONECT 3545 3537 +CONECT 3546 3537 +CONECT 3547 3538 +CONECT 3548 3538 +CONECT 3549 3538 +CONECT 3550 3533 3551 3558 +CONECT 3551 3550 3552 3554 3559 +CONECT 3552 3551 3553 3553 3569 +CONECT 3553 3552 3552 +CONECT 3554 3551 3555 3556 3560 +CONECT 3555 3554 3557 3561 3562 +CONECT 3556 3554 3563 3564 3565 +CONECT 3557 3555 3566 3567 3568 +CONECT 3558 3550 +CONECT 3559 3551 +CONECT 3560 3554 +CONECT 3561 3555 +CONECT 3562 3555 +CONECT 3563 3556 +CONECT 3564 3556 +CONECT 3565 3556 +CONECT 3566 3557 +CONECT 3567 3557 +CONECT 3568 3557 +CONECT 3569 3552 3570 3577 +CONECT 3570 3569 3571 3573 3578 +CONECT 3571 3570 3572 3572 3588 +CONECT 3572 3571 3571 +CONECT 3573 3570 3574 3579 3580 +CONECT 3574 3573 3575 3576 3581 +CONECT 3575 3574 3582 3583 3584 +CONECT 3576 3574 3585 3586 3587 +CONECT 3577 3569 +CONECT 3578 3570 +CONECT 3579 3573 +CONECT 3580 3573 +CONECT 3581 3574 +CONECT 3582 3575 +CONECT 3583 3575 +CONECT 3584 3575 +CONECT 3585 3576 +CONECT 3586 3576 +CONECT 3587 3576 +CONECT 3588 3571 3589 3596 +CONECT 3589 3588 3590 3592 3597 +CONECT 3590 3589 3591 3591 3605 +CONECT 3591 3590 3590 +CONECT 3592 3589 3593 3598 3599 +CONECT 3593 3592 3594 3600 3601 +CONECT 3594 3593 3595 +CONECT 3595 3594 3602 3603 3604 +CONECT 3596 3588 +CONECT 3597 3589 +CONECT 3598 3592 +CONECT 3599 3592 +CONECT 3600 3593 +CONECT 3601 3593 +CONECT 3602 3595 +CONECT 3603 3595 +CONECT 3604 3595 +CONECT 3605 3590 3606 3614 +CONECT 3606 3605 3607 3609 3615 +CONECT 3607 3606 3608 3608 3620 +CONECT 3608 3607 3607 +CONECT 3609 3606 3610 3616 3617 +CONECT 3610 3609 3611 3618 3619 +CONECT 3611 3610 3612 3612 3613 +CONECT 3612 3611 3611 +CONECT 3613 3611 +CONECT 3614 3605 +CONECT 3615 3606 +CONECT 3616 3609 +CONECT 3617 3609 +CONECT 3618 3610 +CONECT 3619 3610 +CONECT 3620 3607 3621 3629 +CONECT 3621 3620 3622 3624 3630 +CONECT 3622 3621 3623 3623 3635 +CONECT 3623 3622 3622 +CONECT 3624 3621 3625 3631 3632 +CONECT 3625 3624 3626 3633 3634 +CONECT 3626 3625 3627 3627 3628 +CONECT 3627 3626 3626 +CONECT 3628 3626 +CONECT 3629 3620 +CONECT 3630 3621 +CONECT 3631 3624 +CONECT 3632 3624 +CONECT 3633 3625 +CONECT 3634 3625 +CONECT 3635 3622 3636 3643 +CONECT 3636 3635 3637 3639 3644 +CONECT 3637 3636 3638 3638 3654 +CONECT 3638 3637 3637 +CONECT 3639 3636 3640 3641 3645 +CONECT 3640 3639 3642 3646 3647 +CONECT 3641 3639 3648 3649 3650 +CONECT 3642 3640 3651 3652 3653 +CONECT 3643 3635 +CONECT 3644 3636 +CONECT 3645 3639 +CONECT 3646 3640 +CONECT 3647 3640 +CONECT 3648 3641 +CONECT 3649 3641 +CONECT 3650 3641 +CONECT 3651 3642 +CONECT 3652 3642 +CONECT 3653 3642 +CONECT 3654 3637 3655 3665 +CONECT 3655 3654 3656 3658 3666 +CONECT 3656 3655 3657 3657 3678 +CONECT 3657 3656 3656 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3699 3698 3700 3702 3705 +CONECT 3700 3699 3701 3701 3712 +CONECT 3701 3700 3700 +CONECT 3702 3699 3703 3706 3707 +CONECT 3703 3702 3704 3708 3709 +CONECT 3704 3698 3703 3710 3711 +CONECT 3705 3699 +CONECT 3706 3702 +CONECT 3707 3702 +CONECT 3708 3703 +CONECT 3709 3703 +CONECT 3710 3704 +CONECT 3711 3704 +CONECT 3712 3700 3713 3723 +CONECT 3713 3712 3714 3716 3724 +CONECT 3714 3713 3715 3715 3736 +CONECT 3715 3714 3714 +CONECT 3716 3713 3717 3725 3726 +CONECT 3717 3716 3718 3727 3728 +CONECT 3718 3717 3719 3729 3730 +CONECT 3719 3718 3720 3731 +CONECT 3720 3719 3721 3721 3722 +CONECT 3721 3720 3720 3732 3733 +CONECT 3722 3720 3734 3735 +CONECT 3723 3712 +CONECT 3724 3713 +CONECT 3725 3716 +CONECT 3726 3716 +CONECT 3727 3717 +CONECT 3728 3717 +CONECT 3729 3718 +CONECT 3730 3718 +CONECT 3731 3719 +CONECT 3732 3721 +CONECT 3733 3721 +CONECT 3734 3722 +CONECT 3735 3722 +CONECT 3736 3714 3737 3743 +CONECT 3737 3736 3738 3740 3744 +CONECT 3738 3737 3739 3739 3750 +CONECT 3739 3738 3738 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3782 3786 3787 +CONECT 3782 3776 3781 3788 3789 +CONECT 3783 3777 +CONECT 3784 3780 +CONECT 3785 3780 +CONECT 3786 3781 +CONECT 3787 3781 +CONECT 3788 3782 +CONECT 3789 3782 +CONECT 3790 3778 3791 3799 +CONECT 3791 3790 3792 3794 3800 +CONECT 3792 3791 3793 3793 3805 +CONECT 3793 3792 3792 +CONECT 3794 3791 3795 3801 3802 +CONECT 3795 3794 3796 3803 3804 +CONECT 3796 3795 3797 3797 3798 +CONECT 3797 3796 3796 +CONECT 3798 3796 +CONECT 3799 3790 +CONECT 3800 3791 +CONECT 3801 3794 +CONECT 3802 3794 +CONECT 3803 3795 +CONECT 3804 3795 +CONECT 3805 3792 3806 3810 +CONECT 3806 3805 3807 3809 3811 +CONECT 3807 3806 3808 3808 3815 +CONECT 3808 3807 3807 +CONECT 3809 3806 3812 3813 3814 +CONECT 3810 3805 +CONECT 3811 3806 +CONECT 3812 3809 +CONECT 3813 3809 +CONECT 3814 3809 +CONECT 3815 3807 3816 3824 +CONECT 3816 3815 3817 3819 3825 +CONECT 3817 3816 3818 3818 3837 +CONECT 3818 3817 3817 +CONECT 3819 3816 3820 3826 3827 +CONECT 3820 3819 3821 3828 3829 +CONECT 3821 3820 3822 3830 3831 +CONECT 3822 3821 3823 3832 3833 +CONECT 3823 3822 3834 3835 3836 +CONECT 3824 3815 +CONECT 3825 3816 +CONECT 3826 3819 +CONECT 3827 3819 +CONECT 3828 3820 +CONECT 3829 3820 +CONECT 3830 3821 +CONECT 3831 3821 +CONECT 3832 3822 +CONECT 3833 3822 +CONECT 3834 3823 +CONECT 3835 3823 +CONECT 3836 3823 +CONECT 3837 3817 3838 3843 +CONECT 3838 3837 3839 3841 3844 +CONECT 3839 3838 3840 3840 3848 +CONECT 3840 3839 3839 +CONECT 3841 3838 3842 3845 3846 +CONECT 3842 3841 3847 +CONECT 3843 3837 +CONECT 3844 3838 +CONECT 3845 3841 +CONECT 3846 3841 +CONECT 3847 3842 +CONECT 3848 3839 3849 3856 +CONECT 3849 3848 3850 3852 3857 +CONECT 3850 3849 3851 3851 3867 +CONECT 3851 3850 3850 +CONECT 3852 3849 3853 3858 3859 +CONECT 3853 3852 3854 3855 3860 +CONECT 3854 3853 3861 3862 3863 +CONECT 3855 3853 3864 3865 3866 +CONECT 3856 3848 +CONECT 3857 3849 +CONECT 3858 3852 +CONECT 3859 3852 +CONECT 3860 3853 +CONECT 3861 3854 +CONECT 3862 3854 +CONECT 3863 3854 +CONECT 3864 3855 +CONECT 3865 3855 +CONECT 3866 3855 +CONECT 3867 3850 3868 3875 +CONECT 3868 3867 3869 3871 3876 +CONECT 3869 3868 3870 3870 3886 +CONECT 3870 3869 3869 +CONECT 3871 3868 3872 3877 3878 +CONECT 3872 3871 3873 3874 3879 +CONECT 3873 3872 3880 3881 3882 +CONECT 3874 3872 3883 3884 3885 +CONECT 3875 3867 +CONECT 3876 3868 +CONECT 3877 3871 +CONECT 3878 3871 +CONECT 3879 3872 +CONECT 3880 3873 +CONECT 3881 3873 +CONECT 3882 3873 +CONECT 3883 3874 +CONECT 3884 3874 +CONECT 3885 3874 +CONECT 3886 3869 3887 3892 +CONECT 3887 3886 3888 3890 3893 +CONECT 3888 3887 3889 3889 3897 +CONECT 3889 3888 3888 +CONECT 3890 3887 3891 3894 3895 +CONECT 3891 3890 3896 +CONECT 3892 3886 +CONECT 3893 3887 +CONECT 3894 3890 +CONECT 3895 3890 +CONECT 3896 3891 +CONECT 3897 3888 3898 3901 +CONECT 3898 3897 3899 3902 3903 +CONECT 3899 3898 3900 3900 3904 +CONECT 3900 3899 3899 +CONECT 3901 3897 +CONECT 3902 3898 +CONECT 3903 3898 +CONECT 3904 3899 3905 3912 +CONECT 3905 3904 3906 3908 3913 +CONECT 3906 3905 3907 3907 3923 +CONECT 3907 3906 3906 +CONECT 3908 3905 3909 3914 3915 +CONECT 3909 3908 3910 3911 3916 +CONECT 3910 3909 3917 3918 3919 +CONECT 3911 3909 3920 3921 3922 +CONECT 3912 3904 +CONECT 3913 3905 +CONECT 3914 3908 +CONECT 3915 3908 +CONECT 3916 3909 +CONECT 3917 3910 +CONECT 3918 3910 +CONECT 3919 3910 +CONECT 3920 3911 +CONECT 3921 3911 +CONECT 3922 3911 +CONECT 3923 3906 3924 3931 +CONECT 3924 3923 3925 3927 3932 +CONECT 3925 3924 3926 3926 3942 +CONECT 3926 3925 3925 +CONECT 3927 3924 3928 3933 3934 +CONECT 3928 3927 3929 3930 3935 +CONECT 3929 3928 3936 3937 3938 +CONECT 3930 3928 3939 3940 3941 +CONECT 3931 3923 +CONECT 3932 3924 +CONECT 3933 3927 +CONECT 3934 3927 +CONECT 3935 3928 +CONECT 3936 3929 +CONECT 3937 3929 +CONECT 3938 3929 +CONECT 3939 3930 +CONECT 3940 3930 +CONECT 3941 3930 +CONECT 3942 3925 3943 3951 +CONECT 3943 3942 3944 3946 3952 +CONECT 3944 3943 3945 3945 3964 +CONECT 3945 3944 3944 +CONECT 3946 3943 3947 3953 3954 +CONECT 3947 3946 3948 3955 3956 +CONECT 3948 3947 3949 3957 3958 +CONECT 3949 3948 3950 3959 3960 +CONECT 3950 3949 3961 3962 3963 +CONECT 3951 3942 +CONECT 3952 3943 +CONECT 3953 3946 +CONECT 3954 3946 +CONECT 3955 3947 +CONECT 3956 3947 +CONECT 3957 3948 +CONECT 3958 3948 +CONECT 3959 3949 +CONECT 3960 3949 +CONECT 3961 3950 +CONECT 3962 3950 +CONECT 3963 3950 +CONECT 3964 3944 3965 3973 +CONECT 3965 3964 3966 3968 3974 +CONECT 3966 3965 3967 3967 3986 +CONECT 3967 3966 3966 +CONECT 3968 3965 3969 3975 3976 +CONECT 3969 3968 3970 3977 3978 +CONECT 3970 3969 3971 3979 3980 +CONECT 3971 3970 3972 3981 3982 +CONECT 3972 3971 3983 3984 3985 +CONECT 3973 3964 +CONECT 3974 3965 +CONECT 3975 3968 +CONECT 3976 3968 +CONECT 3977 3969 +CONECT 3978 3969 +CONECT 3979 3970 +CONECT 3980 3970 +CONECT 3981 3971 +CONECT 3982 3971 +CONECT 3983 3972 +CONECT 3984 3972 +CONECT 3985 3972 +CONECT 3986 3966 3987 3994 +CONECT 3987 3986 3988 3990 3995 +CONECT 3988 3987 3989 3989 3998 +CONECT 3989 3988 3988 +CONECT 3990 3987 3991 3996 3997 +CONECT 3991 3990 3992 3992 3993 +CONECT 3992 3991 3991 +CONECT 3993 3991 +CONECT 3994 3986 +CONECT 3995 3987 +CONECT 3996 3990 +CONECT 3997 3990 +CONECT 3998 3988 3999 4004 +CONECT 3999 3998 4000 4002 4005 +CONECT 4000 3999 4001 4001 4012 +CONECT 4001 4000 4000 +CONECT 4002 3999 4003 4006 4007 +CONECT 4003 4002 4004 4008 4009 +CONECT 4004 3998 4003 4010 4011 +CONECT 4005 3999 +CONECT 4006 4002 +CONECT 4007 4002 +CONECT 4008 4003 +CONECT 4009 4003 +CONECT 4010 4004 +CONECT 4011 4004 +CONECT 4012 4000 4013 4021 +CONECT 4013 4012 4014 4016 4022 +CONECT 4014 4013 4015 4015 4034 +CONECT 4015 4014 4014 +CONECT 4016 4013 4017 4023 4024 +CONECT 4017 4016 4018 4025 4026 +CONECT 4018 4017 4019 4027 4028 +CONECT 4019 4018 4020 4029 4030 +CONECT 4020 4019 4031 4032 4033 +CONECT 4021 4012 +CONECT 4022 4013 +CONECT 4023 4016 +CONECT 4024 4016 +CONECT 4025 4017 +CONECT 4026 4017 +CONECT 4027 4018 +CONECT 4028 4018 +CONECT 4029 4019 +CONECT 4030 4019 +CONECT 4031 4020 +CONECT 4032 4020 +CONECT 4033 4020 +CONECT 4034 4014 4035 4043 +CONECT 4035 4034 4036 4038 4044 +CONECT 4036 4035 4037 4037 4051 +CONECT 4037 4036 4036 +CONECT 4038 4035 4039 4045 4046 +CONECT 4039 4038 4040 4047 4048 +CONECT 4040 4039 4041 4042 4042 +CONECT 4041 4040 4049 4050 +CONECT 4042 4040 4040 +CONECT 4043 4034 +CONECT 4044 4035 +CONECT 4045 4038 +CONECT 4046 4038 +CONECT 4047 4039 +CONECT 4048 4039 +CONECT 4049 4041 +CONECT 4050 4041 +CONECT 4051 4036 4052 4062 +CONECT 4052 4051 4053 4055 4063 +CONECT 4053 4052 4054 4054 4075 +CONECT 4054 4053 4053 +CONECT 4055 4052 4056 4064 4065 +CONECT 4056 4055 4057 4066 4067 +CONECT 4057 4056 4058 4068 4069 +CONECT 4058 4057 4059 4070 +CONECT 4059 4058 4060 4060 4061 +CONECT 4060 4059 4059 4071 4072 +CONECT 4061 4059 4073 4074 +CONECT 4062 4051 +CONECT 4063 4052 +CONECT 4064 4055 +CONECT 4065 4055 +CONECT 4066 4056 +CONECT 4067 4056 +CONECT 4068 4057 +CONECT 4069 4057 +CONECT 4070 4058 +CONECT 4071 4060 +CONECT 4072 4060 +CONECT 4073 4061 +CONECT 4074 4061 +CONECT 4075 4053 4076 4083 +CONECT 4076 4075 4077 4079 4084 +CONECT 4077 4076 4078 4078 4094 +CONECT 4078 4077 4077 +CONECT 4079 4076 4080 4085 4086 +CONECT 4080 4079 4081 4082 4087 +CONECT 4081 4080 4088 4089 4090 +CONECT 4082 4080 4091 4092 4093 +CONECT 4083 4075 +CONECT 4084 4076 +CONECT 4085 4079 +CONECT 4086 4079 +CONECT 4087 4080 +CONECT 4088 4081 +CONECT 4089 4081 +CONECT 4090 4081 +CONECT 4091 4082 +CONECT 4092 4082 +CONECT 4093 4082 +CONECT 4094 4077 4095 4098 +CONECT 4095 4094 4096 4099 4100 +CONECT 4096 4095 4097 4097 4101 +CONECT 4097 4096 4096 +CONECT 4098 4094 +CONECT 4099 4095 +CONECT 4100 4095 +CONECT 4101 4096 4102 4105 +CONECT 4102 4101 4103 4106 4107 +CONECT 4103 4102 4104 4104 4108 +CONECT 4104 4103 4103 +CONECT 4105 4101 +CONECT 4106 4102 +CONECT 4107 4102 +CONECT 4108 4103 4109 4112 +CONECT 4109 4108 4110 4113 4114 +CONECT 4110 4109 4111 4111 4115 +CONECT 4111 4110 4110 +CONECT 4112 4108 +CONECT 4113 4109 +CONECT 4114 4109 +CONECT 4115 4110 4116 4121 +CONECT 4116 4115 4117 4119 4122 +CONECT 4117 4116 4118 4118 4126 +CONECT 4118 4117 4117 +CONECT 4119 4116 4120 4123 4124 +CONECT 4120 4119 4125 +CONECT 4121 4115 +CONECT 4122 4116 +CONECT 4123 4119 +CONECT 4124 4119 +CONECT 4125 4120 +CONECT 4126 4117 4127 4135 +CONECT 4127 4126 4128 4130 4136 +CONECT 4128 4127 4129 4129 4141 +CONECT 4129 4128 4128 +CONECT 4130 4127 4131 4137 4138 +CONECT 4131 4130 4132 4139 4140 +CONECT 4132 4131 4133 4133 4134 +CONECT 4133 4132 4132 +CONECT 4134 4132 +CONECT 4135 4126 +CONECT 4136 4127 +CONECT 4137 4130 +CONECT 4138 4130 +CONECT 4139 4131 +CONECT 4140 4131 +CONECT 4141 4128 4142 4149 +CONECT 4142 4141 4143 4145 4150 +CONECT 4143 4142 4144 4144 4153 +CONECT 4144 4143 4143 +CONECT 4145 4142 4146 4151 4152 +CONECT 4146 4145 4147 4147 4148 +CONECT 4147 4146 4146 +CONECT 4148 4146 +CONECT 4149 4141 +CONECT 4150 4142 +CONECT 4151 4145 +CONECT 4152 4145 +CONECT 4153 4143 4154 4158 +CONECT 4154 4153 4155 4157 4159 +CONECT 4155 4154 4156 4156 4163 +CONECT 4156 4155 4155 +CONECT 4157 4154 4160 4161 4162 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4250 +CONECT 4242 4241 4243 4244 4244 +CONECT 4243 4242 4251 4252 +CONECT 4244 4242 4242 +CONECT 4245 4236 +CONECT 4246 4237 +CONECT 4247 4240 +CONECT 4248 4240 +CONECT 4249 4241 +CONECT 4250 4241 +CONECT 4251 4243 +CONECT 4252 4243 +CONECT 4253 4238 4254 4263 +CONECT 4254 4253 4255 4257 4264 +CONECT 4255 4254 4256 4256 4270 +CONECT 4256 4255 4255 +CONECT 4257 4254 4258 4265 4266 +CONECT 4258 4257 4259 4259 4260 +CONECT 4259 4258 4258 4262 4268 +CONECT 4260 4258 4261 4267 +CONECT 4261 4260 4262 4262 4269 +CONECT 4262 4259 4261 4261 +CONECT 4263 4253 +CONECT 4264 4254 +CONECT 4265 4257 +CONECT 4266 4257 +CONECT 4267 4260 +CONECT 4268 4259 +CONECT 4269 4261 +CONECT 4270 4255 4271 4281 +CONECT 4271 4270 4272 4274 4282 +CONECT 4272 4271 4273 4273 4294 +CONECT 4273 4272 4272 +CONECT 4274 4271 4275 4283 4284 +CONECT 4275 4274 4276 4285 4286 +CONECT 4276 4275 4277 4287 4288 +CONECT 4277 4276 4278 4289 +CONECT 4278 4277 4279 4279 4280 +CONECT 4279 4278 4278 4290 4291 +CONECT 4280 4278 4292 4293 +CONECT 4281 4270 +CONECT 4282 4271 +CONECT 4283 4274 +CONECT 4284 4274 +CONECT 4285 4275 +CONECT 4286 4275 +CONECT 4287 4276 +CONECT 4288 4276 +CONECT 4289 4277 +CONECT 4290 4279 +CONECT 4291 4279 +CONECT 4292 4280 +CONECT 4293 4280 +CONECT 4294 4272 4295 4305 +CONECT 4295 4294 4296 4298 4306 +CONECT 4296 4295 4297 4297 4314 +CONECT 4297 4296 4296 +CONECT 4298 4295 4299 4307 4308 +CONECT 4299 4298 4300 4300 4301 +CONECT 4300 4299 4299 4302 4309 +CONECT 4301 4299 4303 4303 4310 +CONECT 4302 4300 4304 4304 4311 +CONECT 4303 4301 4301 4304 4312 +CONECT 4304 4302 4302 4303 4313 +CONECT 4305 4294 +CONECT 4306 4295 +CONECT 4307 4298 +CONECT 4308 4298 +CONECT 4309 4300 +CONECT 4310 4301 +CONECT 4311 4302 +CONECT 4312 4303 +CONECT 4313 4304 +CONECT 4314 4296 4315 4325 +CONECT 4315 4314 4316 4318 4326 +CONECT 4316 4315 4317 4317 4334 +CONECT 4317 4316 4316 +CONECT 4318 4315 4319 4327 4328 +CONECT 4319 4318 4320 4320 4321 +CONECT 4320 4319 4319 4322 4329 +CONECT 4321 4319 4323 4323 4330 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4363 4356 +CONECT 4364 4357 +CONECT 4365 4357 +CONECT 4366 4357 +CONECT 4367 4358 +CONECT 4368 4358 +CONECT 4369 4358 +CONECT 4370 4353 4371 4377 +CONECT 4371 4370 4372 4374 4378 +CONECT 4372 4371 4373 4373 4386 +CONECT 4373 4372 4372 +CONECT 4374 4371 4375 4376 4379 +CONECT 4375 4374 4380 4381 4382 +CONECT 4376 4374 4383 4384 4385 +CONECT 4377 4370 +CONECT 4378 4371 +CONECT 4379 4374 +CONECT 4380 4375 +CONECT 4381 4375 +CONECT 4382 4375 +CONECT 4383 4376 +CONECT 4384 4376 +CONECT 4385 4376 +CONECT 4386 4372 4387 4400 +CONECT 4387 4386 4388 4390 4401 +CONECT 4388 4387 4389 4389 4410 +CONECT 4389 4388 4388 +CONECT 4390 4387 4391 4402 4403 +CONECT 4391 4390 4392 4392 4393 +CONECT 4392 4391 4391 4396 4404 +CONECT 4393 4391 4394 4394 4395 +CONECT 4394 4393 4393 4396 4397 +CONECT 4395 4393 4398 4398 4406 +CONECT 4396 4392 4394 4405 +CONECT 4397 4394 4399 4399 4407 +CONECT 4398 4395 4395 4399 4408 +CONECT 4399 4397 4397 4398 4409 +CONECT 4400 4386 +CONECT 4401 4387 +CONECT 4402 4390 +CONECT 4403 4390 +CONECT 4404 4392 +CONECT 4405 4396 +CONECT 4406 4395 +CONECT 4407 4397 +CONECT 4408 4398 +CONECT 4409 4399 +CONECT 4410 4388 4411 4419 +CONECT 4411 4410 4412 4414 4420 +CONECT 4412 4411 4413 4413 4427 +CONECT 4413 4412 4412 +CONECT 4414 4411 4415 4421 4422 +CONECT 4415 4414 4416 4423 4424 +CONECT 4416 4415 4417 4418 4418 +CONECT 4417 4416 4425 4426 +CONECT 4418 4416 4416 +CONECT 4419 4410 +CONECT 4420 4411 +CONECT 4421 4414 +CONECT 4422 4414 +CONECT 4423 4415 +CONECT 4424 4415 +CONECT 4425 4417 +CONECT 4426 4417 +CONECT 4427 4412 4428 4437 +CONECT 4428 4427 4429 4431 4438 +CONECT 4429 4428 4430 4430 4444 +CONECT 4430 4429 4429 +CONECT 4431 4428 4432 4439 4440 +CONECT 4432 4431 4433 4433 4434 +CONECT 4433 4432 4432 4436 4442 +CONECT 4434 4432 4435 4441 +CONECT 4435 4434 4436 4436 4443 +CONECT 4436 4433 4435 4435 +CONECT 4437 4427 +CONECT 4438 4428 +CONECT 4439 4431 +CONECT 4440 4431 +CONECT 4441 4434 +CONECT 4442 4433 +CONECT 4443 4435 +CONECT 4444 4429 4445 4451 +CONECT 4445 4444 4446 4448 4452 +CONECT 4446 4445 4447 4447 4460 +CONECT 4447 4446 4446 +CONECT 4448 4445 4449 4450 4453 +CONECT 4449 4448 4454 4455 4456 +CONECT 4450 4448 4457 4458 4459 +CONECT 4451 4444 +CONECT 4452 4445 +CONECT 4453 4448 +CONECT 4454 4449 +CONECT 4455 4449 +CONECT 4456 4449 +CONECT 4457 4450 +CONECT 4458 4450 +CONECT 4459 4450 +CONECT 4460 4446 4461 4472 +CONECT 4461 4460 4462 4464 4473 +CONECT 4462 4461 4463 4463 4481 +CONECT 4463 4462 4462 +CONECT 4464 4461 4465 4474 4475 +CONECT 4465 4464 4466 4466 4467 +CONECT 4466 4465 4465 4468 4476 +CONECT 4467 4465 4469 4469 4477 +CONECT 4468 4466 4470 4470 4478 +CONECT 4469 4467 4467 4470 4479 +CONECT 4470 4468 4468 4469 4471 +CONECT 4471 4470 4480 +CONECT 4472 4460 +CONECT 4473 4461 +CONECT 4474 4464 +CONECT 4475 4464 +CONECT 4476 4466 +CONECT 4477 4467 +CONECT 4478 4468 +CONECT 4479 4469 +CONECT 4480 4471 +CONECT 4481 4462 4482 4490 +CONECT 4482 4481 4483 4485 4491 +CONECT 4483 4482 4484 4484 4496 +CONECT 4484 4483 4483 +CONECT 4485 4482 4486 4492 4493 +CONECT 4486 4485 4487 4494 4495 +CONECT 4487 4486 4488 4488 4489 +CONECT 4488 4487 4487 +CONECT 4489 4487 +CONECT 4490 4481 +CONECT 4491 4482 +CONECT 4492 4485 +CONECT 4493 4485 +CONECT 4494 4486 +CONECT 4495 4486 +CONECT 4496 4483 4497 4505 +CONECT 4497 4496 4498 4500 4506 +CONECT 4498 4497 4499 4499 4518 +CONECT 4499 4498 4498 +CONECT 4500 4497 4501 4507 4508 +CONECT 4501 4500 4502 4509 4510 +CONECT 4502 4501 4503 4511 4512 +CONECT 4503 4502 4504 4513 4514 +CONECT 4504 4503 4515 4516 4517 +CONECT 4505 4496 +CONECT 4506 4497 +CONECT 4507 4500 +CONECT 4508 4500 +CONECT 4509 4501 +CONECT 4510 4501 +CONECT 4511 4502 +CONECT 4512 4502 +CONECT 4513 4503 +CONECT 4514 4503 +CONECT 4515 4504 +CONECT 4516 4504 +CONECT 4517 4504 +CONECT 4518 4498 4519 4527 +CONECT 4519 4518 4520 4522 4528 +CONECT 4520 4519 4521 4521 4540 +CONECT 4521 4520 4520 +CONECT 4522 4519 4523 4529 4530 +CONECT 4523 4522 4524 4531 4532 +CONECT 4524 4523 4525 4533 4534 +CONECT 4525 4524 4526 4535 4536 +CONECT 4526 4525 4537 4538 4539 +CONECT 4527 4518 +CONECT 4528 4519 +CONECT 4529 4522 +CONECT 4530 4522 +CONECT 4531 4523 +CONECT 4532 4523 +CONECT 4533 4524 +CONECT 4534 4524 +CONECT 4535 4525 +CONECT 4536 4525 +CONECT 4537 4526 +CONECT 4538 4526 +CONECT 4539 4526 +CONECT 4540 4520 4541 4548 +CONECT 4541 4540 4542 4544 4549 +CONECT 4542 4541 4543 4543 4559 +CONECT 4543 4542 4542 +CONECT 4544 4541 4545 4550 4551 +CONECT 4545 4544 4546 4547 4552 +CONECT 4546 4545 4553 4554 4555 +CONECT 4547 4545 4556 4557 4558 +CONECT 4548 4540 +CONECT 4549 4541 +CONECT 4550 4544 +CONECT 4551 4544 +CONECT 4552 4545 +CONECT 4553 4546 +CONECT 4554 4546 +CONECT 4555 4546 +CONECT 4556 4547 +CONECT 4557 4547 +CONECT 4558 4547 +CONECT 4559 4542 4560 4565 +CONECT 4560 4559 4561 4563 4566 +CONECT 4561 4560 4562 4562 4570 +CONECT 4562 4561 4561 +CONECT 4563 4560 4564 4567 4568 +CONECT 4564 4563 4569 +CONECT 4565 4559 +CONECT 4566 4560 +CONECT 4567 4563 +CONECT 4568 4563 +CONECT 4569 4564 +CONECT 4570 4561 4571 4576 +CONECT 4571 4570 4572 4574 4577 +CONECT 4572 4571 4573 4573 4584 +CONECT 4573 4572 4572 +CONECT 4574 4571 4575 4578 4579 +CONECT 4575 4574 4576 4580 4581 +CONECT 4576 4570 4575 4582 4583 +CONECT 4577 4571 +CONECT 4578 4574 +CONECT 4579 4574 +CONECT 4580 4575 +CONECT 4581 4575 +CONECT 4582 4576 +CONECT 4583 4576 +CONECT 4584 4572 4585 4590 +CONECT 4585 4584 4586 4588 4591 +CONECT 4586 4585 4587 4587 4598 +CONECT 4587 4586 4586 +CONECT 4588 4585 4589 4592 4593 +CONECT 4589 4588 4590 4594 4595 +CONECT 4590 4584 4589 4596 4597 +CONECT 4591 4585 +CONECT 4592 4588 +CONECT 4593 4588 +CONECT 4594 4589 +CONECT 4595 4589 +CONECT 4596 4590 +CONECT 4597 4590 +CONECT 4598 4586 4599 4609 +CONECT 4599 4598 4600 4602 4610 +CONECT 4600 4599 4601 4601 4618 +CONECT 4601 4600 4600 +CONECT 4602 4599 4603 4611 4612 +CONECT 4603 4602 4604 4604 4605 +CONECT 4604 4603 4603 4606 4613 +CONECT 4605 4603 4607 4607 4614 +CONECT 4606 4604 4608 4608 4615 +CONECT 4607 4605 4605 4608 4616 +CONECT 4608 4606 4606 4607 4617 +CONECT 4609 4598 +CONECT 4610 4599 +CONECT 4611 4602 +CONECT 4612 4602 +CONECT 4613 4604 +CONECT 4614 4605 +CONECT 4615 4606 +CONECT 4616 4607 +CONECT 4617 4608 +CONECT 4618 4600 4619 4627 +CONECT 4619 4618 4620 4622 4628 +CONECT 4620 4619 4621 4621 4640 +CONECT 4621 4620 4620 +CONECT 4622 4619 4623 4629 4630 +CONECT 4623 4622 4624 4631 4632 +CONECT 4624 4623 4625 4633 4634 +CONECT 4625 4624 4626 4635 4636 +CONECT 4626 4625 4637 4638 4639 +CONECT 4627 4618 +CONECT 4628 4619 +CONECT 4629 4622 +CONECT 4630 4622 +CONECT 4631 4623 +CONECT 4632 4623 +CONECT 4633 4624 +CONECT 4634 4624 +CONECT 4635 4625 +CONECT 4636 4625 +CONECT 4637 4626 +CONECT 4638 4626 +CONECT 4639 4626 +CONECT 4640 4620 4641 4646 +CONECT 4641 4640 4642 4644 4647 +CONECT 4642 4641 4643 4643 4654 +CONECT 4643 4642 4642 +CONECT 4644 4641 4645 4648 4649 +CONECT 4645 4644 4646 4650 4651 +CONECT 4646 4640 4645 4652 4653 +CONECT 4647 4641 +CONECT 4648 4644 +CONECT 4649 4644 +CONECT 4650 4645 +CONECT 4651 4645 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4699 4700 +CONECT 4693 4691 4697 +CONECT 4694 4687 +CONECT 4695 4688 +CONECT 4696 4691 +CONECT 4697 4693 +CONECT 4698 4692 +CONECT 4699 4692 +CONECT 4700 4692 +CONECT 4701 4689 4702 4707 +CONECT 4702 4701 4703 4705 4708 +CONECT 4703 4702 4704 4704 4712 +CONECT 4704 4703 4703 +CONECT 4705 4702 4706 4709 4710 +CONECT 4706 4705 4711 +CONECT 4707 4701 +CONECT 4708 4702 +CONECT 4709 4705 +CONECT 4710 4705 +CONECT 4711 4706 +CONECT 4712 4703 4713 4721 +CONECT 4713 4712 4714 4716 4722 +CONECT 4714 4713 4715 4715 4727 +CONECT 4715 4714 4714 +CONECT 4716 4713 4717 4723 4724 +CONECT 4717 4716 4718 4725 4726 +CONECT 4718 4717 4719 4719 4720 +CONECT 4719 4718 4718 +CONECT 4720 4718 +CONECT 4721 4712 +CONECT 4722 4713 +CONECT 4723 4716 +CONECT 4724 4716 +CONECT 4725 4717 +CONECT 4726 4717 +CONECT 4727 4714 4728 4734 +CONECT 4728 4727 4729 4731 4735 +CONECT 4729 4728 4730 4730 4741 +CONECT 4730 4729 4729 +CONECT 4731 4728 4732 4733 4736 +CONECT 4732 4731 4738 4739 4740 +CONECT 4733 4731 4737 +CONECT 4734 4727 +CONECT 4735 4728 +CONECT 4736 4731 +CONECT 4737 4733 +CONECT 4738 4732 +CONECT 4739 4732 +CONECT 4740 4732 +CONECT 4741 4729 4742 4749 +CONECT 4742 4741 4743 4745 4750 +CONECT 4743 4742 4744 4744 4753 +CONECT 4744 4743 4743 +CONECT 4745 4742 4746 4751 4752 +CONECT 4746 4745 4747 4747 4748 +CONECT 4747 4746 4746 +CONECT 4748 4746 +CONECT 4749 4741 +CONECT 4750 4742 +CONECT 4751 4745 +CONECT 4752 4745 +CONECT 4753 4743 4754 4760 +CONECT 4754 4753 4755 4757 4761 +CONECT 4755 4754 4756 4756 4767 +CONECT 4756 4755 4755 +CONECT 4757 4754 4758 4759 4762 +CONECT 4758 4757 4764 4765 4766 +CONECT 4759 4757 4763 +CONECT 4760 4753 +CONECT 4761 4754 +CONECT 4762 4757 +CONECT 4763 4759 +CONECT 4764 4758 +CONECT 4765 4758 +CONECT 4766 4758 +CONECT 4767 4755 4768 4778 +CONECT 4768 4767 4769 4771 4779 +CONECT 4769 4768 4770 4770 4791 +CONECT 4770 4769 4769 +CONECT 4771 4768 4772 4780 4781 +CONECT 4772 4771 4773 4782 4783 +CONECT 4773 4772 4774 4784 4785 +CONECT 4774 4773 4775 4786 +CONECT 4775 4774 4776 4776 4777 +CONECT 4776 4775 4775 4787 4788 +CONECT 4777 4775 4789 4790 +CONECT 4778 4767 +CONECT 4779 4768 +CONECT 4780 4771 +CONECT 4781 4771 +CONECT 4782 4772 +CONECT 4783 4772 +CONECT 4784 4773 +CONECT 4785 4773 +CONECT 4786 4774 +CONECT 4787 4776 +CONECT 4788 4776 +CONECT 4789 4777 +CONECT 4790 4777 +CONECT 4791 4769 4792 4803 +CONECT 4792 4791 4793 4795 4804 +CONECT 4793 4792 4794 4794 4812 +CONECT 4794 4793 4793 +CONECT 4795 4792 4796 4805 4806 +CONECT 4796 4795 4797 4797 4798 +CONECT 4797 4796 4796 4799 4807 +CONECT 4798 4796 4800 4800 4808 +CONECT 4799 4797 4801 4801 4809 +CONECT 4800 4798 4798 4801 4810 +CONECT 4801 4799 4799 4800 4802 +CONECT 4802 4801 4811 +CONECT 4803 4791 +CONECT 4804 4792 +CONECT 4805 4795 +CONECT 4806 4795 +CONECT 4807 4797 +CONECT 4808 4798 +CONECT 4809 4799 +CONECT 4810 4800 +CONECT 4811 4802 +CONECT 4812 4793 4813 4823 +CONECT 4813 4812 4814 4816 4824 +CONECT 4814 4813 4815 4815 4832 +CONECT 4815 4814 4814 +CONECT 4816 4813 4817 4825 4826 +CONECT 4817 4816 4818 4818 4819 +CONECT 4818 4817 4817 4820 4827 +CONECT 4819 4817 4821 4821 4828 +CONECT 4820 4818 4822 4822 4829 +CONECT 4821 4819 4819 4822 4830 +CONECT 4822 4820 4820 4821 4831 +CONECT 4823 4812 +CONECT 4824 4813 +CONECT 4825 4816 +CONECT 4826 4816 +CONECT 4827 4818 +CONECT 4828 4819 +CONECT 4829 4820 +CONECT 4830 4821 +CONECT 4831 4822 +CONECT 4832 4814 4833 4840 +CONECT 4833 4832 4834 4836 4841 +CONECT 4834 4833 4835 4835 4844 +CONECT 4835 4834 4834 +CONECT 4836 4833 4837 4842 4843 +CONECT 4837 4836 4838 4838 4839 +CONECT 4838 4837 4837 +CONECT 4839 4837 +CONECT 4840 4832 +CONECT 4841 4833 +CONECT 4842 4836 +CONECT 4843 4836 +CONECT 4844 4834 4845 4853 +CONECT 4845 4844 4846 4848 4854 +CONECT 4846 4845 4847 4847 4859 +CONECT 4847 4846 4846 +CONECT 4848 4845 4849 4855 4856 +CONECT 4849 4848 4850 4857 4858 +CONECT 4850 4849 4851 4851 4852 +CONECT 4851 4850 4850 +CONECT 4852 4850 +CONECT 4853 4844 +CONECT 4854 4845 +CONECT 4855 4848 +CONECT 4856 4848 +CONECT 4857 4849 +CONECT 4858 4849 +CONECT 4859 4846 4860 4868 +CONECT 4860 4859 4861 4863 4869 +CONECT 4861 4860 4862 4862 4874 +CONECT 4862 4861 4861 +CONECT 4863 4860 4864 4870 4871 +CONECT 4864 4863 4865 4872 4873 +CONECT 4865 4864 4866 4866 4867 +CONECT 4866 4865 4865 +CONECT 4867 4865 +CONECT 4868 4859 +CONECT 4869 4860 +CONECT 4870 4863 +CONECT 4871 4863 +CONECT 4872 4864 +CONECT 4873 4864 +CONECT 4874 4861 4875 4885 +CONECT 4875 4874 4876 4878 4886 +CONECT 4876 4875 4877 4877 4894 +CONECT 4877 4876 4876 +CONECT 4878 4875 4879 4887 4888 +CONECT 4879 4878 4880 4880 4881 +CONECT 4880 4879 4879 4882 4889 +CONECT 4881 4879 4883 4883 4890 +CONECT 4882 4880 4884 4884 4891 +CONECT 4883 4881 4881 4884 4892 +CONECT 4884 4882 4882 4883 4893 +CONECT 4885 4874 +CONECT 4886 4875 +CONECT 4887 4878 +CONECT 4888 4878 +CONECT 4889 4880 +CONECT 4890 4881 +CONECT 4891 4882 +CONECT 4892 4883 +CONECT 4893 4884 +CONECT 4894 4876 4895 4901 +CONECT 4895 4894 4896 4898 4902 +CONECT 4896 4895 4897 4897 4908 +CONECT 4897 4896 4896 +CONECT 4898 4895 4899 4900 4903 +CONECT 4899 4898 4905 4906 4907 +CONECT 4900 4898 4904 +CONECT 4901 4894 +CONECT 4902 4895 +CONECT 4903 4898 +CONECT 4904 4900 +CONECT 4905 4899 +CONECT 4906 4899 +CONECT 4907 4899 +CONECT 4908 4896 4909 4913 +CONECT 4909 4908 4910 4912 4914 +CONECT 4910 4909 4911 4911 4918 +CONECT 4911 4910 4910 +CONECT 4912 4909 4915 4916 4917 +CONECT 4913 4908 +CONECT 4914 4909 +CONECT 4915 4912 +CONECT 4916 4912 +CONECT 4917 4912 +CONECT 4918 4910 4919 4927 +CONECT 4919 4918 4920 4922 4928 +CONECT 4920 4919 4921 4921 4935 +CONECT 4921 4920 4920 +CONECT 4922 4919 4923 4929 4930 +CONECT 4923 4922 4924 4931 4932 +CONECT 4924 4923 4925 4926 4926 +CONECT 4925 4924 4933 4934 +CONECT 4926 4924 4924 +CONECT 4927 4918 +CONECT 4928 4919 +CONECT 4929 4922 +CONECT 4930 4922 +CONECT 4931 4923 +CONECT 4932 4923 +CONECT 4933 4925 +CONECT 4934 4925 +CONECT 4935 4920 4936 4943 +CONECT 4936 4935 4937 4939 4944 +CONECT 4937 4936 4938 4938 4952 +CONECT 4938 4937 4937 +CONECT 4939 4936 4940 4945 4946 +CONECT 4940 4939 4941 4947 4948 +CONECT 4941 4940 4942 +CONECT 4942 4941 4949 4950 4951 +CONECT 4943 4935 +CONECT 4944 4936 +CONECT 4945 4939 +CONECT 4946 4939 +CONECT 4947 4940 +CONECT 4948 4940 +CONECT 4949 4942 +CONECT 4950 4942 +CONECT 4951 4942 +CONECT 4952 4937 4953 4960 +CONECT 4953 4952 4954 4956 4961 +CONECT 4954 4953 4955 4955 4971 +CONECT 4955 4954 4954 +CONECT 4956 4953 4957 4958 4962 +CONECT 4957 4956 4959 4963 4964 +CONECT 4958 4956 4965 4966 4967 +CONECT 4959 4957 4968 4969 4970 +CONECT 4960 4952 +CONECT 4961 4953 +CONECT 4962 4956 +CONECT 4963 4957 +CONECT 4964 4957 +CONECT 4965 4958 +CONECT 4966 4958 +CONECT 4967 4958 +CONECT 4968 4959 +CONECT 4969 4959 +CONECT 4970 4959 +CONECT 4971 4954 4972 4978 +CONECT 4972 4971 4973 4975 4979 +CONECT 4973 4972 4974 4974 4985 +CONECT 4974 4973 4973 +CONECT 4975 4972 4976 4977 4980 +CONECT 4976 4975 4982 4983 4984 +CONECT 4977 4975 4981 +CONECT 4978 4971 +CONECT 4979 4972 +CONECT 4980 4975 +CONECT 4981 4977 +CONECT 4982 4976 +CONECT 4983 4976 +CONECT 4984 4976 +CONECT 4985 4973 4986 4993 +CONECT 4986 4985 4987 4989 4994 +CONECT 4987 4986 4988 4988 5004 +CONECT 4988 4987 4987 +CONECT 4989 4986 4990 4991 4995 +CONECT 4990 4989 4992 4996 4997 +CONECT 4991 4989 4998 4999 5000 +CONECT 4992 4990 5001 5002 5003 +CONECT 4993 4985 +CONECT 4994 4986 +CONECT 4995 4989 +CONECT 4996 4990 +CONECT 4997 4990 +CONECT 4998 4991 +CONECT 4999 4991 +CONECT 5000 4991 +CONECT 5001 4992 +CONECT 5002 4992 +CONECT 5003 4992 +CONECT 5004 4987 5005 5011 +CONECT 5005 5004 5006 5008 5012 +CONECT 5006 5005 5007 5007 5018 +CONECT 5007 5006 5006 +CONECT 5008 5005 5009 5010 5013 +CONECT 5009 5008 5015 5016 5017 +CONECT 5010 5008 5014 +CONECT 5011 5004 +CONECT 5012 5005 +CONECT 5013 5008 +CONECT 5014 5010 +CONECT 5015 5009 +CONECT 5016 5009 +CONECT 5017 5009 +CONECT 5018 5006 5019 5024 +CONECT 5019 5018 5020 5022 5025 +CONECT 5020 5019 5021 5021 5032 +CONECT 5021 5020 5020 +CONECT 5022 5019 5023 5026 5027 +CONECT 5023 5022 5024 5028 5029 +CONECT 5024 5018 5023 5030 5031 +CONECT 5025 5019 +CONECT 5026 5022 +CONECT 5027 5022 +CONECT 5028 5023 +CONECT 5029 5023 +CONECT 5030 5024 +CONECT 5031 5024 +CONECT 5032 5020 +CONECT 5033 5034 5043 5044 +CONECT 5034 5033 5035 5037 5039 +CONECT 5035 5034 5036 5036 5045 +CONECT 5036 5035 5035 +CONECT 5037 5034 5038 5040 5041 +CONECT 5038 5037 5042 +CONECT 5039 5034 +CONECT 5040 5037 +CONECT 5041 5037 +CONECT 5042 5038 +CONECT 5043 5033 +CONECT 5044 5033 +CONECT 5045 5035 5046 5053 +CONECT 5046 5045 5047 5049 5054 +CONECT 5047 5046 5048 5048 5062 +CONECT 5048 5047 5047 +CONECT 5049 5046 5050 5055 5056 +CONECT 5050 5049 5051 5057 5058 +CONECT 5051 5050 5052 +CONECT 5052 5051 5059 5060 5061 +CONECT 5053 5045 +CONECT 5054 5046 +CONECT 5055 5049 +CONECT 5056 5049 +CONECT 5057 5050 +CONECT 5058 5050 +CONECT 5059 5052 +CONECT 5060 5052 +CONECT 5061 5052 +CONECT 5062 5047 5063 5071 +CONECT 5063 5062 5064 5066 5072 +CONECT 5064 5063 5065 5065 5077 +CONECT 5065 5064 5064 +CONECT 5066 5063 5067 5073 5074 +CONECT 5067 5066 5068 5075 5076 +CONECT 5068 5067 5069 5069 5070 +CONECT 5069 5068 5068 +CONECT 5070 5068 +CONECT 5071 5062 +CONECT 5072 5063 +CONECT 5073 5066 +CONECT 5074 5066 +CONECT 5075 5067 +CONECT 5076 5067 +CONECT 5077 5064 5078 5083 +CONECT 5078 5077 5079 5081 5084 +CONECT 5079 5078 5080 5080 5088 +CONECT 5080 5079 5079 +CONECT 5081 5078 5082 5085 5086 +CONECT 5082 5081 5087 +CONECT 5083 5077 +CONECT 5084 5078 +CONECT 5085 5081 +CONECT 5086 5081 +CONECT 5087 5082 +CONECT 5088 5079 5089 5095 +CONECT 5089 5088 5090 5092 5096 +CONECT 5090 5089 5091 5091 5104 +CONECT 5091 5090 5090 +CONECT 5092 5089 5093 5094 5097 +CONECT 5093 5092 5098 5099 5100 +CONECT 5094 5092 5101 5102 5103 +CONECT 5095 5088 +CONECT 5096 5089 +CONECT 5097 5092 +CONECT 5098 5093 +CONECT 5099 5093 +CONECT 5100 5093 +CONECT 5101 5094 +CONECT 5102 5094 +CONECT 5103 5094 +CONECT 5104 5090 5105 5112 +CONECT 5105 5104 5106 5108 5113 +CONECT 5106 5105 5107 5107 5116 +CONECT 5107 5106 5106 +CONECT 5108 5105 5109 5114 5115 +CONECT 5109 5108 5110 5110 5111 +CONECT 5110 5109 5109 +CONECT 5111 5109 +CONECT 5112 5104 +CONECT 5113 5105 +CONECT 5114 5108 +CONECT 5115 5108 +CONECT 5116 5106 5117 5122 +CONECT 5117 5116 5118 5120 5123 +CONECT 5118 5117 5119 5119 5127 +CONECT 5119 5118 5118 +CONECT 5120 5117 5121 5124 5125 +CONECT 5121 5120 5126 +CONECT 5122 5116 +CONECT 5123 5117 +CONECT 5124 5120 +CONECT 5125 5120 +CONECT 5126 5121 +CONECT 5127 5118 5128 5136 +CONECT 5128 5127 5129 5131 5137 +CONECT 5129 5128 5130 5130 5142 +CONECT 5130 5129 5129 +CONECT 5131 5128 5132 5138 5139 +CONECT 5132 5131 5133 5140 5141 +CONECT 5133 5132 5134 5134 5135 +CONECT 5134 5133 5133 +CONECT 5135 5133 +CONECT 5136 5127 +CONECT 5137 5128 +CONECT 5138 5131 +CONECT 5139 5131 +CONECT 5140 5132 +CONECT 5141 5132 +CONECT 5142 5129 5143 5153 +CONECT 5143 5142 5144 5146 5154 +CONECT 5144 5143 5145 5145 5166 +CONECT 5145 5144 5144 +CONECT 5146 5143 5147 5155 5156 +CONECT 5147 5146 5148 5157 5158 +CONECT 5148 5147 5149 5159 5160 +CONECT 5149 5148 5150 5161 +CONECT 5150 5149 5151 5151 5152 +CONECT 5151 5150 5150 5162 5163 +CONECT 5152 5150 5164 5165 +CONECT 5153 5142 +CONECT 5154 5143 +CONECT 5155 5146 +CONECT 5156 5146 +CONECT 5157 5147 +CONECT 5158 5147 +CONECT 5159 5148 +CONECT 5160 5148 +CONECT 5161 5149 +CONECT 5162 5151 +CONECT 5163 5151 +CONECT 5164 5152 +CONECT 5165 5152 +CONECT 5166 5144 5167 5177 +CONECT 5167 5166 5168 5170 5178 +CONECT 5168 5167 5169 5169 5190 +CONECT 5169 5168 5168 +CONECT 5170 5167 5171 5179 5180 +CONECT 5171 5170 5172 5181 5182 +CONECT 5172 5171 5173 5183 5184 +CONECT 5173 5172 5174 5185 +CONECT 5174 5173 5175 5175 5176 +CONECT 5175 5174 5174 5186 5187 +CONECT 5176 5174 5188 5189 +CONECT 5177 5166 +CONECT 5178 5167 +CONECT 5179 5170 +CONECT 5180 5170 +CONECT 5181 5171 +CONECT 5182 5171 +CONECT 5183 5172 +CONECT 5184 5172 +CONECT 5185 5173 +CONECT 5186 5175 +CONECT 5187 5175 +CONECT 5188 5176 +CONECT 5189 5176 +CONECT 5190 5168 5191 5196 +CONECT 5191 5190 5192 5194 5197 +CONECT 5192 5191 5193 5193 5204 +CONECT 5193 5192 5192 +CONECT 5194 5191 5195 5198 5199 +CONECT 5195 5194 5196 5200 5201 +CONECT 5196 5190 5195 5202 5203 +CONECT 5197 5191 +CONECT 5198 5194 +CONECT 5199 5194 +CONECT 5200 5195 +CONECT 5201 5195 +CONECT 5202 5196 +CONECT 5203 5196 +CONECT 5204 5192 5205 5214 +CONECT 5205 5204 5206 5208 5215 +CONECT 5206 5205 5207 5207 5221 +CONECT 5207 5206 5206 +CONECT 5208 5205 5209 5216 5217 +CONECT 5209 5208 5210 5210 5211 +CONECT 5210 5209 5209 5213 5219 +CONECT 5211 5209 5212 5218 +CONECT 5212 5211 5213 5213 5220 +CONECT 5213 5210 5212 5212 +CONECT 5214 5204 +CONECT 5215 5205 +CONECT 5216 5208 +CONECT 5217 5208 +CONECT 5218 5211 +CONECT 5219 5210 +CONECT 5220 5212 +CONECT 5221 5206 5222 5232 +CONECT 5222 5221 5223 5225 5233 +CONECT 5223 5222 5224 5224 5241 +CONECT 5224 5223 5223 +CONECT 5225 5222 5226 5234 5235 +CONECT 5226 5225 5227 5227 5228 +CONECT 5227 5226 5226 5229 5236 +CONECT 5228 5226 5230 5230 5237 +CONECT 5229 5227 5231 5231 5238 +CONECT 5230 5228 5228 5231 5239 +CONECT 5231 5229 5229 5230 5240 +CONECT 5232 5221 +CONECT 5233 5222 +CONECT 5234 5225 +CONECT 5235 5225 +CONECT 5236 5227 +CONECT 5237 5228 +CONECT 5238 5229 +CONECT 5239 5230 +CONECT 5240 5231 +CONECT 5241 5223 5242 5247 +CONECT 5242 5241 5243 5245 5248 +CONECT 5243 5242 5244 5244 5255 +CONECT 5244 5243 5243 +CONECT 5245 5242 5246 5249 5250 +CONECT 5246 5245 5247 5251 5252 +CONECT 5247 5241 5246 5253 5254 +CONECT 5248 5242 +CONECT 5249 5245 +CONECT 5250 5245 +CONECT 5251 5246 +CONECT 5252 5246 +CONECT 5253 5247 +CONECT 5254 5247 +CONECT 5255 5243 5256 5264 +CONECT 5256 5255 5257 5259 5265 +CONECT 5257 5256 5258 5258 5272 +CONECT 5258 5257 5257 +CONECT 5259 5256 5260 5266 5267 +CONECT 5260 5259 5261 5268 5269 +CONECT 5261 5260 5262 5263 5263 +CONECT 5262 5261 5270 5271 +CONECT 5263 5261 5261 +CONECT 5264 5255 +CONECT 5265 5256 +CONECT 5266 5259 +CONECT 5267 5259 +CONECT 5268 5260 +CONECT 5269 5260 +CONECT 5270 5262 +CONECT 5271 5262 +CONECT 5272 5257 5273 5283 +CONECT 5273 5272 5274 5276 5284 +CONECT 5274 5273 5275 5275 5292 +CONECT 5275 5274 5274 +CONECT 5276 5273 5277 5285 5286 +CONECT 5277 5276 5278 5278 5279 +CONECT 5278 5277 5277 5280 5287 +CONECT 5279 5277 5281 5281 5288 +CONECT 5280 5278 5282 5282 5289 +CONECT 5281 5279 5279 5282 5290 +CONECT 5282 5280 5280 5281 5291 +CONECT 5283 5272 +CONECT 5284 5273 +CONECT 5285 5276 +CONECT 5286 5276 +CONECT 5287 5278 +CONECT 5288 5279 +CONECT 5289 5280 +CONECT 5290 5281 +CONECT 5291 5282 +CONECT 5292 5274 5293 5300 +CONECT 5293 5292 5294 5296 5301 +CONECT 5294 5293 5295 5295 5304 +CONECT 5295 5294 5294 +CONECT 5296 5293 5297 5302 5303 +CONECT 5297 5296 5298 5298 5299 +CONECT 5298 5297 5297 +CONECT 5299 5297 +CONECT 5300 5292 +CONECT 5301 5293 +CONECT 5302 5296 +CONECT 5303 5296 +CONECT 5304 5294 5305 5316 +CONECT 5305 5304 5306 5308 5317 +CONECT 5306 5305 5307 5307 5325 +CONECT 5307 5306 5306 +CONECT 5308 5305 5309 5318 5319 +CONECT 5309 5308 5310 5310 5311 +CONECT 5310 5309 5309 5312 5320 +CONECT 5311 5309 5313 5313 5321 +CONECT 5312 5310 5314 5314 5322 +CONECT 5313 5311 5311 5314 5323 +CONECT 5314 5312 5312 5313 5315 +CONECT 5315 5314 5324 +CONECT 5316 5304 +CONECT 5317 5305 +CONECT 5318 5308 +CONECT 5319 5308 +CONECT 5320 5310 +CONECT 5321 5311 +CONECT 5322 5312 +CONECT 5323 5313 +CONECT 5324 5315 +CONECT 5325 5306 5326 5331 +CONECT 5326 5325 5327 5329 5332 +CONECT 5327 5326 5328 5328 5336 +CONECT 5328 5327 5327 +CONECT 5329 5326 5330 5333 5334 +CONECT 5330 5329 5335 +CONECT 5331 5325 +CONECT 5332 5326 +CONECT 5333 5329 +CONECT 5334 5329 +CONECT 5335 5330 +CONECT 5336 5327 5337 5341 +CONECT 5337 5336 5338 5340 5342 +CONECT 5338 5337 5339 5339 5346 +CONECT 5339 5338 5338 +CONECT 5340 5337 5343 5344 5345 +CONECT 5341 5336 +CONECT 5342 5337 +CONECT 5343 5340 +CONECT 5344 5340 +CONECT 5345 5340 +CONECT 5346 5338 5347 5352 +CONECT 5347 5346 5348 5350 5353 +CONECT 5348 5347 5349 5349 5357 +CONECT 5349 5348 5348 +CONECT 5350 5347 5351 5354 5355 +CONECT 5351 5350 5356 +CONECT 5352 5346 +CONECT 5353 5347 +CONECT 5354 5350 +CONECT 5355 5350 +CONECT 5356 5351 +CONECT 5357 5348 +CONECT 5358 5385 +CONECT 5359 5360 5360 5360 5360 +CONECT 5359 5361 5361 5361 5361 +CONECT 5359 5367 5367 5367 5367 +CONECT 5360 5359 5359 5359 5359 +CONECT 5360 5362 5362 5362 5362 +CONECT 5360 5365 5365 5365 5365 +CONECT 5361 5359 5359 5359 5359 +CONECT 5361 5363 5363 5363 5363 +CONECT 5361 5368 +CONECT 5362 5360 5360 5360 5360 +CONECT 5362 5364 5364 5364 5364 +CONECT 5363 5361 5361 5361 5361 +CONECT 5363 5364 5364 5364 5364 +CONECT 5364 5362 5362 5362 5362 +CONECT 5364 5363 5363 5363 5363 +CONECT 5364 5395 +CONECT 5365 5360 5360 5360 5360 +CONECT 5365 5366 5366 5366 5366 +CONECT 5365 5389 +CONECT 5366 5365 5365 5365 5365 +CONECT 5366 5367 5367 5367 5367 +CONECT 5366 5396 +CONECT 5367 5359 5359 5359 5359 +CONECT 5367 5366 5366 5366 5366 +CONECT 5367 5397 +CONECT 5368 5361 5369 5373 +CONECT 5369 5368 5370 5399 5400 +CONECT 5370 5369 5371 5401 5402 +CONECT 5371 5370 5372 5374 5375 +CONECT 5372 5371 5373 5403 5404 +CONECT 5373 5368 5372 5405 5406 +CONECT 5374 5371 5407 5408 +CONECT 5375 5371 5376 5376 5377 +CONECT 5376 5375 5375 +CONECT 5377 5375 5378 5388 +CONECT 5378 5377 5379 5382 5390 +CONECT 5379 5378 5380 5409 5410 +CONECT 5380 5379 5381 5411 5412 +CONECT 5381 5380 5398 +CONECT 5382 5378 5383 5383 5383 +CONECT 5382 5383 5387 5387 5387 +CONECT 5382 5387 +CONECT 5383 5382 5382 5382 5382 +CONECT 5383 5384 5384 5384 5384 +CONECT 5383 5391 +CONECT 5384 5383 5383 5383 5383 +CONECT 5384 5385 5385 5385 5385 +CONECT 5384 5392 +CONECT 5385 5358 5384 5384 5384 +CONECT 5385 5384 5386 5386 5386 +CONECT 5385 5386 +CONECT 5386 5385 5385 5385 5385 +CONECT 5386 5387 5387 5387 5387 +CONECT 5386 5393 +CONECT 5387 5382 5382 5382 5382 +CONECT 5387 5386 5386 5386 5386 +CONECT 5387 5394 +CONECT 5388 5377 +CONECT 5389 5365 +CONECT 5390 5378 +CONECT 5391 5383 +CONECT 5392 5384 +CONECT 5393 5386 +CONECT 5394 5387 +CONECT 5395 5364 +CONECT 5396 5366 +CONECT 5397 5367 +CONECT 5398 5381 +CONECT 5399 5369 +CONECT 5400 5369 +CONECT 5401 5370 +CONECT 5402 5370 +CONECT 5403 5372 +CONECT 5404 5372 +CONECT 5405 5373 +CONECT 5406 5373 +CONECT 5407 5374 +CONECT 5408 5374 +CONECT 5409 5379 +CONECT 5410 5379 +CONECT 5411 5380 +CONECT 5412 5380 +END diff --git a/paper_results/docking/AKT1_Generated_Molecule.pdb b/paper_results/docking/AKT1_Generated_Molecule.pdb new file mode 100644 index 0000000..1ca9bdb --- /dev/null +++ b/paper_results/docking/AKT1_Generated_Molecule.pdb @@ -0,0 +1,10812 @@ +ATOM 1 N SER A 143 -26.073 -11.799 -9.115 1.00 52.26 N +ATOM 2 CA SER A 143 -25.036 -10.979 -8.422 1.00 52.21 C +ATOM 3 C SER A 143 -24.512 -9.835 -9.303 1.00 49.35 C +ATOM 4 O SER A 143 -23.363 -9.861 -9.749 1.00 51.66 O +ATOM 5 CB SER A 143 -23.882 -11.887 -7.979 1.00 53.44 C +ATOM 6 OG SER A 143 -24.353 -12.958 -7.173 1.00 58.26 O +ATOM 7 HA SER A 143 -25.487 -10.543 -7.531 1.00 0.00 H +ATOM 8 HB2 SER A 143 -23.378 -12.289 -8.858 1.00 0.00 H +ATOM 9 HB3 SER A 143 -23.155 -11.302 -7.416 1.00 0.00 H +ATOM 10 HG SER A 143 -23.613 -13.510 -6.910 1.00 0.00 H +ATOM 11 H1 SER A 143 -26.387 -12.536 -8.500 1.00 0.00 H +ATOM 12 H2 SER A 143 -26.857 -11.212 -9.363 1.00 0.00 H +ATOM 13 N ARG A 144 -25.345 -8.820 -9.523 1.00 45.58 N +ATOM 14 CA ARG A 144 -25.053 -7.798 -10.529 1.00 42.34 C +ATOM 15 C ARG A 144 -23.997 -6.786 -10.094 1.00 36.39 C +ATOM 16 O ARG A 144 -22.969 -6.675 -10.755 1.00 33.85 O +ATOM 17 CB ARG A 144 -26.319 -7.059 -10.976 1.00 43.43 C +ATOM 18 CG ARG A 144 -26.148 -6.315 -12.297 1.00 49.34 C +ATOM 19 CD ARG A 144 -26.030 -7.264 -13.509 1.00 52.77 C +ATOM 20 NE ARG A 144 -27.175 -7.125 -14.408 1.00 56.42 N +ATOM 21 CZ ARG A 144 -28.379 -7.669 -14.214 1.00 59.03 C +ATOM 22 NH1 ARG A 144 -28.636 -8.420 -13.149 1.00 58.90 N1+ +ATOM 23 NH2 ARG A 144 -29.346 -7.461 -15.104 1.00 62.03 N1+ +ATOM 24 H ARG A 144 -26.200 -8.744 -8.990 1.00 0.00 H +ATOM 25 HA ARG A 144 -24.659 -8.315 -11.404 1.00 0.00 H +ATOM 26 HB2 ARG A 144 -27.141 -7.770 -11.065 1.00 0.00 H +ATOM 27 HB3 ARG A 144 -26.620 -6.355 -10.200 1.00 0.00 H +ATOM 28 HG2 ARG A 144 -26.992 -5.642 -12.445 1.00 0.00 H +ATOM 29 HG3 ARG A 144 -25.262 -5.683 -12.244 1.00 0.00 H +ATOM 30 HD2 ARG A 144 -25.112 -7.044 -14.054 1.00 0.00 H +ATOM 31 HD3 ARG A 144 -25.967 -8.294 -13.158 1.00 0.00 H +ATOM 32 HE ARG A 144 -27.000 -6.565 -15.230 1.00 0.00 H +ATOM 33 HH11 ARG A 144 -27.913 -8.590 -12.465 1.00 0.00 H +ATOM 34 HH12 ARG A 144 -29.554 -8.821 -13.024 1.00 0.00 H +ATOM 35 HH21 ARG A 144 -29.167 -6.894 -15.921 1.00 0.00 H +ATOM 36 HH22 ARG A 144 -30.259 -7.870 -14.963 1.00 0.00 H +ATOM 37 N VAL A 145 -24.247 -6.036 -9.018 1.00 31.03 N +ATOM 38 CA VAL A 145 -23.321 -4.953 -8.642 1.00 28.61 C +ATOM 39 C VAL A 145 -22.052 -5.477 -7.978 1.00 23.55 C +ATOM 40 O VAL A 145 -22.065 -6.467 -7.260 1.00 22.31 O +ATOM 41 CB VAL A 145 -23.973 -3.833 -7.764 1.00 32.14 C +ATOM 42 CG1 VAL A 145 -25.220 -3.259 -8.452 1.00 31.41 C +ATOM 43 CG2 VAL A 145 -24.280 -4.331 -6.365 1.00 34.04 C +ATOM 44 H VAL A 145 -25.071 -6.211 -8.461 1.00 0.00 H +ATOM 45 HA VAL A 145 -23.010 -4.476 -9.571 1.00 0.00 H +ATOM 46 HB VAL A 145 -23.248 -3.024 -7.672 1.00 0.00 H +ATOM 47 HG11 VAL A 145 -25.657 -2.482 -7.824 1.00 0.00 H +ATOM 48 HG12 VAL A 145 -24.940 -2.832 -9.415 1.00 0.00 H +ATOM 49 HG13 VAL A 145 -25.949 -4.054 -8.606 1.00 0.00 H +ATOM 50 HG21 VAL A 145 -24.732 -3.527 -5.784 1.00 0.00 H +ATOM 51 HG22 VAL A 145 -24.972 -5.171 -6.422 1.00 0.00 H +ATOM 52 HG23 VAL A 145 -23.357 -4.653 -5.883 1.00 0.00 H +ATOM 53 N THR A 146 -20.949 -4.801 -8.278 1.00 21.08 N +ATOM 54 CA THR A 146 -19.621 -5.145 -7.795 1.00 20.58 C +ATOM 55 C THR A 146 -18.945 -3.848 -7.326 1.00 15.81 C +ATOM 56 O THR A 146 -19.534 -2.767 -7.457 1.00 15.23 O +ATOM 57 CB THR A 146 -18.794 -5.832 -8.902 1.00 23.58 C +ATOM 58 CG2 THR A 146 -18.162 -4.847 -9.867 1.00 19.16 C +ATOM 59 OG1 THR A 146 -17.754 -6.598 -8.302 1.00 40.04 O +ATOM 60 H THR A 146 -21.001 -3.990 -8.878 1.00 0.00 H +ATOM 61 HA THR A 146 -19.715 -5.824 -6.948 1.00 0.00 H +ATOM 62 HB THR A 146 -19.446 -6.503 -9.462 1.00 0.00 H +ATOM 63 HG1 THR A 146 -17.236 -7.028 -8.987 1.00 0.00 H +ATOM 64 HG21 THR A 146 -17.594 -5.391 -10.622 1.00 0.00 H +ATOM 65 HG22 THR A 146 -18.943 -4.261 -10.352 1.00 0.00 H +ATOM 66 HG23 THR A 146 -17.495 -4.180 -9.321 1.00 0.00 H +ATOM 67 N MET A 147 -17.730 -3.956 -6.793 1.00 15.62 N +ATOM 68 CA MET A 147 -16.978 -2.766 -6.345 1.00 18.25 C +ATOM 69 C MET A 147 -16.684 -1.783 -7.487 1.00 15.81 C +ATOM 70 O MET A 147 -16.583 -0.596 -7.267 1.00 14.35 O +ATOM 71 CB MET A 147 -15.688 -3.176 -5.650 1.00 18.53 C +ATOM 72 CG MET A 147 -15.942 -3.862 -4.319 1.00 21.32 C +ATOM 73 SD MET A 147 -14.543 -3.899 -3.191 1.00 23.59 S +ATOM 74 CE MET A 147 -14.469 -2.212 -2.604 1.00 23.54 C +ATOM 75 H MET A 147 -17.304 -4.866 -6.688 1.00 0.00 H +ATOM 76 HA MET A 147 -17.594 -2.244 -5.613 1.00 0.00 H +ATOM 77 HB2 MET A 147 -15.123 -3.844 -6.300 1.00 0.00 H +ATOM 78 HB3 MET A 147 -15.066 -2.295 -5.491 1.00 0.00 H +ATOM 79 HG2 MET A 147 -16.790 -3.388 -3.825 1.00 0.00 H +ATOM 80 HG3 MET A 147 -16.287 -4.880 -4.499 1.00 0.00 H +ATOM 81 HE1 MET A 147 -13.644 -2.108 -1.899 1.00 0.00 H +ATOM 82 HE2 MET A 147 -14.313 -1.540 -3.448 1.00 0.00 H +ATOM 83 HE3 MET A 147 -15.405 -1.958 -2.107 1.00 0.00 H +ATOM 84 N ASN A 148 -16.556 -2.285 -8.712 1.00 19.88 N +ATOM 85 CA ASN A 148 -16.342 -1.438 -9.890 1.00 20.06 C +ATOM 86 C ASN A 148 -17.496 -0.540 -10.301 1.00 17.65 C +ATOM 87 O ASN A 148 -17.305 0.362 -11.111 1.00 17.48 O +ATOM 88 CB ASN A 148 -15.944 -2.311 -11.080 1.00 23.34 C +ATOM 89 CG ASN A 148 -14.607 -2.985 -10.876 1.00 33.59 C +ATOM 90 ND2 ASN A 148 -14.520 -4.252 -11.261 1.00 39.41 N +ATOM 91 OD1 ASN A 148 -13.658 -2.374 -10.369 1.00 41.55 O +ATOM 92 H ASN A 148 -16.605 -3.283 -8.856 1.00 0.00 H +ATOM 93 HA ASN A 148 -15.494 -0.790 -9.669 1.00 0.00 H +ATOM 94 HB2 ASN A 148 -16.710 -3.068 -11.246 1.00 0.00 H +ATOM 95 HB3 ASN A 148 -15.908 -1.700 -11.982 1.00 0.00 H +ATOM 96 HD21 ASN A 148 -15.322 -4.713 -11.665 1.00 0.00 H +ATOM 97 HD22 ASN A 148 -13.651 -4.755 -11.150 1.00 0.00 H +ATOM 98 N GLU A 149 -18.683 -0.783 -9.749 1.00 16.13 N +ATOM 99 CA GLU A 149 -19.860 0.023 -10.033 1.00 15.28 C +ATOM 100 C GLU A 149 -19.930 1.345 -9.255 1.00 15.08 C +ATOM 101 O GLU A 149 -20.844 2.140 -9.485 1.00 14.53 O +ATOM 102 CB GLU A 149 -21.142 -0.797 -9.811 1.00 15.96 C +ATOM 103 CG GLU A 149 -21.563 -1.608 -11.037 1.00 19.96 C +ATOM 104 CD GLU A 149 -20.553 -2.644 -11.420 1.00 23.72 C +ATOM 105 OE1 GLU A 149 -19.803 -2.407 -12.385 1.00 31.61 O +ATOM 106 OE2 GLU A 149 -20.490 -3.695 -10.753 1.00 25.56 O1- +ATOM 107 H GLU A 149 -18.792 -1.553 -9.105 1.00 0.00 H +ATOM 108 HA GLU A 149 -19.824 0.278 -11.092 1.00 0.00 H +ATOM 109 HB2 GLU A 149 -21.000 -1.469 -8.964 1.00 0.00 H +ATOM 110 HB3 GLU A 149 -21.954 -0.129 -9.523 1.00 0.00 H +ATOM 111 HG2 GLU A 149 -22.520 -2.091 -10.841 1.00 0.00 H +ATOM 112 HG3 GLU A 149 -21.728 -0.934 -11.878 1.00 0.00 H +ATOM 113 N PHE A 150 -18.966 1.574 -8.364 1.00 12.47 N +ATOM 114 CA PHE A 150 -18.964 2.756 -7.516 1.00 11.53 C +ATOM 115 C PHE A 150 -17.705 3.609 -7.681 1.00 9.54 C +ATOM 116 O PHE A 150 -16.595 3.078 -7.949 1.00 12.57 O +ATOM 117 CB PHE A 150 -19.126 2.352 -6.038 1.00 11.88 C +ATOM 118 CG PHE A 150 -20.359 1.518 -5.779 1.00 12.02 C +ATOM 119 CD1 PHE A 150 -21.580 2.117 -5.470 1.00 12.39 C +ATOM 120 CD2 PHE A 150 -20.298 0.134 -5.891 1.00 14.70 C +ATOM 121 CE1 PHE A 150 -22.729 1.348 -5.289 1.00 13.97 C +ATOM 122 CE2 PHE A 150 -21.441 -0.648 -5.674 1.00 13.26 C +ATOM 123 CZ PHE A 150 -22.649 -0.045 -5.369 1.00 14.13 C +ATOM 124 H PHE A 150 -18.206 0.916 -8.262 1.00 0.00 H +ATOM 125 HA PHE A 150 -19.822 3.368 -7.792 1.00 0.00 H +ATOM 126 HB2 PHE A 150 -18.242 1.802 -5.714 1.00 0.00 H +ATOM 127 HB3 PHE A 150 -19.159 3.249 -5.419 1.00 0.00 H +ATOM 128 HD1 PHE A 150 -21.644 3.190 -5.368 1.00 0.00 H +ATOM 129 HD2 PHE A 150 -19.365 -0.346 -6.147 1.00 0.00 H +ATOM 130 HE1 PHE A 150 -23.675 1.829 -5.088 1.00 0.00 H +ATOM 131 HE2 PHE A 150 -21.381 -1.724 -5.745 1.00 0.00 H +ATOM 132 HZ PHE A 150 -23.528 -0.647 -5.193 1.00 0.00 H +ATOM 133 N GLU A 151 -17.884 4.907 -7.484 1.00 11.44 N +ATOM 134 CA GLU A 151 -16.776 5.837 -7.292 1.00 12.46 C +ATOM 135 C GLU A 151 -16.622 6.069 -5.792 1.00 13.92 C +ATOM 136 O GLU A 151 -17.598 6.336 -5.089 1.00 13.25 O +ATOM 137 CB GLU A 151 -17.027 7.170 -7.997 1.00 10.85 C +ATOM 138 CG GLU A 151 -15.792 8.118 -7.980 1.00 15.23 C +ATOM 139 CD GLU A 151 -16.087 9.499 -8.538 1.00 19.39 C +ATOM 140 OE1 GLU A 151 -15.236 10.393 -8.391 1.00 22.75 O +ATOM 141 OE2 GLU A 151 -17.167 9.708 -9.119 1.00 15.78 O1- +ATOM 142 H GLU A 151 -18.818 5.290 -7.462 1.00 0.00 H +ATOM 143 HA GLU A 151 -15.861 5.391 -7.682 1.00 0.00 H +ATOM 144 HB2 GLU A 151 -17.326 6.983 -9.029 1.00 0.00 H +ATOM 145 HB3 GLU A 151 -17.875 7.672 -7.531 1.00 0.00 H +ATOM 146 HG2 GLU A 151 -15.422 8.212 -6.959 1.00 0.00 H +ATOM 147 HG3 GLU A 151 -14.980 7.664 -8.548 1.00 0.00 H +ATOM 148 N TYR A 152 -15.385 5.997 -5.312 1.00 11.60 N +ATOM 149 CA TYR A 152 -15.042 6.079 -3.887 1.00 11.46 C +ATOM 150 C TYR A 152 -14.575 7.499 -3.583 1.00 13.49 C +ATOM 151 O TYR A 152 -13.528 7.917 -4.074 1.00 15.49 O +ATOM 152 CB TYR A 152 -13.980 5.009 -3.558 1.00 13.79 C +ATOM 153 CG TYR A 152 -14.561 3.636 -3.824 1.00 11.19 C +ATOM 154 CD1 TYR A 152 -14.569 3.097 -5.119 1.00 15.32 C +ATOM 155 CD2 TYR A 152 -15.181 2.928 -2.812 1.00 11.65 C +ATOM 156 CE1 TYR A 152 -15.179 1.867 -5.385 1.00 12.97 C +ATOM 157 CE2 TYR A 152 -15.792 1.696 -3.062 1.00 11.91 C +ATOM 158 CZ TYR A 152 -15.775 1.167 -4.344 1.00 11.78 C +ATOM 159 OH TYR A 152 -16.405 -0.042 -4.573 1.00 13.91 O +ATOM 160 H TYR A 152 -14.605 5.878 -5.942 1.00 0.00 H +ATOM 161 HA TYR A 152 -15.937 5.873 -3.300 1.00 0.00 H +ATOM 162 HB2 TYR A 152 -13.104 5.161 -4.189 1.00 0.00 H +ATOM 163 HB3 TYR A 152 -13.699 5.087 -2.508 1.00 0.00 H +ATOM 164 HD1 TYR A 152 -14.099 3.633 -5.930 1.00 0.00 H +ATOM 165 HD2 TYR A 152 -15.199 3.325 -1.808 1.00 0.00 H +ATOM 166 HE1 TYR A 152 -15.183 1.472 -6.390 1.00 0.00 H +ATOM 167 HE2 TYR A 152 -16.275 1.160 -2.258 1.00 0.00 H +ATOM 168 HH TYR A 152 -16.757 -0.381 -3.747 1.00 0.00 H +ATOM 169 N LEU A 153 -15.358 8.243 -2.799 1.00 11.93 N +ATOM 170 CA LEU A 153 -15.249 9.696 -2.684 1.00 11.56 C +ATOM 171 C LEU A 153 -14.510 10.202 -1.449 1.00 15.46 C +ATOM 172 O LEU A 153 -13.615 11.041 -1.579 1.00 18.84 O +ATOM 173 CB LEU A 153 -16.645 10.342 -2.791 1.00 12.15 C +ATOM 174 CG LEU A 153 -17.430 10.070 -4.079 1.00 16.78 C +ATOM 175 CD1 LEU A 153 -18.795 10.714 -3.964 1.00 22.68 C +ATOM 176 CD2 LEU A 153 -16.708 10.573 -5.304 1.00 23.66 C +ATOM 177 H LEU A 153 -16.077 7.805 -2.241 1.00 0.00 H +ATOM 178 HA LEU A 153 -14.680 10.036 -3.549 1.00 0.00 H +ATOM 179 HB2 LEU A 153 -17.247 10.041 -1.934 1.00 0.00 H +ATOM 180 HB3 LEU A 153 -16.554 11.419 -2.647 1.00 0.00 H +ATOM 181 HG LEU A 153 -17.565 8.993 -4.178 1.00 0.00 H +ATOM 182 HD11 LEU A 153 -19.363 10.527 -4.875 1.00 0.00 H +ATOM 183 HD12 LEU A 153 -19.326 10.291 -3.112 1.00 0.00 H +ATOM 184 HD13 LEU A 153 -18.680 11.789 -3.822 1.00 0.00 H +ATOM 185 HD21 LEU A 153 -17.303 10.357 -6.191 1.00 0.00 H +ATOM 186 HD22 LEU A 153 -16.557 11.649 -5.221 1.00 0.00 H +ATOM 187 HD23 LEU A 153 -15.741 10.076 -5.386 1.00 0.00 H +ATOM 188 N LYS A 154 -14.882 9.710 -0.270 1.00 12.78 N +ATOM 189 CA LYS A 154 -14.408 10.258 1.012 1.00 12.82 C +ATOM 190 C LYS A 154 -14.521 9.236 2.136 1.00 13.33 C +ATOM 191 O LYS A 154 -15.507 8.495 2.211 1.00 13.36 O +ATOM 192 CB LYS A 154 -15.238 11.486 1.406 1.00 14.56 C +ATOM 193 CG LYS A 154 -14.680 12.809 0.964 1.00 27.89 C +ATOM 194 CD LYS A 154 -15.779 13.846 0.908 1.00 33.58 C +ATOM 195 CE LYS A 154 -15.267 15.264 1.143 1.00 39.96 C +ATOM 196 NZ LYS A 154 -16.344 16.276 0.930 1.00 40.40 N1+ +ATOM 197 H LYS A 154 -15.517 8.926 -0.228 1.00 0.00 H +ATOM 198 HA LYS A 154 -13.364 10.555 0.906 1.00 0.00 H +ATOM 199 HB2 LYS A 154 -16.251 11.375 1.019 1.00 0.00 H +ATOM 200 HB3 LYS A 154 -15.375 11.496 2.487 1.00 0.00 H +ATOM 201 HG2 LYS A 154 -13.912 13.132 1.666 1.00 0.00 H +ATOM 202 HG3 LYS A 154 -14.231 12.702 -0.024 1.00 0.00 H +ATOM 203 HD2 LYS A 154 -16.275 13.796 -0.061 1.00 0.00 H +ATOM 204 HD3 LYS A 154 -16.540 13.608 1.651 1.00 0.00 H +ATOM 205 HE2 LYS A 154 -14.886 15.348 2.161 1.00 0.00 H +ATOM 206 HE3 LYS A 154 -14.439 15.468 0.465 1.00 0.00 H +ATOM 207 HZ1 LYS A 154 -15.974 17.202 1.093 1.00 0.00 H +ATOM 208 HZ2 LYS A 154 -16.684 16.212 -0.019 1.00 0.00 H +ATOM 209 HZ3 LYS A 154 -17.104 16.100 1.572 1.00 0.00 H +ATOM 210 N LEU A 155 -13.531 9.203 3.015 1.00 13.42 N +ATOM 211 CA LEU A 155 -13.586 8.362 4.213 1.00 12.61 C +ATOM 212 C LEU A 155 -14.486 9.024 5.259 1.00 12.59 C +ATOM 213 O LEU A 155 -14.250 10.164 5.663 1.00 13.26 O +ATOM 214 CB LEU A 155 -12.187 8.119 4.800 1.00 12.88 C +ATOM 215 CG LEU A 155 -12.164 7.172 5.994 1.00 15.48 C +ATOM 216 CD1 LEU A 155 -12.496 5.741 5.580 1.00 14.58 C +ATOM 217 CD2 LEU A 155 -10.805 7.230 6.677 1.00 17.72 C +ATOM 218 H LEU A 155 -12.707 9.769 2.869 1.00 0.00 H +ATOM 219 HA LEU A 155 -14.020 7.400 3.941 1.00 0.00 H +ATOM 220 HB2 LEU A 155 -11.530 7.733 4.020 1.00 0.00 H +ATOM 221 HB3 LEU A 155 -11.745 9.073 5.087 1.00 0.00 H +ATOM 222 HG LEU A 155 -12.918 7.504 6.707 1.00 0.00 H +ATOM 223 HD11 LEU A 155 -12.470 5.093 6.456 1.00 0.00 H +ATOM 224 HD12 LEU A 155 -13.491 5.712 5.137 1.00 0.00 H +ATOM 225 HD13 LEU A 155 -11.764 5.394 4.851 1.00 0.00 H +ATOM 226 HD21 LEU A 155 -10.797 6.550 7.529 1.00 0.00 H +ATOM 227 HD22 LEU A 155 -10.030 6.935 5.970 1.00 0.00 H +ATOM 228 HD23 LEU A 155 -10.614 8.246 7.022 1.00 0.00 H +ATOM 229 N LEU A 156 -15.530 8.302 5.674 1.00 11.61 N +ATOM 230 CA LEU A 156 -16.469 8.768 6.700 1.00 12.99 C +ATOM 231 C LEU A 156 -16.172 8.278 8.111 1.00 11.95 C +ATOM 232 O LEU A 156 -16.407 8.996 9.071 1.00 14.94 O +ATOM 233 CB LEU A 156 -17.898 8.369 6.315 1.00 12.58 C +ATOM 234 CG LEU A 156 -18.412 8.822 4.947 1.00 7.96 C +ATOM 235 CD1 LEU A 156 -19.781 8.212 4.652 1.00 9.52 C +ATOM 236 CD2 LEU A 156 -18.500 10.317 4.908 1.00 9.56 C +ATOM 237 H LEU A 156 -15.702 7.389 5.278 1.00 0.00 H +ATOM 238 HA LEU A 156 -16.425 9.857 6.715 1.00 0.00 H +ATOM 239 HB2 LEU A 156 -18.001 7.287 6.396 1.00 0.00 H +ATOM 240 HB3 LEU A 156 -18.586 8.713 7.088 1.00 0.00 H +ATOM 241 HG LEU A 156 -17.709 8.492 4.182 1.00 0.00 H +ATOM 242 HD11 LEU A 156 -20.126 8.548 3.674 1.00 0.00 H +ATOM 243 HD12 LEU A 156 -19.703 7.125 4.655 1.00 0.00 H +ATOM 244 HD13 LEU A 156 -20.492 8.527 5.416 1.00 0.00 H +ATOM 245 HD21 LEU A 156 -18.867 10.635 3.932 1.00 0.00 H +ATOM 246 HD22 LEU A 156 -19.185 10.661 5.682 1.00 0.00 H +ATOM 247 HD23 LEU A 156 -17.512 10.744 5.081 1.00 0.00 H +ATOM 248 N GLY A 157 -15.665 7.057 8.228 1.00 10.73 N +ATOM 249 CA GLY A 157 -15.387 6.438 9.511 1.00 12.79 C +ATOM 250 C GLY A 157 -14.443 5.265 9.318 1.00 13.97 C +ATOM 251 O GLY A 157 -14.335 4.683 8.239 1.00 11.94 O +ATOM 252 H GLY A 157 -15.455 6.516 7.401 1.00 0.00 H +ATOM 253 HA2 GLY A 157 -14.926 7.170 10.175 1.00 0.00 H +ATOM 254 HA3 GLY A 157 -16.319 6.085 9.953 1.00 0.00 H +ATOM 255 N LYS A 158 -13.725 4.933 10.370 1.00 16.33 N +ATOM 256 CA LYS A 158 -12.740 3.866 10.314 1.00 16.48 C +ATOM 257 C LYS A 158 -12.590 3.298 11.706 1.00 16.38 C +ATOM 258 O LYS A 158 -12.759 4.006 12.690 1.00 17.03 O +ATOM 259 CB LYS A 158 -11.401 4.407 9.797 1.00 16.98 C +ATOM 260 CG LYS A 158 -10.326 3.372 9.560 1.00 23.64 C +ATOM 261 CD LYS A 158 -9.089 4.031 8.984 1.00 25.70 C +ATOM 262 CE LYS A 158 -7.939 3.045 8.827 1.00 38.66 C +ATOM 263 NZ LYS A 158 -8.166 2.133 7.668 1.00 45.54 N1+ +ATOM 264 H LYS A 158 -13.852 5.424 11.243 1.00 0.00 H +ATOM 265 HA LYS A 158 -13.095 3.084 9.643 1.00 0.00 H +ATOM 266 HB2 LYS A 158 -11.570 4.967 8.878 1.00 0.00 H +ATOM 267 HB3 LYS A 158 -11.027 5.163 10.488 1.00 0.00 H +ATOM 268 HG2 LYS A 158 -10.074 2.888 10.504 1.00 0.00 H +ATOM 269 HG3 LYS A 158 -10.694 2.619 8.863 1.00 0.00 H +ATOM 270 HD2 LYS A 158 -9.328 4.466 8.014 1.00 0.00 H +ATOM 271 HD3 LYS A 158 -8.779 4.850 9.633 1.00 0.00 H +ATOM 272 HE2 LYS A 158 -7.008 3.593 8.680 1.00 0.00 H +ATOM 273 HE3 LYS A 158 -7.839 2.456 9.738 1.00 0.00 H +ATOM 274 HZ1 LYS A 158 -7.390 1.491 7.587 1.00 0.00 H +ATOM 275 HZ2 LYS A 158 -9.020 1.612 7.811 1.00 0.00 H +ATOM 276 HZ3 LYS A 158 -8.242 2.677 6.821 1.00 0.00 H +ATOM 277 N GLY A 159 -12.254 2.016 11.768 1.00 17.66 N +ATOM 278 CA GLY A 159 -12.077 1.313 13.039 1.00 21.03 C +ATOM 279 C GLY A 159 -11.225 0.077 12.866 1.00 19.32 C +ATOM 280 O GLY A 159 -10.704 -0.192 11.787 1.00 22.52 O +ATOM 281 H GLY A 159 -12.111 1.490 10.918 1.00 0.00 H +ATOM 282 HA2 GLY A 159 -11.606 1.981 13.760 1.00 0.00 H +ATOM 283 HA3 GLY A 159 -13.052 1.029 13.435 1.00 0.00 H +ATOM 284 N THR A 160 -11.111 -0.702 13.937 1.00 26.25 N +ATOM 285 CA THR A 160 -10.255 -1.882 13.912 1.00 27.96 C +ATOM 286 C THR A 160 -10.705 -2.889 12.853 1.00 27.13 C +ATOM 287 O THR A 160 -9.866 -3.539 12.216 1.00 29.63 O +ATOM 288 CB THR A 160 -10.137 -2.523 15.317 1.00 25.29 C +ATOM 289 CG2 THR A 160 -9.426 -1.585 16.252 1.00 32.54 C +ATOM 290 OG1 THR A 160 -11.435 -2.781 15.846 1.00 36.09 O +ATOM 291 H THR A 160 -11.620 -0.479 14.780 1.00 0.00 H +ATOM 292 HA THR A 160 -9.257 -1.546 13.630 1.00 0.00 H +ATOM 293 HB THR A 160 -9.580 -3.457 15.246 1.00 0.00 H +ATOM 294 HG1 THR A 160 -11.353 -3.178 16.716 1.00 0.00 H +ATOM 295 HG21 THR A 160 -9.347 -2.044 17.238 1.00 0.00 H +ATOM 296 HG22 THR A 160 -8.427 -1.376 15.868 1.00 0.00 H +ATOM 297 HG23 THR A 160 -9.987 -0.654 16.329 1.00 0.00 H +ATOM 298 N PHE A 161 -12.013 -2.977 12.606 1.00 27.03 N +ATOM 299 CA PHE A 161 -12.536 -3.991 11.675 1.00 26.34 C +ATOM 300 C PHE A 161 -12.653 -3.550 10.215 1.00 25.09 C +ATOM 301 O PHE A 161 -12.733 -4.387 9.318 1.00 25.12 O +ATOM 302 CB PHE A 161 -13.852 -4.558 12.189 1.00 27.57 C +ATOM 303 CG PHE A 161 -13.795 -4.944 13.626 1.00 30.70 C +ATOM 304 CD1 PHE A 161 -12.886 -5.897 14.056 1.00 39.20 C +ATOM 305 CD2 PHE A 161 -14.612 -4.329 14.561 1.00 35.63 C +ATOM 306 CE1 PHE A 161 -12.808 -6.243 15.385 1.00 37.13 C +ATOM 307 CE2 PHE A 161 -14.534 -4.671 15.895 1.00 40.96 C +ATOM 308 CZ PHE A 161 -13.630 -5.633 16.308 1.00 35.87 C +ATOM 309 H PHE A 161 -12.656 -2.344 13.060 1.00 0.00 H +ATOM 310 HA PHE A 161 -11.823 -4.815 11.689 1.00 0.00 H +ATOM 311 HB2 PHE A 161 -14.644 -3.824 12.042 1.00 0.00 H +ATOM 312 HB3 PHE A 161 -14.130 -5.426 11.592 1.00 0.00 H +ATOM 313 HD1 PHE A 161 -12.229 -6.376 13.345 1.00 0.00 H +ATOM 314 HD2 PHE A 161 -15.318 -3.574 14.248 1.00 0.00 H +ATOM 315 HE1 PHE A 161 -12.102 -6.994 15.707 1.00 0.00 H +ATOM 316 HE2 PHE A 161 -15.178 -4.188 16.615 1.00 0.00 H +ATOM 317 HZ PHE A 161 -13.567 -5.906 17.351 1.00 0.00 H +ATOM 318 N GLY A 162 -12.621 -2.249 9.956 1.00 20.91 N +ATOM 319 CA GLY A 162 -12.718 -1.804 8.574 1.00 18.37 C +ATOM 320 C GLY A 162 -13.003 -0.330 8.445 1.00 18.02 C +ATOM 321 O GLY A 162 -12.730 0.433 9.371 1.00 17.30 O +ATOM 322 H GLY A 162 -12.531 -1.586 10.712 1.00 0.00 H +ATOM 323 HA2 GLY A 162 -11.791 -2.041 8.052 1.00 0.00 H +ATOM 324 HA3 GLY A 162 -13.499 -2.370 8.066 1.00 0.00 H +ATOM 325 N LYS A 163 -13.592 0.042 7.308 1.00 15.76 N +ATOM 326 CA LYS A 163 -13.847 1.447 6.994 1.00 15.52 C +ATOM 327 C LYS A 163 -15.194 1.662 6.333 1.00 12.55 C +ATOM 328 O LYS A 163 -15.825 0.724 5.819 1.00 12.67 O +ATOM 329 CB LYS A 163 -12.752 1.992 6.084 1.00 17.38 C +ATOM 330 CG LYS A 163 -12.680 1.346 4.720 1.00 20.39 C +ATOM 331 CD LYS A 163 -11.296 1.486 4.102 1.00 27.84 C +ATOM 332 CE LYS A 163 -11.170 0.654 2.838 1.00 34.30 C +ATOM 333 NZ LYS A 163 -9.855 0.870 2.151 1.00 40.22 N1+ +ATOM 334 H LYS A 163 -13.876 -0.655 6.635 1.00 0.00 H +ATOM 335 HA LYS A 163 -13.830 2.013 7.925 1.00 0.00 H +ATOM 336 HB2 LYS A 163 -12.882 3.068 5.967 1.00 0.00 H +ATOM 337 HB3 LYS A 163 -11.787 1.893 6.581 1.00 0.00 H +ATOM 338 HG2 LYS A 163 -12.934 0.289 4.805 1.00 0.00 H +ATOM 339 HG3 LYS A 163 -13.419 1.804 4.062 1.00 0.00 H +ATOM 340 HD2 LYS A 163 -11.108 2.534 3.867 1.00 0.00 H +ATOM 341 HD3 LYS A 163 -10.543 1.167 4.823 1.00 0.00 H +ATOM 342 HE2 LYS A 163 -11.280 -0.402 3.086 1.00 0.00 H +ATOM 343 HE3 LYS A 163 -11.981 0.906 2.155 1.00 0.00 H +ATOM 344 HZ1 LYS A 163 -9.812 0.300 1.318 1.00 0.00 H +ATOM 345 HZ2 LYS A 163 -9.763 1.843 1.898 1.00 0.00 H +ATOM 346 HZ3 LYS A 163 -9.103 0.612 2.774 1.00 0.00 H +ATOM 347 N VAL A 164 -15.637 2.909 6.393 1.00 10.61 N +ATOM 348 CA VAL A 164 -16.868 3.332 5.760 1.00 11.22 C +ATOM 349 C VAL A 164 -16.543 4.531 4.867 1.00 10.26 C +ATOM 350 O VAL A 164 -16.021 5.555 5.334 1.00 10.69 O +ATOM 351 CB VAL A 164 -17.963 3.679 6.781 1.00 9.72 C +ATOM 352 CG1 VAL A 164 -19.251 4.056 6.045 1.00 10.19 C +ATOM 353 CG2 VAL A 164 -18.217 2.518 7.734 1.00 12.16 C +ATOM 354 H VAL A 164 -15.110 3.609 6.896 1.00 0.00 H +ATOM 355 HA VAL A 164 -17.229 2.520 5.129 1.00 0.00 H +ATOM 356 HB VAL A 164 -17.633 4.539 7.364 1.00 0.00 H +ATOM 357 HG11 VAL A 164 -20.026 4.302 6.771 1.00 0.00 H +ATOM 358 HG12 VAL A 164 -19.066 4.919 5.406 1.00 0.00 H +ATOM 359 HG13 VAL A 164 -19.580 3.216 5.433 1.00 0.00 H +ATOM 360 HG21 VAL A 164 -18.997 2.794 8.444 1.00 0.00 H +ATOM 361 HG22 VAL A 164 -18.536 1.644 7.166 1.00 0.00 H +ATOM 362 HG23 VAL A 164 -17.300 2.284 8.275 1.00 0.00 H +ATOM 363 N ILE A 165 -16.879 4.386 3.588 1.00 9.62 N +ATOM 364 CA ILE A 165 -16.573 5.325 2.532 1.00 12.49 C +ATOM 365 C ILE A 165 -17.863 5.860 1.876 1.00 11.85 C +ATOM 366 O ILE A 165 -18.780 5.098 1.572 1.00 10.47 O +ATOM 367 CB ILE A 165 -15.636 4.660 1.487 1.00 17.09 C +ATOM 368 CG1 ILE A 165 -14.311 4.250 2.168 1.00 16.91 C +ATOM 369 CG2 ILE A 165 -15.376 5.619 0.318 1.00 14.90 C +ATOM 370 CD1 ILE A 165 -13.415 3.466 1.280 1.00 25.29 C +ATOM 371 H ILE A 165 -17.390 3.567 3.290 1.00 0.00 H +ATOM 372 HA ILE A 165 -16.043 6.169 2.973 1.00 0.00 H +ATOM 373 HB ILE A 165 -16.123 3.764 1.102 1.00 0.00 H +ATOM 374 HG12 ILE A 165 -13.789 5.143 2.511 1.00 0.00 H +ATOM 375 HG13 ILE A 165 -14.529 3.670 3.065 1.00 0.00 H +ATOM 376 HG21 ILE A 165 -14.718 5.139 -0.407 1.00 0.00 H +ATOM 377 HG22 ILE A 165 -16.321 5.872 -0.162 1.00 0.00 H +ATOM 378 HG23 ILE A 165 -14.904 6.528 0.691 1.00 0.00 H +ATOM 379 HD11 ILE A 165 -12.503 3.210 1.818 1.00 0.00 H +ATOM 380 HD12 ILE A 165 -13.921 2.552 0.968 1.00 0.00 H +ATOM 381 HD13 ILE A 165 -13.163 4.060 0.401 1.00 0.00 H +ATOM 382 N LEU A 166 -17.905 7.168 1.658 1.00 10.64 N +ATOM 383 CA LEU A 166 -18.902 7.803 0.827 1.00 9.13 C +ATOM 384 C LEU A 166 -18.665 7.434 -0.621 1.00 9.61 C +ATOM 385 O LEU A 166 -17.602 7.707 -1.167 1.00 11.08 O +ATOM 386 CB LEU A 166 -18.836 9.318 1.010 1.00 10.12 C +ATOM 387 CG LEU A 166 -19.817 10.134 0.144 1.00 8.49 C +ATOM 388 CD1 LEU A 166 -21.245 9.821 0.518 1.00 13.22 C +ATOM 389 CD2 LEU A 166 -19.569 11.612 0.295 1.00 13.65 C +ATOM 390 H LEU A 166 -17.217 7.773 2.083 1.00 0.00 H +ATOM 391 HA LEU A 166 -19.890 7.452 1.126 1.00 0.00 H +ATOM 392 HB2 LEU A 166 -18.995 9.561 2.061 1.00 0.00 H +ATOM 393 HB3 LEU A 166 -17.818 9.660 0.820 1.00 0.00 H +ATOM 394 HG LEU A 166 -19.665 9.862 -0.901 1.00 0.00 H +ATOM 395 HD11 LEU A 166 -21.921 10.407 -0.105 1.00 0.00 H +ATOM 396 HD12 LEU A 166 -21.437 8.759 0.363 1.00 0.00 H +ATOM 397 HD13 LEU A 166 -21.410 10.070 1.566 1.00 0.00 H +ATOM 398 HD21 LEU A 166 -20.274 12.165 -0.326 1.00 0.00 H +ATOM 399 HD22 LEU A 166 -19.702 11.899 1.338 1.00 0.00 H +ATOM 400 HD23 LEU A 166 -18.551 11.844 -0.018 1.00 0.00 H +ATOM 401 N VAL A 167 -19.682 6.855 -1.253 1.00 9.68 N +ATOM 402 CA VAL A 167 -19.619 6.391 -2.629 1.00 10.54 C +ATOM 403 C VAL A 167 -20.771 6.915 -3.468 1.00 12.20 C +ATOM 404 O VAL A 167 -21.830 7.305 -2.958 1.00 10.38 O +ATOM 405 CB VAL A 167 -19.594 4.822 -2.742 1.00 8.97 C +ATOM 406 CG1 VAL A 167 -18.437 4.201 -1.962 1.00 12.15 C +ATOM 407 CG2 VAL A 167 -20.938 4.247 -2.298 1.00 10.71 C +ATOM 408 H VAL A 167 -20.561 6.717 -0.775 1.00 0.00 H +ATOM 409 HA VAL A 167 -18.694 6.769 -3.064 1.00 0.00 H +ATOM 410 HB VAL A 167 -19.457 4.569 -3.793 1.00 0.00 H +ATOM 411 HG11 VAL A 167 -18.464 3.117 -2.072 1.00 0.00 H +ATOM 412 HG12 VAL A 167 -17.492 4.581 -2.349 1.00 0.00 H +ATOM 413 HG13 VAL A 167 -18.528 4.461 -0.907 1.00 0.00 H +ATOM 414 HG21 VAL A 167 -20.913 3.160 -2.379 1.00 0.00 H +ATOM 415 HG22 VAL A 167 -21.131 4.530 -1.263 1.00 0.00 H +ATOM 416 HG23 VAL A 167 -21.730 4.640 -2.935 1.00 0.00 H +ATOM 417 N LYS A 168 -20.530 6.945 -4.773 1.00 11.93 N +ATOM 418 CA LYS A 168 -21.535 7.201 -5.803 1.00 11.36 C +ATOM 419 C LYS A 168 -21.668 5.975 -6.678 1.00 12.62 C +ATOM 420 O LYS A 168 -20.656 5.488 -7.204 1.00 11.46 O +ATOM 421 CB LYS A 168 -21.117 8.364 -6.688 1.00 12.98 C +ATOM 422 CG LYS A 168 -22.191 8.795 -7.659 1.00 15.68 C +ATOM 423 CD LYS A 168 -21.656 9.805 -8.707 1.00 17.52 C +ATOM 424 CE LYS A 168 -20.719 9.144 -9.720 1.00 19.29 C +ATOM 425 NZ LYS A 168 -20.491 9.938 -10.979 1.00 21.44 N1+ +ATOM 426 H LYS A 168 -19.594 6.783 -5.118 1.00 0.00 H +ATOM 427 HA LYS A 168 -22.493 7.423 -5.334 1.00 0.00 H +ATOM 428 HB2 LYS A 168 -20.833 9.211 -6.063 1.00 0.00 H +ATOM 429 HB3 LYS A 168 -20.217 8.093 -7.240 1.00 0.00 H +ATOM 430 HG2 LYS A 168 -22.590 7.919 -8.170 1.00 0.00 H +ATOM 431 HG3 LYS A 168 -23.017 9.246 -7.109 1.00 0.00 H +ATOM 432 HD2 LYS A 168 -22.495 10.260 -9.233 1.00 0.00 H +ATOM 433 HD3 LYS A 168 -21.128 10.611 -8.197 1.00 0.00 H +ATOM 434 HE2 LYS A 168 -19.760 8.939 -9.244 1.00 0.00 H +ATOM 435 HE3 LYS A 168 -21.106 8.159 -9.980 1.00 0.00 H +ATOM 436 HZ1 LYS A 168 -19.864 9.432 -11.588 1.00 0.00 H +ATOM 437 HZ2 LYS A 168 -21.373 10.084 -11.450 1.00 0.00 H +ATOM 438 HZ3 LYS A 168 -20.083 10.832 -10.745 1.00 0.00 H +ATOM 439 N GLU A 169 -22.900 5.473 -6.837 1.00 11.70 N +ATOM 440 CA GLU A 169 -23.186 4.443 -7.836 1.00 13.97 C +ATOM 441 C GLU A 169 -23.165 5.140 -9.200 1.00 12.81 C +ATOM 442 O GLU A 169 -24.006 6.004 -9.484 1.00 14.11 O +ATOM 443 CB GLU A 169 -24.539 3.752 -7.604 1.00 14.39 C +ATOM 444 CG GLU A 169 -24.714 2.550 -8.531 1.00 16.11 C +ATOM 445 CD GLU A 169 -25.957 1.698 -8.296 1.00 23.16 C +ATOM 446 OE1 GLU A 169 -26.657 1.905 -7.309 1.00 24.90 O +ATOM 447 OE2 GLU A 169 -26.224 0.817 -9.143 1.00 31.13 O1- +ATOM 448 H GLU A 169 -23.659 5.805 -6.259 1.00 0.00 H +ATOM 449 HA GLU A 169 -22.395 3.693 -7.809 1.00 0.00 H +ATOM 450 HB2 GLU A 169 -24.605 3.423 -6.567 1.00 0.00 H +ATOM 451 HB3 GLU A 169 -25.345 4.465 -7.778 1.00 0.00 H +ATOM 452 HG2 GLU A 169 -24.702 2.890 -9.567 1.00 0.00 H +ATOM 453 HG3 GLU A 169 -23.828 1.918 -8.471 1.00 0.00 H +ATOM 454 N LYS A 170 -22.176 4.781 -10.015 1.00 13.84 N +ATOM 455 CA LYS A 170 -21.941 5.439 -11.319 1.00 17.68 C +ATOM 456 C LYS A 170 -23.160 5.420 -12.232 1.00 15.09 C +ATOM 457 O LYS A 170 -23.494 6.431 -12.834 1.00 17.97 O +ATOM 458 CB LYS A 170 -20.760 4.801 -12.049 1.00 18.21 C +ATOM 459 CG LYS A 170 -19.433 5.011 -11.375 1.00 20.18 C +ATOM 460 CD LYS A 170 -18.421 4.023 -11.939 1.00 23.87 C +ATOM 461 CE LYS A 170 -17.049 4.208 -11.403 1.00 33.46 C +ATOM 462 NZ LYS A 170 -16.192 3.175 -12.060 1.00 30.78 N1+ +ATOM 463 H LYS A 170 -21.551 4.033 -9.751 1.00 0.00 H +ATOM 464 HA LYS A 170 -21.688 6.481 -11.124 1.00 0.00 H +ATOM 465 HB2 LYS A 170 -20.941 3.732 -12.165 1.00 0.00 H +ATOM 466 HB3 LYS A 170 -20.713 5.187 -13.067 1.00 0.00 H +ATOM 467 HG2 LYS A 170 -19.089 6.029 -11.560 1.00 0.00 H +ATOM 468 HG3 LYS A 170 -19.541 4.848 -10.303 1.00 0.00 H +ATOM 469 HD2 LYS A 170 -18.755 3.006 -11.734 1.00 0.00 H +ATOM 470 HD3 LYS A 170 -18.399 4.108 -13.025 1.00 0.00 H +ATOM 471 HE2 LYS A 170 -16.687 5.201 -11.669 1.00 0.00 H +ATOM 472 HE3 LYS A 170 -17.055 4.042 -10.326 1.00 0.00 H +ATOM 473 HZ1 LYS A 170 -15.243 3.262 -11.725 1.00 0.00 H +ATOM 474 HZ2 LYS A 170 -16.544 2.255 -11.839 1.00 0.00 H +ATOM 475 HZ3 LYS A 170 -16.209 3.310 -13.061 1.00 0.00 H +ATOM 476 N ALA A 171 -23.835 4.277 -12.332 1.00 17.73 N +ATOM 477 CA ALA A 171 -24.960 4.128 -13.259 1.00 18.23 C +ATOM 478 C ALA A 171 -26.180 4.985 -12.920 1.00 19.77 C +ATOM 479 O ALA A 171 -26.920 5.394 -13.814 1.00 22.81 O +ATOM 480 CB ALA A 171 -25.351 2.672 -13.360 1.00 18.73 C +ATOM 481 H ALA A 171 -23.575 3.486 -11.761 1.00 0.00 H +ATOM 482 HA ALA A 171 -24.611 4.438 -14.244 1.00 0.00 H +ATOM 483 HB1 ALA A 171 -26.188 2.567 -14.050 1.00 0.00 H +ATOM 484 HB2 ALA A 171 -24.504 2.092 -13.726 1.00 0.00 H +ATOM 485 HB3 ALA A 171 -25.644 2.305 -12.376 1.00 0.00 H +ATOM 486 N THR A 172 -26.400 5.263 -11.638 1.00 15.78 N +ATOM 487 CA THR A 172 -27.585 5.984 -11.186 1.00 16.54 C +ATOM 488 C THR A 172 -27.314 7.395 -10.660 1.00 14.71 C +ATOM 489 O THR A 172 -28.244 8.183 -10.527 1.00 18.05 O +ATOM 490 CB THR A 172 -28.275 5.226 -10.037 1.00 16.12 C +ATOM 491 CG2 THR A 172 -28.679 3.826 -10.466 1.00 20.35 C +ATOM 492 OG1 THR A 172 -27.381 5.169 -8.911 1.00 14.54 O +ATOM 493 H THR A 172 -25.734 4.973 -10.937 1.00 0.00 H +ATOM 494 HA THR A 172 -28.283 6.056 -12.020 1.00 0.00 H +ATOM 495 HB THR A 172 -29.171 5.774 -9.745 1.00 0.00 H +ATOM 496 HG1 THR A 172 -27.804 4.698 -8.190 1.00 0.00 H +ATOM 497 HG21 THR A 172 -29.164 3.316 -9.633 1.00 0.00 H +ATOM 498 HG22 THR A 172 -29.371 3.888 -11.306 1.00 0.00 H +ATOM 499 HG23 THR A 172 -27.793 3.268 -10.767 1.00 0.00 H +ATOM 500 N GLY A 173 -26.063 7.700 -10.319 1.00 15.78 N +ATOM 501 CA GLY A 173 -25.721 8.977 -9.692 1.00 14.12 C +ATOM 502 C GLY A 173 -26.109 9.128 -8.232 1.00 14.88 C +ATOM 503 O GLY A 173 -25.980 10.206 -7.680 1.00 15.74 O +ATOM 504 H GLY A 173 -25.317 7.041 -10.492 1.00 0.00 H +ATOM 505 HA2 GLY A 173 -24.651 9.155 -9.800 1.00 0.00 H +ATOM 506 HA3 GLY A 173 -26.164 9.790 -10.268 1.00 0.00 H +ATOM 507 N ARG A 174 -26.590 8.047 -7.616 1.00 14.25 N +ATOM 508 CA ARG A 174 -27.014 8.061 -6.223 1.00 12.95 C +ATOM 509 C ARG A 174 -25.838 7.829 -5.279 1.00 13.99 C +ATOM 510 O ARG A 174 -24.874 7.122 -5.638 1.00 12.25 O +ATOM 511 CB ARG A 174 -28.116 7.031 -5.995 1.00 15.55 C +ATOM 512 CG ARG A 174 -29.381 7.428 -6.722 1.00 18.78 C +ATOM 513 CD ARG A 174 -30.484 6.448 -6.535 1.00 24.92 C +ATOM 514 NE ARG A 174 -31.622 6.811 -7.380 1.00 30.49 N +ATOM 515 CZ ARG A 174 -32.825 6.243 -7.326 1.00 43.32 C +ATOM 516 NH1 ARG A 174 -33.086 5.273 -6.446 1.00 41.69 N1+ +ATOM 517 NH2 ARG A 174 -33.781 6.663 -8.151 1.00 42.67 N1+ +ATOM 518 H ARG A 174 -26.672 7.174 -8.118 1.00 0.00 H +ATOM 519 HA ARG A 174 -27.427 9.047 -6.008 1.00 0.00 H +ATOM 520 HB2 ARG A 174 -27.782 6.057 -6.353 1.00 0.00 H +ATOM 521 HB3 ARG A 174 -28.321 6.949 -4.928 1.00 0.00 H +ATOM 522 HG2 ARG A 174 -29.705 8.409 -6.375 1.00 0.00 H +ATOM 523 HG3 ARG A 174 -29.169 7.536 -7.786 1.00 0.00 H +ATOM 524 HD2 ARG A 174 -30.134 5.452 -6.805 1.00 0.00 H +ATOM 525 HD3 ARG A 174 -30.794 6.445 -5.490 1.00 0.00 H +ATOM 526 HE ARG A 174 -31.443 7.553 -8.042 1.00 0.00 H +ATOM 527 HH11 ARG A 174 -32.366 4.961 -5.810 1.00 0.00 H +ATOM 528 HH12 ARG A 174 -34.003 4.851 -6.417 1.00 0.00 H +ATOM 529 HH21 ARG A 174 -33.590 7.405 -8.809 1.00 0.00 H +ATOM 530 HH22 ARG A 174 -34.697 6.240 -8.119 1.00 0.00 H +ATOM 531 N TYR A 175 -25.926 8.434 -4.086 1.00 11.70 N +ATOM 532 CA TYR A 175 -24.859 8.391 -3.084 1.00 10.30 C +ATOM 533 C TYR A 175 -25.232 7.500 -1.906 1.00 10.71 C +ATOM 534 O TYR A 175 -26.414 7.461 -1.486 1.00 11.02 O +ATOM 535 CB TYR A 175 -24.489 9.810 -2.604 1.00 10.60 C +ATOM 536 CG TYR A 175 -23.981 10.686 -3.735 1.00 12.79 C +ATOM 537 CD1 TYR A 175 -22.633 10.796 -4.014 1.00 14.42 C +ATOM 538 CD2 TYR A 175 -24.872 11.374 -4.541 1.00 12.39 C +ATOM 539 CE1 TYR A 175 -22.186 11.590 -5.063 1.00 16.19 C +ATOM 540 CE2 TYR A 175 -24.432 12.175 -5.585 1.00 11.89 C +ATOM 541 CZ TYR A 175 -23.094 12.269 -5.843 1.00 17.76 C +ATOM 542 OH TYR A 175 -22.665 13.052 -6.896 1.00 19.03 O +ATOM 543 H TYR A 175 -26.759 8.951 -3.842 1.00 0.00 H +ATOM 544 HA TYR A 175 -23.977 7.961 -3.558 1.00 0.00 H +ATOM 545 HB2 TYR A 175 -25.362 10.277 -2.148 1.00 0.00 H +ATOM 546 HB3 TYR A 175 -23.727 9.743 -1.827 1.00 0.00 H +ATOM 547 HD1 TYR A 175 -21.912 10.261 -3.414 1.00 0.00 H +ATOM 548 HD2 TYR A 175 -25.934 11.293 -4.363 1.00 0.00 H +ATOM 549 HE1 TYR A 175 -21.128 11.673 -5.265 1.00 0.00 H +ATOM 550 HE2 TYR A 175 -25.146 12.718 -6.187 1.00 0.00 H +ATOM 551 HH TYR A 175 -23.424 13.450 -7.329 1.00 0.00 H +ATOM 552 N TYR A 176 -24.232 6.799 -1.386 1.00 12.86 N +ATOM 553 CA TYR A 176 -24.377 5.842 -0.297 1.00 11.55 C +ATOM 554 C TYR A 176 -23.152 5.836 0.613 1.00 10.56 C +ATOM 555 O TYR A 176 -22.107 6.363 0.248 1.00 9.57 O +ATOM 556 CB TYR A 176 -24.567 4.436 -0.879 1.00 9.44 C +ATOM 557 CG TYR A 176 -25.768 4.275 -1.773 1.00 10.25 C +ATOM 558 CD1 TYR A 176 -27.040 4.120 -1.251 1.00 11.86 C +ATOM 559 CD2 TYR A 176 -25.609 4.281 -3.137 1.00 12.72 C +ATOM 560 CE1 TYR A 176 -28.134 3.989 -2.097 1.00 14.31 C +ATOM 561 CE2 TYR A 176 -26.679 4.171 -3.999 1.00 13.56 C +ATOM 562 CZ TYR A 176 -27.939 4.027 -3.474 1.00 12.73 C +ATOM 563 OH TYR A 176 -29.012 3.893 -4.326 1.00 18.25 O +ATOM 564 H TYR A 176 -23.295 6.912 -1.746 1.00 0.00 H +ATOM 565 HA TYR A 176 -25.256 6.104 0.292 1.00 0.00 H +ATOM 566 HB2 TYR A 176 -23.669 4.148 -1.426 1.00 0.00 H +ATOM 567 HB3 TYR A 176 -24.624 3.713 -0.065 1.00 0.00 H +ATOM 568 HD1 TYR A 176 -27.186 4.100 -0.181 1.00 0.00 H +ATOM 569 HD2 TYR A 176 -24.622 4.374 -3.565 1.00 0.00 H +ATOM 570 HE1 TYR A 176 -29.123 3.859 -1.684 1.00 0.00 H +ATOM 571 HE2 TYR A 176 -26.518 4.199 -5.066 1.00 0.00 H +ATOM 572 HH TYR A 176 -28.707 3.941 -5.235 1.00 0.00 H +ATOM 573 N ALA A 177 -23.299 5.302 1.823 1.00 9.53 N +ATOM 574 CA ALA A 177 -22.158 4.930 2.667 1.00 9.44 C +ATOM 575 C ALA A 177 -21.871 3.458 2.460 1.00 10.63 C +ATOM 576 O ALA A 177 -22.762 2.621 2.683 1.00 9.29 O +ATOM 577 CB ALA A 177 -22.473 5.205 4.126 1.00 11.85 C +ATOM 578 H ALA A 177 -24.224 5.138 2.194 1.00 0.00 H +ATOM 579 HA ALA A 177 -21.286 5.512 2.371 1.00 0.00 H +ATOM 580 HB1 ALA A 177 -21.618 4.925 4.742 1.00 0.00 H +ATOM 581 HB2 ALA A 177 -22.684 6.266 4.259 1.00 0.00 H +ATOM 582 HB3 ALA A 177 -23.344 4.622 4.426 1.00 0.00 H +ATOM 583 N MET A 178 -20.656 3.135 2.028 1.00 9.58 N +ATOM 584 CA MET A 178 -20.212 1.750 1.894 1.00 9.15 C +ATOM 585 C MET A 178 -19.262 1.322 2.985 1.00 10.50 C +ATOM 586 O MET A 178 -18.134 1.843 3.094 1.00 9.05 O +ATOM 587 CB MET A 178 -19.567 1.482 0.534 1.00 10.06 C +ATOM 588 CG MET A 178 -19.258 -0.018 0.304 1.00 10.61 C +ATOM 589 SD MET A 178 -18.205 -0.481 -1.080 1.00 13.06 S +ATOM 590 CE MET A 178 -19.266 0.022 -2.411 1.00 11.76 C +ATOM 591 H MET A 178 -20.000 3.861 1.778 1.00 0.00 H +ATOM 592 HA MET A 178 -21.096 1.116 1.965 1.00 0.00 H +ATOM 593 HB2 MET A 178 -20.226 1.841 -0.256 1.00 0.00 H +ATOM 594 HB3 MET A 178 -18.646 2.059 0.450 1.00 0.00 H +ATOM 595 HG2 MET A 178 -18.848 -0.442 1.221 1.00 0.00 H +ATOM 596 HG3 MET A 178 -20.196 -0.569 0.237 1.00 0.00 H +ATOM 597 HE1 MET A 178 -18.779 -0.188 -3.363 1.00 0.00 H +ATOM 598 HE2 MET A 178 -20.206 -0.528 -2.355 1.00 0.00 H +ATOM 599 HE3 MET A 178 -19.466 1.091 -2.333 1.00 0.00 H +ATOM 600 N LYS A 179 -19.720 0.372 3.801 1.00 9.33 N +ATOM 601 CA LYS A 179 -18.872 -0.258 4.815 1.00 8.27 C +ATOM 602 C LYS A 179 -18.136 -1.397 4.131 1.00 9.72 C +ATOM 603 O LYS A 179 -18.742 -2.258 3.514 1.00 12.12 O +ATOM 604 CB LYS A 179 -19.653 -0.721 6.042 1.00 12.56 C +ATOM 605 CG LYS A 179 -18.816 -1.473 7.036 1.00 11.86 C +ATOM 606 CD LYS A 179 -19.393 -1.381 8.448 1.00 17.32 C +ATOM 607 CE LYS A 179 -20.711 -2.076 8.615 1.00 21.31 C +ATOM 608 NZ LYS A 179 -21.114 -1.989 10.076 1.00 18.88 N1+ +ATOM 609 H LYS A 179 -20.680 0.066 3.731 1.00 0.00 H +ATOM 610 HA LYS A 179 -18.133 0.474 5.141 1.00 0.00 H +ATOM 611 HB2 LYS A 179 -20.105 0.142 6.530 1.00 0.00 H +ATOM 612 HB3 LYS A 179 -20.487 -1.347 5.725 1.00 0.00 H +ATOM 613 HG2 LYS A 179 -18.752 -2.519 6.738 1.00 0.00 H +ATOM 614 HG3 LYS A 179 -17.802 -1.074 7.032 1.00 0.00 H +ATOM 615 HD2 LYS A 179 -18.676 -1.791 9.159 1.00 0.00 H +ATOM 616 HD3 LYS A 179 -19.499 -0.333 8.727 1.00 0.00 H +ATOM 617 HE2 LYS A 179 -21.463 -1.580 8.001 1.00 0.00 H +ATOM 618 HE3 LYS A 179 -20.608 -3.123 8.329 1.00 0.00 H +ATOM 619 HZ1 LYS A 179 -22.001 -2.453 10.209 1.00 0.00 H +ATOM 620 HZ2 LYS A 179 -20.412 -2.437 10.647 1.00 0.00 H +ATOM 621 HZ3 LYS A 179 -21.198 -1.019 10.346 1.00 0.00 H +ATOM 622 N ILE A 180 -16.819 -1.354 4.218 1.00 11.03 N +ATOM 623 CA ILE A 180 -15.937 -2.354 3.619 1.00 11.32 C +ATOM 624 C ILE A 180 -15.119 -3.028 4.737 1.00 11.95 C +ATOM 625 O ILE A 180 -14.384 -2.369 5.464 1.00 13.41 O +ATOM 626 CB ILE A 180 -14.974 -1.707 2.605 1.00 12.24 C +ATOM 627 CG1 ILE A 180 -15.768 -0.970 1.536 1.00 11.70 C +ATOM 628 CG2 ILE A 180 -14.044 -2.764 1.991 1.00 15.84 C +ATOM 629 CD1 ILE A 180 -14.913 -0.133 0.595 1.00 15.48 C +ATOM 630 H ILE A 180 -16.370 -0.601 4.719 1.00 0.00 H +ATOM 631 HA ILE A 180 -16.540 -3.107 3.112 1.00 0.00 H +ATOM 632 HB ILE A 180 -14.360 -0.979 3.135 1.00 0.00 H +ATOM 633 HG12 ILE A 180 -16.346 -1.689 0.956 1.00 0.00 H +ATOM 634 HG13 ILE A 180 -16.511 -0.331 2.014 1.00 0.00 H +ATOM 635 HG21 ILE A 180 -13.372 -2.287 1.278 1.00 0.00 H +ATOM 636 HG22 ILE A 180 -13.459 -3.237 2.780 1.00 0.00 H +ATOM 637 HG23 ILE A 180 -14.640 -3.519 1.479 1.00 0.00 H +ATOM 638 HD11 ILE A 180 -15.553 0.360 -0.137 1.00 0.00 H +ATOM 639 HD12 ILE A 180 -14.371 0.619 1.168 1.00 0.00 H +ATOM 640 HD13 ILE A 180 -14.202 -0.778 0.079 1.00 0.00 H +ATOM 641 N LEU A 181 -15.320 -4.338 4.876 1.00 12.09 N +ATOM 642 CA LEU A 181 -14.649 -5.153 5.891 1.00 12.60 C +ATOM 643 C LEU A 181 -13.750 -6.179 5.228 1.00 14.11 C +ATOM 644 O LEU A 181 -14.157 -6.830 4.285 1.00 15.49 O +ATOM 645 CB LEU A 181 -15.674 -5.881 6.762 1.00 14.12 C +ATOM 646 CG LEU A 181 -16.779 -5.036 7.390 1.00 14.99 C +ATOM 647 CD1 LEU A 181 -17.720 -5.901 8.193 1.00 21.13 C +ATOM 648 CD2 LEU A 181 -16.198 -3.911 8.231 1.00 16.40 C +ATOM 649 H LEU A 181 -15.963 -4.818 4.263 1.00 0.00 H +ATOM 650 HA LEU A 181 -14.042 -4.505 6.523 1.00 0.00 H +ATOM 651 HB2 LEU A 181 -16.125 -6.689 6.186 1.00 0.00 H +ATOM 652 HB3 LEU A 181 -15.152 -6.429 7.547 1.00 0.00 H +ATOM 653 HG LEU A 181 -17.352 -4.584 6.581 1.00 0.00 H +ATOM 654 HD11 LEU A 181 -18.500 -5.279 8.632 1.00 0.00 H +ATOM 655 HD12 LEU A 181 -18.174 -6.647 7.541 1.00 0.00 H +ATOM 656 HD13 LEU A 181 -17.166 -6.402 8.987 1.00 0.00 H +ATOM 657 HD21 LEU A 181 -17.008 -3.326 8.666 1.00 0.00 H +ATOM 658 HD22 LEU A 181 -15.586 -4.332 9.029 1.00 0.00 H +ATOM 659 HD23 LEU A 181 -15.582 -3.267 7.602 1.00 0.00 H +ATOM 660 N LYS A 182 -12.539 -6.331 5.758 1.00 14.74 N +ATOM 661 CA LYS A 182 -11.649 -7.396 5.321 1.00 17.15 C +ATOM 662 C LYS A 182 -12.015 -8.695 6.038 1.00 15.26 C +ATOM 663 O LYS A 182 -12.015 -8.770 7.270 1.00 17.52 O +ATOM 664 CB LYS A 182 -10.196 -7.035 5.597 1.00 20.02 C +ATOM 665 CG LYS A 182 -9.667 -5.888 4.755 1.00 26.95 C +ATOM 666 CD LYS A 182 -8.295 -5.437 5.251 1.00 37.19 C +ATOM 667 CE LYS A 182 -7.778 -4.216 4.491 1.00 42.36 C +ATOM 668 NZ LYS A 182 -6.755 -3.465 5.277 1.00 47.16 N1+ +ATOM 669 H LYS A 182 -12.221 -5.700 6.479 1.00 0.00 H +ATOM 670 HA LYS A 182 -11.776 -7.540 4.248 1.00 0.00 H +ATOM 671 HB2 LYS A 182 -10.079 -6.792 6.653 1.00 0.00 H +ATOM 672 HB3 LYS A 182 -9.570 -7.914 5.444 1.00 0.00 H +ATOM 673 HG2 LYS A 182 -9.590 -6.206 3.715 1.00 0.00 H +ATOM 674 HG3 LYS A 182 -10.364 -5.051 4.803 1.00 0.00 H +ATOM 675 HD2 LYS A 182 -8.352 -5.204 6.314 1.00 0.00 H +ATOM 676 HD3 LYS A 182 -7.584 -6.257 5.146 1.00 0.00 H +ATOM 677 HE2 LYS A 182 -7.344 -4.536 3.543 1.00 0.00 H +ATOM 678 HE3 LYS A 182 -8.612 -3.555 4.256 1.00 0.00 H +ATOM 679 HZ1 LYS A 182 -6.438 -2.668 4.744 1.00 0.00 H +ATOM 680 HZ2 LYS A 182 -7.163 -3.148 6.145 1.00 0.00 H +ATOM 681 HZ3 LYS A 182 -5.971 -4.070 5.475 1.00 0.00 H +ATOM 682 N LYS A 183 -12.335 -9.711 5.242 1.00 17.01 N +ATOM 683 CA LYS A 183 -12.628 -11.046 5.739 1.00 15.97 C +ATOM 684 C LYS A 183 -11.596 -11.566 6.739 1.00 15.38 C +ATOM 685 O LYS A 183 -11.968 -12.081 7.790 1.00 16.20 O +ATOM 686 CB LYS A 183 -12.795 -12.022 4.563 1.00 12.61 C +ATOM 687 CG LYS A 183 -14.074 -11.818 3.806 1.00 16.27 C +ATOM 688 CD LYS A 183 -14.196 -12.808 2.665 1.00 19.04 C +ATOM 689 CE LYS A 183 -15.482 -12.606 1.898 1.00 16.78 C +ATOM 690 NZ LYS A 183 -15.635 -13.572 0.773 1.00 16.18 N1+ +ATOM 691 H LYS A 183 -12.383 -9.574 4.243 1.00 0.00 H +ATOM 692 HA LYS A 183 -13.585 -10.996 6.257 1.00 0.00 H +ATOM 693 HB2 LYS A 183 -11.950 -11.916 3.882 1.00 0.00 H +ATOM 694 HB3 LYS A 183 -12.753 -13.046 4.934 1.00 0.00 H +ATOM 695 HG2 LYS A 183 -14.920 -11.939 4.483 1.00 0.00 H +ATOM 696 HG3 LYS A 183 -14.103 -10.803 3.410 1.00 0.00 H +ATOM 697 HD2 LYS A 183 -13.348 -12.690 1.990 1.00 0.00 H +ATOM 698 HD3 LYS A 183 -14.165 -13.823 3.061 1.00 0.00 H +ATOM 699 HE2 LYS A 183 -16.328 -12.704 2.578 1.00 0.00 H +ATOM 700 HE3 LYS A 183 -15.516 -11.588 1.509 1.00 0.00 H +ATOM 701 HZ1 LYS A 183 -16.507 -13.396 0.294 1.00 0.00 H +ATOM 702 HZ2 LYS A 183 -14.867 -13.461 0.126 1.00 0.00 H +ATOM 703 HZ3 LYS A 183 -15.635 -14.515 1.136 1.00 0.00 H +ATOM 704 N GLU A 184 -10.315 -11.408 6.408 1.00 16.86 N +ATOM 705 CA GLU A 184 -9.230 -11.953 7.221 1.00 18.87 C +ATOM 706 C GLU A 184 -9.258 -11.330 8.616 1.00 19.20 C +ATOM 707 O GLU A 184 -9.014 -12.001 9.620 1.00 16.17 O +ATOM 708 CB GLU A 184 -7.880 -11.693 6.539 1.00 20.59 C +ATOM 709 CG GLU A 184 -6.731 -12.577 7.054 1.00 27.54 C +ATOM 710 CD GLU A 184 -6.152 -12.128 8.401 1.00 41.80 C +ATOM 711 OE1 GLU A 184 -5.782 -13.019 9.218 1.00 42.77 O +ATOM 712 OE2 GLU A 184 -6.067 -10.895 8.644 1.00 43.86 O1- +ATOM 713 H GLU A 184 -10.069 -10.898 5.572 1.00 0.00 H +ATOM 714 HA GLU A 184 -9.372 -13.030 7.316 1.00 0.00 H +ATOM 715 HB2 GLU A 184 -7.987 -11.830 5.463 1.00 0.00 H +ATOM 716 HB3 GLU A 184 -7.610 -10.644 6.660 1.00 0.00 H +ATOM 717 HG2 GLU A 184 -7.076 -13.608 7.135 1.00 0.00 H +ATOM 718 HG3 GLU A 184 -5.935 -12.605 6.310 1.00 0.00 H +ATOM 719 N VAL A 185 -9.573 -10.042 8.672 1.00 19.16 N +ATOM 720 CA VAL A 185 -9.584 -9.323 9.945 1.00 19.56 C +ATOM 721 C VAL A 185 -10.762 -9.772 10.797 1.00 17.86 C +ATOM 722 O VAL A 185 -10.611 -10.079 11.969 1.00 17.22 O +ATOM 723 CB VAL A 185 -9.607 -7.793 9.711 1.00 21.83 C +ATOM 724 CG1 VAL A 185 -9.679 -7.039 11.027 1.00 25.12 C +ATOM 725 CG2 VAL A 185 -8.371 -7.367 8.928 1.00 22.52 C +ATOM 726 H VAL A 185 -9.810 -9.543 7.827 1.00 0.00 H +ATOM 727 HA VAL A 185 -8.667 -9.569 10.480 1.00 0.00 H +ATOM 728 HB VAL A 185 -10.491 -7.547 9.123 1.00 0.00 H +ATOM 729 HG11 VAL A 185 -9.694 -5.967 10.832 1.00 0.00 H +ATOM 730 HG12 VAL A 185 -10.586 -7.323 11.560 1.00 0.00 H +ATOM 731 HG13 VAL A 185 -8.809 -7.285 11.635 1.00 0.00 H +ATOM 732 HG21 VAL A 185 -8.395 -6.289 8.768 1.00 0.00 H +ATOM 733 HG22 VAL A 185 -7.475 -7.630 9.491 1.00 0.00 H +ATOM 734 HG23 VAL A 185 -8.357 -7.877 7.965 1.00 0.00 H +ATOM 735 N ILE A 186 -11.937 -9.844 10.191 1.00 17.91 N +ATOM 736 CA ILE A 186 -13.158 -10.285 10.861 0.50 18.04 C +ATOM 737 C ILE A 186 -12.999 -11.696 11.453 1.00 19.39 C +ATOM 738 O ILE A 186 -13.472 -11.999 12.554 1.00 17.14 O +ATOM 739 CB ILE A 186 -14.354 -10.270 9.858 0.50 17.66 C +ATOM 740 CG1 ILE A 186 -14.712 -8.833 9.428 0.50 20.59 C +ATOM 741 CG2 ILE A 186 -15.567 -10.933 10.438 0.50 14.98 C +ATOM 742 CD1 ILE A 186 -15.220 -7.920 10.546 0.50 21.52 C +ATOM 743 H ILE A 186 -12.020 -9.587 9.218 1.00 0.00 H +ATOM 744 HA ILE A 186 -13.378 -9.591 11.673 0.50 0.00 H +ATOM 745 HB ILE A 186 -14.057 -10.826 8.969 0.50 0.00 H +ATOM 746 HG12 ILE A 186 -13.846 -8.373 8.953 0.50 0.00 H +ATOM 747 HG13 ILE A 186 -15.452 -8.870 8.629 0.50 0.00 H +ATOM 748 HG21 ILE A 186 -16.380 -10.904 9.712 0.50 0.00 H +ATOM 749 HG22 ILE A 186 -15.334 -11.970 10.681 0.50 0.00 H +ATOM 750 HG23 ILE A 186 -15.871 -10.408 11.344 0.50 0.00 H +ATOM 751 HD11 ILE A 186 -15.443 -6.934 10.138 0.50 0.00 H +ATOM 752 HD12 ILE A 186 -16.125 -8.346 10.981 0.50 0.00 H +ATOM 753 HD13 ILE A 186 -14.455 -7.829 11.317 0.50 0.00 H +ATOM 754 N VAL A 187 -12.348 -12.577 10.688 1.00 18.72 N +ATOM 755 CA VAL A 187 -12.134 -13.957 11.126 1.00 19.45 C +ATOM 756 C VAL A 187 -11.153 -13.966 12.306 1.00 18.82 C +ATOM 757 O VAL A 187 -11.416 -14.598 13.323 1.00 19.37 O +ATOM 758 CB VAL A 187 -11.644 -14.862 9.973 1.00 19.41 C +ATOM 759 CG1 VAL A 187 -11.149 -16.202 10.510 1.00 21.71 C +ATOM 760 CG2 VAL A 187 -12.784 -15.100 9.015 1.00 19.60 C +ATOM 761 H VAL A 187 -11.991 -12.296 9.786 1.00 0.00 H +ATOM 762 HA VAL A 187 -13.088 -14.349 11.479 1.00 0.00 H +ATOM 763 HB VAL A 187 -10.830 -14.364 9.446 1.00 0.00 H +ATOM 764 HG11 VAL A 187 -10.809 -16.823 9.681 1.00 0.00 H +ATOM 765 HG12 VAL A 187 -10.323 -16.034 11.201 1.00 0.00 H +ATOM 766 HG13 VAL A 187 -11.961 -16.707 11.032 1.00 0.00 H +ATOM 767 HG21 VAL A 187 -12.446 -15.738 8.198 1.00 0.00 H +ATOM 768 HG22 VAL A 187 -13.605 -15.588 9.540 1.00 0.00 H +ATOM 769 HG23 VAL A 187 -13.126 -14.147 8.613 1.00 0.00 H +ATOM 770 N ALA A 188 -10.039 -13.247 12.151 1.00 20.77 N +ATOM 771 CA ALA A 188 -8.972 -13.181 13.170 1.00 23.99 C +ATOM 772 C ALA A 188 -9.470 -12.635 14.507 1.00 26.52 C +ATOM 773 O ALA A 188 -9.032 -13.083 15.562 1.00 25.91 O +ATOM 774 CB ALA A 188 -7.810 -12.337 12.685 1.00 22.53 C +ATOM 775 H ALA A 188 -9.896 -12.714 11.305 1.00 0.00 H +ATOM 776 HA ALA A 188 -8.605 -14.194 13.337 1.00 0.00 H +ATOM 777 HB1 ALA A 188 -7.038 -12.305 13.454 1.00 0.00 H +ATOM 778 HB2 ALA A 188 -7.398 -12.774 11.775 1.00 0.00 H +ATOM 779 HB3 ALA A 188 -8.157 -11.325 12.477 1.00 0.00 H +ATOM 780 N LYS A 189 -10.392 -11.676 14.443 1.00 25.92 N +ATOM 781 CA LYS A 189 -10.904 -10.984 15.628 1.00 27.00 C +ATOM 782 C LYS A 189 -12.218 -11.551 16.139 1.00 27.99 C +ATOM 783 O LYS A 189 -12.839 -10.949 17.008 1.00 29.06 O +ATOM 784 CB LYS A 189 -11.111 -9.505 15.311 1.00 28.61 C +ATOM 785 CG LYS A 189 -9.860 -8.749 14.895 1.00 33.75 C +ATOM 786 CD LYS A 189 -8.928 -8.510 16.065 1.00 43.55 C +ATOM 787 CE LYS A 189 -7.602 -7.911 15.601 1.00 50.66 C +ATOM 788 NZ LYS A 189 -6.568 -7.937 16.685 1.00 56.04 N1+ +ATOM 789 H LYS A 189 -10.769 -11.397 13.549 1.00 0.00 H +ATOM 790 HA LYS A 189 -10.162 -11.065 16.422 1.00 0.00 H +ATOM 791 HB2 LYS A 189 -11.867 -9.406 14.533 1.00 0.00 H +ATOM 792 HB3 LYS A 189 -11.561 -9.011 16.173 1.00 0.00 H +ATOM 793 HG2 LYS A 189 -9.336 -9.312 14.123 1.00 0.00 H +ATOM 794 HG3 LYS A 189 -10.144 -7.792 14.456 1.00 0.00 H +ATOM 795 HD2 LYS A 189 -9.403 -7.833 16.775 1.00 0.00 H +ATOM 796 HD3 LYS A 189 -8.740 -9.453 16.578 1.00 0.00 H +ATOM 797 HE2 LYS A 189 -7.236 -8.466 14.737 1.00 0.00 H +ATOM 798 HE3 LYS A 189 -7.762 -6.883 15.277 1.00 0.00 H +ATOM 799 HZ1 LYS A 189 -5.708 -7.534 16.341 1.00 0.00 H +ATOM 800 HZ2 LYS A 189 -6.896 -7.403 17.477 1.00 0.00 H +ATOM 801 HZ3 LYS A 189 -6.401 -8.892 16.969 1.00 0.00 H +ATOM 802 N ASP A 190 -12.654 -12.692 15.611 1.00 26.45 N +ATOM 803 CA ASP A 190 -13.890 -13.330 16.085 1.00 28.65 C +ATOM 804 C ASP A 190 -15.097 -12.392 15.975 1.00 28.58 C +ATOM 805 O ASP A 190 -15.951 -12.341 16.863 1.00 28.44 O +ATOM 806 CB ASP A 190 -13.711 -13.785 17.534 1.00 31.18 C +ATOM 807 CG ASP A 190 -14.589 -14.959 17.887 1.00 37.98 C +ATOM 808 OD1 ASP A 190 -14.600 -15.936 17.105 1.00 50.40 O +ATOM 809 OD2 ASP A 190 -15.252 -14.918 18.952 1.00 53.88 O1- +ATOM 810 H ASP A 190 -12.133 -13.137 14.869 1.00 0.00 H +ATOM 811 HA ASP A 190 -14.081 -14.209 15.470 1.00 0.00 H +ATOM 812 HB2 ASP A 190 -12.667 -14.049 17.704 1.00 0.00 H +ATOM 813 HB3 ASP A 190 -13.930 -12.954 18.204 1.00 0.00 H +ATOM 814 N GLU A 191 -15.149 -11.662 14.861 1.00 26.14 N +ATOM 815 CA GLU A 191 -16.185 -10.661 14.597 1.00 23.76 C +ATOM 816 C GLU A 191 -17.153 -11.164 13.527 1.00 22.11 C +ATOM 817 O GLU A 191 -18.018 -10.421 13.057 1.00 19.29 O +ATOM 818 CB GLU A 191 -15.493 -9.356 14.199 1.00 24.40 C +ATOM 819 CG GLU A 191 -16.366 -8.148 13.856 1.00 30.50 C +ATOM 820 CD GLU A 191 -17.142 -7.556 15.030 1.00 34.75 C +ATOM 821 OE1 GLU A 191 -16.971 -8.007 16.183 1.00 25.02 O +ATOM 822 OE2 GLU A 191 -17.927 -6.615 14.777 1.00 37.41 O1- +ATOM 823 H GLU A 191 -14.449 -11.785 14.143 1.00 0.00 H +ATOM 824 HA GLU A 191 -16.744 -10.490 15.517 1.00 0.00 H +ATOM 825 HB2 GLU A 191 -14.786 -9.075 14.979 1.00 0.00 H +ATOM 826 HB3 GLU A 191 -14.813 -9.551 13.370 1.00 0.00 H +ATOM 827 HG2 GLU A 191 -15.747 -7.372 13.405 1.00 0.00 H +ATOM 828 HG3 GLU A 191 -17.063 -8.420 13.064 1.00 0.00 H +ATOM 829 N VAL A 192 -17.045 -12.443 13.165 1.00 22.34 N +ATOM 830 CA VAL A 192 -17.876 -13.021 12.095 1.00 21.12 C +ATOM 831 C VAL A 192 -19.362 -13.042 12.445 1.00 20.29 C +ATOM 832 O VAL A 192 -20.197 -12.590 11.660 1.00 18.61 O +ATOM 833 CB VAL A 192 -17.421 -14.458 11.715 1.00 21.64 C +ATOM 834 CG1 VAL A 192 -18.347 -15.068 10.675 1.00 25.09 C +ATOM 835 CG2 VAL A 192 -16.005 -14.428 11.173 1.00 22.62 C +ATOM 836 H VAL A 192 -16.379 -13.045 13.628 1.00 0.00 H +ATOM 837 HA VAL A 192 -17.756 -12.394 11.211 1.00 0.00 H +ATOM 838 HB VAL A 192 -17.441 -15.080 12.610 1.00 0.00 H +ATOM 839 HG11 VAL A 192 -18.005 -16.073 10.428 1.00 0.00 H +ATOM 840 HG12 VAL A 192 -19.360 -15.117 11.074 1.00 0.00 H +ATOM 841 HG13 VAL A 192 -18.341 -14.452 9.776 1.00 0.00 H +ATOM 842 HG21 VAL A 192 -15.695 -15.439 10.909 1.00 0.00 H +ATOM 843 HG22 VAL A 192 -15.968 -13.795 10.287 1.00 0.00 H +ATOM 844 HG23 VAL A 192 -15.333 -14.029 11.933 1.00 0.00 H +ATOM 845 N ALA A 193 -19.681 -13.559 13.626 1.00 18.99 N +ATOM 846 CA ALA A 193 -21.061 -13.679 14.066 1.00 17.70 C +ATOM 847 C ALA A 193 -21.729 -12.294 14.105 1.00 15.87 C +ATOM 848 O ALA A 193 -22.872 -12.151 13.691 1.00 15.44 O +ATOM 849 CB ALA A 193 -21.131 -14.347 15.457 1.00 19.23 C +ATOM 850 H ALA A 193 -18.954 -13.883 14.248 1.00 0.00 H +ATOM 851 HA ALA A 193 -21.599 -14.304 13.353 1.00 0.00 H +ATOM 852 HB1 ALA A 193 -22.172 -14.428 15.770 1.00 0.00 H +ATOM 853 HB2 ALA A 193 -20.689 -15.342 15.405 1.00 0.00 H +ATOM 854 HB3 ALA A 193 -20.581 -13.743 16.179 1.00 0.00 H +ATOM 855 N HID A 194 -21.006 -11.293 14.586 1.00 15.56 N +ATOM 856 CA HID A 194 -21.547 -9.929 14.646 1.00 16.83 C +ATOM 857 C HID A 194 -21.848 -9.412 13.243 1.00 16.78 C +ATOM 858 O HID A 194 -22.897 -8.820 12.997 1.00 13.40 O +ATOM 859 CB HID A 194 -20.567 -8.978 15.341 1.00 14.14 C +ATOM 860 CG HID A 194 -20.418 -9.224 16.810 1.00 14.07 C +ATOM 861 CD2 HID A 194 -21.197 -9.908 17.679 1.00 18.57 C +ATOM 862 ND1 HID A 194 -19.356 -8.736 17.539 1.00 24.53 N +ATOM 863 CE1 HID A 194 -19.499 -9.101 18.801 1.00 24.36 C +ATOM 864 NE2 HID A 194 -20.607 -9.810 18.915 1.00 22.01 N +ATOM 865 H HID A 194 -20.067 -11.462 14.919 1.00 0.00 H +ATOM 866 HA HID A 194 -22.476 -9.948 15.216 1.00 0.00 H +ATOM 867 HB2 HID A 194 -19.591 -9.051 14.861 1.00 0.00 H +ATOM 868 HB3 HID A 194 -20.885 -7.948 15.177 1.00 0.00 H +ATOM 869 HD1 HID A 194 -18.636 -8.196 17.082 1.00 0.00 H +ATOM 870 HD2 HID A 194 -22.095 -10.397 17.330 1.00 0.00 H +ATOM 871 HE1 HID A 194 -18.763 -8.807 19.535 1.00 0.00 H +ATOM 872 N THR A 195 -20.916 -9.638 12.330 1.00 14.91 N +ATOM 873 CA THR A 195 -21.009 -9.147 10.962 1.00 16.46 C +ATOM 874 C THR A 195 -22.224 -9.769 10.275 1.00 14.46 C +ATOM 875 O THR A 195 -23.020 -9.081 9.629 1.00 15.59 O +ATOM 876 CB THR A 195 -19.701 -9.439 10.176 1.00 15.36 C +ATOM 877 CG2 THR A 195 -19.832 -8.994 8.725 1.00 17.00 C +ATOM 878 OG1 THR A 195 -18.605 -8.743 10.789 1.00 18.77 O +ATOM 879 H THR A 195 -20.094 -10.173 12.570 1.00 0.00 H +ATOM 880 HA THR A 195 -21.152 -8.067 10.996 1.00 0.00 H +ATOM 881 HB THR A 195 -19.502 -10.510 10.203 1.00 0.00 H +ATOM 882 HG1 THR A 195 -17.798 -8.924 10.302 1.00 0.00 H +ATOM 883 HG21 THR A 195 -18.905 -9.208 8.194 1.00 0.00 H +ATOM 884 HG22 THR A 195 -20.654 -9.532 8.252 1.00 0.00 H +ATOM 885 HG23 THR A 195 -20.032 -7.923 8.689 1.00 0.00 H +ATOM 886 N LEU A 196 -22.406 -11.072 10.465 1.00 14.92 N +ATOM 887 CA LEU A 196 -23.535 -11.793 9.898 1.00 13.82 C +ATOM 888 C LEU A 196 -24.866 -11.364 10.492 1.00 14.32 C +ATOM 889 O LEU A 196 -25.846 -11.233 9.761 1.00 16.33 O +ATOM 890 CB LEU A 196 -23.324 -13.308 10.024 1.00 16.74 C +ATOM 891 CG LEU A 196 -22.066 -13.842 9.328 1.00 19.62 C +ATOM 892 CD1 LEU A 196 -21.994 -15.348 9.381 1.00 22.05 C +ATOM 893 CD2 LEU A 196 -21.948 -13.372 7.883 1.00 24.27 C +ATOM 894 H LEU A 196 -21.747 -11.598 11.021 1.00 0.00 H +ATOM 895 HA LEU A 196 -23.566 -11.559 8.834 1.00 0.00 H +ATOM 896 HB2 LEU A 196 -23.297 -13.582 11.079 1.00 0.00 H +ATOM 897 HB3 LEU A 196 -24.200 -13.828 9.635 1.00 0.00 H +ATOM 898 HG LEU A 196 -21.203 -13.454 9.869 1.00 0.00 H +ATOM 899 HD11 LEU A 196 -21.089 -15.687 8.877 1.00 0.00 H +ATOM 900 HD12 LEU A 196 -21.975 -15.675 10.421 1.00 0.00 H +ATOM 901 HD13 LEU A 196 -22.866 -15.772 8.883 1.00 0.00 H +ATOM 902 HD21 LEU A 196 -21.039 -13.780 7.441 1.00 0.00 H +ATOM 903 HD22 LEU A 196 -22.814 -13.716 7.317 1.00 0.00 H +ATOM 904 HD23 LEU A 196 -21.907 -12.283 7.857 1.00 0.00 H +ATOM 905 N THR A 197 -24.873 -11.088 11.795 1.00 14.50 N +ATOM 906 CA THR A 197 -26.060 -10.540 12.452 1.00 15.24 C +ATOM 907 C THR A 197 -26.461 -9.180 11.874 1.00 10.88 C +ATOM 908 O THR A 197 -27.627 -8.965 11.569 1.00 12.14 O +ATOM 909 CB THR A 197 -25.848 -10.427 13.964 1.00 13.69 C +ATOM 910 CG2 THR A 197 -27.045 -9.763 14.653 1.00 17.98 C +ATOM 911 OG1 THR A 197 -25.619 -11.737 14.503 1.00 18.81 O +ATOM 912 H THR A 197 -24.047 -11.257 12.351 1.00 0.00 H +ATOM 913 HA THR A 197 -26.885 -11.232 12.281 1.00 0.00 H +ATOM 914 HB THR A 197 -24.962 -9.818 14.145 1.00 0.00 H +ATOM 915 HG1 THR A 197 -25.485 -11.674 15.452 1.00 0.00 H +ATOM 916 HG21 THR A 197 -26.859 -9.700 15.725 1.00 0.00 H +ATOM 917 HG22 THR A 197 -27.187 -8.760 14.250 1.00 0.00 H +ATOM 918 HG23 THR A 197 -27.942 -10.356 14.475 1.00 0.00 H +ATOM 919 N GLU A 198 -25.502 -8.282 11.694 1.00 13.07 N +ATOM 920 CA GLU A 198 -25.822 -6.976 11.108 1.00 12.73 C +ATOM 921 C GLU A 198 -26.459 -7.154 9.723 1.00 12.03 C +ATOM 922 O GLU A 198 -27.465 -6.514 9.387 1.00 11.03 O +ATOM 923 CB GLU A 198 -24.597 -6.069 11.011 1.00 14.57 C +ATOM 924 CG GLU A 198 -24.864 -4.860 10.096 1.00 18.69 C +ATOM 925 CD GLU A 198 -23.951 -3.702 10.292 1.00 21.74 C +ATOM 926 OE1 GLU A 198 -22.758 -3.832 9.960 1.00 29.52 O +ATOM 927 OE2 GLU A 198 -24.436 -2.638 10.722 1.00 20.66 O1- +ATOM 928 H GLU A 198 -24.552 -8.498 11.960 1.00 0.00 H +ATOM 929 HA GLU A 198 -26.552 -6.487 11.754 1.00 0.00 H +ATOM 930 HB2 GLU A 198 -24.326 -5.718 12.007 1.00 0.00 H +ATOM 931 HB3 GLU A 198 -23.753 -6.639 10.622 1.00 0.00 H +ATOM 932 HG2 GLU A 198 -24.822 -5.180 9.055 1.00 0.00 H +ATOM 933 HG3 GLU A 198 -25.895 -4.532 10.225 1.00 0.00 H +ATOM 934 N ASN A 199 -25.890 -8.027 8.921 1.00 11.98 N +ATOM 935 CA ASN A 199 -26.387 -8.280 7.577 1.00 13.03 C +ATOM 936 C ASN A 199 -27.842 -8.726 7.610 1.00 13.03 C +ATOM 937 O ASN A 199 -28.684 -8.151 6.901 1.00 11.67 O +ATOM 938 CB ASN A 199 -25.501 -9.310 6.877 1.00 14.44 C +ATOM 939 CG ASN A 199 -25.818 -9.463 5.397 1.00 14.21 C +ATOM 940 ND2 ASN A 199 -25.802 -10.707 4.921 1.00 19.55 N +ATOM 941 OD1 ASN A 199 -26.027 -8.486 4.682 1.00 17.52 O +ATOM 942 H ASN A 199 -25.082 -8.547 9.232 1.00 0.00 H +ATOM 943 HA ASN A 199 -26.331 -7.348 7.015 1.00 0.00 H +ATOM 944 HB2 ASN A 199 -24.455 -9.028 6.996 1.00 0.00 H +ATOM 945 HB3 ASN A 199 -25.608 -10.275 7.372 1.00 0.00 H +ATOM 946 HD21 ASN A 199 -25.588 -11.480 5.535 1.00 0.00 H +ATOM 947 HD22 ASN A 199 -26.004 -10.877 3.946 1.00 0.00 H +ATOM 948 N ARG A 200 -28.164 -9.710 8.463 1.00 13.25 N +ATOM 949 CA ARG A 200 -29.543 -10.203 8.581 1.00 13.80 C +ATOM 950 C ARG A 200 -30.513 -9.134 9.090 1.00 13.11 C +ATOM 951 O ARG A 200 -31.581 -8.931 8.525 1.00 13.34 O +ATOM 952 CB ARG A 200 -29.584 -11.423 9.520 1.00 16.56 C +ATOM 953 CG ARG A 200 -28.932 -12.665 8.948 1.00 17.08 C +ATOM 954 CD ARG A 200 -29.319 -13.891 9.753 1.00 20.77 C +ATOM 955 NE ARG A 200 -28.895 -13.747 11.137 1.00 17.95 N +ATOM 956 CZ ARG A 200 -27.699 -14.085 11.614 1.00 20.78 C +ATOM 957 NH1 ARG A 200 -26.774 -14.593 10.819 1.00 29.34 N1+ +ATOM 958 NH2 ARG A 200 -27.413 -13.881 12.900 1.00 24.27 N1+ +ATOM 959 H ARG A 200 -27.451 -10.129 9.043 1.00 0.00 H +ATOM 960 HA ARG A 200 -29.876 -10.522 7.593 1.00 0.00 H +ATOM 961 HB2 ARG A 200 -29.106 -11.167 10.466 1.00 0.00 H +ATOM 962 HB3 ARG A 200 -30.619 -11.645 9.779 1.00 0.00 H +ATOM 963 HG2 ARG A 200 -29.247 -12.796 7.913 1.00 0.00 H +ATOM 964 HG3 ARG A 200 -27.849 -12.547 8.965 1.00 0.00 H +ATOM 965 HD2 ARG A 200 -30.400 -14.023 9.716 1.00 0.00 H +ATOM 966 HD3 ARG A 200 -28.849 -14.773 9.319 1.00 0.00 H +ATOM 967 HE ARG A 200 -29.592 -13.356 11.754 1.00 0.00 H +ATOM 968 HH11 ARG A 200 -26.971 -14.729 9.838 1.00 0.00 H +ATOM 969 HH12 ARG A 200 -25.870 -14.846 11.193 1.00 0.00 H +ATOM 970 HH21 ARG A 200 -28.104 -13.470 13.512 1.00 0.00 H +ATOM 971 HH22 ARG A 200 -26.506 -14.137 13.262 1.00 0.00 H +ATOM 972 N VAL A 201 -30.098 -8.407 10.121 1.00 12.63 N +ATOM 973 CA VAL A 201 -30.951 -7.421 10.766 1.00 11.04 C +ATOM 974 C VAL A 201 -31.270 -6.307 9.770 1.00 12.76 C +ATOM 975 O VAL A 201 -32.424 -5.892 9.679 1.00 12.13 O +ATOM 976 CB VAL A 201 -30.353 -6.905 12.100 1.00 11.07 C +ATOM 977 CG1 VAL A 201 -31.084 -5.681 12.595 1.00 12.60 C +ATOM 978 CG2 VAL A 201 -30.406 -8.028 13.166 1.00 14.25 C +ATOM 979 H VAL A 201 -29.163 -8.530 10.482 1.00 0.00 H +ATOM 980 HA VAL A 201 -31.892 -7.917 11.006 1.00 0.00 H +ATOM 981 HB VAL A 201 -29.310 -6.639 11.931 1.00 0.00 H +ATOM 982 HG11 VAL A 201 -30.639 -5.346 13.532 1.00 0.00 H +ATOM 983 HG12 VAL A 201 -31.008 -4.887 11.852 1.00 0.00 H +ATOM 984 HG13 VAL A 201 -32.134 -5.925 12.759 1.00 0.00 H +ATOM 985 HG21 VAL A 201 -29.985 -7.661 14.102 1.00 0.00 H +ATOM 986 HG22 VAL A 201 -31.441 -8.328 13.327 1.00 0.00 H +ATOM 987 HG23 VAL A 201 -29.829 -8.886 12.820 1.00 0.00 H +ATOM 988 N LEU A 202 -30.259 -5.826 9.045 1.00 12.41 N +ATOM 989 CA LEU A 202 -30.468 -4.810 8.004 1.00 13.04 C +ATOM 990 C LEU A 202 -31.427 -5.316 6.932 1.00 14.60 C +ATOM 991 O LEU A 202 -32.359 -4.628 6.538 1.00 13.86 O +ATOM 992 CB LEU A 202 -29.125 -4.398 7.377 1.00 11.42 C +ATOM 993 CG LEU A 202 -28.264 -3.444 8.204 1.00 12.61 C +ATOM 994 CD1 LEU A 202 -26.852 -3.310 7.656 1.00 17.55 C +ATOM 995 CD2 LEU A 202 -28.970 -2.081 8.330 1.00 16.52 C +ATOM 996 H LEU A 202 -29.319 -6.160 9.205 1.00 0.00 H +ATOM 997 HA LEU A 202 -30.911 -3.930 8.470 1.00 0.00 H +ATOM 998 HB2 LEU A 202 -28.548 -5.293 7.144 1.00 0.00 H +ATOM 999 HB3 LEU A 202 -29.306 -3.960 6.395 1.00 0.00 H +ATOM 1000 HG LEU A 202 -28.185 -3.863 9.207 1.00 0.00 H +ATOM 1001 HD11 LEU A 202 -26.283 -2.621 8.280 1.00 0.00 H +ATOM 1002 HD12 LEU A 202 -26.367 -4.286 7.658 1.00 0.00 H +ATOM 1003 HD13 LEU A 202 -26.892 -2.927 6.636 1.00 0.00 H +ATOM 1004 HD21 LEU A 202 -28.352 -1.404 8.920 1.00 0.00 H +ATOM 1005 HD22 LEU A 202 -29.125 -1.658 7.337 1.00 0.00 H +ATOM 1006 HD23 LEU A 202 -29.934 -2.214 8.822 1.00 0.00 H +ATOM 1007 N GLN A 203 -31.215 -6.543 6.478 1.00 15.22 N +ATOM 1008 CA GLN A 203 -32.052 -7.107 5.412 1.00 14.48 C +ATOM 1009 C GLN A 203 -33.522 -7.289 5.835 1.00 16.05 C +ATOM 1010 O GLN A 203 -34.429 -7.147 5.023 1.00 16.76 O +ATOM 1011 CB GLN A 203 -31.450 -8.425 4.900 1.00 12.98 C +ATOM 1012 CG GLN A 203 -30.274 -8.216 3.979 1.00 12.25 C +ATOM 1013 CD GLN A 203 -29.724 -9.502 3.412 1.00 13.94 C +ATOM 1014 NE2 GLN A 203 -28.397 -9.572 3.264 1.00 13.11 N +ATOM 1015 OE1 GLN A 203 -30.465 -10.402 3.073 1.00 16.94 O +ATOM 1016 H GLN A 203 -30.469 -7.103 6.866 1.00 0.00 H +ATOM 1017 HA GLN A 203 -32.039 -6.401 4.582 1.00 0.00 H +ATOM 1018 HB2 GLN A 203 -31.141 -9.036 5.748 1.00 0.00 H +ATOM 1019 HB3 GLN A 203 -32.219 -8.997 4.381 1.00 0.00 H +ATOM 1020 HG2 GLN A 203 -30.567 -7.556 3.162 1.00 0.00 H +ATOM 1021 HG3 GLN A 203 -29.484 -7.690 4.515 1.00 0.00 H +ATOM 1022 HE21 GLN A 203 -27.817 -8.788 3.527 1.00 0.00 H +ATOM 1023 HE22 GLN A 203 -27.974 -10.409 2.889 1.00 0.00 H +ATOM 1024 N ASN A 204 -33.743 -7.589 7.112 1.00 11.55 N +ATOM 1025 CA ASN A 204 -35.061 -7.935 7.663 1.00 14.14 C +ATOM 1026 C ASN A 204 -35.854 -6.731 8.207 1.00 14.21 C +ATOM 1027 O ASN A 204 -37.033 -6.868 8.523 1.00 18.78 O +ATOM 1028 CB ASN A 204 -34.901 -9.008 8.761 1.00 15.31 C +ATOM 1029 CG ASN A 204 -36.145 -9.854 8.973 1.00 20.28 C +ATOM 1030 ND2 ASN A 204 -36.712 -10.330 7.890 1.00 17.55 N +ATOM 1031 OD1 ASN A 204 -36.567 -10.114 10.109 1.00 23.03 O +ATOM 1032 H ASN A 204 -32.977 -7.588 7.771 1.00 0.00 H +ATOM 1033 HA ASN A 204 -35.647 -8.376 6.857 1.00 0.00 H +ATOM 1034 HB2 ASN A 204 -34.061 -9.656 8.513 1.00 0.00 H +ATOM 1035 HB3 ASN A 204 -34.627 -8.527 9.700 1.00 0.00 H +ATOM 1036 HD21 ASN A 204 -36.318 -10.126 6.983 1.00 0.00 H +ATOM 1037 HD22 ASN A 204 -37.543 -10.900 7.964 1.00 0.00 H +ATOM 1038 N SER A 205 -35.222 -5.556 8.259 0.50 11.30 N +ATOM 1039 CA SER A 205 -35.806 -4.372 8.911 0.50 13.16 C +ATOM 1040 C SER A 205 -36.143 -3.242 7.946 0.50 13.84 C +ATOM 1041 O SER A 205 -35.428 -3.010 6.966 0.50 13.67 O +ATOM 1042 CB SER A 205 -34.852 -3.833 9.989 0.50 9.67 C +ATOM 1043 OG SER A 205 -33.579 -3.446 9.473 0.50 7.09 O +ATOM 1044 H SER A 205 -34.308 -5.455 7.841 0.50 0.00 H +ATOM 1045 HA SER A 205 -36.729 -4.680 9.403 0.50 0.00 H +ATOM 1046 HB2 SER A 205 -35.314 -2.981 10.488 0.50 0.00 H +ATOM 1047 HB3 SER A 205 -34.715 -4.589 10.762 0.50 0.00 H +ATOM 1048 HG SER A 205 -33.029 -3.119 10.189 0.50 0.00 H +ATOM 1049 N ARG A 206 -37.226 -2.539 8.246 1.00 16.49 N +ATOM 1050 CA ARG A 206 -37.666 -1.400 7.457 1.00 16.96 C +ATOM 1051 C ARG A 206 -38.350 -0.457 8.429 1.00 15.92 C +ATOM 1052 O ARG A 206 -39.433 -0.746 8.922 1.00 17.18 O +ATOM 1053 CB ARG A 206 -38.621 -1.851 6.338 1.00 18.23 C +ATOM 1054 CG ARG A 206 -38.612 -0.980 5.080 1.00 29.22 C +ATOM 1055 CD ARG A 206 -39.754 0.012 5.013 0.50 33.89 C +ATOM 1056 NE ARG A 206 -39.368 1.328 5.520 0.50 35.50 N +ATOM 1057 CZ ARG A 206 -40.086 2.076 6.355 0.50 34.32 C +ATOM 1058 NH1 ARG A 206 -41.274 1.671 6.801 0.50 32.47 N1+ +ATOM 1059 NH2 ARG A 206 -39.614 3.255 6.733 0.50 31.53 N1+ +ATOM 1060 H ARG A 206 -37.783 -2.788 9.051 1.00 0.00 H +ATOM 1061 HA ARG A 206 -36.800 -0.905 7.018 1.00 0.00 H +ATOM 1062 HB2 ARG A 206 -38.394 -2.881 6.064 1.00 0.00 H +ATOM 1063 HB3 ARG A 206 -39.636 -1.906 6.731 1.00 0.00 H +ATOM 1064 HG2 ARG A 206 -37.664 -0.445 5.017 1.00 0.00 H +ATOM 1065 HG3 ARG A 206 -38.636 -1.619 4.198 1.00 0.00 H +ATOM 1066 HD2 ARG A 206 -40.092 0.106 3.981 1.00 0.00 H +ATOM 1067 HD3 ARG A 206 -40.597 -0.366 5.591 1.00 0.00 H +ATOM 1068 HE ARG A 206 -38.475 1.661 5.184 1.00 0.00 H +ATOM 1069 HH11 ARG A 206 -41.647 0.780 6.506 1.00 0.00 H +ATOM 1070 HH12 ARG A 206 -41.802 2.255 7.434 1.00 0.00 H +ATOM 1071 HH21 ARG A 206 -38.720 3.575 6.388 1.00 0.00 H +ATOM 1072 HH22 ARG A 206 -40.148 3.833 7.366 1.00 0.00 H +ATOM 1073 N HID A 207 -37.685 0.645 8.763 1.00 12.63 N +ATOM 1074 CA HID A 207 -38.237 1.622 9.699 1.00 10.75 C +ATOM 1075 C HID A 207 -37.654 3.002 9.397 1.00 9.20 C +ATOM 1076 O HID A 207 -36.472 3.090 9.048 1.00 10.34 O +ATOM 1077 CB HID A 207 -37.884 1.202 11.138 1.00 11.00 C +ATOM 1078 CG HID A 207 -38.575 1.988 12.199 1.00 11.00 C +ATOM 1079 CD2 HID A 207 -39.729 1.759 12.870 1.00 14.44 C +ATOM 1080 ND1 HID A 207 -38.110 3.205 12.639 1.00 8.08 N +ATOM 1081 CE1 HID A 207 -38.928 3.669 13.572 1.00 11.39 C +ATOM 1082 NE2 HID A 207 -39.937 2.824 13.704 1.00 12.43 N +ATOM 1083 H HID A 207 -36.773 0.824 8.367 1.00 0.00 H +ATOM 1084 HA HID A 207 -39.321 1.656 9.588 1.00 0.00 H +ATOM 1085 HB2 HID A 207 -38.107 0.143 11.270 1.00 0.00 H +ATOM 1086 HB3 HID A 207 -36.806 1.273 11.281 1.00 0.00 H +ATOM 1087 HD1 HID A 207 -37.266 3.595 12.246 1.00 0.00 H +ATOM 1088 HD2 HID A 207 -40.291 0.855 12.686 1.00 0.00 H +ATOM 1089 HE1 HID A 207 -38.702 4.598 14.074 1.00 0.00 H +ATOM 1090 N PRO A 208 -38.429 4.077 9.581 1.00 10.24 N +ATOM 1091 CA PRO A 208 -37.987 5.456 9.327 1.00 11.94 C +ATOM 1092 C PRO A 208 -36.649 5.849 9.969 1.00 11.06 C +ATOM 1093 O PRO A 208 -35.872 6.644 9.389 1.00 13.09 O +ATOM 1094 CB PRO A 208 -39.146 6.312 9.863 1.00 14.51 C +ATOM 1095 CG PRO A 208 -40.310 5.433 9.869 1.00 19.32 C +ATOM 1096 CD PRO A 208 -39.827 4.041 10.054 1.00 11.96 C +ATOM 1097 HA PRO A 208 -37.913 5.605 8.250 1.00 0.00 H +ATOM 1098 HB2 PRO A 208 -38.923 6.624 10.883 1.00 0.00 H +ATOM 1099 HB3 PRO A 208 -39.325 7.145 9.183 1.00 0.00 H +ATOM 1100 HG2 PRO A 208 -40.964 5.703 10.698 1.00 0.00 H +ATOM 1101 HG3 PRO A 208 -40.830 5.513 8.914 1.00 0.00 H +ATOM 1102 HD2 PRO A 208 -39.843 3.792 11.115 1.00 0.00 H +ATOM 1103 HD3 PRO A 208 -40.406 3.371 9.418 1.00 0.00 H +ATOM 1104 N PHE A 209 -36.395 5.332 11.170 1.00 10.57 N +ATOM 1105 CA PHE A 209 -35.207 5.732 11.951 1.00 10.22 C +ATOM 1106 C PHE A 209 -34.094 4.672 12.033 1.00 11.58 C +ATOM 1107 O PHE A 209 -33.178 4.804 12.830 1.00 12.44 O +ATOM 1108 CB PHE A 209 -35.658 6.230 13.328 1.00 9.55 C +ATOM 1109 CG PHE A 209 -36.748 7.248 13.241 1.00 13.24 C +ATOM 1110 CD1 PHE A 209 -36.605 8.344 12.415 1.00 11.46 C +ATOM 1111 CD2 PHE A 209 -37.942 7.078 13.913 1.00 9.21 C +ATOM 1112 CE1 PHE A 209 -37.622 9.287 12.272 1.00 13.02 C +ATOM 1113 CE2 PHE A 209 -38.955 8.009 13.786 1.00 12.18 C +ATOM 1114 CZ PHE A 209 -38.798 9.103 12.949 1.00 12.15 C +ATOM 1115 H PHE A 209 -37.022 4.648 11.568 1.00 0.00 H +ATOM 1116 HA PHE A 209 -34.776 6.592 11.438 1.00 0.00 H +ATOM 1117 HB2 PHE A 209 -35.999 5.384 13.925 1.00 0.00 H +ATOM 1118 HB3 PHE A 209 -34.805 6.657 13.856 1.00 0.00 H +ATOM 1119 HD1 PHE A 209 -35.689 8.487 11.861 1.00 0.00 H +ATOM 1120 HD2 PHE A 209 -38.089 6.213 14.543 1.00 0.00 H +ATOM 1121 HE1 PHE A 209 -37.476 10.147 11.635 1.00 0.00 H +ATOM 1122 HE2 PHE A 209 -39.874 7.886 14.340 1.00 0.00 H +ATOM 1123 HZ PHE A 209 -39.605 9.811 12.831 1.00 0.00 H +ATOM 1124 N LEU A 210 -34.200 3.629 11.216 1.00 10.68 N +ATOM 1125 CA LEU A 210 -33.123 2.649 11.027 1.00 10.48 C +ATOM 1126 C LEU A 210 -32.499 2.828 9.655 1.00 12.09 C +ATOM 1127 O LEU A 210 -33.196 2.966 8.658 1.00 11.26 O +ATOM 1128 CB LEU A 210 -33.640 1.221 11.137 1.00 11.18 C +ATOM 1129 CG LEU A 210 -34.286 0.845 12.467 1.00 6.48 C +ATOM 1130 CD1 LEU A 210 -34.780 -0.553 12.364 1.00 10.28 C +ATOM 1131 CD2 LEU A 210 -33.377 1.038 13.674 1.00 12.95 C +ATOM 1132 H LEU A 210 -35.050 3.483 10.691 1.00 0.00 H +ATOM 1133 HA LEU A 210 -32.359 2.810 11.788 1.00 0.00 H +ATOM 1134 HB2 LEU A 210 -34.345 1.031 10.328 1.00 0.00 H +ATOM 1135 HB3 LEU A 210 -32.827 0.527 10.923 1.00 0.00 H +ATOM 1136 HG LEU A 210 -35.154 1.490 12.604 1.00 0.00 H +ATOM 1137 HD11 LEU A 210 -35.247 -0.844 13.305 1.00 0.00 H +ATOM 1138 HD12 LEU A 210 -35.512 -0.622 11.559 1.00 0.00 H +ATOM 1139 HD13 LEU A 210 -33.944 -1.220 12.152 1.00 0.00 H +ATOM 1140 HD21 LEU A 210 -33.909 0.749 14.580 1.00 0.00 H +ATOM 1141 HD22 LEU A 210 -32.487 0.418 13.562 1.00 0.00 H +ATOM 1142 HD23 LEU A 210 -33.083 2.085 13.744 1.00 0.00 H +ATOM 1143 N THR A 211 -31.167 2.826 9.615 1.00 11.46 N +ATOM 1144 CA THR A 211 -30.416 2.840 8.366 1.00 9.79 C +ATOM 1145 C THR A 211 -30.917 1.735 7.417 1.00 9.60 C +ATOM 1146 O THR A 211 -31.005 0.570 7.808 1.00 14.28 O +ATOM 1147 CB THR A 211 -28.889 2.699 8.627 1.00 14.14 C +ATOM 1148 CG2 THR A 211 -28.127 2.661 7.315 1.00 18.41 C +ATOM 1149 OG1 THR A 211 -28.449 3.835 9.366 1.00 16.81 O +ATOM 1150 H THR A 211 -30.636 2.814 10.474 1.00 0.00 H +ATOM 1151 HA THR A 211 -30.587 3.802 7.882 1.00 0.00 H +ATOM 1152 HB THR A 211 -28.693 1.790 9.195 1.00 0.00 H +ATOM 1153 HG1 THR A 211 -27.507 3.762 9.535 1.00 0.00 H +ATOM 1154 HG21 THR A 211 -27.060 2.562 7.516 1.00 0.00 H +ATOM 1155 HG22 THR A 211 -28.465 1.811 6.723 1.00 0.00 H +ATOM 1156 HG23 THR A 211 -28.308 3.583 6.762 1.00 0.00 H +ATOM 1157 N ALA A 212 -31.197 2.114 6.173 1.00 12.19 N +ATOM 1158 CA ALA A 212 -31.585 1.147 5.137 1.00 13.10 C +ATOM 1159 C ALA A 212 -30.404 0.593 4.326 1.00 12.58 C +ATOM 1160 O ALA A 212 -29.457 1.318 3.974 1.00 10.91 O +ATOM 1161 CB ALA A 212 -32.608 1.761 4.212 1.00 15.50 C +ATOM 1162 H ALA A 212 -31.146 3.090 5.919 1.00 0.00 H +ATOM 1163 HA ALA A 212 -32.061 0.304 5.638 1.00 0.00 H +ATOM 1164 HB1 ALA A 212 -32.889 1.036 3.448 1.00 0.00 H +ATOM 1165 HB2 ALA A 212 -33.491 2.046 4.784 1.00 0.00 H +ATOM 1166 HB3 ALA A 212 -32.184 2.645 3.735 1.00 0.00 H +ATOM 1167 N LEU A 213 -30.446 -0.699 4.074 1.00 12.08 N +ATOM 1168 CA LEU A 213 -29.430 -1.377 3.269 1.00 11.52 C +ATOM 1169 C LEU A 213 -29.898 -1.470 1.819 1.00 12.49 C +ATOM 1170 O LEU A 213 -30.991 -1.976 1.553 1.00 13.42 O +ATOM 1171 CB LEU A 213 -29.175 -2.791 3.802 1.00 9.88 C +ATOM 1172 CG LEU A 213 -28.121 -3.615 3.083 1.00 10.91 C +ATOM 1173 CD1 LEU A 213 -26.699 -3.076 3.308 1.00 12.54 C +ATOM 1174 CD2 LEU A 213 -28.254 -5.079 3.549 1.00 14.87 C +ATOM 1175 H LEU A 213 -31.200 -1.261 4.442 1.00 0.00 H +ATOM 1176 HA LEU A 213 -28.502 -0.807 3.310 1.00 0.00 H +ATOM 1177 HB2 LEU A 213 -28.925 -2.735 4.862 1.00 0.00 H +ATOM 1178 HB3 LEU A 213 -30.114 -3.344 3.816 1.00 0.00 H +ATOM 1179 HG LEU A 213 -28.333 -3.579 2.014 1.00 0.00 H +ATOM 1180 HD11 LEU A 213 -25.984 -3.701 2.773 1.00 0.00 H +ATOM 1181 HD12 LEU A 213 -26.635 -2.053 2.938 1.00 0.00 H +ATOM 1182 HD13 LEU A 213 -26.468 -3.092 4.373 1.00 0.00 H +ATOM 1183 HD21 LEU A 213 -27.506 -5.691 3.045 1.00 0.00 H +ATOM 1184 HD22 LEU A 213 -28.101 -5.133 4.627 1.00 0.00 H +ATOM 1185 HD23 LEU A 213 -29.250 -5.449 3.305 1.00 0.00 H +ATOM 1186 N LYS A 214 -29.090 -0.976 0.903 1.00 10.28 N +ATOM 1187 CA LYS A 214 -29.354 -1.064 -0.539 1.00 10.72 C +ATOM 1188 C LYS A 214 -28.756 -2.337 -1.149 1.00 11.10 C +ATOM 1189 O LYS A 214 -29.452 -3.095 -1.830 1.00 13.68 O +ATOM 1190 CB LYS A 214 -28.850 0.200 -1.237 1.00 10.30 C +ATOM 1191 CG LYS A 214 -28.981 0.210 -2.742 1.00 13.64 C +ATOM 1192 CD LYS A 214 -30.424 0.205 -3.192 1.00 19.22 C +ATOM 1193 CE LYS A 214 -30.498 0.377 -4.720 1.00 23.07 C +ATOM 1194 NZ LYS A 214 -31.902 0.475 -5.162 1.00 30.16 N1+ +ATOM 1195 H LYS A 214 -28.239 -0.508 1.180 1.00 0.00 H +ATOM 1196 HA LYS A 214 -30.435 -1.108 -0.675 1.00 0.00 H +ATOM 1197 HB2 LYS A 214 -29.364 1.068 -0.825 1.00 0.00 H +ATOM 1198 HB3 LYS A 214 -27.808 0.370 -0.965 1.00 0.00 H +ATOM 1199 HG2 LYS A 214 -28.479 1.090 -3.144 1.00 0.00 H +ATOM 1200 HG3 LYS A 214 -28.469 -0.659 -3.156 1.00 0.00 H +ATOM 1201 HD2 LYS A 214 -30.889 -0.740 -2.910 1.00 0.00 H +ATOM 1202 HD3 LYS A 214 -30.958 1.023 -2.708 1.00 0.00 H +ATOM 1203 HE2 LYS A 214 -29.962 1.281 -5.010 1.00 0.00 H +ATOM 1204 HE3 LYS A 214 -30.024 -0.476 -5.205 1.00 0.00 H +ATOM 1205 HZ1 LYS A 214 -31.933 0.587 -6.165 1.00 0.00 H +ATOM 1206 HZ2 LYS A 214 -32.397 -0.367 -4.903 1.00 0.00 H +ATOM 1207 HZ3 LYS A 214 -32.339 1.271 -4.721 1.00 0.00 H +ATOM 1208 N TYR A 215 -27.475 -2.581 -0.913 1.00 12.17 N +ATOM 1209 CA TYR A 215 -26.781 -3.778 -1.394 1.00 12.56 C +ATOM 1210 C TYR A 215 -25.884 -4.369 -0.320 1.00 13.13 C +ATOM 1211 O TYR A 215 -25.289 -3.634 0.477 1.00 12.22 O +ATOM 1212 CB TYR A 215 -25.848 -3.457 -2.575 1.00 12.82 C +ATOM 1213 CG TYR A 215 -26.423 -2.700 -3.741 1.00 12.46 C +ATOM 1214 CD1 TYR A 215 -27.408 -3.257 -4.544 1.00 13.36 C +ATOM 1215 CD2 TYR A 215 -25.937 -1.433 -4.078 1.00 13.82 C +ATOM 1216 CE1 TYR A 215 -27.913 -2.561 -5.623 1.00 16.18 C +ATOM 1217 CE2 TYR A 215 -26.442 -0.734 -5.161 1.00 13.95 C +ATOM 1218 CZ TYR A 215 -27.410 -1.307 -5.927 1.00 17.11 C +ATOM 1219 OH TYR A 215 -27.910 -0.624 -7.002 1.00 17.45 O +ATOM 1220 H TYR A 215 -26.926 -1.924 -0.377 1.00 0.00 H +ATOM 1221 HA TYR A 215 -27.515 -4.522 -1.704 1.00 0.00 H +ATOM 1222 HB2 TYR A 215 -24.970 -2.928 -2.203 1.00 0.00 H +ATOM 1223 HB3 TYR A 215 -25.398 -4.382 -2.936 1.00 0.00 H +ATOM 1224 HD1 TYR A 215 -27.787 -4.245 -4.327 1.00 0.00 H +ATOM 1225 HD2 TYR A 215 -25.153 -0.981 -3.489 1.00 0.00 H +ATOM 1226 HE1 TYR A 215 -28.697 -2.994 -6.226 1.00 0.00 H +ATOM 1227 HE2 TYR A 215 -26.068 0.253 -5.389 1.00 0.00 H +ATOM 1228 HH TYR A 215 -27.463 0.222 -7.080 1.00 0.00 H +ATOM 1229 N SER A 216 -25.780 -5.695 -0.305 1.00 10.39 N +ATOM 1230 CA SER A 216 -24.659 -6.329 0.366 1.00 10.71 C +ATOM 1231 C SER A 216 -24.086 -7.365 -0.565 1.00 13.42 C +ATOM 1232 O SER A 216 -24.810 -8.113 -1.190 1.00 12.94 O +ATOM 1233 CB SER A 216 -24.998 -6.899 1.749 1.00 15.60 C +ATOM 1234 OG SER A 216 -25.833 -8.008 1.672 1.00 20.43 O +ATOM 1235 H SER A 216 -26.481 -6.262 -0.761 1.00 0.00 H +ATOM 1236 HA SER A 216 -23.895 -5.565 0.510 1.00 0.00 H +ATOM 1237 HB2 SER A 216 -24.077 -7.174 2.263 1.00 0.00 H +ATOM 1238 HB3 SER A 216 -25.476 -6.127 2.352 1.00 0.00 H +ATOM 1239 HG SER A 216 -26.019 -8.331 2.557 1.00 0.00 H +ATOM 1240 N PHE A 217 -22.770 -7.373 -0.688 1.00 12.57 N +ATOM 1241 CA PHE A 217 -22.095 -8.310 -1.544 1.00 12.18 C +ATOM 1242 C PHE A 217 -20.663 -8.568 -1.061 1.00 13.96 C +ATOM 1243 O PHE A 217 -20.192 -7.939 -0.120 1.00 12.86 O +ATOM 1244 CB PHE A 217 -22.165 -7.803 -3.003 1.00 13.02 C +ATOM 1245 CG PHE A 217 -21.446 -6.482 -3.239 1.00 13.05 C +ATOM 1246 CD1 PHE A 217 -20.074 -6.462 -3.507 1.00 15.60 C +ATOM 1247 CD2 PHE A 217 -22.131 -5.282 -3.235 1.00 18.47 C +ATOM 1248 CE1 PHE A 217 -19.394 -5.270 -3.726 1.00 17.62 C +ATOM 1249 CE2 PHE A 217 -21.451 -4.077 -3.450 1.00 17.80 C +ATOM 1250 CZ PHE A 217 -20.075 -4.077 -3.699 1.00 17.92 C +ATOM 1251 H PHE A 217 -22.211 -6.709 -0.173 1.00 0.00 H +ATOM 1252 HA PHE A 217 -22.637 -9.254 -1.495 1.00 0.00 H +ATOM 1253 HB2 PHE A 217 -21.755 -8.562 -3.669 1.00 0.00 H +ATOM 1254 HB3 PHE A 217 -23.209 -7.705 -3.302 1.00 0.00 H +ATOM 1255 HD1 PHE A 217 -19.518 -7.387 -3.548 1.00 0.00 H +ATOM 1256 HD2 PHE A 217 -23.198 -5.270 -3.065 1.00 0.00 H +ATOM 1257 HE1 PHE A 217 -18.331 -5.282 -3.917 1.00 0.00 H +ATOM 1258 HE2 PHE A 217 -21.989 -3.141 -3.424 1.00 0.00 H +ATOM 1259 HZ PHE A 217 -19.547 -3.150 -3.869 1.00 0.00 H +ATOM 1260 N GLN A 218 -19.981 -9.527 -1.683 1.00 14.78 N +ATOM 1261 CA GLN A 218 -18.623 -9.863 -1.247 1.00 15.97 C +ATOM 1262 C GLN A 218 -17.684 -10.078 -2.424 1.00 18.44 C +ATOM 1263 O GLN A 218 -18.107 -10.345 -3.544 1.00 18.54 O +ATOM 1264 CB GLN A 218 -18.635 -11.088 -0.330 1.00 16.88 C +ATOM 1265 CG GLN A 218 -18.933 -12.369 -1.064 1.00 18.99 C +ATOM 1266 CD GLN A 218 -19.235 -13.515 -0.149 1.00 17.30 C +ATOM 1267 NE2 GLN A 218 -20.372 -14.141 -0.383 1.00 19.84 N +ATOM 1268 OE1 GLN A 218 -18.481 -13.832 0.776 1.00 16.32 O +ATOM 1269 H GLN A 218 -20.399 -10.024 -2.456 1.00 0.00 H +ATOM 1270 HA GLN A 218 -18.243 -9.021 -0.669 1.00 0.00 H +ATOM 1271 HB2 GLN A 218 -17.671 -11.174 0.172 1.00 0.00 H +ATOM 1272 HB3 GLN A 218 -19.373 -10.943 0.459 1.00 0.00 H +ATOM 1273 HG2 GLN A 218 -19.775 -12.212 -1.738 1.00 0.00 H +ATOM 1274 HG3 GLN A 218 -18.086 -12.627 -1.700 1.00 0.00 H +ATOM 1275 HE21 GLN A 218 -20.970 -13.837 -1.138 1.00 0.00 H +ATOM 1276 HE22 GLN A 218 -20.645 -14.925 0.193 1.00 0.00 H +ATOM 1277 N THR A 219 -16.401 -9.915 -2.137 1.00 17.50 N +ATOM 1278 CA THR A 219 -15.331 -10.288 -3.034 1.00 20.61 C +ATOM 1279 C THR A 219 -14.558 -11.382 -2.328 1.00 21.75 C +ATOM 1280 O THR A 219 -14.935 -11.807 -1.232 1.00 18.78 O +ATOM 1281 CB THR A 219 -14.377 -9.113 -3.301 1.00 18.64 C +ATOM 1282 CG2 THR A 219 -15.132 -7.906 -3.796 1.00 24.98 C +ATOM 1283 OG1 THR A 219 -13.674 -8.793 -2.102 1.00 19.95 O +ATOM 1284 H THR A 219 -16.129 -9.511 -1.252 1.00 0.00 H +ATOM 1285 HA THR A 219 -15.740 -10.662 -3.973 1.00 0.00 H +ATOM 1286 HB THR A 219 -13.656 -9.412 -4.062 1.00 0.00 H +ATOM 1287 HG1 THR A 219 -13.077 -8.059 -2.266 1.00 0.00 H +ATOM 1288 HG21 THR A 219 -14.434 -7.089 -3.977 1.00 0.00 H +ATOM 1289 HG22 THR A 219 -15.648 -8.155 -4.723 1.00 0.00 H +ATOM 1290 HG23 THR A 219 -15.861 -7.600 -3.046 1.00 0.00 H +ATOM 1291 N HID A 220 -13.452 -11.819 -2.927 1.00 23.13 N +ATOM 1292 CA HID A 220 -12.662 -12.873 -2.310 1.00 23.02 C +ATOM 1293 C HID A 220 -12.097 -12.419 -0.959 1.00 20.96 C +ATOM 1294 O HID A 220 -11.938 -13.228 -0.076 1.00 23.05 O +ATOM 1295 CB HID A 220 -11.578 -13.413 -3.267 1.00 25.32 C +ATOM 1296 CG HID A 220 -10.407 -12.506 -3.444 1.00 30.58 C +ATOM 1297 CD2 HID A 220 -9.199 -12.475 -2.830 1.00 40.86 C +ATOM 1298 ND1 HID A 220 -10.392 -11.485 -4.369 1.00 42.14 N +ATOM 1299 CE1 HID A 220 -9.233 -10.851 -4.306 1.00 45.61 C +ATOM 1300 NE2 HID A 220 -8.491 -11.432 -3.379 1.00 45.98 N +ATOM 1301 H HID A 220 -13.163 -11.419 -3.808 1.00 0.00 H +ATOM 1302 HA HID A 220 -13.343 -13.699 -2.106 1.00 0.00 H +ATOM 1303 HB2 HID A 220 -11.233 -14.383 -2.911 1.00 0.00 H +ATOM 1304 HB3 HID A 220 -12.025 -13.619 -4.239 1.00 0.00 H +ATOM 1305 HD1 HID A 220 -11.196 -11.327 -4.959 1.00 0.00 H +ATOM 1306 HD2 HID A 220 -8.964 -13.199 -2.063 1.00 0.00 H +ATOM 1307 HE1 HID A 220 -9.041 -10.010 -4.956 1.00 0.00 H +ATOM 1308 N ASP A 221 -11.827 -11.130 -0.789 1.00 19.50 N +ATOM 1309 CA ASP A 221 -11.209 -10.664 0.447 1.00 19.90 C +ATOM 1310 C ASP A 221 -12.060 -9.694 1.284 1.00 17.02 C +ATOM 1311 O ASP A 221 -11.696 -9.390 2.396 1.00 16.09 O +ATOM 1312 CB ASP A 221 -9.833 -10.053 0.148 1.00 23.29 C +ATOM 1313 CG ASP A 221 -9.904 -8.825 -0.718 1.00 27.22 C +ATOM 1314 OD1 ASP A 221 -8.880 -8.113 -0.798 1.00 40.21 O +ATOM 1315 OD2 ASP A 221 -10.961 -8.564 -1.320 1.00 32.97 O1- +ATOM 1316 H ASP A 221 -12.050 -10.467 -1.518 1.00 0.00 H +ATOM 1317 HA ASP A 221 -11.035 -11.545 1.065 1.00 0.00 H +ATOM 1318 HB2 ASP A 221 -9.335 -9.806 1.086 1.00 0.00 H +ATOM 1319 HB3 ASP A 221 -9.202 -10.800 -0.334 1.00 0.00 H +ATOM 1320 N ARG A 222 -13.196 -9.239 0.769 1.00 17.59 N +ATOM 1321 CA ARG A 222 -13.962 -8.186 1.453 1.00 15.71 C +ATOM 1322 C ARG A 222 -15.449 -8.476 1.510 1.00 14.39 C +ATOM 1323 O ARG A 222 -16.001 -9.173 0.657 1.00 14.94 O +ATOM 1324 CB ARG A 222 -13.761 -6.812 0.768 1.00 16.38 C +ATOM 1325 CG ARG A 222 -12.377 -6.235 0.935 1.00 20.15 C +ATOM 1326 CD ARG A 222 -12.097 -5.095 -0.029 1.00 26.51 C +ATOM 1327 NE ARG A 222 -11.913 -5.582 -1.398 1.00 33.29 N +ATOM 1328 CZ ARG A 222 -11.312 -4.904 -2.378 1.00 34.33 C +ATOM 1329 NH1 ARG A 222 -11.214 -5.444 -3.586 1.00 40.33 N1+ +ATOM 1330 NH2 ARG A 222 -10.805 -3.694 -2.162 1.00 33.61 N1+ +ATOM 1331 H ARG A 222 -13.543 -9.616 -0.101 1.00 0.00 H +ATOM 1332 HA ARG A 222 -13.593 -8.111 2.476 1.00 0.00 H +ATOM 1333 HB2 ARG A 222 -13.990 -6.901 -0.294 1.00 0.00 H +ATOM 1334 HB3 ARG A 222 -14.496 -6.105 1.153 1.00 0.00 H +ATOM 1335 HG2 ARG A 222 -12.253 -5.882 1.959 1.00 0.00 H +ATOM 1336 HG3 ARG A 222 -11.637 -7.022 0.790 1.00 0.00 H +ATOM 1337 HD2 ARG A 222 -12.925 -4.387 -0.004 1.00 0.00 H +ATOM 1338 HD3 ARG A 222 -11.201 -4.562 0.290 1.00 0.00 H +ATOM 1339 HE ARG A 222 -12.282 -6.505 -1.575 1.00 0.00 H +ATOM 1340 HH11 ARG A 222 -11.593 -6.364 -3.760 1.00 0.00 H +ATOM 1341 HH12 ARG A 222 -10.760 -4.935 -4.331 1.00 0.00 H +ATOM 1342 HH21 ARG A 222 -10.872 -3.275 -1.246 1.00 0.00 H +ATOM 1343 HH22 ARG A 222 -10.353 -3.194 -2.914 1.00 0.00 H +ATOM 1344 N LEU A 223 -16.093 -7.885 2.512 1.00 14.30 N +ATOM 1345 CA LEU A 223 -17.546 -7.743 2.574 1.00 13.24 C +ATOM 1346 C LEU A 223 -17.913 -6.276 2.415 1.00 12.77 C +ATOM 1347 O LEU A 223 -17.276 -5.423 3.031 1.00 15.07 O +ATOM 1348 CB LEU A 223 -18.050 -8.257 3.921 1.00 10.95 C +ATOM 1349 CG LEU A 223 -17.779 -9.722 4.239 1.00 14.25 C +ATOM 1350 CD1 LEU A 223 -18.177 -10.042 5.695 1.00 16.69 C +ATOM 1351 CD2 LEU A 223 -18.523 -10.605 3.245 1.00 13.48 C +ATOM 1352 H LEU A 223 -15.574 -7.502 3.290 1.00 0.00 H +ATOM 1353 HA LEU A 223 -18.002 -8.321 1.770 1.00 0.00 H +ATOM 1354 HB2 LEU A 223 -17.642 -7.635 4.718 1.00 0.00 H +ATOM 1355 HB3 LEU A 223 -19.120 -8.064 4.001 1.00 0.00 H +ATOM 1356 HG LEU A 223 -16.710 -9.905 4.127 1.00 0.00 H +ATOM 1357 HD11 LEU A 223 -17.976 -11.093 5.904 1.00 0.00 H +ATOM 1358 HD12 LEU A 223 -17.597 -9.419 6.376 1.00 0.00 H +ATOM 1359 HD13 LEU A 223 -19.239 -9.840 5.835 1.00 0.00 H +ATOM 1360 HD21 LEU A 223 -18.329 -11.653 3.473 1.00 0.00 H +ATOM 1361 HD22 LEU A 223 -19.593 -10.411 3.316 1.00 0.00 H +ATOM 1362 HD23 LEU A 223 -18.180 -10.384 2.234 1.00 0.00 H +ATOM 1363 N CYS A 224 -18.949 -6.000 1.631 1.00 11.84 N +ATOM 1364 CA CYS A 224 -19.414 -4.636 1.329 1.00 12.17 C +ATOM 1365 C CYS A 224 -20.878 -4.479 1.661 1.00 14.25 C +ATOM 1366 O CYS A 224 -21.704 -5.239 1.181 1.00 13.59 O +ATOM 1367 CB CYS A 224 -19.181 -4.319 -0.152 1.00 13.22 C +ATOM 1368 SG CYS A 224 -17.431 -4.443 -0.635 1.00 17.96 S +ATOM 1369 H CYS A 224 -19.471 -6.750 1.201 1.00 0.00 H +ATOM 1370 HA CYS A 224 -18.842 -3.931 1.931 1.00 0.00 H +ATOM 1371 HB2 CYS A 224 -19.775 -4.997 -0.765 1.00 0.00 H +ATOM 1372 HB3 CYS A 224 -19.546 -3.315 -0.369 1.00 0.00 H +ATOM 1373 HG CYS A 224 -17.305 -4.154 -1.933 1.00 0.00 H +ATOM 1374 N PHE A 225 -21.192 -3.504 2.500 1.00 10.86 N +ATOM 1375 CA PHE A 225 -22.564 -3.118 2.818 1.00 9.27 C +ATOM 1376 C PHE A 225 -22.760 -1.696 2.287 1.00 11.84 C +ATOM 1377 O PHE A 225 -22.091 -0.744 2.747 1.00 10.39 O +ATOM 1378 CB PHE A 225 -22.820 -3.065 4.336 1.00 9.88 C +ATOM 1379 CG PHE A 225 -22.541 -4.354 5.099 1.00 11.92 C +ATOM 1380 CD1 PHE A 225 -23.593 -5.122 5.565 1.00 16.10 C +ATOM 1381 CD2 PHE A 225 -21.252 -4.765 5.387 1.00 18.67 C +ATOM 1382 CE1 PHE A 225 -23.373 -6.275 6.294 1.00 20.45 C +ATOM 1383 CE2 PHE A 225 -21.022 -5.928 6.119 1.00 22.52 C +ATOM 1384 CZ PHE A 225 -22.087 -6.680 6.570 1.00 20.97 C +ATOM 1385 H PHE A 225 -20.462 -2.980 2.961 1.00 0.00 H +ATOM 1386 HA PHE A 225 -23.268 -3.799 2.340 1.00 0.00 H +ATOM 1387 HB2 PHE A 225 -22.235 -2.255 4.772 1.00 0.00 H +ATOM 1388 HB3 PHE A 225 -23.849 -2.755 4.517 1.00 0.00 H +ATOM 1389 HD1 PHE A 225 -24.611 -4.824 5.361 1.00 0.00 H +ATOM 1390 HD2 PHE A 225 -20.410 -4.182 5.044 1.00 0.00 H +ATOM 1391 HE1 PHE A 225 -24.210 -6.859 6.647 1.00 0.00 H +ATOM 1392 HE2 PHE A 225 -20.010 -6.240 6.333 1.00 0.00 H +ATOM 1393 HZ PHE A 225 -21.915 -7.583 7.137 1.00 0.00 H +ATOM 1394 N VAL A 226 -23.633 -1.543 1.297 1.00 10.50 N +ATOM 1395 CA VAL A 226 -23.972 -0.230 0.728 1.00 9.40 C +ATOM 1396 C VAL A 226 -25.274 0.238 1.353 1.00 10.09 C +ATOM 1397 O VAL A 226 -26.328 -0.373 1.150 1.00 11.10 O +ATOM 1398 CB VAL A 226 -24.065 -0.292 -0.828 1.00 10.42 C +ATOM 1399 CG1 VAL A 226 -24.372 1.079 -1.374 1.00 10.85 C +ATOM 1400 CG2 VAL A 226 -22.756 -0.855 -1.433 1.00 10.04 C +ATOM 1401 H VAL A 226 -24.096 -2.349 0.903 1.00 0.00 H +ATOM 1402 HA VAL A 226 -23.187 0.476 0.998 1.00 0.00 H +ATOM 1403 HB VAL A 226 -24.883 -0.960 -1.097 1.00 0.00 H +ATOM 1404 HG11 VAL A 226 -24.436 1.032 -2.461 1.00 0.00 H +ATOM 1405 HG12 VAL A 226 -25.322 1.427 -0.969 1.00 0.00 H +ATOM 1406 HG13 VAL A 226 -23.580 1.771 -1.087 1.00 0.00 H +ATOM 1407 HG21 VAL A 226 -22.843 -0.890 -2.519 1.00 0.00 H +ATOM 1408 HG22 VAL A 226 -21.921 -0.212 -1.156 1.00 0.00 H +ATOM 1409 HG23 VAL A 226 -22.582 -1.861 -1.051 1.00 0.00 H +ATOM 1410 N MET A 227 -25.180 1.278 2.158 1.00 10.48 N +ATOM 1411 CA MET A 227 -26.274 1.747 2.995 1.00 7.35 C +ATOM 1412 C MET A 227 -26.594 3.195 2.722 1.00 9.17 C +ATOM 1413 O MET A 227 -25.783 3.938 2.175 1.00 8.08 O +ATOM 1414 CB MET A 227 -25.871 1.614 4.467 1.00 10.75 C +ATOM 1415 CG MET A 227 -25.604 0.175 4.924 1.00 11.92 C +ATOM 1416 SD MET A 227 -24.811 0.047 6.532 1.00 13.99 S +ATOM 1417 CE MET A 227 -23.167 0.575 6.163 1.00 13.77 C +ATOM 1418 H MET A 227 -24.314 1.795 2.216 1.00 0.00 H +ATOM 1419 HA MET A 227 -27.159 1.140 2.806 1.00 0.00 H +ATOM 1420 HB2 MET A 227 -24.987 2.223 4.656 1.00 0.00 H +ATOM 1421 HB3 MET A 227 -26.646 2.054 5.095 1.00 0.00 H +ATOM 1422 HG2 MET A 227 -26.542 -0.379 4.939 1.00 0.00 H +ATOM 1423 HG3 MET A 227 -24.993 -0.333 4.178 1.00 0.00 H +ATOM 1424 HE1 MET A 227 -22.563 0.546 7.070 1.00 0.00 H +ATOM 1425 HE2 MET A 227 -22.731 -0.088 5.415 1.00 0.00 H +ATOM 1426 HE3 MET A 227 -23.190 1.594 5.776 1.00 0.00 H +ATOM 1427 N GLU A 228 -27.780 3.636 3.095 1.00 10.61 N +ATOM 1428 CA GLU A 228 -28.138 5.046 3.026 0.50 12.63 C +ATOM 1429 C GLU A 228 -27.137 5.895 3.812 1.00 11.12 C +ATOM 1430 O GLU A 228 -26.837 5.590 4.983 1.00 11.63 O +ATOM 1431 CB GLU A 228 -29.566 5.265 3.564 0.50 14.63 C +ATOM 1432 CG GLU A 228 -30.630 4.586 2.683 0.50 18.64 C +ATOM 1433 CD GLU A 228 -32.053 5.034 2.960 0.50 24.24 C +ATOM 1434 OE1 GLU A 228 -32.458 5.092 4.138 0.50 25.51 O +ATOM 1435 OE2 GLU A 228 -32.784 5.278 1.978 0.50 32.50 O1- +ATOM 1436 H GLU A 228 -28.473 2.989 3.442 1.00 0.00 H +ATOM 1437 HA GLU A 228 -28.111 5.358 1.982 0.50 0.00 H +ATOM 1438 HB2 GLU A 228 -29.634 4.876 4.580 0.50 0.00 H +ATOM 1439 HB3 GLU A 228 -29.772 6.334 3.622 0.50 0.00 H +ATOM 1440 HG2 GLU A 228 -30.394 4.760 1.633 0.50 0.00 H +ATOM 1441 HG3 GLU A 228 -30.562 3.505 2.803 0.50 0.00 H +ATOM 1442 N TYR A 229 -26.649 6.943 3.176 1.00 11.47 N +ATOM 1443 CA TYR A 229 -25.726 7.885 3.776 1.00 11.02 C +ATOM 1444 C TYR A 229 -26.451 8.856 4.709 1.00 8.98 C +ATOM 1445 O TYR A 229 -27.388 9.558 4.282 1.00 11.03 O +ATOM 1446 CB TYR A 229 -24.998 8.601 2.636 1.00 12.38 C +ATOM 1447 CG TYR A 229 -24.141 9.798 2.986 1.00 10.91 C +ATOM 1448 CD1 TYR A 229 -23.233 9.756 4.044 1.00 11.09 C +ATOM 1449 CD2 TYR A 229 -24.210 10.973 2.231 1.00 16.89 C +ATOM 1450 CE1 TYR A 229 -22.417 10.860 4.360 1.00 11.09 C +ATOM 1451 CE2 TYR A 229 -23.394 12.079 2.537 1.00 14.29 C +ATOM 1452 CZ TYR A 229 -22.503 12.023 3.610 1.00 12.27 C +ATOM 1453 OH TYR A 229 -21.677 13.109 3.965 1.00 14.11 O +ATOM 1454 H TYR A 229 -26.916 7.122 2.219 1.00 0.00 H +ATOM 1455 HA TYR A 229 -24.993 7.328 4.359 1.00 0.00 H +ATOM 1456 HB2 TYR A 229 -24.395 7.878 2.087 1.00 0.00 H +ATOM 1457 HB3 TYR A 229 -25.723 8.891 1.875 1.00 0.00 H +ATOM 1458 HD1 TYR A 229 -23.143 8.862 4.643 1.00 0.00 H +ATOM 1459 HD2 TYR A 229 -24.896 11.041 1.400 1.00 0.00 H +ATOM 1460 HE1 TYR A 229 -21.724 10.801 5.187 1.00 0.00 H +ATOM 1461 HE2 TYR A 229 -23.455 12.977 1.940 1.00 0.00 H +ATOM 1462 HH TYR A 229 -21.838 13.843 3.367 1.00 0.00 H +ATOM 1463 N ALA A 230 -26.059 8.881 5.981 1.00 10.48 N +ATOM 1464 CA ALA A 230 -26.596 9.810 6.943 1.00 10.89 C +ATOM 1465 C ALA A 230 -25.763 11.109 6.896 1.00 7.97 C +ATOM 1466 O ALA A 230 -24.770 11.281 7.635 1.00 11.11 O +ATOM 1467 CB ALA A 230 -26.558 9.180 8.306 1.00 13.21 C +ATOM 1468 H ALA A 230 -25.358 8.231 6.306 1.00 0.00 H +ATOM 1469 HA ALA A 230 -27.630 10.038 6.682 1.00 0.00 H +ATOM 1470 HB1 ALA A 230 -26.963 9.877 9.040 1.00 0.00 H +ATOM 1471 HB2 ALA A 230 -27.156 8.269 8.302 1.00 0.00 H +ATOM 1472 HB3 ALA A 230 -25.528 8.937 8.566 1.00 0.00 H +ATOM 1473 N ASN A 231 -26.199 12.040 6.053 1.00 9.57 N +ATOM 1474 CA ASN A 231 -25.414 13.265 5.749 1.00 11.06 C +ATOM 1475 C ASN A 231 -25.180 14.151 6.981 1.00 8.57 C +ATOM 1476 O ASN A 231 -24.249 14.956 7.002 1.00 12.33 O +ATOM 1477 CB ASN A 231 -26.095 14.164 4.706 1.00 11.78 C +ATOM 1478 CG ASN A 231 -26.493 13.458 3.440 1.00 14.14 C +ATOM 1479 ND2 ASN A 231 -26.061 14.015 2.309 1.00 16.30 N +ATOM 1480 OD1 ASN A 231 -27.222 12.446 3.460 1.00 14.49 O +ATOM 1481 H ASN A 231 -27.092 11.928 5.594 1.00 0.00 H +ATOM 1482 HA ASN A 231 -24.443 12.961 5.357 1.00 0.00 H +ATOM 1483 HB2 ASN A 231 -26.974 14.631 5.151 1.00 0.00 H +ATOM 1484 HB3 ASN A 231 -25.436 14.998 4.463 1.00 0.00 H +ATOM 1485 HD21 ASN A 231 -25.504 14.857 2.341 1.00 0.00 H +ATOM 1486 HD22 ASN A 231 -26.290 13.595 1.420 1.00 0.00 H +ATOM 1487 N GLY A 232 -26.049 14.067 7.980 1.00 10.45 N +ATOM 1488 CA GLY A 232 -25.955 14.901 9.160 1.00 11.94 C +ATOM 1489 C GLY A 232 -24.972 14.483 10.231 1.00 8.75 C +ATOM 1490 O GLY A 232 -24.824 15.208 11.227 1.00 12.23 O +ATOM 1491 H GLY A 232 -26.809 13.404 7.933 1.00 0.00 H +ATOM 1492 HA2 GLY A 232 -25.740 15.926 8.858 1.00 0.00 H +ATOM 1493 HA3 GLY A 232 -26.945 15.006 9.604 1.00 0.00 H +ATOM 1494 N GLY A 233 -24.299 13.341 10.047 1.00 9.75 N +ATOM 1495 CA GLY A 233 -23.245 12.930 10.973 1.00 10.07 C +ATOM 1496 C GLY A 233 -23.735 12.279 12.249 1.00 12.57 C +ATOM 1497 O GLY A 233 -24.932 12.100 12.446 1.00 11.84 O +ATOM 1498 H GLY A 233 -24.516 12.748 9.259 1.00 0.00 H +ATOM 1499 HA2 GLY A 233 -22.560 12.253 10.462 1.00 0.00 H +ATOM 1500 HA3 GLY A 233 -22.627 13.793 11.222 1.00 0.00 H +ATOM 1501 N GLU A 234 -22.801 11.922 13.129 1.00 12.61 N +ATOM 1502 CA GLU A 234 -23.125 11.326 14.415 1.00 12.20 C +ATOM 1503 C GLU A 234 -23.607 12.367 15.416 1.00 12.45 C +ATOM 1504 O GLU A 234 -23.135 13.508 15.417 1.00 10.89 O +ATOM 1505 CB GLU A 234 -21.912 10.645 15.028 1.00 10.57 C +ATOM 1506 CG GLU A 234 -21.280 9.602 14.166 1.00 12.93 C +ATOM 1507 CD GLU A 234 -19.994 9.038 14.755 1.00 14.65 C +ATOM 1508 OE1 GLU A 234 -19.417 9.636 15.702 1.00 15.09 O +ATOM 1509 OE2 GLU A 234 -19.578 7.990 14.254 1.00 14.24 O1- +ATOM 1510 H GLU A 234 -21.824 12.062 12.914 1.00 0.00 H +ATOM 1511 HA GLU A 234 -23.911 10.584 14.272 1.00 0.00 H +ATOM 1512 HB2 GLU A 234 -21.168 11.398 15.287 1.00 0.00 H +ATOM 1513 HB3 GLU A 234 -22.191 10.202 15.984 1.00 0.00 H +ATOM 1514 HG2 GLU A 234 -21.989 8.791 14.001 1.00 0.00 H +ATOM 1515 HG3 GLU A 234 -21.073 10.022 13.182 1.00 0.00 H +ATOM 1516 N LEU A 235 -24.541 11.988 16.283 1.00 12.35 N +ATOM 1517 CA LEU A 235 -24.840 12.839 17.438 1.00 11.35 C +ATOM 1518 C LEU A 235 -23.612 13.105 18.300 1.00 11.13 C +ATOM 1519 O LEU A 235 -23.512 14.166 18.903 1.00 12.31 O +ATOM 1520 CB LEU A 235 -25.976 12.259 18.282 1.00 15.12 C +ATOM 1521 CG LEU A 235 -27.386 12.253 17.695 1.00 16.23 C +ATOM 1522 CD1 LEU A 235 -28.329 11.795 18.790 1.00 16.44 C +ATOM 1523 CD2 LEU A 235 -27.762 13.616 17.184 1.00 16.47 C +ATOM 1524 H LEU A 235 -25.038 11.120 16.143 1.00 0.00 H +ATOM 1525 HA LEU A 235 -25.180 13.800 17.053 1.00 0.00 H +ATOM 1526 HB2 LEU A 235 -25.712 11.246 18.587 1.00 0.00 H +ATOM 1527 HB3 LEU A 235 -25.994 12.762 19.249 1.00 0.00 H +ATOM 1528 HG LEU A 235 -27.425 11.541 16.871 1.00 0.00 H +ATOM 1529 HD11 LEU A 235 -29.350 11.778 18.408 1.00 0.00 H +ATOM 1530 HD12 LEU A 235 -28.047 10.794 19.118 1.00 0.00 H +ATOM 1531 HD13 LEU A 235 -28.269 12.483 19.633 1.00 0.00 H +ATOM 1532 HD21 LEU A 235 -28.770 13.584 16.771 1.00 0.00 H +ATOM 1533 HD22 LEU A 235 -27.728 14.334 18.003 1.00 0.00 H +ATOM 1534 HD23 LEU A 235 -27.061 13.919 16.406 1.00 0.00 H +ATOM 1535 N PHE A 236 -22.680 12.150 18.329 1.00 11.68 N +ATOM 1536 CA PHE A 236 -21.398 12.339 19.009 1.00 12.99 C +ATOM 1537 C PHE A 236 -20.680 13.596 18.520 1.00 15.04 C +ATOM 1538 O PHE A 236 -20.157 14.379 19.314 1.00 14.94 O +ATOM 1539 CB PHE A 236 -20.495 11.123 18.793 1.00 13.70 C +ATOM 1540 CG PHE A 236 -19.184 11.222 19.497 1.00 16.24 C +ATOM 1541 CD1 PHE A 236 -19.110 10.986 20.851 1.00 17.04 C +ATOM 1542 CD2 PHE A 236 -18.038 11.589 18.814 1.00 20.31 C +ATOM 1543 CE1 PHE A 236 -17.905 11.104 21.524 1.00 24.01 C +ATOM 1544 CE2 PHE A 236 -16.834 11.708 19.464 1.00 20.68 C +ATOM 1545 CZ PHE A 236 -16.766 11.468 20.832 1.00 24.75 C +ATOM 1546 H PHE A 236 -22.849 11.265 17.873 1.00 0.00 H +ATOM 1547 HA PHE A 236 -21.586 12.443 20.078 1.00 0.00 H +ATOM 1548 HB2 PHE A 236 -21.015 10.223 19.122 1.00 0.00 H +ATOM 1549 HB3 PHE A 236 -20.323 10.985 17.726 1.00 0.00 H +ATOM 1550 HD1 PHE A 236 -19.997 10.706 21.400 1.00 0.00 H +ATOM 1551 HD2 PHE A 236 -18.082 11.787 17.753 1.00 0.00 H +ATOM 1552 HE1 PHE A 236 -17.858 10.912 22.586 1.00 0.00 H +ATOM 1553 HE2 PHE A 236 -15.948 11.986 18.913 1.00 0.00 H +ATOM 1554 HZ PHE A 236 -15.825 11.566 21.354 1.00 0.00 H +ATOM 1555 N PHE A 237 -20.645 13.765 17.202 1.00 12.80 N +ATOM 1556 CA PHE A 237 -20.008 14.934 16.558 1.00 13.26 C +ATOM 1557 C PHE A 237 -20.645 16.231 17.065 1.00 14.09 C +ATOM 1558 O PHE A 237 -19.958 17.191 17.452 1.00 15.18 O +ATOM 1559 CB PHE A 237 -20.129 14.807 15.027 1.00 14.42 C +ATOM 1560 CG PHE A 237 -19.476 15.931 14.259 1.00 11.21 C +ATOM 1561 CD1 PHE A 237 -20.131 17.131 14.066 1.00 14.25 C +ATOM 1562 CD2 PHE A 237 -18.211 15.781 13.712 1.00 15.31 C +ATOM 1563 CE1 PHE A 237 -19.543 18.172 13.365 1.00 14.46 C +ATOM 1564 CE2 PHE A 237 -17.624 16.819 12.999 1.00 17.19 C +ATOM 1565 CZ PHE A 237 -18.293 17.996 12.826 1.00 14.94 C +ATOM 1566 H PHE A 237 -21.066 13.077 16.593 1.00 0.00 H +ATOM 1567 HA PHE A 237 -18.951 14.941 16.822 1.00 0.00 H +ATOM 1568 HB2 PHE A 237 -19.702 13.856 14.709 1.00 0.00 H +ATOM 1569 HB3 PHE A 237 -21.182 14.745 14.752 1.00 0.00 H +ATOM 1570 HD1 PHE A 237 -21.124 17.274 14.465 1.00 0.00 H +ATOM 1571 HD2 PHE A 237 -17.675 14.852 13.839 1.00 0.00 H +ATOM 1572 HE1 PHE A 237 -20.068 19.109 13.248 1.00 0.00 H +ATOM 1573 HE2 PHE A 237 -16.636 16.696 12.580 1.00 0.00 H +ATOM 1574 HZ PHE A 237 -17.832 18.792 12.260 1.00 0.00 H +ATOM 1575 N HID A 238 -21.970 16.283 17.059 1.00 12.45 N +ATOM 1576 CA HID A 238 -22.685 17.494 17.442 1.00 12.96 C +ATOM 1577 C HID A 238 -22.548 17.814 18.920 1.00 16.17 C +ATOM 1578 O HID A 238 -22.255 18.959 19.286 1.00 15.94 O +ATOM 1579 CB HID A 238 -24.160 17.412 17.019 1.00 14.21 C +ATOM 1580 CG HID A 238 -24.319 17.293 15.530 1.00 13.13 C +ATOM 1581 CD2 HID A 238 -24.606 16.227 14.745 1.00 12.35 C +ATOM 1582 ND1 HID A 238 -24.102 18.353 14.681 1.00 17.25 N +ATOM 1583 CE1 HID A 238 -24.247 17.942 13.432 1.00 15.83 C +ATOM 1584 NE2 HID A 238 -24.544 16.654 13.444 1.00 12.15 N +ATOM 1585 H HID A 238 -22.506 15.472 16.785 1.00 0.00 H +ATOM 1586 HA HID A 238 -22.237 18.321 16.890 1.00 0.00 H +ATOM 1587 HB2 HID A 238 -24.629 16.555 17.503 1.00 0.00 H +ATOM 1588 HB3 HID A 238 -24.688 18.299 17.370 1.00 0.00 H +ATOM 1589 HD1 HID A 238 -23.873 19.262 15.057 1.00 0.00 H +ATOM 1590 HD2 HID A 238 -24.826 15.270 15.194 1.00 0.00 H +ATOM 1591 HE1 HID A 238 -24.119 18.638 12.616 1.00 0.00 H +ATOM 1592 N LEU A 239 -22.723 16.802 19.758 1.00 16.10 N +ATOM 1593 CA LEU A 239 -22.683 17.021 21.203 1.00 18.41 C +ATOM 1594 C LEU A 239 -21.291 17.391 21.662 1.00 21.77 C +ATOM 1595 O LEU A 239 -21.145 18.169 22.603 1.00 25.45 O +ATOM 1596 CB LEU A 239 -23.226 15.799 21.945 1.00 16.44 C +ATOM 1597 CG LEU A 239 -23.776 16.038 23.353 1.00 19.38 C +ATOM 1598 CD1 LEU A 239 -24.931 17.012 23.345 1.00 16.69 C +ATOM 1599 CD2 LEU A 239 -24.210 14.695 23.949 1.00 23.28 C +ATOM 1600 H LEU A 239 -22.885 15.872 19.400 1.00 0.00 H +ATOM 1601 HA LEU A 239 -23.339 17.862 21.428 1.00 0.00 H +ATOM 1602 HB2 LEU A 239 -23.994 15.321 21.336 1.00 0.00 H +ATOM 1603 HB3 LEU A 239 -22.453 15.032 21.987 1.00 0.00 H +ATOM 1604 HG LEU A 239 -22.979 16.450 23.971 1.00 0.00 H +ATOM 1605 HD11 LEU A 239 -25.293 17.155 24.363 1.00 0.00 H +ATOM 1606 HD12 LEU A 239 -24.598 17.968 22.941 1.00 0.00 H +ATOM 1607 HD13 LEU A 239 -25.736 16.617 22.726 1.00 0.00 H +ATOM 1608 HD21 LEU A 239 -24.604 14.853 24.953 1.00 0.00 H +ATOM 1609 HD22 LEU A 239 -24.983 14.251 23.322 1.00 0.00 H +ATOM 1610 HD23 LEU A 239 -23.352 14.024 23.997 1.00 0.00 H +ATOM 1611 N SER A 240 -20.280 16.863 20.978 1.00 21.98 N +ATOM 1612 CA SER A 240 -18.876 17.222 21.214 1.00 24.56 C +ATOM 1613 C SER A 240 -18.642 18.714 21.044 1.00 26.42 C +ATOM 1614 O SER A 240 -17.876 19.325 21.804 1.00 33.39 O +ATOM 1615 CB SER A 240 -17.933 16.458 20.273 1.00 25.14 C +ATOM 1616 OG SER A 240 -17.716 15.130 20.720 1.00 30.83 O +ATOM 1617 H SER A 240 -20.461 16.180 20.256 1.00 0.00 H +ATOM 1618 HA SER A 240 -18.624 16.953 22.240 1.00 0.00 H +ATOM 1619 HB2 SER A 240 -18.359 16.438 19.270 1.00 0.00 H +ATOM 1620 HB3 SER A 240 -16.979 16.981 20.213 1.00 0.00 H +ATOM 1621 HG SER A 240 -17.124 14.680 20.113 1.00 0.00 H +ATOM 1622 N ARG A 241 -19.294 19.295 20.047 1.00 22.27 N +ATOM 1623 CA ARG A 241 -19.122 20.711 19.732 1.00 23.98 C +ATOM 1624 C ARG A 241 -20.057 21.628 20.519 1.00 24.59 C +ATOM 1625 O ARG A 241 -19.664 22.736 20.877 1.00 27.27 O +ATOM 1626 CB ARG A 241 -19.285 20.927 18.230 1.00 25.14 C +ATOM 1627 CG ARG A 241 -18.046 20.494 17.482 1.00 31.00 C +ATOM 1628 CD ARG A 241 -18.320 19.996 16.077 1.00 32.27 C +ATOM 1629 NE ARG A 241 -17.082 19.539 15.441 1.00 32.69 N +ATOM 1630 CZ ARG A 241 -16.454 18.389 15.704 1.00 41.25 C +ATOM 1631 NH1 ARG A 241 -15.329 18.089 15.055 1.00 47.31 N1+ +ATOM 1632 NH2 ARG A 241 -16.935 17.527 16.599 1.00 44.03 N1+ +ATOM 1633 H ARG A 241 -19.932 18.756 19.479 1.00 0.00 H +ATOM 1634 HA ARG A 241 -18.099 20.983 19.993 1.00 0.00 H +ATOM 1635 HB2 ARG A 241 -20.143 20.357 17.872 1.00 0.00 H +ATOM 1636 HB3 ARG A 241 -19.477 21.982 18.034 1.00 0.00 H +ATOM 1637 HG2 ARG A 241 -17.340 21.324 17.440 1.00 0.00 H +ATOM 1638 HG3 ARG A 241 -17.535 19.715 18.048 1.00 0.00 H +ATOM 1639 HD2 ARG A 241 -19.033 19.173 16.116 1.00 0.00 H +ATOM 1640 HD3 ARG A 241 -18.756 20.801 15.485 1.00 0.00 H +ATOM 1641 HE ARG A 241 -16.705 20.175 14.753 1.00 0.00 H +ATOM 1642 HH11 ARG A 241 -14.956 18.729 14.369 1.00 0.00 H +ATOM 1643 HH12 ARG A 241 -14.850 17.221 15.249 1.00 0.00 H +ATOM 1644 HH21 ARG A 241 -17.790 17.737 17.094 1.00 0.00 H +ATOM 1645 HH22 ARG A 241 -16.445 16.663 16.783 1.00 0.00 H +ATOM 1646 N GLU A 242 -21.269 21.155 20.813 1.00 22.73 N +ATOM 1647 CA GLU A 242 -22.315 21.962 21.469 1.00 21.19 C +ATOM 1648 C GLU A 242 -22.422 21.792 22.976 1.00 22.50 C +ATOM 1649 O GLU A 242 -23.107 22.586 23.615 1.00 22.23 O +ATOM 1650 CB GLU A 242 -23.691 21.652 20.876 1.00 21.74 C +ATOM 1651 CG GLU A 242 -23.778 21.990 19.418 1.00 29.45 C +ATOM 1652 CD GLU A 242 -25.101 21.617 18.810 1.00 32.33 C +ATOM 1653 OE1 GLU A 242 -26.119 21.671 19.521 1.00 34.99 O +ATOM 1654 OE2 GLU A 242 -25.119 21.277 17.612 1.00 51.02 O1- +ATOM 1655 H GLU A 242 -21.507 20.200 20.586 1.00 0.00 H +ATOM 1656 HA GLU A 242 -22.097 23.011 21.269 1.00 0.00 H +ATOM 1657 HB2 GLU A 242 -23.916 20.595 21.017 1.00 0.00 H +ATOM 1658 HB3 GLU A 242 -24.454 22.206 21.423 1.00 0.00 H +ATOM 1659 HG2 GLU A 242 -23.606 23.058 19.283 1.00 0.00 H +ATOM 1660 HG3 GLU A 242 -22.977 21.483 18.880 1.00 0.00 H +ATOM 1661 N ARG A 243 -21.812 20.731 23.498 1.00 22.35 N +ATOM 1662 CA ARG A 243 -21.803 20.412 24.941 0.50 23.46 C +ATOM 1663 C ARG A 243 -23.119 19.825 25.459 1.00 20.24 C +ATOM 1664 O ARG A 243 -23.116 18.729 26.025 1.00 21.73 O +ATOM 1665 CB ARG A 243 -21.404 21.607 25.812 0.50 24.92 C +ATOM 1666 CG ARG A 243 -21.056 21.194 27.240 0.50 26.99 C +ATOM 1667 CD ARG A 243 -20.794 22.392 28.139 0.50 27.40 C +ATOM 1668 NE ARG A 243 -22.023 23.074 28.542 0.50 28.55 N +ATOM 1669 CZ ARG A 243 -22.871 22.640 29.475 0.50 27.25 C +ATOM 1670 NH1 ARG A 243 -22.664 21.495 30.123 0.50 24.63 N1+ +ATOM 1671 NH2 ARG A 243 -23.951 23.358 29.751 0.50 33.43 N1+ +ATOM 1672 H ARG A 243 -21.317 20.087 22.898 1.00 0.00 H +ATOM 1673 HA ARG A 243 -21.040 19.648 25.088 0.50 0.00 H +ATOM 1674 HB2 ARG A 243 -20.550 22.114 25.363 0.50 0.00 H +ATOM 1675 HB3 ARG A 243 -22.220 22.329 25.832 0.50 0.00 H +ATOM 1676 HG2 ARG A 243 -21.871 20.601 27.655 0.50 0.00 H +ATOM 1677 HG3 ARG A 243 -20.176 20.551 27.227 0.50 0.00 H +ATOM 1678 HD2 ARG A 243 -20.252 22.067 29.027 0.50 0.00 H +ATOM 1679 HD3 ARG A 243 -20.141 23.096 27.623 0.50 0.00 H +ATOM 1680 HE ARG A 243 -22.209 23.938 28.053 0.50 0.00 H +ATOM 1681 HH11 ARG A 243 -21.851 20.935 29.912 0.50 0.00 H +ATOM 1682 HH12 ARG A 243 -23.320 21.187 30.826 0.50 0.00 H +ATOM 1683 HH21 ARG A 243 -24.123 24.222 29.257 0.50 0.00 H +ATOM 1684 HH22 ARG A 243 -24.602 23.041 30.455 0.50 0.00 H +ATOM 1685 N VAL A 244 -24.237 20.537 25.278 1.00 20.33 N +ATOM 1686 CA VAL A 244 -25.567 20.007 25.615 1.00 17.48 C +ATOM 1687 C VAL A 244 -26.581 20.353 24.545 1.00 14.57 C +ATOM 1688 O VAL A 244 -26.398 21.310 23.789 1.00 18.23 O +ATOM 1689 CB VAL A 244 -26.153 20.522 26.968 1.00 22.07 C +ATOM 1690 CG1 VAL A 244 -25.352 19.980 28.121 1.00 22.29 C +ATOM 1691 CG2 VAL A 244 -26.227 22.047 27.001 1.00 24.33 C +ATOM 1692 H VAL A 244 -24.185 21.471 24.898 1.00 0.00 H +ATOM 1693 HA VAL A 244 -25.493 18.921 25.671 1.00 0.00 H +ATOM 1694 HB VAL A 244 -27.169 20.137 27.059 1.00 0.00 H +ATOM 1695 HG11 VAL A 244 -25.770 20.346 29.059 1.00 0.00 H +ATOM 1696 HG12 VAL A 244 -25.388 18.891 28.109 1.00 0.00 H +ATOM 1697 HG13 VAL A 244 -24.317 20.310 28.032 1.00 0.00 H +ATOM 1698 HG21 VAL A 244 -26.639 22.371 27.957 1.00 0.00 H +ATOM 1699 HG22 VAL A 244 -25.227 22.463 26.878 1.00 0.00 H +ATOM 1700 HG23 VAL A 244 -26.868 22.398 26.192 1.00 0.00 H +ATOM 1701 N PHE A 245 -27.657 19.563 24.497 1.00 13.65 N +ATOM 1702 CA PHE A 245 -28.849 19.867 23.713 1.00 15.89 C +ATOM 1703 C PHE A 245 -29.893 20.390 24.665 1.00 14.82 C +ATOM 1704 O PHE A 245 -29.886 20.044 25.844 1.00 15.81 O +ATOM 1705 CB PHE A 245 -29.407 18.604 23.060 1.00 14.88 C +ATOM 1706 CG PHE A 245 -28.518 17.987 21.998 1.00 13.47 C +ATOM 1707 CD1 PHE A 245 -27.536 18.714 21.340 1.00 13.40 C +ATOM 1708 CD2 PHE A 245 -28.709 16.655 21.623 1.00 12.50 C +ATOM 1709 CE1 PHE A 245 -26.771 18.131 20.328 1.00 13.67 C +ATOM 1710 CE2 PHE A 245 -27.895 16.056 20.643 1.00 13.12 C +ATOM 1711 CZ PHE A 245 -26.939 16.807 19.999 1.00 12.88 C +ATOM 1712 H PHE A 245 -27.674 18.701 25.023 1.00 0.00 H +ATOM 1713 HA PHE A 245 -28.621 20.615 22.954 1.00 0.00 H +ATOM 1714 HB2 PHE A 245 -29.616 17.862 23.831 1.00 0.00 H +ATOM 1715 HB3 PHE A 245 -30.384 18.822 22.630 1.00 0.00 H +ATOM 1716 HD1 PHE A 245 -27.356 19.744 21.609 1.00 0.00 H +ATOM 1717 HD2 PHE A 245 -29.490 16.070 22.087 1.00 0.00 H +ATOM 1718 HE1 PHE A 245 -26.040 18.721 19.796 1.00 0.00 H +ATOM 1719 HE2 PHE A 245 -28.023 15.012 20.400 1.00 0.00 H +ATOM 1720 HZ PHE A 245 -26.321 16.358 19.236 1.00 0.00 H +ATOM 1721 N SER A 246 -30.828 21.191 24.161 1.00 16.51 N +ATOM 1722 CA SER A 246 -31.982 21.588 24.965 1.00 18.56 C +ATOM 1723 C SER A 246 -32.829 20.365 25.260 1.00 17.37 C +ATOM 1724 O SER A 246 -32.724 19.359 24.543 1.00 14.99 O +ATOM 1725 CB SER A 246 -32.845 22.606 24.224 1.00 17.40 C +ATOM 1726 OG SER A 246 -33.419 22.028 23.062 1.00 18.32 O +ATOM 1727 H SER A 246 -30.744 21.531 23.214 1.00 0.00 H +ATOM 1728 HA SER A 246 -31.636 22.022 25.903 1.00 0.00 H +ATOM 1729 HB2 SER A 246 -33.638 22.958 24.884 1.00 0.00 H +ATOM 1730 HB3 SER A 246 -32.233 23.462 23.939 1.00 0.00 H +ATOM 1731 HG SER A 246 -33.957 22.683 22.611 1.00 0.00 H +ATOM 1732 N GLU A 247 -33.680 20.463 26.280 1.00 18.18 N +ATOM 1733 CA GLU A 247 -34.622 19.392 26.609 1.00 18.27 C +ATOM 1734 C GLU A 247 -35.562 19.101 25.428 1.00 16.71 C +ATOM 1735 O GLU A 247 -35.781 17.940 25.085 1.00 16.07 O +ATOM 1736 CB GLU A 247 -35.386 19.704 27.903 1.00 19.66 C +ATOM 1737 CG GLU A 247 -34.477 19.645 29.143 1.00 24.99 C +ATOM 1738 CD GLU A 247 -35.204 19.846 30.475 1.00 27.58 C +ATOM 1739 OE1 GLU A 247 -36.445 19.656 30.535 1.00 24.65 O +ATOM 1740 OE2 GLU A 247 -34.513 20.165 31.471 1.00 23.40 O1- +ATOM 1741 H GLU A 247 -33.688 21.295 26.853 1.00 0.00 H +ATOM 1742 HA GLU A 247 -34.037 18.490 26.788 1.00 0.00 H +ATOM 1743 HB2 GLU A 247 -35.835 20.695 27.829 1.00 0.00 H +ATOM 1744 HB3 GLU A 247 -36.205 18.995 28.020 1.00 0.00 H +ATOM 1745 HG2 GLU A 247 -33.951 18.691 29.160 1.00 0.00 H +ATOM 1746 HG3 GLU A 247 -33.687 20.390 29.047 1.00 0.00 H +ATOM 1747 N ASP A 248 -36.084 20.137 24.774 1.00 18.95 N +ATOM 1748 CA ASP A 248 -36.873 19.929 23.543 1.00 19.31 C +ATOM 1749 C ASP A 248 -36.144 19.144 22.433 1.00 14.92 C +ATOM 1750 O ASP A 248 -36.722 18.240 21.837 1.00 16.81 O +ATOM 1751 CB ASP A 248 -37.335 21.270 22.971 1.00 21.83 C +ATOM 1752 CG ASP A 248 -38.472 21.903 23.774 1.00 32.62 C +ATOM 1753 OD1 ASP A 248 -38.930 21.308 24.774 1.00 37.76 O +ATOM 1754 OD2 ASP A 248 -38.904 23.016 23.394 1.00 37.43 O1- +ATOM 1755 H ASP A 248 -35.942 21.076 25.119 1.00 0.00 H +ATOM 1756 HA ASP A 248 -37.764 19.363 23.815 1.00 0.00 H +ATOM 1757 HB2 ASP A 248 -36.491 21.958 22.935 1.00 0.00 H +ATOM 1758 HB3 ASP A 248 -37.654 21.132 21.938 1.00 0.00 H +ATOM 1759 N ARG A 249 -34.872 19.477 22.183 1.00 12.21 N +ATOM 1760 CA ARG A 249 -34.086 18.782 21.162 1.00 13.50 C +ATOM 1761 C ARG A 249 -33.797 17.324 21.568 1.00 12.14 C +ATOM 1762 O ARG A 249 -33.969 16.393 20.771 1.00 10.37 O +ATOM 1763 CB ARG A 249 -32.801 19.543 20.877 1.00 15.17 C +ATOM 1764 CG ARG A 249 -31.978 18.899 19.798 1.00 14.48 C +ATOM 1765 CD ARG A 249 -30.876 19.808 19.316 1.00 17.50 C +ATOM 1766 NE ARG A 249 -30.081 19.193 18.260 1.00 18.87 N +ATOM 1767 CZ ARG A 249 -28.895 19.624 17.848 1.00 16.29 C +ATOM 1768 NH1 ARG A 249 -28.344 20.692 18.394 1.00 18.00 N1+ +ATOM 1769 NH2 ARG A 249 -28.252 18.982 16.890 1.00 18.32 N1+ +ATOM 1770 H ARG A 249 -34.434 20.223 22.704 1.00 0.00 H +ATOM 1771 HA ARG A 249 -34.673 18.763 20.244 1.00 0.00 H +ATOM 1772 HB2 ARG A 249 -33.042 20.566 20.587 1.00 0.00 H +ATOM 1773 HB3 ARG A 249 -32.211 19.612 21.791 1.00 0.00 H +ATOM 1774 HG2 ARG A 249 -31.545 17.973 20.176 1.00 0.00 H +ATOM 1775 HG3 ARG A 249 -32.622 18.634 18.960 1.00 0.00 H +ATOM 1776 HD2 ARG A 249 -31.308 20.739 18.949 1.00 0.00 H +ATOM 1777 HD3 ARG A 249 -30.228 20.068 20.153 1.00 0.00 H +ATOM 1778 HE ARG A 249 -30.498 18.378 17.833 1.00 0.00 H +ATOM 1779 HH11 ARG A 249 -28.825 21.188 19.131 1.00 0.00 H +ATOM 1780 HH12 ARG A 249 -27.441 21.014 18.075 1.00 0.00 H +ATOM 1781 HH21 ARG A 249 -28.662 18.161 16.469 1.00 0.00 H +ATOM 1782 HH22 ARG A 249 -27.350 19.312 16.578 1.00 0.00 H +ATOM 1783 N ALA A 250 -33.402 17.126 22.833 1.00 10.45 N +ATOM 1784 CA ALA A 250 -33.233 15.779 23.373 1.00 11.99 C +ATOM 1785 C ALA A 250 -34.533 14.950 23.314 1.00 13.20 C +ATOM 1786 O ALA A 250 -34.504 13.746 22.989 1.00 13.45 O +ATOM 1787 CB ALA A 250 -32.719 15.837 24.807 1.00 13.13 C +ATOM 1788 H ALA A 250 -33.215 17.916 23.433 1.00 0.00 H +ATOM 1789 HA ALA A 250 -32.483 15.268 22.769 1.00 0.00 H +ATOM 1790 HB1 ALA A 250 -32.599 14.824 25.192 1.00 0.00 H +ATOM 1791 HB2 ALA A 250 -31.757 16.349 24.828 1.00 0.00 H +ATOM 1792 HB3 ALA A 250 -33.432 16.379 25.428 1.00 0.00 H +ATOM 1793 N ARG A 251 -35.664 15.593 23.623 1.00 11.92 N +ATOM 1794 CA ARG A 251 -36.989 14.999 23.478 1.00 12.40 C +ATOM 1795 C ARG A 251 -37.280 14.479 22.054 1.00 9.89 C +ATOM 1796 O ARG A 251 -37.740 13.346 21.919 1.00 11.63 O +ATOM 1797 CB ARG A 251 -38.084 15.990 23.954 1.00 11.67 C +ATOM 1798 CG ARG A 251 -39.505 15.418 23.852 1.00 16.56 C +ATOM 1799 CD ARG A 251 -40.552 16.392 24.327 1.00 22.41 C +ATOM 1800 NE ARG A 251 -40.427 16.609 25.753 1.00 35.63 N +ATOM 1801 CZ ARG A 251 -40.041 17.729 26.361 1.00 34.77 C +ATOM 1802 NH1 ARG A 251 -39.735 18.830 25.689 1.00 32.19 N1+ +ATOM 1803 NH2 ARG A 251 -39.975 17.733 27.685 1.00 36.07 N1+ +ATOM 1804 H ARG A 251 -35.627 16.538 23.977 1.00 0.00 H +ATOM 1805 HA ARG A 251 -37.027 14.138 24.145 1.00 0.00 H +ATOM 1806 HB2 ARG A 251 -37.884 16.282 24.985 1.00 0.00 H +ATOM 1807 HB3 ARG A 251 -38.020 16.908 23.369 1.00 0.00 H +ATOM 1808 HG2 ARG A 251 -39.711 15.141 22.818 1.00 0.00 H +ATOM 1809 HG3 ARG A 251 -39.570 14.502 24.439 1.00 0.00 H +ATOM 1810 HD2 ARG A 251 -40.430 17.340 23.803 1.00 0.00 H +ATOM 1811 HD3 ARG A 251 -41.543 15.996 24.106 1.00 0.00 H +ATOM 1812 HE ARG A 251 -40.669 15.795 26.300 1.00 0.00 H +ATOM 1813 HH11 ARG A 251 -39.791 18.838 24.681 1.00 0.00 H +ATOM 1814 HH12 ARG A 251 -39.446 19.661 26.185 1.00 0.00 H +ATOM 1815 HH21 ARG A 251 -40.214 16.901 28.205 1.00 0.00 H +ATOM 1816 HH22 ARG A 251 -39.685 18.568 28.174 1.00 0.00 H +ATOM 1817 N PHE A 252 -37.046 15.302 21.038 1.00 10.99 N +ATOM 1818 CA PHE A 252 -37.217 14.924 19.634 1.00 11.00 C +ATOM 1819 C PHE A 252 -36.395 13.662 19.296 1.00 10.95 C +ATOM 1820 O PHE A 252 -36.916 12.681 18.786 1.00 10.82 O +ATOM 1821 CB PHE A 252 -36.850 16.106 18.746 1.00 12.17 C +ATOM 1822 CG PHE A 252 -36.789 15.768 17.301 1.00 11.95 C +ATOM 1823 CD1 PHE A 252 -37.920 15.767 16.501 1.00 19.22 C +ATOM 1824 CD2 PHE A 252 -35.575 15.393 16.742 1.00 14.74 C +ATOM 1825 CE1 PHE A 252 -37.824 15.397 15.152 1.00 17.03 C +ATOM 1826 CE2 PHE A 252 -35.474 15.036 15.426 1.00 14.36 C +ATOM 1827 CZ PHE A 252 -36.592 15.023 14.621 1.00 14.89 C +ATOM 1828 H PHE A 252 -36.732 16.246 21.214 1.00 0.00 H +ATOM 1829 HA PHE A 252 -38.270 14.694 19.472 1.00 0.00 H +ATOM 1830 HB2 PHE A 252 -37.569 16.911 18.899 1.00 0.00 H +ATOM 1831 HB3 PHE A 252 -35.890 16.512 19.063 1.00 0.00 H +ATOM 1832 HD1 PHE A 252 -38.876 16.051 16.916 1.00 0.00 H +ATOM 1833 HD2 PHE A 252 -34.682 15.379 17.350 1.00 0.00 H +ATOM 1834 HE1 PHE A 252 -38.704 15.402 14.527 1.00 0.00 H +ATOM 1835 HE2 PHE A 252 -34.514 14.762 15.013 1.00 0.00 H +ATOM 1836 HZ PHE A 252 -36.518 14.726 13.585 1.00 0.00 H +ATOM 1837 N TYR A 253 -35.096 13.697 19.566 1.00 10.20 N +ATOM 1838 CA TYR A 253 -34.241 12.527 19.330 1.00 11.05 C +ATOM 1839 C TYR A 253 -34.680 11.279 20.118 1.00 8.12 C +ATOM 1840 O TYR A 253 -34.790 10.192 19.572 1.00 8.43 O +ATOM 1841 CB TYR A 253 -32.781 12.868 19.628 1.00 11.69 C +ATOM 1842 CG TYR A 253 -32.192 13.953 18.727 1.00 9.52 C +ATOM 1843 CD1 TYR A 253 -32.527 14.042 17.348 1.00 8.12 C +ATOM 1844 CD2 TYR A 253 -31.259 14.859 19.226 1.00 12.91 C +ATOM 1845 CE1 TYR A 253 -32.003 15.027 16.551 1.00 9.88 C +ATOM 1846 CE2 TYR A 253 -30.714 15.824 18.428 1.00 12.18 C +ATOM 1847 CZ TYR A 253 -31.080 15.917 17.087 1.00 9.94 C +ATOM 1848 OH TYR A 253 -30.554 16.910 16.278 1.00 13.58 O +ATOM 1849 H TYR A 253 -34.680 14.538 19.940 1.00 0.00 H +ATOM 1850 HA TYR A 253 -34.308 12.283 18.270 1.00 0.00 H +ATOM 1851 HB2 TYR A 253 -32.687 13.174 20.670 1.00 0.00 H +ATOM 1852 HB3 TYR A 253 -32.176 11.965 19.549 1.00 0.00 H +ATOM 1853 HD1 TYR A 253 -33.206 13.325 16.910 1.00 0.00 H +ATOM 1854 HD2 TYR A 253 -30.955 14.806 20.261 1.00 0.00 H +ATOM 1855 HE1 TYR A 253 -32.308 15.105 15.518 1.00 0.00 H +ATOM 1856 HE2 TYR A 253 -29.996 16.520 18.836 1.00 0.00 H +ATOM 1857 HH TYR A 253 -29.936 17.442 16.784 1.00 0.00 H +ATOM 1858 N GLY A 254 -34.900 11.447 21.425 1.00 9.72 N +ATOM 1859 CA GLY A 254 -35.468 10.407 22.288 1.00 12.25 C +ATOM 1860 C GLY A 254 -36.722 9.749 21.738 1.00 8.34 C +ATOM 1861 O GLY A 254 -36.824 8.517 21.726 1.00 9.01 O +ATOM 1862 H GLY A 254 -34.672 12.326 21.867 1.00 0.00 H +ATOM 1863 HA2 GLY A 254 -34.713 9.644 22.478 1.00 0.00 H +ATOM 1864 HA3 GLY A 254 -35.683 10.830 23.269 1.00 0.00 H +ATOM 1865 N ALA A 255 -37.661 10.556 21.252 1.00 11.73 N +ATOM 1866 CA ALA A 255 -38.879 10.000 20.703 1.00 13.33 C +ATOM 1867 C ALA A 255 -38.623 9.112 19.441 1.00 10.77 C +ATOM 1868 O ALA A 255 -39.207 8.024 19.288 1.00 10.95 O +ATOM 1869 CB ALA A 255 -39.852 11.118 20.417 1.00 11.43 C +ATOM 1870 H ALA A 255 -37.524 11.557 21.266 1.00 0.00 H +ATOM 1871 HA ALA A 255 -39.324 9.364 21.468 1.00 0.00 H +ATOM 1872 HB1 ALA A 255 -40.771 10.703 20.003 1.00 0.00 H +ATOM 1873 HB2 ALA A 255 -40.078 11.649 21.342 1.00 0.00 H +ATOM 1874 HB3 ALA A 255 -39.411 11.810 19.699 1.00 0.00 H +ATOM 1875 N GLU A 256 -37.733 9.558 18.555 1.00 8.88 N +ATOM 1876 CA GLU A 256 -37.444 8.828 17.333 1.00 10.77 C +ATOM 1877 C GLU A 256 -36.698 7.522 17.670 1.00 11.78 C +ATOM 1878 O GLU A 256 -36.991 6.475 17.107 1.00 11.01 O +ATOM 1879 CB GLU A 256 -36.686 9.739 16.358 1.00 12.13 C +ATOM 1880 CG GLU A 256 -37.569 10.908 15.859 1.00 12.54 C +ATOM 1881 CD GLU A 256 -37.086 11.561 14.569 1.00 18.09 C +ATOM 1882 OE1 GLU A 256 -35.880 11.513 14.206 1.00 13.82 O +ATOM 1883 OE2 GLU A 256 -37.920 12.184 13.892 1.00 12.18 O1- +ATOM 1884 H GLU A 256 -37.241 10.423 18.725 1.00 0.00 H +ATOM 1885 HA GLU A 256 -38.394 8.561 16.871 1.00 0.00 H +ATOM 1886 HB2 GLU A 256 -35.799 10.139 16.850 1.00 0.00 H +ATOM 1887 HB3 GLU A 256 -36.344 9.153 15.505 1.00 0.00 H +ATOM 1888 HG2 GLU A 256 -38.592 10.556 15.724 1.00 0.00 H +ATOM 1889 HG3 GLU A 256 -37.643 11.664 16.641 1.00 0.00 H +ATOM 1890 N ILE A 257 -35.770 7.600 18.627 1.00 11.19 N +ATOM 1891 CA ILE A 257 -35.085 6.406 19.157 1.00 11.79 C +ATOM 1892 C ILE A 257 -36.065 5.391 19.790 1.00 11.09 C +ATOM 1893 O ILE A 257 -35.999 4.194 19.510 1.00 10.86 O +ATOM 1894 CB ILE A 257 -33.963 6.765 20.169 1.00 11.20 C +ATOM 1895 CG1 ILE A 257 -32.868 7.628 19.503 1.00 10.96 C +ATOM 1896 CG2 ILE A 257 -33.372 5.483 20.798 1.00 11.12 C +ATOM 1897 CD1 ILE A 257 -31.964 8.369 20.451 1.00 12.81 C +ATOM 1898 H ILE A 257 -35.516 8.498 19.012 1.00 0.00 H +ATOM 1899 HA ILE A 257 -34.608 5.908 18.313 1.00 0.00 H +ATOM 1900 HB ILE A 257 -34.411 7.354 20.969 1.00 0.00 H +ATOM 1901 HG12 ILE A 257 -32.265 7.001 18.846 1.00 0.00 H +ATOM 1902 HG13 ILE A 257 -33.335 8.339 18.821 1.00 0.00 H +ATOM 1903 HG21 ILE A 257 -32.587 5.753 21.505 1.00 0.00 H +ATOM 1904 HG22 ILE A 257 -34.158 4.938 21.320 1.00 0.00 H +ATOM 1905 HG23 ILE A 257 -32.953 4.853 20.014 1.00 0.00 H +ATOM 1906 HD11 ILE A 257 -31.233 8.943 19.882 1.00 0.00 H +ATOM 1907 HD12 ILE A 257 -32.558 9.046 21.066 1.00 0.00 H +ATOM 1908 HD13 ILE A 257 -31.446 7.656 21.092 1.00 0.00 H +ATOM 1909 N VAL A 258 -37.028 5.865 20.576 1.00 11.33 N +ATOM 1910 CA VAL A 258 -38.007 5.007 21.197 1.00 12.69 C +ATOM 1911 C VAL A 258 -38.858 4.324 20.112 1.00 11.57 C +ATOM 1912 O VAL A 258 -39.154 3.122 20.215 1.00 10.35 O +ATOM 1913 CB VAL A 258 -38.869 5.817 22.163 1.00 10.87 C +ATOM 1914 CG1 VAL A 258 -40.146 5.058 22.564 1.00 10.87 C +ATOM 1915 CG2 VAL A 258 -38.054 6.187 23.405 1.00 8.68 C +ATOM 1916 H VAL A 258 -37.091 6.857 20.755 1.00 0.00 H +ATOM 1917 HA VAL A 258 -37.483 4.236 21.763 1.00 0.00 H +ATOM 1918 HB VAL A 258 -39.165 6.739 21.663 1.00 0.00 H +ATOM 1919 HG11 VAL A 258 -40.731 5.668 23.252 1.00 0.00 H +ATOM 1920 HG12 VAL A 258 -40.738 4.846 21.674 1.00 0.00 H +ATOM 1921 HG13 VAL A 258 -39.875 4.121 23.051 1.00 0.00 H +ATOM 1922 HG21 VAL A 258 -38.676 6.765 24.089 1.00 0.00 H +ATOM 1923 HG22 VAL A 258 -37.715 5.278 23.902 1.00 0.00 H +ATOM 1924 HG23 VAL A 258 -37.190 6.782 23.109 1.00 0.00 H +ATOM 1925 N SER A 259 -39.255 5.093 19.092 1.00 11.55 N +ATOM 1926 CA SER A 259 -40.023 4.552 17.964 1.00 10.95 C +ATOM 1927 C SER A 259 -39.288 3.364 17.295 1.00 10.92 C +ATOM 1928 O SER A 259 -39.869 2.301 17.066 1.00 11.10 O +ATOM 1929 CB SER A 259 -40.332 5.674 16.990 1.00 12.64 C +ATOM 1930 OG SER A 259 -41.009 5.146 15.864 1.00 13.83 O +ATOM 1931 H SER A 259 -39.027 6.077 19.083 1.00 0.00 H +ATOM 1932 HA SER A 259 -40.970 4.180 18.354 1.00 0.00 H +ATOM 1933 HB2 SER A 259 -40.964 6.415 17.479 1.00 0.00 H +ATOM 1934 HB3 SER A 259 -39.402 6.142 16.668 1.00 0.00 H +ATOM 1935 HG SER A 259 -41.205 5.855 15.247 1.00 0.00 H +ATOM 1936 N ALA A 260 -37.993 3.558 17.041 1.00 8.94 N +ATOM 1937 CA ALA A 260 -37.124 2.553 16.408 1.00 11.20 C +ATOM 1938 C ALA A 260 -36.970 1.317 17.301 1.00 11.49 C +ATOM 1939 O ALA A 260 -37.099 0.189 16.823 1.00 10.74 O +ATOM 1940 CB ALA A 260 -35.762 3.145 16.083 1.00 13.01 C +ATOM 1941 H ALA A 260 -37.556 4.435 17.286 1.00 0.00 H +ATOM 1942 HA ALA A 260 -37.590 2.241 15.474 1.00 0.00 H +ATOM 1943 HB1 ALA A 260 -35.137 2.384 15.616 1.00 0.00 H +ATOM 1944 HB2 ALA A 260 -35.884 3.985 15.399 1.00 0.00 H +ATOM 1945 HB3 ALA A 260 -35.287 3.491 17.001 1.00 0.00 H +ATOM 1946 N LEU A 261 -36.705 1.538 18.594 1.00 11.26 N +ATOM 1947 CA LEU A 261 -36.496 0.436 19.522 1.00 12.46 C +ATOM 1948 C LEU A 261 -37.774 -0.351 19.787 1.00 10.38 C +ATOM 1949 O LEU A 261 -37.718 -1.581 19.906 1.00 13.62 O +ATOM 1950 CB LEU A 261 -35.893 0.914 20.824 1.00 13.09 C +ATOM 1951 CG LEU A 261 -34.436 1.408 20.788 1.00 12.77 C +ATOM 1952 CD1 LEU A 261 -34.069 2.106 22.093 1.00 21.63 C +ATOM 1953 CD2 LEU A 261 -33.446 0.297 20.510 1.00 17.60 C +ATOM 1954 H LEU A 261 -36.647 2.484 18.943 1.00 0.00 H +ATOM 1955 HA LEU A 261 -35.781 -0.247 19.062 1.00 0.00 H +ATOM 1956 HB2 LEU A 261 -36.525 1.695 21.246 1.00 0.00 H +ATOM 1957 HB3 LEU A 261 -35.986 0.126 21.572 1.00 0.00 H +ATOM 1958 HG LEU A 261 -34.352 2.139 19.984 1.00 0.00 H +ATOM 1959 HD11 LEU A 261 -33.035 2.447 22.045 1.00 0.00 H +ATOM 1960 HD12 LEU A 261 -34.726 2.962 22.245 1.00 0.00 H +ATOM 1961 HD13 LEU A 261 -34.183 1.409 22.923 1.00 0.00 H +ATOM 1962 HD21 LEU A 261 -32.435 0.705 20.497 1.00 0.00 H +ATOM 1963 HD22 LEU A 261 -33.521 -0.461 21.290 1.00 0.00 H +ATOM 1964 HD23 LEU A 261 -33.668 -0.155 19.543 1.00 0.00 H +ATOM 1965 N ASP A 262 -38.905 0.354 19.877 1.00 11.58 N +ATOM 1966 CA ASP A 262 -40.229 -0.282 19.980 1.00 13.12 C +ATOM 1967 C ASP A 262 -40.480 -1.241 18.816 1.00 13.24 C +ATOM 1968 O ASP A 262 -40.916 -2.368 19.024 1.00 16.09 O +ATOM 1969 CB ASP A 262 -41.316 0.795 20.011 1.00 12.34 C +ATOM 1970 CG ASP A 262 -42.737 0.219 20.221 1.00 15.37 C +ATOM 1971 OD1 ASP A 262 -42.920 -0.785 20.939 1.00 20.24 O +ATOM 1972 OD2 ASP A 262 -43.687 0.805 19.678 1.00 22.74 O1- +ATOM 1973 H ASP A 262 -38.872 1.363 19.876 1.00 0.00 H +ATOM 1974 HA ASP A 262 -40.272 -0.847 20.911 1.00 0.00 H +ATOM 1975 HB2 ASP A 262 -41.095 1.510 20.803 1.00 0.00 H +ATOM 1976 HB3 ASP A 262 -41.289 1.363 19.081 1.00 0.00 H +ATOM 1977 N TYR A 263 -40.157 -0.791 17.599 1.00 11.78 N +ATOM 1978 CA TYR A 263 -40.265 -1.589 16.386 1.00 11.25 C +ATOM 1979 C TYR A 263 -39.394 -2.825 16.524 1.00 9.88 C +ATOM 1980 O TYR A 263 -39.870 -3.952 16.354 1.00 11.36 O +ATOM 1981 CB TYR A 263 -39.867 -0.770 15.146 1.00 9.81 C +ATOM 1982 CG TYR A 263 -39.610 -1.551 13.889 1.00 11.29 C +ATOM 1983 CD1 TYR A 263 -40.676 -2.001 13.091 1.00 14.31 C +ATOM 1984 CD2 TYR A 263 -38.315 -1.862 13.487 1.00 14.50 C +ATOM 1985 CE1 TYR A 263 -40.438 -2.720 11.918 1.00 13.52 C +ATOM 1986 CE2 TYR A 263 -38.068 -2.580 12.327 1.00 13.28 C +ATOM 1987 CZ TYR A 263 -39.134 -3.034 11.567 1.00 10.71 C +ATOM 1988 OH TYR A 263 -38.922 -3.727 10.393 1.00 12.92 O +ATOM 1989 H TYR A 263 -39.816 0.153 17.484 1.00 0.00 H +ATOM 1990 HA TYR A 263 -41.301 -1.907 16.272 1.00 0.00 H +ATOM 1991 HB2 TYR A 263 -40.632 -0.018 14.952 1.00 0.00 H +ATOM 1992 HB3 TYR A 263 -38.990 -0.167 15.380 1.00 0.00 H +ATOM 1993 HD1 TYR A 263 -41.695 -1.792 13.383 1.00 0.00 H +ATOM 1994 HD2 TYR A 263 -37.473 -1.543 14.083 1.00 0.00 H +ATOM 1995 HE1 TYR A 263 -41.265 -3.026 11.295 1.00 0.00 H +ATOM 1996 HE2 TYR A 263 -37.052 -2.781 12.023 1.00 0.00 H +ATOM 1997 HH TYR A 263 -37.981 -3.876 10.274 1.00 0.00 H +ATOM 1998 N LEU A 264 -38.104 -2.636 16.809 1.00 11.41 N +ATOM 1999 CA LEU A 264 -37.218 -3.764 16.946 1.00 12.11 C +ATOM 2000 C LEU A 264 -37.697 -4.799 17.959 1.00 14.23 C +ATOM 2001 O LEU A 264 -37.689 -6.005 17.666 1.00 13.36 O +ATOM 2002 CB LEU A 264 -35.787 -3.297 17.266 1.00 13.50 C +ATOM 2003 CG LEU A 264 -35.036 -2.660 16.071 1.00 10.54 C +ATOM 2004 CD1 LEU A 264 -33.652 -2.181 16.551 1.00 10.99 C +ATOM 2005 CD2 LEU A 264 -34.891 -3.553 14.837 1.00 11.02 C +ATOM 2006 H LEU A 264 -37.745 -1.700 16.930 1.00 0.00 H +ATOM 2007 HA LEU A 264 -37.182 -4.260 15.976 1.00 0.00 H +ATOM 2008 HB2 LEU A 264 -35.815 -2.588 18.094 1.00 0.00 H +ATOM 2009 HB3 LEU A 264 -35.209 -4.139 17.648 1.00 0.00 H +ATOM 2010 HG LEU A 264 -35.598 -1.777 15.768 1.00 0.00 H +ATOM 2011 HD11 LEU A 264 -33.114 -1.730 15.717 1.00 0.00 H +ATOM 2012 HD12 LEU A 264 -33.777 -1.443 17.343 1.00 0.00 H +ATOM 2013 HD13 LEU A 264 -33.085 -3.030 16.932 1.00 0.00 H +ATOM 2014 HD21 LEU A 264 -34.351 -3.013 14.059 1.00 0.00 H +ATOM 2015 HD22 LEU A 264 -34.339 -4.454 15.103 1.00 0.00 H +ATOM 2016 HD23 LEU A 264 -35.879 -3.828 14.469 1.00 0.00 H +ATOM 2017 N HID A 265 -38.062 -4.342 19.150 1.00 12.98 N +ATOM 2018 CA HID A 265 -38.525 -5.251 20.197 1.00 12.97 C +ATOM 2019 C HID A 265 -39.835 -5.947 19.801 1.00 12.10 C +ATOM 2020 O HID A 265 -39.924 -7.169 19.895 1.00 14.75 O +ATOM 2021 CB HID A 265 -38.785 -4.513 21.522 1.00 11.92 C +ATOM 2022 CG HID A 265 -37.547 -4.030 22.217 1.00 13.58 C +ATOM 2023 CD2 HID A 265 -36.243 -4.019 21.856 1.00 14.26 C +ATOM 2024 ND1 HID A 265 -37.605 -3.459 23.466 1.00 14.62 N +ATOM 2025 CE1 HID A 265 -36.382 -3.106 23.841 1.00 13.41 C +ATOM 2026 NE2 HID A 265 -35.539 -3.413 22.867 1.00 13.94 N +ATOM 2027 H HID A 265 -38.022 -3.352 19.345 1.00 0.00 H +ATOM 2028 HA HID A 265 -37.761 -6.011 20.364 1.00 0.00 H +ATOM 2029 HB2 HID A 265 -39.450 -3.669 21.340 1.00 0.00 H +ATOM 2030 HB3 HID A 265 -39.346 -5.163 22.194 1.00 0.00 H +ATOM 2031 HD1 HID A 265 -38.493 -3.369 23.940 1.00 0.00 H +ATOM 2032 HD2 HID A 265 -35.941 -4.445 20.911 1.00 0.00 H +ATOM 2033 HE1 HID A 265 -36.224 -2.651 24.807 1.00 0.00 H +ATOM 2034 N SER A 266 -40.808 -5.154 19.370 1.00 14.42 N +ATOM 2035 CA SER A 266 -42.187 -5.608 19.206 1.00 18.45 C +ATOM 2036 C SER A 266 -42.448 -6.310 17.897 1.00 18.28 C +ATOM 2037 O SER A 266 -43.214 -7.278 17.877 1.00 20.67 O +ATOM 2038 CB SER A 266 -43.185 -4.441 19.290 1.00 16.97 C +ATOM 2039 OG SER A 266 -43.170 -3.830 20.561 1.00 29.35 O +ATOM 2040 H SER A 266 -40.610 -4.191 19.139 1.00 0.00 H +ATOM 2041 HA SER A 266 -42.412 -6.304 20.014 1.00 0.00 H +ATOM 2042 HB2 SER A 266 -42.941 -3.700 18.529 1.00 0.00 H +ATOM 2043 HB3 SER A 266 -44.189 -4.806 19.075 1.00 0.00 H +ATOM 2044 HG SER A 266 -43.803 -3.108 20.577 1.00 0.00 H +ATOM 2045 N GLU A 267 -41.859 -5.824 16.809 1.00 16.76 N +ATOM 2046 CA GLU A 267 -42.119 -6.364 15.480 1.00 18.78 C +ATOM 2047 C GLU A 267 -41.043 -7.303 14.996 1.00 19.58 C +ATOM 2048 O GLU A 267 -41.301 -8.168 14.168 1.00 24.54 O +ATOM 2049 CB GLU A 267 -42.327 -5.230 14.488 1.00 18.61 C +ATOM 2050 CG GLU A 267 -43.617 -4.467 14.774 1.00 25.64 C +ATOM 2051 CD GLU A 267 -43.938 -3.424 13.727 1.00 27.20 C +ATOM 2052 OE1 GLU A 267 -44.313 -2.300 14.114 1.00 35.80 O +ATOM 2053 OE2 GLU A 267 -43.804 -3.713 12.517 1.00 29.74 O1- +ATOM 2054 H GLU A 267 -41.208 -5.056 16.888 1.00 0.00 H +ATOM 2055 HA GLU A 267 -43.049 -6.930 15.532 1.00 0.00 H +ATOM 2056 HB2 GLU A 267 -41.481 -4.544 14.538 1.00 0.00 H +ATOM 2057 HB3 GLU A 267 -42.362 -5.635 13.476 1.00 0.00 H +ATOM 2058 HG2 GLU A 267 -44.445 -5.172 14.849 1.00 0.00 H +ATOM 2059 HG3 GLU A 267 -43.546 -3.989 15.751 1.00 0.00 H +ATOM 2060 N LYS A 268 -39.826 -7.141 15.485 1.00 17.85 N +ATOM 2061 CA LYS A 268 -38.734 -7.964 14.999 1.00 16.29 C +ATOM 2062 C LYS A 268 -38.126 -8.915 16.047 1.00 15.06 C +ATOM 2063 O LYS A 268 -37.318 -9.770 15.687 1.00 15.34 O +ATOM 2064 CB LYS A 268 -37.646 -7.068 14.358 1.00 16.14 C +ATOM 2065 CG LYS A 268 -38.092 -6.382 13.048 1.00 21.26 C +ATOM 2066 CD LYS A 268 -38.086 -7.358 11.830 1.00 21.90 C +ATOM 2067 CE LYS A 268 -39.172 -7.030 10.832 1.00 22.58 C +ATOM 2068 NZ LYS A 268 -39.307 -8.036 9.745 1.00 27.45 N1+ +ATOM 2069 H LYS A 268 -39.656 -6.445 16.197 1.00 0.00 H +ATOM 2070 HA LYS A 268 -39.139 -8.588 14.203 1.00 0.00 H +ATOM 2071 HB2 LYS A 268 -37.334 -6.309 15.075 1.00 0.00 H +ATOM 2072 HB3 LYS A 268 -36.753 -7.663 14.168 1.00 0.00 H +ATOM 2073 HG2 LYS A 268 -39.093 -5.970 13.177 1.00 0.00 H +ATOM 2074 HG3 LYS A 268 -37.435 -5.538 12.839 1.00 0.00 H +ATOM 2075 HD2 LYS A 268 -37.115 -7.316 11.336 1.00 0.00 H +ATOM 2076 HD3 LYS A 268 -38.216 -8.381 12.184 1.00 0.00 H +ATOM 2077 HE2 LYS A 268 -40.124 -6.931 11.353 1.00 0.00 H +ATOM 2078 HE3 LYS A 268 -38.978 -6.050 10.396 1.00 0.00 H +ATOM 2079 HZ1 LYS A 268 -40.047 -7.756 9.117 1.00 0.00 H +ATOM 2080 HZ2 LYS A 268 -38.438 -8.099 9.234 1.00 0.00 H +ATOM 2081 HZ3 LYS A 268 -39.528 -8.937 10.145 1.00 0.00 H +ATOM 2082 N ASN A 269 -38.493 -8.770 17.329 1.00 14.76 N +ATOM 2083 CA ASN A 269 -37.937 -9.595 18.407 1.00 16.02 C +ATOM 2084 C ASN A 269 -36.415 -9.465 18.470 1.00 15.75 C +ATOM 2085 O ASN A 269 -35.700 -10.429 18.633 1.00 14.53 O +ATOM 2086 CB ASN A 269 -38.377 -11.073 18.273 1.00 18.03 C +ATOM 2087 CG ASN A 269 -39.883 -11.246 18.422 1.00 19.98 C +ATOM 2088 ND2 ASN A 269 -40.426 -12.259 17.748 1.00 34.93 N +ATOM 2089 OD1 ASN A 269 -40.543 -10.507 19.150 1.00 28.48 O +ATOM 2090 H ASN A 269 -39.177 -8.072 17.583 1.00 0.00 H +ATOM 2091 HA ASN A 269 -38.337 -9.218 19.348 1.00 0.00 H +ATOM 2092 HB2 ASN A 269 -38.062 -11.458 17.303 1.00 0.00 H +ATOM 2093 HB3 ASN A 269 -37.867 -11.673 19.027 1.00 0.00 H +ATOM 2094 HD21 ASN A 269 -39.843 -12.858 17.181 1.00 0.00 H +ATOM 2095 HD22 ASN A 269 -41.420 -12.428 17.804 1.00 0.00 H +ATOM 2096 N VAL A 270 -35.948 -8.231 18.300 1.00 12.39 N +ATOM 2097 CA VAL A 270 -34.540 -7.884 18.274 1.00 14.29 C +ATOM 2098 C VAL A 270 -34.262 -6.939 19.441 1.00 14.01 C +ATOM 2099 O VAL A 270 -34.978 -5.951 19.656 1.00 14.02 O +ATOM 2100 CB VAL A 270 -34.138 -7.165 16.954 1.00 11.78 C +ATOM 2101 CG1 VAL A 270 -32.735 -6.528 17.072 1.00 11.76 C +ATOM 2102 CG2 VAL A 270 -34.168 -8.113 15.753 1.00 14.34 C +ATOM 2103 H VAL A 270 -36.590 -7.461 18.178 1.00 0.00 H +ATOM 2104 HA VAL A 270 -33.942 -8.788 18.390 1.00 0.00 H +ATOM 2105 HB VAL A 270 -34.857 -6.366 16.772 1.00 0.00 H +ATOM 2106 HG11 VAL A 270 -32.480 -6.033 16.135 1.00 0.00 H +ATOM 2107 HG12 VAL A 270 -32.734 -5.797 17.881 1.00 0.00 H +ATOM 2108 HG13 VAL A 270 -32.000 -7.304 17.284 1.00 0.00 H +ATOM 2109 HG21 VAL A 270 -33.881 -7.569 14.853 1.00 0.00 H +ATOM 2110 HG22 VAL A 270 -33.470 -8.933 15.920 1.00 0.00 H +ATOM 2111 HG23 VAL A 270 -35.175 -8.512 15.630 1.00 0.00 H +ATOM 2112 N VAL A 271 -33.187 -7.229 20.150 1.00 11.31 N +ATOM 2113 CA VAL A 271 -32.627 -6.309 21.147 1.00 13.01 C +ATOM 2114 C VAL A 271 -31.329 -5.722 20.578 1.00 11.82 C +ATOM 2115 O VAL A 271 -30.437 -6.446 20.137 1.00 13.01 O +ATOM 2116 CB VAL A 271 -32.418 -7.013 22.506 1.00 11.75 C +ATOM 2117 CG1 VAL A 271 -31.889 -6.059 23.589 1.00 11.12 C +ATOM 2118 CG2 VAL A 271 -33.708 -7.690 22.977 1.00 15.46 C +ATOM 2119 H VAL A 271 -32.717 -8.113 20.016 1.00 0.00 H +ATOM 2120 HA VAL A 271 -33.335 -5.493 21.292 1.00 0.00 H +ATOM 2121 HB VAL A 271 -31.671 -7.793 22.361 1.00 0.00 H +ATOM 2122 HG11 VAL A 271 -31.760 -6.605 24.524 1.00 0.00 H +ATOM 2123 HG12 VAL A 271 -30.930 -5.647 23.274 1.00 0.00 H +ATOM 2124 HG13 VAL A 271 -32.601 -5.247 23.738 1.00 0.00 H +ATOM 2125 HG21 VAL A 271 -33.534 -8.178 23.936 1.00 0.00 H +ATOM 2126 HG22 VAL A 271 -34.492 -6.941 23.088 1.00 0.00 H +ATOM 2127 HG23 VAL A 271 -34.018 -8.433 22.243 1.00 0.00 H +ATOM 2128 N TYR A 272 -31.227 -4.387 20.603 1.00 10.13 N +ATOM 2129 CA TYR A 272 -30.120 -3.672 19.953 1.00 9.68 C +ATOM 2130 C TYR A 272 -28.756 -3.767 20.669 1.00 9.12 C +ATOM 2131 O TYR A 272 -27.741 -3.988 20.001 1.00 12.45 O +ATOM 2132 CB TYR A 272 -30.567 -2.219 19.673 1.00 12.94 C +ATOM 2133 CG TYR A 272 -29.529 -1.402 18.959 1.00 11.63 C +ATOM 2134 CD1 TYR A 272 -29.300 -1.543 17.577 1.00 9.15 C +ATOM 2135 CD2 TYR A 272 -28.752 -0.490 19.664 1.00 16.13 C +ATOM 2136 CE1 TYR A 272 -28.282 -0.799 16.931 1.00 13.06 C +ATOM 2137 CE2 TYR A 272 -27.763 0.247 19.034 1.00 10.09 C +ATOM 2138 CZ TYR A 272 -27.533 0.098 17.664 1.00 12.20 C +ATOM 2139 OH TYR A 272 -26.540 0.837 17.083 1.00 13.29 O +ATOM 2140 H TYR A 272 -31.926 -3.836 21.080 1.00 0.00 H +ATOM 2141 HA TYR A 272 -29.985 -4.142 18.979 1.00 0.00 H +ATOM 2142 HB2 TYR A 272 -31.486 -2.230 19.086 1.00 0.00 H +ATOM 2143 HB3 TYR A 272 -30.826 -1.733 20.613 1.00 0.00 H +ATOM 2144 HD1 TYR A 272 -29.904 -2.225 16.996 1.00 0.00 H +ATOM 2145 HD2 TYR A 272 -28.915 -0.346 20.722 1.00 0.00 H +ATOM 2146 HE1 TYR A 272 -28.099 -0.937 15.876 1.00 0.00 H +ATOM 2147 HE2 TYR A 272 -27.163 0.943 19.602 1.00 0.00 H +ATOM 2148 HH TYR A 272 -26.132 1.401 17.744 1.00 0.00 H +ATOM 2149 N ARG A 273 -28.763 -3.562 22.001 1.00 10.41 N +ATOM 2150 CA ARG A 273 -27.638 -3.750 22.942 1.00 11.73 C +ATOM 2151 C ARG A 273 -26.488 -2.769 22.845 1.00 12.25 C +ATOM 2152 O ARG A 273 -25.649 -2.764 23.729 1.00 14.29 O +ATOM 2153 CB ARG A 273 -27.105 -5.179 22.862 1.00 12.16 C +ATOM 2154 CG ARG A 273 -28.143 -6.208 23.183 1.00 12.62 C +ATOM 2155 CD ARG A 273 -27.507 -7.547 23.601 1.00 14.05 C +ATOM 2156 NE ARG A 273 -26.909 -8.222 22.465 1.00 13.24 N +ATOM 2157 CZ ARG A 273 -26.500 -9.489 22.441 1.00 18.20 C +ATOM 2158 NH1 ARG A 273 -26.625 -10.246 23.527 1.00 20.56 N1+ +ATOM 2159 NH2 ARG A 273 -26.017 -10.016 21.327 1.00 18.83 N1+ +ATOM 2160 H ARG A 273 -29.605 -3.244 22.459 1.00 0.00 H +ATOM 2161 HA ARG A 273 -28.054 -3.635 23.943 1.00 0.00 H +ATOM 2162 HB2 ARG A 273 -26.710 -5.363 21.863 1.00 0.00 H +ATOM 2163 HB3 ARG A 273 -26.262 -5.290 23.544 1.00 0.00 H +ATOM 2164 HG2 ARG A 273 -28.780 -5.842 23.988 1.00 0.00 H +ATOM 2165 HG3 ARG A 273 -28.780 -6.365 22.312 1.00 0.00 H +ATOM 2166 HD2 ARG A 273 -26.744 -7.366 24.358 1.00 0.00 H +ATOM 2167 HD3 ARG A 273 -28.269 -8.188 24.044 1.00 0.00 H +ATOM 2168 HE ARG A 273 -26.813 -7.645 21.642 1.00 0.00 H +ATOM 2169 HH11 ARG A 273 -27.030 -9.860 24.368 1.00 0.00 H +ATOM 2170 HH12 ARG A 273 -26.315 -11.207 23.511 1.00 0.00 H +ATOM 2171 HH21 ARG A 273 -25.957 -9.456 20.488 1.00 0.00 H +ATOM 2172 HH22 ARG A 273 -25.709 -10.978 21.316 1.00 0.00 H +ATOM 2173 N ASP A 274 -26.429 -1.935 21.819 1.00 12.82 N +ATOM 2174 CA ASP A 274 -25.263 -1.048 21.638 1.00 14.30 C +ATOM 2175 C ASP A 274 -25.604 0.438 21.440 1.00 12.64 C +ATOM 2176 O ASP A 274 -24.908 1.172 20.730 1.00 11.61 O +ATOM 2177 CB ASP A 274 -24.386 -1.539 20.487 1.00 16.01 C +ATOM 2178 CG ASP A 274 -22.945 -1.007 20.570 1.00 18.49 C +ATOM 2179 OD1 ASP A 274 -22.458 -0.683 21.677 1.00 20.93 O +ATOM 2180 OD2 ASP A 274 -22.301 -0.930 19.508 1.00 24.39 O1- +ATOM 2181 H ASP A 274 -27.186 -1.901 21.151 1.00 0.00 H +ATOM 2182 HA ASP A 274 -24.665 -1.119 22.547 1.00 0.00 H +ATOM 2183 HB2 ASP A 274 -24.370 -2.629 20.483 1.00 0.00 H +ATOM 2184 HB3 ASP A 274 -24.830 -1.236 19.539 1.00 0.00 H +ATOM 2185 N LEU A 275 -26.643 0.914 22.106 1.00 13.60 N +ATOM 2186 CA LEU A 275 -27.012 2.314 21.949 1.00 11.28 C +ATOM 2187 C LEU A 275 -25.852 3.197 22.491 1.00 11.74 C +ATOM 2188 O LEU A 275 -25.357 2.991 23.606 1.00 14.19 O +ATOM 2189 CB LEU A 275 -28.351 2.609 22.645 1.00 15.96 C +ATOM 2190 CG LEU A 275 -29.244 3.673 22.003 1.00 19.49 C +ATOM 2191 CD1 LEU A 275 -29.880 3.231 20.700 1.00 19.25 C +ATOM 2192 CD2 LEU A 275 -30.310 4.096 23.017 1.00 21.89 C +ATOM 2193 H LEU A 275 -27.172 0.308 22.717 1.00 0.00 H +ATOM 2194 HA LEU A 275 -27.128 2.519 20.885 1.00 0.00 H +ATOM 2195 HB2 LEU A 275 -28.914 1.681 22.746 1.00 0.00 H +ATOM 2196 HB3 LEU A 275 -28.163 2.878 23.684 1.00 0.00 H +ATOM 2197 HG LEU A 275 -28.623 4.544 21.791 1.00 0.00 H +ATOM 2198 HD11 LEU A 275 -30.498 4.037 20.305 1.00 0.00 H +ATOM 2199 HD12 LEU A 275 -29.100 2.985 19.979 1.00 0.00 H +ATOM 2200 HD13 LEU A 275 -30.500 2.352 20.877 1.00 0.00 H +ATOM 2201 HD21 LEU A 275 -30.954 4.855 22.573 1.00 0.00 H +ATOM 2202 HD22 LEU A 275 -30.909 3.230 23.297 1.00 0.00 H +ATOM 2203 HD23 LEU A 275 -29.826 4.505 23.904 1.00 0.00 H +ATOM 2204 N LYS A 276 -25.403 4.143 21.677 1.00 13.60 N +ATOM 2205 CA LYS A 276 -24.391 5.124 22.045 1.00 12.65 C +ATOM 2206 C LYS A 276 -24.392 6.238 21.037 1.00 13.36 C +ATOM 2207 O LYS A 276 -24.922 6.076 19.930 1.00 10.31 O +ATOM 2208 CB LYS A 276 -23.006 4.478 22.124 1.00 11.50 C +ATOM 2209 CG LYS A 276 -22.501 3.840 20.866 1.00 11.43 C +ATOM 2210 CD LYS A 276 -21.063 3.371 21.069 1.00 16.93 C +ATOM 2211 CE LYS A 276 -20.631 2.395 20.035 1.00 15.93 C +ATOM 2212 NZ LYS A 276 -19.227 2.002 20.438 1.00 16.37 N1+ +ATOM 2213 H LYS A 276 -25.765 4.214 20.737 1.00 0.00 H +ATOM 2214 HA LYS A 276 -24.642 5.536 23.023 1.00 0.00 H +ATOM 2215 HB2 LYS A 276 -22.283 5.218 22.467 1.00 0.00 H +ATOM 2216 HB3 LYS A 276 -22.998 3.742 22.928 1.00 0.00 H +ATOM 2217 HG2 LYS A 276 -23.129 2.986 20.615 1.00 0.00 H +ATOM 2218 HG3 LYS A 276 -22.535 4.565 20.052 1.00 0.00 H +ATOM 2219 HD2 LYS A 276 -20.396 4.233 21.055 1.00 0.00 H +ATOM 2220 HD3 LYS A 276 -20.965 2.920 22.056 1.00 0.00 H +ATOM 2221 HE2 LYS A 276 -21.277 1.518 20.074 1.00 0.00 H +ATOM 2222 HE3 LYS A 276 -20.603 2.887 19.063 1.00 0.00 H +ATOM 2223 HZ1 LYS A 276 -18.861 1.333 19.776 1.00 0.00 H +ATOM 2224 HZ2 LYS A 276 -18.637 2.822 20.448 1.00 0.00 H +ATOM 2225 HZ3 LYS A 276 -19.244 1.588 21.359 1.00 0.00 H +ATOM 2226 N LEU A 277 -23.771 7.362 21.383 1.00 12.65 N +ATOM 2227 CA LEU A 277 -23.869 8.561 20.523 1.00 13.89 C +ATOM 2228 C LEU A 277 -23.253 8.394 19.130 1.00 11.12 C +ATOM 2229 O LEU A 277 -23.707 9.029 18.178 1.00 12.33 O +ATOM 2230 CB LEU A 277 -23.292 9.784 21.237 1.00 13.54 C +ATOM 2231 CG LEU A 277 -24.063 10.230 22.482 1.00 11.90 C +ATOM 2232 CD1 LEU A 277 -23.251 11.292 23.217 1.00 15.58 C +ATOM 2233 CD2 LEU A 277 -25.456 10.745 22.175 1.00 13.72 C +ATOM 2234 H LEU A 277 -23.230 7.398 22.235 1.00 0.00 H +ATOM 2235 HA LEU A 277 -24.931 8.756 20.375 1.00 0.00 H +ATOM 2236 HB2 LEU A 277 -22.254 9.588 21.507 1.00 0.00 H +ATOM 2237 HB3 LEU A 277 -23.229 10.615 20.535 1.00 0.00 H +ATOM 2238 HG LEU A 277 -24.162 9.368 23.142 1.00 0.00 H +ATOM 2239 HD11 LEU A 277 -23.794 11.615 24.105 1.00 0.00 H +ATOM 2240 HD12 LEU A 277 -22.288 10.875 23.512 1.00 0.00 H +ATOM 2241 HD13 LEU A 277 -23.090 12.146 22.560 1.00 0.00 H +ATOM 2242 HD21 LEU A 277 -25.946 11.044 23.102 1.00 0.00 H +ATOM 2243 HD22 LEU A 277 -25.387 11.604 21.508 1.00 0.00 H +ATOM 2244 HD23 LEU A 277 -26.037 9.958 21.695 1.00 0.00 H +ATOM 2245 N GLU A 278 -22.233 7.548 19.020 1.00 11.93 N +ATOM 2246 CA GLU A 278 -21.617 7.254 17.729 1.00 13.01 C +ATOM 2247 C GLU A 278 -22.548 6.490 16.772 1.00 12.68 C +ATOM 2248 O GLU A 278 -22.399 6.589 15.553 1.00 14.47 O +ATOM 2249 CB GLU A 278 -20.325 6.465 17.933 1.00 15.56 C +ATOM 2250 CG GLU A 278 -19.223 7.277 18.604 1.00 16.42 C +ATOM 2251 CD GLU A 278 -19.168 7.136 20.110 1.00 21.97 C +ATOM 2252 OE1 GLU A 278 -20.189 6.818 20.749 1.00 14.44 O +ATOM 2253 OE2 GLU A 278 -18.084 7.373 20.659 1.00 26.42 O1- +ATOM 2254 H GLU A 278 -21.865 7.091 19.842 1.00 0.00 H +ATOM 2255 HA GLU A 278 -21.359 8.202 17.258 1.00 0.00 H +ATOM 2256 HB2 GLU A 278 -20.534 5.577 18.529 1.00 0.00 H +ATOM 2257 HB3 GLU A 278 -19.969 6.098 16.970 1.00 0.00 H +ATOM 2258 HG2 GLU A 278 -18.259 6.997 18.180 1.00 0.00 H +ATOM 2259 HG3 GLU A 278 -19.340 8.329 18.344 1.00 0.00 H +ATOM 2260 N ASN A 279 -23.459 5.698 17.319 1.00 11.38 N +ATOM 2261 CA ASN A 279 -24.378 4.860 16.535 1.00 12.60 C +ATOM 2262 C ASN A 279 -25.718 5.562 16.241 1.00 11.71 C +ATOM 2263 O ASN A 279 -26.617 4.946 15.662 1.00 13.59 O +ATOM 2264 CB ASN A 279 -24.658 3.545 17.269 1.00 14.75 C +ATOM 2265 CG ASN A 279 -23.444 2.600 17.333 1.00 16.86 C +ATOM 2266 ND2 ASN A 279 -23.545 1.573 18.194 1.00 13.70 N +ATOM 2267 OD1 ASN A 279 -22.449 2.762 16.588 1.00 14.66 O +ATOM 2268 H ASN A 279 -23.548 5.649 18.324 1.00 0.00 H +ATOM 2269 HA ASN A 279 -23.899 4.625 15.584 1.00 0.00 H +ATOM 2270 HB2 ASN A 279 -25.001 3.762 18.281 1.00 0.00 H +ATOM 2271 HB3 ASN A 279 -25.490 3.032 16.787 1.00 0.00 H +ATOM 2272 HD21 ASN A 279 -24.381 1.460 18.749 1.00 0.00 H +ATOM 2273 HD22 ASN A 279 -22.785 0.915 18.286 1.00 0.00 H +ATOM 2274 N LEU A 280 -25.856 6.815 16.662 1.00 10.41 N +ATOM 2275 CA LEU A 280 -27.077 7.610 16.436 1.00 10.43 C +ATOM 2276 C LEU A 280 -26.711 8.733 15.488 1.00 13.74 C +ATOM 2277 O LEU A 280 -26.012 9.678 15.867 1.00 14.51 O +ATOM 2278 CB LEU A 280 -27.584 8.188 17.749 1.00 11.29 C +ATOM 2279 CG LEU A 280 -28.046 7.140 18.757 1.00 9.62 C +ATOM 2280 CD1 LEU A 280 -28.261 7.694 20.164 1.00 15.93 C +ATOM 2281 CD2 LEU A 280 -29.339 6.489 18.244 1.00 13.88 C +ATOM 2282 H LEU A 280 -25.103 7.265 17.162 1.00 0.00 H +ATOM 2283 HA LEU A 280 -27.847 6.984 15.986 1.00 0.00 H +ATOM 2284 HB2 LEU A 280 -26.804 8.802 18.198 1.00 0.00 H +ATOM 2285 HB3 LEU A 280 -28.401 8.880 17.547 1.00 0.00 H +ATOM 2286 HG LEU A 280 -27.280 6.367 18.813 1.00 0.00 H +ATOM 2287 HD11 LEU A 280 -28.589 6.891 20.825 1.00 0.00 H +ATOM 2288 HD12 LEU A 280 -27.326 8.113 20.537 1.00 0.00 H +ATOM 2289 HD13 LEU A 280 -29.022 8.474 20.136 1.00 0.00 H +ATOM 2290 HD21 LEU A 280 -29.677 5.738 18.958 1.00 0.00 H +ATOM 2291 HD22 LEU A 280 -30.109 7.252 18.128 1.00 0.00 H +ATOM 2292 HD23 LEU A 280 -29.150 6.014 17.281 1.00 0.00 H +ATOM 2293 N MET A 281 -27.144 8.606 14.237 1.00 8.92 N +ATOM 2294 CA MET A 281 -26.760 9.553 13.201 1.00 11.29 C +ATOM 2295 C MET A 281 -27.979 10.384 12.804 1.00 11.62 C +ATOM 2296 O MET A 281 -29.100 10.137 13.283 1.00 10.14 O +ATOM 2297 CB MET A 281 -26.108 8.840 12.004 1.00 13.74 C +ATOM 2298 CG MET A 281 -24.798 8.098 12.407 1.00 14.69 C +ATOM 2299 SD MET A 281 -23.808 7.614 11.025 1.00 14.90 S +ATOM 2300 CE MET A 281 -23.169 9.213 10.580 1.00 8.83 C +ATOM 2301 H MET A 281 -27.753 7.840 13.989 1.00 0.00 H +ATOM 2302 HA MET A 281 -26.020 10.231 13.628 1.00 0.00 H +ATOM 2303 HB2 MET A 281 -26.813 8.126 11.579 1.00 0.00 H +ATOM 2304 HB3 MET A 281 -25.887 9.569 11.224 1.00 0.00 H +ATOM 2305 HG2 MET A 281 -24.210 8.735 13.068 1.00 0.00 H +ATOM 2306 HG3 MET A 281 -25.048 7.217 12.999 1.00 0.00 H +ATOM 2307 HE1 MET A 281 -22.512 9.115 9.716 1.00 0.00 H +ATOM 2308 HE2 MET A 281 -23.996 9.880 10.334 1.00 0.00 H +ATOM 2309 HE3 MET A 281 -22.607 9.626 11.417 1.00 0.00 H +ATOM 2310 N LEU A 282 -27.727 11.410 12.000 1.00 10.92 N +ATOM 2311 CA LEU A 282 -28.778 12.282 11.467 1.00 10.95 C +ATOM 2312 C LEU A 282 -28.767 12.192 9.962 1.00 13.60 C +ATOM 2313 O LEU A 282 -27.700 12.239 9.325 1.00 11.33 O +ATOM 2314 CB LEU A 282 -28.595 13.746 11.915 1.00 11.22 C +ATOM 2315 CG LEU A 282 -28.608 14.017 13.429 1.00 11.30 C +ATOM 2316 CD1 LEU A 282 -28.367 15.488 13.695 1.00 17.99 C +ATOM 2317 CD2 LEU A 282 -29.928 13.533 14.030 1.00 15.66 C +ATOM 2318 H LEU A 282 -26.776 11.618 11.730 1.00 0.00 H +ATOM 2319 HA LEU A 282 -29.742 11.926 11.829 1.00 0.00 H +ATOM 2320 HB2 LEU A 282 -27.672 14.139 11.488 1.00 0.00 H +ATOM 2321 HB3 LEU A 282 -29.351 14.366 11.433 1.00 0.00 H +ATOM 2322 HG LEU A 282 -27.796 13.450 13.885 1.00 0.00 H +ATOM 2323 HD11 LEU A 282 -28.378 15.670 14.770 1.00 0.00 H +ATOM 2324 HD12 LEU A 282 -27.398 15.777 13.288 1.00 0.00 H +ATOM 2325 HD13 LEU A 282 -29.151 16.077 13.219 1.00 0.00 H +ATOM 2326 HD21 LEU A 282 -29.932 13.727 15.103 1.00 0.00 H +ATOM 2327 HD22 LEU A 282 -30.757 14.064 13.562 1.00 0.00 H +ATOM 2328 HD23 LEU A 282 -30.037 12.463 13.855 1.00 0.00 H +ATOM 2329 N ASP A 283 -29.953 12.045 9.382 1.00 11.28 N +ATOM 2330 CA ASP A 283 -30.112 12.107 7.926 1.00 10.61 C +ATOM 2331 C ASP A 283 -30.038 13.563 7.467 1.00 10.29 C +ATOM 2332 O ASP A 283 -29.942 14.465 8.286 1.00 12.53 O +ATOM 2333 CB ASP A 283 -31.359 11.340 7.440 1.00 14.04 C +ATOM 2334 CG ASP A 283 -32.695 11.972 7.843 1.00 12.96 C +ATOM 2335 OD1 ASP A 283 -32.760 13.172 8.201 1.00 13.72 O +ATOM 2336 OD2 ASP A 283 -33.721 11.229 7.698 1.00 17.29 O1- +ATOM 2337 H ASP A 283 -30.775 11.886 9.947 1.00 0.00 H +ATOM 2338 HA ASP A 283 -29.248 11.601 7.496 1.00 0.00 H +ATOM 2339 HB2 ASP A 283 -31.320 11.239 6.355 1.00 0.00 H +ATOM 2340 HB3 ASP A 283 -31.319 10.315 7.809 1.00 0.00 H +ATOM 2341 N LYS A 284 -30.096 13.792 6.162 1.00 10.62 N +ATOM 2342 CA LYS A 284 -29.981 15.155 5.596 1.00 12.94 C +ATOM 2343 C LYS A 284 -31.075 16.116 6.073 1.00 12.13 C +ATOM 2344 O LYS A 284 -30.891 17.328 6.035 1.00 15.60 O +ATOM 2345 CB LYS A 284 -29.957 15.112 4.059 1.00 13.14 C +ATOM 2346 CG LYS A 284 -31.259 14.623 3.405 1.00 15.07 C +ATOM 2347 CD LYS A 284 -31.207 14.640 1.868 1.00 23.32 C +ATOM 2348 CE LYS A 284 -30.191 13.658 1.268 1.00 34.61 C +ATOM 2349 NZ LYS A 284 -30.409 12.241 1.672 1.00 43.99 N1+ +ATOM 2350 H LYS A 284 -30.222 13.023 5.519 1.00 0.00 H +ATOM 2351 HA LYS A 284 -29.025 15.563 5.924 1.00 0.00 H +ATOM 2352 HB2 LYS A 284 -29.710 16.101 3.674 1.00 0.00 H +ATOM 2353 HB3 LYS A 284 -29.130 14.484 3.729 1.00 0.00 H +ATOM 2354 HG2 LYS A 284 -31.479 13.612 3.749 1.00 0.00 H +ATOM 2355 HG3 LYS A 284 -32.090 15.241 3.746 1.00 0.00 H +ATOM 2356 HD2 LYS A 284 -32.198 14.422 1.470 1.00 0.00 H +ATOM 2357 HD3 LYS A 284 -30.980 15.649 1.525 1.00 0.00 H +ATOM 2358 HE2 LYS A 284 -30.216 13.732 0.181 1.00 0.00 H +ATOM 2359 HE3 LYS A 284 -29.183 13.963 1.550 1.00 0.00 H +ATOM 2360 HZ1 LYS A 284 -29.707 11.656 1.242 1.00 0.00 H +ATOM 2361 HZ2 LYS A 284 -30.342 12.163 2.677 1.00 0.00 H +ATOM 2362 HZ3 LYS A 284 -31.326 11.942 1.372 1.00 0.00 H +ATOM 2363 N ASP A 285 -32.204 15.565 6.515 1.00 13.96 N +ATOM 2364 CA ASP A 285 -33.340 16.341 7.007 1.00 14.13 C +ATOM 2365 C ASP A 285 -33.315 16.569 8.531 1.00 14.31 C +ATOM 2366 O ASP A 285 -34.174 17.286 9.065 1.00 17.78 O +ATOM 2367 CB ASP A 285 -34.624 15.612 6.643 1.00 13.03 C +ATOM 2368 CG ASP A 285 -34.770 15.376 5.146 1.00 21.85 C +ATOM 2369 OD1 ASP A 285 -34.512 16.322 4.374 1.00 24.32 O +ATOM 2370 OD2 ASP A 285 -35.136 14.246 4.744 1.00 28.12 O1- +ATOM 2371 H ASP A 285 -32.307 14.560 6.521 1.00 0.00 H +ATOM 2372 HA ASP A 285 -33.339 17.311 6.511 1.00 0.00 H +ATOM 2373 HB2 ASP A 285 -34.658 14.656 7.165 1.00 0.00 H +ATOM 2374 HB3 ASP A 285 -35.479 16.183 7.005 1.00 0.00 H +ATOM 2375 N GLY A 286 -32.376 15.935 9.251 1.00 10.46 N +ATOM 2376 CA GLY A 286 -32.288 16.060 10.709 1.00 10.40 C +ATOM 2377 C GLY A 286 -33.000 15.005 11.569 1.00 9.96 C +ATOM 2378 O GLY A 286 -33.057 15.145 12.801 1.00 11.94 O +ATOM 2379 H GLY A 286 -31.697 15.347 8.789 1.00 0.00 H +ATOM 2380 HA2 GLY A 286 -31.239 16.109 11.000 1.00 0.00 H +ATOM 2381 HA3 GLY A 286 -32.631 17.052 11.004 1.00 0.00 H +ATOM 2382 N HID A 287 -33.518 13.963 10.930 1.00 10.74 N +ATOM 2383 CA HID A 287 -34.121 12.823 11.602 1.00 9.92 C +ATOM 2384 C HID A 287 -33.083 11.755 11.942 1.00 10.89 C +ATOM 2385 O HID A 287 -32.106 11.603 11.238 1.00 11.98 O +ATOM 2386 CB HID A 287 -35.266 12.230 10.744 1.00 11.71 C +ATOM 2387 CG HID A 287 -36.471 13.126 10.611 1.00 10.23 C +ATOM 2388 CD2 HID A 287 -36.889 13.905 9.583 1.00 10.87 C +ATOM 2389 ND1 HID A 287 -37.405 13.279 11.611 1.00 10.60 N +ATOM 2390 CE1 HID A 287 -38.337 14.132 11.217 1.00 9.78 C +ATOM 2391 NE2 HID A 287 -38.042 14.535 9.994 1.00 9.38 N +ATOM 2392 H HID A 287 -33.507 13.933 9.921 1.00 0.00 H +ATOM 2393 HA HID A 287 -34.554 13.178 12.537 1.00 0.00 H +ATOM 2394 HB2 HID A 287 -34.885 11.987 9.752 1.00 0.00 H +ATOM 2395 HB3 HID A 287 -35.573 11.272 11.164 1.00 0.00 H +ATOM 2396 HD1 HID A 287 -37.304 12.772 12.478 1.00 0.00 H +ATOM 2397 HD2 HID A 287 -36.325 13.933 8.663 1.00 0.00 H +ATOM 2398 HE1 HID A 287 -39.156 14.379 11.876 1.00 0.00 H +ATOM 2399 N ILE A 288 -33.310 11.035 13.032 1.00 10.91 N +ATOM 2400 CA ILE A 288 -32.423 9.975 13.516 1.00 8.07 C +ATOM 2401 C ILE A 288 -32.297 8.820 12.506 1.00 10.83 C +ATOM 2402 O ILE A 288 -33.276 8.380 11.865 1.00 11.58 O +ATOM 2403 CB ILE A 288 -32.978 9.404 14.860 1.00 10.68 C +ATOM 2404 CG1 ILE A 288 -32.811 10.426 15.983 1.00 15.01 C +ATOM 2405 CG2 ILE A 288 -32.281 8.092 15.250 1.00 10.18 C +ATOM 2406 CD1 ILE A 288 -31.331 10.654 16.439 1.00 10.93 C +ATOM 2407 H ILE A 288 -34.138 11.204 13.585 1.00 0.00 H +ATOM 2408 HA ILE A 288 -31.434 10.397 13.694 1.00 0.00 H +ATOM 2409 HB ILE A 288 -34.042 9.203 14.734 1.00 0.00 H +ATOM 2410 HG12 ILE A 288 -33.244 11.377 15.673 1.00 0.00 H +ATOM 2411 HG13 ILE A 288 -33.410 10.121 16.841 1.00 0.00 H +ATOM 2412 HG21 ILE A 288 -32.694 7.726 16.190 1.00 0.00 H +ATOM 2413 HG22 ILE A 288 -32.442 7.349 14.469 1.00 0.00 H +ATOM 2414 HG23 ILE A 288 -31.212 8.269 15.368 1.00 0.00 H +ATOM 2415 HD11 ILE A 288 -31.307 11.394 17.239 1.00 0.00 H +ATOM 2416 HD12 ILE A 288 -30.913 9.715 16.801 1.00 0.00 H +ATOM 2417 HD13 ILE A 288 -30.741 11.012 15.595 1.00 0.00 H +ATOM 2418 N LYS A 289 -31.066 8.326 12.380 1.00 12.03 N +ATOM 2419 CA LYS A 289 -30.779 7.028 11.780 0.50 13.37 C +ATOM 2420 C LYS A 289 -29.858 6.220 12.684 1.00 13.68 C +ATOM 2421 O LYS A 289 -28.733 6.625 12.936 1.00 15.37 O +ATOM 2422 CB LYS A 289 -30.107 7.215 10.427 0.50 14.64 C +ATOM 2423 CG LYS A 289 -31.012 7.786 9.367 0.50 15.84 C +ATOM 2424 CD LYS A 289 -32.099 6.792 8.992 0.50 18.52 C +ATOM 2425 CE LYS A 289 -32.807 7.189 7.721 0.50 21.35 C +ATOM 2426 NZ LYS A 289 -33.825 6.162 7.373 0.50 24.25 N1+ +ATOM 2427 H LYS A 289 -30.273 8.857 12.709 1.00 0.00 H +ATOM 2428 HA LYS A 289 -31.713 6.483 11.643 0.50 0.00 H +ATOM 2429 HB2 LYS A 289 -29.235 7.858 10.543 0.50 0.00 H +ATOM 2430 HB3 LYS A 289 -29.709 6.259 10.086 0.50 0.00 H +ATOM 2431 HG2 LYS A 289 -31.471 8.703 9.737 0.50 0.00 H +ATOM 2432 HG3 LYS A 289 -30.425 8.032 8.482 0.50 0.00 H +ATOM 2433 HD2 LYS A 289 -31.659 5.803 8.868 0.50 0.00 H +ATOM 2434 HD3 LYS A 289 -32.823 6.723 9.804 0.50 0.00 H +ATOM 2435 HE2 LYS A 289 -33.297 8.152 7.864 0.50 0.00 H +ATOM 2436 HE3 LYS A 289 -32.082 7.270 6.911 0.50 0.00 H +ATOM 2437 HZ1 LYS A 289 -34.297 6.430 6.522 0.50 0.00 H +ATOM 2438 HZ2 LYS A 289 -33.371 5.270 7.239 0.50 0.00 H +ATOM 2439 HZ3 LYS A 289 -34.498 6.087 8.122 0.50 0.00 H +ATOM 2440 N ILE A 290 -30.330 5.079 13.172 1.00 11.52 N +ATOM 2441 CA ILE A 290 -29.473 4.190 13.960 1.00 12.00 C +ATOM 2442 C ILE A 290 -28.613 3.392 12.986 1.00 14.10 C +ATOM 2443 O ILE A 290 -29.088 2.889 11.971 1.00 13.20 O +ATOM 2444 CB ILE A 290 -30.278 3.276 14.875 1.00 12.38 C +ATOM 2445 CG1 ILE A 290 -31.225 4.117 15.757 1.00 13.54 C +ATOM 2446 CG2 ILE A 290 -29.313 2.397 15.696 1.00 9.78 C +ATOM 2447 CD1 ILE A 290 -32.003 3.344 16.886 1.00 19.04 C +ATOM 2448 H ILE A 290 -31.290 4.816 13.001 1.00 0.00 H +ATOM 2449 HA ILE A 290 -28.816 4.803 14.577 1.00 0.00 H +ATOM 2450 HB ILE A 290 -30.887 2.621 14.251 1.00 0.00 H +ATOM 2451 HG12 ILE A 290 -30.664 4.938 16.205 1.00 0.00 H +ATOM 2452 HG13 ILE A 290 -31.940 4.638 15.121 1.00 0.00 H +ATOM 2453 HG21 ILE A 290 -29.886 1.742 16.352 1.00 0.00 H +ATOM 2454 HG22 ILE A 290 -28.706 1.794 15.021 1.00 0.00 H +ATOM 2455 HG23 ILE A 290 -28.663 3.033 16.297 1.00 0.00 H +ATOM 2456 HD11 ILE A 290 -32.634 4.042 17.436 1.00 0.00 H +ATOM 2457 HD12 ILE A 290 -32.625 2.570 16.435 1.00 0.00 H +ATOM 2458 HD13 ILE A 290 -31.290 2.884 17.570 1.00 0.00 H +ATOM 2459 N THR A 291 -27.335 3.284 13.302 1.00 15.17 N +ATOM 2460 CA THR A 291 -26.386 2.523 12.509 1.00 15.93 C +ATOM 2461 C THR A 291 -25.748 1.456 13.397 1.00 13.43 C +ATOM 2462 O THR A 291 -25.781 1.551 14.644 1.00 17.41 O +ATOM 2463 CB THR A 291 -25.285 3.446 11.901 1.00 17.45 C +ATOM 2464 CG2 THR A 291 -25.915 4.536 11.039 1.00 18.91 C +ATOM 2465 OG1 THR A 291 -24.516 4.052 12.957 1.00 23.35 O +ATOM 2466 H THR A 291 -26.979 3.743 14.128 1.00 0.00 H +ATOM 2467 HA THR A 291 -26.921 2.031 11.697 1.00 0.00 H +ATOM 2468 HB THR A 291 -24.621 2.844 11.281 1.00 0.00 H +ATOM 2469 HG1 THR A 291 -23.840 4.618 12.577 1.00 0.00 H +ATOM 2470 HG21 THR A 291 -25.131 5.170 10.624 1.00 0.00 H +ATOM 2471 HG22 THR A 291 -26.479 4.077 10.227 1.00 0.00 H +ATOM 2472 HG23 THR A 291 -26.585 5.141 11.650 1.00 0.00 H +ATOM 2473 N ASP A 292 -25.150 0.454 12.757 1.00 13.83 N +ATOM 2474 CA ASP A 292 -24.378 -0.603 13.409 1.00 14.70 C +ATOM 2475 C ASP A 292 -25.197 -1.573 14.266 1.00 14.03 C +ATOM 2476 O ASP A 292 -25.404 -1.382 15.454 1.00 16.15 O +ATOM 2477 CB ASP A 292 -23.145 -0.030 14.133 1.00 15.93 C +ATOM 2478 CG ASP A 292 -22.049 0.306 13.158 1.00 20.45 C +ATOM 2479 OD1 ASP A 292 -21.376 -0.639 12.705 1.00 22.98 O +ATOM 2480 OD2 ASP A 292 -21.928 1.485 12.776 1.00 24.12 O1- +ATOM 2481 H ASP A 292 -25.213 0.388 11.751 1.00 0.00 H +ATOM 2482 HA ASP A 292 -23.977 -1.208 12.596 1.00 0.00 H +ATOM 2483 HB2 ASP A 292 -23.431 0.868 14.681 1.00 0.00 H +ATOM 2484 HB3 ASP A 292 -22.777 -0.759 14.855 1.00 0.00 H +ATOM 2485 N PHE A 293 -25.624 -2.650 13.615 1.00 12.52 N +ATOM 2486 CA PHE A 293 -26.508 -3.655 14.184 1.00 12.90 C +ATOM 2487 C PHE A 293 -25.786 -4.952 14.554 1.00 10.51 C +ATOM 2488 O PHE A 293 -26.418 -5.938 14.865 1.00 12.08 O +ATOM 2489 CB PHE A 293 -27.652 -3.906 13.197 1.00 14.98 C +ATOM 2490 CG PHE A 293 -28.486 -2.691 12.981 1.00 13.69 C +ATOM 2491 CD1 PHE A 293 -29.516 -2.360 13.871 1.00 12.46 C +ATOM 2492 CD2 PHE A 293 -28.173 -1.790 11.962 1.00 15.90 C +ATOM 2493 CE1 PHE A 293 -30.234 -1.192 13.700 1.00 12.26 C +ATOM 2494 CE2 PHE A 293 -28.912 -0.615 11.795 1.00 14.95 C +ATOM 2495 CZ PHE A 293 -29.933 -0.326 12.663 1.00 12.37 C +ATOM 2496 H PHE A 293 -25.334 -2.811 12.661 1.00 0.00 H +ATOM 2497 HA PHE A 293 -26.939 -3.242 15.096 1.00 0.00 H +ATOM 2498 HB2 PHE A 293 -27.242 -4.238 12.243 1.00 0.00 H +ATOM 2499 HB3 PHE A 293 -28.280 -4.716 13.569 1.00 0.00 H +ATOM 2500 HD1 PHE A 293 -29.751 -3.019 14.694 1.00 0.00 H +ATOM 2501 HD2 PHE A 293 -27.352 -1.997 11.292 1.00 0.00 H +ATOM 2502 HE1 PHE A 293 -31.038 -0.948 14.379 1.00 0.00 H +ATOM 2503 HE2 PHE A 293 -28.677 0.060 10.985 1.00 0.00 H +ATOM 2504 HZ PHE A 293 -30.503 0.582 12.535 1.00 0.00 H +ATOM 2505 N GLY A 294 -24.459 -4.940 14.540 1.00 12.28 N +ATOM 2506 CA GLY A 294 -23.712 -6.136 14.811 1.00 13.03 C +ATOM 2507 C GLY A 294 -23.846 -6.759 16.191 1.00 13.09 C +ATOM 2508 O GLY A 294 -23.598 -7.950 16.329 1.00 12.59 O +ATOM 2509 H GLY A 294 -23.964 -4.083 14.337 1.00 0.00 H +ATOM 2510 HA2 GLY A 294 -23.951 -6.885 14.056 1.00 0.00 H +ATOM 2511 HA3 GLY A 294 -22.658 -5.954 14.602 1.00 0.00 H +ATOM 2512 N LEU A 295 -24.207 -5.954 17.197 0.50 12.65 N +ATOM 2513 CA LEU A 295 -24.405 -6.438 18.580 0.50 14.52 C +ATOM 2514 C LEU A 295 -25.845 -6.851 18.868 0.50 12.50 C +ATOM 2515 O LEU A 295 -26.168 -7.251 19.984 0.50 15.03 O +ATOM 2516 CB LEU A 295 -23.951 -5.393 19.606 0.50 14.27 C +ATOM 2517 CG LEU A 295 -22.568 -5.623 20.232 0.50 19.48 C +ATOM 2518 CD1 LEU A 295 -21.481 -5.750 19.177 0.50 21.23 C +ATOM 2519 CD2 LEU A 295 -22.217 -4.510 21.204 0.50 18.45 C +ATOM 2520 H LEU A 295 -24.356 -4.970 17.027 0.50 0.00 H +ATOM 2521 HA LEU A 295 -23.778 -7.320 18.711 0.50 0.00 H +ATOM 2522 HB2 LEU A 295 -23.979 -4.404 19.148 0.50 0.00 H +ATOM 2523 HB3 LEU A 295 -24.696 -5.319 20.398 0.50 0.00 H +ATOM 2524 HG LEU A 295 -22.604 -6.558 20.791 0.50 0.00 H +ATOM 2525 HD11 LEU A 295 -20.519 -5.912 19.663 0.50 0.00 H +ATOM 2526 HD12 LEU A 295 -21.704 -6.594 18.524 0.50 0.00 H +ATOM 2527 HD13 LEU A 295 -21.439 -4.835 18.586 0.50 0.00 H +ATOM 2528 HD21 LEU A 295 -21.233 -4.698 21.633 0.50 0.00 H +ATOM 2529 HD22 LEU A 295 -22.207 -3.556 20.677 0.50 0.00 H +ATOM 2530 HD23 LEU A 295 -22.959 -4.476 22.001 0.50 0.00 H +ATOM 2531 N CYS A 296 -26.709 -6.781 17.867 1.00 12.59 N +ATOM 2532 CA CYS A 296 -28.091 -7.164 18.065 1.00 12.94 C +ATOM 2533 C CYS A 296 -28.211 -8.651 18.438 1.00 14.71 C +ATOM 2534 O CYS A 296 -27.367 -9.489 18.103 1.00 13.39 O +ATOM 2535 CB CYS A 296 -28.930 -6.933 16.809 1.00 13.06 C +ATOM 2536 SG CYS A 296 -29.412 -5.233 16.494 1.00 14.39 S +ATOM 2537 H CYS A 296 -26.405 -6.459 16.959 1.00 0.00 H +ATOM 2538 HA CYS A 296 -28.506 -6.566 18.877 1.00 0.00 H +ATOM 2539 HB2 CYS A 296 -28.395 -7.322 15.942 1.00 0.00 H +ATOM 2540 HB3 CYS A 296 -29.822 -7.558 16.852 1.00 0.00 H +ATOM 2541 HG CYS A 296 -30.136 -5.175 15.373 1.00 0.00 H +ATOM 2542 N LYS A 297 -29.290 -8.955 19.150 1.00 14.01 N +ATOM 2543 CA LYS A 297 -29.731 -10.331 19.353 1.00 13.67 C +ATOM 2544 C LYS A 297 -31.130 -10.530 18.780 1.00 14.97 C +ATOM 2545 O LYS A 297 -32.056 -9.776 19.087 1.00 15.55 O +ATOM 2546 CB LYS A 297 -29.718 -10.709 20.835 1.00 16.16 C +ATOM 2547 CG LYS A 297 -29.869 -12.221 21.087 1.00 17.33 C +ATOM 2548 CD LYS A 297 -28.630 -12.975 20.713 1.00 19.68 C +ATOM 2549 CE LYS A 297 -28.760 -14.463 20.988 1.00 28.84 C +ATOM 2550 NZ LYS A 297 -27.545 -15.192 20.527 1.00 28.21 N1+ +ATOM 2551 H LYS A 297 -29.838 -8.221 19.574 1.00 0.00 H +ATOM 2552 HA LYS A 297 -29.046 -10.993 18.824 1.00 0.00 H +ATOM 2553 HB2 LYS A 297 -28.792 -10.357 21.290 1.00 0.00 H +ATOM 2554 HB3 LYS A 297 -30.515 -10.175 21.352 1.00 0.00 H +ATOM 2555 HG2 LYS A 297 -30.094 -12.392 22.140 1.00 0.00 H +ATOM 2556 HG3 LYS A 297 -30.713 -12.602 20.512 1.00 0.00 H +ATOM 2557 HD2 LYS A 297 -28.416 -12.819 19.656 1.00 0.00 H +ATOM 2558 HD3 LYS A 297 -27.781 -12.576 21.269 1.00 0.00 H +ATOM 2559 HE2 LYS A 297 -28.896 -14.624 22.057 1.00 0.00 H +ATOM 2560 HE3 LYS A 297 -29.636 -14.853 20.469 1.00 0.00 H +ATOM 2561 HZ1 LYS A 297 -27.651 -16.178 20.718 1.00 0.00 H +ATOM 2562 HZ2 LYS A 297 -27.425 -15.053 19.534 1.00 0.00 H +ATOM 2563 HZ3 LYS A 297 -26.735 -14.840 21.016 1.00 0.00 H +ATOM 2564 N GLU A 298 -31.253 -11.553 17.938 1.00 16.61 N +ATOM 2565 CA GLU A 298 -32.497 -11.899 17.286 1.00 18.23 C +ATOM 2566 C GLU A 298 -33.206 -12.949 18.135 1.00 16.83 C +ATOM 2567 O GLU A 298 -32.585 -13.604 18.970 1.00 18.20 O +ATOM 2568 CB GLU A 298 -32.209 -12.477 15.896 1.00 18.93 C +ATOM 2569 CG GLU A 298 -31.480 -11.537 14.935 1.00 21.53 C +ATOM 2570 CD GLU A 298 -30.584 -12.279 13.964 1.00 27.80 C +ATOM 2571 OE1 GLU A 298 -29.743 -13.079 14.432 1.00 29.90 O +ATOM 2572 OE2 GLU A 298 -30.711 -12.068 12.741 1.00 25.92 O1- +ATOM 2573 H GLU A 298 -30.453 -12.132 17.727 1.00 0.00 H +ATOM 2574 HA GLU A 298 -33.125 -11.013 17.194 1.00 0.00 H +ATOM 2575 HB2 GLU A 298 -31.638 -13.399 16.001 1.00 0.00 H +ATOM 2576 HB3 GLU A 298 -33.144 -12.803 15.441 1.00 0.00 H +ATOM 2577 HG2 GLU A 298 -32.211 -10.950 14.378 1.00 0.00 H +ATOM 2578 HG3 GLU A 298 -30.884 -10.825 15.507 1.00 0.00 H +ATOM 2579 N GLY A 299 -34.506 -13.082 17.926 1.00 18.52 N +ATOM 2580 CA GLY A 299 -35.311 -14.130 18.536 1.00 20.41 C +ATOM 2581 C GLY A 299 -35.666 -13.920 19.989 1.00 22.60 C +ATOM 2582 O GLY A 299 -35.906 -14.882 20.713 1.00 24.27 O +ATOM 2583 H GLY A 299 -34.988 -12.437 17.317 1.00 0.00 H +ATOM 2584 HA2 GLY A 299 -36.225 -14.264 17.958 1.00 0.00 H +ATOM 2585 HA3 GLY A 299 -34.801 -15.087 18.425 1.00 0.00 H +ATOM 2586 N ILE A 300 -35.733 -12.664 20.424 1.00 18.24 N +ATOM 2587 CA ILE A 300 -35.969 -12.333 21.818 1.00 18.95 C +ATOM 2588 C ILE A 300 -37.398 -11.856 21.910 1.00 22.68 C +ATOM 2589 O ILE A 300 -37.730 -10.734 21.531 1.00 21.83 O +ATOM 2590 CB ILE A 300 -34.954 -11.278 22.337 1.00 16.15 C +ATOM 2591 CG1 ILE A 300 -33.521 -11.788 22.166 1.00 20.57 C +ATOM 2592 CG2 ILE A 300 -35.245 -10.913 23.788 1.00 22.05 C +ATOM 2593 CD1 ILE A 300 -33.231 -13.123 22.826 1.00 24.07 C +ATOM 2594 H ILE A 300 -35.618 -11.898 19.776 1.00 0.00 H +ATOM 2595 HA ILE A 300 -35.865 -13.240 22.414 1.00 0.00 H +ATOM 2596 HB ILE A 300 -35.066 -10.377 21.734 1.00 0.00 H +ATOM 2597 HG12 ILE A 300 -33.286 -11.852 21.104 1.00 0.00 H +ATOM 2598 HG13 ILE A 300 -32.824 -11.040 22.545 1.00 0.00 H +ATOM 2599 HG21 ILE A 300 -34.521 -10.173 24.129 1.00 0.00 H +ATOM 2600 HG22 ILE A 300 -36.251 -10.499 23.864 1.00 0.00 H +ATOM 2601 HG23 ILE A 300 -35.172 -11.805 24.409 1.00 0.00 H +ATOM 2602 HD11 ILE A 300 -32.191 -13.398 22.649 1.00 0.00 H +ATOM 2603 HD12 ILE A 300 -33.408 -13.045 23.899 1.00 0.00 H +ATOM 2604 HD13 ILE A 300 -33.885 -13.887 22.406 1.00 0.00 H +ATOM 2605 N LYS A 301 -38.260 -12.752 22.361 1.00 26.35 N +ATOM 2606 CA LYS A 301 -39.681 -12.482 22.416 1.00 30.63 C +ATOM 2607 C LYS A 301 -40.043 -12.247 23.863 1.00 31.55 C +ATOM 2608 O LYS A 301 -39.618 -13.002 24.744 1.00 30.59 O +ATOM 2609 CB LYS A 301 -40.471 -13.658 21.844 1.00 32.45 C +ATOM 2610 CG LYS A 301 -41.965 -13.371 21.682 1.00 38.52 C +ATOM 2611 CD LYS A 301 -42.574 -14.148 20.512 1.00 44.85 C +ATOM 2612 CE LYS A 301 -43.802 -13.442 19.931 1.00 48.64 C +ATOM 2613 NZ LYS A 301 -43.875 -13.607 18.447 1.00 52.03 N1+ +ATOM 2614 H LYS A 301 -37.932 -13.653 22.679 1.00 0.00 H +ATOM 2615 HA LYS A 301 -39.901 -11.584 21.838 1.00 0.00 H +ATOM 2616 HB2 LYS A 301 -40.050 -13.941 20.879 1.00 0.00 H +ATOM 2617 HB3 LYS A 301 -40.338 -14.529 22.485 1.00 0.00 H +ATOM 2618 HG2 LYS A 301 -42.487 -13.634 22.602 1.00 0.00 H +ATOM 2619 HG3 LYS A 301 -42.114 -12.303 21.525 1.00 0.00 H +ATOM 2620 HD2 LYS A 301 -41.824 -14.273 19.731 1.00 0.00 H +ATOM 2621 HD3 LYS A 301 -42.855 -15.147 20.847 1.00 0.00 H +ATOM 2622 HE2 LYS A 301 -44.704 -13.850 20.386 1.00 0.00 H +ATOM 2623 HE3 LYS A 301 -43.760 -12.381 20.176 1.00 0.00 H +ATOM 2624 HZ1 LYS A 301 -44.693 -13.131 18.095 1.00 0.00 H +ATOM 2625 HZ2 LYS A 301 -43.048 -13.212 18.023 1.00 0.00 H +ATOM 2626 HZ3 LYS A 301 -43.933 -14.589 18.219 1.00 0.00 H +ATOM 2627 N ASP A 302 -40.808 -11.186 24.106 1.00 34.92 N +ATOM 2628 CA ASP A 302 -41.326 -10.886 25.435 1.00 37.04 C +ATOM 2629 C ASP A 302 -40.178 -10.884 26.452 1.00 36.69 C +ATOM 2630 O ASP A 302 -39.171 -10.207 26.223 1.00 37.09 O +ATOM 2631 CB ASP A 302 -42.449 -11.880 25.796 1.00 39.71 C +ATOM 2632 CG ASP A 302 -43.618 -11.844 24.799 1.00 45.74 C +ATOM 2633 OD1 ASP A 302 -43.872 -10.774 24.196 1.00 48.52 O +ATOM 2634 OD2 ASP A 302 -44.286 -12.890 24.619 1.00 50.90 O1- +ATOM 2635 H ASP A 302 -41.049 -10.555 23.355 1.00 0.00 H +ATOM 2636 HA ASP A 302 -41.757 -9.885 25.411 1.00 0.00 H +ATOM 2637 HB2 ASP A 302 -42.040 -12.889 25.838 1.00 0.00 H +ATOM 2638 HB3 ASP A 302 -42.820 -11.660 26.797 1.00 0.00 H +ATOM 2639 N GLY A 303 -40.303 -11.655 27.535 1.00 34.87 N +ATOM 2640 CA GLY A 303 -39.298 -11.686 28.603 1.00 33.04 C +ATOM 2641 C GLY A 303 -38.134 -12.662 28.455 1.00 31.50 C +ATOM 2642 O GLY A 303 -37.427 -12.930 29.431 1.00 33.46 O +ATOM 2643 H GLY A 303 -41.114 -12.248 27.642 1.00 0.00 H +ATOM 2644 HA2 GLY A 303 -38.905 -10.681 28.753 1.00 0.00 H +ATOM 2645 HA3 GLY A 303 -39.795 -11.864 29.557 1.00 0.00 H +ATOM 2646 N ALA A 304 -37.928 -13.191 27.249 1.00 28.91 N +ATOM 2647 CA ALA A 304 -36.759 -14.017 26.934 1.00 26.98 C +ATOM 2648 C ALA A 304 -35.427 -13.330 27.300 1.00 27.18 C +ATOM 2649 O ALA A 304 -35.290 -12.107 27.179 1.00 25.98 O +ATOM 2650 CB ALA A 304 -36.768 -14.393 25.450 1.00 25.56 C +ATOM 2651 H ALA A 304 -38.593 -13.029 26.506 1.00 0.00 H +ATOM 2652 HA ALA A 304 -36.832 -14.937 27.514 1.00 0.00 H +ATOM 2653 HB1 ALA A 304 -35.896 -15.007 25.225 1.00 0.00 H +ATOM 2654 HB2 ALA A 304 -37.675 -14.954 25.222 1.00 0.00 H +ATOM 2655 HB3 ALA A 304 -36.740 -13.487 24.845 1.00 0.00 H +ATOM 2656 N THR A 305 -34.455 -14.125 27.740 1.00 26.04 N +ATOM 2657 CA THR A 305 -33.186 -13.596 28.228 1.00 25.57 C +ATOM 2658 C THR A 305 -32.030 -13.843 27.274 1.00 23.54 C +ATOM 2659 O THR A 305 -32.116 -14.675 26.374 1.00 24.33 O +ATOM 2660 CB THR A 305 -32.834 -14.150 29.621 1.00 28.24 C +ATOM 2661 CG2 THR A 305 -33.939 -13.842 30.604 1.00 31.58 C +ATOM 2662 OG1 THR A 305 -32.636 -15.563 29.542 1.00 32.48 O +ATOM 2663 H THR A 305 -34.584 -15.127 27.743 1.00 0.00 H +ATOM 2664 HA THR A 305 -33.301 -12.517 28.327 1.00 0.00 H +ATOM 2665 HB THR A 305 -31.912 -13.682 29.966 1.00 0.00 H +ATOM 2666 HG1 THR A 305 -32.417 -15.905 30.412 1.00 0.00 H +ATOM 2667 HG21 THR A 305 -33.676 -14.240 31.584 1.00 0.00 H +ATOM 2668 HG22 THR A 305 -34.073 -12.763 30.675 1.00 0.00 H +ATOM 2669 HG23 THR A 305 -34.867 -14.301 30.264 1.00 0.00 H +ATOM 2670 N MET A 306 -30.955 -13.095 27.501 1.00 20.02 N +ATOM 2671 CA MET A 306 -29.736 -13.148 26.720 1.00 19.89 C +ATOM 2672 C MET A 306 -28.596 -13.341 27.695 1.00 18.80 C +ATOM 2673 O MET A 306 -28.716 -12.974 28.864 1.00 18.00 O +ATOM 2674 CB MET A 306 -29.517 -11.839 25.955 1.00 19.35 C +ATOM 2675 CG MET A 306 -30.465 -11.617 24.813 1.00 23.13 C +ATOM 2676 SD MET A 306 -30.663 -9.873 24.445 1.00 19.56 S +ATOM 2677 CE MET A 306 -31.643 -9.384 25.851 1.00 23.96 C +ATOM 2678 H MET A 306 -30.953 -12.432 28.263 1.00 0.00 H +ATOM 2679 HA MET A 306 -29.776 -13.985 26.023 1.00 0.00 H +ATOM 2680 HB2 MET A 306 -29.584 -11.000 26.648 1.00 0.00 H +ATOM 2681 HB3 MET A 306 -28.492 -11.804 25.585 1.00 0.00 H +ATOM 2682 HG2 MET A 306 -30.094 -12.135 23.928 1.00 0.00 H +ATOM 2683 HG3 MET A 306 -31.436 -12.048 25.058 1.00 0.00 H +ATOM 2684 HE1 MET A 306 -31.863 -8.318 25.788 1.00 0.00 H +ATOM 2685 HE2 MET A 306 -32.576 -9.947 25.858 1.00 0.00 H +ATOM 2686 HE3 MET A 306 -31.090 -9.587 26.768 1.00 0.00 H +ATOM 2687 N LYS A 307 -27.501 -13.906 27.193 1.00 19.89 N +ATOM 2688 CA LYS A 307 -26.345 -14.267 28.003 1.00 21.60 C +ATOM 2689 C LYS A 307 -25.074 -13.487 27.713 1.00 19.91 C +ATOM 2690 O LYS A 307 -24.265 -13.306 28.608 1.00 20.53 O +ATOM 2691 CB LYS A 307 -26.022 -15.744 27.775 1.00 23.59 C +ATOM 2692 CG LYS A 307 -27.037 -16.688 28.337 1.00 33.04 C +ATOM 2693 CD LYS A 307 -26.592 -18.141 28.152 1.00 40.42 C +ATOM 2694 CE LYS A 307 -26.839 -18.969 29.414 1.00 47.02 C +ATOM 2695 NZ LYS A 307 -25.858 -18.644 30.478 1.00 46.57 N1+ +ATOM 2696 H LYS A 307 -27.443 -14.105 26.204 1.00 0.00 H +ATOM 2697 HA LYS A 307 -26.603 -14.128 29.053 1.00 0.00 H +ATOM 2698 HB2 LYS A 307 -25.910 -15.928 26.707 1.00 0.00 H +ATOM 2699 HB3 LYS A 307 -25.044 -15.970 28.200 1.00 0.00 H +ATOM 2700 HG2 LYS A 307 -27.175 -16.483 29.399 1.00 0.00 H +ATOM 2701 HG3 LYS A 307 -27.992 -16.534 27.835 1.00 0.00 H +ATOM 2702 HD2 LYS A 307 -27.135 -18.583 27.316 1.00 0.00 H +ATOM 2703 HD3 LYS A 307 -25.531 -18.167 27.903 1.00 0.00 H +ATOM 2704 HE2 LYS A 307 -27.848 -18.779 29.781 1.00 0.00 H +ATOM 2705 HE3 LYS A 307 -26.772 -20.029 29.171 1.00 0.00 H +ATOM 2706 HZ1 LYS A 307 -26.048 -19.206 31.295 1.00 0.00 H +ATOM 2707 HZ2 LYS A 307 -24.924 -18.838 30.146 1.00 0.00 H +ATOM 2708 HZ3 LYS A 307 -25.933 -17.666 30.718 1.00 0.00 H +ATOM 2709 N TPO A 308 -24.885 -13.030 26.476 1.00 18.61 N +ATOM 2710 CA TPO A 308 -23.578 -12.577 26.055 1.00 17.89 C +ATOM 2711 C TPO A 308 -23.189 -11.261 26.667 1.00 17.37 C +ATOM 2712 O TPO A 308 -23.956 -10.290 26.622 1.00 18.67 O +ATOM 2713 CB TPO A 308 -23.483 -12.409 24.532 1.00 18.37 C +ATOM 2714 CG2 TPO A 308 -22.058 -12.125 24.099 1.00 20.17 C +ATOM 2715 OG1 TPO A 308 -23.924 -13.590 23.861 1.00 22.97 O +ATOM 2716 P TPO A 308 -25.190 -13.480 22.866 1.00 22.95 P +ATOM 2717 O1P TPO A 308 -24.722 -12.515 21.783 1.00 21.38 O +ATOM 2718 O2P TPO A 308 -26.345 -13.093 23.733 1.00 21.90 O1- +ATOM 2719 O3P TPO A 308 -25.301 -14.894 22.328 1.00 28.01 O1- +ATOM 2720 H TPO A 308 -25.657 -12.998 25.826 1.00 0.00 H +ATOM 2721 HA TPO A 308 -22.845 -13.324 26.361 1.00 0.00 H +ATOM 2722 HB TPO A 308 -24.116 -11.575 24.229 1.00 0.00 H +ATOM 2723 HG21 TPO A 308 -22.023 -12.011 23.016 1.00 0.00 H +ATOM 2724 HG22 TPO A 308 -21.710 -11.207 24.572 1.00 0.00 H +ATOM 2725 HG23 TPO A 308 -21.415 -12.953 24.398 1.00 0.00 H +ATOM 2726 N PHE A 309 -21.978 -11.227 27.220 1.00 16.13 N +ATOM 2727 CA PHE A 309 -21.366 -9.996 27.688 1.00 16.54 C +ATOM 2728 C PHE A 309 -20.878 -9.171 26.500 1.00 16.57 C +ATOM 2729 O PHE A 309 -19.880 -9.494 25.879 1.00 20.23 O +ATOM 2730 CB PHE A 309 -20.181 -10.267 28.628 1.00 17.61 C +ATOM 2731 CG PHE A 309 -19.580 -9.016 29.203 1.00 16.28 C +ATOM 2732 CD1 PHE A 309 -20.310 -8.228 30.075 1.00 20.16 C +ATOM 2733 CD2 PHE A 309 -18.293 -8.619 28.879 1.00 18.00 C +ATOM 2734 CE1 PHE A 309 -19.779 -7.075 30.615 1.00 15.31 C +ATOM 2735 CE2 PHE A 309 -17.746 -7.466 29.425 1.00 19.86 C +ATOM 2736 CZ PHE A 309 -18.496 -6.684 30.281 1.00 18.37 C +ATOM 2737 H PHE A 309 -21.448 -12.080 27.327 1.00 0.00 H +ATOM 2738 HA PHE A 309 -22.115 -9.418 28.229 1.00 0.00 H +ATOM 2739 HB2 PHE A 309 -20.504 -10.919 29.439 1.00 0.00 H +ATOM 2740 HB3 PHE A 309 -19.413 -10.824 28.091 1.00 0.00 H +ATOM 2741 HD1 PHE A 309 -21.316 -8.511 30.345 1.00 0.00 H +ATOM 2742 HD2 PHE A 309 -17.702 -9.209 28.194 1.00 0.00 H +ATOM 2743 HE1 PHE A 309 -20.366 -6.479 31.298 1.00 0.00 H +ATOM 2744 HE2 PHE A 309 -16.734 -7.180 29.180 1.00 0.00 H +ATOM 2745 HZ PHE A 309 -18.086 -5.772 30.689 1.00 0.00 H +ATOM 2746 N CYS A 310 -21.584 -8.088 26.204 1.00 17.86 N +ATOM 2747 CA CYS A 310 -21.219 -7.228 25.085 1.00 17.82 C +ATOM 2748 C CYS A 310 -21.812 -5.851 25.274 1.00 18.31 C +ATOM 2749 O CYS A 310 -22.688 -5.652 26.112 1.00 17.12 O +ATOM 2750 CB CYS A 310 -21.716 -7.818 23.761 1.00 19.85 C +ATOM 2751 SG CYS A 310 -23.499 -7.893 23.581 1.00 21.13 S +ATOM 2752 H CYS A 310 -22.392 -7.845 26.758 1.00 0.00 H +ATOM 2753 HA CYS A 310 -20.133 -7.142 25.047 1.00 0.00 H +ATOM 2754 HB2 CYS A 310 -21.294 -7.250 22.932 1.00 0.00 H +ATOM 2755 HB3 CYS A 310 -21.298 -8.817 23.632 1.00 0.00 H +ATOM 2756 HG CYS A 310 -23.805 -8.423 22.393 1.00 0.00 H +ATOM 2757 N GLY A 311 -21.311 -4.909 24.482 1.00 18.85 N +ATOM 2758 CA GLY A 311 -21.703 -3.495 24.561 1.00 18.80 C +ATOM 2759 C GLY A 311 -20.464 -2.614 24.645 1.00 21.05 C +ATOM 2760 O GLY A 311 -19.341 -3.090 24.517 1.00 26.81 O +ATOM 2761 H GLY A 311 -20.624 -5.151 23.782 1.00 0.00 H +ATOM 2762 HA2 GLY A 311 -22.279 -3.228 23.675 1.00 0.00 H +ATOM 2763 HA3 GLY A 311 -22.321 -3.338 25.445 1.00 0.00 H +ATOM 2764 N THR A 312 -20.656 -1.322 24.864 1.00 18.47 N +ATOM 2765 CA THR A 312 -19.558 -0.384 25.040 1.00 16.38 C +ATOM 2766 C THR A 312 -19.445 -0.074 26.536 1.00 17.02 C +ATOM 2767 O THR A 312 -20.459 0.192 27.170 1.00 16.42 O +ATOM 2768 CB THR A 312 -19.833 0.888 24.213 1.00 16.92 C +ATOM 2769 CG2 THR A 312 -18.740 1.916 24.368 1.00 20.44 C +ATOM 2770 OG1 THR A 312 -19.972 0.527 22.822 1.00 18.13 O +ATOM 2771 H THR A 312 -21.595 -0.952 24.915 1.00 0.00 H +ATOM 2772 HA THR A 312 -18.632 -0.844 24.696 1.00 0.00 H +ATOM 2773 HB THR A 312 -20.771 1.326 24.553 1.00 0.00 H +ATOM 2774 HG1 THR A 312 -20.143 1.315 22.302 1.00 0.00 H +ATOM 2775 HG21 THR A 312 -18.978 2.794 23.767 1.00 0.00 H +ATOM 2776 HG22 THR A 312 -18.658 2.205 25.416 1.00 0.00 H +ATOM 2777 HG23 THR A 312 -17.793 1.493 24.033 1.00 0.00 H +ATOM 2778 N PRO A 313 -18.226 -0.147 27.106 1.00 18.40 N +ATOM 2779 CA PRO A 313 -18.054 -0.112 28.574 1.00 18.80 C +ATOM 2780 C PRO A 313 -18.841 0.962 29.322 1.00 17.55 C +ATOM 2781 O PRO A 313 -19.545 0.646 30.277 1.00 16.11 O +ATOM 2782 CB PRO A 313 -16.554 0.098 28.738 1.00 19.22 C +ATOM 2783 CG PRO A 313 -15.989 -0.619 27.608 1.00 20.91 C +ATOM 2784 CD PRO A 313 -16.921 -0.326 26.439 1.00 21.34 C +ATOM 2785 HA PRO A 313 -18.318 -1.088 28.981 1.00 0.00 H +ATOM 2786 HB2 PRO A 313 -16.326 1.160 28.641 1.00 0.00 H +ATOM 2787 HB3 PRO A 313 -16.224 -0.372 29.664 1.00 0.00 H +ATOM 2788 HG2 PRO A 313 -14.997 -0.223 27.388 1.00 0.00 H +ATOM 2789 HG3 PRO A 313 -15.997 -1.689 27.818 1.00 0.00 H +ATOM 2790 HD2 PRO A 313 -16.625 0.613 25.971 1.00 0.00 H +ATOM 2791 HD3 PRO A 313 -16.967 -1.200 25.789 1.00 0.00 H +ATOM 2792 N GLU A 314 -18.766 2.207 28.866 1.00 17.20 N +ATOM 2793 CA GLU A 314 -19.422 3.328 29.567 1.00 15.85 C +ATOM 2794 C GLU A 314 -20.970 3.241 29.553 1.00 15.00 C +ATOM 2795 O GLU A 314 -21.647 3.869 30.375 1.00 15.62 O +ATOM 2796 CB GLU A 314 -18.953 4.673 28.998 1.00 17.28 C +ATOM 2797 CG GLU A 314 -17.483 4.983 29.236 1.00 20.79 C +ATOM 2798 CD GLU A 314 -16.529 4.191 28.336 1.00 24.40 C +ATOM 2799 OE1 GLU A 314 -16.955 3.684 27.267 1.00 19.59 O +ATOM 2800 OE2 GLU A 314 -15.340 4.084 28.699 1.00 32.99 O1- +ATOM 2801 H GLU A 314 -18.251 2.405 28.020 1.00 0.00 H +ATOM 2802 HA GLU A 314 -19.105 3.289 30.609 1.00 0.00 H +ATOM 2803 HB2 GLU A 314 -19.160 4.704 27.928 1.00 0.00 H +ATOM 2804 HB3 GLU A 314 -19.563 5.474 29.416 1.00 0.00 H +ATOM 2805 HG2 GLU A 314 -17.311 6.050 29.095 1.00 0.00 H +ATOM 2806 HG3 GLU A 314 -17.238 4.791 30.281 1.00 0.00 H +ATOM 2807 N TYR A 315 -21.507 2.438 28.629 1.00 12.44 N +ATOM 2808 CA TYR A 315 -22.957 2.301 28.404 1.00 11.81 C +ATOM 2809 C TYR A 315 -23.527 1.015 28.985 1.00 14.28 C +ATOM 2810 O TYR A 315 -24.730 0.798 28.930 1.00 14.44 O +ATOM 2811 CB TYR A 315 -23.242 2.336 26.889 1.00 12.51 C +ATOM 2812 CG TYR A 315 -23.010 3.686 26.238 1.00 11.59 C +ATOM 2813 CD1 TYR A 315 -21.770 4.062 25.761 1.00 12.64 C +ATOM 2814 CD2 TYR A 315 -24.068 4.577 26.085 1.00 15.37 C +ATOM 2815 CE1 TYR A 315 -21.579 5.317 25.176 1.00 12.78 C +ATOM 2816 CE2 TYR A 315 -23.907 5.798 25.510 1.00 12.89 C +ATOM 2817 CZ TYR A 315 -22.665 6.185 25.037 1.00 13.26 C +ATOM 2818 OH TYR A 315 -22.541 7.429 24.428 1.00 16.71 O +ATOM 2819 H TYR A 315 -20.909 1.880 28.036 1.00 0.00 H +ATOM 2820 HA TYR A 315 -23.462 3.146 28.871 1.00 0.00 H +ATOM 2821 HB2 TYR A 315 -22.631 1.584 26.389 1.00 0.00 H +ATOM 2822 HB3 TYR A 315 -24.269 2.019 26.707 1.00 0.00 H +ATOM 2823 HD1 TYR A 315 -20.933 3.383 25.838 1.00 0.00 H +ATOM 2824 HD2 TYR A 315 -25.056 4.307 26.428 1.00 0.00 H +ATOM 2825 HE1 TYR A 315 -20.597 5.610 24.835 1.00 0.00 H +ATOM 2826 HE2 TYR A 315 -24.749 6.468 25.421 1.00 0.00 H +ATOM 2827 HH TYR A 315 -23.392 7.873 24.429 1.00 0.00 H +ATOM 2828 N LEU A 316 -22.695 0.140 29.539 1.00 14.12 N +ATOM 2829 CA LEU A 316 -23.184 -1.176 29.991 1.00 15.06 C +ATOM 2830 C LEU A 316 -24.187 -1.070 31.137 1.00 14.43 C +ATOM 2831 O LEU A 316 -23.952 -0.348 32.117 1.00 15.30 O +ATOM 2832 CB LEU A 316 -22.014 -2.070 30.410 1.00 15.86 C +ATOM 2833 CG LEU A 316 -21.055 -2.467 29.287 1.00 16.71 C +ATOM 2834 CD1 LEU A 316 -19.828 -3.161 29.873 1.00 18.52 C +ATOM 2835 CD2 LEU A 316 -21.746 -3.340 28.249 1.00 18.70 C +ATOM 2836 H LEU A 316 -21.719 0.374 29.653 1.00 0.00 H +ATOM 2837 HA LEU A 316 -23.686 -1.654 29.150 1.00 0.00 H +ATOM 2838 HB2 LEU A 316 -21.453 -1.580 31.206 1.00 0.00 H +ATOM 2839 HB3 LEU A 316 -22.401 -2.970 30.888 1.00 0.00 H +ATOM 2840 HG LEU A 316 -20.721 -1.555 28.791 1.00 0.00 H +ATOM 2841 HD11 LEU A 316 -19.149 -3.441 29.068 1.00 0.00 H +ATOM 2842 HD12 LEU A 316 -19.319 -2.483 30.558 1.00 0.00 H +ATOM 2843 HD13 LEU A 316 -20.139 -4.055 30.413 1.00 0.00 H +ATOM 2844 HD21 LEU A 316 -21.036 -3.604 27.465 1.00 0.00 H +ATOM 2845 HD22 LEU A 316 -22.115 -4.248 28.725 1.00 0.00 H +ATOM 2846 HD23 LEU A 316 -22.582 -2.794 27.812 1.00 0.00 H +ATOM 2847 N ALA A 317 -25.280 -1.817 31.017 1.00 12.78 N +ATOM 2848 CA ALA A 317 -26.297 -1.885 32.054 1.00 14.65 C +ATOM 2849 C ALA A 317 -25.797 -2.696 33.253 1.00 12.99 C +ATOM 2850 O ALA A 317 -24.963 -3.591 33.088 1.00 14.71 O +ATOM 2851 CB ALA A 317 -27.600 -2.477 31.503 1.00 13.59 C +ATOM 2852 H ALA A 317 -25.428 -2.365 30.182 1.00 0.00 H +ATOM 2853 HA ALA A 317 -26.503 -0.870 32.394 1.00 0.00 H +ATOM 2854 HB1 ALA A 317 -28.346 -2.518 32.297 1.00 0.00 H +ATOM 2855 HB2 ALA A 317 -27.969 -1.851 30.691 1.00 0.00 H +ATOM 2856 HB3 ALA A 317 -27.413 -3.484 31.129 1.00 0.00 H +ATOM 2857 N PRO A 318 -26.274 -2.355 34.471 1.00 13.23 N +ATOM 2858 CA PRO A 318 -25.867 -3.125 35.643 1.00 16.75 C +ATOM 2859 C PRO A 318 -26.066 -4.640 35.477 1.00 15.26 C +ATOM 2860 O PRO A 318 -25.171 -5.398 35.824 1.00 13.83 O +ATOM 2861 CB PRO A 318 -26.774 -2.564 36.739 1.00 17.27 C +ATOM 2862 CG PRO A 318 -26.973 -1.185 36.359 1.00 15.36 C +ATOM 2863 CD PRO A 318 -27.195 -1.267 34.861 1.00 14.60 C +ATOM 2864 HA PRO A 318 -24.825 -2.913 35.881 1.00 0.00 H +ATOM 2865 HB2 PRO A 318 -27.731 -3.086 36.717 1.00 0.00 H +ATOM 2866 HB3 PRO A 318 -26.251 -2.603 37.695 1.00 0.00 H +ATOM 2867 HG2 PRO A 318 -27.877 -0.807 36.837 1.00 0.00 H +ATOM 2868 HG3 PRO A 318 -26.061 -0.622 36.557 1.00 0.00 H +ATOM 2869 HD2 PRO A 318 -28.221 -1.579 34.667 1.00 0.00 H +ATOM 2870 HD3 PRO A 318 -26.867 -0.336 34.398 1.00 0.00 H +ATOM 2871 N GLU A 319 -27.205 -5.054 34.938 1.00 16.31 N +ATOM 2872 CA GLU A 319 -27.487 -6.486 34.742 1.00 15.26 C +ATOM 2873 C GLU A 319 -26.553 -7.164 33.728 1.00 16.19 C +ATOM 2874 O GLU A 319 -26.296 -8.359 33.817 1.00 16.07 O +ATOM 2875 CB GLU A 319 -28.963 -6.754 34.426 1.00 14.04 C +ATOM 2876 CG GLU A 319 -29.432 -6.241 33.079 1.00 13.34 C +ATOM 2877 CD GLU A 319 -30.000 -4.836 33.122 1.00 15.33 C +ATOM 2878 OE1 GLU A 319 -29.575 -3.976 33.945 1.00 16.51 O +ATOM 2879 OE2 GLU A 319 -30.893 -4.585 32.303 1.00 19.99 O1- +ATOM 2880 H GLU A 319 -27.902 -4.381 34.652 1.00 0.00 H +ATOM 2881 HA GLU A 319 -27.291 -6.966 35.701 1.00 0.00 H +ATOM 2882 HB2 GLU A 319 -29.157 -7.825 34.492 1.00 0.00 H +ATOM 2883 HB3 GLU A 319 -29.584 -6.324 35.212 1.00 0.00 H +ATOM 2884 HG2 GLU A 319 -28.604 -6.275 32.371 1.00 0.00 H +ATOM 2885 HG3 GLU A 319 -30.181 -6.921 32.674 1.00 0.00 H +ATOM 2886 N VAL A 320 -26.019 -6.408 32.778 1.00 14.15 N +ATOM 2887 CA VAL A 320 -25.008 -6.940 31.864 1.00 14.72 C +ATOM 2888 C VAL A 320 -23.688 -7.184 32.633 1.00 16.78 C +ATOM 2889 O VAL A 320 -23.019 -8.216 32.464 1.00 15.00 O +ATOM 2890 CB VAL A 320 -24.820 -6.020 30.604 1.00 15.32 C +ATOM 2891 CG1 VAL A 320 -23.720 -6.537 29.726 1.00 17.73 C +ATOM 2892 CG2 VAL A 320 -26.155 -5.903 29.829 1.00 13.64 C +ATOM 2893 H VAL A 320 -26.309 -5.446 32.675 1.00 0.00 H +ATOM 2894 HA VAL A 320 -25.364 -7.908 31.511 1.00 0.00 H +ATOM 2895 HB VAL A 320 -24.540 -5.025 30.949 1.00 0.00 H +ATOM 2896 HG11 VAL A 320 -23.608 -5.884 28.860 1.00 0.00 H +ATOM 2897 HG12 VAL A 320 -22.786 -6.558 30.287 1.00 0.00 H +ATOM 2898 HG13 VAL A 320 -23.965 -7.545 29.391 1.00 0.00 H +ATOM 2899 HG21 VAL A 320 -26.015 -5.264 28.957 1.00 0.00 H +ATOM 2900 HG22 VAL A 320 -26.475 -6.893 29.505 1.00 0.00 H +ATOM 2901 HG23 VAL A 320 -26.916 -5.470 30.478 1.00 0.00 H +ATOM 2902 N LEU A 321 -23.322 -6.235 33.487 1.00 17.56 N +ATOM 2903 CA LEU A 321 -22.098 -6.332 34.285 1.00 15.87 C +ATOM 2904 C LEU A 321 -22.190 -7.457 35.315 1.00 16.65 C +ATOM 2905 O LEU A 321 -21.202 -8.105 35.616 1.00 16.91 O +ATOM 2906 CB LEU A 321 -21.790 -4.998 34.967 1.00 18.27 C +ATOM 2907 CG LEU A 321 -21.264 -3.906 34.030 1.00 16.30 C +ATOM 2908 CD1 LEU A 321 -21.411 -2.531 34.701 1.00 18.55 C +ATOM 2909 CD2 LEU A 321 -19.833 -4.171 33.615 1.00 20.31 C +ATOM 2910 H LEU A 321 -23.895 -5.412 33.603 1.00 0.00 H +ATOM 2911 HA LEU A 321 -21.274 -6.562 33.609 1.00 0.00 H +ATOM 2912 HB2 LEU A 321 -22.684 -4.637 35.475 1.00 0.00 H +ATOM 2913 HB3 LEU A 321 -21.072 -5.161 35.770 1.00 0.00 H +ATOM 2914 HG LEU A 321 -21.881 -3.909 33.131 1.00 0.00 H +ATOM 2915 HD11 LEU A 321 -21.036 -1.757 34.031 1.00 0.00 H +ATOM 2916 HD12 LEU A 321 -22.462 -2.343 34.919 1.00 0.00 H +ATOM 2917 HD13 LEU A 321 -20.839 -2.516 35.629 1.00 0.00 H +ATOM 2918 HD21 LEU A 321 -19.494 -3.376 32.951 1.00 0.00 H +ATOM 2919 HD22 LEU A 321 -19.197 -4.201 34.500 1.00 0.00 H +ATOM 2920 HD23 LEU A 321 -19.776 -5.127 33.095 1.00 0.00 H +ATOM 2921 N GLU A 322 -23.383 -7.738 35.793 1.00 16.63 N +ATOM 2922 CA GLU A 322 -23.580 -8.846 36.735 1.00 18.04 C +ATOM 2923 C GLU A 322 -23.316 -10.204 36.065 1.00 18.87 C +ATOM 2924 O GLU A 322 -22.928 -11.155 36.730 1.00 18.30 O +ATOM 2925 CB GLU A 322 -24.980 -8.800 37.331 1.00 18.28 C +ATOM 2926 CG GLU A 322 -25.194 -7.664 38.312 1.00 20.17 C +ATOM 2927 CD GLU A 322 -24.512 -7.849 39.670 1.00 31.45 C +ATOM 2928 OE1 GLU A 322 -23.745 -8.821 39.889 1.00 29.74 O +ATOM 2929 OE2 GLU A 322 -24.741 -6.986 40.533 1.00 33.58 O1- +ATOM 2930 H GLU A 322 -24.182 -7.187 35.513 1.00 0.00 H +ATOM 2931 HA GLU A 322 -22.864 -8.727 37.548 1.00 0.00 H +ATOM 2932 HB2 GLU A 322 -25.713 -8.726 36.527 1.00 0.00 H +ATOM 2933 HB3 GLU A 322 -25.194 -9.748 37.824 1.00 0.00 H +ATOM 2934 HG2 GLU A 322 -24.855 -6.731 37.862 1.00 0.00 H +ATOM 2935 HG3 GLU A 322 -26.263 -7.514 38.463 1.00 0.00 H +ATOM 2936 N ASP A 323 -23.538 -10.271 34.750 1.00 17.92 N +ATOM 2937 CA ASP A 323 -23.232 -11.445 33.921 1.00 18.22 C +ATOM 2938 C ASP A 323 -23.985 -12.703 34.380 1.00 16.73 C +ATOM 2939 O ASP A 323 -23.429 -13.806 34.422 1.00 19.93 O +ATOM 2940 CB ASP A 323 -21.718 -11.687 33.864 1.00 17.42 C +ATOM 2941 CG ASP A 323 -21.259 -12.333 32.565 1.00 22.36 C +ATOM 2942 OD1 ASP A 323 -22.074 -12.562 31.649 1.00 24.56 O +ATOM 2943 OD2 ASP A 323 -20.053 -12.621 32.472 1.00 26.61 O1- +ATOM 2944 H ASP A 323 -23.941 -9.482 34.265 1.00 0.00 H +ATOM 2945 HA ASP A 323 -23.563 -11.221 32.907 1.00 0.00 H +ATOM 2946 HB2 ASP A 323 -21.195 -10.741 34.002 1.00 0.00 H +ATOM 2947 HB3 ASP A 323 -21.420 -12.313 34.705 1.00 0.00 H +ATOM 2948 N ASN A 324 -25.262 -12.523 34.670 1.00 17.93 N +ATOM 2949 CA ASN A 324 -26.143 -13.624 35.058 1.00 18.07 C +ATOM 2950 C ASN A 324 -27.482 -13.622 34.327 1.00 19.09 C +ATOM 2951 O ASN A 324 -28.511 -13.957 34.912 1.00 21.96 O +ATOM 2952 CB ASN A 324 -26.369 -13.579 36.571 1.00 17.34 C +ATOM 2953 CG ASN A 324 -26.905 -14.903 37.134 1.00 22.79 C +ATOM 2954 ND2 ASN A 324 -27.793 -14.807 38.104 1.00 22.07 N +ATOM 2955 OD1 ASN A 324 -26.514 -15.983 36.699 1.00 28.08 O +ATOM 2956 H ASN A 324 -25.664 -11.597 34.628 1.00 0.00 H +ATOM 2957 HA ASN A 324 -25.634 -14.559 34.823 1.00 0.00 H +ATOM 2958 HB2 ASN A 324 -25.433 -13.326 37.070 1.00 0.00 H +ATOM 2959 HB3 ASN A 324 -27.066 -12.776 36.809 1.00 0.00 H +ATOM 2960 HD21 ASN A 324 -28.083 -13.898 38.435 1.00 0.00 H +ATOM 2961 HD22 ASN A 324 -28.183 -15.643 38.516 1.00 0.00 H +ATOM 2962 N ASP A 325 -27.427 -13.250 33.042 1.00 19.68 N +ATOM 2963 CA ASP A 325 -28.579 -13.179 32.120 1.00 21.14 C +ATOM 2964 C ASP A 325 -29.300 -11.841 32.223 1.00 18.59 C +ATOM 2965 O ASP A 325 -29.393 -11.252 33.292 1.00 19.19 O +ATOM 2966 CB ASP A 325 -29.615 -14.301 32.324 1.00 23.01 C +ATOM 2967 CG ASP A 325 -29.075 -15.683 31.994 1.00 27.72 C +ATOM 2968 OD1 ASP A 325 -28.046 -15.806 31.307 1.00 32.50 O +ATOM 2969 OD2 ASP A 325 -29.722 -16.656 32.414 1.00 39.14 O1- +ATOM 2970 H ASP A 325 -26.543 -12.988 32.629 1.00 0.00 H +ATOM 2971 HA ASP A 325 -28.194 -13.268 31.104 1.00 0.00 H +ATOM 2972 HB2 ASP A 325 -29.966 -14.286 33.356 1.00 0.00 H +ATOM 2973 HB3 ASP A 325 -30.493 -14.099 31.710 1.00 0.00 H +ATOM 2974 N TYR A 326 -29.837 -11.387 31.098 1.00 15.74 N +ATOM 2975 CA TYR A 326 -30.533 -10.103 31.039 1.00 15.64 C +ATOM 2976 C TYR A 326 -31.553 -10.125 29.898 1.00 16.39 C +ATOM 2977 O TYR A 326 -31.521 -10.989 29.044 1.00 17.10 O +ATOM 2978 CB TYR A 326 -29.528 -8.945 30.894 1.00 15.97 C +ATOM 2979 CG TYR A 326 -28.651 -9.047 29.685 1.00 14.47 C +ATOM 2980 CD1 TYR A 326 -27.439 -9.714 29.722 1.00 13.36 C +ATOM 2981 CD2 TYR A 326 -29.065 -8.514 28.456 1.00 14.83 C +ATOM 2982 CE1 TYR A 326 -26.654 -9.820 28.601 1.00 13.92 C +ATOM 2983 CE2 TYR A 326 -28.290 -8.630 27.314 1.00 17.98 C +ATOM 2984 CZ TYR A 326 -27.084 -9.277 27.385 1.00 14.23 C +ATOM 2985 OH TYR A 326 -26.266 -9.392 26.282 1.00 18.00 O +ATOM 2986 H TYR A 326 -29.771 -11.933 30.251 1.00 0.00 H +ATOM 2987 HA TYR A 326 -31.074 -9.967 31.975 1.00 0.00 H +ATOM 2988 HB2 TYR A 326 -30.068 -7.999 30.870 1.00 0.00 H +ATOM 2989 HB3 TYR A 326 -28.906 -8.892 31.788 1.00 0.00 H +ATOM 2990 HD1 TYR A 326 -27.097 -10.162 30.643 1.00 0.00 H +ATOM 2991 HD2 TYR A 326 -30.010 -7.997 28.383 1.00 0.00 H +ATOM 2992 HE1 TYR A 326 -25.700 -10.324 28.655 1.00 0.00 H +ATOM 2993 HE2 TYR A 326 -28.638 -8.213 26.381 1.00 0.00 H +ATOM 2994 HH TYR A 326 -26.687 -8.977 25.526 1.00 0.00 H +ATOM 2995 N GLY A 327 -32.460 -9.163 29.916 1.00 18.53 N +ATOM 2996 CA GLY A 327 -33.522 -9.067 28.938 1.00 18.88 C +ATOM 2997 C GLY A 327 -33.492 -7.745 28.186 1.00 16.73 C +ATOM 2998 O GLY A 327 -32.525 -6.973 28.241 1.00 16.04 O +ATOM 2999 H GLY A 327 -32.430 -8.454 30.634 1.00 0.00 H +ATOM 3000 HA2 GLY A 327 -33.437 -9.890 28.228 1.00 0.00 H +ATOM 3001 HA3 GLY A 327 -34.485 -9.179 29.436 1.00 0.00 H +ATOM 3002 N ARG A 328 -34.570 -7.514 27.458 1.00 15.75 N +ATOM 3003 CA ARG A 328 -34.667 -6.417 26.501 1.00 17.25 C +ATOM 3004 C ARG A 328 -34.609 -5.026 27.137 1.00 17.07 C +ATOM 3005 O ARG A 328 -34.349 -4.056 26.444 1.00 16.68 O +ATOM 3006 CB ARG A 328 -35.932 -6.561 25.657 1.00 17.87 C +ATOM 3007 CG ARG A 328 -37.193 -6.420 26.435 1.00 20.42 C +ATOM 3008 CD ARG A 328 -38.404 -6.793 25.614 1.00 23.56 C +ATOM 3009 NE ARG A 328 -39.588 -6.704 26.453 1.00 24.15 N +ATOM 3010 CZ ARG A 328 -40.827 -6.982 26.062 1.00 33.52 C +ATOM 3011 NH1 ARG A 328 -41.066 -7.352 24.810 1.00 34.65 N1+ +ATOM 3012 NH2 ARG A 328 -41.830 -6.866 26.934 1.00 32.73 N1+ +ATOM 3013 H ARG A 328 -35.379 -8.111 27.550 1.00 0.00 H +ATOM 3014 HA ARG A 328 -33.816 -6.500 25.825 1.00 0.00 H +ATOM 3015 HB2 ARG A 328 -35.918 -5.823 24.855 1.00 0.00 H +ATOM 3016 HB3 ARG A 328 -35.923 -7.528 25.155 1.00 0.00 H +ATOM 3017 HG2 ARG A 328 -37.146 -7.054 27.320 1.00 0.00 H +ATOM 3018 HG3 ARG A 328 -37.292 -5.391 26.781 1.00 0.00 H +ATOM 3019 HD2 ARG A 328 -38.501 -6.103 24.775 1.00 0.00 H +ATOM 3020 HD3 ARG A 328 -38.294 -7.814 25.248 1.00 0.00 H +ATOM 3021 HE ARG A 328 -39.413 -6.404 27.401 1.00 0.00 H +ATOM 3022 HH11 ARG A 328 -40.305 -7.423 24.150 1.00 0.00 H +ATOM 3023 HH12 ARG A 328 -42.009 -7.562 24.517 1.00 0.00 H +ATOM 3024 HH21 ARG A 328 -41.644 -6.569 27.881 1.00 0.00 H +ATOM 3025 HH22 ARG A 328 -42.776 -7.075 26.647 1.00 0.00 H +ATOM 3026 N ALA A 329 -34.809 -4.934 28.451 1.00 15.95 N +ATOM 3027 CA ALA A 329 -34.714 -3.650 29.150 1.00 12.86 C +ATOM 3028 C ALA A 329 -33.309 -3.056 29.168 1.00 13.18 C +ATOM 3029 O ALA A 329 -33.144 -1.895 29.515 1.00 13.77 O +ATOM 3030 CB ALA A 329 -35.240 -3.765 30.578 1.00 14.10 C +ATOM 3031 H ALA A 329 -35.031 -5.761 28.987 1.00 0.00 H +ATOM 3032 HA ALA A 329 -35.357 -2.945 28.623 1.00 0.00 H +ATOM 3033 HB1 ALA A 329 -35.158 -2.798 31.075 1.00 0.00 H +ATOM 3034 HB2 ALA A 329 -36.285 -4.075 30.557 1.00 0.00 H +ATOM 3035 HB3 ALA A 329 -34.653 -4.504 31.123 1.00 0.00 H +ATOM 3036 N VAL A 330 -32.300 -3.828 28.783 1.00 14.38 N +ATOM 3037 CA VAL A 330 -30.978 -3.257 28.569 1.00 15.86 C +ATOM 3038 C VAL A 330 -31.015 -2.079 27.580 1.00 13.18 C +ATOM 3039 O VAL A 330 -30.306 -1.101 27.763 1.00 12.34 O +ATOM 3040 CB VAL A 330 -29.911 -4.282 28.110 1.00 18.08 C +ATOM 3041 CG1 VAL A 330 -29.627 -5.286 29.219 1.00 22.90 C +ATOM 3042 CG2 VAL A 330 -30.290 -4.944 26.754 1.00 13.44 C +ATOM 3043 H VAL A 330 -32.448 -4.816 28.637 1.00 0.00 H +ATOM 3044 HA VAL A 330 -30.645 -2.858 29.527 1.00 0.00 H +ATOM 3045 HB VAL A 330 -28.989 -3.725 27.943 1.00 0.00 H +ATOM 3046 HG11 VAL A 330 -28.875 -5.999 28.881 1.00 0.00 H +ATOM 3047 HG12 VAL A 330 -29.258 -4.761 30.100 1.00 0.00 H +ATOM 3048 HG13 VAL A 330 -30.544 -5.818 29.472 1.00 0.00 H +ATOM 3049 HG21 VAL A 330 -29.516 -5.656 26.468 1.00 0.00 H +ATOM 3050 HG22 VAL A 330 -31.242 -5.465 26.857 1.00 0.00 H +ATOM 3051 HG23 VAL A 330 -30.378 -4.176 25.986 1.00 0.00 H +ATOM 3052 N ASP A 331 -31.858 -2.158 26.544 1.00 11.18 N +ATOM 3053 CA ASP A 331 -32.015 -1.025 25.608 1.00 10.87 C +ATOM 3054 C ASP A 331 -32.515 0.270 26.261 1.00 10.72 C +ATOM 3055 O ASP A 331 -32.113 1.384 25.854 1.00 10.08 O +ATOM 3056 CB ASP A 331 -32.912 -1.415 24.442 1.00 12.22 C +ATOM 3057 CG ASP A 331 -32.194 -2.311 23.409 1.00 14.99 C +ATOM 3058 OD1 ASP A 331 -30.931 -2.421 23.371 1.00 12.12 O +ATOM 3059 OD2 ASP A 331 -32.936 -2.954 22.655 1.00 13.62 O1- +ATOM 3060 H ASP A 331 -32.397 -2.999 26.394 1.00 0.00 H +ATOM 3061 HA ASP A 331 -31.029 -0.814 25.195 1.00 0.00 H +ATOM 3062 HB2 ASP A 331 -33.793 -1.933 24.820 1.00 0.00 H +ATOM 3063 HB3 ASP A 331 -33.277 -0.514 23.949 1.00 0.00 H +ATOM 3064 N TRP A 332 -33.306 0.129 27.314 1.00 12.36 N +ATOM 3065 CA TRP A 332 -33.831 1.314 28.001 1.00 13.47 C +ATOM 3066 C TRP A 332 -32.810 1.989 28.916 1.00 13.28 C +ATOM 3067 O TRP A 332 -32.840 3.193 29.067 1.00 12.11 O +ATOM 3068 CB TRP A 332 -35.129 0.998 28.715 1.00 12.04 C +ATOM 3069 CG TRP A 332 -36.147 0.356 27.794 1.00 11.45 C +ATOM 3070 CD1 TRP A 332 -36.872 -0.757 28.061 1.00 14.51 C +ATOM 3071 CD2 TRP A 332 -36.526 0.764 26.461 1.00 13.00 C +ATOM 3072 CE2 TRP A 332 -37.511 -0.144 26.019 1.00 16.49 C +ATOM 3073 CE3 TRP A 332 -36.156 1.828 25.619 1.00 18.09 C +ATOM 3074 NE1 TRP A 332 -37.682 -1.071 27.012 1.00 15.28 N +ATOM 3075 CZ2 TRP A 332 -38.106 -0.053 24.754 1.00 17.32 C +ATOM 3076 CZ3 TRP A 332 -36.753 1.923 24.365 1.00 21.98 C +ATOM 3077 CH2 TRP A 332 -37.723 0.979 23.946 1.00 21.36 C +ATOM 3078 H TRP A 332 -33.548 -0.794 27.644 1.00 0.00 H +ATOM 3079 HA TRP A 332 -34.075 2.038 27.224 1.00 0.00 H +ATOM 3080 HB2 TRP A 332 -34.928 0.332 29.554 1.00 0.00 H +ATOM 3081 HB3 TRP A 332 -35.545 1.915 29.133 1.00 0.00 H +ATOM 3082 HD1 TRP A 332 -36.756 -1.262 29.008 1.00 0.00 H +ATOM 3083 HE1 TRP A 332 -38.279 -1.884 27.061 1.00 0.00 H +ATOM 3084 HE3 TRP A 332 -35.423 2.549 25.950 1.00 0.00 H +ATOM 3085 HZ2 TRP A 332 -38.840 -0.784 24.449 1.00 0.00 H +ATOM 3086 HZ3 TRP A 332 -36.479 2.725 23.696 1.00 0.00 H +ATOM 3087 HH2 TRP A 332 -38.162 1.088 22.965 1.00 0.00 H +ATOM 3088 N TRP A 333 -31.894 1.197 29.476 1.00 10.12 N +ATOM 3089 CA TRP A 333 -30.713 1.711 30.152 1.00 13.04 C +ATOM 3090 C TRP A 333 -29.880 2.537 29.157 1.00 10.50 C +ATOM 3091 O TRP A 333 -29.459 3.674 29.438 1.00 10.19 O +ATOM 3092 CB TRP A 333 -29.881 0.557 30.748 1.00 14.48 C +ATOM 3093 CG TRP A 333 -28.611 1.055 31.333 1.00 10.76 C +ATOM 3094 CD1 TRP A 333 -27.417 1.253 30.687 1.00 11.77 C +ATOM 3095 CD2 TRP A 333 -28.397 1.477 32.694 1.00 12.68 C +ATOM 3096 CE2 TRP A 333 -27.069 1.918 32.783 1.00 12.43 C +ATOM 3097 CE3 TRP A 333 -29.196 1.520 33.839 1.00 14.40 C +ATOM 3098 NE1 TRP A 333 -26.492 1.755 31.551 1.00 14.58 N +ATOM 3099 CZ2 TRP A 333 -26.510 2.393 33.985 1.00 13.95 C +ATOM 3100 CZ3 TRP A 333 -28.631 2.001 35.040 1.00 13.63 C +ATOM 3101 CH2 TRP A 333 -27.302 2.430 35.091 1.00 15.84 C +ATOM 3102 H TRP A 333 -32.005 0.194 29.441 1.00 0.00 H +ATOM 3103 HA TRP A 333 -31.033 2.364 30.964 1.00 0.00 H +ATOM 3104 HB2 TRP A 333 -30.462 0.051 31.519 1.00 0.00 H +ATOM 3105 HB3 TRP A 333 -29.660 -0.172 29.968 1.00 0.00 H +ATOM 3106 HD1 TRP A 333 -27.324 1.013 29.638 1.00 0.00 H +ATOM 3107 HE1 TRP A 333 -25.552 1.943 31.232 1.00 0.00 H +ATOM 3108 HE3 TRP A 333 -30.223 1.189 33.793 1.00 0.00 H +ATOM 3109 HZ2 TRP A 333 -25.480 2.715 34.011 1.00 0.00 H +ATOM 3110 HZ3 TRP A 333 -29.228 2.042 35.939 1.00 0.00 H +ATOM 3111 HH2 TRP A 333 -26.906 2.795 36.027 1.00 0.00 H +ATOM 3112 N GLY A 334 -29.625 1.948 27.992 1.00 11.61 N +ATOM 3113 CA GLY A 334 -28.909 2.634 26.932 1.00 11.15 C +ATOM 3114 C GLY A 334 -29.583 3.946 26.552 1.00 11.15 C +ATOM 3115 O GLY A 334 -28.905 4.971 26.399 1.00 11.37 O +ATOM 3116 H GLY A 334 -29.932 1.000 27.828 1.00 0.00 H +ATOM 3117 HA2 GLY A 334 -27.887 2.831 27.254 1.00 0.00 H +ATOM 3118 HA3 GLY A 334 -28.852 1.988 26.056 1.00 0.00 H +ATOM 3119 N LEU A 335 -30.909 3.934 26.417 1.00 9.87 N +ATOM 3120 CA LEU A 335 -31.638 5.163 26.130 1.00 13.79 C +ATOM 3121 C LEU A 335 -31.388 6.215 27.231 1.00 10.17 C +ATOM 3122 O LEU A 335 -31.143 7.397 26.950 1.00 10.62 O +ATOM 3123 CB LEU A 335 -33.135 4.867 25.967 1.00 12.68 C +ATOM 3124 CG LEU A 335 -34.013 6.091 25.687 1.00 7.95 C +ATOM 3125 CD1 LEU A 335 -33.700 6.651 24.297 1.00 14.23 C +ATOM 3126 CD2 LEU A 335 -35.530 5.791 25.833 1.00 10.74 C +ATOM 3127 H LEU A 335 -31.419 3.067 26.514 1.00 0.00 H +ATOM 3128 HA LEU A 335 -31.267 5.565 25.187 1.00 0.00 H +ATOM 3129 HB2 LEU A 335 -33.273 4.135 25.172 1.00 0.00 H +ATOM 3130 HB3 LEU A 335 -33.501 4.357 26.858 1.00 0.00 H +ATOM 3131 HG LEU A 335 -33.755 6.857 26.418 1.00 0.00 H +ATOM 3132 HD11 LEU A 335 -34.328 7.521 24.105 1.00 0.00 H +ATOM 3133 HD12 LEU A 335 -32.651 6.944 24.250 1.00 0.00 H +ATOM 3134 HD13 LEU A 335 -33.898 5.888 23.544 1.00 0.00 H +ATOM 3135 HD21 LEU A 335 -36.102 6.695 25.623 1.00 0.00 H +ATOM 3136 HD22 LEU A 335 -35.816 5.009 25.129 1.00 0.00 H +ATOM 3137 HD23 LEU A 335 -35.739 5.458 26.850 1.00 0.00 H +ATOM 3138 N GLY A 336 -31.476 5.783 28.493 1.00 11.32 N +ATOM 3139 CA GLY A 336 -31.123 6.641 29.629 1.00 13.73 C +ATOM 3140 C GLY A 336 -29.742 7.271 29.516 1.00 11.35 C +ATOM 3141 O GLY A 336 -29.603 8.472 29.711 1.00 10.31 O +ATOM 3142 H GLY A 336 -31.792 4.843 28.684 1.00 0.00 H +ATOM 3143 HA2 GLY A 336 -31.871 7.427 29.735 1.00 0.00 H +ATOM 3144 HA3 GLY A 336 -31.182 6.063 30.551 1.00 0.00 H +ATOM 3145 N VAL A 337 -28.706 6.478 29.211 1.00 9.92 N +ATOM 3146 CA VAL A 337 -27.354 7.025 29.091 1.00 12.43 C +ATOM 3147 C VAL A 337 -27.252 8.084 27.987 1.00 11.87 C +ATOM 3148 O VAL A 337 -26.730 9.181 28.224 1.00 11.20 O +ATOM 3149 CB VAL A 337 -26.301 5.924 28.871 1.00 12.56 C +ATOM 3150 CG1 VAL A 337 -24.927 6.528 28.754 1.00 11.01 C +ATOM 3151 CG2 VAL A 337 -26.316 4.939 30.012 1.00 13.95 C +ATOM 3152 H VAL A 337 -28.853 5.490 29.061 1.00 0.00 H +ATOM 3153 HA VAL A 337 -27.118 7.516 30.035 1.00 0.00 H +ATOM 3154 HB VAL A 337 -26.533 5.395 27.947 1.00 0.00 H +ATOM 3155 HG11 VAL A 337 -24.194 5.737 28.599 1.00 0.00 H +ATOM 3156 HG12 VAL A 337 -24.903 7.216 27.909 1.00 0.00 H +ATOM 3157 HG13 VAL A 337 -24.688 7.069 29.670 1.00 0.00 H +ATOM 3158 HG21 VAL A 337 -25.565 4.169 29.838 1.00 0.00 H +ATOM 3159 HG22 VAL A 337 -26.094 5.458 30.944 1.00 0.00 H +ATOM 3160 HG23 VAL A 337 -27.301 4.477 30.081 1.00 0.00 H +ATOM 3161 N VAL A 338 -27.753 7.768 26.793 1.00 10.55 N +ATOM 3162 CA VAL A 338 -27.673 8.727 25.695 1.00 11.52 C +ATOM 3163 C VAL A 338 -28.471 10.004 25.977 1.00 9.52 C +ATOM 3164 O VAL A 338 -27.995 11.102 25.722 1.00 9.26 O +ATOM 3165 CB VAL A 338 -28.059 8.137 24.311 1.00 11.88 C +ATOM 3166 CG1 VAL A 338 -27.160 6.970 23.935 1.00 15.50 C +ATOM 3167 CG2 VAL A 338 -29.476 7.714 24.252 1.00 19.10 C +ATOM 3168 H VAL A 338 -28.187 6.867 26.650 1.00 0.00 H +ATOM 3169 HA VAL A 338 -26.627 9.026 25.622 1.00 0.00 H +ATOM 3170 HB VAL A 338 -27.915 8.919 23.566 1.00 0.00 H +ATOM 3171 HG11 VAL A 338 -27.457 6.581 22.961 1.00 0.00 H +ATOM 3172 HG12 VAL A 338 -26.125 7.308 23.890 1.00 0.00 H +ATOM 3173 HG13 VAL A 338 -27.253 6.183 24.684 1.00 0.00 H +ATOM 3174 HG21 VAL A 338 -29.694 7.309 23.264 1.00 0.00 H +ATOM 3175 HG22 VAL A 338 -29.659 6.949 25.006 1.00 0.00 H +ATOM 3176 HG23 VAL A 338 -30.120 8.572 24.443 1.00 0.00 H +ATOM 3177 N MET A 339 -29.670 9.856 26.534 1.00 10.72 N +ATOM 3178 CA MET A 339 -30.479 11.030 26.835 0.50 11.66 C +ATOM 3179 C MET A 339 -29.879 11.841 27.977 1.00 9.79 C +ATOM 3180 O MET A 339 -29.942 13.070 27.964 1.00 11.67 O +ATOM 3181 CB MET A 339 -31.928 10.654 27.118 0.50 8.35 C +ATOM 3182 CG MET A 339 -32.675 10.204 25.875 0.50 5.92 C +ATOM 3183 SD MET A 339 -34.443 9.983 26.031 0.50 5.26 S +ATOM 3184 CE MET A 339 -34.980 11.676 26.211 0.50 9.88 C +ATOM 3185 H MET A 339 -30.017 8.932 26.747 1.00 0.00 H +ATOM 3186 HA MET A 339 -30.475 11.664 25.948 0.50 0.00 H +ATOM 3187 HB2 MET A 339 -31.957 9.861 27.865 0.50 0.00 H +ATOM 3188 HB3 MET A 339 -32.443 11.506 27.562 0.50 0.00 H +ATOM 3189 HG2 MET A 339 -32.471 10.901 25.062 0.50 0.00 H +ATOM 3190 HG3 MET A 339 -32.230 9.281 25.503 0.50 0.00 H +ATOM 3191 HE1 MET A 339 -36.064 11.704 26.319 0.50 0.00 H +ATOM 3192 HE2 MET A 339 -34.516 12.113 27.095 0.50 0.00 H +ATOM 3193 HE3 MET A 339 -34.688 12.246 25.329 0.50 0.00 H +ATOM 3194 N TYR A 340 -29.269 11.162 28.949 1.00 11.42 N +ATOM 3195 CA TYR A 340 -28.514 11.839 30.006 1.00 13.83 C +ATOM 3196 C TYR A 340 -27.382 12.674 29.394 1.00 12.84 C +ATOM 3197 O TYR A 340 -27.192 13.845 29.740 1.00 10.88 O +ATOM 3198 CB TYR A 340 -27.943 10.824 30.996 1.00 12.59 C +ATOM 3199 CG TYR A 340 -27.306 11.444 32.224 1.00 9.93 C +ATOM 3200 CD1 TYR A 340 -26.041 12.033 32.136 1.00 12.05 C +ATOM 3201 CD2 TYR A 340 -27.924 11.403 33.466 1.00 13.86 C +ATOM 3202 CE1 TYR A 340 -25.436 12.610 33.245 1.00 13.75 C +ATOM 3203 CE2 TYR A 340 -27.321 11.974 34.599 1.00 13.30 C +ATOM 3204 CZ TYR A 340 -26.076 12.582 34.465 1.00 14.66 C +ATOM 3205 OH TYR A 340 -25.435 13.160 35.555 1.00 17.68 O +ATOM 3206 H TYR A 340 -29.320 10.154 28.970 1.00 0.00 H +ATOM 3207 HA TYR A 340 -29.188 12.507 30.542 1.00 0.00 H +ATOM 3208 HB2 TYR A 340 -28.732 10.138 31.305 1.00 0.00 H +ATOM 3209 HB3 TYR A 340 -27.211 10.196 30.488 1.00 0.00 H +ATOM 3210 HD1 TYR A 340 -25.515 12.045 31.193 1.00 0.00 H +ATOM 3211 HD2 TYR A 340 -28.887 10.926 33.575 1.00 0.00 H +ATOM 3212 HE1 TYR A 340 -24.468 13.078 33.149 1.00 0.00 H +ATOM 3213 HE2 TYR A 340 -27.823 11.937 35.554 1.00 0.00 H +ATOM 3214 HH TYR A 340 -25.987 13.071 36.335 1.00 0.00 H +ATOM 3215 N GLU A 341 -26.606 12.069 28.497 1.00 11.03 N +ATOM 3216 CA GLU A 341 -25.514 12.778 27.809 1.00 10.39 C +ATOM 3217 C GLU A 341 -26.041 14.002 27.065 1.00 11.67 C +ATOM 3218 O GLU A 341 -25.458 15.072 27.144 1.00 13.25 O +ATOM 3219 CB GLU A 341 -24.760 11.869 26.837 1.00 11.66 C +ATOM 3220 CG GLU A 341 -23.778 10.900 27.512 1.00 9.30 C +ATOM 3221 CD GLU A 341 -23.128 10.005 26.490 1.00 11.21 C +ATOM 3222 OE1 GLU A 341 -23.795 9.096 25.955 1.00 14.24 O +ATOM 3223 OE2 GLU A 341 -21.928 10.227 26.246 1.00 19.44 O1- +ATOM 3224 H GLU A 341 -26.758 11.096 28.272 1.00 0.00 H +ATOM 3225 HA GLU A 341 -24.808 13.122 28.565 1.00 0.00 H +ATOM 3226 HB2 GLU A 341 -25.477 11.302 26.243 1.00 0.00 H +ATOM 3227 HB3 GLU A 341 -24.223 12.481 26.113 1.00 0.00 H +ATOM 3228 HG2 GLU A 341 -23.010 11.468 28.037 1.00 0.00 H +ATOM 3229 HG3 GLU A 341 -24.313 10.291 28.241 1.00 0.00 H +ATOM 3230 N MET A 342 -27.188 13.859 26.402 1.00 11.40 N +ATOM 3231 CA MET A 342 -27.728 14.947 25.612 1.00 13.01 C +ATOM 3232 C MET A 342 -28.140 16.130 26.481 1.00 13.72 C +ATOM 3233 O MET A 342 -27.862 17.281 26.141 1.00 16.22 O +ATOM 3234 CB MET A 342 -28.938 14.466 24.801 1.00 13.54 C +ATOM 3235 CG MET A 342 -28.606 13.558 23.614 1.00 14.07 C +ATOM 3236 SD MET A 342 -30.153 13.118 22.792 1.00 19.58 S +ATOM 3237 CE MET A 342 -29.878 11.414 22.323 1.00 27.54 C +ATOM 3238 H MET A 342 -27.691 12.985 26.447 1.00 0.00 H +ATOM 3239 HA MET A 342 -26.959 15.282 24.916 1.00 0.00 H +ATOM 3240 HB2 MET A 342 -29.635 13.953 25.464 1.00 0.00 H +ATOM 3241 HB3 MET A 342 -29.501 15.330 24.448 1.00 0.00 H +ATOM 3242 HG2 MET A 342 -27.964 14.094 22.915 1.00 0.00 H +ATOM 3243 HG3 MET A 342 -28.117 12.653 23.975 1.00 0.00 H +ATOM 3244 HE1 MET A 342 -30.760 11.031 21.809 1.00 0.00 H +ATOM 3245 HE2 MET A 342 -29.016 11.354 21.659 1.00 0.00 H +ATOM 3246 HE3 MET A 342 -29.690 10.817 23.215 1.00 0.00 H +ATOM 3247 N MET A 343 -28.776 15.841 27.602 1.00 13.68 N +ATOM 3248 CA MET A 343 -29.326 16.905 28.454 1.00 16.29 C +ATOM 3249 C MET A 343 -28.366 17.433 29.513 1.00 18.01 C +ATOM 3250 O MET A 343 -28.455 18.602 29.862 1.00 18.40 O +ATOM 3251 CB MET A 343 -30.638 16.456 29.079 1.00 16.55 C +ATOM 3252 CG MET A 343 -31.734 16.366 28.018 1.00 17.57 C +ATOM 3253 SD MET A 343 -33.384 16.035 28.635 1.00 17.74 S +ATOM 3254 CE MET A 343 -33.279 14.290 28.957 1.00 20.74 C +ATOM 3255 H MET A 343 -28.890 14.878 27.884 1.00 0.00 H +ATOM 3256 HA MET A 343 -29.561 17.743 27.798 1.00 0.00 H +ATOM 3257 HB2 MET A 343 -30.503 15.480 29.545 1.00 0.00 H +ATOM 3258 HB3 MET A 343 -30.936 17.168 29.849 1.00 0.00 H +ATOM 3259 HG2 MET A 343 -31.746 17.286 27.434 1.00 0.00 H +ATOM 3260 HG3 MET A 343 -31.464 15.605 27.285 1.00 0.00 H +ATOM 3261 HE1 MET A 343 -34.232 13.934 29.347 1.00 0.00 H +ATOM 3262 HE2 MET A 343 -33.046 13.763 28.032 1.00 0.00 H +ATOM 3263 HE3 MET A 343 -32.494 14.102 29.690 1.00 0.00 H +ATOM 3264 N CYS A 344 -27.440 16.584 29.971 1.00 16.81 N +ATOM 3265 CA CYS A 344 -26.506 16.907 31.043 1.00 16.30 C +ATOM 3266 C CYS A 344 -25.072 17.178 30.600 1.00 16.86 C +ATOM 3267 O CYS A 344 -24.299 17.746 31.377 1.00 17.98 O +ATOM 3268 CB CYS A 344 -26.517 15.803 32.111 1.00 15.86 C +ATOM 3269 SG CYS A 344 -28.129 15.454 32.743 1.00 18.11 S +ATOM 3270 H CYS A 344 -27.360 15.660 29.571 1.00 0.00 H +ATOM 3271 HA CYS A 344 -26.870 17.817 31.520 1.00 0.00 H +ATOM 3272 HB2 CYS A 344 -26.087 14.892 31.694 1.00 0.00 H +ATOM 3273 HB3 CYS A 344 -25.860 16.088 32.933 1.00 0.00 H +ATOM 3274 HG CYS A 344 -28.048 14.487 33.662 1.00 0.00 H +ATOM 3275 N GLY A 345 -24.697 16.774 29.385 1.00 15.95 N +ATOM 3276 CA GLY A 345 -23.390 17.118 28.819 1.00 16.60 C +ATOM 3277 C GLY A 345 -22.210 16.270 29.297 1.00 16.81 C +ATOM 3278 O GLY A 345 -21.053 16.651 29.117 1.00 19.00 O +ATOM 3279 H GLY A 345 -25.322 16.213 28.824 1.00 0.00 H +ATOM 3280 HA2 GLY A 345 -23.447 17.075 27.731 1.00 0.00 H +ATOM 3281 HA3 GLY A 345 -23.179 18.170 29.014 1.00 0.00 H +ATOM 3282 N ARG A 346 -22.514 15.127 29.909 1.00 14.55 N +ATOM 3283 CA ARG A 346 -21.515 14.187 30.395 0.50 13.39 C +ATOM 3284 C ARG A 346 -22.149 12.811 30.542 1.00 13.48 C +ATOM 3285 O ARG A 346 -23.357 12.697 30.591 1.00 12.02 O +ATOM 3286 CB ARG A 346 -20.937 14.653 31.746 0.50 14.28 C +ATOM 3287 CG ARG A 346 -21.969 15.034 32.815 0.50 16.66 C +ATOM 3288 CD ARG A 346 -21.338 15.213 34.213 0.50 15.46 C +ATOM 3289 NE ARG A 346 -22.340 15.142 35.281 0.50 19.14 N +ATOM 3290 CZ ARG A 346 -22.946 16.189 35.845 0.50 12.96 C +ATOM 3291 NH1 ARG A 346 -22.669 17.422 35.469 0.50 13.63 N1+ +ATOM 3292 NH2 ARG A 346 -23.841 15.984 36.793 0.50 16.13 N1+ +ATOM 3293 H ARG A 346 -23.481 14.875 30.057 1.00 0.00 H +ATOM 3294 HA ARG A 346 -20.705 14.126 29.668 0.50 0.00 H +ATOM 3295 HB2 ARG A 346 -20.278 13.880 32.141 0.50 0.00 H +ATOM 3296 HB3 ARG A 346 -20.265 15.494 31.579 0.50 0.00 H +ATOM 3297 HG2 ARG A 346 -22.470 15.957 32.523 0.50 0.00 H +ATOM 3298 HG3 ARG A 346 -22.742 14.267 32.862 0.50 0.00 H +ATOM 3299 HD2 ARG A 346 -20.584 14.442 34.372 0.50 0.00 H +ATOM 3300 HD3 ARG A 346 -20.826 16.174 34.259 0.50 0.00 H +ATOM 3301 HE ARG A 346 -22.562 14.205 35.587 0.50 0.00 H +ATOM 3302 HH11 ARG A 346 -21.988 17.587 34.742 0.50 0.00 H +ATOM 3303 HH12 ARG A 346 -23.138 18.201 35.908 0.50 0.00 H +ATOM 3304 HH21 ARG A 346 -24.061 15.042 37.085 0.50 0.00 H +ATOM 3305 HH22 ARG A 346 -24.306 16.769 37.227 0.50 0.00 H +ATOM 3306 N LEU A 347 -21.330 11.771 30.647 1.00 13.54 N +ATOM 3307 CA LEU A 347 -21.830 10.450 30.996 1.00 13.47 C +ATOM 3308 C LEU A 347 -22.351 10.433 32.435 1.00 14.10 C +ATOM 3309 O LEU A 347 -21.857 11.167 33.280 1.00 15.63 O +ATOM 3310 CB LEU A 347 -20.714 9.427 30.851 1.00 13.97 C +ATOM 3311 CG LEU A 347 -20.370 9.080 29.409 1.00 14.56 C +ATOM 3312 CD1 LEU A 347 -18.962 8.542 29.372 1.00 22.06 C +ATOM 3313 CD2 LEU A 347 -21.396 8.083 28.818 1.00 16.88 C +ATOM 3314 H LEU A 347 -20.340 11.889 30.484 1.00 0.00 H +ATOM 3315 HA LEU A 347 -22.644 10.187 30.320 1.00 0.00 H +ATOM 3316 HB2 LEU A 347 -19.821 9.793 31.358 1.00 0.00 H +ATOM 3317 HB3 LEU A 347 -20.986 8.517 31.386 1.00 0.00 H +ATOM 3318 HG LEU A 347 -20.403 9.996 28.819 1.00 0.00 H +ATOM 3319 HD11 LEU A 347 -18.697 8.287 28.346 1.00 0.00 H +ATOM 3320 HD12 LEU A 347 -18.273 9.299 29.748 1.00 0.00 H +ATOM 3321 HD13 LEU A 347 -18.897 7.650 29.996 1.00 0.00 H +ATOM 3322 HD21 LEU A 347 -21.127 7.852 27.787 1.00 0.00 H +ATOM 3323 HD22 LEU A 347 -21.394 7.166 29.408 1.00 0.00 H +ATOM 3324 HD23 LEU A 347 -22.391 8.528 28.842 1.00 0.00 H +ATOM 3325 N PRO A 348 -23.344 9.587 32.719 1.00 14.20 N +ATOM 3326 CA PRO A 348 -23.830 9.485 34.101 1.00 14.69 C +ATOM 3327 C PRO A 348 -22.776 8.912 35.037 1.00 15.91 C +ATOM 3328 O PRO A 348 -22.734 9.293 36.195 1.00 16.61 O +ATOM 3329 CB PRO A 348 -25.078 8.578 33.982 1.00 17.43 C +ATOM 3330 CG PRO A 348 -24.901 7.831 32.706 1.00 14.42 C +ATOM 3331 CD PRO A 348 -24.096 8.716 31.797 1.00 13.43 C +ATOM 3332 HA PRO A 348 -24.131 10.472 34.454 1.00 0.00 H +ATOM 3333 HB2 PRO A 348 -25.094 7.874 34.814 1.00 0.00 H +ATOM 3334 HB3 PRO A 348 -25.971 9.199 33.917 1.00 0.00 H +ATOM 3335 HG2 PRO A 348 -24.349 6.911 32.898 1.00 0.00 H +ATOM 3336 HG3 PRO A 348 -25.877 7.643 32.258 1.00 0.00 H +ATOM 3337 HD2 PRO A 348 -23.396 8.106 31.226 1.00 0.00 H +ATOM 3338 HD3 PRO A 348 -24.771 9.325 31.196 1.00 0.00 H +ATOM 3339 N PHE A 349 -21.936 8.020 34.513 1.00 15.43 N +ATOM 3340 CA PHE A 349 -20.886 7.332 35.276 1.00 17.76 C +ATOM 3341 C PHE A 349 -19.611 7.306 34.462 1.00 17.81 C +ATOM 3342 O PHE A 349 -19.594 6.861 33.326 1.00 16.44 O +ATOM 3343 CB PHE A 349 -21.324 5.889 35.602 1.00 19.87 C +ATOM 3344 CG PHE A 349 -22.664 5.805 36.286 1.00 16.13 C +ATOM 3345 CD1 PHE A 349 -22.818 6.234 37.598 1.00 20.64 C +ATOM 3346 CD2 PHE A 349 -23.774 5.342 35.598 1.00 19.30 C +ATOM 3347 CE1 PHE A 349 -24.049 6.184 38.219 1.00 23.05 C +ATOM 3348 CE2 PHE A 349 -25.003 5.294 36.205 1.00 18.20 C +ATOM 3349 CZ PHE A 349 -25.145 5.716 37.530 1.00 17.64 C +ATOM 3350 H PHE A 349 -22.000 7.781 33.534 1.00 0.00 H +ATOM 3351 HA PHE A 349 -20.707 7.871 36.206 1.00 0.00 H +ATOM 3352 HB2 PHE A 349 -21.349 5.303 34.684 1.00 0.00 H +ATOM 3353 HB3 PHE A 349 -20.568 5.414 36.228 1.00 0.00 H +ATOM 3354 HD1 PHE A 349 -21.968 6.613 38.146 1.00 0.00 H +ATOM 3355 HD2 PHE A 349 -23.676 5.014 34.574 1.00 0.00 H +ATOM 3356 HE1 PHE A 349 -24.151 6.512 39.243 1.00 0.00 H +ATOM 3357 HE2 PHE A 349 -25.861 4.930 35.659 1.00 0.00 H +ATOM 3358 HZ PHE A 349 -26.110 5.676 38.013 1.00 0.00 H +ATOM 3359 N TYR A 350 -18.511 7.792 35.022 1.00 19.50 N +ATOM 3360 CA TYR A 350 -17.261 7.724 34.277 1.00 23.04 C +ATOM 3361 C TYR A 350 -16.020 7.566 35.141 1.00 25.57 C +ATOM 3362 O TYR A 350 -15.873 8.222 36.161 1.00 25.44 O +ATOM 3363 CB TYR A 350 -17.075 8.932 33.342 1.00 23.99 C +ATOM 3364 CG TYR A 350 -15.826 8.776 32.499 1.00 23.83 C +ATOM 3365 CD1 TYR A 350 -15.788 7.856 31.451 1.00 26.13 C +ATOM 3366 CD2 TYR A 350 -14.667 9.490 32.792 1.00 26.68 C +ATOM 3367 CE1 TYR A 350 -14.641 7.678 30.698 1.00 29.40 C +ATOM 3368 CE2 TYR A 350 -13.514 9.322 32.043 1.00 29.82 C +ATOM 3369 CZ TYR A 350 -13.504 8.414 30.998 1.00 32.00 C +ATOM 3370 OH TYR A 350 -12.360 8.232 30.252 1.00 38.32 O +ATOM 3371 H TYR A 350 -18.552 8.198 35.946 1.00 0.00 H +ATOM 3372 HA TYR A 350 -17.319 6.839 33.643 1.00 0.00 H +ATOM 3373 HB2 TYR A 350 -17.944 9.023 32.690 1.00 0.00 H +ATOM 3374 HB3 TYR A 350 -17.000 9.843 33.936 1.00 0.00 H +ATOM 3375 HD1 TYR A 350 -16.663 7.269 31.216 1.00 0.00 H +ATOM 3376 HD2 TYR A 350 -14.657 10.189 33.615 1.00 0.00 H +ATOM 3377 HE1 TYR A 350 -14.635 6.970 29.883 1.00 0.00 H +ATOM 3378 HE2 TYR A 350 -12.630 9.898 32.276 1.00 0.00 H +ATOM 3379 HH TYR A 350 -11.667 8.809 30.581 1.00 0.00 H +ATOM 3380 N ASN A 351 -15.155 6.662 34.685 1.00 25.44 N +ATOM 3381 CA ASN A 351 -13.770 6.575 35.108 1.00 28.19 C +ATOM 3382 C ASN A 351 -12.965 5.950 33.977 1.00 29.06 C +ATOM 3383 O ASN A 351 -13.444 5.036 33.318 1.00 27.75 O +ATOM 3384 CB ASN A 351 -13.630 5.753 36.387 1.00 27.21 C +ATOM 3385 CG ASN A 351 -12.317 6.014 37.098 1.00 31.40 C +ATOM 3386 ND2 ASN A 351 -12.389 6.765 38.186 1.00 33.25 N +ATOM 3387 OD1 ASN A 351 -11.253 5.542 36.679 1.00 29.71 O +ATOM 3388 H ASN A 351 -15.451 5.980 34.001 1.00 0.00 H +ATOM 3389 HA ASN A 351 -13.394 7.581 35.293 1.00 0.00 H +ATOM 3390 HB2 ASN A 351 -14.458 5.983 37.058 1.00 0.00 H +ATOM 3391 HB3 ASN A 351 -13.707 4.693 36.147 1.00 0.00 H +ATOM 3392 HD21 ASN A 351 -13.281 7.124 38.493 1.00 0.00 H +ATOM 3393 HD22 ASN A 351 -11.552 6.978 38.709 1.00 0.00 H +ATOM 3394 N GLN A 352 -11.757 6.467 33.754 1.00 30.16 N +ATOM 3395 CA GLN A 352 -10.862 5.950 32.719 0.50 31.68 C +ATOM 3396 C GLN A 352 -10.450 4.501 33.016 1.00 31.35 C +ATOM 3397 O GLN A 352 -10.084 3.753 32.110 1.00 32.20 O +ATOM 3398 CB GLN A 352 -9.621 6.840 32.597 0.50 33.39 C +ATOM 3399 CG GLN A 352 -9.919 8.282 32.174 0.50 36.11 C +ATOM 3400 CD GLN A 352 -8.792 9.253 32.498 0.50 41.08 C +ATOM 3401 NE2 GLN A 352 -7.556 8.754 32.502 0.50 44.61 N +ATOM 3402 OE1 GLN A 352 -9.033 10.439 32.739 0.50 41.19 O +ATOM 3403 H GLN A 352 -11.430 7.244 34.310 1.00 0.00 H +ATOM 3404 HA GLN A 352 -11.392 5.968 31.767 0.50 0.00 H +ATOM 3405 HB2 GLN A 352 -9.086 6.845 33.546 0.50 0.00 H +ATOM 3406 HB3 GLN A 352 -8.924 6.393 31.889 0.50 0.00 H +ATOM 3407 HG2 GLN A 352 -10.124 8.310 31.104 0.50 0.00 H +ATOM 3408 HG3 GLN A 352 -10.836 8.618 32.657 0.50 0.00 H +ATOM 3409 HE21 GLN A 352 -7.405 7.777 32.297 0.50 0.00 H +ATOM 3410 HE22 GLN A 352 -6.770 9.353 32.710 0.50 0.00 H +ATOM 3411 N ASP A 353 -10.520 4.111 34.285 1.00 29.87 N +ATOM 3412 CA ASP A 353 -10.263 2.728 34.690 1.00 32.04 C +ATOM 3413 C ASP A 353 -11.563 1.914 34.717 1.00 29.35 C +ATOM 3414 O ASP A 353 -12.478 2.209 35.488 1.00 27.50 O +ATOM 3415 CB ASP A 353 -9.596 2.709 36.068 1.00 32.16 C +ATOM 3416 CG ASP A 353 -9.222 1.304 36.535 1.00 37.08 C +ATOM 3417 OD1 ASP A 353 -9.185 0.363 35.714 1.00 40.99 O +ATOM 3418 OD2 ASP A 353 -8.948 1.149 37.745 1.00 53.49 O1- +ATOM 3419 H ASP A 353 -10.757 4.778 35.006 1.00 0.00 H +ATOM 3420 HA ASP A 353 -9.584 2.275 33.968 1.00 0.00 H +ATOM 3421 HB2 ASP A 353 -8.703 3.333 36.046 1.00 0.00 H +ATOM 3422 HB3 ASP A 353 -10.262 3.168 36.799 1.00 0.00 H +ATOM 3423 N HID A 354 -11.643 0.882 33.879 1.00 30.74 N +ATOM 3424 CA HID A 354 -12.874 0.085 33.761 1.00 29.11 C +ATOM 3425 C HID A 354 -13.311 -0.553 35.065 1.00 30.57 C +ATOM 3426 O HID A 354 -14.504 -0.692 35.303 1.00 29.95 O +ATOM 3427 CB HID A 354 -12.749 -0.987 32.682 1.00 31.51 C +ATOM 3428 CG HID A 354 -12.777 -0.445 31.291 1.00 28.75 C +ATOM 3429 CD2 HID A 354 -13.044 0.796 30.824 1.00 24.50 C +ATOM 3430 ND1 HID A 354 -12.491 -1.215 30.188 1.00 29.51 N +ATOM 3431 CE1 HID A 354 -12.583 -0.473 29.100 1.00 28.66 C +ATOM 3432 NE2 HID A 354 -12.924 0.751 29.460 1.00 27.78 N +ATOM 3433 H HID A 354 -10.848 0.632 33.308 1.00 0.00 H +ATOM 3434 HA HID A 354 -13.669 0.763 33.451 1.00 0.00 H +ATOM 3435 HB2 HID A 354 -11.826 -1.547 32.834 1.00 0.00 H +ATOM 3436 HB3 HID A 354 -13.550 -1.716 32.802 1.00 0.00 H +ATOM 3437 HD1 HID A 354 -12.257 -2.191 30.300 1.00 0.00 H +ATOM 3438 HD2 HID A 354 -13.294 1.590 31.512 1.00 0.00 H +ATOM 3439 HE1 HID A 354 -12.388 -0.909 28.131 1.00 0.00 H +ATOM 3440 N GLU A 355 -12.348 -0.954 35.891 1.00 31.79 N +ATOM 3441 CA GLU A 355 -12.625 -1.445 37.241 1.00 32.22 C +ATOM 3442 C GLU A 355 -13.498 -0.471 38.031 1.00 29.51 C +ATOM 3443 O GLU A 355 -14.537 -0.847 38.571 1.00 31.74 O +ATOM 3444 CB GLU A 355 -11.306 -1.687 37.999 1.00 32.90 C +ATOM 3445 CG GLU A 355 -11.482 -2.216 39.424 0.50 34.00 C +ATOM 3446 CD GLU A 355 -10.173 -2.358 40.191 0.50 33.42 C +ATOM 3447 OE1 GLU A 355 -9.083 -2.235 39.587 0.50 34.65 O +ATOM 3448 OE2 GLU A 355 -10.243 -2.596 41.413 0.50 38.37 O1- +ATOM 3449 H GLU A 355 -11.383 -0.926 35.593 1.00 0.00 H +ATOM 3450 HA GLU A 355 -13.155 -2.394 37.160 1.00 0.00 H +ATOM 3451 HB2 GLU A 355 -10.685 -2.380 37.431 1.00 0.00 H +ATOM 3452 HB3 GLU A 355 -10.730 -0.762 38.026 1.00 0.00 H +ATOM 3453 HG2 GLU A 355 -12.154 -1.557 39.974 1.00 0.00 H +ATOM 3454 HG3 GLU A 355 -11.989 -3.181 39.392 1.00 0.00 H +ATOM 3455 N LYS A 356 -13.057 0.777 38.098 1.00 28.39 N +ATOM 3456 CA LYS A 356 -13.773 1.823 38.822 1.00 26.41 C +ATOM 3457 C LYS A 356 -15.085 2.208 38.131 1.00 21.32 C +ATOM 3458 O LYS A 356 -16.089 2.452 38.789 1.00 23.75 O +ATOM 3459 CB LYS A 356 -12.883 3.065 38.964 1.00 27.93 C +ATOM 3460 CG LYS A 356 -11.655 2.830 39.856 1.00 34.25 C +ATOM 3461 CD LYS A 356 -10.860 4.110 40.018 1.00 37.28 C +ATOM 3462 CE LYS A 356 -9.752 3.961 41.047 1.00 43.78 C +ATOM 3463 NZ LYS A 356 -8.589 4.846 40.726 1.00 47.56 N1+ +ATOM 3464 H LYS A 356 -12.195 1.034 37.638 1.00 0.00 H +ATOM 3465 HA LYS A 356 -14.006 1.452 39.820 1.00 0.00 H +ATOM 3466 HB2 LYS A 356 -12.556 3.391 37.977 1.00 0.00 H +ATOM 3467 HB3 LYS A 356 -13.472 3.888 39.369 1.00 0.00 H +ATOM 3468 HG2 LYS A 356 -11.980 2.478 40.835 1.00 0.00 H +ATOM 3469 HG3 LYS A 356 -11.022 2.064 39.408 1.00 0.00 H +ATOM 3470 HD2 LYS A 356 -10.428 4.392 39.058 1.00 0.00 H +ATOM 3471 HD3 LYS A 356 -11.529 4.916 40.319 1.00 0.00 H +ATOM 3472 HE2 LYS A 356 -10.138 4.213 42.035 1.00 0.00 H +ATOM 3473 HE3 LYS A 356 -9.421 2.923 41.076 1.00 0.00 H +ATOM 3474 HZ1 LYS A 356 -7.870 4.725 41.425 1.00 0.00 H +ATOM 3475 HZ2 LYS A 356 -8.219 4.601 39.819 1.00 0.00 H +ATOM 3476 HZ3 LYS A 356 -8.891 5.810 40.717 1.00 0.00 H +ATOM 3477 N LEU A 357 -15.054 2.256 36.804 1.00 22.91 N +ATOM 3478 CA LEU A 357 -16.252 2.562 36.014 1.00 20.80 C +ATOM 3479 C LEU A 357 -17.390 1.588 36.313 1.00 18.54 C +ATOM 3480 O LEU A 357 -18.530 1.984 36.559 1.00 18.75 O +ATOM 3481 CB LEU A 357 -15.915 2.502 34.523 1.00 19.44 C +ATOM 3482 CG LEU A 357 -17.074 2.605 33.515 1.00 16.22 C +ATOM 3483 CD1 LEU A 357 -17.700 3.940 33.585 1.00 17.61 C +ATOM 3484 CD2 LEU A 357 -16.558 2.340 32.127 1.00 17.07 C +ATOM 3485 H LEU A 357 -14.190 2.079 36.312 1.00 0.00 H +ATOM 3486 HA LEU A 357 -16.583 3.572 36.257 1.00 0.00 H +ATOM 3487 HB2 LEU A 357 -15.173 3.267 34.294 1.00 0.00 H +ATOM 3488 HB3 LEU A 357 -15.346 1.594 34.322 1.00 0.00 H +ATOM 3489 HG LEU A 357 -17.823 1.852 33.762 1.00 0.00 H +ATOM 3490 HD11 LEU A 357 -18.518 3.997 32.866 1.00 0.00 H +ATOM 3491 HD12 LEU A 357 -18.088 4.108 34.590 1.00 0.00 H +ATOM 3492 HD13 LEU A 357 -16.957 4.703 33.351 1.00 0.00 H +ATOM 3493 HD21 LEU A 357 -17.379 2.413 31.414 1.00 0.00 H +ATOM 3494 HD22 LEU A 357 -15.793 3.075 31.877 1.00 0.00 H +ATOM 3495 HD23 LEU A 357 -16.128 1.340 32.084 1.00 0.00 H +ATOM 3496 N PHE A 358 -17.075 0.298 36.262 1.00 21.22 N +ATOM 3497 CA PHE A 358 -18.062 -0.746 36.485 1.00 19.42 C +ATOM 3498 C PHE A 358 -18.613 -0.688 37.909 1.00 19.86 C +ATOM 3499 O PHE A 358 -19.807 -0.900 38.129 1.00 20.51 O +ATOM 3500 CB PHE A 358 -17.462 -2.136 36.184 1.00 19.79 C +ATOM 3501 CG PHE A 358 -17.070 -2.363 34.737 1.00 19.92 C +ATOM 3502 CD1 PHE A 358 -17.598 -1.596 33.696 1.00 20.28 C +ATOM 3503 CD2 PHE A 358 -16.189 -3.393 34.417 1.00 22.95 C +ATOM 3504 CE1 PHE A 358 -17.230 -1.828 32.387 1.00 22.75 C +ATOM 3505 CE2 PHE A 358 -15.825 -3.636 33.110 1.00 24.51 C +ATOM 3506 CZ PHE A 358 -16.346 -2.853 32.088 1.00 27.49 C +ATOM 3507 H PHE A 358 -16.125 0.018 36.063 1.00 0.00 H +ATOM 3508 HA PHE A 358 -18.890 -0.580 35.796 1.00 0.00 H +ATOM 3509 HB2 PHE A 358 -16.594 -2.300 36.823 1.00 0.00 H +ATOM 3510 HB3 PHE A 358 -18.168 -2.908 36.492 1.00 0.00 H +ATOM 3511 HD1 PHE A 358 -18.305 -0.808 33.910 1.00 0.00 H +ATOM 3512 HD2 PHE A 358 -15.780 -4.016 35.199 1.00 0.00 H +ATOM 3513 HE1 PHE A 358 -17.631 -1.211 31.596 1.00 0.00 H +ATOM 3514 HE2 PHE A 358 -15.135 -4.435 32.881 1.00 0.00 H +ATOM 3515 HZ PHE A 358 -16.064 -3.041 31.063 1.00 0.00 H +ATOM 3516 N GLU A 359 -17.757 -0.372 38.882 1.00 22.07 N +ATOM 3517 CA GLU A 359 -18.224 -0.172 40.267 1.00 23.01 C +ATOM 3518 C GLU A 359 -19.244 0.949 40.372 1.00 22.57 C +ATOM 3519 O GLU A 359 -20.256 0.809 41.043 1.00 21.05 O +ATOM 3520 CB GLU A 359 -17.040 0.118 41.206 1.00 25.86 C +ATOM 3521 CG GLU A 359 -16.151 -1.093 41.466 0.50 28.74 C +ATOM 3522 CD GLU A 359 -14.937 -0.783 42.344 0.50 34.29 C +ATOM 3523 OE1 GLU A 359 -14.711 0.399 42.697 0.50 33.80 O +ATOM 3524 OE2 GLU A 359 -14.209 -1.740 42.678 0.50 33.80 O1- +ATOM 3525 H GLU A 359 -16.774 -0.266 38.675 1.00 0.00 H +ATOM 3526 HA GLU A 359 -18.700 -1.094 40.599 1.00 0.00 H +ATOM 3527 HB2 GLU A 359 -16.438 0.926 40.790 1.00 0.00 H +ATOM 3528 HB3 GLU A 359 -17.416 0.501 42.155 1.00 0.00 H +ATOM 3529 HG2 GLU A 359 -16.742 -1.882 41.931 1.00 0.00 H +ATOM 3530 HG3 GLU A 359 -15.814 -1.505 40.515 1.00 0.00 H +ATOM 3531 N LEU A 360 -18.982 2.066 39.691 1.00 21.58 N +ATOM 3532 CA LEU A 360 -19.911 3.201 39.681 1.00 20.39 C +ATOM 3533 C LEU A 360 -21.284 2.819 39.115 1.00 16.30 C +ATOM 3534 O LEU A 360 -22.326 3.100 39.705 1.00 20.29 O +ATOM 3535 CB LEU A 360 -19.303 4.376 38.885 1.00 21.83 C +ATOM 3536 CG LEU A 360 -18.030 5.067 39.415 1.00 24.10 C +ATOM 3537 CD1 LEU A 360 -17.510 6.102 38.415 1.00 23.82 C +ATOM 3538 CD2 LEU A 360 -18.317 5.717 40.755 1.00 27.20 C +ATOM 3539 H LEU A 360 -18.124 2.146 39.163 1.00 0.00 H +ATOM 3540 HA LEU A 360 -20.051 3.530 40.711 1.00 0.00 H +ATOM 3541 HB2 LEU A 360 -19.132 4.058 37.857 1.00 0.00 H +ATOM 3542 HB3 LEU A 360 -20.073 5.129 38.720 1.00 0.00 H +ATOM 3543 HG LEU A 360 -17.260 4.309 39.558 1.00 0.00 H +ATOM 3544 HD11 LEU A 360 -16.612 6.574 38.814 1.00 0.00 H +ATOM 3545 HD12 LEU A 360 -17.273 5.610 37.472 1.00 0.00 H +ATOM 3546 HD13 LEU A 360 -18.274 6.861 38.246 1.00 0.00 H +ATOM 3547 HD21 LEU A 360 -17.414 6.203 41.124 1.00 0.00 H +ATOM 3548 HD22 LEU A 360 -19.107 6.459 40.638 1.00 0.00 H +ATOM 3549 HD23 LEU A 360 -18.637 4.956 41.467 1.00 0.00 H +ATOM 3550 N ILE A 361 -21.270 2.191 37.935 1.00 19.01 N +ATOM 3551 CA ILE A 361 -22.505 1.740 37.279 1.00 16.94 C +ATOM 3552 C ILE A 361 -23.330 0.838 38.197 1.00 15.65 C +ATOM 3553 O ILE A 361 -24.559 0.958 38.267 1.00 16.52 O +ATOM 3554 CB ILE A 361 -22.196 1.016 35.945 1.00 17.43 C +ATOM 3555 CG1 ILE A 361 -21.637 2.019 34.917 1.00 15.40 C +ATOM 3556 CG2 ILE A 361 -23.433 0.321 35.411 1.00 14.56 C +ATOM 3557 CD1 ILE A 361 -20.917 1.370 33.734 1.00 13.74 C +ATOM 3558 H ILE A 361 -20.392 2.014 37.468 1.00 0.00 H +ATOM 3559 HA ILE A 361 -23.104 2.622 37.050 1.00 0.00 H +ATOM 3560 HB ILE A 361 -21.434 0.260 36.135 1.00 0.00 H +ATOM 3561 HG12 ILE A 361 -22.448 2.646 34.546 1.00 0.00 H +ATOM 3562 HG13 ILE A 361 -20.959 2.709 35.418 1.00 0.00 H +ATOM 3563 HG21 ILE A 361 -23.192 -0.181 34.474 1.00 0.00 H +ATOM 3564 HG22 ILE A 361 -23.780 -0.414 36.137 1.00 0.00 H +ATOM 3565 HG23 ILE A 361 -24.218 1.057 35.237 1.00 0.00 H +ATOM 3566 HD11 ILE A 361 -20.555 2.145 33.059 1.00 0.00 H +ATOM 3567 HD12 ILE A 361 -20.074 0.783 34.099 1.00 0.00 H +ATOM 3568 HD13 ILE A 361 -21.609 0.718 33.200 1.00 0.00 H +ATOM 3569 N LEU A 362 -22.648 -0.068 38.889 1.00 18.35 N +ATOM 3570 CA LEU A 362 -23.304 -1.016 39.790 1.00 19.56 C +ATOM 3571 C LEU A 362 -23.782 -0.422 41.111 1.00 21.33 C +ATOM 3572 O LEU A 362 -24.850 -0.787 41.607 1.00 23.89 O +ATOM 3573 CB LEU A 362 -22.369 -2.206 40.049 1.00 21.36 C +ATOM 3574 CG LEU A 362 -22.241 -3.140 38.848 1.00 22.16 C +ATOM 3575 CD1 LEU A 362 -21.075 -4.081 39.008 1.00 25.71 C +ATOM 3576 CD2 LEU A 362 -23.547 -3.900 38.616 1.00 20.88 C +ATOM 3577 H LEU A 362 -21.643 -0.118 38.802 1.00 0.00 H +ATOM 3578 HA LEU A 362 -24.182 -1.401 39.271 1.00 0.00 H +ATOM 3579 HB2 LEU A 362 -21.382 -1.837 40.327 1.00 0.00 H +ATOM 3580 HB3 LEU A 362 -22.730 -2.770 40.909 1.00 0.00 H +ATOM 3581 HG LEU A 362 -22.053 -2.525 37.968 1.00 0.00 H +ATOM 3582 HD11 LEU A 362 -21.011 -4.733 38.137 1.00 0.00 H +ATOM 3583 HD12 LEU A 362 -20.153 -3.506 39.100 1.00 0.00 H +ATOM 3584 HD13 LEU A 362 -21.216 -4.686 39.904 1.00 0.00 H +ATOM 3585 HD21 LEU A 362 -23.436 -4.560 37.756 1.00 0.00 H +ATOM 3586 HD22 LEU A 362 -23.785 -4.492 39.500 1.00 0.00 H +ATOM 3587 HD23 LEU A 362 -24.352 -3.190 38.427 1.00 0.00 H +ATOM 3588 N MET A 363 -23.010 0.518 41.650 1.00 21.32 N +ATOM 3589 CA MET A 363 -23.151 0.922 43.059 1.00 26.60 C +ATOM 3590 C MET A 363 -23.540 2.379 43.308 1.00 27.60 C +ATOM 3591 O MET A 363 -24.175 2.688 44.323 1.00 31.44 O +ATOM 3592 CB MET A 363 -21.856 0.618 43.804 1.00 28.71 C +ATOM 3593 CG MET A 363 -21.455 -0.855 43.802 1.00 36.76 C +ATOM 3594 SD MET A 363 -22.419 -1.810 44.980 1.00 50.48 S +ATOM 3595 CE MET A 363 -23.824 -2.385 44.028 1.00 50.44 C +ATOM 3596 H MET A 363 -22.305 0.975 41.090 1.00 0.00 H +ATOM 3597 HA MET A 363 -23.931 0.299 43.498 1.00 0.00 H +ATOM 3598 HB2 MET A 363 -21.047 1.213 43.380 1.00 0.00 H +ATOM 3599 HB3 MET A 363 -21.941 0.968 44.833 1.00 0.00 H +ATOM 3600 HG2 MET A 363 -21.593 -1.267 42.802 1.00 0.00 H +ATOM 3601 HG3 MET A 363 -20.396 -0.943 44.044 1.00 0.00 H +ATOM 3602 HE1 MET A 363 -24.476 -2.982 44.666 1.00 0.00 H +ATOM 3603 HE2 MET A 363 -24.378 -1.529 43.644 1.00 0.00 H +ATOM 3604 HE3 MET A 363 -23.474 -2.995 43.195 1.00 0.00 H +ATOM 3605 N GLU A 364 -23.192 3.276 42.393 1.00 24.99 N +ATOM 3606 CA GLU A 364 -23.388 4.708 42.640 1.00 25.70 C +ATOM 3607 C GLU A 364 -24.776 5.205 42.249 1.00 23.59 C +ATOM 3608 O GLU A 364 -25.246 4.989 41.126 1.00 22.69 O +ATOM 3609 CB GLU A 364 -22.300 5.502 41.922 1.00 27.71 C +ATOM 3610 CG GLU A 364 -22.175 6.960 42.361 1.00 35.00 C +ATOM 3611 CD GLU A 364 -21.724 7.119 43.807 1.00 44.08 C +ATOM 3612 OE1 GLU A 364 -21.189 6.147 44.387 1.00 45.42 O +ATOM 3613 OE2 GLU A 364 -21.909 8.224 44.363 1.00 51.04 O1- +ATOM 3614 H GLU A 364 -22.788 2.974 41.518 1.00 0.00 H +ATOM 3615 HA GLU A 364 -23.267 4.877 43.710 1.00 0.00 H +ATOM 3616 HB2 GLU A 364 -21.341 5.002 42.055 1.00 0.00 H +ATOM 3617 HB3 GLU A 364 -22.475 5.463 40.847 1.00 0.00 H +ATOM 3618 HG2 GLU A 364 -21.475 7.477 41.705 1.00 0.00 H +ATOM 3619 HG3 GLU A 364 -23.132 7.463 42.223 1.00 0.00 H +ATOM 3620 N GLU A 365 -25.437 5.897 43.169 1.00 21.66 N +ATOM 3621 CA GLU A 365 -26.722 6.518 42.865 1.00 22.35 C +ATOM 3622 C GLU A 365 -26.567 7.630 41.818 1.00 22.02 C +ATOM 3623 O GLU A 365 -25.611 8.417 41.863 1.00 23.46 O +ATOM 3624 CB GLU A 365 -27.360 7.080 44.138 1.00 24.73 C +ATOM 3625 CG GLU A 365 -28.800 7.576 43.986 1.00 29.90 C +ATOM 3626 CD GLU A 365 -29.253 8.441 45.169 1.00 44.06 C +ATOM 3627 OE1 GLU A 365 -28.658 8.325 46.264 1.00 52.82 O +ATOM 3628 OE2 GLU A 365 -30.197 9.247 45.009 1.00 45.12 O1- +ATOM 3629 H GLU A 365 -25.052 6.000 44.097 1.00 0.00 H +ATOM 3630 HA GLU A 365 -27.384 5.754 42.458 1.00 0.00 H +ATOM 3631 HB2 GLU A 365 -27.320 6.326 44.924 1.00 0.00 H +ATOM 3632 HB3 GLU A 365 -26.740 7.888 44.525 1.00 0.00 H +ATOM 3633 HG2 GLU A 365 -28.890 8.149 43.063 1.00 0.00 H +ATOM 3634 HG3 GLU A 365 -29.469 6.721 43.885 1.00 0.00 H +ATOM 3635 N ILE A 366 -27.505 7.681 40.880 1.00 24.15 N +ATOM 3636 CA ILE A 366 -27.490 8.695 39.823 1.00 23.58 C +ATOM 3637 C ILE A 366 -27.607 10.104 40.438 1.00 23.05 C +ATOM 3638 O ILE A 366 -28.301 10.288 41.437 1.00 22.16 O +ATOM 3639 CB ILE A 366 -28.620 8.439 38.763 1.00 21.88 C +ATOM 3640 CG1 ILE A 366 -28.464 9.314 37.510 1.00 26.53 C +ATOM 3641 CG2 ILE A 366 -30.012 8.639 39.334 1.00 24.61 C +ATOM 3642 CD1 ILE A 366 -27.288 8.944 36.686 1.00 26.22 C +ATOM 3643 H ILE A 366 -28.258 7.008 40.882 1.00 0.00 H +ATOM 3644 HA ILE A 366 -26.530 8.631 39.311 1.00 0.00 H +ATOM 3645 HB ILE A 366 -28.542 7.399 38.447 1.00 0.00 H +ATOM 3646 HG12 ILE A 366 -29.367 9.243 36.904 1.00 0.00 H +ATOM 3647 HG13 ILE A 366 -28.384 10.360 37.806 1.00 0.00 H +ATOM 3648 HG21 ILE A 366 -30.754 8.449 38.559 1.00 0.00 H +ATOM 3649 HG22 ILE A 366 -30.168 7.948 40.163 1.00 0.00 H +ATOM 3650 HG23 ILE A 366 -30.115 9.664 39.692 1.00 0.00 H +ATOM 3651 HD11 ILE A 366 -27.233 9.598 35.816 1.00 0.00 H +ATOM 3652 HD12 ILE A 366 -26.380 9.052 37.279 1.00 0.00 H +ATOM 3653 HD13 ILE A 366 -27.386 7.910 36.356 1.00 0.00 H +ATOM 3654 N ARG A 367 -26.888 11.059 39.856 1.00 22.48 N +ATOM 3655 CA ARG A 367 -27.042 12.489 40.162 1.00 22.15 C +ATOM 3656 C ARG A 367 -27.251 13.284 38.873 1.00 22.11 C +ATOM 3657 O ARG A 367 -26.868 12.834 37.771 1.00 18.60 O +ATOM 3658 CB ARG A 367 -25.813 13.014 40.897 1.00 22.96 C +ATOM 3659 CG ARG A 367 -25.645 12.491 42.319 1.00 25.82 C +ATOM 3660 CD ARG A 367 -24.300 12.901 42.896 1.00 23.21 C +ATOM 3661 NE ARG A 367 -23.211 12.232 42.221 1.00 24.86 N +ATOM 3662 CZ ARG A 367 -21.920 12.500 42.378 1.00 29.56 C +ATOM 3663 NH1 ARG A 367 -21.527 13.452 43.213 1.00 31.33 N1+ +ATOM 3664 NH2 ARG A 367 -21.020 11.804 41.692 1.00 33.99 N1+ +ATOM 3665 H ARG A 367 -26.193 10.817 39.164 1.00 0.00 H +ATOM 3666 HA ARG A 367 -27.916 12.619 40.801 1.00 0.00 H +ATOM 3667 HB2 ARG A 367 -24.919 12.780 40.319 1.00 0.00 H +ATOM 3668 HB3 ARG A 367 -25.841 14.103 40.914 1.00 0.00 H +ATOM 3669 HG2 ARG A 367 -26.444 12.884 42.947 1.00 0.00 H +ATOM 3670 HG3 ARG A 367 -25.723 11.404 42.317 1.00 0.00 H +ATOM 3671 HD2 ARG A 367 -24.178 13.980 42.800 1.00 0.00 H +ATOM 3672 HD3 ARG A 367 -24.272 12.659 43.958 1.00 0.00 H +ATOM 3673 HE ARG A 367 -23.502 11.504 41.584 1.00 0.00 H +ATOM 3674 HH11 ARG A 367 -22.212 13.980 43.735 1.00 0.00 H +ATOM 3675 HH12 ARG A 367 -20.543 13.650 43.327 1.00 0.00 H +ATOM 3676 HH21 ARG A 367 -21.320 11.078 41.057 1.00 0.00 H +ATOM 3677 HH22 ARG A 367 -20.036 12.001 41.805 1.00 0.00 H +ATOM 3678 N PHE A 368 -27.852 14.463 39.014 1.00 18.66 N +ATOM 3679 CA PHE A 368 -28.159 15.342 37.898 1.00 18.19 C +ATOM 3680 C PHE A 368 -27.719 16.776 38.194 1.00 20.17 C +ATOM 3681 O PHE A 368 -27.791 17.219 39.357 1.00 18.88 O +ATOM 3682 CB PHE A 368 -29.661 15.363 37.641 1.00 19.81 C +ATOM 3683 CG PHE A 368 -30.262 14.013 37.483 1.00 18.45 C +ATOM 3684 CD1 PHE A 368 -30.220 13.373 36.255 1.00 20.58 C +ATOM 3685 CD2 PHE A 368 -30.875 13.381 38.553 1.00 25.02 C +ATOM 3686 CE1 PHE A 368 -30.777 12.114 36.099 1.00 20.73 C +ATOM 3687 CE2 PHE A 368 -31.431 12.124 38.400 1.00 27.04 C +ATOM 3688 CZ PHE A 368 -31.381 11.495 37.166 1.00 23.04 C +ATOM 3689 H PHE A 368 -28.119 14.787 39.933 1.00 0.00 H +ATOM 3690 HA PHE A 368 -27.646 14.984 37.006 1.00 0.00 H +ATOM 3691 HB2 PHE A 368 -30.160 15.888 38.456 1.00 0.00 H +ATOM 3692 HB3 PHE A 368 -29.867 15.957 36.751 1.00 0.00 H +ATOM 3693 HD1 PHE A 368 -29.751 13.855 35.410 1.00 0.00 H +ATOM 3694 HD2 PHE A 368 -30.921 13.870 39.515 1.00 0.00 H +ATOM 3695 HE1 PHE A 368 -30.736 11.620 35.139 1.00 0.00 H +ATOM 3696 HE2 PHE A 368 -31.902 11.636 39.240 1.00 0.00 H +ATOM 3697 HZ PHE A 368 -31.819 10.515 37.045 1.00 0.00 H +ATOM 3698 N PRO A 369 -27.304 17.516 37.147 1.00 18.70 N +ATOM 3699 CA PRO A 369 -27.099 18.959 37.320 1.00 17.32 C +ATOM 3700 C PRO A 369 -28.403 19.611 37.755 1.00 19.84 C +ATOM 3701 O PRO A 369 -29.479 19.189 37.336 1.00 20.02 O +ATOM 3702 CB PRO A 369 -26.652 19.452 35.932 1.00 19.91 C +ATOM 3703 CG PRO A 369 -26.800 18.313 34.999 1.00 19.69 C +ATOM 3704 CD PRO A 369 -27.039 17.065 35.766 1.00 16.98 C +ATOM 3705 HA PRO A 369 -26.318 19.145 38.057 1.00 0.00 H +ATOM 3706 HB2 PRO A 369 -27.298 20.269 35.612 1.00 0.00 H +ATOM 3707 HB3 PRO A 369 -25.605 19.753 35.974 1.00 0.00 H +ATOM 3708 HG2 PRO A 369 -27.643 18.497 34.333 1.00 0.00 H +ATOM 3709 HG3 PRO A 369 -25.890 18.207 34.408 1.00 0.00 H +ATOM 3710 HD2 PRO A 369 -27.924 16.564 35.374 1.00 0.00 H +ATOM 3711 HD3 PRO A 369 -26.136 16.454 35.752 1.00 0.00 H +ATOM 3712 N ARG A 370 -28.310 20.620 38.616 1.00 20.25 N +ATOM 3713 CA ARG A 370 -29.492 21.175 39.265 1.00 20.02 C +ATOM 3714 C ARG A 370 -30.333 22.112 38.411 1.00 22.02 C +ATOM 3715 O ARG A 370 -31.331 22.628 38.893 1.00 24.18 O +ATOM 3716 CB ARG A 370 -29.087 21.845 40.579 1.00 22.91 C +ATOM 3717 CG ARG A 370 -28.469 20.870 41.557 1.00 24.25 C +ATOM 3718 CD ARG A 370 -29.504 19.897 42.046 1.00 30.01 C +ATOM 3719 NE ARG A 370 -28.959 18.832 42.875 1.00 26.39 N +ATOM 3720 CZ ARG A 370 -29.559 18.349 43.959 1.00 22.58 C +ATOM 3721 NH1 ARG A 370 -30.716 18.854 44.366 1.00 26.89 N1+ +ATOM 3722 NH2 ARG A 370 -28.998 17.376 44.650 1.00 24.96 N1+ +ATOM 3723 H ARG A 370 -27.407 21.018 38.832 1.00 0.00 H +ATOM 3724 HA ARG A 370 -30.131 20.332 39.527 1.00 0.00 H +ATOM 3725 HB2 ARG A 370 -28.380 22.649 40.373 1.00 0.00 H +ATOM 3726 HB3 ARG A 370 -29.962 22.309 41.034 1.00 0.00 H +ATOM 3727 HG2 ARG A 370 -27.662 20.326 41.066 1.00 0.00 H +ATOM 3728 HG3 ARG A 370 -28.057 21.418 42.404 1.00 0.00 H +ATOM 3729 HD2 ARG A 370 -30.270 20.434 42.605 1.00 0.00 H +ATOM 3730 HD3 ARG A 370 -30.023 19.461 41.192 1.00 0.00 H +ATOM 3731 HE ARG A 370 -28.068 18.458 42.582 1.00 0.00 H +ATOM 3732 HH11 ARG A 370 -31.146 19.610 43.852 1.00 0.00 H +ATOM 3733 HH12 ARG A 370 -31.167 18.483 45.190 1.00 0.00 H +ATOM 3734 HH21 ARG A 370 -28.110 16.995 44.356 1.00 0.00 H +ATOM 3735 HH22 ARG A 370 -29.457 17.012 45.473 1.00 0.00 H +ATOM 3736 N THR A 371 -29.946 22.297 37.147 1.00 21.48 N +ATOM 3737 CA THR A 371 -30.736 23.039 36.156 1.00 23.32 C +ATOM 3738 C THR A 371 -31.720 22.142 35.401 1.00 22.66 C +ATOM 3739 O THR A 371 -32.618 22.639 34.724 1.00 25.01 O +ATOM 3740 CB THR A 371 -29.815 23.703 35.143 1.00 21.64 C +ATOM 3741 CG2 THR A 371 -29.168 24.930 35.761 1.00 28.96 C +ATOM 3742 OG1 THR A 371 -28.808 22.775 34.742 1.00 24.02 O +ATOM 3743 H THR A 371 -29.066 21.917 36.827 1.00 0.00 H +ATOM 3744 HA THR A 371 -31.300 23.815 36.673 1.00 0.00 H +ATOM 3745 HB THR A 371 -30.396 24.003 34.271 1.00 0.00 H +ATOM 3746 HG1 THR A 371 -28.225 23.191 34.103 1.00 0.00 H +ATOM 3747 HG21 THR A 371 -28.510 25.401 35.031 1.00 0.00 H +ATOM 3748 HG22 THR A 371 -29.941 25.637 36.061 1.00 0.00 H +ATOM 3749 HG23 THR A 371 -28.588 24.634 36.635 1.00 0.00 H +ATOM 3750 N LEU A 372 -31.558 20.824 35.526 1.00 21.81 N +ATOM 3751 CA LEU A 372 -32.410 19.872 34.806 1.00 19.76 C +ATOM 3752 C LEU A 372 -33.843 19.936 35.307 1.00 21.35 C +ATOM 3753 O LEU A 372 -34.096 19.898 36.506 1.00 21.65 O +ATOM 3754 CB LEU A 372 -31.850 18.442 34.918 1.00 19.57 C +ATOM 3755 CG LEU A 372 -32.484 17.382 34.005 1.00 20.42 C +ATOM 3756 CD1 LEU A 372 -32.226 17.699 32.549 1.00 18.14 C +ATOM 3757 CD2 LEU A 372 -31.952 15.998 34.328 1.00 24.89 C +ATOM 3758 H LEU A 372 -30.834 20.459 36.128 1.00 0.00 H +ATOM 3759 HA LEU A 372 -32.410 20.151 33.752 1.00 0.00 H +ATOM 3760 HB2 LEU A 372 -30.773 18.464 34.749 1.00 0.00 H +ATOM 3761 HB3 LEU A 372 -31.918 18.110 35.954 1.00 0.00 H +ATOM 3762 HG LEU A 372 -33.561 17.384 34.172 1.00 0.00 H +ATOM 3763 HD11 LEU A 372 -32.685 16.934 31.923 1.00 0.00 H +ATOM 3764 HD12 LEU A 372 -32.655 18.671 32.307 1.00 0.00 H +ATOM 3765 HD13 LEU A 372 -31.152 17.721 32.366 1.00 0.00 H +ATOM 3766 HD21 LEU A 372 -32.417 15.266 33.667 1.00 0.00 H +ATOM 3767 HD22 LEU A 372 -30.872 15.981 34.185 1.00 0.00 H +ATOM 3768 HD23 LEU A 372 -32.185 15.751 35.364 1.00 0.00 H +ATOM 3769 N GLY A 373 -34.788 20.022 34.386 1.00 18.88 N +ATOM 3770 CA GLY A 373 -36.200 20.116 34.750 1.00 18.57 C +ATOM 3771 C GLY A 373 -36.741 18.839 35.369 1.00 21.66 C +ATOM 3772 O GLY A 373 -36.143 17.762 35.228 1.00 17.99 O +ATOM 3773 H GLY A 373 -34.540 20.024 33.407 1.00 0.00 H +ATOM 3774 HA2 GLY A 373 -36.340 20.943 35.446 1.00 0.00 H +ATOM 3775 HA3 GLY A 373 -36.786 20.366 33.866 1.00 0.00 H +ATOM 3776 N PRO A 374 -37.885 18.940 36.062 1.00 22.13 N +ATOM 3777 CA PRO A 374 -38.427 17.819 36.838 1.00 21.59 C +ATOM 3778 C PRO A 374 -38.842 16.605 36.008 1.00 18.75 C +ATOM 3779 O PRO A 374 -38.580 15.475 36.413 1.00 17.65 O +ATOM 3780 CB PRO A 374 -39.625 18.431 37.570 1.00 23.15 C +ATOM 3781 CG PRO A 374 -39.963 19.674 36.810 1.00 25.55 C +ATOM 3782 CD PRO A 374 -38.706 20.161 36.193 1.00 22.29 C +ATOM 3783 HA PRO A 374 -37.685 17.507 37.573 1.00 0.00 H +ATOM 3784 HB2 PRO A 374 -40.467 17.740 37.526 1.00 0.00 H +ATOM 3785 HB3 PRO A 374 -39.331 18.697 38.586 1.00 0.00 H +ATOM 3786 HG2 PRO A 374 -40.683 19.436 36.027 1.00 0.00 H +ATOM 3787 HG3 PRO A 374 -40.345 20.428 37.499 1.00 0.00 H +ATOM 3788 HD2 PRO A 374 -38.922 20.558 35.201 1.00 0.00 H +ATOM 3789 HD3 PRO A 374 -38.214 20.854 36.876 1.00 0.00 H +ATOM 3790 N GLU A 375 -39.461 16.833 34.853 1.00 20.40 N +ATOM 3791 CA GLU A 375 -39.884 15.719 33.984 1.00 21.12 C +ATOM 3792 C GLU A 375 -38.692 14.964 33.381 1.00 17.37 C +ATOM 3793 O GLU A 375 -38.706 13.741 33.313 1.00 15.40 O +ATOM 3794 CB GLU A 375 -40.835 16.197 32.896 1.00 20.93 C +ATOM 3795 CG GLU A 375 -42.091 16.898 33.434 1.00 25.41 C +ATOM 3796 CD GLU A 375 -41.882 18.396 33.756 1.00 40.82 C +ATOM 3797 OE1 GLU A 375 -40.777 18.957 33.505 1.00 37.41 O +ATOM 3798 OE2 GLU A 375 -42.834 19.019 34.281 1.00 46.00 O1- +ATOM 3799 H GLU A 375 -39.648 17.781 34.559 1.00 0.00 H +ATOM 3800 HA GLU A 375 -40.433 15.013 34.607 1.00 0.00 H +ATOM 3801 HB2 GLU A 375 -40.305 16.871 32.223 1.00 0.00 H +ATOM 3802 HB3 GLU A 375 -41.131 15.350 32.277 1.00 0.00 H +ATOM 3803 HG2 GLU A 375 -42.901 16.793 32.712 1.00 0.00 H +ATOM 3804 HG3 GLU A 375 -42.438 16.381 34.329 1.00 0.00 H +ATOM 3805 N ALA A 376 -37.653 15.702 32.983 1.00 15.97 N +ATOM 3806 CA ALA A 376 -36.410 15.108 32.467 1.00 16.82 C +ATOM 3807 C ALA A 376 -35.696 14.282 33.555 1.00 17.83 C +ATOM 3808 O ALA A 376 -35.205 13.167 33.305 1.00 14.68 O +ATOM 3809 CB ALA A 376 -35.506 16.205 31.941 1.00 15.29 C +ATOM 3810 H ALA A 376 -37.702 16.710 33.030 1.00 0.00 H +ATOM 3811 HA ALA A 376 -36.663 14.444 31.640 1.00 0.00 H +ATOM 3812 HB1 ALA A 376 -34.585 15.765 31.559 1.00 0.00 H +ATOM 3813 HB2 ALA A 376 -36.013 16.741 31.138 1.00 0.00 H +ATOM 3814 HB3 ALA A 376 -35.269 16.899 32.747 1.00 0.00 H +ATOM 3815 N LYS A 377 -35.617 14.838 34.763 1.00 16.68 N +ATOM 3816 CA LYS A 377 -35.069 14.119 35.919 0.50 18.21 C +ATOM 3817 C LYS A 377 -35.826 12.815 36.191 1.00 18.23 C +ATOM 3818 O LYS A 377 -35.227 11.771 36.435 1.00 18.56 O +ATOM 3819 CB LYS A 377 -35.113 15.002 37.173 0.50 19.08 C +ATOM 3820 CG LYS A 377 -33.984 16.002 37.271 0.50 21.07 C +ATOM 3821 CD LYS A 377 -34.036 16.805 38.568 0.50 23.20 C +ATOM 3822 CE LYS A 377 -35.273 17.688 38.626 0.50 24.91 C +ATOM 3823 NZ LYS A 377 -35.209 18.731 39.691 0.50 32.32 N1+ +ATOM 3824 H LYS A 377 -35.940 15.784 34.906 1.00 0.00 H +ATOM 3825 HA LYS A 377 -34.028 13.874 35.708 0.50 0.00 H +ATOM 3826 HB2 LYS A 377 -36.066 15.529 37.210 0.50 0.00 H +ATOM 3827 HB3 LYS A 377 -35.113 14.369 38.060 0.50 0.00 H +ATOM 3828 HG2 LYS A 377 -33.030 15.479 37.207 0.50 0.00 H +ATOM 3829 HG3 LYS A 377 -34.028 16.683 36.421 0.50 0.00 H +ATOM 3830 HD2 LYS A 377 -34.038 16.122 39.418 0.50 0.00 H +ATOM 3831 HD3 LYS A 377 -33.143 17.426 38.647 0.50 0.00 H +ATOM 3832 HE2 LYS A 377 -35.421 18.168 37.658 0.50 0.00 H +ATOM 3833 HE3 LYS A 377 -36.155 17.066 38.781 0.50 0.00 H +ATOM 3834 HZ1 LYS A 377 -36.056 19.280 39.676 0.50 0.00 H +ATOM 3835 HZ2 LYS A 377 -35.112 18.287 40.593 0.50 0.00 H +ATOM 3836 HZ3 LYS A 377 -34.415 19.333 39.526 0.50 0.00 H +ATOM 3837 N SER A 378 -37.152 12.892 36.151 1.00 15.80 N +ATOM 3838 CA SER A 378 -38.030 11.739 36.321 1.00 16.67 C +ATOM 3839 C SER A 378 -37.797 10.654 35.245 1.00 13.37 C +ATOM 3840 O SER A 378 -37.601 9.485 35.563 1.00 15.48 O +ATOM 3841 CB SER A 378 -39.487 12.193 36.329 1.00 16.51 C +ATOM 3842 OG SER A 378 -40.368 11.089 36.418 1.00 17.75 O +ATOM 3843 H SER A 378 -37.602 13.783 35.996 1.00 0.00 H +ATOM 3844 HA SER A 378 -37.814 11.296 37.293 1.00 0.00 H +ATOM 3845 HB2 SER A 378 -39.655 12.860 37.175 1.00 0.00 H +ATOM 3846 HB3 SER A 378 -39.698 12.753 35.418 1.00 0.00 H +ATOM 3847 HG SER A 378 -41.275 11.403 36.421 1.00 0.00 H +ATOM 3848 N LEU A 379 -37.756 11.070 33.987 1.00 13.89 N +ATOM 3849 CA LEU A 379 -37.499 10.137 32.888 1.00 14.48 C +ATOM 3850 C LEU A 379 -36.153 9.426 33.060 1.00 14.72 C +ATOM 3851 O LEU A 379 -36.076 8.204 33.003 1.00 15.79 O +ATOM 3852 CB LEU A 379 -37.556 10.846 31.540 1.00 15.43 C +ATOM 3853 CG LEU A 379 -37.260 9.915 30.354 1.00 12.33 C +ATOM 3854 CD1 LEU A 379 -38.470 9.083 29.999 1.00 15.85 C +ATOM 3855 CD2 LEU A 379 -36.753 10.671 29.147 1.00 16.72 C +ATOM 3856 H LEU A 379 -37.903 12.046 33.773 1.00 0.00 H +ATOM 3857 HA LEU A 379 -38.282 9.379 32.902 1.00 0.00 H +ATOM 3858 HB2 LEU A 379 -38.540 11.297 31.409 1.00 0.00 H +ATOM 3859 HB3 LEU A 379 -36.847 11.674 31.536 1.00 0.00 H +ATOM 3860 HG LEU A 379 -36.472 9.230 30.665 1.00 0.00 H +ATOM 3861 HD11 LEU A 379 -38.231 8.434 29.157 1.00 0.00 H +ATOM 3862 HD12 LEU A 379 -38.757 8.474 30.856 1.00 0.00 H +ATOM 3863 HD13 LEU A 379 -39.296 9.740 29.728 1.00 0.00 H +ATOM 3864 HD21 LEU A 379 -36.558 9.971 28.335 1.00 0.00 H +ATOM 3865 HD22 LEU A 379 -37.503 11.395 28.830 1.00 0.00 H +ATOM 3866 HD23 LEU A 379 -35.832 11.193 29.405 1.00 0.00 H +ATOM 3867 N LEU A 380 -35.094 10.208 33.247 1.00 15.05 N +ATOM 3868 CA LEU A 380 -33.756 9.643 33.393 1.00 12.96 C +ATOM 3869 C LEU A 380 -33.594 8.779 34.624 1.00 13.13 C +ATOM 3870 O LEU A 380 -32.961 7.741 34.552 1.00 14.30 O +ATOM 3871 CB LEU A 380 -32.708 10.739 33.383 1.00 13.36 C +ATOM 3872 CG LEU A 380 -32.667 11.565 32.090 1.00 10.72 C +ATOM 3873 CD1 LEU A 380 -31.693 12.717 32.285 1.00 14.82 C +ATOM 3874 CD2 LEU A 380 -32.341 10.747 30.835 1.00 13.50 C +ATOM 3875 H LEU A 380 -35.208 11.211 33.290 1.00 0.00 H +ATOM 3876 HA LEU A 380 -33.573 9.010 32.525 1.00 0.00 H +ATOM 3877 HB2 LEU A 380 -32.873 11.404 34.231 1.00 0.00 H +ATOM 3878 HB3 LEU A 380 -31.726 10.301 33.563 1.00 0.00 H +ATOM 3879 HG LEU A 380 -33.658 11.997 31.948 1.00 0.00 H +ATOM 3880 HD11 LEU A 380 -31.651 13.316 31.375 1.00 0.00 H +ATOM 3881 HD12 LEU A 380 -32.028 13.340 33.114 1.00 0.00 H +ATOM 3882 HD13 LEU A 380 -30.701 12.322 32.506 1.00 0.00 H +ATOM 3883 HD21 LEU A 380 -32.331 11.404 29.965 1.00 0.00 H +ATOM 3884 HD22 LEU A 380 -31.362 10.281 30.949 1.00 0.00 H +ATOM 3885 HD23 LEU A 380 -33.097 9.974 30.698 1.00 0.00 H +ATOM 3886 N SER A 381 -34.180 9.202 35.739 1.00 14.46 N +ATOM 3887 CA SER A 381 -34.208 8.377 36.950 1.00 17.46 C +ATOM 3888 C SER A 381 -34.855 7.003 36.702 1.00 17.79 C +ATOM 3889 O SER A 381 -34.353 5.984 37.164 1.00 17.13 O +ATOM 3890 CB SER A 381 -34.945 9.101 38.083 1.00 16.83 C +ATOM 3891 OG SER A 381 -34.243 10.267 38.446 1.00 21.75 O +ATOM 3892 H SER A 381 -34.620 10.111 35.765 1.00 0.00 H +ATOM 3893 HA SER A 381 -33.179 8.212 37.269 1.00 0.00 H +ATOM 3894 HB2 SER A 381 -35.948 9.370 37.750 1.00 0.00 H +ATOM 3895 HB3 SER A 381 -35.022 8.440 38.946 1.00 0.00 H +ATOM 3896 HG SER A 381 -34.710 10.715 39.155 1.00 0.00 H +ATOM 3897 N GLY A 382 -35.956 6.992 35.957 1.00 17.14 N +ATOM 3898 CA GLY A 382 -36.644 5.760 35.619 1.00 16.13 C +ATOM 3899 C GLY A 382 -35.879 4.877 34.650 1.00 14.71 C +ATOM 3900 O GLY A 382 -35.852 3.647 34.789 1.00 15.16 O +ATOM 3901 H GLY A 382 -36.338 7.859 35.608 1.00 0.00 H +ATOM 3902 HA2 GLY A 382 -36.852 5.200 36.531 1.00 0.00 H +ATOM 3903 HA3 GLY A 382 -37.622 5.996 35.199 1.00 0.00 H +ATOM 3904 N LEU A 383 -35.231 5.496 33.661 1.00 15.57 N +ATOM 3905 CA LEU A 383 -34.480 4.723 32.676 1.00 14.72 C +ATOM 3906 C LEU A 383 -33.188 4.157 33.258 1.00 12.29 C +ATOM 3907 O LEU A 383 -32.709 3.126 32.813 1.00 11.66 O +ATOM 3908 CB LEU A 383 -34.167 5.559 31.434 1.00 13.67 C +ATOM 3909 CG LEU A 383 -35.337 6.006 30.562 1.00 11.71 C +ATOM 3910 CD1 LEU A 383 -34.882 7.067 29.566 1.00 11.81 C +ATOM 3911 CD2 LEU A 383 -35.993 4.809 29.843 1.00 13.46 C +ATOM 3912 H LEU A 383 -35.259 6.503 33.592 1.00 0.00 H +ATOM 3913 HA LEU A 383 -35.102 3.884 32.365 1.00 0.00 H +ATOM 3914 HB2 LEU A 383 -33.587 6.433 31.729 1.00 0.00 H +ATOM 3915 HB3 LEU A 383 -33.445 5.025 30.817 1.00 0.00 H +ATOM 3916 HG LEU A 383 -36.086 6.457 31.213 1.00 0.00 H +ATOM 3917 HD11 LEU A 383 -35.728 7.376 28.951 1.00 0.00 H +ATOM 3918 HD12 LEU A 383 -34.492 7.930 30.106 1.00 0.00 H +ATOM 3919 HD13 LEU A 383 -34.100 6.655 28.927 1.00 0.00 H +ATOM 3920 HD21 LEU A 383 -36.823 5.163 29.231 1.00 0.00 H +ATOM 3921 HD22 LEU A 383 -35.256 4.318 29.207 1.00 0.00 H +ATOM 3922 HD23 LEU A 383 -36.364 4.100 30.582 1.00 0.00 H +ATOM 3923 N LEU A 384 -32.655 4.820 34.292 1.00 13.25 N +ATOM 3924 CA LEU A 384 -31.371 4.441 34.869 1.00 13.88 C +ATOM 3925 C LEU A 384 -31.538 3.754 36.225 1.00 15.36 C +ATOM 3926 O LEU A 384 -30.617 3.710 37.023 1.00 16.88 O +ATOM 3927 CB LEU A 384 -30.452 5.656 34.934 1.00 13.85 C +ATOM 3928 CG LEU A 384 -30.070 6.212 33.560 1.00 11.80 C +ATOM 3929 CD1 LEU A 384 -29.343 7.535 33.707 1.00 14.41 C +ATOM 3930 CD2 LEU A 384 -29.241 5.213 32.749 1.00 15.59 C +ATOM 3931 H LEU A 384 -33.145 5.607 34.694 1.00 0.00 H +ATOM 3932 HA LEU A 384 -30.910 3.720 34.193 1.00 0.00 H +ATOM 3933 HB2 LEU A 384 -30.930 6.440 35.521 1.00 0.00 H +ATOM 3934 HB3 LEU A 384 -29.547 5.396 35.483 1.00 0.00 H +ATOM 3935 HG LEU A 384 -30.992 6.400 33.011 1.00 0.00 H +ATOM 3936 HD11 LEU A 384 -29.079 7.916 32.721 1.00 0.00 H +ATOM 3937 HD12 LEU A 384 -29.991 8.252 34.212 1.00 0.00 H +ATOM 3938 HD13 LEU A 384 -28.437 7.389 34.294 1.00 0.00 H +ATOM 3939 HD21 LEU A 384 -28.992 5.648 31.781 1.00 0.00 H +ATOM 3940 HD22 LEU A 384 -28.323 4.979 33.289 1.00 0.00 H +ATOM 3941 HD23 LEU A 384 -29.817 4.300 32.599 1.00 0.00 H +ATOM 3942 N LYS A 385 -32.710 3.179 36.464 1.00 13.86 N +ATOM 3943 CA LYS A 385 -32.857 2.276 37.602 1.00 14.19 C +ATOM 3944 C LYS A 385 -31.958 1.069 37.367 1.00 17.32 C +ATOM 3945 O LYS A 385 -31.925 0.501 36.280 1.00 16.93 O +ATOM 3946 CB LYS A 385 -34.297 1.793 37.782 1.00 13.82 C +ATOM 3947 CG LYS A 385 -35.299 2.845 38.171 1.00 18.25 C +ATOM 3948 CD LYS A 385 -35.128 3.239 39.618 1.00 22.84 C +ATOM 3949 CE LYS A 385 -35.970 4.450 39.972 1.00 30.26 C +ATOM 3950 NZ LYS A 385 -37.426 4.178 39.786 1.00 42.65 N1+ +ATOM 3951 H LYS A 385 -33.497 3.366 35.860 1.00 0.00 H +ATOM 3952 HA LYS A 385 -32.536 2.789 38.509 1.00 0.00 H +ATOM 3953 HB2 LYS A 385 -34.628 1.301 36.867 1.00 0.00 H +ATOM 3954 HB3 LYS A 385 -34.317 0.988 38.517 1.00 0.00 H +ATOM 3955 HG2 LYS A 385 -35.168 3.723 37.538 1.00 0.00 H +ATOM 3956 HG3 LYS A 385 -36.307 2.461 38.016 1.00 0.00 H +ATOM 3957 HD2 LYS A 385 -35.409 2.402 40.257 1.00 0.00 H +ATOM 3958 HD3 LYS A 385 -34.078 3.458 39.813 1.00 0.00 H +ATOM 3959 HE2 LYS A 385 -35.783 4.731 41.008 1.00 0.00 H +ATOM 3960 HE3 LYS A 385 -35.675 5.292 39.346 1.00 0.00 H +ATOM 3961 HZ1 LYS A 385 -37.957 5.002 40.030 1.00 0.00 H +ATOM 3962 HZ2 LYS A 385 -37.603 3.937 38.821 1.00 0.00 H +ATOM 3963 HZ3 LYS A 385 -37.704 3.411 40.381 1.00 0.00 H +ATOM 3964 N LYS A 386 -31.234 0.673 38.400 1.00 17.01 N +ATOM 3965 CA LYS A 386 -30.247 -0.390 38.289 1.00 16.85 C +ATOM 3966 C LYS A 386 -30.886 -1.779 38.201 1.00 16.43 C +ATOM 3967 O LYS A 386 -30.343 -2.688 37.551 1.00 19.59 O +ATOM 3968 CB LYS A 386 -29.272 -0.293 39.457 1.00 18.57 C +ATOM 3969 CG LYS A 386 -28.502 1.022 39.464 1.00 16.95 C +ATOM 3970 CD LYS A 386 -27.235 0.920 40.251 1.00 22.07 C +ATOM 3971 CE LYS A 386 -26.595 2.281 40.512 1.00 21.11 C +ATOM 3972 NZ LYS A 386 -26.132 2.996 39.294 1.00 16.95 N1+ +ATOM 3973 H LYS A 386 -31.358 1.112 39.301 1.00 0.00 H +ATOM 3974 HA LYS A 386 -29.683 -0.225 37.371 1.00 0.00 H +ATOM 3975 HB2 LYS A 386 -29.818 -0.398 40.395 1.00 0.00 H +ATOM 3976 HB3 LYS A 386 -28.569 -1.125 39.412 1.00 0.00 H +ATOM 3977 HG2 LYS A 386 -28.270 1.312 38.439 1.00 0.00 H +ATOM 3978 HG3 LYS A 386 -29.129 1.807 39.886 1.00 0.00 H +ATOM 3979 HD2 LYS A 386 -27.438 0.427 41.202 1.00 0.00 H +ATOM 3980 HD3 LYS A 386 -26.528 0.283 39.719 1.00 0.00 H +ATOM 3981 HE2 LYS A 386 -27.298 2.912 41.055 1.00 0.00 H +ATOM 3982 HE3 LYS A 386 -25.758 2.160 41.199 1.00 0.00 H +ATOM 3983 HZ1 LYS A 386 -25.724 3.882 39.557 1.00 0.00 H +ATOM 3984 HZ2 LYS A 386 -25.440 2.436 38.817 1.00 0.00 H +ATOM 3985 HZ3 LYS A 386 -26.917 3.157 38.679 1.00 0.00 H +ATOM 3986 N ASP A 387 -32.048 -1.922 38.823 1.00 17.95 N +ATOM 3987 CA ASP A 387 -32.813 -3.164 38.745 1.00 20.00 C +ATOM 3988 C ASP A 387 -33.717 -3.104 37.517 1.00 17.57 C +ATOM 3989 O ASP A 387 -34.637 -2.275 37.474 1.00 18.20 O +ATOM 3990 CB ASP A 387 -33.635 -3.346 40.023 1.00 20.05 C +ATOM 3991 CG ASP A 387 -34.497 -4.598 40.005 1.00 24.95 C +ATOM 3992 OD1 ASP A 387 -34.447 -5.381 39.030 1.00 23.62 O +ATOM 3993 OD2 ASP A 387 -35.230 -4.802 40.996 1.00 28.63 O1- +ATOM 3994 H ASP A 387 -32.426 -1.161 39.368 1.00 0.00 H +ATOM 3995 HA ASP A 387 -32.124 -4.002 38.641 1.00 0.00 H +ATOM 3996 HB2 ASP A 387 -32.965 -3.380 40.882 1.00 0.00 H +ATOM 3997 HB3 ASP A 387 -34.269 -2.472 40.173 1.00 0.00 H +ATOM 3998 N PRO A 388 -33.459 -3.968 36.512 1.00 18.62 N +ATOM 3999 CA PRO A 388 -34.288 -3.879 35.300 1.00 18.92 C +ATOM 4000 C PRO A 388 -35.787 -4.063 35.550 1.00 19.14 C +ATOM 4001 O PRO A 388 -36.606 -3.494 34.821 1.00 19.33 O +ATOM 4002 CB PRO A 388 -33.728 -4.967 34.373 1.00 18.55 C +ATOM 4003 CG PRO A 388 -32.843 -5.825 35.226 1.00 20.51 C +ATOM 4004 CD PRO A 388 -32.413 -5.010 36.407 1.00 18.25 C +ATOM 4005 HA PRO A 388 -34.127 -2.906 34.836 1.00 0.00 H +ATOM 4006 HB2 PRO A 388 -34.549 -5.569 33.983 1.00 0.00 H +ATOM 4007 HB3 PRO A 388 -33.133 -4.502 33.587 1.00 0.00 H +ATOM 4008 HG2 PRO A 388 -33.403 -6.695 35.570 1.00 0.00 H +ATOM 4009 HG3 PRO A 388 -31.966 -6.124 34.653 1.00 0.00 H +ATOM 4010 HD2 PRO A 388 -32.434 -5.633 37.301 1.00 0.00 H +ATOM 4011 HD3 PRO A 388 -31.455 -4.538 36.189 1.00 0.00 H +ATOM 4012 N LYS A 389 -36.149 -4.783 36.618 1.00 22.16 N +ATOM 4013 CA LYS A 389 -37.559 -4.965 36.994 1.00 24.19 C +ATOM 4014 C LYS A 389 -38.240 -3.683 37.450 1.00 22.63 C +ATOM 4015 O LYS A 389 -39.454 -3.564 37.338 1.00 22.37 O +ATOM 4016 CB LYS A 389 -37.688 -6.012 38.112 1.00 28.21 C +ATOM 4017 CG LYS A 389 -37.362 -7.431 37.690 1.00 36.18 C +ATOM 4018 CD LYS A 389 -38.486 -8.031 36.852 1.00 46.75 C +ATOM 4019 CE LYS A 389 -38.134 -9.415 36.307 1.00 51.94 C +ATOM 4020 NZ LYS A 389 -38.624 -9.595 34.898 1.00 53.01 N1+ +ATOM 4021 H LYS A 389 -35.445 -5.221 37.194 1.00 0.00 H +ATOM 4022 HA LYS A 389 -38.094 -5.338 36.121 1.00 0.00 H +ATOM 4023 HB2 LYS A 389 -37.049 -5.728 38.948 1.00 0.00 H +ATOM 4024 HB3 LYS A 389 -38.698 -5.980 38.521 1.00 0.00 H +ATOM 4025 HG2 LYS A 389 -36.437 -7.434 37.113 1.00 0.00 H +ATOM 4026 HG3 LYS A 389 -37.202 -8.045 38.576 1.00 0.00 H +ATOM 4027 HD2 LYS A 389 -39.391 -8.099 37.455 1.00 0.00 H +ATOM 4028 HD3 LYS A 389 -38.716 -7.363 36.022 1.00 0.00 H +ATOM 4029 HE2 LYS A 389 -37.053 -9.552 36.335 1.00 0.00 H +ATOM 4030 HE3 LYS A 389 -38.577 -10.180 36.945 1.00 0.00 H +ATOM 4031 HZ1 LYS A 389 -38.375 -10.517 34.570 1.00 0.00 H +ATOM 4032 HZ2 LYS A 389 -39.628 -9.489 34.874 1.00 0.00 H +ATOM 4033 HZ3 LYS A 389 -38.198 -8.900 34.302 1.00 0.00 H +ATOM 4034 N GLN A 390 -37.451 -2.745 37.973 1.00 19.99 N +ATOM 4035 CA GLN A 390 -37.925 -1.440 38.426 1.00 22.95 C +ATOM 4036 C GLN A 390 -37.754 -0.326 37.384 1.00 21.28 C +ATOM 4037 O GLN A 390 -38.225 0.789 37.584 1.00 22.90 O +ATOM 4038 CB GLN A 390 -37.164 -1.037 39.685 1.00 23.43 C +ATOM 4039 CG GLN A 390 -37.441 -1.899 40.899 1.00 30.73 C +ATOM 4040 CD GLN A 390 -36.450 -1.623 42.020 1.00 44.85 C +ATOM 4041 NE2 GLN A 390 -36.243 -2.618 42.885 1.00 47.57 N +ATOM 4042 OE1 GLN A 390 -35.863 -0.530 42.102 1.00 47.96 O +ATOM 4043 H GLN A 390 -36.461 -2.917 38.075 1.00 0.00 H +ATOM 4044 HA GLN A 390 -38.983 -1.523 38.673 1.00 0.00 H +ATOM 4045 HB2 GLN A 390 -36.094 -1.041 39.477 1.00 0.00 H +ATOM 4046 HB3 GLN A 390 -37.386 0.003 39.923 1.00 0.00 H +ATOM 4047 HG2 GLN A 390 -38.454 -1.709 41.255 1.00 0.00 H +ATOM 4048 HG3 GLN A 390 -37.386 -2.951 40.617 1.00 0.00 H +ATOM 4049 HE21 GLN A 390 -36.733 -3.494 42.774 1.00 0.00 H +ATOM 4050 HE22 GLN A 390 -35.596 -2.495 43.651 1.00 0.00 H +ATOM 4051 N ARG A 391 -37.067 -0.634 36.286 1.00 19.14 N +ATOM 4052 CA ARG A 391 -36.777 0.344 35.239 1.00 17.99 C +ATOM 4053 C ARG A 391 -37.996 0.684 34.370 1.00 16.68 C +ATOM 4054 O ARG A 391 -38.839 -0.161 34.062 1.00 17.94 O +ATOM 4055 CB ARG A 391 -35.638 -0.188 34.368 1.00 17.08 C +ATOM 4056 CG ARG A 391 -35.008 0.805 33.355 1.00 12.76 C +ATOM 4057 CD ARG A 391 -33.824 0.165 32.646 1.00 11.79 C +ATOM 4058 NE ARG A 391 -32.810 -0.267 33.606 1.00 12.95 N +ATOM 4059 CZ ARG A 391 -32.047 -1.337 33.485 1.00 14.48 C +ATOM 4060 NH1 ARG A 391 -32.085 -2.082 32.390 1.00 16.40 N1+ +ATOM 4061 NH2 ARG A 391 -31.188 -1.649 34.441 1.00 13.95 N1+ +ATOM 4062 H ARG A 391 -36.724 -1.574 36.152 1.00 0.00 H +ATOM 4063 HA ARG A 391 -36.436 1.262 35.718 1.00 0.00 H +ATOM 4064 HB2 ARG A 391 -34.854 -0.591 35.009 1.00 0.00 H +ATOM 4065 HB3 ARG A 391 -35.979 -1.076 33.835 1.00 0.00 H +ATOM 4066 HG2 ARG A 391 -35.757 1.097 32.619 1.00 0.00 H +ATOM 4067 HG3 ARG A 391 -34.675 1.699 33.882 1.00 0.00 H +ATOM 4068 HD2 ARG A 391 -34.167 -0.694 32.070 1.00 0.00 H +ATOM 4069 HD3 ARG A 391 -33.385 0.882 31.953 1.00 0.00 H +ATOM 4070 HE ARG A 391 -32.717 0.331 34.415 1.00 0.00 H +ATOM 4071 HH11 ARG A 391 -32.705 -1.834 31.632 1.00 0.00 H +ATOM 4072 HH12 ARG A 391 -31.494 -2.898 32.313 1.00 0.00 H +ATOM 4073 HH21 ARG A 391 -31.116 -1.068 35.264 1.00 0.00 H +ATOM 4074 HH22 ARG A 391 -30.604 -2.468 34.348 1.00 0.00 H +ATOM 4075 N LEU A 392 -38.064 1.949 33.971 1.00 15.52 N +ATOM 4076 CA LEU A 392 -39.039 2.408 32.995 1.00 16.90 C +ATOM 4077 C LEU A 392 -38.791 1.654 31.685 1.00 17.16 C +ATOM 4078 O LEU A 392 -37.680 1.652 31.167 1.00 17.82 O +ATOM 4079 CB LEU A 392 -38.866 3.917 32.795 1.00 18.56 C +ATOM 4080 CG LEU A 392 -39.983 4.722 32.161 1.00 22.31 C +ATOM 4081 CD1 LEU A 392 -41.191 4.780 33.076 1.00 23.22 C +ATOM 4082 CD2 LEU A 392 -39.484 6.120 31.844 1.00 20.56 C +ATOM 4083 H LEU A 392 -37.423 2.633 34.348 1.00 0.00 H +ATOM 4084 HA LEU A 392 -40.046 2.198 33.355 1.00 0.00 H +ATOM 4085 HB2 LEU A 392 -38.598 4.373 33.748 1.00 0.00 H +ATOM 4086 HB3 LEU A 392 -37.942 4.098 32.245 1.00 0.00 H +ATOM 4087 HG LEU A 392 -40.275 4.238 31.229 1.00 0.00 H +ATOM 4088 HD11 LEU A 392 -41.980 5.363 32.600 1.00 0.00 H +ATOM 4089 HD12 LEU A 392 -41.551 3.769 33.267 1.00 0.00 H +ATOM 4090 HD13 LEU A 392 -40.911 5.250 34.019 1.00 0.00 H +ATOM 4091 HD21 LEU A 392 -40.288 6.698 31.388 1.00 0.00 H +ATOM 4092 HD22 LEU A 392 -39.162 6.609 32.764 1.00 0.00 H +ATOM 4093 HD23 LEU A 392 -38.644 6.058 31.152 1.00 0.00 H +ATOM 4094 N GLY A 393 -39.831 1.006 31.180 1.00 16.56 N +ATOM 4095 CA GLY A 393 -39.718 0.114 30.044 1.00 18.04 C +ATOM 4096 C GLY A 393 -39.434 -1.325 30.410 1.00 16.96 C +ATOM 4097 O GLY A 393 -39.393 -2.180 29.531 1.00 18.06 O +ATOM 4098 H GLY A 393 -40.747 1.125 31.589 1.00 0.00 H +ATOM 4099 HA2 GLY A 393 -40.633 0.163 29.454 1.00 0.00 H +ATOM 4100 HA3 GLY A 393 -38.937 0.477 29.376 1.00 0.00 H +ATOM 4101 N GLY A 394 -39.267 -1.608 31.708 1.00 17.18 N +ATOM 4102 CA GLY A 394 -38.790 -2.926 32.148 1.00 17.55 C +ATOM 4103 C GLY A 394 -39.870 -3.967 32.434 1.00 21.80 C +ATOM 4104 O GLY A 394 -39.565 -5.108 32.781 1.00 23.79 O +ATOM 4105 H GLY A 394 -39.470 -0.908 32.408 1.00 0.00 H +ATOM 4106 HA2 GLY A 394 -38.095 -3.323 31.408 1.00 0.00 H +ATOM 4107 HA3 GLY A 394 -38.164 -2.805 33.032 1.00 0.00 H +ATOM 4108 N GLY A 395 -41.123 -3.563 32.271 1.00 24.98 N +ATOM 4109 CA GLY A 395 -42.276 -4.435 32.473 1.00 25.22 C +ATOM 4110 C GLY A 395 -42.814 -4.973 31.168 1.00 25.26 C +ATOM 4111 O GLY A 395 -42.205 -4.811 30.109 1.00 22.98 O +ATOM 4112 H GLY A 395 -41.315 -2.611 31.994 1.00 0.00 H +ATOM 4113 HA2 GLY A 395 -41.993 -5.266 33.119 1.00 0.00 H +ATOM 4114 HA3 GLY A 395 -43.062 -3.883 32.989 1.00 0.00 H +ATOM 4115 N SER A 396 -43.974 -5.611 31.243 1.00 23.16 N +ATOM 4116 CA SER A 396 -44.543 -6.303 30.093 1.00 25.28 C +ATOM 4117 C SER A 396 -44.890 -5.348 28.953 1.00 25.36 C +ATOM 4118 O SER A 396 -44.891 -5.743 27.793 1.00 27.01 O +ATOM 4119 CB SER A 396 -45.786 -7.107 30.510 1.00 25.81 C +ATOM 4120 OG SER A 396 -46.862 -6.253 30.871 1.00 27.79 O +ATOM 4121 H SER A 396 -44.487 -5.626 32.113 1.00 0.00 H +ATOM 4122 HA SER A 396 -43.797 -7.007 29.724 1.00 0.00 H +ATOM 4123 HB2 SER A 396 -46.095 -7.751 29.686 1.00 0.00 H +ATOM 4124 HB3 SER A 396 -45.535 -7.751 31.353 1.00 0.00 H +ATOM 4125 HG SER A 396 -47.621 -6.783 31.125 1.00 0.00 H +ATOM 4126 N GLU A 397 -45.172 -4.092 29.279 1.00 24.32 N +ATOM 4127 CA GLU A 397 -45.537 -3.102 28.265 1.00 26.09 C +ATOM 4128 C GLU A 397 -44.352 -2.528 27.480 1.00 20.92 C +ATOM 4129 O GLU A 397 -44.555 -1.865 26.471 1.00 18.63 O +ATOM 4130 CB GLU A 397 -46.334 -1.972 28.908 1.00 28.76 C +ATOM 4131 CG GLU A 397 -47.756 -2.384 29.279 1.00 39.15 C +ATOM 4132 CD GLU A 397 -48.610 -2.653 28.052 1.00 47.66 C +ATOM 4133 OE1 GLU A 397 -48.724 -1.746 27.195 1.00 53.28 O +ATOM 4134 OE2 GLU A 397 -49.158 -3.771 27.939 1.00 56.46 O1- +ATOM 4135 H GLU A 397 -45.137 -3.801 30.246 1.00 0.00 H +ATOM 4136 HA GLU A 397 -46.193 -3.596 27.549 1.00 0.00 H +ATOM 4137 HB2 GLU A 397 -45.813 -1.624 29.800 1.00 0.00 H +ATOM 4138 HB3 GLU A 397 -46.369 -1.121 28.228 1.00 0.00 H +ATOM 4139 HG2 GLU A 397 -47.724 -3.278 29.901 1.00 0.00 H +ATOM 4140 HG3 GLU A 397 -48.217 -1.597 29.876 1.00 0.00 H +ATOM 4141 N ASP A 398 -43.133 -2.779 27.950 1.00 19.99 N +ATOM 4142 CA ASP A 398 -41.915 -2.416 27.233 1.00 18.27 C +ATOM 4143 C ASP A 398 -41.943 -0.908 26.884 1.00 18.66 C +ATOM 4144 O ASP A 398 -42.129 -0.071 27.783 1.00 17.31 O +ATOM 4145 CB ASP A 398 -41.736 -3.352 26.024 1.00 18.93 C +ATOM 4146 CG ASP A 398 -40.304 -3.400 25.518 1.00 21.09 C +ATOM 4147 OD1 ASP A 398 -39.351 -3.278 26.290 1.00 22.40 O +ATOM 4148 OD2 ASP A 398 -40.127 -3.610 24.320 1.00 27.67 O1- +ATOM 4149 H ASP A 398 -43.021 -3.241 28.841 1.00 0.00 H +ATOM 4150 HA ASP A 398 -41.074 -2.583 27.906 1.00 0.00 H +ATOM 4151 HB2 ASP A 398 -42.059 -4.358 26.294 1.00 0.00 H +ATOM 4152 HB3 ASP A 398 -42.395 -3.031 25.217 1.00 0.00 H +ATOM 4153 N ALA A 399 -41.792 -0.564 25.601 1.00 17.95 N +ATOM 4154 CA ALA A 399 -41.680 0.838 25.166 1.00 16.28 C +ATOM 4155 C ALA A 399 -42.883 1.681 25.539 1.00 17.02 C +ATOM 4156 O ALA A 399 -42.745 2.876 25.722 1.00 17.11 O +ATOM 4157 CB ALA A 399 -41.439 0.927 23.662 1.00 15.81 C +ATOM 4158 H ALA A 399 -41.751 -1.278 24.888 1.00 0.00 H +ATOM 4159 HA ALA A 399 -40.811 1.268 25.664 1.00 0.00 H +ATOM 4160 HB1 ALA A 399 -41.360 1.973 23.367 1.00 0.00 H +ATOM 4161 HB2 ALA A 399 -40.514 0.409 23.410 1.00 0.00 H +ATOM 4162 HB3 ALA A 399 -42.271 0.463 23.132 1.00 0.00 H +ATOM 4163 N LYS A 400 -44.058 1.062 25.669 1.00 16.26 N +ATOM 4164 CA LYS A 400 -45.279 1.826 25.916 1.00 17.03 C +ATOM 4165 C LYS A 400 -45.215 2.576 27.262 1.00 14.56 C +ATOM 4166 O LYS A 400 -45.735 3.694 27.380 1.00 17.14 O +ATOM 4167 CB LYS A 400 -46.517 0.933 25.793 1.00 22.26 C +ATOM 4168 CG LYS A 400 -46.952 0.662 24.313 1.00 27.58 C +ATOM 4169 CD LYS A 400 -45.875 -0.060 23.477 1.00 33.95 C +ATOM 4170 CE LYS A 400 -46.378 -0.564 22.113 1.00 32.92 C +ATOM 4171 NZ LYS A 400 -45.452 -1.618 21.589 1.00 26.47 N1+ +ATOM 4172 H LYS A 400 -44.109 0.056 25.597 1.00 0.00 H +ATOM 4173 HA LYS A 400 -45.349 2.580 25.132 1.00 0.00 H +ATOM 4174 HB2 LYS A 400 -46.329 -0.016 26.294 1.00 0.00 H +ATOM 4175 HB3 LYS A 400 -47.346 1.387 26.336 1.00 0.00 H +ATOM 4176 HG2 LYS A 400 -47.869 0.073 24.308 1.00 0.00 H +ATOM 4177 HG3 LYS A 400 -47.210 1.606 23.833 1.00 0.00 H +ATOM 4178 HD2 LYS A 400 -45.027 0.608 23.325 1.00 0.00 H +ATOM 4179 HD3 LYS A 400 -45.477 -0.899 24.048 1.00 0.00 H +ATOM 4180 HE2 LYS A 400 -47.378 -0.983 22.227 1.00 0.00 H +ATOM 4181 HE3 LYS A 400 -46.416 0.268 21.410 1.00 0.00 H +ATOM 4182 HZ1 LYS A 400 -45.786 -1.946 20.694 1.00 0.00 H +ATOM 4183 HZ2 LYS A 400 -44.526 -1.230 21.481 1.00 0.00 H +ATOM 4184 HZ3 LYS A 400 -45.419 -2.391 22.239 1.00 0.00 H +ATOM 4185 N GLU A 401 -44.483 2.014 28.230 1.00 18.44 N +ATOM 4186 CA GLU A 401 -44.304 2.675 29.529 0.50 18.35 C +ATOM 4187 C GLU A 401 -43.516 3.983 29.381 1.00 17.71 C +ATOM 4188 O GLU A 401 -43.812 4.978 30.045 1.00 19.31 O +ATOM 4189 CB GLU A 401 -43.603 1.746 30.518 0.50 18.35 C +ATOM 4190 CG GLU A 401 -43.716 2.205 31.971 0.50 18.36 C +ATOM 4191 CD GLU A 401 -42.946 1.336 32.959 0.50 19.27 C +ATOM 4192 OE1 GLU A 401 -42.168 0.458 32.540 0.50 18.32 O +ATOM 4193 OE2 GLU A 401 -43.121 1.542 34.174 0.50 25.04 O1- +ATOM 4194 H GLU A 401 -44.041 1.119 28.074 1.00 0.00 H +ATOM 4195 HA GLU A 401 -45.290 2.915 29.927 0.50 0.00 H +ATOM 4196 HB2 GLU A 401 -44.013 0.741 30.423 0.50 0.00 H +ATOM 4197 HB3 GLU A 401 -42.551 1.657 30.247 0.50 0.00 H +ATOM 4198 HG2 GLU A 401 -43.372 3.236 32.052 0.50 0.00 H +ATOM 4199 HG3 GLU A 401 -44.767 2.236 32.259 0.50 0.00 H +ATOM 4200 N ILE A 402 -42.522 3.977 28.495 1.00 16.15 N +ATOM 4201 CA ILE A 402 -41.720 5.161 28.229 1.00 16.50 C +ATOM 4202 C ILE A 402 -42.541 6.174 27.438 1.00 16.95 C +ATOM 4203 O ILE A 402 -42.559 7.371 27.756 1.00 15.92 O +ATOM 4204 CB ILE A 402 -40.410 4.791 27.511 1.00 16.26 C +ATOM 4205 CG1 ILE A 402 -39.564 3.875 28.400 1.00 17.33 C +ATOM 4206 CG2 ILE A 402 -39.595 6.054 27.134 1.00 16.28 C +ATOM 4207 CD1 ILE A 402 -38.488 3.134 27.664 1.00 20.25 C +ATOM 4208 H ILE A 402 -42.306 3.133 27.984 1.00 0.00 H +ATOM 4209 HA ILE A 402 -41.462 5.613 29.187 1.00 0.00 H +ATOM 4210 HB ILE A 402 -40.657 4.253 26.596 1.00 0.00 H +ATOM 4211 HG12 ILE A 402 -39.115 4.463 29.201 1.00 0.00 H +ATOM 4212 HG13 ILE A 402 -40.214 3.161 28.905 1.00 0.00 H +ATOM 4213 HG21 ILE A 402 -38.676 5.757 26.629 1.00 0.00 H +ATOM 4214 HG22 ILE A 402 -40.187 6.684 26.470 1.00 0.00 H +ATOM 4215 HG23 ILE A 402 -39.348 6.611 28.038 1.00 0.00 H +ATOM 4216 HD11 ILE A 402 -37.934 2.508 28.363 1.00 0.00 H +ATOM 4217 HD12 ILE A 402 -38.939 2.508 26.894 1.00 0.00 H +ATOM 4218 HD13 ILE A 402 -37.808 3.847 27.199 1.00 0.00 H +ATOM 4219 N MET A 403 -43.247 5.692 26.418 1.00 14.44 N +ATOM 4220 CA MET A 403 -44.076 6.548 25.579 1.00 15.97 C +ATOM 4221 C MET A 403 -45.119 7.325 26.371 1.00 16.25 C +ATOM 4222 O MET A 403 -45.434 8.449 26.020 1.00 16.68 O +ATOM 4223 CB MET A 403 -44.731 5.725 24.473 1.00 15.09 C +ATOM 4224 CG MET A 403 -43.722 5.152 23.470 1.00 14.93 C +ATOM 4225 SD MET A 403 -44.443 3.867 22.451 1.00 22.35 S +ATOM 4226 CE MET A 403 -45.555 4.782 21.441 1.00 28.83 C +ATOM 4227 H MET A 403 -43.218 4.705 26.206 1.00 0.00 H +ATOM 4228 HA MET A 403 -43.419 7.275 25.101 1.00 0.00 H +ATOM 4229 HB2 MET A 403 -45.302 4.910 24.918 1.00 0.00 H +ATOM 4230 HB3 MET A 403 -45.457 6.343 23.944 1.00 0.00 H +ATOM 4231 HG2 MET A 403 -43.349 5.954 22.833 1.00 0.00 H +ATOM 4232 HG3 MET A 403 -42.864 4.749 24.009 1.00 0.00 H +ATOM 4233 HE1 MET A 403 -46.070 4.104 20.760 1.00 0.00 H +ATOM 4234 HE2 MET A 403 -46.287 5.288 22.071 1.00 0.00 H +ATOM 4235 HE3 MET A 403 -44.999 5.522 20.865 1.00 0.00 H +ATOM 4236 N GLN A 404 -45.612 6.725 27.456 1.00 16.40 N +ATOM 4237 CA GLN A 404 -46.601 7.346 28.344 1.00 18.28 C +ATOM 4238 C GLN A 404 -46.024 8.250 29.434 1.00 17.58 C +ATOM 4239 O GLN A 404 -46.780 8.941 30.127 1.00 18.63 O +ATOM 4240 CB GLN A 404 -47.485 6.266 28.973 1.00 20.03 C +ATOM 4241 CG GLN A 404 -48.391 5.588 27.949 1.00 26.89 C +ATOM 4242 CD GLN A 404 -49.292 4.517 28.545 1.00 33.87 C +ATOM 4243 NE2 GLN A 404 -50.506 4.406 28.009 1.00 37.20 N +ATOM 4244 OE1 GLN A 404 -48.900 3.791 29.462 1.00 36.22 O +ATOM 4245 H GLN A 404 -45.305 5.795 27.702 1.00 0.00 H +ATOM 4246 HA GLN A 404 -47.246 7.966 27.722 1.00 0.00 H +ATOM 4247 HB2 GLN A 404 -46.856 5.516 29.453 1.00 0.00 H +ATOM 4248 HB3 GLN A 404 -48.096 6.710 29.759 1.00 0.00 H +ATOM 4249 HG2 GLN A 404 -49.004 6.341 27.453 1.00 0.00 H +ATOM 4250 HG3 GLN A 404 -47.780 5.149 27.160 1.00 0.00 H +ATOM 4251 HE21 GLN A 404 -50.781 5.014 27.251 1.00 0.00 H +ATOM 4252 HE22 GLN A 404 -51.152 3.714 28.361 1.00 0.00 H +ATOM 4253 N HID A 405 -44.702 8.294 29.579 1.00 18.84 N +ATOM 4254 CA HID A 405 -44.093 9.143 30.597 1.00 18.18 C +ATOM 4255 C HID A 405 -44.379 10.646 30.308 1.00 16.29 C +ATOM 4256 O HID A 405 -44.412 11.089 29.148 1.00 18.13 O +ATOM 4257 CB HID A 405 -42.588 8.875 30.704 1.00 17.65 C +ATOM 4258 CG HID A 405 -41.944 9.515 31.897 1.00 16.96 C +ATOM 4259 CD2 HID A 405 -41.597 9.001 33.102 1.00 19.27 C +ATOM 4260 ND1 HID A 405 -41.585 10.846 31.930 1.00 17.89 N +ATOM 4261 CE1 HID A 405 -41.058 11.125 33.110 1.00 16.35 C +ATOM 4262 NE2 HID A 405 -41.034 10.018 33.828 1.00 15.59 N +ATOM 4263 H HID A 405 -44.110 7.736 28.981 1.00 0.00 H +ATOM 4264 HA HID A 405 -44.547 8.894 31.556 1.00 0.00 H +ATOM 4265 HB2 HID A 405 -42.413 7.799 30.732 1.00 0.00 H +ATOM 4266 HB3 HID A 405 -42.094 9.222 29.797 1.00 0.00 H +ATOM 4267 HD1 HID A 405 -41.743 11.432 31.123 1.00 0.00 H +ATOM 4268 HD2 HID A 405 -41.787 7.960 33.320 1.00 0.00 H +ATOM 4269 HE1 HID A 405 -40.737 12.132 33.333 1.00 0.00 H +ATOM 4270 N ARG A 406 -44.571 11.407 31.385 1.00 18.50 N +ATOM 4271 CA ARG A 406 -44.956 12.813 31.244 0.50 20.60 C +ATOM 4272 C ARG A 406 -43.911 13.669 30.521 1.00 19.59 C +ATOM 4273 O ARG A 406 -44.252 14.708 29.990 1.00 21.59 O +ATOM 4274 CB ARG A 406 -45.360 13.433 32.589 0.50 22.00 C +ATOM 4275 CG ARG A 406 -44.247 13.598 33.607 0.50 27.67 C +ATOM 4276 CD ARG A 406 -44.840 13.870 34.994 0.50 31.55 C +ATOM 4277 NE ARG A 406 -43.836 13.975 36.056 0.50 33.48 N +ATOM 4278 CZ ARG A 406 -43.151 12.953 36.569 0.50 32.99 C +ATOM 4279 NH1 ARG A 406 -43.319 11.712 36.116 0.50 24.76 N1+ +ATOM 4280 NH2 ARG A 406 -42.279 13.179 37.548 0.50 38.41 N1+ +ATOM 4281 H ARG A 406 -44.451 11.015 32.308 1.00 0.00 H +ATOM 4282 HA ARG A 406 -45.849 12.826 30.619 0.50 0.00 H +ATOM 4283 HB2 ARG A 406 -45.832 14.400 32.412 0.50 0.00 H +ATOM 4284 HB3 ARG A 406 -46.165 12.844 33.029 0.50 0.00 H +ATOM 4285 HG2 ARG A 406 -43.648 12.688 33.640 0.50 0.00 H +ATOM 4286 HG3 ARG A 406 -43.609 14.432 33.315 0.50 0.00 H +ATOM 4287 HD2 ARG A 406 -45.429 14.786 34.962 0.50 0.00 H +ATOM 4288 HD3 ARG A 406 -45.550 13.082 35.244 0.50 0.00 H +ATOM 4289 HE ARG A 406 -43.679 14.912 36.400 0.50 0.00 H +ATOM 4290 HH11 ARG A 406 -43.975 11.531 35.370 0.50 0.00 H +ATOM 4291 HH12 ARG A 406 -42.790 10.952 36.518 0.50 0.00 H +ATOM 4292 HH21 ARG A 406 -42.141 14.117 37.895 0.50 0.00 H +ATOM 4293 HH22 ARG A 406 -41.755 12.412 37.944 0.50 0.00 H +ATOM 4294 N PHE A 407 -42.657 13.220 30.457 1.00 18.21 N +ATOM 4295 CA PHE A 407 -41.656 13.922 29.654 1.00 18.07 C +ATOM 4296 C PHE A 407 -42.077 13.995 28.185 1.00 15.39 C +ATOM 4297 O PHE A 407 -41.799 14.958 27.510 1.00 16.73 O +ATOM 4298 CB PHE A 407 -40.287 13.245 29.783 1.00 18.18 C +ATOM 4299 CG PHE A 407 -39.190 13.914 28.996 1.00 17.74 C +ATOM 4300 CD1 PHE A 407 -38.555 15.036 29.493 1.00 18.90 C +ATOM 4301 CD2 PHE A 407 -38.785 13.408 27.768 1.00 19.65 C +ATOM 4302 CE1 PHE A 407 -37.539 15.649 28.781 1.00 23.76 C +ATOM 4303 CE2 PHE A 407 -37.770 14.011 27.049 1.00 20.83 C +ATOM 4304 CZ PHE A 407 -37.147 15.131 27.549 1.00 22.92 C +ATOM 4305 H PHE A 407 -42.392 12.389 30.966 1.00 0.00 H +ATOM 4306 HA PHE A 407 -41.569 14.940 30.034 1.00 0.00 H +ATOM 4307 HB2 PHE A 407 -40.003 13.202 30.834 1.00 0.00 H +ATOM 4308 HB3 PHE A 407 -40.369 12.203 29.474 1.00 0.00 H +ATOM 4309 HD1 PHE A 407 -38.850 15.445 30.448 1.00 0.00 H +ATOM 4310 HD2 PHE A 407 -39.265 12.530 27.361 1.00 0.00 H +ATOM 4311 HE1 PHE A 407 -37.053 16.526 29.181 1.00 0.00 H +ATOM 4312 HE2 PHE A 407 -37.467 13.603 26.096 1.00 0.00 H +ATOM 4313 HZ PHE A 407 -36.356 15.608 26.989 1.00 0.00 H +ATOM 4314 N PHE A 408 -42.754 12.965 27.705 1.00 15.23 N +ATOM 4315 CA PHE A 408 -43.217 12.927 26.317 1.00 16.94 C +ATOM 4316 C PHE A 408 -44.698 13.335 26.160 1.00 18.57 C +ATOM 4317 O PHE A 408 -45.313 13.059 25.130 1.00 16.98 O +ATOM 4318 CB PHE A 408 -43.011 11.523 25.739 1.00 17.92 C +ATOM 4319 CG PHE A 408 -41.571 11.137 25.569 1.00 15.05 C +ATOM 4320 CD1 PHE A 408 -40.782 11.783 24.643 1.00 16.07 C +ATOM 4321 CD2 PHE A 408 -41.018 10.105 26.312 1.00 15.78 C +ATOM 4322 CE1 PHE A 408 -39.442 11.410 24.462 1.00 11.96 C +ATOM 4323 CE2 PHE A 408 -39.690 9.731 26.133 1.00 15.24 C +ATOM 4324 CZ PHE A 408 -38.904 10.395 25.220 1.00 14.58 C +ATOM 4325 H PHE A 408 -42.964 12.177 28.301 1.00 0.00 H +ATOM 4326 HA PHE A 408 -42.611 13.624 25.738 1.00 0.00 H +ATOM 4327 HB2 PHE A 408 -43.508 10.793 26.378 1.00 0.00 H +ATOM 4328 HB3 PHE A 408 -43.521 11.449 24.778 1.00 0.00 H +ATOM 4329 HD1 PHE A 408 -41.194 12.585 24.048 1.00 0.00 H +ATOM 4330 HD2 PHE A 408 -41.620 9.581 27.040 1.00 0.00 H +ATOM 4331 HE1 PHE A 408 -38.834 11.919 23.729 1.00 0.00 H +ATOM 4332 HE2 PHE A 408 -39.275 8.919 26.711 1.00 0.00 H +ATOM 4333 HZ PHE A 408 -37.867 10.121 25.097 1.00 0.00 H +ATOM 4334 N ALA A 409 -45.253 14.004 27.170 1.00 20.94 N +ATOM 4335 CA ALA A 409 -46.641 14.456 27.125 1.00 22.57 C +ATOM 4336 C ALA A 409 -46.846 15.318 25.878 1.00 22.75 C +ATOM 4337 O ALA A 409 -46.017 16.169 25.567 1.00 22.88 O +ATOM 4338 CB ALA A 409 -46.970 15.240 28.366 1.00 24.64 C +ATOM 4339 H ALA A 409 -44.711 14.212 27.997 1.00 0.00 H +ATOM 4340 HA ALA A 409 -47.297 13.587 27.069 1.00 0.00 H +ATOM 4341 HB1 ALA A 409 -48.007 15.572 28.322 1.00 0.00 H +ATOM 4342 HB2 ALA A 409 -46.828 14.609 29.243 1.00 0.00 H +ATOM 4343 HB3 ALA A 409 -46.314 16.108 28.433 1.00 0.00 H +ATOM 4344 N GLY A 410 -47.929 15.069 25.148 1.00 23.97 N +ATOM 4345 CA GLY A 410 -48.220 15.839 23.929 1.00 25.73 C +ATOM 4346 C GLY A 410 -47.646 15.268 22.637 1.00 24.53 C +ATOM 4347 O GLY A 410 -48.117 15.604 21.544 1.00 25.84 O +ATOM 4348 H GLY A 410 -48.570 14.340 25.427 1.00 0.00 H +ATOM 4349 HA2 GLY A 410 -49.299 15.953 23.824 1.00 0.00 H +ATOM 4350 HA3 GLY A 410 -47.869 16.863 24.057 1.00 0.00 H +ATOM 4351 N ILE A 411 -46.620 14.424 22.755 1.00 21.95 N +ATOM 4352 CA ILE A 411 -46.075 13.710 21.602 1.00 19.92 C +ATOM 4353 C ILE A 411 -47.138 12.752 21.067 1.00 18.50 C +ATOM 4354 O ILE A 411 -47.712 11.960 21.816 1.00 18.42 O +ATOM 4355 CB ILE A 411 -44.786 12.907 21.949 1.00 20.46 C +ATOM 4356 CG1 ILE A 411 -43.655 13.833 22.427 1.00 23.88 C +ATOM 4357 CG2 ILE A 411 -44.325 12.095 20.762 1.00 19.98 C +ATOM 4358 CD1 ILE A 411 -43.043 14.710 21.341 1.00 27.12 C +ATOM 4359 H ILE A 411 -46.199 14.264 23.659 1.00 0.00 H +ATOM 4360 HA ILE A 411 -45.836 14.435 20.824 1.00 0.00 H +ATOM 4361 HB ILE A 411 -45.024 12.218 22.759 1.00 0.00 H +ATOM 4362 HG12 ILE A 411 -44.023 14.464 23.236 1.00 0.00 H +ATOM 4363 HG13 ILE A 411 -42.871 13.235 22.892 1.00 0.00 H +ATOM 4364 HG21 ILE A 411 -43.424 11.542 21.027 1.00 0.00 H +ATOM 4365 HG22 ILE A 411 -45.109 11.394 20.474 1.00 0.00 H +ATOM 4366 HG23 ILE A 411 -44.110 12.761 19.927 1.00 0.00 H +ATOM 4367 HD11 ILE A 411 -42.255 15.327 21.773 1.00 0.00 H +ATOM 4368 HD12 ILE A 411 -42.622 14.079 20.558 1.00 0.00 H +ATOM 4369 HD13 ILE A 411 -43.814 15.352 20.914 1.00 0.00 H +ATOM 4370 N VAL A 412 -47.411 12.849 19.776 1.00 17.48 N +ATOM 4371 CA VAL A 412 -48.305 11.896 19.117 0.50 18.38 C +ATOM 4372 C VAL A 412 -47.429 10.892 18.371 1.00 16.20 C +ATOM 4373 O VAL A 412 -46.748 11.216 17.395 1.00 12.75 O +ATOM 4374 CB VAL A 412 -49.424 12.574 18.245 0.50 19.62 C +ATOM 4375 CG1 VAL A 412 -48.959 13.867 17.647 0.50 23.17 C +ATOM 4376 CG2 VAL A 412 -49.970 11.626 17.179 0.50 21.22 C +ATOM 4377 H VAL A 412 -47.000 13.591 19.227 1.00 0.00 H +ATOM 4378 HA VAL A 412 -48.813 11.344 19.907 0.50 0.00 H +ATOM 4379 HB VAL A 412 -50.251 12.811 18.915 0.50 0.00 H +ATOM 4380 HG11 VAL A 412 -49.762 14.302 17.052 0.50 0.00 H +ATOM 4381 HG12 VAL A 412 -48.682 14.557 18.444 0.50 0.00 H +ATOM 4382 HG13 VAL A 412 -48.094 13.683 17.009 0.50 0.00 H +ATOM 4383 HG21 VAL A 412 -50.740 12.135 16.600 0.50 0.00 H +ATOM 4384 HG22 VAL A 412 -49.161 11.319 16.516 0.50 0.00 H +ATOM 4385 HG23 VAL A 412 -50.399 10.747 17.659 0.50 0.00 H +ATOM 4386 N TRP A 413 -47.442 9.663 18.854 1.00 14.72 N +ATOM 4387 CA TRP A 413 -46.452 8.661 18.436 1.00 15.74 C +ATOM 4388 C TRP A 413 -46.578 8.235 16.973 1.00 15.36 C +ATOM 4389 O TRP A 413 -45.586 7.911 16.338 1.00 15.81 O +ATOM 4390 CB TRP A 413 -46.439 7.489 19.440 1.00 14.60 C +ATOM 4391 CG TRP A 413 -45.875 7.950 20.742 1.00 17.03 C +ATOM 4392 CD1 TRP A 413 -46.561 8.412 21.811 1.00 15.86 C +ATOM 4393 CD2 TRP A 413 -44.493 8.090 21.062 1.00 14.89 C +ATOM 4394 CE2 TRP A 413 -44.421 8.616 22.357 1.00 15.52 C +ATOM 4395 CE3 TRP A 413 -43.304 7.798 20.377 1.00 12.74 C +ATOM 4396 NE1 TRP A 413 -45.706 8.807 22.791 1.00 16.48 N +ATOM 4397 CZ2 TRP A 413 -43.209 8.866 22.989 1.00 14.53 C +ATOM 4398 CZ3 TRP A 413 -42.096 8.029 21.011 1.00 14.30 C +ATOM 4399 CH2 TRP A 413 -42.061 8.560 22.304 1.00 16.24 C +ATOM 4400 H TRP A 413 -48.144 9.393 19.528 1.00 0.00 H +ATOM 4401 HA TRP A 413 -45.479 9.144 18.526 1.00 0.00 H +ATOM 4402 HB2 TRP A 413 -47.457 7.130 19.592 1.00 0.00 H +ATOM 4403 HB3 TRP A 413 -45.826 6.679 19.045 1.00 0.00 H +ATOM 4404 HD1 TRP A 413 -47.641 8.426 21.795 1.00 0.00 H +ATOM 4405 HE1 TRP A 413 -46.068 9.169 23.662 1.00 0.00 H +ATOM 4406 HE3 TRP A 413 -43.343 7.401 19.374 1.00 0.00 H +ATOM 4407 HZ2 TRP A 413 -43.195 9.286 23.984 1.00 0.00 H +ATOM 4408 HZ3 TRP A 413 -41.169 7.799 20.507 1.00 0.00 H +ATOM 4409 HH2 TRP A 413 -41.098 8.728 22.762 1.00 0.00 H +ATOM 4410 N GLN A 414 -47.783 8.265 16.416 1.00 17.33 N +ATOM 4411 CA GLN A 414 -47.944 7.999 15.002 1.00 17.30 C +ATOM 4412 C GLN A 414 -47.316 9.123 14.169 1.00 13.55 C +ATOM 4413 O GLN A 414 -46.792 8.859 13.083 1.00 14.87 O +ATOM 4414 CB GLN A 414 -49.429 7.811 14.648 1.00 19.40 C +ATOM 4415 CG GLN A 414 -49.691 7.346 13.210 1.00 22.68 C +ATOM 4416 CD GLN A 414 -48.975 6.041 12.809 1.00 34.77 C +ATOM 4417 NE2 GLN A 414 -48.729 5.154 13.784 1.00 38.64 N +ATOM 4418 OE1 GLN A 414 -48.649 5.841 11.627 1.00 40.16 O +ATOM 4419 H GLN A 414 -48.595 8.474 16.979 1.00 0.00 H +ATOM 4420 HA GLN A 414 -47.420 7.072 14.770 1.00 0.00 H +ATOM 4421 HB2 GLN A 414 -49.879 7.103 15.344 1.00 0.00 H +ATOM 4422 HB3 GLN A 414 -49.964 8.743 14.829 1.00 0.00 H +ATOM 4423 HG2 GLN A 414 -50.764 7.230 13.058 1.00 0.00 H +ATOM 4424 HG3 GLN A 414 -49.409 8.139 12.517 1.00 0.00 H +ATOM 4425 HE21 GLN A 414 -49.011 5.355 14.733 1.00 0.00 H +ATOM 4426 HE22 GLN A 414 -48.262 4.284 13.570 1.00 0.00 H +ATOM 4427 N HID A 415 -47.366 10.357 14.650 1.00 16.29 N +ATOM 4428 CA HID A 415 -46.719 11.483 13.959 1.00 14.10 C +ATOM 4429 C HID A 415 -45.191 11.367 13.985 1.00 13.66 C +ATOM 4430 O HID A 415 -44.529 11.705 13.004 1.00 14.43 O +ATOM 4431 CB HID A 415 -47.166 12.843 14.498 1.00 16.50 C +ATOM 4432 CG HID A 415 -48.619 13.142 14.263 1.00 19.61 C +ATOM 4433 CD2 HID A 415 -49.586 12.447 13.614 1.00 24.41 C +ATOM 4434 ND1 HID A 415 -49.218 14.285 14.738 1.00 27.44 N +ATOM 4435 CE1 HID A 415 -50.496 14.284 14.398 1.00 28.55 C +ATOM 4436 NE2 HID A 415 -50.744 13.183 13.712 1.00 30.57 N +ATOM 4437 H HID A 415 -47.858 10.543 15.512 1.00 0.00 H +ATOM 4438 HA HID A 415 -47.026 11.436 12.914 1.00 0.00 H +ATOM 4439 HB2 HID A 415 -46.954 12.896 15.566 1.00 0.00 H +ATOM 4440 HB3 HID A 415 -46.558 13.628 14.048 1.00 0.00 H +ATOM 4441 HD1 HID A 415 -48.676 14.961 15.257 1.00 0.00 H +ATOM 4442 HD2 HID A 415 -49.351 11.501 13.149 1.00 0.00 H +ATOM 4443 HE1 HID A 415 -51.133 15.105 14.691 1.00 0.00 H +ATOM 4444 N VAL A 416 -44.653 10.844 15.081 1.00 14.56 N +ATOM 4445 CA VAL A 416 -43.210 10.573 15.176 1.00 14.13 C +ATOM 4446 C VAL A 416 -42.815 9.619 14.063 1.00 14.31 C +ATOM 4447 O VAL A 416 -41.933 9.906 13.267 1.00 11.05 O +ATOM 4448 CB VAL A 416 -42.862 9.949 16.538 1.00 10.69 C +ATOM 4449 CG1 VAL A 416 -41.387 9.490 16.576 1.00 12.87 C +ATOM 4450 CG2 VAL A 416 -43.198 10.916 17.672 1.00 15.20 C +ATOM 4451 H VAL A 416 -45.238 10.623 15.874 1.00 0.00 H +ATOM 4452 HA VAL A 416 -42.661 11.507 15.059 1.00 0.00 H +ATOM 4453 HB VAL A 416 -43.486 9.064 16.664 1.00 0.00 H +ATOM 4454 HG11 VAL A 416 -41.167 9.053 17.550 1.00 0.00 H +ATOM 4455 HG12 VAL A 416 -41.217 8.746 15.797 1.00 0.00 H +ATOM 4456 HG13 VAL A 416 -40.735 10.347 16.408 1.00 0.00 H +ATOM 4457 HG21 VAL A 416 -42.945 10.458 18.628 1.00 0.00 H +ATOM 4458 HG22 VAL A 416 -42.626 11.835 17.548 1.00 0.00 H +ATOM 4459 HG23 VAL A 416 -44.263 11.146 17.650 1.00 0.00 H +ATOM 4460 N TYR A 417 -43.515 8.491 13.975 1.00 11.40 N +ATOM 4461 CA TYR A 417 -43.264 7.490 12.952 1.00 12.91 C +ATOM 4462 C TYR A 417 -43.302 8.060 11.534 1.00 10.82 C +ATOM 4463 O TYR A 417 -42.460 7.713 10.706 1.00 13.86 O +ATOM 4464 CB TYR A 417 -44.276 6.349 13.079 1.00 13.61 C +ATOM 4465 CG TYR A 417 -44.009 5.235 12.091 1.00 12.86 C +ATOM 4466 CD1 TYR A 417 -43.121 4.197 12.403 1.00 16.75 C +ATOM 4467 CD2 TYR A 417 -44.608 5.226 10.820 1.00 14.99 C +ATOM 4468 CE1 TYR A 417 -42.838 3.180 11.500 1.00 13.99 C +ATOM 4469 CE2 TYR A 417 -44.333 4.211 9.907 1.00 19.46 C +ATOM 4470 CZ TYR A 417 -43.438 3.180 10.259 1.00 16.41 C +ATOM 4471 OH TYR A 417 -43.148 2.154 9.395 1.00 19.72 O +ATOM 4472 H TYR A 417 -44.255 8.303 14.636 1.00 0.00 H +ATOM 4473 HA TYR A 417 -42.269 7.078 13.122 1.00 0.00 H +ATOM 4474 HB2 TYR A 417 -44.246 5.949 14.093 1.00 0.00 H +ATOM 4475 HB3 TYR A 417 -45.282 6.738 12.923 1.00 0.00 H +ATOM 4476 HD1 TYR A 417 -42.636 4.173 13.368 1.00 0.00 H +ATOM 4477 HD2 TYR A 417 -45.292 6.013 10.540 1.00 0.00 H +ATOM 4478 HE1 TYR A 417 -42.150 2.393 11.771 1.00 0.00 H +ATOM 4479 HE2 TYR A 417 -44.804 4.216 8.935 1.00 0.00 H +ATOM 4480 HH TYR A 417 -43.631 2.279 8.575 1.00 0.00 H +ATOM 4481 N GLU A 418 -44.241 8.965 11.288 1.00 13.77 N +ATOM 4482 CA GLU A 418 -44.487 9.530 9.967 1.00 13.79 C +ATOM 4483 C GLU A 418 -43.576 10.730 9.659 1.00 14.72 C +ATOM 4484 O GLU A 418 -43.712 11.379 8.605 1.00 13.65 O +ATOM 4485 CB GLU A 418 -45.963 9.937 9.844 1.00 16.46 C +ATOM 4486 CG GLU A 418 -46.908 8.721 9.828 1.00 17.60 C +ATOM 4487 CD GLU A 418 -48.369 9.064 10.028 1.00 24.74 C +ATOM 4488 OE1 GLU A 418 -48.685 10.222 10.369 1.00 34.31 O +ATOM 4489 OE2 GLU A 418 -49.203 8.146 9.868 1.00 29.92 O1- +ATOM 4490 H GLU A 418 -44.831 9.297 12.038 1.00 0.00 H +ATOM 4491 HA GLU A 418 -44.287 8.756 9.226 1.00 0.00 H +ATOM 4492 HB2 GLU A 418 -46.229 10.592 10.674 1.00 0.00 H +ATOM 4493 HB3 GLU A 418 -46.104 10.518 8.932 1.00 0.00 H +ATOM 4494 HG2 GLU A 418 -46.789 8.183 8.887 1.00 0.00 H +ATOM 4495 HG3 GLU A 418 -46.596 8.011 10.594 1.00 0.00 H +ATOM 4496 N LYS A 419 -42.646 11.021 10.566 1.00 12.84 N +ATOM 4497 CA LYS A 419 -41.670 12.118 10.402 1.00 14.06 C +ATOM 4498 C LYS A 419 -42.363 13.478 10.284 1.00 15.49 C +ATOM 4499 O LYS A 419 -41.880 14.394 9.611 1.00 16.67 O +ATOM 4500 CB LYS A 419 -40.685 11.855 9.247 1.00 16.85 C +ATOM 4501 CG LYS A 419 -39.858 10.585 9.466 1.00 17.37 C +ATOM 4502 CD LYS A 419 -38.665 10.452 8.566 1.00 19.11 C +ATOM 4503 CE LYS A 419 -39.002 10.470 7.122 1.00 20.58 C +ATOM 4504 NZ LYS A 419 -37.769 10.259 6.294 1.00 28.33 N1+ +ATOM 4505 H LYS A 419 -42.584 10.480 11.417 1.00 0.00 H +ATOM 4506 HA LYS A 419 -41.078 12.148 11.317 1.00 0.00 H +ATOM 4507 HB2 LYS A 419 -41.238 11.771 8.311 1.00 0.00 H +ATOM 4508 HB3 LYS A 419 -40.016 12.709 9.140 1.00 0.00 H +ATOM 4509 HG2 LYS A 419 -39.533 10.541 10.505 1.00 0.00 H +ATOM 4510 HG3 LYS A 419 -40.499 9.712 9.347 1.00 0.00 H +ATOM 4511 HD2 LYS A 419 -37.958 11.253 8.782 1.00 0.00 H +ATOM 4512 HD3 LYS A 419 -38.135 9.529 8.802 1.00 0.00 H +ATOM 4513 HE2 LYS A 419 -39.723 9.681 6.908 1.00 0.00 H +ATOM 4514 HE3 LYS A 419 -39.451 11.430 6.866 1.00 0.00 H +ATOM 4515 HZ1 LYS A 419 -38.014 10.274 5.314 1.00 0.00 H +ATOM 4516 HZ2 LYS A 419 -37.104 10.995 6.485 1.00 0.00 H +ATOM 4517 HZ3 LYS A 419 -37.357 9.366 6.524 1.00 0.00 H +ATOM 4518 N LYS A 420 -43.477 13.606 10.989 1.00 14.19 N +ATOM 4519 CA LYS A 420 -44.265 14.832 10.998 1.00 15.53 C +ATOM 4520 C LYS A 420 -43.828 15.814 12.091 1.00 17.69 C +ATOM 4521 O LYS A 420 -44.338 16.930 12.152 1.00 19.88 O +ATOM 4522 CB LYS A 420 -45.763 14.518 11.117 1.00 15.83 C +ATOM 4523 CG LYS A 420 -46.357 13.982 9.851 1.00 18.25 C +ATOM 4524 CD LYS A 420 -47.789 13.579 10.059 1.00 22.61 C +ATOM 4525 CE LYS A 420 -48.420 13.153 8.747 1.00 27.55 C +ATOM 4526 NZ LYS A 420 -49.778 12.632 8.978 1.00 37.56 N1+ +ATOM 4527 H LYS A 420 -43.811 12.835 11.550 1.00 0.00 H +ATOM 4528 HA LYS A 420 -44.111 15.325 10.038 1.00 0.00 H +ATOM 4529 HB2 LYS A 420 -45.919 13.800 11.922 1.00 0.00 H +ATOM 4530 HB3 LYS A 420 -46.299 15.419 11.415 1.00 0.00 H +ATOM 4531 HG2 LYS A 420 -46.304 14.744 9.074 1.00 0.00 H +ATOM 4532 HG3 LYS A 420 -45.782 13.118 9.517 1.00 0.00 H +ATOM 4533 HD2 LYS A 420 -47.834 12.753 10.769 1.00 0.00 H +ATOM 4534 HD3 LYS A 420 -48.346 14.419 10.474 1.00 0.00 H +ATOM 4535 HE2 LYS A 420 -48.469 14.008 8.073 1.00 0.00 H +ATOM 4536 HE3 LYS A 420 -47.808 12.379 8.284 1.00 0.00 H +ATOM 4537 HZ1 LYS A 420 -50.186 12.352 8.097 1.00 0.00 H +ATOM 4538 HZ2 LYS A 420 -49.733 11.834 9.596 1.00 0.00 H +ATOM 4539 HZ3 LYS A 420 -50.348 13.352 9.399 1.00 0.00 H +ATOM 4540 N LEU A 421 -42.884 15.425 12.947 1.00 17.83 N +ATOM 4541 CA LEU A 421 -42.266 16.410 13.825 1.00 19.56 C +ATOM 4542 C LEU A 421 -41.100 17.061 13.087 1.00 16.25 C +ATOM 4543 O LEU A 421 -40.278 16.386 12.471 1.00 17.67 O +ATOM 4544 CB LEU A 421 -41.802 15.806 15.156 1.00 21.13 C +ATOM 4545 CG LEU A 421 -42.808 14.998 15.994 1.00 28.52 C +ATOM 4546 CD1 LEU A 421 -42.308 14.876 17.424 1.00 30.16 C +ATOM 4547 CD2 LEU A 421 -44.210 15.549 15.985 1.00 34.30 C +ATOM 4548 H LEU A 421 -42.603 14.455 12.983 1.00 0.00 H +ATOM 4549 HA LEU A 421 -43.004 17.182 14.042 1.00 0.00 H +ATOM 4550 HB2 LEU A 421 -40.915 15.197 14.981 1.00 0.00 H +ATOM 4551 HB3 LEU A 421 -41.375 16.595 15.775 1.00 0.00 H +ATOM 4552 HG LEU A 421 -42.849 13.993 15.575 1.00 0.00 H +ATOM 4553 HD11 LEU A 421 -43.025 14.303 18.012 1.00 0.00 H +ATOM 4554 HD12 LEU A 421 -41.344 14.367 17.430 1.00 0.00 H +ATOM 4555 HD13 LEU A 421 -42.196 15.870 17.856 1.00 0.00 H +ATOM 4556 HD21 LEU A 421 -44.852 14.919 16.600 1.00 0.00 H +ATOM 4557 HD22 LEU A 421 -44.205 16.563 16.385 1.00 0.00 H +ATOM 4558 HD23 LEU A 421 -44.588 15.564 14.963 1.00 0.00 H +ATOM 4559 N SER A 422 -41.054 18.381 13.153 1.00 15.58 N +ATOM 4560 CA SER A 422 -40.003 19.158 12.541 1.00 13.18 C +ATOM 4561 C SER A 422 -38.708 19.045 13.356 1.00 13.24 C +ATOM 4562 O SER A 422 -38.679 19.400 14.520 1.00 16.99 O +ATOM 4563 CB SER A 422 -40.437 20.620 12.415 1.00 16.49 C +ATOM 4564 OG SER A 422 -41.380 20.777 11.366 1.00 20.45 O +ATOM 4565 H SER A 422 -41.775 18.887 13.648 1.00 0.00 H +ATOM 4566 HA SER A 422 -39.819 18.764 11.541 1.00 0.00 H +ATOM 4567 HB2 SER A 422 -40.881 20.949 13.354 1.00 0.00 H +ATOM 4568 HB3 SER A 422 -39.564 21.242 12.215 1.00 0.00 H +ATOM 4569 HG SER A 422 -41.639 21.699 11.303 1.00 0.00 H +ATOM 4570 N PRO A 423 -37.635 18.522 12.750 1.00 13.98 N +ATOM 4571 CA PRO A 423 -36.404 18.458 13.525 1.00 14.18 C +ATOM 4572 C PRO A 423 -35.919 19.839 13.961 1.00 15.78 C +ATOM 4573 O PRO A 423 -35.977 20.791 13.192 1.00 18.25 O +ATOM 4574 CB PRO A 423 -35.406 17.841 12.557 1.00 14.29 C +ATOM 4575 CG PRO A 423 -36.239 17.139 11.537 1.00 15.78 C +ATOM 4576 CD PRO A 423 -37.470 17.963 11.401 1.00 16.01 C +ATOM 4577 HA PRO A 423 -36.537 17.813 14.393 1.00 0.00 H +ATOM 4578 HB2 PRO A 423 -34.834 18.633 12.074 1.00 0.00 H +ATOM 4579 HB3 PRO A 423 -34.792 17.112 13.086 1.00 0.00 H +ATOM 4580 HG2 PRO A 423 -35.708 17.123 10.585 1.00 0.00 H +ATOM 4581 HG3 PRO A 423 -36.506 16.149 11.907 1.00 0.00 H +ATOM 4582 HD2 PRO A 423 -37.284 18.774 10.697 1.00 0.00 H +ATOM 4583 HD3 PRO A 423 -38.315 17.312 11.176 1.00 0.00 H +ATOM 4584 N PRO A 424 -35.418 19.939 15.193 1.00 17.79 N +ATOM 4585 CA PRO A 424 -34.970 21.212 15.733 1.00 19.12 C +ATOM 4586 C PRO A 424 -33.652 21.679 15.117 1.00 18.87 C +ATOM 4587 O PRO A 424 -33.387 22.883 15.089 1.00 21.97 O +ATOM 4588 CB PRO A 424 -34.823 20.910 17.225 1.00 23.26 C +ATOM 4589 CG PRO A 424 -34.443 19.466 17.251 1.00 24.29 C +ATOM 4590 CD PRO A 424 -35.240 18.838 16.154 1.00 22.27 C +ATOM 4591 HA PRO A 424 -35.739 21.970 15.582 1.00 0.00 H +ATOM 4592 HB2 PRO A 424 -34.006 21.505 17.634 1.00 0.00 H +ATOM 4593 HB3 PRO A 424 -35.788 21.037 17.715 1.00 0.00 H +ATOM 4594 HG2 PRO A 424 -33.381 19.368 17.028 1.00 0.00 H +ATOM 4595 HG3 PRO A 424 -34.738 19.032 18.206 1.00 0.00 H +ATOM 4596 HD2 PRO A 424 -34.652 18.047 15.690 1.00 0.00 H +ATOM 4597 HD3 PRO A 424 -36.213 18.539 16.542 1.00 0.00 H +ATOM 4598 N PHE A 425 -32.855 20.747 14.598 1.00 16.28 N +ATOM 4599 CA PHE A 425 -31.633 21.068 13.857 1.00 14.86 C +ATOM 4600 C PHE A 425 -31.695 20.480 12.452 1.00 13.04 C +ATOM 4601 O PHE A 425 -31.826 19.278 12.283 1.00 12.54 O +ATOM 4602 CB PHE A 425 -30.402 20.533 14.605 1.00 15.46 C +ATOM 4603 CG PHE A 425 -29.143 20.529 13.781 1.00 18.56 C +ATOM 4604 CD1 PHE A 425 -28.444 21.720 13.525 1.00 19.88 C +ATOM 4605 CD2 PHE A 425 -28.630 19.347 13.281 1.00 20.75 C +ATOM 4606 CE1 PHE A 425 -27.284 21.714 12.765 1.00 20.33 C +ATOM 4607 CE2 PHE A 425 -27.462 19.341 12.521 1.00 21.33 C +ATOM 4608 CZ PHE A 425 -26.792 20.524 12.268 1.00 18.52 C +ATOM 4609 H PHE A 425 -33.083 19.769 14.708 1.00 0.00 H +ATOM 4610 HA PHE A 425 -31.548 22.152 13.778 1.00 0.00 H +ATOM 4611 HB2 PHE A 425 -30.242 21.124 15.507 1.00 0.00 H +ATOM 4612 HB3 PHE A 425 -30.605 19.522 14.959 1.00 0.00 H +ATOM 4613 HD1 PHE A 425 -28.809 22.656 13.922 1.00 0.00 H +ATOM 4614 HD2 PHE A 425 -29.135 18.413 13.478 1.00 0.00 H +ATOM 4615 HE1 PHE A 425 -26.766 22.640 12.562 1.00 0.00 H +ATOM 4616 HE2 PHE A 425 -27.078 18.411 12.128 1.00 0.00 H +ATOM 4617 HZ PHE A 425 -25.885 20.517 11.682 1.00 0.00 H +ATOM 4618 N LYS A 426 -31.613 21.354 11.453 1.00 11.94 N +ATOM 4619 CA LYS A 426 -31.580 20.955 10.053 1.00 13.88 C +ATOM 4620 C LYS A 426 -30.139 21.040 9.551 1.00 16.80 C +ATOM 4621 O LYS A 426 -29.581 22.131 9.489 1.00 18.55 O +ATOM 4622 CB LYS A 426 -32.498 21.848 9.202 1.00 18.46 C +ATOM 4623 CG LYS A 426 -33.975 21.929 9.666 1.00 18.61 C +ATOM 4624 CD LYS A 426 -34.783 20.639 9.501 1.00 17.31 C +ATOM 4625 CE LYS A 426 -35.116 20.332 8.057 1.00 19.28 C +ATOM 4626 NZ LYS A 426 -35.979 19.140 7.863 1.00 20.41 N1+ +ATOM 4627 H LYS A 426 -31.571 22.344 11.650 1.00 0.00 H +ATOM 4628 HA LYS A 426 -31.920 19.923 9.973 1.00 0.00 H +ATOM 4629 HB2 LYS A 426 -32.080 22.853 9.156 1.00 0.00 H +ATOM 4630 HB3 LYS A 426 -32.464 21.514 8.165 1.00 0.00 H +ATOM 4631 HG2 LYS A 426 -34.008 22.244 10.709 1.00 0.00 H +ATOM 4632 HG3 LYS A 426 -34.476 22.738 9.135 1.00 0.00 H +ATOM 4633 HD2 LYS A 426 -34.226 19.806 9.929 1.00 0.00 H +ATOM 4634 HD3 LYS A 426 -35.705 20.713 10.077 1.00 0.00 H +ATOM 4635 HE2 LYS A 426 -35.593 21.201 7.604 1.00 0.00 H +ATOM 4636 HE3 LYS A 426 -34.192 20.204 7.493 1.00 0.00 H +ATOM 4637 HZ1 LYS A 426 -36.152 19.006 6.877 1.00 0.00 H +ATOM 4638 HZ2 LYS A 426 -35.516 18.324 8.237 1.00 0.00 H +ATOM 4639 HZ3 LYS A 426 -36.857 19.278 8.343 1.00 0.00 H +ATOM 4640 N PRO A 427 -29.521 19.885 9.218 1.00 15.85 N +ATOM 4641 CA PRO A 427 -28.171 19.877 8.641 1.00 15.14 C +ATOM 4642 C PRO A 427 -28.048 20.790 7.410 1.00 15.10 C +ATOM 4643 O PRO A 427 -28.902 20.746 6.527 1.00 17.91 O +ATOM 4644 CB PRO A 427 -27.958 18.406 8.265 1.00 16.16 C +ATOM 4645 CG PRO A 427 -28.858 17.648 9.172 1.00 14.21 C +ATOM 4646 CD PRO A 427 -30.065 18.520 9.381 1.00 14.39 C +ATOM 4647 HA PRO A 427 -27.444 20.175 9.397 1.00 0.00 H +ATOM 4648 HB2 PRO A 427 -28.269 18.248 7.232 1.00 0.00 H +ATOM 4649 HB3 PRO A 427 -26.924 18.128 8.467 1.00 0.00 H +ATOM 4650 HG2 PRO A 427 -29.161 16.720 8.688 1.00 0.00 H +ATOM 4651 HG3 PRO A 427 -28.358 17.487 10.127 1.00 0.00 H +ATOM 4652 HD2 PRO A 427 -30.790 18.325 8.591 1.00 0.00 H +ATOM 4653 HD3 PRO A 427 -30.426 18.396 10.402 1.00 0.00 H +ATOM 4654 N GLN A 428 -27.042 21.657 7.409 1.00 16.94 N +ATOM 4655 CA GLN A 428 -26.838 22.621 6.318 1.00 19.04 C +ATOM 4656 C GLN A 428 -25.783 22.124 5.352 1.00 21.16 C +ATOM 4657 O GLN A 428 -24.739 22.735 5.168 1.00 21.35 O +ATOM 4658 CB GLN A 428 -26.475 24.000 6.877 1.00 20.88 C +ATOM 4659 CG GLN A 428 -27.612 24.650 7.703 1.00 24.70 C +ATOM 4660 CD GLN A 428 -28.919 24.765 6.933 1.00 33.98 C +ATOM 4661 NE2 GLN A 428 -28.881 25.479 5.814 1.00 35.00 N +ATOM 4662 OE1 GLN A 428 -29.952 24.205 7.332 1.00 32.72 O +ATOM 4663 H GLN A 428 -26.385 21.669 8.176 1.00 0.00 H +ATOM 4664 HA GLN A 428 -27.777 22.715 5.772 1.00 0.00 H +ATOM 4665 HB2 GLN A 428 -25.581 23.916 7.495 1.00 0.00 H +ATOM 4666 HB3 GLN A 428 -26.200 24.662 6.056 1.00 0.00 H +ATOM 4667 HG2 GLN A 428 -27.777 24.070 8.611 1.00 0.00 H +ATOM 4668 HG3 GLN A 428 -27.299 25.640 8.034 1.00 0.00 H +ATOM 4669 HE21 GLN A 428 -28.016 25.909 5.518 1.00 0.00 H +ATOM 4670 HE22 GLN A 428 -29.717 25.592 5.259 1.00 0.00 H +ATOM 4671 N VAL A 429 -26.071 20.998 4.728 1.00 20.06 N +ATOM 4672 CA VAL A 429 -25.194 20.464 3.695 1.00 19.89 C +ATOM 4673 C VAL A 429 -25.537 21.126 2.366 1.00 21.27 C +ATOM 4674 O VAL A 429 -26.701 21.375 2.068 1.00 24.99 O +ATOM 4675 CB VAL A 429 -25.250 18.940 3.594 1.00 17.61 C +ATOM 4676 CG1 VAL A 429 -24.479 18.315 4.771 1.00 21.05 C +ATOM 4677 CG2 VAL A 429 -26.698 18.430 3.540 1.00 18.42 C +ATOM 4678 H VAL A 429 -26.912 20.491 4.964 1.00 0.00 H +ATOM 4679 HA VAL A 429 -24.172 20.743 3.951 1.00 0.00 H +ATOM 4680 HB VAL A 429 -24.753 18.644 2.670 1.00 0.00 H +ATOM 4681 HG11 VAL A 429 -24.520 17.228 4.697 1.00 0.00 H +ATOM 4682 HG12 VAL A 429 -23.440 18.642 4.739 1.00 0.00 H +ATOM 4683 HG13 VAL A 429 -24.931 18.632 5.711 1.00 0.00 H +ATOM 4684 HG21 VAL A 429 -26.698 17.342 3.468 1.00 0.00 H +ATOM 4685 HG22 VAL A 429 -27.225 18.734 4.444 1.00 0.00 H +ATOM 4686 HG23 VAL A 429 -27.200 18.851 2.669 1.00 0.00 H +ATOM 4687 N THR A 430 -24.505 21.424 1.593 1.00 21.24 N +ATOM 4688 CA THR A 430 -24.638 22.188 0.362 1.00 24.63 C +ATOM 4689 C THR A 430 -24.695 21.282 -0.858 1.00 24.14 C +ATOM 4690 O THR A 430 -25.107 21.686 -1.953 1.00 25.68 O +ATOM 4691 CB THR A 430 -23.496 23.191 0.237 1.00 23.27 C +ATOM 4692 CG2 THR A 430 -23.575 24.179 1.372 1.00 29.55 C +ATOM 4693 OG1 THR A 430 -22.239 22.504 0.276 1.00 29.18 O +ATOM 4694 H THR A 430 -23.577 21.118 1.849 1.00 0.00 H +ATOM 4695 HA THR A 430 -25.573 22.746 0.411 1.00 0.00 H +ATOM 4696 HB THR A 430 -23.586 23.723 -0.710 1.00 0.00 H +ATOM 4697 HG1 THR A 430 -21.524 23.140 0.197 1.00 0.00 H +ATOM 4698 HG21 THR A 430 -22.760 24.898 1.286 1.00 0.00 H +ATOM 4699 HG22 THR A 430 -24.529 24.705 1.331 1.00 0.00 H +ATOM 4700 HG23 THR A 430 -23.493 23.650 2.321 1.00 0.00 H +ATOM 4701 N SER A 431 -24.299 20.037 -0.669 1.00 20.87 N +ATOM 4702 CA SER A 431 -24.370 19.064 -1.727 1.00 22.07 C +ATOM 4703 C SER A 431 -24.438 17.680 -1.138 1.00 23.68 C +ATOM 4704 O SER A 431 -24.187 17.457 0.063 1.00 16.83 O +ATOM 4705 CB SER A 431 -23.164 19.156 -2.657 1.00 24.01 C +ATOM 4706 OG SER A 431 -22.045 18.494 -2.103 1.00 21.86 O +ATOM 4707 H SER A 431 -23.938 19.753 0.231 1.00 0.00 H +ATOM 4708 HA SER A 431 -25.275 19.243 -2.308 1.00 0.00 H +ATOM 4709 HB2 SER A 431 -23.412 18.707 -3.619 1.00 0.00 H +ATOM 4710 HB3 SER A 431 -22.917 20.204 -2.829 1.00 0.00 H +ATOM 4711 HG SER A 431 -21.300 18.565 -2.705 1.00 0.00 H +ATOM 4712 N GLU A 432 -24.747 16.750 -2.025 1.00 24.70 N +ATOM 4713 CA GLU A 432 -24.893 15.359 -1.680 1.00 27.66 C +ATOM 4714 C GLU A 432 -23.574 14.772 -1.191 1.00 25.33 C +ATOM 4715 O GLU A 432 -23.593 13.708 -0.574 1.00 32.51 O +ATOM 4716 CB GLU A 432 -25.476 14.568 -2.878 1.00 30.19 C +ATOM 4717 CG GLU A 432 -26.836 15.143 -3.406 1.00 36.28 C +ATOM 4718 CD GLU A 432 -27.370 14.498 -4.701 1.00 37.36 C +ATOM 4719 OE1 GLU A 432 -27.213 15.099 -5.792 1.00 31.91 O +ATOM 4720 OE2 GLU A 432 -27.979 13.408 -4.615 1.00 38.37 O1- +ATOM 4721 H GLU A 432 -24.892 17.003 -2.992 1.00 0.00 H +ATOM 4722 HA GLU A 432 -25.609 15.294 -0.860 1.00 0.00 H +ATOM 4723 HB2 GLU A 432 -24.749 14.554 -3.690 1.00 0.00 H +ATOM 4724 HB3 GLU A 432 -25.611 13.525 -2.591 1.00 0.00 H +ATOM 4725 HG2 GLU A 432 -27.591 15.059 -2.624 1.00 0.00 H +ATOM 4726 HG3 GLU A 432 -26.739 16.219 -3.553 1.00 0.00 H +ATOM 4727 N THR A 433 -22.445 15.466 -1.445 1.00 21.67 N +ATOM 4728 CA THR A 433 -21.095 15.026 -1.031 1.00 23.71 C +ATOM 4729 C THR A 433 -20.443 15.859 0.087 1.00 22.08 C +ATOM 4730 O THR A 433 -19.295 15.616 0.456 1.00 24.87 O +ATOM 4731 CB THR A 433 -20.084 14.975 -2.210 1.00 26.41 C +ATOM 4732 CG2 THR A 433 -20.591 14.080 -3.315 1.00 30.10 C +ATOM 4733 OG1 THR A 433 -19.835 16.295 -2.716 1.00 23.91 O +ATOM 4734 H THR A 433 -22.492 16.342 -1.946 1.00 0.00 H +ATOM 4735 HA THR A 433 -21.194 14.009 -0.653 1.00 0.00 H +ATOM 4736 HB THR A 433 -19.144 14.566 -1.840 1.00 0.00 H +ATOM 4737 HG1 THR A 433 -19.210 16.247 -3.443 1.00 0.00 H +ATOM 4738 HG21 THR A 433 -19.866 14.060 -4.129 1.00 0.00 H +ATOM 4739 HG22 THR A 433 -20.731 13.070 -2.930 1.00 0.00 H +ATOM 4740 HG23 THR A 433 -21.542 14.462 -3.685 1.00 0.00 H +ATOM 4741 N ASP A 434 -21.165 16.838 0.616 1.00 18.65 N +ATOM 4742 CA ASP A 434 -20.681 17.678 1.701 1.00 17.98 C +ATOM 4743 C ASP A 434 -20.508 16.855 3.000 1.00 17.36 C +ATOM 4744 O ASP A 434 -21.480 16.271 3.481 1.00 19.48 O +ATOM 4745 CB ASP A 434 -21.683 18.828 1.899 1.00 19.98 C +ATOM 4746 CG ASP A 434 -21.258 19.839 2.952 1.00 18.70 C +ATOM 4747 OD1 ASP A 434 -20.259 19.617 3.671 1.00 17.13 O +ATOM 4748 OD2 ASP A 434 -21.971 20.867 3.084 1.00 18.66 O1- +ATOM 4749 H ASP A 434 -22.094 17.026 0.266 1.00 0.00 H +ATOM 4750 HA ASP A 434 -19.715 18.097 1.418 1.00 0.00 H +ATOM 4751 HB2 ASP A 434 -21.839 19.339 0.949 1.00 0.00 H +ATOM 4752 HB3 ASP A 434 -22.657 18.417 2.165 1.00 0.00 H +ATOM 4753 N THR A 435 -19.277 16.764 3.514 1.00 12.93 N +ATOM 4754 CA THR A 435 -18.960 15.965 4.720 1.00 13.73 C +ATOM 4755 C THR A 435 -18.631 16.832 5.935 1.00 13.52 C +ATOM 4756 O THR A 435 -17.903 16.401 6.840 1.00 13.68 O +ATOM 4757 CB THR A 435 -17.824 14.935 4.457 1.00 14.45 C +ATOM 4758 CG2 THR A 435 -18.226 13.924 3.425 1.00 14.23 C +ATOM 4759 OG1 THR A 435 -16.655 15.612 3.991 1.00 15.70 O +ATOM 4760 H THR A 435 -18.510 17.254 3.077 1.00 0.00 H +ATOM 4761 HA THR A 435 -19.855 15.395 4.969 1.00 0.00 H +ATOM 4762 HB THR A 435 -17.589 14.419 5.388 1.00 0.00 H +ATOM 4763 HG1 THR A 435 -15.957 14.973 3.830 1.00 0.00 H +ATOM 4764 HG21 THR A 435 -17.408 13.221 3.267 1.00 0.00 H +ATOM 4765 HG22 THR A 435 -19.108 13.384 3.769 1.00 0.00 H +ATOM 4766 HG23 THR A 435 -18.454 14.432 2.488 1.00 0.00 H +ATOM 4767 N ARG A 436 -19.193 18.038 5.989 1.00 12.05 N +ATOM 4768 CA ARG A 436 -18.895 18.972 7.094 1.00 11.92 C +ATOM 4769 C ARG A 436 -19.254 18.463 8.490 1.00 12.20 C +ATOM 4770 O ARG A 436 -18.722 18.938 9.483 1.00 15.83 O +ATOM 4771 CB ARG A 436 -19.569 20.331 6.896 1.00 13.37 C +ATOM 4772 CG ARG A 436 -21.093 20.282 6.998 1.00 13.44 C +ATOM 4773 CD ARG A 436 -21.754 21.653 6.778 1.00 18.85 C +ATOM 4774 NE ARG A 436 -21.444 22.159 5.445 1.00 19.79 N +ATOM 4775 CZ ARG A 436 -21.602 23.418 5.048 1.00 33.99 C +ATOM 4776 NH1 ARG A 436 -22.094 24.342 5.878 1.00 38.60 N1+ +ATOM 4777 NH2 ARG A 436 -21.277 23.753 3.804 1.00 34.49 N1+ +ATOM 4778 H ARG A 436 -19.836 18.328 5.266 1.00 0.00 H +ATOM 4779 HA ARG A 436 -17.819 19.145 7.084 1.00 0.00 H +ATOM 4780 HB2 ARG A 436 -19.180 21.038 7.629 1.00 0.00 H +ATOM 4781 HB3 ARG A 436 -19.284 20.738 5.926 1.00 0.00 H +ATOM 4782 HG2 ARG A 436 -21.482 19.571 6.269 1.00 0.00 H +ATOM 4783 HG3 ARG A 436 -21.378 19.895 7.976 1.00 0.00 H +ATOM 4784 HD2 ARG A 436 -22.834 21.557 6.888 1.00 0.00 H +ATOM 4785 HD3 ARG A 436 -21.390 22.356 7.527 1.00 0.00 H +ATOM 4786 HE ARG A 436 -21.083 21.468 4.802 1.00 0.00 H +ATOM 4787 HH11 ARG A 436 -22.351 24.088 6.821 1.00 0.00 H +ATOM 4788 HH12 ARG A 436 -22.208 25.295 5.562 1.00 0.00 H +ATOM 4789 HH21 ARG A 436 -20.914 23.054 3.171 1.00 0.00 H +ATOM 4790 HH22 ARG A 436 -21.393 24.706 3.491 1.00 0.00 H +ATOM 4791 N TYR A 437 -20.175 17.501 8.560 1.00 12.69 N +ATOM 4792 CA TYR A 437 -20.573 16.908 9.850 1.00 11.46 C +ATOM 4793 C TYR A 437 -19.836 15.610 10.227 1.00 11.00 C +ATOM 4794 O TYR A 437 -20.300 14.845 11.088 1.00 12.46 O +ATOM 4795 CB TYR A 437 -22.089 16.716 9.903 1.00 10.28 C +ATOM 4796 CG TYR A 437 -22.835 18.029 9.730 1.00 13.72 C +ATOM 4797 CD1 TYR A 437 -22.639 19.096 10.622 1.00 17.10 C +ATOM 4798 CD2 TYR A 437 -23.697 18.221 8.668 1.00 12.42 C +ATOM 4799 CE1 TYR A 437 -23.334 20.315 10.470 1.00 15.17 C +ATOM 4800 CE2 TYR A 437 -24.397 19.425 8.508 1.00 15.74 C +ATOM 4801 CZ TYR A 437 -24.188 20.476 9.389 1.00 15.76 C +ATOM 4802 OH TYR A 437 -24.904 21.666 9.210 1.00 18.44 O +ATOM 4803 H TYR A 437 -20.617 17.163 7.717 1.00 0.00 H +ATOM 4804 HA TYR A 437 -20.325 17.640 10.618 1.00 0.00 H +ATOM 4805 HB2 TYR A 437 -22.394 16.020 9.121 1.00 0.00 H +ATOM 4806 HB3 TYR A 437 -22.364 16.266 10.857 1.00 0.00 H +ATOM 4807 HD1 TYR A 437 -21.946 18.993 11.444 1.00 0.00 H +ATOM 4808 HD2 TYR A 437 -23.842 17.435 7.941 1.00 0.00 H +ATOM 4809 HE1 TYR A 437 -23.197 21.108 11.190 1.00 0.00 H +ATOM 4810 HE2 TYR A 437 -25.101 19.536 7.697 1.00 0.00 H +ATOM 4811 HH TYR A 437 -25.440 21.601 8.416 1.00 0.00 H +ATOM 4812 N PHE A 438 -18.665 15.400 9.616 1.00 10.83 N +ATOM 4813 CA PHE A 438 -17.798 14.277 9.889 1.00 11.29 C +ATOM 4814 C PHE A 438 -16.430 14.805 10.299 1.00 12.94 C +ATOM 4815 O PHE A 438 -15.955 15.778 9.726 1.00 13.90 O +ATOM 4816 CB PHE A 438 -17.687 13.376 8.651 1.00 12.50 C +ATOM 4817 CG PHE A 438 -18.960 12.651 8.357 1.00 10.95 C +ATOM 4818 CD1 PHE A 438 -19.209 11.384 8.886 1.00 10.69 C +ATOM 4819 CD2 PHE A 438 -19.967 13.286 7.645 1.00 10.09 C +ATOM 4820 CE1 PHE A 438 -20.436 10.725 8.646 1.00 12.31 C +ATOM 4821 CE2 PHE A 438 -21.182 12.630 7.394 1.00 12.12 C +ATOM 4822 CZ PHE A 438 -21.412 11.358 7.909 1.00 15.10 C +ATOM 4823 H PHE A 438 -18.338 16.049 8.915 1.00 0.00 H +ATOM 4824 HA PHE A 438 -18.216 13.698 10.713 1.00 0.00 H +ATOM 4825 HB2 PHE A 438 -17.406 13.979 7.788 1.00 0.00 H +ATOM 4826 HB3 PHE A 438 -16.884 12.653 8.799 1.00 0.00 H +ATOM 4827 HD1 PHE A 438 -18.459 10.893 9.488 1.00 0.00 H +ATOM 4828 HD2 PHE A 438 -19.819 14.292 7.280 1.00 0.00 H +ATOM 4829 HE1 PHE A 438 -20.602 9.733 9.039 1.00 0.00 H +ATOM 4830 HE2 PHE A 438 -21.943 13.112 6.799 1.00 0.00 H +ATOM 4831 HZ PHE A 438 -22.357 10.867 7.730 1.00 0.00 H +ATOM 4832 N ASP A 439 -15.826 14.138 11.276 1.00 15.21 N +ATOM 4833 CA ASP A 439 -14.495 14.472 11.758 1.00 17.90 C +ATOM 4834 C ASP A 439 -13.466 14.474 10.625 1.00 16.77 C +ATOM 4835 O ASP A 439 -13.314 13.502 9.899 1.00 13.70 O +ATOM 4836 CB ASP A 439 -14.114 13.446 12.819 1.00 18.04 C +ATOM 4837 CG ASP A 439 -12.920 13.853 13.639 1.00 25.67 C +ATOM 4838 OD1 ASP A 439 -12.804 13.305 14.761 1.00 40.33 O +ATOM 4839 OD2 ASP A 439 -12.112 14.694 13.182 1.00 26.85 O1- +ATOM 4840 H ASP A 439 -16.292 13.360 11.720 1.00 0.00 H +ATOM 4841 HA ASP A 439 -14.521 15.461 12.215 1.00 0.00 H +ATOM 4842 HB2 ASP A 439 -14.965 13.275 13.479 1.00 0.00 H +ATOM 4843 HB3 ASP A 439 -13.914 12.487 12.340 1.00 0.00 H +ATOM 4844 N GLU A 440 -12.738 15.584 10.514 1.00 17.99 N +ATOM 4845 CA GLU A 440 -11.649 15.750 9.556 1.00 17.81 C +ATOM 4846 C GLU A 440 -10.546 14.694 9.700 1.00 15.56 C +ATOM 4847 O GLU A 440 -9.850 14.403 8.730 1.00 15.85 O +ATOM 4848 CB GLU A 440 -11.070 17.152 9.718 1.00 20.10 C +ATOM 4849 CG GLU A 440 -10.094 17.577 8.639 1.00 29.59 C +ATOM 4850 CD GLU A 440 -9.713 19.045 8.731 1.00 39.79 C +ATOM 4851 OE1 GLU A 440 -8.751 19.437 8.037 1.00 36.31 O +ATOM 4852 OE2 GLU A 440 -10.375 19.802 9.481 1.00 42.08 O1- +ATOM 4853 H GLU A 440 -12.927 16.374 11.114 1.00 0.00 H +ATOM 4854 HA GLU A 440 -12.066 15.670 8.552 1.00 0.00 H +ATOM 4855 HB2 GLU A 440 -11.885 17.874 9.772 1.00 0.00 H +ATOM 4856 HB3 GLU A 440 -10.588 17.232 10.692 1.00 0.00 H +ATOM 4857 HG2 GLU A 440 -9.194 16.965 8.703 1.00 0.00 H +ATOM 4858 HG3 GLU A 440 -10.527 17.376 7.659 1.00 0.00 H +ATOM 4859 N GLU A 441 -10.391 14.137 10.894 1.00 15.62 N +ATOM 4860 CA GLU A 441 -9.481 13.008 11.114 1.00 17.44 C +ATOM 4861 C GLU A 441 -9.722 11.883 10.107 1.00 17.23 C +ATOM 4862 O GLU A 441 -8.781 11.216 9.652 1.00 17.60 O +ATOM 4863 CB GLU A 441 -9.614 12.488 12.550 1.00 20.07 C +ATOM 4864 CG GLU A 441 -8.640 11.392 12.945 1.00 27.24 C +ATOM 4865 CD GLU A 441 -7.159 11.762 12.752 1.00 35.39 C +ATOM 4866 OE1 GLU A 441 -6.404 10.880 12.285 1.00 48.57 O +ATOM 4867 OE2 GLU A 441 -6.750 12.912 13.042 1.00 35.51 O1- +ATOM 4868 H GLU A 441 -10.908 14.489 11.687 1.00 0.00 H +ATOM 4869 HA GLU A 441 -8.461 13.367 10.979 1.00 0.00 H +ATOM 4870 HB2 GLU A 441 -9.518 13.322 13.245 1.00 0.00 H +ATOM 4871 HB3 GLU A 441 -10.634 12.139 12.714 1.00 0.00 H +ATOM 4872 HG2 GLU A 441 -8.810 11.115 13.985 1.00 0.00 H +ATOM 4873 HG3 GLU A 441 -8.863 10.489 12.378 1.00 0.00 H +ATOM 4874 N PHE A 442 -10.987 11.677 9.749 1.00 14.44 N +ATOM 4875 CA PHE A 442 -11.365 10.693 8.739 1.00 13.24 C +ATOM 4876 C PHE A 442 -11.417 11.272 7.333 1.00 9.88 C +ATOM 4877 O PHE A 442 -10.777 10.747 6.426 1.00 12.74 O +ATOM 4878 CB PHE A 442 -12.701 10.020 9.096 1.00 13.39 C +ATOM 4879 CG PHE A 442 -12.694 9.409 10.445 1.00 14.88 C +ATOM 4880 CD1 PHE A 442 -11.840 8.355 10.731 1.00 15.36 C +ATOM 4881 CD2 PHE A 442 -13.480 9.922 11.460 1.00 16.02 C +ATOM 4882 CE1 PHE A 442 -11.796 7.815 12.005 1.00 19.83 C +ATOM 4883 CE2 PHE A 442 -13.436 9.376 12.733 1.00 19.15 C +ATOM 4884 CZ PHE A 442 -12.585 8.328 12.998 1.00 19.70 C +ATOM 4885 H PHE A 442 -11.727 12.211 10.181 1.00 0.00 H +ATOM 4886 HA PHE A 442 -10.600 9.916 8.741 1.00 0.00 H +ATOM 4887 HB2 PHE A 442 -13.504 10.754 9.035 1.00 0.00 H +ATOM 4888 HB3 PHE A 442 -12.931 9.256 8.354 1.00 0.00 H +ATOM 4889 HD1 PHE A 442 -11.204 7.950 9.958 1.00 0.00 H +ATOM 4890 HD2 PHE A 442 -14.137 10.757 11.265 1.00 0.00 H +ATOM 4891 HE1 PHE A 442 -11.137 6.986 12.218 1.00 0.00 H +ATOM 4892 HE2 PHE A 442 -14.068 9.773 13.513 1.00 0.00 H +ATOM 4893 HZ PHE A 442 -12.541 7.910 13.993 1.00 0.00 H +ATOM 4894 N THR A 443 -12.169 12.357 7.119 1.00 12.79 N +ATOM 4895 CA THR A 443 -12.406 12.834 5.753 0.50 14.66 C +ATOM 4896 C THR A 443 -11.145 13.336 5.050 1.00 12.96 C +ATOM 4897 O THR A 443 -11.114 13.369 3.823 1.00 14.93 O +ATOM 4898 CB THR A 443 -13.507 13.901 5.688 0.50 14.95 C +ATOM 4899 CG2 THR A 443 -13.163 15.062 6.527 0.50 16.96 C +ATOM 4900 OG1 THR A 443 -13.655 14.346 4.334 0.50 26.57 O +ATOM 4901 H THR A 443 -12.576 12.851 7.900 1.00 0.00 H +ATOM 4902 HA THR A 443 -12.764 11.979 5.180 0.50 0.00 H +ATOM 4903 HB THR A 443 -14.448 13.472 6.033 0.50 0.00 H +ATOM 4904 HG1 THR A 443 -14.343 15.014 4.290 0.50 0.00 H +ATOM 4905 HG21 THR A 443 -13.958 15.805 6.464 0.50 0.00 H +ATOM 4906 HG22 THR A 443 -13.047 14.741 7.562 0.50 0.00 H +ATOM 4907 HG23 THR A 443 -12.229 15.501 6.176 0.50 0.00 H +ATOM 4908 N ALA A 444 -10.121 13.707 5.817 1.00 14.86 N +ATOM 4909 CA ALA A 444 -8.833 14.142 5.218 1.00 15.21 C +ATOM 4910 C ALA A 444 -7.980 13.004 4.659 1.00 17.90 C +ATOM 4911 O ALA A 444 -7.061 13.254 3.877 1.00 19.56 O +ATOM 4912 CB ALA A 444 -8.019 14.920 6.221 1.00 17.76 C +ATOM 4913 H ALA A 444 -10.213 13.695 6.823 1.00 0.00 H +ATOM 4914 HA ALA A 444 -9.066 14.814 4.392 1.00 0.00 H +ATOM 4915 HB1 ALA A 444 -7.079 15.230 5.765 1.00 0.00 H +ATOM 4916 HB2 ALA A 444 -8.577 15.801 6.537 1.00 0.00 H +ATOM 4917 HB3 ALA A 444 -7.812 14.292 7.087 1.00 0.00 H +ATOM 4918 N GLN A 445 -8.266 11.765 5.059 1.00 15.95 N +ATOM 4919 CA GLN A 445 -7.445 10.627 4.660 1.00 16.39 C +ATOM 4920 C GLN A 445 -7.595 10.287 3.184 1.00 18.85 C +ATOM 4921 O GLN A 445 -8.679 10.402 2.623 1.00 19.18 O +ATOM 4922 CB GLN A 445 -7.785 9.403 5.496 1.00 15.58 C +ATOM 4923 CG GLN A 445 -7.649 9.612 7.004 1.00 18.02 C +ATOM 4924 CD GLN A 445 -7.710 8.331 7.800 1.00 17.17 C +ATOM 4925 NE2 GLN A 445 -8.109 8.451 9.062 1.00 18.60 N +ATOM 4926 OE1 GLN A 445 -7.385 7.247 7.305 1.00 23.03 O +ATOM 4927 H GLN A 445 -9.066 11.598 5.652 1.00 0.00 H +ATOM 4928 HA GLN A 445 -6.401 10.882 4.844 1.00 0.00 H +ATOM 4929 HB2 GLN A 445 -8.800 9.080 5.266 1.00 0.00 H +ATOM 4930 HB3 GLN A 445 -7.154 8.569 5.189 1.00 0.00 H +ATOM 4931 HG2 GLN A 445 -6.710 10.125 7.215 1.00 0.00 H +ATOM 4932 HG3 GLN A 445 -8.431 10.289 7.347 1.00 0.00 H +ATOM 4933 HE21 GLN A 445 -8.349 9.360 9.432 1.00 0.00 H +ATOM 4934 HE22 GLN A 445 -8.173 7.633 9.651 1.00 0.00 H +ATOM 4935 N MET A 446 -6.509 9.849 2.559 1.00 17.76 N +ATOM 4936 CA MET A 446 -6.544 9.455 1.167 1.00 19.75 C +ATOM 4937 C MET A 446 -7.213 8.089 1.053 1.00 21.56 C +ATOM 4938 O MET A 446 -7.034 7.234 1.907 1.00 24.09 O +ATOM 4939 CB MET A 446 -5.128 9.388 0.575 1.00 22.34 C +ATOM 4940 CG MET A 446 -4.329 10.697 0.605 1.00 25.92 C +ATOM 4941 SD MET A 446 -5.010 12.083 -0.322 1.00 36.87 S +ATOM 4942 CE MET A 446 -5.840 12.975 0.978 1.00 39.50 C +ATOM 4943 H MET A 446 -5.632 9.785 3.056 1.00 0.00 H +ATOM 4944 HA MET A 446 -7.129 10.184 0.606 1.00 0.00 H +ATOM 4945 HB2 MET A 446 -4.561 8.609 1.085 1.00 0.00 H +ATOM 4946 HB3 MET A 446 -5.184 9.024 -0.451 1.00 0.00 H +ATOM 4947 HG2 MET A 446 -4.175 10.999 1.641 1.00 0.00 H +ATOM 4948 HG3 MET A 446 -3.311 10.504 0.266 1.00 0.00 H +ATOM 4949 HE1 MET A 446 -6.314 13.865 0.563 1.00 0.00 H +ATOM 4950 HE2 MET A 446 -6.599 12.337 1.430 1.00 0.00 H +ATOM 4951 HE3 MET A 446 -5.115 13.270 1.737 1.00 0.00 H +ATOM 4952 N ILE A 447 -8.002 7.920 0.000 1.00 27.46 N +ATOM 4953 CA ILE A 447 -8.608 6.642 -0.337 1.00 33.04 C +ATOM 4954 C ILE A 447 -7.825 6.002 -1.473 1.00 33.18 C +ATOM 4955 O ILE A 447 -7.605 6.631 -2.509 1.00 32.35 O +ATOM 4956 CB ILE A 447 -10.058 6.828 -0.821 1.00 34.52 C +ATOM 4957 CG1 ILE A 447 -10.926 7.345 0.318 1.00 34.65 C +ATOM 4958 CG2 ILE A 447 -10.629 5.499 -1.392 1.00 38.75 C +ATOM 4959 CD1 ILE A 447 -12.281 7.754 -0.139 1.00 38.17 C +ATOM 4960 H ILE A 447 -8.205 8.700 -0.609 1.00 0.00 H +ATOM 4961 HA ILE A 447 -8.593 5.987 0.534 1.00 0.00 H +ATOM 4962 HB ILE A 447 -10.060 7.572 -1.618 1.00 0.00 H +ATOM 4963 HG12 ILE A 447 -11.019 6.573 1.082 1.00 0.00 H +ATOM 4964 HG13 ILE A 447 -10.433 8.193 0.793 1.00 0.00 H +ATOM 4965 HG21 ILE A 447 -11.654 5.658 -1.727 1.00 0.00 H +ATOM 4966 HG22 ILE A 447 -10.019 5.173 -2.234 1.00 0.00 H +ATOM 4967 HG23 ILE A 447 -10.615 4.734 -0.616 1.00 0.00 H +ATOM 4968 HD11 ILE A 447 -12.859 8.115 0.712 1.00 0.00 H +ATOM 4969 HD12 ILE A 447 -12.191 8.549 -0.879 1.00 0.00 H +ATOM 4970 HD13 ILE A 447 -12.788 6.899 -0.585 1.00 0.00 H +ATOM 4971 N THR A 448 -7.420 4.756 -1.277 1.00 36.58 N +ATOM 4972 CA THR A 448 -6.936 3.924 -2.378 1.00 41.82 C +ATOM 4973 C THR A 448 -7.567 2.546 -2.256 1.00 44.94 C +ATOM 4974 O THR A 448 -7.029 1.659 -1.592 1.00 49.13 O +ATOM 4975 CB THR A 448 -5.397 3.769 -2.387 1.00 41.92 C +ATOM 4976 CG2 THR A 448 -4.714 5.120 -2.559 1.00 43.16 C +ATOM 4977 OG1 THR A 448 -4.965 3.159 -1.162 1.00 42.57 O +ATOM 4978 H THR A 448 -7.441 4.358 -0.349 1.00 0.00 H +ATOM 4979 HA THR A 448 -7.250 4.372 -3.321 1.00 0.00 H +ATOM 4980 HB THR A 448 -5.114 3.124 -3.219 1.00 0.00 H +ATOM 4981 HG1 THR A 448 -4.010 3.064 -1.171 1.00 0.00 H +ATOM 4982 HG21 THR A 448 -3.633 4.983 -2.562 1.00 0.00 H +ATOM 4983 HG22 THR A 448 -5.026 5.568 -3.503 1.00 0.00 H +ATOM 4984 HG23 THR A 448 -4.994 5.777 -1.736 1.00 0.00 H +ATOM 4985 N ILE A 449 -8.717 2.368 -2.884 1.00 48.04 N +ATOM 4986 CA ILE A 449 -9.345 1.053 -2.911 1.00 50.72 C +ATOM 4987 C ILE A 449 -8.571 0.151 -3.884 1.00 53.66 C +ATOM 4988 O ILE A 449 -8.218 0.558 -5.006 1.00 55.29 O +ATOM 4989 CB ILE A 449 -10.865 1.130 -3.252 1.00 49.33 C +ATOM 4990 CG1 ILE A 449 -11.608 1.917 -2.173 1.00 45.95 C +ATOM 4991 CG2 ILE A 449 -11.479 -0.261 -3.382 1.00 48.72 C +ATOM 4992 CD1 ILE A 449 -11.421 1.385 -0.757 1.00 45.53 C +ATOM 4993 H ILE A 449 -9.165 3.145 -3.348 1.00 0.00 H +ATOM 4994 HA ILE A 449 -9.251 0.621 -1.914 1.00 0.00 H +ATOM 4995 HB ILE A 449 -10.981 1.650 -4.203 1.00 0.00 H +ATOM 4996 HG12 ILE A 449 -11.298 2.961 -2.210 1.00 0.00 H +ATOM 4997 HG13 ILE A 449 -12.671 1.942 -2.412 1.00 0.00 H +ATOM 4998 HG21 ILE A 449 -12.539 -0.170 -3.620 1.00 0.00 H +ATOM 4999 HG22 ILE A 449 -10.974 -0.809 -4.178 1.00 0.00 H +ATOM 5000 HG23 ILE A 449 -11.363 -0.799 -2.441 1.00 0.00 H +ATOM 5001 HD11 ILE A 449 -11.984 2.004 -0.058 1.00 0.00 H +ATOM 5002 HD12 ILE A 449 -11.782 0.358 -0.704 1.00 0.00 H +ATOM 5003 HD13 ILE A 449 -10.363 1.412 -0.495 1.00 0.00 H +ATOM 5004 N THR A 450 -8.283 -1.059 -3.412 1.00 54.37 N +ATOM 5005 CA THR A 450 -7.629 -2.083 -4.208 1.00 55.50 C +ATOM 5006 C THR A 450 -8.618 -2.549 -5.287 1.00 56.44 C +ATOM 5007 O THR A 450 -9.797 -2.740 -4.984 1.00 56.01 O +ATOM 5008 CB THR A 450 -7.224 -3.286 -3.317 1.00 55.55 C +ATOM 5009 CG2 THR A 450 -6.125 -4.102 -3.974 1.00 56.75 C +ATOM 5010 OG1 THR A 450 -6.783 -2.823 -2.029 1.00 55.61 O +ATOM 5011 H THR A 450 -8.520 -1.299 -2.460 1.00 0.00 H +ATOM 5012 HA THR A 450 -6.741 -1.665 -4.683 1.00 0.00 H +ATOM 5013 HB THR A 450 -8.096 -3.925 -3.177 1.00 0.00 H +ATOM 5014 HG1 THR A 450 -6.535 -3.575 -1.486 1.00 0.00 H +ATOM 5015 HG21 THR A 450 -5.859 -4.940 -3.329 1.00 0.00 H +ATOM 5016 HG22 THR A 450 -6.477 -4.480 -4.934 1.00 0.00 H +ATOM 5017 HG23 THR A 450 -5.249 -3.473 -4.131 1.00 0.00 H +ATOM 5018 N PRO A 451 -8.158 -2.723 -6.546 1.00 57.68 N +ATOM 5019 CA PRO A 451 -9.102 -3.113 -7.612 1.00 58.92 C +ATOM 5020 C PRO A 451 -9.677 -4.525 -7.441 1.00 58.86 C +ATOM 5021 O PRO A 451 -10.885 -4.728 -7.605 1.00 58.16 O +ATOM 5022 CB PRO A 451 -8.259 -3.034 -8.898 1.00 59.43 C +ATOM 5023 CG PRO A 451 -6.974 -2.366 -8.515 1.00 59.12 C +ATOM 5024 CD PRO A 451 -6.780 -2.589 -7.053 1.00 58.34 C +ATOM 5025 HA PRO A 451 -9.916 -2.390 -7.663 1.00 0.00 H +ATOM 5026 HB2 PRO A 451 -8.050 -4.042 -9.257 1.00 0.00 H +ATOM 5027 HB3 PRO A 451 -8.779 -2.423 -9.635 1.00 0.00 H +ATOM 5028 HG2 PRO A 451 -6.150 -2.823 -9.064 1.00 0.00 H +ATOM 5029 HG3 PRO A 451 -7.048 -1.297 -8.712 1.00 0.00 H +ATOM 5030 HD2 PRO A 451 -6.247 -3.528 -6.900 1.00 0.00 H +ATOM 5031 HD3 PRO A 451 -6.319 -1.705 -6.612 1.00 0.00 H +ATOM 5032 HXT PRO A 451 -9.023 -5.343 -7.177 1.00 0.00 H +ATOM 5033 N SER A 457 -10.055 -15.756 -12.123 1.00 27.99 N +ATOM 5034 CA SER A 457 -10.869 -15.127 -11.082 1.00 27.39 C +ATOM 5035 C SER A 457 -11.066 -15.953 -9.793 1.00 25.36 C +ATOM 5036 O SER A 457 -10.495 -17.036 -9.612 1.00 23.54 O +ATOM 5037 CB SER A 457 -12.217 -14.650 -11.649 1.00 26.00 C +ATOM 5038 OG SER A 457 -13.203 -15.662 -11.630 1.00 30.22 O +ATOM 5039 HA SER A 457 -10.332 -14.226 -10.783 1.00 0.00 H +ATOM 5040 HB2 SER A 457 -12.568 -13.792 -11.076 1.00 0.00 H +ATOM 5041 HB3 SER A 457 -12.076 -14.300 -12.672 1.00 0.00 H +ATOM 5042 HG SER A 457 -14.023 -15.318 -11.992 1.00 0.00 H +ATOM 5043 H1 SER A 457 -9.988 -15.137 -12.919 1.00 0.00 H +ATOM 5044 H2 SER A 457 -9.130 -15.940 -11.762 1.00 0.00 H +ATOM 5045 N MET A 458 -11.879 -15.406 -8.891 1.00 24.48 N +ATOM 5046 CA MET A 458 -11.807 -15.774 -7.481 1.00 23.86 C +ATOM 5047 C MET A 458 -13.171 -15.752 -6.802 1.00 25.06 C +ATOM 5048 O MET A 458 -13.271 -15.708 -5.575 1.00 28.52 O +ATOM 5049 CB MET A 458 -10.799 -14.855 -6.773 1.00 25.65 C +ATOM 5050 CG MET A 458 -9.337 -15.146 -7.160 1.00 28.19 C +ATOM 5051 SD MET A 458 -8.782 -16.886 -6.950 1.00 29.65 S +ATOM 5052 CE MET A 458 -7.750 -16.712 -5.488 1.00 25.80 C +ATOM 5053 H MET A 458 -12.564 -14.721 -9.178 1.00 0.00 H +ATOM 5054 HA MET A 458 -11.424 -16.793 -7.423 1.00 0.00 H +ATOM 5055 HB2 MET A 458 -11.034 -13.816 -7.002 1.00 0.00 H +ATOM 5056 HB3 MET A 458 -10.914 -14.955 -5.694 1.00 0.00 H +ATOM 5057 HG2 MET A 458 -9.170 -14.837 -8.192 1.00 0.00 H +ATOM 5058 HG3 MET A 458 -8.677 -14.487 -6.595 1.00 0.00 H +ATOM 5059 HE1 MET A 458 -7.331 -17.682 -5.221 1.00 0.00 H +ATOM 5060 HE2 MET A 458 -6.941 -16.012 -5.695 1.00 0.00 H +ATOM 5061 HE3 MET A 458 -8.352 -16.337 -4.660 1.00 0.00 H +ATOM 5062 N GLU A 459 -14.219 -15.857 -7.615 1.00 24.04 N +ATOM 5063 CA GLU A 459 -15.591 -15.715 -7.140 1.00 24.64 C +ATOM 5064 C GLU A 459 -16.086 -16.886 -6.286 1.00 24.82 C +ATOM 5065 O GLU A 459 -17.053 -16.741 -5.540 1.00 27.24 O +ATOM 5066 CB GLU A 459 -16.543 -15.453 -8.327 1.00 26.66 C +ATOM 5067 CG GLU A 459 -17.084 -16.687 -9.076 1.00 30.90 C +ATOM 5068 CD GLU A 459 -16.109 -17.316 -10.101 1.00 29.76 C +ATOM 5069 OE1 GLU A 459 -15.018 -16.733 -10.343 1.00 28.27 O +ATOM 5070 OE2 GLU A 459 -16.447 -18.407 -10.675 1.00 29.59 O1- +ATOM 5071 H GLU A 459 -14.079 -16.041 -8.598 1.00 0.00 H +ATOM 5072 HA GLU A 459 -15.618 -14.827 -6.508 1.00 0.00 H +ATOM 5073 HB2 GLU A 459 -17.381 -14.844 -7.987 1.00 0.00 H +ATOM 5074 HB3 GLU A 459 -16.054 -14.788 -9.039 1.00 0.00 H +ATOM 5075 HG2 GLU A 459 -17.384 -17.445 -8.352 1.00 0.00 H +ATOM 5076 HG3 GLU A 459 -18.015 -16.424 -9.578 1.00 0.00 H +ATOM 5077 N CYS A 460 -15.436 -18.045 -6.395 1.00 21.95 N +ATOM 5078 CA CYS A 460 -15.849 -19.255 -5.674 1.00 23.67 C +ATOM 5079 C CYS A 460 -14.903 -19.636 -4.559 1.00 23.24 C +ATOM 5080 O CYS A 460 -15.080 -20.668 -3.910 1.00 26.12 O +ATOM 5081 CB CYS A 460 -15.964 -20.433 -6.628 1.00 22.52 C +ATOM 5082 SG CYS A 460 -17.237 -20.190 -7.810 1.00 25.10 S +ATOM 5083 H CYS A 460 -14.625 -18.115 -6.992 1.00 0.00 H +ATOM 5084 HA CYS A 460 -16.832 -19.073 -5.239 1.00 0.00 H +ATOM 5085 HB2 CYS A 460 -15.014 -20.577 -7.143 1.00 0.00 H +ATOM 5086 HB3 CYS A 460 -16.165 -21.341 -6.060 1.00 0.00 H +ATOM 5087 HG CYS A 460 -17.299 -21.248 -8.623 1.00 0.00 H +ATOM 5088 N VAL A 461 -13.915 -18.798 -4.317 1.00 23.02 N +ATOM 5089 CA VAL A 461 -12.922 -19.109 -3.321 1.00 23.16 C +ATOM 5090 C VAL A 461 -13.565 -19.054 -1.924 1.00 24.08 C +ATOM 5091 O VAL A 461 -14.288 -18.116 -1.574 1.00 23.91 O +ATOM 5092 CB VAL A 461 -11.723 -18.176 -3.424 1.00 23.72 C +ATOM 5093 CG1 VAL A 461 -10.709 -18.465 -2.328 1.00 25.26 C +ATOM 5094 CG2 VAL A 461 -11.082 -18.318 -4.796 1.00 22.63 C +ATOM 5095 H VAL A 461 -13.851 -17.931 -4.831 1.00 0.00 H +ATOM 5096 HA VAL A 461 -12.575 -20.128 -3.495 1.00 0.00 H +ATOM 5097 HB VAL A 461 -12.072 -17.150 -3.310 1.00 0.00 H +ATOM 5098 HG11 VAL A 461 -9.863 -17.784 -2.426 1.00 0.00 H +ATOM 5099 HG12 VAL A 461 -11.177 -18.325 -1.353 1.00 0.00 H +ATOM 5100 HG13 VAL A 461 -10.359 -19.493 -2.418 1.00 0.00 H +ATOM 5101 HG21 VAL A 461 -10.224 -17.649 -4.868 1.00 0.00 H +ATOM 5102 HG22 VAL A 461 -10.753 -19.347 -4.939 1.00 0.00 H +ATOM 5103 HG23 VAL A 461 -11.809 -18.059 -5.566 1.00 0.00 H +ATOM 5104 N ASP A 462 -13.282 -20.085 -1.142 1.00 21.44 N +ATOM 5105 CA ASP A 462 -13.870 -20.271 0.175 1.00 19.47 C +ATOM 5106 C ASP A 462 -12.796 -20.902 1.058 1.00 18.82 C +ATOM 5107 O ASP A 462 -12.571 -22.120 1.019 1.00 19.85 O +ATOM 5108 CB ASP A 462 -15.103 -21.155 0.070 1.00 20.25 C +ATOM 5109 CG ASP A 462 -15.829 -21.344 1.401 1.00 22.13 C +ATOM 5110 OD1 ASP A 462 -15.525 -20.651 2.389 1.00 20.87 O +ATOM 5111 OD2 ASP A 462 -16.747 -22.195 1.437 1.00 28.28 O1- +ATOM 5112 H ASP A 462 -12.629 -20.790 -1.453 1.00 0.00 H +ATOM 5113 HA ASP A 462 -14.153 -19.302 0.586 1.00 0.00 H +ATOM 5114 HB2 ASP A 462 -15.792 -20.730 -0.661 1.00 0.00 H +ATOM 5115 HB3 ASP A 462 -14.817 -22.129 -0.328 1.00 0.00 H +ATOM 5116 N SER A 463 -12.088 -20.057 1.802 1.00 17.16 N +ATOM 5117 CA SER A 463 -11.013 -20.503 2.667 1.00 17.31 C +ATOM 5118 C SER A 463 -11.290 -20.233 4.137 1.00 18.76 C +ATOM 5119 O SER A 463 -12.178 -19.442 4.490 1.00 16.77 O +ATOM 5120 CB SER A 463 -9.717 -19.813 2.252 1.00 17.99 C +ATOM 5121 OG SER A 463 -9.682 -18.466 2.697 1.00 18.95 O +ATOM 5122 H SER A 463 -12.292 -19.068 1.776 1.00 0.00 H +ATOM 5123 HA SER A 463 -10.888 -21.577 2.533 1.00 0.00 H +ATOM 5124 HB2 SER A 463 -8.868 -20.355 2.669 1.00 0.00 H +ATOM 5125 HB3 SER A 463 -9.624 -19.839 1.166 1.00 0.00 H +ATOM 5126 HG SER A 463 -8.857 -18.059 2.422 1.00 0.00 H +ATOM 5127 N GLU A 464 -10.497 -20.835 5.005 1.00 17.55 N +ATOM 5128 CA GLU A 464 -10.691 -20.660 6.449 1.00 20.25 C +ATOM 5129 C GLU A 464 -10.549 -19.196 6.857 1.00 20.84 C +ATOM 5130 O GLU A 464 -11.304 -18.709 7.706 1.00 18.23 O +ATOM 5131 CB GLU A 464 -9.690 -21.490 7.237 1.00 20.65 C +ATOM 5132 CG GLU A 464 -9.806 -22.972 7.002 1.00 26.64 C +ATOM 5133 CD GLU A 464 -9.020 -23.802 8.015 1.00 34.49 C +ATOM 5134 OE1 GLU A 464 -7.923 -23.374 8.440 1.00 34.18 O +ATOM 5135 OE2 GLU A 464 -9.515 -24.892 8.373 1.00 46.37 O1- +ATOM 5136 H GLU A 464 -9.745 -21.425 4.678 1.00 0.00 H +ATOM 5137 HA GLU A 464 -11.696 -20.995 6.706 1.00 0.00 H +ATOM 5138 HB2 GLU A 464 -8.679 -21.164 6.994 1.00 0.00 H +ATOM 5139 HB3 GLU A 464 -9.806 -21.283 8.301 1.00 0.00 H +ATOM 5140 HG2 GLU A 464 -10.856 -23.262 7.033 1.00 0.00 H +ATOM 5141 HG3 GLU A 464 -9.460 -23.207 5.995 1.00 0.00 H +ATOM 5142 N ARG A 465 -9.584 -18.505 6.247 1.00 20.16 N +ATOM 5143 CA ARG A 465 -9.302 -17.094 6.571 1.00 23.27 C +ATOM 5144 C ARG A 465 -10.143 -16.095 5.790 1.00 22.68 C +ATOM 5145 O ARG A 465 -10.320 -14.953 6.229 1.00 24.89 O +ATOM 5146 CB ARG A 465 -7.806 -16.794 6.389 1.00 24.68 C +ATOM 5147 CG ARG A 465 -7.036 -16.989 7.669 1.00 36.55 C +ATOM 5148 CD ARG A 465 -5.763 -17.753 7.488 1.00 47.42 C +ATOM 5149 NE ARG A 465 -5.562 -18.615 8.656 1.00 57.83 N +ATOM 5150 CZ ARG A 465 -5.828 -19.922 8.708 1.00 61.17 C +ATOM 5151 NH1 ARG A 465 -5.619 -20.584 9.839 1.00 62.45 N1+ +ATOM 5152 NH2 ARG A 465 -6.284 -20.578 7.643 1.00 61.85 N1+ +ATOM 5153 H ARG A 465 -9.018 -18.947 5.537 1.00 0.00 H +ATOM 5154 HA ARG A 465 -9.533 -16.954 7.627 1.00 0.00 H +ATOM 5155 HB2 ARG A 465 -7.397 -17.445 5.617 1.00 0.00 H +ATOM 5156 HB3 ARG A 465 -7.681 -15.768 6.044 1.00 0.00 H +ATOM 5157 HG2 ARG A 465 -6.815 -16.017 8.110 1.00 0.00 H +ATOM 5158 HG3 ARG A 465 -7.666 -17.502 8.395 1.00 0.00 H +ATOM 5159 HD2 ARG A 465 -5.833 -18.368 6.591 1.00 0.00 H +ATOM 5160 HD3 ARG A 465 -4.930 -17.055 7.404 1.00 0.00 H +ATOM 5161 HE ARG A 465 -5.190 -18.143 9.468 1.00 0.00 H +ATOM 5162 HH11 ARG A 465 -5.262 -20.099 10.650 1.00 0.00 H +ATOM 5163 HH12 ARG A 465 -5.817 -21.573 9.889 1.00 0.00 H +ATOM 5164 HH21 ARG A 465 -6.435 -20.087 6.774 1.00 0.00 H +ATOM 5165 HH22 ARG A 465 -6.479 -21.567 7.704 1.00 0.00 H +ATOM 5166 N ARG A 466 -10.651 -16.527 4.641 1.00 18.12 N +ATOM 5167 CA ARG A 466 -11.479 -15.709 3.755 1.00 17.26 C +ATOM 5168 C ARG A 466 -12.655 -16.540 3.242 1.00 16.01 C +ATOM 5169 O ARG A 466 -12.677 -16.986 2.092 1.00 15.93 O +ATOM 5170 CB ARG A 466 -10.636 -15.156 2.613 1.00 19.07 C +ATOM 5171 CG ARG A 466 -9.626 -14.153 3.101 1.00 23.32 C +ATOM 5172 CD ARG A 466 -8.610 -13.787 2.037 1.00 21.86 C +ATOM 5173 NE ARG A 466 -7.494 -13.078 2.655 1.00 29.06 N +ATOM 5174 CZ ARG A 466 -6.511 -13.652 3.362 1.00 37.11 C +ATOM 5175 NH1 ARG A 466 -5.556 -12.896 3.897 1.00 39.43 N1+ +ATOM 5176 NH2 ARG A 466 -6.465 -14.973 3.538 1.00 36.31 N1+ +ATOM 5177 H ARG A 466 -10.472 -17.472 4.334 1.00 0.00 H +ATOM 5178 HA ARG A 466 -11.874 -14.871 4.329 1.00 0.00 H +ATOM 5179 HB2 ARG A 466 -10.120 -15.976 2.113 1.00 0.00 H +ATOM 5180 HB3 ARG A 466 -11.287 -14.686 1.876 1.00 0.00 H +ATOM 5181 HG2 ARG A 466 -10.142 -13.252 3.435 1.00 0.00 H +ATOM 5182 HG3 ARG A 466 -9.109 -14.554 3.973 1.00 0.00 H +ATOM 5183 HD2 ARG A 466 -8.243 -14.695 1.558 1.00 0.00 H +ATOM 5184 HD3 ARG A 466 -9.080 -13.145 1.292 1.00 0.00 H +ATOM 5185 HE ARG A 466 -7.499 -12.078 2.516 1.00 0.00 H +ATOM 5186 HH11 ARG A 466 -5.574 -11.894 3.769 1.00 0.00 H +ATOM 5187 HH12 ARG A 466 -4.813 -13.324 4.431 1.00 0.00 H +ATOM 5188 HH21 ARG A 466 -7.180 -15.561 3.135 1.00 0.00 H +ATOM 5189 HH22 ARG A 466 -5.715 -15.385 4.075 1.00 0.00 H +ATOM 5190 N PRO A 467 -13.629 -16.805 4.124 1.00 15.58 N +ATOM 5191 CA PRO A 467 -14.752 -17.640 3.758 1.00 17.44 C +ATOM 5192 C PRO A 467 -15.689 -17.003 2.755 1.00 19.46 C +ATOM 5193 O PRO A 467 -15.768 -15.760 2.656 1.00 17.96 O +ATOM 5194 CB PRO A 467 -15.484 -17.849 5.094 1.00 16.47 C +ATOM 5195 CG PRO A 467 -14.494 -17.485 6.148 1.00 18.50 C +ATOM 5196 CD PRO A 467 -13.692 -16.420 5.545 1.00 16.57 C +ATOM 5197 HA PRO A 467 -14.395 -18.597 3.377 1.00 0.00 H +ATOM 5198 HB2 PRO A 467 -16.336 -17.172 5.149 1.00 0.00 H +ATOM 5199 HB3 PRO A 467 -15.753 -18.900 5.198 1.00 0.00 H +ATOM 5200 HG2 PRO A 467 -15.021 -17.092 7.018 1.00 0.00 H +ATOM 5201 HG3 PRO A 467 -13.856 -18.344 6.356 1.00 0.00 H +ATOM 5202 HD2 PRO A 467 -14.223 -15.473 5.638 1.00 0.00 H +ATOM 5203 HD3 PRO A 467 -12.688 -16.442 5.969 1.00 0.00 H +ATOM 5204 N HID A 468 -16.391 -17.853 2.015 1.00 18.07 N +ATOM 5205 CA HID A 468 -17.508 -17.403 1.216 1.00 21.62 C +ATOM 5206 C HID A 468 -18.727 -17.380 2.114 1.00 22.80 C +ATOM 5207 O HID A 468 -19.256 -18.437 2.483 1.00 23.57 O +ATOM 5208 CB HID A 468 -17.749 -18.317 0.020 1.00 23.60 C +ATOM 5209 CG HID A 468 -18.823 -17.819 -0.896 1.00 24.08 C +ATOM 5210 CD2 HID A 468 -20.126 -18.175 -1.023 1.00 30.49 C +ATOM 5211 ND1 HID A 468 -18.612 -16.803 -1.803 1.00 27.65 N +ATOM 5212 CE1 HID A 468 -19.734 -16.566 -2.459 1.00 33.49 C +ATOM 5213 NE2 HID A 468 -20.668 -17.384 -2.005 1.00 27.83 N +ATOM 5214 H HID A 468 -16.148 -18.833 2.004 1.00 0.00 H +ATOM 5215 HA HID A 468 -17.308 -16.393 0.859 1.00 0.00 H +ATOM 5216 HB2 HID A 468 -16.821 -18.433 -0.540 1.00 0.00 H +ATOM 5217 HB3 HID A 468 -18.009 -19.315 0.374 1.00 0.00 H +ATOM 5218 HD1 HID A 468 -17.701 -16.372 -1.876 1.00 0.00 H +ATOM 5219 HD2 HID A 468 -20.535 -18.957 -0.400 1.00 0.00 H +ATOM 5220 HE1 HID A 468 -19.762 -15.802 -3.222 1.00 0.00 H +ATOM 5221 N PHE A 469 -19.181 -16.180 2.468 1.00 22.83 N +ATOM 5222 CA PHE A 469 -20.238 -16.033 3.461 1.00 24.07 C +ATOM 5223 C PHE A 469 -21.625 -16.069 2.863 1.00 24.52 C +ATOM 5224 O PHE A 469 -21.819 -15.685 1.717 1.00 19.94 O +ATOM 5225 CB PHE A 469 -20.071 -14.740 4.227 1.00 25.16 C +ATOM 5226 CG PHE A 469 -18.954 -14.771 5.200 1.00 26.24 C +ATOM 5227 CD1 PHE A 469 -17.826 -14.005 4.993 1.00 19.95 C +ATOM 5228 CD2 PHE A 469 -19.015 -15.601 6.324 1.00 26.56 C +ATOM 5229 CE1 PHE A 469 -16.797 -14.001 5.898 1.00 19.23 C +ATOM 5230 CE2 PHE A 469 -17.970 -15.622 7.231 1.00 28.22 C +ATOM 5231 CZ PHE A 469 -16.861 -14.814 7.017 1.00 27.17 C +ATOM 5232 H PHE A 469 -18.792 -15.349 2.046 1.00 0.00 H +ATOM 5233 HA PHE A 469 -20.154 -16.858 4.168 1.00 0.00 H +ATOM 5234 HB2 PHE A 469 -19.916 -13.921 3.525 1.00 0.00 H +ATOM 5235 HB3 PHE A 469 -20.999 -14.506 4.749 1.00 0.00 H +ATOM 5236 HD1 PHE A 469 -17.743 -13.395 4.106 1.00 0.00 H +ATOM 5237 HD2 PHE A 469 -19.879 -16.228 6.486 1.00 0.00 H +ATOM 5238 HE1 PHE A 469 -15.939 -13.365 5.737 1.00 0.00 H +ATOM 5239 HE2 PHE A 469 -18.020 -16.264 8.098 1.00 0.00 H +ATOM 5240 HZ PHE A 469 -16.047 -14.821 7.727 1.00 0.00 H +ATOM 5241 N PRO A 470 -22.598 -16.531 3.656 1.00 26.48 N +ATOM 5242 CA PRO A 470 -23.969 -16.637 3.178 1.00 26.67 C +ATOM 5243 C PRO A 470 -24.669 -15.288 3.219 1.00 23.65 C +ATOM 5244 O PRO A 470 -24.311 -14.435 4.024 1.00 22.16 O +ATOM 5245 CB PRO A 470 -24.607 -17.587 4.197 1.00 26.55 C +ATOM 5246 CG PRO A 470 -23.897 -17.257 5.485 1.00 28.18 C +ATOM 5247 CD PRO A 470 -22.473 -16.959 5.068 1.00 26.59 C +ATOM 5248 HA PRO A 470 -24.001 -17.063 2.175 1.00 0.00 H +ATOM 5249 HB2 PRO A 470 -25.666 -17.349 4.298 1.00 0.00 H +ATOM 5250 HB3 PRO A 470 -24.386 -18.617 3.917 1.00 0.00 H +ATOM 5251 HG2 PRO A 470 -24.340 -16.362 5.922 1.00 0.00 H +ATOM 5252 HG3 PRO A 470 -23.907 -18.131 6.137 1.00 0.00 H +ATOM 5253 HD2 PRO A 470 -22.089 -16.130 5.663 1.00 0.00 H +ATOM 5254 HD3 PRO A 470 -21.884 -17.875 5.116 1.00 0.00 H +ATOM 5255 N GLN A 471 -25.684 -15.139 2.376 1.00 24.08 N +ATOM 5256 CA GLN A 471 -26.580 -13.971 2.383 1.00 23.38 C +ATOM 5257 C GLN A 471 -25.902 -12.660 1.987 1.00 18.37 C +ATOM 5258 O GLN A 471 -26.396 -11.576 2.314 1.00 20.71 O +ATOM 5259 CB GLN A 471 -27.314 -13.830 3.737 1.00 24.97 C +ATOM 5260 CG GLN A 471 -28.689 -14.499 3.770 1.00 39.93 C +ATOM 5261 CD GLN A 471 -28.615 -16.017 3.791 1.00 49.34 C +ATOM 5262 NE2 GLN A 471 -28.259 -16.574 4.947 1.00 57.97 N +ATOM 5263 OE1 GLN A 471 -28.872 -16.683 2.781 1.00 56.49 O +ATOM 5264 H GLN A 471 -25.874 -15.849 1.683 1.00 0.00 H +ATOM 5265 HA GLN A 471 -27.347 -14.163 1.633 1.00 0.00 H +ATOM 5266 HB2 GLN A 471 -26.692 -14.244 4.530 1.00 0.00 H +ATOM 5267 HB3 GLN A 471 -27.420 -12.773 3.982 1.00 0.00 H +ATOM 5268 HG2 GLN A 471 -29.240 -14.151 4.644 1.00 0.00 H +ATOM 5269 HG3 GLN A 471 -29.269 -14.177 2.905 1.00 0.00 H +ATOM 5270 HE21 GLN A 471 -28.056 -15.992 5.747 1.00 0.00 H +ATOM 5271 HE22 GLN A 471 -28.192 -17.579 5.024 1.00 0.00 H +ATOM 5272 N PHE A 472 -24.814 -12.761 1.232 1.00 19.76 N +ATOM 5273 CA PHE A 472 -24.170 -11.595 0.630 1.00 18.47 C +ATOM 5274 C PHE A 472 -24.377 -11.513 -0.880 1.00 20.35 C +ATOM 5275 O PHE A 472 -23.437 -11.335 -1.662 1.00 22.77 O +ATOM 5276 CB PHE A 472 -22.689 -11.529 1.021 1.00 19.07 C +ATOM 5277 CG PHE A 472 -22.487 -10.932 2.371 1.00 14.80 C +ATOM 5278 CD1 PHE A 472 -22.560 -11.721 3.504 1.00 16.90 C +ATOM 5279 CD2 PHE A 472 -22.303 -9.567 2.514 1.00 16.82 C +ATOM 5280 CE1 PHE A 472 -22.418 -11.169 4.756 1.00 18.90 C +ATOM 5281 CE2 PHE A 472 -22.167 -9.011 3.759 1.00 16.58 C +ATOM 5282 CZ PHE A 472 -22.233 -9.814 4.890 1.00 20.58 C +ATOM 5283 H PHE A 472 -24.403 -13.667 1.057 1.00 0.00 H +ATOM 5284 HA PHE A 472 -24.648 -10.715 1.061 1.00 0.00 H +ATOM 5285 HB2 PHE A 472 -22.264 -12.532 1.001 1.00 0.00 H +ATOM 5286 HB3 PHE A 472 -22.144 -10.943 0.280 1.00 0.00 H +ATOM 5287 HD1 PHE A 472 -22.730 -12.784 3.412 1.00 0.00 H +ATOM 5288 HD2 PHE A 472 -22.266 -8.933 1.641 1.00 0.00 H +ATOM 5289 HE1 PHE A 472 -22.452 -11.800 5.632 1.00 0.00 H +ATOM 5290 HE2 PHE A 472 -22.008 -7.948 3.861 1.00 0.00 H +ATOM 5291 HZ PHE A 472 -22.139 -9.376 5.873 1.00 0.00 H +ATOM 5292 N ASP A 473 -25.635 -11.624 -1.274 1.00 18.54 N +ATOM 5293 CA ASP A 473 -26.043 -11.448 -2.670 1.00 18.30 C +ATOM 5294 C ASP A 473 -27.353 -10.663 -2.671 1.00 20.37 C +ATOM 5295 O ASP A 473 -28.340 -11.044 -3.314 1.00 20.93 O +ATOM 5296 CB ASP A 473 -26.195 -12.809 -3.344 1.00 20.16 C +ATOM 5297 CG ASP A 473 -26.472 -12.704 -4.823 1.00 24.86 C +ATOM 5298 OD1 ASP A 473 -27.154 -13.613 -5.356 1.00 26.89 O +ATOM 5299 OD2 ASP A 473 -26.016 -11.723 -5.457 1.00 27.65 O1- +ATOM 5300 H ASP A 473 -26.358 -11.838 -0.602 1.00 0.00 H +ATOM 5301 HA ASP A 473 -25.281 -10.872 -3.195 1.00 0.00 H +ATOM 5302 HB2 ASP A 473 -25.289 -13.395 -3.186 1.00 0.00 H +ATOM 5303 HB3 ASP A 473 -27.001 -13.363 -2.863 1.00 0.00 H +ATOM 5304 N TYR A 474 -27.339 -9.548 -1.939 1.00 18.39 N +ATOM 5305 CA TYR A 474 -28.543 -8.802 -1.631 1.00 13.87 C +ATOM 5306 C TYR A 474 -28.610 -7.466 -2.377 1.00 14.29 C +ATOM 5307 O TYR A 474 -27.666 -6.697 -2.370 1.00 13.43 O +ATOM 5308 CB TYR A 474 -28.659 -8.569 -0.115 1.00 14.78 C +ATOM 5309 CG TYR A 474 -29.864 -7.740 0.293 1.00 12.17 C +ATOM 5310 CD1 TYR A 474 -31.119 -8.341 0.479 1.00 11.21 C +ATOM 5311 CD2 TYR A 474 -29.784 -6.359 0.452 1.00 14.78 C +ATOM 5312 CE1 TYR A 474 -32.236 -7.597 0.809 1.00 15.11 C +ATOM 5313 CE2 TYR A 474 -30.900 -5.609 0.801 1.00 14.35 C +ATOM 5314 CZ TYR A 474 -32.126 -6.238 0.978 1.00 12.90 C +ATOM 5315 OH TYR A 474 -33.244 -5.520 1.315 1.00 16.43 O +ATOM 5316 H TYR A 474 -26.466 -9.193 -1.576 1.00 0.00 H +ATOM 5317 HA TYR A 474 -29.397 -9.402 -1.943 1.00 0.00 H +ATOM 5318 HB2 TYR A 474 -28.692 -9.531 0.397 1.00 0.00 H +ATOM 5319 HB3 TYR A 474 -27.750 -8.088 0.247 1.00 0.00 H +ATOM 5320 HD1 TYR A 474 -31.228 -9.409 0.365 1.00 0.00 H +ATOM 5321 HD2 TYR A 474 -28.842 -5.852 0.304 1.00 0.00 H +ATOM 5322 HE1 TYR A 474 -33.192 -8.084 0.933 1.00 0.00 H +ATOM 5323 HE2 TYR A 474 -30.813 -4.541 0.934 1.00 0.00 H +ATOM 5324 HH TYR A 474 -33.015 -4.591 1.398 1.00 0.00 H +ATOM 5325 N SER A 475 -29.747 -7.241 -3.031 1.00 13.74 N +ATOM 5326 CA SER A 475 -30.105 -5.955 -3.621 0.50 14.73 C +ATOM 5327 C SER A 475 -31.557 -5.676 -3.260 1.00 15.82 C +ATOM 5328 O SER A 475 -32.445 -6.474 -3.571 1.00 14.15 O +ATOM 5329 CB SER A 475 -29.927 -5.981 -5.135 0.50 15.26 C +ATOM 5330 OG SER A 475 -30.369 -4.762 -5.688 0.50 15.58 O +ATOM 5331 H SER A 475 -30.422 -7.985 -3.142 1.00 0.00 H +ATOM 5332 HA SER A 475 -29.472 -5.175 -3.197 0.50 0.00 H +ATOM 5333 HB2 SER A 475 -28.874 -6.127 -5.374 0.50 0.00 H +ATOM 5334 HB3 SER A 475 -30.508 -6.802 -5.555 0.50 0.00 H +ATOM 5335 HG SER A 475 -30.255 -4.783 -6.641 0.50 0.00 H +ATOM 5336 N ALA A 476 -31.822 -4.560 -2.575 1.00 14.25 N +ATOM 5337 CA ALA A 476 -33.178 -4.307 -2.066 1.00 16.82 C +ATOM 5338 C ALA A 476 -34.191 -4.215 -3.204 1.00 19.25 C +ATOM 5339 O ALA A 476 -33.928 -3.565 -4.212 1.00 20.06 O +ATOM 5340 CB ALA A 476 -33.208 -3.031 -1.252 1.00 18.19 C +ATOM 5341 H ALA A 476 -31.089 -3.886 -2.405 1.00 0.00 H +ATOM 5342 HA ALA A 476 -33.463 -5.136 -1.418 1.00 0.00 H +ATOM 5343 HB1 ALA A 476 -34.219 -2.859 -0.883 1.00 0.00 H +ATOM 5344 HB2 ALA A 476 -32.524 -3.122 -0.408 1.00 0.00 H +ATOM 5345 HB3 ALA A 476 -32.903 -2.193 -1.878 1.00 0.00 H +ATOM 5346 N SER A 477 -35.355 -4.849 -3.032 1.00 19.30 N +ATOM 5347 CA SER A 477 -36.390 -4.824 -4.068 1.00 24.49 C +ATOM 5348 C SER A 477 -37.014 -3.442 -4.243 1.00 29.23 C +ATOM 5349 O SER A 477 -37.196 -2.727 -3.267 1.00 33.64 O +ATOM 5350 CB SER A 477 -37.490 -5.829 -3.752 1.00 24.10 C +ATOM 5351 OG SER A 477 -37.058 -7.138 -4.084 1.00 30.74 O +ATOM 5352 H SER A 477 -35.532 -5.356 -2.177 1.00 0.00 H +ATOM 5353 HA SER A 477 -35.930 -5.111 -5.014 1.00 0.00 H +ATOM 5354 HB2 SER A 477 -37.729 -5.784 -2.689 1.00 0.00 H +ATOM 5355 HB3 SER A 477 -38.382 -5.584 -4.328 1.00 0.00 H +ATOM 5356 HG SER A 477 -37.755 -7.766 -3.883 1.00 0.00 H +ATOM 5357 HXT SER A 477 -37.295 -3.095 -5.226 1.00 0.00 H +TER +HETATM 5358 C01 900 -20.970 3.224 6.982 1.00 0.00 C +HETATM 5359 C02 900 -22.220 2.558 6.927 1.00 0.00 C +HETATM 5360 C03 900 -23.133 3.311 7.634 1.00 0.00 C +HETATM 5361 N04 900 -24.439 3.068 7.871 1.00 0.00 N +HETATM 5362 N05 900 -22.485 4.444 8.114 1.00 0.00 N +HETATM 5363 C06 900 -21.156 4.363 7.727 1.00 0.00 C +HETATM 5364 C07 900 -23.011 5.517 8.853 1.00 0.00 C +HETATM 5365 O08 900 -24.198 5.566 9.158 1.00 0.00 O +HETATM 5366 C09 900 -22.025 6.563 9.225 1.00 0.00 C +HETATM 5367 C10 900 -20.738 6.434 8.853 1.00 0.00 C +HETATM 5368 N11 900 -20.310 5.348 8.105 1.00 0.00 N +HETATM 5369 C12 900 -19.702 7.470 9.237 1.00 0.00 C +HETATM 5370 C13 900 -18.689 6.935 10.261 1.00 0.00 C +HETATM 5371 C14 900 -19.305 6.705 11.647 1.00 0.00 C +HETATM 5372 O15 900 -19.622 7.986 12.198 1.00 0.00 O +HETATM 5373 C16 900 -18.354 5.981 12.607 1.00 0.00 C +HETATM 5374 C17 900 -17.991 4.541 12.213 1.00 0.00 C +HETATM 5375 C18 900 -19.204 3.625 11.992 1.00 0.00 C +HETATM 5376 O19 900 -20.025 3.638 13.158 1.00 0.00 O +HETATM 5377 C20 900 -18.811 2.200 11.659 1.00 0.00 C +HETATM 5378 C21 900 -19.126 1.660 10.401 1.00 0.00 C +HETATM 5379 C22 900 -18.773 0.347 10.086 1.00 0.00 C +HETATM 5380 C23 900 -18.107 -0.429 11.026 1.00 0.00 C +HETATM 5381 C25 900 -17.788 0.082 12.277 1.00 0.00 C +HETATM 5382 C26 900 -18.141 1.394 12.596 1.00 0.00 C +HETATM 5383 F24 900 -17.768 -1.689 10.721 1.00 0.00 F +HETATM 5384 H27 900 -20.043 2.897 6.532 1.00 0.00 H +HETATM 5385 H28 900 -22.430 1.621 6.429 1.00 0.00 H +HETATM 5386 H29 900 -24.958 2.356 7.367 1.00 0.00 H +HETATM 5387 H30 900 -25.025 3.786 8.309 1.00 0.00 H +HETATM 5388 H31 900 -22.398 7.396 9.807 1.00 0.00 H +HETATM 5389 H32 900 -20.182 8.378 9.624 1.00 0.00 H +HETATM 5390 H33 900 -19.165 7.776 8.331 1.00 0.00 H +HETATM 5391 H34 900 -17.880 7.672 10.346 1.00 0.00 H +HETATM 5392 H35 900 -18.243 6.013 9.874 1.00 0.00 H +HETATM 5393 H36 900 -20.248 6.156 11.574 1.00 0.00 H +HETATM 5394 H37 900 -20.013 7.833 13.077 1.00 0.00 H +HETATM 5395 H38 900 -18.799 5.976 13.611 1.00 0.00 H +HETATM 5396 H39 900 -17.430 6.565 12.713 1.00 0.00 H +HETATM 5397 H40 900 -17.368 4.141 13.024 1.00 0.00 H +HETATM 5398 H41 900 -17.358 4.543 11.318 1.00 0.00 H +HETATM 5399 H42 900 -19.816 4.017 11.174 1.00 0.00 H +HETATM 5400 H43 900 -20.555 2.821 13.145 1.00 0.00 H +HETATM 5401 H44 900 -19.654 2.256 9.659 1.00 0.00 H +HETATM 5402 H45 900 -19.018 -0.076 9.116 1.00 0.00 H +HETATM 5403 H46 900 -17.271 -0.544 12.998 1.00 0.00 H +HETATM 5404 H47 900 -17.897 1.787 13.581 1.00 0.00 H +HETATM 5405 H48 900 -19.341 5.362 7.793 1.00 0.00 H +CONECT 1 2 11 12 +CONECT 2 1 3 5 7 +CONECT 3 2 4 13 +CONECT 4 3 +CONECT 5 2 6 8 9 +CONECT 6 5 10 +CONECT 7 2 +CONECT 8 5 +CONECT 9 5 +CONECT 10 6 +CONECT 11 1 +CONECT 12 1 +CONECT 13 3 14 24 +CONECT 14 13 15 17 25 +CONECT 15 14 16 37 +CONECT 16 15 +CONECT 17 14 18 26 27 +CONECT 18 17 19 28 29 +CONECT 19 18 20 30 31 +CONECT 20 19 21 32 +CONECT 21 20 22 23 +CONECT 22 21 33 34 +CONECT 23 21 35 36 +CONECT 24 13 +CONECT 25 14 +CONECT 26 17 +CONECT 27 17 +CONECT 28 18 +CONECT 29 18 +CONECT 30 19 +CONECT 31 19 +CONECT 32 20 +CONECT 33 22 +CONECT 34 22 +CONECT 35 23 +CONECT 36 23 +CONECT 37 15 38 44 +CONECT 38 37 39 41 45 +CONECT 39 38 40 53 +CONECT 40 39 +CONECT 41 38 42 43 46 +CONECT 42 41 47 48 49 +CONECT 43 41 50 51 52 +CONECT 44 37 +CONECT 45 38 +CONECT 46 41 +CONECT 47 42 +CONECT 48 42 +CONECT 49 42 +CONECT 50 43 +CONECT 51 43 +CONECT 52 43 +CONECT 53 39 54 60 +CONECT 54 53 55 57 61 +CONECT 55 54 56 67 +CONECT 56 55 +CONECT 57 54 58 59 62 +CONECT 58 57 64 65 66 +CONECT 59 57 63 +CONECT 60 53 +CONECT 61 54 +CONECT 62 57 +CONECT 63 59 +CONECT 64 58 +CONECT 65 58 +CONECT 66 58 +CONECT 67 55 68 75 +CONECT 68 67 69 71 76 +CONECT 69 68 70 84 +CONECT 70 69 +CONECT 71 68 72 77 78 +CONECT 72 71 73 79 80 +CONECT 73 72 74 +CONECT 74 73 81 82 83 +CONECT 75 67 +CONECT 76 68 +CONECT 77 71 +CONECT 78 71 +CONECT 79 72 +CONECT 80 72 +CONECT 81 74 +CONECT 82 74 +CONECT 83 74 +CONECT 84 69 85 92 +CONECT 85 84 86 88 93 +CONECT 86 85 87 98 +CONECT 87 86 +CONECT 88 85 89 94 95 +CONECT 89 88 90 91 +CONECT 90 89 96 97 +CONECT 91 89 +CONECT 92 84 +CONECT 93 85 +CONECT 94 88 +CONECT 95 88 +CONECT 96 90 +CONECT 97 90 +CONECT 98 86 99 107 +CONECT 99 98 100 102 108 +CONECT 100 99 101 113 +CONECT 101 100 +CONECT 102 99 103 109 110 +CONECT 103 102 104 111 112 +CONECT 104 103 105 106 +CONECT 105 104 +CONECT 106 104 +CONECT 107 98 +CONECT 108 99 +CONECT 109 102 +CONECT 110 102 +CONECT 111 103 +CONECT 112 103 +CONECT 113 100 114 124 +CONECT 114 113 115 117 125 +CONECT 115 114 116 133 +CONECT 116 115 +CONECT 117 114 118 126 127 +CONECT 118 117 119 120 +CONECT 119 118 121 128 +CONECT 120 118 122 129 +CONECT 121 119 123 130 +CONECT 122 120 123 131 +CONECT 123 121 122 132 +CONECT 124 113 +CONECT 125 114 +CONECT 126 117 +CONECT 127 117 +CONECT 128 119 +CONECT 129 120 +CONECT 130 121 +CONECT 131 122 +CONECT 132 123 +CONECT 133 115 134 142 +CONECT 134 133 135 137 143 +CONECT 135 134 136 148 +CONECT 136 135 +CONECT 137 134 138 144 145 +CONECT 138 137 139 146 147 +CONECT 139 138 140 141 +CONECT 140 139 +CONECT 141 139 +CONECT 142 133 +CONECT 143 134 +CONECT 144 137 +CONECT 145 137 +CONECT 146 138 +CONECT 147 138 +CONECT 148 135 149 160 +CONECT 149 148 150 152 161 +CONECT 150 149 151 169 +CONECT 151 150 +CONECT 152 149 153 162 163 +CONECT 153 152 154 155 +CONECT 154 153 156 164 +CONECT 155 153 157 165 +CONECT 156 154 158 166 +CONECT 157 155 158 167 +CONECT 158 156 157 159 +CONECT 159 158 168 +CONECT 160 148 +CONECT 161 149 +CONECT 162 152 +CONECT 163 152 +CONECT 164 154 +CONECT 165 155 +CONECT 166 156 +CONECT 167 157 +CONECT 168 159 +CONECT 169 150 170 177 +CONECT 170 169 171 173 178 +CONECT 171 170 172 188 +CONECT 172 171 +CONECT 173 170 174 179 180 +CONECT 174 173 175 176 181 +CONECT 175 174 182 183 184 +CONECT 176 174 185 186 187 +CONECT 177 169 +CONECT 178 170 +CONECT 179 173 +CONECT 180 173 +CONECT 181 174 +CONECT 182 175 +CONECT 183 175 +CONECT 184 175 +CONECT 185 176 +CONECT 186 176 +CONECT 187 176 +CONECT 188 171 189 197 +CONECT 189 188 190 192 198 +CONECT 190 189 191 210 +CONECT 191 190 +CONECT 192 189 193 199 200 +CONECT 193 192 194 201 202 +CONECT 194 193 195 203 204 +CONECT 195 194 196 205 206 +CONECT 196 195 207 208 209 +CONECT 197 188 +CONECT 198 189 +CONECT 199 192 +CONECT 200 192 +CONECT 201 193 +CONECT 202 193 +CONECT 203 194 +CONECT 204 194 +CONECT 205 195 +CONECT 206 195 +CONECT 207 196 +CONECT 208 196 +CONECT 209 196 +CONECT 210 190 211 218 +CONECT 211 210 212 214 219 +CONECT 212 211 213 229 +CONECT 213 212 +CONECT 214 211 215 220 221 +CONECT 215 214 216 217 222 +CONECT 216 215 223 224 225 +CONECT 217 215 226 227 228 +CONECT 218 210 +CONECT 219 211 +CONECT 220 214 +CONECT 221 214 +CONECT 222 215 +CONECT 223 216 +CONECT 224 216 +CONECT 225 216 +CONECT 226 217 +CONECT 227 217 +CONECT 228 217 +CONECT 229 212 230 237 +CONECT 230 229 231 233 238 +CONECT 231 230 232 248 +CONECT 232 231 +CONECT 233 230 234 239 240 +CONECT 234 233 235 236 241 +CONECT 235 234 242 243 244 +CONECT 236 234 245 246 247 +CONECT 237 229 +CONECT 238 230 +CONECT 239 233 +CONECT 240 233 +CONECT 241 234 +CONECT 242 235 +CONECT 243 235 +CONECT 244 235 +CONECT 245 236 +CONECT 246 236 +CONECT 247 236 +CONECT 248 231 249 252 +CONECT 249 248 250 253 254 +CONECT 250 249 251 255 +CONECT 251 250 +CONECT 252 248 +CONECT 253 249 +CONECT 254 249 +CONECT 255 250 256 264 +CONECT 256 255 257 259 265 +CONECT 257 256 258 277 +CONECT 258 257 +CONECT 259 256 260 266 267 +CONECT 260 259 261 268 269 +CONECT 261 260 262 270 271 +CONECT 262 261 263 272 273 +CONECT 263 262 274 275 276 +CONECT 264 255 +CONECT 265 256 +CONECT 266 259 +CONECT 267 259 +CONECT 268 260 +CONECT 269 260 +CONECT 270 261 +CONECT 271 261 +CONECT 272 262 +CONECT 273 262 +CONECT 274 263 +CONECT 275 263 +CONECT 276 263 +CONECT 277 257 278 281 +CONECT 278 277 279 282 283 +CONECT 279 278 280 284 +CONECT 280 279 +CONECT 281 277 +CONECT 282 278 +CONECT 283 278 +CONECT 284 279 285 291 +CONECT 285 284 286 288 292 +CONECT 286 285 287 298 +CONECT 287 286 +CONECT 288 285 289 290 293 +CONECT 289 288 295 296 297 +CONECT 290 288 294 +CONECT 291 284 +CONECT 292 285 +CONECT 293 288 +CONECT 294 290 +CONECT 295 289 +CONECT 296 289 +CONECT 297 289 +CONECT 298 286 299 309 +CONECT 299 298 300 302 310 +CONECT 300 299 301 318 +CONECT 301 300 +CONECT 302 299 303 311 312 +CONECT 303 302 304 305 +CONECT 304 303 306 313 +CONECT 305 303 307 314 +CONECT 306 304 308 315 +CONECT 307 305 308 316 +CONECT 308 306 307 317 +CONECT 309 298 +CONECT 310 299 +CONECT 311 302 +CONECT 312 302 +CONECT 313 304 +CONECT 314 305 +CONECT 315 306 +CONECT 316 307 +CONECT 317 308 +CONECT 318 300 319 322 +CONECT 319 318 320 323 324 +CONECT 320 319 321 325 +CONECT 321 320 +CONECT 322 318 +CONECT 323 319 +CONECT 324 319 +CONECT 325 320 326 334 +CONECT 326 325 327 329 335 +CONECT 327 326 328 347 +CONECT 328 327 +CONECT 329 326 330 336 337 +CONECT 330 329 331 338 339 +CONECT 331 330 332 340 341 +CONECT 332 331 333 342 343 +CONECT 333 332 344 345 346 +CONECT 334 325 +CONECT 335 326 +CONECT 336 329 +CONECT 337 329 +CONECT 338 330 +CONECT 339 330 +CONECT 340 331 +CONECT 341 331 +CONECT 342 332 +CONECT 343 332 +CONECT 344 333 +CONECT 345 333 +CONECT 346 333 +CONECT 347 327 348 354 +CONECT 348 347 349 351 355 +CONECT 349 348 350 363 +CONECT 350 349 +CONECT 351 348 352 353 356 +CONECT 352 351 357 358 359 +CONECT 353 351 360 361 362 +CONECT 354 347 +CONECT 355 348 +CONECT 356 351 +CONECT 357 352 +CONECT 358 352 +CONECT 359 352 +CONECT 360 353 +CONECT 361 353 +CONECT 362 353 +CONECT 363 349 364 371 +CONECT 364 363 365 367 372 +CONECT 365 364 366 382 +CONECT 366 365 +CONECT 367 364 368 369 373 +CONECT 368 367 370 374 375 +CONECT 369 367 376 377 378 +CONECT 370 368 379 380 381 +CONECT 371 363 +CONECT 372 364 +CONECT 373 367 +CONECT 374 368 +CONECT 375 368 +CONECT 376 369 +CONECT 377 369 +CONECT 378 369 +CONECT 379 370 +CONECT 380 370 +CONECT 381 370 +CONECT 382 365 383 390 +CONECT 383 382 384 386 391 +CONECT 384 383 385 401 +CONECT 385 384 +CONECT 386 383 387 392 393 +CONECT 387 386 388 389 394 +CONECT 388 387 395 396 397 +CONECT 389 387 398 399 400 +CONECT 390 382 +CONECT 391 383 +CONECT 392 386 +CONECT 393 386 +CONECT 394 387 +CONECT 395 388 +CONECT 396 388 +CONECT 397 388 +CONECT 398 389 +CONECT 399 389 +CONECT 400 389 +CONECT 401 384 402 408 +CONECT 402 401 403 405 409 +CONECT 403 402 404 417 +CONECT 404 403 +CONECT 405 402 406 407 410 +CONECT 406 405 411 412 413 +CONECT 407 405 414 415 416 +CONECT 408 401 +CONECT 409 402 +CONECT 410 405 +CONECT 411 406 +CONECT 412 406 +CONECT 413 406 +CONECT 414 407 +CONECT 415 407 +CONECT 416 407 +CONECT 417 403 418 426 +CONECT 418 417 419 421 427 +CONECT 419 418 420 439 +CONECT 420 419 +CONECT 421 418 422 428 429 +CONECT 422 421 423 430 431 +CONECT 423 422 424 432 433 +CONECT 424 423 425 434 435 +CONECT 425 424 436 437 438 +CONECT 426 417 +CONECT 427 418 +CONECT 428 421 +CONECT 429 421 +CONECT 430 422 +CONECT 431 422 +CONECT 432 423 +CONECT 433 423 +CONECT 434 424 +CONECT 435 424 +CONECT 436 425 +CONECT 437 425 +CONECT 438 425 +CONECT 439 419 440 448 +CONECT 440 439 441 443 449 +CONECT 441 440 442 454 +CONECT 442 441 +CONECT 443 440 444 450 451 +CONECT 444 443 445 452 453 +CONECT 445 444 446 447 +CONECT 446 445 +CONECT 447 445 +CONECT 448 439 +CONECT 449 440 +CONECT 450 443 +CONECT 451 443 +CONECT 452 444 +CONECT 453 444 +CONECT 454 441 455 463 +CONECT 455 454 456 458 464 +CONECT 456 455 457 476 +CONECT 457 456 +CONECT 458 455 459 465 466 +CONECT 459 458 460 467 468 +CONECT 460 459 461 469 470 +CONECT 461 460 462 471 472 +CONECT 462 461 473 474 475 +CONECT 463 454 +CONECT 464 455 +CONECT 465 458 +CONECT 466 458 +CONECT 467 459 +CONECT 468 459 +CONECT 469 460 +CONECT 470 460 +CONECT 471 461 +CONECT 472 461 +CONECT 473 462 +CONECT 474 462 +CONECT 475 462 +CONECT 476 456 477 481 +CONECT 477 476 478 480 482 +CONECT 478 477 479 486 +CONECT 479 478 +CONECT 480 477 483 484 485 +CONECT 481 476 +CONECT 482 477 +CONECT 483 480 +CONECT 484 480 +CONECT 485 480 +CONECT 486 478 487 493 +CONECT 487 486 488 490 494 +CONECT 488 487 489 500 +CONECT 489 488 +CONECT 490 487 491 492 495 +CONECT 491 490 497 498 499 +CONECT 492 490 496 +CONECT 493 486 +CONECT 494 487 +CONECT 495 490 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2247 2246 2248 2260 +CONECT 2248 2247 +CONECT 2249 2246 2250 2256 2257 +CONECT 2250 2249 2251 2258 2259 +CONECT 2251 2250 2252 2253 +CONECT 2252 2251 +CONECT 2253 2251 +CONECT 2254 2245 +CONECT 2255 2246 +CONECT 2256 2249 +CONECT 2257 2249 +CONECT 2258 2250 +CONECT 2259 2250 +CONECT 2260 2247 2261 2268 +CONECT 2261 2260 2262 2264 2269 +CONECT 2262 2261 2263 2274 +CONECT 2263 2262 +CONECT 2264 2261 2265 2270 2271 +CONECT 2265 2264 2266 2267 +CONECT 2266 2265 2272 2273 +CONECT 2267 2265 +CONECT 2268 2260 +CONECT 2269 2261 +CONECT 2270 2264 +CONECT 2271 2264 +CONECT 2272 2266 +CONECT 2273 2266 +CONECT 2274 2262 2275 2282 +CONECT 2275 2274 2276 2278 2283 +CONECT 2276 2275 2277 2293 +CONECT 2277 2276 +CONECT 2278 2275 2279 2284 2285 +CONECT 2279 2278 2280 2281 2286 +CONECT 2280 2279 2287 2288 2289 +CONECT 2281 2279 2290 2291 2292 +CONECT 2282 2274 +CONECT 2283 2275 +CONECT 2284 2278 +CONECT 2285 2278 +CONECT 2286 2279 +CONECT 2287 2280 +CONECT 2288 2280 +CONECT 2289 2280 +CONECT 2290 2281 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2637 2631 +CONECT 2638 2631 +CONECT 2639 2629 2640 2643 +CONECT 2640 2639 2641 2644 2645 +CONECT 2641 2640 2642 2646 +CONECT 2642 2641 +CONECT 2643 2639 +CONECT 2644 2640 +CONECT 2645 2640 +CONECT 2646 2641 2647 2651 +CONECT 2647 2646 2648 2650 2652 +CONECT 2648 2647 2649 2656 +CONECT 2649 2648 +CONECT 2650 2647 2653 2654 2655 +CONECT 2651 2646 +CONECT 2652 2647 +CONECT 2653 2650 +CONECT 2654 2650 +CONECT 2655 2650 +CONECT 2656 2648 2657 2663 +CONECT 2657 2656 2658 2660 2664 +CONECT 2658 2657 2659 2670 +CONECT 2659 2658 +CONECT 2660 2657 2661 2662 2665 +CONECT 2661 2660 2667 2668 2669 +CONECT 2662 2660 2666 +CONECT 2663 2656 +CONECT 2664 2657 +CONECT 2665 2660 +CONECT 2666 2662 +CONECT 2667 2661 +CONECT 2668 2661 +CONECT 2669 2661 +CONECT 2670 2658 2671 2678 +CONECT 2671 2670 2672 2674 2679 +CONECT 2672 2671 2673 2687 +CONECT 2673 2672 +CONECT 2674 2671 2675 2680 2681 +CONECT 2675 2674 2676 2682 2683 +CONECT 2676 2675 2677 +CONECT 2677 2676 2684 2685 2686 +CONECT 2678 2670 +CONECT 2679 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2724 2714 +CONECT 2725 2714 +CONECT 2726 2711 2727 2737 +CONECT 2727 2726 2728 2730 2738 +CONECT 2728 2727 2729 2746 +CONECT 2729 2728 +CONECT 2730 2727 2731 2739 2740 +CONECT 2731 2730 2732 2733 +CONECT 2732 2731 2734 2741 +CONECT 2733 2731 2735 2742 +CONECT 2734 2732 2736 2743 +CONECT 2735 2733 2736 2744 +CONECT 2736 2734 2735 2745 +CONECT 2737 2726 +CONECT 2738 2727 +CONECT 2739 2730 +CONECT 2740 2730 +CONECT 2741 2732 +CONECT 2742 2733 +CONECT 2743 2734 +CONECT 2744 2735 +CONECT 2745 2736 +CONECT 2746 2728 2747 2752 +CONECT 2747 2746 2748 2750 2753 +CONECT 2748 2747 2749 2757 +CONECT 2749 2748 +CONECT 2750 2747 2751 2754 2755 +CONECT 2751 2750 2756 +CONECT 2752 2746 +CONECT 2753 2747 +CONECT 2754 2750 +CONECT 2755 2750 +CONECT 2756 2751 +CONECT 2757 2748 2758 2761 +CONECT 2758 2757 2759 2762 2763 +CONECT 2759 2758 2760 2764 +CONECT 2760 2759 +CONECT 2761 2757 +CONECT 2762 2758 +CONECT 2763 2758 +CONECT 2764 2759 2765 2771 +CONECT 2765 2764 2766 2768 2772 +CONECT 2766 2765 2767 2778 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2895 2890 +CONECT 2896 2891 +CONECT 2897 2891 +CONECT 2898 2891 +CONECT 2899 2892 +CONECT 2900 2892 +CONECT 2901 2892 +CONECT 2902 2888 2903 2910 +CONECT 2903 2902 2904 2906 2911 +CONECT 2904 2903 2905 2921 +CONECT 2905 2904 +CONECT 2906 2903 2907 2912 2913 +CONECT 2907 2906 2908 2909 2914 +CONECT 2908 2907 2915 2916 2917 +CONECT 2909 2907 2918 2919 2920 +CONECT 2910 2902 +CONECT 2911 2903 +CONECT 2912 2906 +CONECT 2913 2906 +CONECT 2914 2907 +CONECT 2915 2908 +CONECT 2916 2908 +CONECT 2917 2908 +CONECT 2918 2909 +CONECT 2919 2909 +CONECT 2920 2909 +CONECT 2921 2904 2922 2930 +CONECT 2922 2921 2923 2925 2931 +CONECT 2923 2922 2924 2936 +CONECT 2924 2923 +CONECT 2925 2922 2926 2932 2933 +CONECT 2926 2925 2927 2934 2935 +CONECT 2927 2926 2928 2929 +CONECT 2928 2927 +CONECT 2929 2927 +CONECT 2930 2921 +CONECT 2931 2922 +CONECT 2932 2925 +CONECT 2933 2925 +CONECT 2934 2926 +CONECT 2935 2926 +CONECT 2936 2923 2937 2944 +CONECT 2937 2936 2938 2940 2945 +CONECT 2938 2937 2939 2948 +CONECT 2939 2938 +CONECT 2940 2937 2941 2946 2947 +CONECT 2941 2940 2942 2943 +CONECT 2942 2941 +CONECT 2943 2941 +CONECT 2944 2936 +CONECT 2945 2937 +CONECT 2946 2940 +CONECT 2947 2940 +CONECT 2948 2938 2949 2956 +CONECT 2949 2948 2950 2952 2957 +CONECT 2950 2949 2951 2962 +CONECT 2951 2950 +CONECT 2952 2949 2953 2958 2959 +CONECT 2953 2952 2954 2955 +CONECT 2954 2953 2960 2961 +CONECT 2955 2953 +CONECT 2956 2948 +CONECT 2957 2949 +CONECT 2958 2952 +CONECT 2959 2952 +CONECT 2960 2954 +CONECT 2961 2954 +CONECT 2962 2950 2963 2970 +CONECT 2963 2962 2964 2966 2971 +CONECT 2964 2963 2965 2974 +CONECT 2965 2964 +CONECT 2966 2963 2967 2972 2973 +CONECT 2967 2966 2968 2969 +CONECT 2968 2967 +CONECT 2969 2967 +CONECT 2970 2962 +CONECT 2971 2963 +CONECT 2972 2966 +CONECT 2973 2966 +CONECT 2974 2964 2975 2986 +CONECT 2975 2974 2976 2978 2987 +CONECT 2976 2975 2977 2995 +CONECT 2977 2976 +CONECT 2978 2975 2979 2988 2989 +CONECT 2979 2978 2980 2981 +CONECT 2980 2979 2982 2990 +CONECT 2981 2979 2983 2991 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3027 3031 +CONECT 3027 3026 3028 3030 3032 +CONECT 3028 3027 3029 3036 +CONECT 3029 3028 +CONECT 3030 3027 3033 3034 3035 +CONECT 3031 3026 +CONECT 3032 3027 +CONECT 3033 3030 +CONECT 3034 3030 +CONECT 3035 3030 +CONECT 3036 3028 3037 3043 +CONECT 3037 3036 3038 3040 3044 +CONECT 3038 3037 3039 3052 +CONECT 3039 3038 +CONECT 3040 3037 3041 3042 3045 +CONECT 3041 3040 3046 3047 3048 +CONECT 3042 3040 3049 3050 3051 +CONECT 3043 3036 +CONECT 3044 3037 +CONECT 3045 3040 +CONECT 3046 3041 +CONECT 3047 3041 +CONECT 3048 3041 +CONECT 3049 3042 +CONECT 3050 3042 +CONECT 3051 3042 +CONECT 3052 3038 3053 3060 +CONECT 3053 3052 3054 3056 3061 +CONECT 3054 3053 3055 3064 +CONECT 3055 3054 +CONECT 3056 3053 3057 3062 3063 +CONECT 3057 3056 3058 3059 +CONECT 3058 3057 +CONECT 3059 3057 +CONECT 3060 3052 +CONECT 3061 3053 +CONECT 3062 3056 +CONECT 3063 3056 +CONECT 3064 3054 3065 3078 +CONECT 3065 3064 3066 3068 3079 +CONECT 3066 3065 3067 3088 +CONECT 3067 3066 +CONECT 3068 3065 3069 3080 3081 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3101 +CONECT 3112 3090 3113 3116 +CONECT 3113 3112 3114 3117 3118 +CONECT 3114 3113 3115 3119 +CONECT 3115 3114 +CONECT 3116 3112 +CONECT 3117 3113 +CONECT 3118 3113 +CONECT 3119 3114 3120 3127 +CONECT 3120 3119 3121 3123 3128 +CONECT 3121 3120 3122 3138 +CONECT 3122 3121 +CONECT 3123 3120 3124 3129 3130 +CONECT 3124 3123 3125 3126 3131 +CONECT 3125 3124 3132 3133 3134 +CONECT 3126 3124 3135 3136 3137 +CONECT 3127 3119 +CONECT 3128 3120 +CONECT 3129 3123 +CONECT 3130 3123 +CONECT 3131 3124 +CONECT 3132 3125 +CONECT 3133 3125 +CONECT 3134 3125 +CONECT 3135 3126 +CONECT 3136 3126 +CONECT 3137 3126 +CONECT 3138 3121 3139 3142 +CONECT 3139 3138 3140 3143 3144 +CONECT 3140 3139 3141 3145 +CONECT 3141 3140 +CONECT 3142 3138 +CONECT 3143 3139 +CONECT 3144 3139 +CONECT 3145 3140 3146 3152 +CONECT 3146 3145 3147 3149 3153 +CONECT 3147 3146 3148 3161 +CONECT 3148 3147 +CONECT 3149 3146 3150 3151 3154 +CONECT 3150 3149 3155 3156 3157 +CONECT 3151 3149 3158 3159 3160 +CONECT 3152 3145 +CONECT 3153 3146 +CONECT 3154 3149 +CONECT 3155 3150 +CONECT 3156 3150 +CONECT 3157 3150 +CONECT 3158 3151 +CONECT 3159 3151 +CONECT 3160 3151 +CONECT 3161 3147 3162 3168 +CONECT 3162 3161 3163 3165 3169 +CONECT 3163 3162 3164 3177 +CONECT 3164 3163 +CONECT 3165 3162 3166 3167 3170 +CONECT 3166 3165 3171 3172 3173 +CONECT 3167 3165 3174 3175 3176 +CONECT 3168 3161 +CONECT 3169 3162 +CONECT 3170 3165 +CONECT 3171 3166 +CONECT 3172 3166 +CONECT 3173 3166 +CONECT 3174 3167 +CONECT 3175 3167 +CONECT 3176 3167 +CONECT 3177 3163 3178 3185 +CONECT 3178 3177 3179 3181 3186 +CONECT 3179 3178 3180 3194 +CONECT 3180 3179 +CONECT 3181 3178 3182 3187 3188 +CONECT 3182 3181 3183 3189 3190 +CONECT 3183 3182 3184 +CONECT 3184 3183 3191 3192 3193 +CONECT 3185 3177 +CONECT 3186 3178 +CONECT 3187 3181 +CONECT 3188 3181 +CONECT 3189 3182 +CONECT 3190 3182 +CONECT 3191 3184 +CONECT 3192 3184 +CONECT 3193 3184 +CONECT 3194 3179 3195 3206 +CONECT 3195 3194 3196 3198 3207 +CONECT 3196 3195 3197 3215 +CONECT 3197 3196 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3284 3283 3285 3306 +CONECT 3285 3284 +CONECT 3286 3283 3287 3295 3296 +CONECT 3287 3286 3288 3297 3298 +CONECT 3288 3287 3289 3299 3300 +CONECT 3289 3288 3290 3301 +CONECT 3290 3289 3291 3292 +CONECT 3291 3290 3302 3303 +CONECT 3292 3290 3304 3305 +CONECT 3293 3282 +CONECT 3294 3283 +CONECT 3295 3286 +CONECT 3296 3286 +CONECT 3297 3287 +CONECT 3298 3287 +CONECT 3299 3288 +CONECT 3300 3288 +CONECT 3301 3289 +CONECT 3302 3291 +CONECT 3303 3291 +CONECT 3304 3292 +CONECT 3305 3292 +CONECT 3306 3284 3307 3314 +CONECT 3307 3306 3308 3310 3315 +CONECT 3308 3307 3309 3325 +CONECT 3309 3308 +CONECT 3310 3307 3311 3316 3317 +CONECT 3311 3310 3312 3313 3318 +CONECT 3312 3311 3319 3320 3321 +CONECT 3313 3311 3322 3323 3324 +CONECT 3314 3306 +CONECT 3315 3307 +CONECT 3316 3310 +CONECT 3317 3310 +CONECT 3318 3311 +CONECT 3319 3312 +CONECT 3320 3312 +CONECT 3321 3312 +CONECT 3322 3313 +CONECT 3323 3313 +CONECT 3324 3313 +CONECT 3325 3308 3326 3331 +CONECT 3326 3325 3327 3329 3332 +CONECT 3327 3326 3328 3339 +CONECT 3328 3327 +CONECT 3329 3326 3330 3333 3334 +CONECT 3330 3329 3331 3335 3336 +CONECT 3331 3325 3330 3337 3338 +CONECT 3332 3326 +CONECT 3333 3329 +CONECT 3334 3329 +CONECT 3335 3330 +CONECT 3336 3330 +CONECT 3337 3331 +CONECT 3338 3331 +CONECT 3339 3327 3340 3350 +CONECT 3340 3339 3341 3343 3351 +CONECT 3341 3340 3342 3359 +CONECT 3342 3341 +CONECT 3343 3340 3344 3352 3353 +CONECT 3344 3343 3345 3346 +CONECT 3345 3344 3347 3354 +CONECT 3346 3344 3348 3355 +CONECT 3347 3345 3349 3356 +CONECT 3348 3346 3349 3357 +CONECT 3349 3347 3348 3358 +CONECT 3350 3339 +CONECT 3351 3340 +CONECT 3352 3343 +CONECT 3353 3343 +CONECT 3354 3345 +CONECT 3355 3346 +CONECT 3356 3347 +CONECT 3357 3348 +CONECT 3358 3349 +CONECT 3359 3341 3360 3371 +CONECT 3360 3359 3361 3363 3372 +CONECT 3361 3360 3362 3380 +CONECT 3362 3361 +CONECT 3363 3360 3364 3373 3374 +CONECT 3364 3363 3365 3366 +CONECT 3365 3364 3367 3375 +CONECT 3366 3364 3368 3376 +CONECT 3367 3365 3369 3377 +CONECT 3368 3366 3369 3378 +CONECT 3369 3367 3368 3370 +CONECT 3370 3369 3379 +CONECT 3371 3359 +CONECT 3372 3360 +CONECT 3373 3363 +CONECT 3374 3363 +CONECT 3375 3365 +CONECT 3376 3366 +CONECT 3377 3367 +CONECT 3378 3368 +CONECT 3379 3370 +CONECT 3380 3361 3381 3388 +CONECT 3381 3380 3382 3384 3389 +CONECT 3382 3381 3383 3394 +CONECT 3383 3382 +CONECT 3384 3381 3385 3390 3391 +CONECT 3385 3384 3386 3387 +CONECT 3386 3385 3392 3393 +CONECT 3387 3385 +CONECT 3388 3380 +CONECT 3389 3381 +CONECT 3390 3384 +CONECT 3391 3384 +CONECT 3392 3386 +CONECT 3393 3386 +CONECT 3394 3382 3395 3403 +CONECT 3395 3394 3396 3398 3404 +CONECT 3396 3395 3397 3411 +CONECT 3397 3396 +CONECT 3398 3395 3399 3405 3406 +CONECT 3399 3398 3400 3407 3408 +CONECT 3400 3399 3401 3402 +CONECT 3401 3400 3409 3410 +CONECT 3402 3400 +CONECT 3403 3394 +CONECT 3404 3395 +CONECT 3405 3398 +CONECT 3406 3398 +CONECT 3407 3399 +CONECT 3408 3399 +CONECT 3409 3401 +CONECT 3410 3401 +CONECT 3411 3396 3412 3419 +CONECT 3412 3411 3413 3415 3420 +CONECT 3413 3412 3414 3423 +CONECT 3414 3413 +CONECT 3415 3412 3416 3421 3422 +CONECT 3416 3415 3417 3418 +CONECT 3417 3416 +CONECT 3418 3416 +CONECT 3419 3411 +CONECT 3420 3412 +CONECT 3421 3415 +CONECT 3422 3415 +CONECT 3423 3413 3424 3433 +CONECT 3424 3423 3425 3427 3434 +CONECT 3425 3424 3426 3440 +CONECT 3426 3425 +CONECT 3427 3424 3428 3435 3436 +CONECT 3428 3427 3429 3430 +CONECT 3429 3428 3432 3438 +CONECT 3430 3428 3431 3437 +CONECT 3431 3430 3432 3439 +CONECT 3432 3429 3431 +CONECT 3433 3423 +CONECT 3434 3424 +CONECT 3435 3427 +CONECT 3436 3427 +CONECT 3437 3430 +CONECT 3438 3429 +CONECT 3439 3431 +CONECT 3440 3425 3441 3449 +CONECT 3441 3440 3442 3444 3450 +CONECT 3442 3441 3443 3455 +CONECT 3443 3442 +CONECT 3444 3441 3445 3451 3452 +CONECT 3445 3444 3446 3453 3454 +CONECT 3446 3445 3447 3448 +CONECT 3447 3446 +CONECT 3448 3446 +CONECT 3449 3440 +CONECT 3450 3441 +CONECT 3451 3444 +CONECT 3452 3444 +CONECT 3453 3445 +CONECT 3454 3445 +CONECT 3455 3442 3456 3464 +CONECT 3456 3455 3457 3459 3465 +CONECT 3457 3456 3458 3477 +CONECT 3458 3457 +CONECT 3459 3456 3460 3466 3467 +CONECT 3460 3459 3461 3468 3469 +CONECT 3461 3460 3462 3470 3471 +CONECT 3462 3461 3463 3472 3473 +CONECT 3463 3462 3474 3475 3476 +CONECT 3464 3455 +CONECT 3465 3456 +CONECT 3466 3459 +CONECT 3467 3459 +CONECT 3468 3460 +CONECT 3469 3460 +CONECT 3470 3461 +CONECT 3471 3461 +CONECT 3472 3462 +CONECT 3473 3462 +CONECT 3474 3463 +CONECT 3475 3463 +CONECT 3476 3463 +CONECT 3477 3457 3478 3485 +CONECT 3478 3477 3479 3481 3486 +CONECT 3479 3478 3480 3496 +CONECT 3480 3479 +CONECT 3481 3478 3482 3487 3488 +CONECT 3482 3481 3483 3484 3489 +CONECT 3483 3482 3490 3491 3492 +CONECT 3484 3482 3493 3494 3495 +CONECT 3485 3477 +CONECT 3486 3478 +CONECT 3487 3481 +CONECT 3488 3481 +CONECT 3489 3482 +CONECT 3490 3483 +CONECT 3491 3483 +CONECT 3492 3483 +CONECT 3493 3484 +CONECT 3494 3484 +CONECT 3495 3484 +CONECT 3496 3479 3497 3507 +CONECT 3497 3496 3498 3500 3508 +CONECT 3498 3497 3499 3516 +CONECT 3499 3498 +CONECT 3500 3497 3501 3509 3510 +CONECT 3501 3500 3502 3503 +CONECT 3502 3501 3504 3511 +CONECT 3503 3501 3505 3512 +CONECT 3504 3502 3506 3513 +CONECT 3505 3503 3506 3514 +CONECT 3506 3504 3505 3515 +CONECT 3507 3496 +CONECT 3508 3497 +CONECT 3509 3500 +CONECT 3510 3500 +CONECT 3511 3502 +CONECT 3512 3503 +CONECT 3513 3504 +CONECT 3514 3505 +CONECT 3515 3506 +CONECT 3516 3498 3517 3525 +CONECT 3517 3516 3518 3520 3526 +CONECT 3518 3517 3519 3531 +CONECT 3519 3518 +CONECT 3520 3517 3521 3527 3528 +CONECT 3521 3520 3522 3529 3530 +CONECT 3522 3521 3523 3524 +CONECT 3523 3522 +CONECT 3524 3522 +CONECT 3525 3516 +CONECT 3526 3517 +CONECT 3527 3520 +CONECT 3528 3520 +CONECT 3529 3521 +CONECT 3530 3521 +CONECT 3531 3518 3532 3539 +CONECT 3532 3531 3533 3535 3540 +CONECT 3533 3532 3534 3550 +CONECT 3534 3533 +CONECT 3535 3532 3536 3541 3542 +CONECT 3536 3535 3537 3538 3543 +CONECT 3537 3536 3544 3545 3546 +CONECT 3538 3536 3547 3548 3549 +CONECT 3539 3531 +CONECT 3540 3532 +CONECT 3541 3535 +CONECT 3542 3535 +CONECT 3543 3536 +CONECT 3544 3537 +CONECT 3545 3537 +CONECT 3546 3537 +CONECT 3547 3538 +CONECT 3548 3538 +CONECT 3549 3538 +CONECT 3550 3533 3551 3558 +CONECT 3551 3550 3552 3554 3559 +CONECT 3552 3551 3553 3569 +CONECT 3553 3552 +CONECT 3554 3551 3555 3556 3560 +CONECT 3555 3554 3557 3561 3562 +CONECT 3556 3554 3563 3564 3565 +CONECT 3557 3555 3566 3567 3568 +CONECT 3558 3550 +CONECT 3559 3551 +CONECT 3560 3554 +CONECT 3561 3555 +CONECT 3562 3555 +CONECT 3563 3556 +CONECT 3564 3556 +CONECT 3565 3556 +CONECT 3566 3557 +CONECT 3567 3557 +CONECT 3568 3557 +CONECT 3569 3552 3570 3577 +CONECT 3570 3569 3571 3573 3578 +CONECT 3571 3570 3572 3588 +CONECT 3572 3571 +CONECT 3573 3570 3574 3579 3580 +CONECT 3574 3573 3575 3576 3581 +CONECT 3575 3574 3582 3583 3584 +CONECT 3576 3574 3585 3586 3587 +CONECT 3577 3569 +CONECT 3578 3570 +CONECT 3579 3573 +CONECT 3580 3573 +CONECT 3581 3574 +CONECT 3582 3575 +CONECT 3583 3575 +CONECT 3584 3575 +CONECT 3585 3576 +CONECT 3586 3576 +CONECT 3587 3576 +CONECT 3588 3571 3589 3596 +CONECT 3589 3588 3590 3592 3597 +CONECT 3590 3589 3591 3605 +CONECT 3591 3590 +CONECT 3592 3589 3593 3598 3599 +CONECT 3593 3592 3594 3600 3601 +CONECT 3594 3593 3595 +CONECT 3595 3594 3602 3603 3604 +CONECT 3596 3588 +CONECT 3597 3589 +CONECT 3598 3592 +CONECT 3599 3592 +CONECT 3600 3593 +CONECT 3601 3593 +CONECT 3602 3595 +CONECT 3603 3595 +CONECT 3604 3595 +CONECT 3605 3590 3606 3614 +CONECT 3606 3605 3607 3609 3615 +CONECT 3607 3606 3608 3620 +CONECT 3608 3607 +CONECT 3609 3606 3610 3616 3617 +CONECT 3610 3609 3611 3618 3619 +CONECT 3611 3610 3612 3613 +CONECT 3612 3611 +CONECT 3613 3611 +CONECT 3614 3605 +CONECT 3615 3606 +CONECT 3616 3609 +CONECT 3617 3609 +CONECT 3618 3610 +CONECT 3619 3610 +CONECT 3620 3607 3621 3629 +CONECT 3621 3620 3622 3624 3630 +CONECT 3622 3621 3623 3635 +CONECT 3623 3622 +CONECT 3624 3621 3625 3631 3632 +CONECT 3625 3624 3626 3633 3634 +CONECT 3626 3625 3627 3628 +CONECT 3627 3626 +CONECT 3628 3626 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3672 3660 +CONECT 3673 3661 +CONECT 3674 3663 +CONECT 3675 3663 +CONECT 3676 3664 +CONECT 3677 3664 +CONECT 3678 3656 3679 3689 +CONECT 3679 3678 3680 3682 3690 +CONECT 3680 3679 3681 3698 +CONECT 3681 3680 +CONECT 3682 3679 3683 3691 3692 +CONECT 3683 3682 3684 3685 +CONECT 3684 3683 3686 3693 +CONECT 3685 3683 3687 3694 +CONECT 3686 3684 3688 3695 +CONECT 3687 3685 3688 3696 +CONECT 3688 3686 3687 3697 +CONECT 3689 3678 +CONECT 3690 3679 +CONECT 3691 3682 +CONECT 3692 3682 +CONECT 3693 3684 +CONECT 3694 3685 +CONECT 3695 3686 +CONECT 3696 3687 +CONECT 3697 3688 +CONECT 3698 3680 3699 3704 +CONECT 3699 3698 3700 3702 3705 +CONECT 3700 3699 3701 3712 +CONECT 3701 3700 +CONECT 3702 3699 3703 3706 3707 +CONECT 3703 3702 3704 3708 3709 +CONECT 3704 3698 3703 3710 3711 +CONECT 3705 3699 +CONECT 3706 3702 +CONECT 3707 3702 +CONECT 3708 3703 +CONECT 3709 3703 +CONECT 3710 3704 +CONECT 3711 3704 +CONECT 3712 3700 3713 3723 +CONECT 3713 3712 3714 3716 3724 +CONECT 3714 3713 3715 3736 +CONECT 3715 3714 +CONECT 3716 3713 3717 3725 3726 +CONECT 3717 3716 3718 3727 3728 +CONECT 3718 3717 3719 3729 3730 +CONECT 3719 3718 3720 3731 +CONECT 3720 3719 3721 3722 +CONECT 3721 3720 3732 3733 +CONECT 3722 3720 3734 3735 +CONECT 3723 3712 +CONECT 3724 3713 +CONECT 3725 3716 +CONECT 3726 3716 +CONECT 3727 3717 +CONECT 3728 3717 +CONECT 3729 3718 +CONECT 3730 3718 +CONECT 3731 3719 +CONECT 3732 3721 +CONECT 3733 3721 +CONECT 3734 3722 +CONECT 3735 3722 +CONECT 3736 3714 3737 3743 +CONECT 3737 3736 3738 3740 3744 +CONECT 3738 3737 3739 3750 +CONECT 3739 3738 +CONECT 3740 3737 3741 3742 3745 +CONECT 3741 3740 3747 3748 3749 +CONECT 3742 3740 3746 +CONECT 3743 3736 +CONECT 3744 3737 +CONECT 3745 3740 +CONECT 3746 3742 +CONECT 3747 3741 +CONECT 3748 3741 +CONECT 3749 3741 +CONECT 3750 3738 3751 3758 +CONECT 3751 3750 3752 3754 3759 +CONECT 3752 3751 3753 3769 +CONECT 3753 3752 +CONECT 3754 3751 3755 3760 3761 +CONECT 3755 3754 3756 3757 3762 +CONECT 3756 3755 3763 3764 3765 +CONECT 3757 3755 3766 3767 3768 +CONECT 3758 3750 +CONECT 3759 3751 +CONECT 3760 3754 +CONECT 3761 3754 +CONECT 3762 3755 +CONECT 3763 3756 +CONECT 3764 3756 +CONECT 3765 3756 +CONECT 3766 3757 +CONECT 3767 3757 +CONECT 3768 3757 +CONECT 3769 3752 3770 3773 +CONECT 3770 3769 3771 3774 3775 +CONECT 3771 3770 3772 3776 +CONECT 3772 3771 +CONECT 3773 3769 +CONECT 3774 3770 +CONECT 3775 3770 +CONECT 3776 3771 3777 3782 +CONECT 3777 3776 3778 3780 3783 +CONECT 3778 3777 3779 3790 +CONECT 3779 3778 +CONECT 3780 3777 3781 3784 3785 +CONECT 3781 3780 3782 3786 3787 +CONECT 3782 3776 3781 3788 3789 +CONECT 3783 3777 +CONECT 3784 3780 +CONECT 3785 3780 +CONECT 3786 3781 +CONECT 3787 3781 +CONECT 3788 3782 +CONECT 3789 3782 +CONECT 3790 3778 3791 3799 +CONECT 3791 3790 3792 3794 3800 +CONECT 3792 3791 3793 3805 +CONECT 3793 3792 +CONECT 3794 3791 3795 3801 3802 +CONECT 3795 3794 3796 3803 3804 +CONECT 3796 3795 3797 3798 +CONECT 3797 3796 +CONECT 3798 3796 +CONECT 3799 3790 +CONECT 3800 3791 +CONECT 3801 3794 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3845 3841 +CONECT 3846 3841 +CONECT 3847 3842 +CONECT 3848 3839 3849 3856 +CONECT 3849 3848 3850 3852 3857 +CONECT 3850 3849 3851 3867 +CONECT 3851 3850 +CONECT 3852 3849 3853 3858 3859 +CONECT 3853 3852 3854 3855 3860 +CONECT 3854 3853 3861 3862 3863 +CONECT 3855 3853 3864 3865 3866 +CONECT 3856 3848 +CONECT 3857 3849 +CONECT 3858 3852 +CONECT 3859 3852 +CONECT 3860 3853 +CONECT 3861 3854 +CONECT 3862 3854 +CONECT 3863 3854 +CONECT 3864 3855 +CONECT 3865 3855 +CONECT 3866 3855 +CONECT 3867 3850 3868 3875 +CONECT 3868 3867 3869 3871 3876 +CONECT 3869 3868 3870 3886 +CONECT 3870 3869 +CONECT 3871 3868 3872 3877 3878 +CONECT 3872 3871 3873 3874 3879 +CONECT 3873 3872 3880 3881 3882 +CONECT 3874 3872 3883 3884 3885 +CONECT 3875 3867 +CONECT 3876 3868 +CONECT 3877 3871 +CONECT 3878 3871 +CONECT 3879 3872 +CONECT 3880 3873 +CONECT 3881 3873 +CONECT 3882 3873 +CONECT 3883 3874 +CONECT 3884 3874 +CONECT 3885 3874 +CONECT 3886 3869 3887 3892 +CONECT 3887 3886 3888 3890 3893 +CONECT 3888 3887 3889 3897 +CONECT 3889 3888 +CONECT 3890 3887 3891 3894 3895 +CONECT 3891 3890 3896 +CONECT 3892 3886 +CONECT 3893 3887 +CONECT 3894 3890 +CONECT 3895 3890 +CONECT 3896 3891 +CONECT 3897 3888 3898 3901 +CONECT 3898 3897 3899 3902 3903 +CONECT 3899 3898 3900 3904 +CONECT 3900 3899 +CONECT 3901 3897 +CONECT 3902 3898 +CONECT 3903 3898 +CONECT 3904 3899 3905 3912 +CONECT 3905 3904 3906 3908 3913 +CONECT 3906 3905 3907 3923 +CONECT 3907 3906 +CONECT 3908 3905 3909 3914 3915 +CONECT 3909 3908 3910 3911 3916 +CONECT 3910 3909 3917 3918 3919 +CONECT 3911 3909 3920 3921 3922 +CONECT 3912 3904 +CONECT 3913 3905 +CONECT 3914 3908 +CONECT 3915 3908 +CONECT 3916 3909 +CONECT 3917 3910 +CONECT 3918 3910 +CONECT 3919 3910 +CONECT 3920 3911 +CONECT 3921 3911 +CONECT 3922 3911 +CONECT 3923 3906 3924 3931 +CONECT 3924 3923 3925 3927 3932 +CONECT 3925 3924 3926 3942 +CONECT 3926 3925 +CONECT 3927 3924 3928 3933 3934 +CONECT 3928 3927 3929 3930 3935 +CONECT 3929 3928 3936 3937 3938 +CONECT 3930 3928 3939 3940 3941 +CONECT 3931 3923 +CONECT 3932 3924 +CONECT 3933 3927 +CONECT 3934 3927 +CONECT 3935 3928 +CONECT 3936 3929 +CONECT 3937 3929 +CONECT 3938 3929 +CONECT 3939 3930 +CONECT 3940 3930 +CONECT 3941 3930 +CONECT 3942 3925 3943 3951 +CONECT 3943 3942 3944 3946 3952 +CONECT 3944 3943 3945 3964 +CONECT 3945 3944 +CONECT 3946 3943 3947 3953 3954 +CONECT 3947 3946 3948 3955 3956 +CONECT 3948 3947 3949 3957 3958 +CONECT 3949 3948 3950 3959 3960 +CONECT 3950 3949 3961 3962 3963 +CONECT 3951 3942 +CONECT 3952 3943 +CONECT 3953 3946 +CONECT 3954 3946 +CONECT 3955 3947 +CONECT 3956 3947 +CONECT 3957 3948 +CONECT 3958 3948 +CONECT 3959 3949 +CONECT 3960 3949 +CONECT 3961 3950 +CONECT 3962 3950 +CONECT 3963 3950 +CONECT 3964 3944 3965 3973 +CONECT 3965 3964 3966 3968 3974 +CONECT 3966 3965 3967 3986 +CONECT 3967 3966 +CONECT 3968 3965 3969 3975 3976 +CONECT 3969 3968 3970 3977 3978 +CONECT 3970 3969 3971 3979 3980 +CONECT 3971 3970 3972 3981 3982 +CONECT 3972 3971 3983 3984 3985 +CONECT 3973 3964 +CONECT 3974 3965 +CONECT 3975 3968 +CONECT 3976 3968 +CONECT 3977 3969 +CONECT 3978 3969 +CONECT 3979 3970 +CONECT 3980 3970 +CONECT 3981 3971 +CONECT 3982 3971 +CONECT 3983 3972 +CONECT 3984 3972 +CONECT 3985 3972 +CONECT 3986 3966 3987 3994 +CONECT 3987 3986 3988 3990 3995 +CONECT 3988 3987 3989 3998 +CONECT 3989 3988 +CONECT 3990 3987 3991 3996 3997 +CONECT 3991 3990 3992 3993 +CONECT 3992 3991 +CONECT 3993 3991 +CONECT 3994 3986 +CONECT 3995 3987 +CONECT 3996 3990 +CONECT 3997 3990 +CONECT 3998 3988 3999 4004 +CONECT 3999 3998 4000 4002 4005 +CONECT 4000 3999 4001 4012 +CONECT 4001 4000 +CONECT 4002 3999 4003 4006 4007 +CONECT 4003 4002 4004 4008 4009 +CONECT 4004 3998 4003 4010 4011 +CONECT 4005 3999 +CONECT 4006 4002 +CONECT 4007 4002 +CONECT 4008 4003 +CONECT 4009 4003 +CONECT 4010 4004 +CONECT 4011 4004 +CONECT 4012 4000 4013 4021 +CONECT 4013 4012 4014 4016 4022 +CONECT 4014 4013 4015 4034 +CONECT 4015 4014 +CONECT 4016 4013 4017 4023 4024 +CONECT 4017 4016 4018 4025 4026 +CONECT 4018 4017 4019 4027 4028 +CONECT 4019 4018 4020 4029 4030 +CONECT 4020 4019 4031 4032 4033 +CONECT 4021 4012 +CONECT 4022 4013 +CONECT 4023 4016 +CONECT 4024 4016 +CONECT 4025 4017 +CONECT 4026 4017 +CONECT 4027 4018 +CONECT 4028 4018 +CONECT 4029 4019 +CONECT 4030 4019 +CONECT 4031 4020 +CONECT 4032 4020 +CONECT 4033 4020 +CONECT 4034 4014 4035 4043 +CONECT 4035 4034 4036 4038 4044 +CONECT 4036 4035 4037 4051 +CONECT 4037 4036 +CONECT 4038 4035 4039 4045 4046 +CONECT 4039 4038 4040 4047 4048 +CONECT 4040 4039 4041 4042 +CONECT 4041 4040 4049 4050 +CONECT 4042 4040 +CONECT 4043 4034 +CONECT 4044 4035 +CONECT 4045 4038 +CONECT 4046 4038 +CONECT 4047 4039 +CONECT 4048 4039 +CONECT 4049 4041 +CONECT 4050 4041 +CONECT 4051 4036 4052 4062 +CONECT 4052 4051 4053 4055 4063 +CONECT 4053 4052 4054 4075 +CONECT 4054 4053 +CONECT 4055 4052 4056 4064 4065 +CONECT 4056 4055 4057 4066 4067 +CONECT 4057 4056 4058 4068 4069 +CONECT 4058 4057 4059 4070 +CONECT 4059 4058 4060 4061 +CONECT 4060 4059 4071 4072 +CONECT 4061 4059 4073 4074 +CONECT 4062 4051 +CONECT 4063 4052 +CONECT 4064 4055 +CONECT 4065 4055 +CONECT 4066 4056 +CONECT 4067 4056 +CONECT 4068 4057 +CONECT 4069 4057 +CONECT 4070 4058 +CONECT 4071 4060 +CONECT 4072 4060 +CONECT 4073 4061 +CONECT 4074 4061 +CONECT 4075 4053 4076 4083 +CONECT 4076 4075 4077 4079 4084 +CONECT 4077 4076 4078 4094 +CONECT 4078 4077 +CONECT 4079 4076 4080 4085 4086 +CONECT 4080 4079 4081 4082 4087 +CONECT 4081 4080 4088 4089 4090 +CONECT 4082 4080 4091 4092 4093 +CONECT 4083 4075 +CONECT 4084 4076 +CONECT 4085 4079 +CONECT 4086 4079 +CONECT 4087 4080 +CONECT 4088 4081 +CONECT 4089 4081 +CONECT 4090 4081 +CONECT 4091 4082 +CONECT 4092 4082 +CONECT 4093 4082 +CONECT 4094 4077 4095 4098 +CONECT 4095 4094 4096 4099 4100 +CONECT 4096 4095 4097 4101 +CONECT 4097 4096 +CONECT 4098 4094 +CONECT 4099 4095 +CONECT 4100 4095 +CONECT 4101 4096 4102 4105 +CONECT 4102 4101 4103 4106 4107 +CONECT 4103 4102 4104 4108 +CONECT 4104 4103 +CONECT 4105 4101 +CONECT 4106 4102 +CONECT 4107 4102 +CONECT 4108 4103 4109 4112 +CONECT 4109 4108 4110 4113 4114 +CONECT 4110 4109 4111 4115 +CONECT 4111 4110 +CONECT 4112 4108 +CONECT 4113 4109 +CONECT 4114 4109 +CONECT 4115 4110 4116 4121 +CONECT 4116 4115 4117 4119 4122 +CONECT 4117 4116 4118 4126 +CONECT 4118 4117 +CONECT 4119 4116 4120 4123 4124 +CONECT 4120 4119 4125 +CONECT 4121 4115 +CONECT 4122 4116 +CONECT 4123 4119 +CONECT 4124 4119 +CONECT 4125 4120 +CONECT 4126 4117 4127 4135 +CONECT 4127 4126 4128 4130 4136 +CONECT 4128 4127 4129 4141 +CONECT 4129 4128 +CONECT 4130 4127 4131 4137 4138 +CONECT 4131 4130 4132 4139 4140 +CONECT 4132 4131 4133 4134 +CONECT 4133 4132 +CONECT 4134 4132 +CONECT 4135 4126 +CONECT 4136 4127 +CONECT 4137 4130 +CONECT 4138 4130 +CONECT 4139 4131 +CONECT 4140 4131 +CONECT 4141 4128 4142 4149 +CONECT 4142 4141 4143 4145 4150 +CONECT 4143 4142 4144 4153 +CONECT 4144 4143 +CONECT 4145 4142 4146 4151 4152 +CONECT 4146 4145 4147 4148 +CONECT 4147 4146 +CONECT 4148 4146 +CONECT 4149 4141 +CONECT 4150 4142 +CONECT 4151 4145 +CONECT 4152 4145 +CONECT 4153 4143 4154 4158 +CONECT 4154 4153 4155 4157 4159 +CONECT 4155 4154 4156 4163 +CONECT 4156 4155 +CONECT 4157 4154 4160 4161 4162 +CONECT 4158 4153 +CONECT 4159 4154 +CONECT 4160 4157 +CONECT 4161 4157 +CONECT 4162 4157 +CONECT 4163 4155 4164 4172 +CONECT 4164 4163 4165 4167 4173 +CONECT 4165 4164 4166 4185 +CONECT 4166 4165 +CONECT 4167 4164 4168 4174 4175 +CONECT 4168 4167 4169 4176 4177 +CONECT 4169 4168 4170 4178 4179 +CONECT 4170 4169 4171 4180 4181 +CONECT 4171 4170 4182 4183 4184 +CONECT 4172 4163 +CONECT 4173 4164 +CONECT 4174 4167 +CONECT 4175 4167 +CONECT 4176 4168 +CONECT 4177 4168 +CONECT 4178 4169 +CONECT 4179 4169 +CONECT 4180 4170 +CONECT 4181 4170 +CONECT 4182 4171 +CONECT 4183 4171 +CONECT 4184 4171 +CONECT 4185 4165 4186 4194 +CONECT 4186 4185 4187 4189 4195 +CONECT 4187 4186 4188 4200 +CONECT 4188 4187 +CONECT 4189 4186 4190 4196 4197 +CONECT 4190 4189 4191 4198 4199 +CONECT 4191 4190 4192 4193 +CONECT 4192 4191 +CONECT 4193 4191 +CONECT 4194 4185 +CONECT 4195 4186 +CONECT 4196 4189 +CONECT 4197 4189 +CONECT 4198 4190 +CONECT 4199 4190 +CONECT 4200 4187 4201 4208 +CONECT 4201 4200 4202 4204 4209 +CONECT 4202 4201 4203 4219 +CONECT 4203 4202 +CONECT 4204 4201 4205 4206 4210 +CONECT 4205 4204 4207 4211 4212 +CONECT 4206 4204 4213 4214 4215 +CONECT 4207 4205 4216 4217 4218 +CONECT 4208 4200 +CONECT 4209 4201 +CONECT 4210 4204 +CONECT 4211 4205 +CONECT 4212 4205 +CONECT 4213 4206 +CONECT 4214 4206 +CONECT 4215 4206 +CONECT 4216 4207 +CONECT 4217 4207 +CONECT 4218 4207 +CONECT 4219 4202 4220 4227 +CONECT 4220 4219 4221 4223 4228 +CONECT 4221 4220 4222 4236 +CONECT 4222 4221 +CONECT 4223 4220 4224 4229 4230 +CONECT 4224 4223 4225 4231 4232 +CONECT 4225 4224 4226 +CONECT 4226 4225 4233 4234 4235 +CONECT 4227 4219 +CONECT 4228 4220 +CONECT 4229 4223 +CONECT 4230 4223 +CONECT 4231 4224 +CONECT 4232 4224 +CONECT 4233 4226 +CONECT 4234 4226 +CONECT 4235 4226 +CONECT 4236 4221 4237 4245 +CONECT 4237 4236 4238 4240 4246 +CONECT 4238 4237 4239 4253 +CONECT 4239 4238 +CONECT 4240 4237 4241 4247 4248 +CONECT 4241 4240 4242 4249 4250 +CONECT 4242 4241 4243 4244 +CONECT 4243 4242 4251 4252 +CONECT 4244 4242 +CONECT 4245 4236 +CONECT 4246 4237 +CONECT 4247 4240 +CONECT 4248 4240 +CONECT 4249 4241 +CONECT 4250 4241 +CONECT 4251 4243 +CONECT 4252 4243 +CONECT 4253 4238 4254 4263 +CONECT 4254 4253 4255 4257 4264 +CONECT 4255 4254 4256 4270 +CONECT 4256 4255 +CONECT 4257 4254 4258 4265 4266 +CONECT 4258 4257 4259 4260 +CONECT 4259 4258 4262 4268 +CONECT 4260 4258 4261 4267 +CONECT 4261 4260 4262 4269 +CONECT 4262 4259 4261 +CONECT 4263 4253 +CONECT 4264 4254 +CONECT 4265 4257 +CONECT 4266 4257 +CONECT 4267 4260 +CONECT 4268 4259 +CONECT 4269 4261 +CONECT 4270 4255 4271 4281 +CONECT 4271 4270 4272 4274 4282 +CONECT 4272 4271 4273 4294 +CONECT 4273 4272 +CONECT 4274 4271 4275 4283 4284 +CONECT 4275 4274 4276 4285 4286 +CONECT 4276 4275 4277 4287 4288 +CONECT 4277 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4448 4454 4455 4456 +CONECT 4450 4448 4457 4458 4459 +CONECT 4451 4444 +CONECT 4452 4445 +CONECT 4453 4448 +CONECT 4454 4449 +CONECT 4455 4449 +CONECT 4456 4449 +CONECT 4457 4450 +CONECT 4458 4450 +CONECT 4459 4450 +CONECT 4460 4446 4461 4472 +CONECT 4461 4460 4462 4464 4473 +CONECT 4462 4461 4463 4481 +CONECT 4463 4462 +CONECT 4464 4461 4465 4474 4475 +CONECT 4465 4464 4466 4467 +CONECT 4466 4465 4468 4476 +CONECT 4467 4465 4469 4477 +CONECT 4468 4466 4470 4478 +CONECT 4469 4467 4470 4479 +CONECT 4470 4468 4469 4471 +CONECT 4471 4470 4480 +CONECT 4472 4460 +CONECT 4473 4461 +CONECT 4474 4464 +CONECT 4475 4464 +CONECT 4476 4466 +CONECT 4477 4467 +CONECT 4478 4468 +CONECT 4479 4469 +CONECT 4480 4471 +CONECT 4481 4462 4482 4490 +CONECT 4482 4481 4483 4485 4491 +CONECT 4483 4482 4484 4496 +CONECT 4484 4483 +CONECT 4485 4482 4486 4492 4493 +CONECT 4486 4485 4487 4494 4495 +CONECT 4487 4486 4488 4489 +CONECT 4488 4487 +CONECT 4489 4487 +CONECT 4490 4481 +CONECT 4491 4482 +CONECT 4492 4485 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4574 +CONECT 4579 4574 +CONECT 4580 4575 +CONECT 4581 4575 +CONECT 4582 4576 +CONECT 4583 4576 +CONECT 4584 4572 4585 4590 +CONECT 4585 4584 4586 4588 4591 +CONECT 4586 4585 4587 4598 +CONECT 4587 4586 +CONECT 4588 4585 4589 4592 4593 +CONECT 4589 4588 4590 4594 4595 +CONECT 4590 4584 4589 4596 4597 +CONECT 4591 4585 +CONECT 4592 4588 +CONECT 4593 4588 +CONECT 4594 4589 +CONECT 4595 4589 +CONECT 4596 4590 +CONECT 4597 4590 +CONECT 4598 4586 4599 4609 +CONECT 4599 4598 4600 4602 4610 +CONECT 4600 4599 4601 4618 +CONECT 4601 4600 +CONECT 4602 4599 4603 4611 4612 +CONECT 4603 4602 4604 4605 +CONECT 4604 4603 4606 4613 +CONECT 4605 4603 4607 4614 +CONECT 4606 4604 4608 4615 +CONECT 4607 4605 4608 4616 +CONECT 4608 4606 4607 4617 +CONECT 4609 4598 +CONECT 4610 4599 +CONECT 4611 4602 +CONECT 4612 4602 +CONECT 4613 4604 +CONECT 4614 4605 +CONECT 4615 4606 +CONECT 4616 4607 +CONECT 4617 4608 +CONECT 4618 4600 4619 4627 +CONECT 4619 4618 4620 4622 4628 +CONECT 4620 4619 4621 4640 +CONECT 4621 4620 +CONECT 4622 4619 4623 4629 4630 +CONECT 4623 4622 4624 4631 4632 +CONECT 4624 4623 4625 4633 4634 +CONECT 4625 4624 4626 4635 4636 +CONECT 4626 4625 4637 4638 4639 +CONECT 4627 4618 +CONECT 4628 4619 +CONECT 4629 4622 +CONECT 4630 4622 +CONECT 4631 4623 +CONECT 4632 4623 +CONECT 4633 4624 +CONECT 4634 4624 +CONECT 4635 4625 +CONECT 4636 4625 +CONECT 4637 4626 +CONECT 4638 4626 +CONECT 4639 4626 +CONECT 4640 4620 4641 4646 +CONECT 4641 4640 4642 4644 4647 +CONECT 4642 4641 4643 4654 +CONECT 4643 4642 +CONECT 4644 4641 4645 4648 4649 +CONECT 4645 4644 4646 4650 4651 +CONECT 4646 4640 4645 4652 4653 +CONECT 4647 4641 +CONECT 4648 4644 +CONECT 4649 4644 +CONECT 4650 4645 +CONECT 4651 4645 +CONECT 4652 4646 +CONECT 4653 4646 +CONECT 4654 4642 4655 4663 +CONECT 4655 4654 4656 4658 4664 +CONECT 4656 4655 4657 4671 +CONECT 4657 4656 +CONECT 4658 4655 4659 4665 4666 +CONECT 4659 4658 4660 4667 4668 +CONECT 4660 4659 4661 4662 +CONECT 4661 4660 4669 4670 +CONECT 4662 4660 +CONECT 4663 4654 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4966 4958 +CONECT 4967 4958 +CONECT 4968 4959 +CONECT 4969 4959 +CONECT 4970 4959 +CONECT 4971 4954 4972 4978 +CONECT 4972 4971 4973 4975 4979 +CONECT 4973 4972 4974 4985 +CONECT 4974 4973 +CONECT 4975 4972 4976 4977 4980 +CONECT 4976 4975 4982 4983 4984 +CONECT 4977 4975 4981 +CONECT 4978 4971 +CONECT 4979 4972 +CONECT 4980 4975 +CONECT 4981 4977 +CONECT 4982 4976 +CONECT 4983 4976 +CONECT 4984 4976 +CONECT 4985 4973 4986 4993 +CONECT 4986 4985 4987 4989 4994 +CONECT 4987 4986 4988 5004 +CONECT 4988 4987 +CONECT 4989 4986 4990 4991 4995 +CONECT 4990 4989 4992 4996 4997 +CONECT 4991 4989 4998 4999 5000 +CONECT 4992 4990 5001 5002 5003 +CONECT 4993 4985 +CONECT 4994 4986 +CONECT 4995 4989 +CONECT 4996 4990 +CONECT 4997 4990 +CONECT 4998 4991 +CONECT 4999 4991 +CONECT 5000 4991 +CONECT 5001 4992 +CONECT 5002 4992 +CONECT 5003 4992 +CONECT 5004 4987 5005 5011 +CONECT 5005 5004 5006 5008 5012 +CONECT 5006 5005 5007 5018 +CONECT 5007 5006 +CONECT 5008 5005 5009 5010 5013 +CONECT 5009 5008 5015 5016 5017 +CONECT 5010 5008 5014 +CONECT 5011 5004 +CONECT 5012 5005 +CONECT 5013 5008 +CONECT 5014 5010 +CONECT 5015 5009 +CONECT 5016 5009 +CONECT 5017 5009 +CONECT 5018 5006 5019 5024 +CONECT 5019 5018 5020 5022 5025 +CONECT 5020 5019 5021 5032 +CONECT 5021 5020 +CONECT 5022 5019 5023 5026 5027 +CONECT 5023 5022 5024 5028 5029 +CONECT 5024 5018 5023 5030 5031 +CONECT 5025 5019 +CONECT 5026 5022 +CONECT 5027 5022 +CONECT 5028 5023 +CONECT 5029 5023 +CONECT 5030 5024 +CONECT 5031 5024 +CONECT 5032 5020 +CONECT 5033 5034 5043 5044 +CONECT 5034 5033 5035 5037 5039 +CONECT 5035 5034 5036 5045 +CONECT 5036 5035 +CONECT 5037 5034 5038 5040 5041 +CONECT 5038 5037 5042 +CONECT 5039 5034 +CONECT 5040 5037 +CONECT 5041 5037 +CONECT 5042 5038 +CONECT 5043 5033 +CONECT 5044 5033 +CONECT 5045 5035 5046 5053 +CONECT 5046 5045 5047 5049 5054 +CONECT 5047 5046 5048 5062 +CONECT 5048 5047 +CONECT 5049 5046 5050 5055 5056 +CONECT 5050 5049 5051 5057 5058 +CONECT 5051 5050 5052 +CONECT 5052 5051 5059 5060 5061 +CONECT 5053 5045 +CONECT 5054 5046 +CONECT 5055 5049 +CONECT 5056 5049 +CONECT 5057 5050 +CONECT 5058 5050 +CONECT 5059 5052 +CONECT 5060 5052 +CONECT 5061 5052 +CONECT 5062 5047 5063 5071 +CONECT 5063 5062 5064 5066 5072 +CONECT 5064 5063 5065 5077 +CONECT 5065 5064 +CONECT 5066 5063 5067 5073 5074 +CONECT 5067 5066 5068 5075 5076 +CONECT 5068 5067 5069 5070 +CONECT 5069 5068 +CONECT 5070 5068 +CONECT 5071 5062 +CONECT 5072 5063 +CONECT 5073 5066 +CONECT 5074 5066 +CONECT 5075 5067 +CONECT 5076 5067 +CONECT 5077 5064 5078 5083 +CONECT 5078 5077 5079 5081 5084 +CONECT 5079 5078 5080 5088 +CONECT 5080 5079 +CONECT 5081 5078 5082 5085 5086 +CONECT 5082 5081 5087 +CONECT 5083 5077 +CONECT 5084 5078 +CONECT 5085 5081 +CONECT 5086 5081 +CONECT 5087 5082 +CONECT 5088 5079 5089 5095 +CONECT 5089 5088 5090 5092 5096 +CONECT 5090 5089 5091 5104 +CONECT 5091 5090 +CONECT 5092 5089 5093 5094 5097 +CONECT 5093 5092 5098 5099 5100 +CONECT 5094 5092 5101 5102 5103 +CONECT 5095 5088 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+CONECT 5269 5260 +CONECT 5270 5262 +CONECT 5271 5262 +CONECT 5272 5257 5273 5283 +CONECT 5273 5272 5274 5276 5284 +CONECT 5274 5273 5275 5292 +CONECT 5275 5274 +CONECT 5276 5273 5277 5285 5286 +CONECT 5277 5276 5278 5279 +CONECT 5278 5277 5280 5287 +CONECT 5279 5277 5281 5288 +CONECT 5280 5278 5282 5289 +CONECT 5281 5279 5282 5290 +CONECT 5282 5280 5281 5291 +CONECT 5283 5272 +CONECT 5284 5273 +CONECT 5285 5276 +CONECT 5286 5276 +CONECT 5287 5278 +CONECT 5288 5279 +CONECT 5289 5280 +CONECT 5290 5281 +CONECT 5291 5282 +CONECT 5292 5274 5293 5300 +CONECT 5293 5292 5294 5296 5301 +CONECT 5294 5293 5295 5304 +CONECT 5295 5294 +CONECT 5296 5293 5297 5302 5303 +CONECT 5297 5296 5298 5299 +CONECT 5298 5297 +CONECT 5299 5297 +CONECT 5300 5292 +CONECT 5301 5293 +CONECT 5302 5296 +CONECT 5303 5296 +CONECT 5304 5294 5305 5316 +CONECT 5305 5304 5306 5308 5317 +CONECT 5306 5305 5307 5325 +CONECT 5307 5306 +CONECT 5308 5305 5309 5318 5319 +CONECT 5309 5308 5310 5311 +CONECT 5310 5309 5312 5320 +CONECT 5311 5309 5313 5321 +CONECT 5312 5310 5314 5322 +CONECT 5313 5311 5314 5323 +CONECT 5314 5312 5313 5315 +CONECT 5315 5314 5324 +CONECT 5316 5304 +CONECT 5317 5305 +CONECT 5318 5308 +CONECT 5319 5308 +CONECT 5320 5310 +CONECT 5321 5311 +CONECT 5322 5312 +CONECT 5323 5313 +CONECT 5324 5315 +CONECT 5325 5306 5326 5331 +CONECT 5326 5325 5327 5329 5332 +CONECT 5327 5326 5328 5336 +CONECT 5328 5327 +CONECT 5329 5326 5330 5333 5334 +CONECT 5330 5329 5335 +CONECT 5331 5325 +CONECT 5332 5326 +CONECT 5333 5329 +CONECT 5334 5329 +CONECT 5335 5330 +CONECT 5336 5327 5337 5341 +CONECT 5337 5336 5338 5340 5342 +CONECT 5338 5337 5339 5346 +CONECT 5339 5338 +CONECT 5340 5337 5343 5344 5345 +CONECT 5341 5336 +CONECT 5342 5337 +CONECT 5343 5340 +CONECT 5344 5340 +CONECT 5345 5340 +CONECT 5346 5338 5347 5352 +CONECT 5347 5346 5348 5350 5353 +CONECT 5348 5347 5349 5357 +CONECT 5349 5348 +CONECT 5350 5347 5351 5354 5355 +CONECT 5351 5350 5356 +CONECT 5352 5346 +CONECT 5353 5347 +CONECT 5354 5350 +CONECT 5355 5350 +CONECT 5356 5351 +CONECT 5357 5348 +CONECT 5358 5359 5363 5384 +CONECT 5359 5358 5360 5385 +CONECT 5360 5359 5361 5362 +CONECT 5361 5360 5386 5387 +CONECT 5362 5360 5363 5364 +CONECT 5363 5358 5362 5368 +CONECT 5364 5362 5365 5366 +CONECT 5365 5364 +CONECT 5366 5364 5367 5388 +CONECT 5367 5366 5368 5369 +CONECT 5368 5363 5367 5405 +CONECT 5369 5367 5370 5389 5390 +CONECT 5370 5369 5371 5391 5392 +CONECT 5371 5370 5372 5373 5393 +CONECT 5372 5371 5394 +CONECT 5373 5371 5374 5395 5396 +CONECT 5374 5373 5375 5397 5398 +CONECT 5375 5374 5376 5377 5399 +CONECT 5376 5375 5400 +CONECT 5377 5375 5378 5382 +CONECT 5378 5377 5379 5401 +CONECT 5379 5378 5380 5402 +CONECT 5380 5379 5381 5383 +CONECT 5381 5380 5382 5403 +CONECT 5382 5377 5381 5404 +CONECT 5383 5380 +CONECT 5384 5358 +CONECT 5385 5359 +CONECT 5386 5361 +CONECT 5387 5361 +CONECT 5388 5366 +CONECT 5389 5369 +CONECT 5390 5369 +CONECT 5391 5370 +CONECT 5392 5370 +CONECT 5393 5371 +CONECT 5394 5372 +CONECT 5395 5373 +CONECT 5396 5373 +CONECT 5397 5374 +CONECT 5398 5374 +CONECT 5399 5375 +CONECT 5400 5376 +CONECT 5401 5378 +CONECT 5402 5379 +CONECT 5403 5381 +CONECT 5404 5382 +CONECT 5405 5368 +END diff --git a/paper_results/docking/AKT1_inhibitors_DockingScores.csv b/paper_results/docking/AKT1_inhibitors_DockingScores.csv new file mode 100644 index 0000000..778996f --- /dev/null +++ b/paper_results/docking/AKT1_inhibitors_DockingScores.csv @@ -0,0 +1,2242 @@ +CHEMBL_ID,SMILES,DOCKING_SCORE +CHEMBL1258900,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H](C[NH3+])Cc4ccc(Cl)cc4)CC3)c12,-10.96 +CHEMBL2178598,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)CO)c4ccc(C(F)(F)F)c(F)c4)CC3)c21,-10.912 +CHEMBL1258780,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]cc(C4CC4)c23)CC1,-10.881 +CHEMBL407891,c1nc(N2CCc3[nH]c[nH+]c3C2)c2cc[nH]c2n1,-10.789 +CHEMBL1170447,N#Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4F)C3)c12,-10.768 +CHEMBL1258781,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1,-10.647 +CHEMBL2325995,[NH3+]C1(C(=O)N[C@H](CCC[NH+]2CCOCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-10.638 +CHEMBL1258665,CCc1c[nH]c2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c12,-10.559 +CHEMBL2177361,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]CC4CC4)c4ccc(C(F)(F)F)c(F)c4)CC3)c21,-10.538 +CHEMBL1257282,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(F)cc4)CC3)c12,-10.532 +CHEMBL1169623,[NH3+][C@]1(CNC(=O)c2ccc(F)cc2F)CCN(c2ncnc3[nH]cc(Cl)c23)C1,-10.516 +CHEMBL1171993,N#Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4)C3)c12,-10.489 +CHEMBL2178597,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)C)c4ccc(C(F)(F)F)c(F)c4)CC3)c21,-10.447 +CHEMBL1258552,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1,-10.421 +CHEMBL469560,[NH3+]C[C@H](NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-10.387 +CHEMBL2325990,C[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(S(C)(=O)=O)cc1,-10.378 +CHEMBL1171673,Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC(=O)c4ccc(F)cc4)C3)c12,-10.337 +CHEMBL2325737,[NH3+]C1(C(=O)N[C@H](CO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-10.329 +CHEMBL2325993,C[NH+](C)CCC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-10.32 +CHEMBL2325987,C[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(F)cc1,-10.314 +CHEMBL2325733,NS(=O)(=O)C[C@@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-10.287 +CHEMBL2177371,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH3+])c4ccc(C(F)(F)F)cc4)CC3)c21,-10.272 +CHEMBL1171994,Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4)C3)c12,-10.238 +CHEMBL1169610,[NH3+][C@]1(CNC(=O)c2ccc(F)cc2)CCN(c2ncnc3[nH]cc(Cl)c23)C1,-10.214 +CHEMBL512480,[NH3+]C[C@H](C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-10.202 +CHEMBL2325992,C[NH+](C)CC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-10.183 +CHEMBL2325727,C[NH+](C)CC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-10.183 +CHEMBL523586,[NH3+]C[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-10.179 +CHEMBL1170261,CCc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4)C3)c12,-10.168 +CHEMBL1760760,CCOCCN(C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(c3ncnc4[nH]nc(C)c34)C2)C1)S(=O)(=O)c1c(C)cccc1C,-10.147 +CHEMBL1236822,[NH3+]C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1,-10.143 +CHEMBL2325735,CS(=O)(=O)NC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-10.135 +CHEMBL2325994,[NH3+]C1(C(=O)N[C@H](CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-10.123 +CHEMBL2325730,NC(=O)[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-10.094 +CHEMBL498052,[NH3+]C[C@H](Cc1ccccc1F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-10.086 +CHEMBL1171647,CCc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4F)C3)c12,-10.075 +CHEMBL2325732,CC(=O)NC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-10.047 +CHEMBL1257628,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4cn[nH]c4)cc23)CC1,-10.043 +CHEMBL2325739,[NH3+]C1(C(=O)N[C@H](CCCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-10.035 +CHEMBL469561,[NH3+]C[C@H](CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-10.033 +CHEMBL1632375,C[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)c(F)c4)CC3)c21,-10.008 +CHEMBL3899777,N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC[NH3+])CC1,-10.005 +CHEMBL513019,[NH3+]CCC[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-10.002 +CHEMBL2325729,[NH3+]C1(C(=O)N[C@@H](CC[NH+]2CCCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-9.998 +CHEMBL2325742,C[C@@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.996 +CHEMBL2325996,NC1(C(=O)N[C@H](CCC[NH+]2CCCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-9.992 +CHEMBL1257402,[NH3+]C[C@@H](C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.98 +CHEMBL2325731,CN(C)C(=O)C[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.971 +CHEMBL1170263,Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(Cl)cc4)C3)c12,-9.902 +CHEMBL1632372,CC[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c21,-9.871 +CHEMBL2325736,CS(=O)(=O)NCC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.849 +CHEMBL1257512,[NH3+]C[C@@H](C(=O)N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)c1ccc(Cl)c(Cl)c1,-9.849 +CHEMBL512305,[NH3+]C[C@H](NC(=O)c1cc(-c2c[nH]c3ncccc23)cs1)c1ccccc1,-9.842 +CHEMBL2325983,[NH3+]C1(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CCN(c2ncnc3[nH]ccc23)CC1,-9.832 +CHEMBL2325734,NS(=O)(=O)CC[C@@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.832 +CHEMBL598194,[NH3+]C1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-9.819 +CHEMBL3961106,C[NH+](C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2Br)CC1,-9.816 +CHEMBL1235979,C[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4c[nH]c5ccccc45)CC3)c21,-9.813 +CHEMBL512672,[NH3+]C[C@H](NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1)c1ccccc1,-9.81 +CHEMBL1170262,N#Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(Cl)cc4)C3)c12,-9.768 +CHEMBL1171842,Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC(=O)c4ccccc4)C3)c12,-9.765 +CHEMBL2325743,C[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.757 +CHEMBL2325997,C[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.757 +CHEMBL3949795,C[NH2+]CCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,-9.749 +CHEMBL2177377,COCC[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1,-9.743 +CHEMBL2177362,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C4CCOCC4)c4ccc(Cl)c(F)c4)CC3)c21,-9.735 +CHEMBL1173384,Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC=O)C3)c12,-9.717 +CHEMBL1171841,CC(=O)NC[C@@]1([NH3+])CCN(c2ncnc3[nH]cc(C)c23)C1,-9.706 +CHEMBL3544960,[NH3+]C[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,-9.697 +CHEMBL1257513,CC(C)c1ccc(C[C@@H](C[NH3+])C(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)cc1,-9.69 +CHEMBL498051,[NH3+]C[C@H](Cc1ccncc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-9.686 +CHEMBL2325982,CC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.682 +CHEMBL2177378,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)CO)c4ccc(Cl)cc4)CC3)c21,-9.682 +CHEMBL2177390,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1,-9.681 +CHEMBL2021603,Cc1c[nH]c2ncnc(N3CC[C@H]([NH3+])C3)c12,-9.68 +CHEMBL512858,[NH3+]C[C@H](NC(=O)c1cc(C2CC2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-9.674 +CHEMBL4217723,O=C(N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)C1(c2cccc(Br)c2)CC[NH2+]CC1,-9.671 +CHEMBL1173350,Clc1c[nH]c2ncnc(N3CCC4(CC[NH2+]CC4)C3)c12,-9.654 +CHEMBL4212000,O=C(N1CCN(c2ncnc3[nH]cc(Br)c23)CC1)C1(c2cccc(Br)c2)CC[NH2+]CC1,-9.624 +CHEMBL2177369,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](c4ccc(Cl)cc4)[C@@H]4CCCC[NH2+]4)CC3)c21,-9.605 +CHEMBL1258553,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ncc23)CC1,-9.595 +CHEMBL3113150,[NH3+]CCN[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,-9.585 +CHEMBL3909655,Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)[nH+]c1C1CCN(c2ncnc(N)c2-c2cccc(C#N)c2)CC1,-9.575 +CHEMBL258837,N#Cc1c[nH]c2ncnc(N3CC4(CC[NH2+]CC4)c4ccccc43)c12,-9.572 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+CHEMBL3903066,COCC[NH2+]CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)[nH+]c1C1CCN(c2ncnc(N)c2C#N)CC1,-7.765 +CHEMBL3112864,C[C@@H]1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,-7.762 +CHEMBL3699788,C[C@@H]1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,-7.762 +CHEMBL1632385,CC(C)[NH2+]C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)CC1,-7.759 +CHEMBL227326,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc5c4OC(F)(F)O5)c3)cc12,-7.756 +CHEMBL3929885,NC(=O)c1c(N)ncnc1N1CCC(c2[nH+]c(-c3cnoc3)cn2CC[NH+]2CCC2)CC1,-7.754 +CHEMBL3906130,Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)c[nH]3)CC2)c1Br,-7.753 +CHEMBL3699791,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1Cc2ccccc2C1,-7.753 +CHEMBL575428,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCCN5CCOCC5)c4)c3)cc12,-7.751 +CHEMBL605410,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(C#N)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-7.743 +CHEMBL3947247,C[C@@](F)(C(=O)N1CCc2c(F)cccc21)c1nc(N2CCOCC2)cc(=O)[nH]1,-7.741 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+CHEMBL470620,C[NH+](C)C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-7.329 +CHEMBL3917257,Nc1cc(N2CCC(c3[nH+]c(-c4ccc(F)c(C(F)(F)F)c4)cn3CC[NH+]3CCC3)CC2)ncn1,-7.328 +CHEMBL579053,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2[nH]cc[nH+]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-7.328 +CHEMBL210628,N#C/C=C/c1c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1,-7.325 +CHEMBL255559,Nc1nn(CCO)c2nc(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,-7.315 +CHEMBL3959404,CC[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-7.315 +CHEMBL3701772,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(=O)NCCO)ccc3-4)cc2)C1,-7.314 +CHEMBL574764,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12,-7.313 +CHEMBL3984164,Cc1cc(-c2cn(CC[NH+](C)C)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)[nH+]2)ccc1F,-7.312 +CHEMBL3897066,Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)[nH+]c1C1CCN(c2ncnc(N)c2-c2ccc(C#N)cc2)CC1,-7.311 +CHEMBL226996,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)ccc1Br,-7.311 +CHEMBL3649679,[NH3+]C1(c2ccc(-n3c(-c4cccc(O)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,-7.309 +CHEMBL227323,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4F)c3)cc12,-7.308 +CHEMBL3954017,COc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC[NH+]2CCC2)CC1,-7.307 +CHEMBL1081438,[NH3+][C@H](CNc1nnc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)s1)Cc1cccc(C(F)(F)F)c1,-7.307 +CHEMBL3945651,C[NH+]1CCC2(CC1)CN(C(=O)Cc1nc(N3CCOCC3)cc(=O)[nH]1)c1ccccc12,-7.302 +CHEMBL1632382,Cc1ccc(C[C@H](C[NH2+]C(C)C)C(=O)N2CCN(c3ncnc4c3[C@H](C)SC4)CC2)cc1,-7.301 +CHEMBL3890965,Nc1cc(N2CCC(c3[nH+]c(-c4ccc(C(F)(F)F)cc4)cn3CC[NH+]3CCCC3)CC2)ncn1,-7.297 +CHEMBL470202,[NH3+]C[C@H](NC(=O)c1cc(-c2cn[nH]c2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-7.293 +CHEMBL206819,[NH3+][C@H](COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12,-7.292 +CHEMBL3897576,COCC[N@@H+](C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1,-7.29 +CHEMBL3963881,CCc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(F)c(C(F)(F)F)c3)cn2CC[NH+]2CC(C)C2)CC1,-7.289 +CHEMBL3935986,N#Cc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(F)c(C(F)(F)F)c3)cn2[C@@H]2CC[NH2+]C2)CC1,-7.288 +CHEMBL575631,Cc1ccc([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)o1,-7.288 +CHEMBL4460688,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)s1,-7.283 +CHEMBL1081660,Nc1noc2ccc(-c3cnc(NC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)s3)cc12,-7.28 +CHEMBL379209,N#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,-7.28 +CHEMBL594933,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,-7.278 +CHEMBL1173697,Cc1c[nH]c2ncnc(N3CC[C@@H](NS(=O)(=O)c4ccccc4)C3)c12,-7.275 +CHEMBL3672522,[NH3+]C1(c2ccc(-c3nc4c5ccc(-c6ccc(F)c(CO)c6)cc5nn4cc3-c3ccccc3)cc2)CCC1,-7.272 +CHEMBL3960355,N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC[NH2+]C2CCCC2)CC1,-7.271 +CHEMBL1632368,CC(C)[NH2+]C[C@H](Cc1ccc(Cl)c(F)c1)C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)CC1,-7.27 +CHEMBL3964324,C[C@@H]1Cc2c(OC(F)F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-7.269 +CHEMBL389438,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)c3)cc12,-7.264 +CHEMBL3976678,CC(C)[N@H+](C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1,-7.264 +CHEMBL210940,CC(C)(Cc1cc[nH]c1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-7.258 +CHEMBL3953697,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3ccccc3F)cccc21,-7.258 +CHEMBL1081425,[NH3+][C@H](CNc1cnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,-7.256 +CHEMBL3941451,Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CC[NH+]3CCC3)CC2)c1-c1cnoc1,-7.249 +CHEMBL211281,c1ccc2c(C[C@@H](COc3cncc(-c4cc5ccncc5s4)c3)Nc3cc4ccncc4s3)c[nH]c2c1,-7.247 +CHEMBL3961556,Nc1ncnc(N2CCC(c3nc(-c4ccc(O)c(C(F)(F)F)c4)cn3CC[NH+]3CCCC3)CC2)c1Cl,-7.247 +CHEMBL575385,[NH3+][C@H](COc1cncc(-c2cnc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,-7.246 +CHEMBL208761,C[C@@H]1C(=O)Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)[C@@H](C)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc21,-7.245 +CHEMBL401999,Nc1nc(N)c2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2n1,-7.241 +CHEMBL575384,CC(C)=C1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-7.238 +CHEMBL1823655,O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1)c1ccc2cnccc2c1,-7.238 +CHEMBL3947888,N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CC[NH+]2CCC2)CC1,-7.236 +CHEMBL450772,O=S1(=O)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1,-7.231 +CHEMBL226625,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12,-7.227 +CHEMBL3640740,Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCC(C(=O)N5CCOCC5)CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-7.225 +CHEMBL1760773,Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3[nH+]cnc(N)c3C3CC3)C2)C1,-7.225 +CHEMBL3957657,Cc1cc(-c2cn(CC[NH+](C)C)c(C3CCN(c4ncnc(N)c4-c4cn[nH]c4)CC3)[nH+]2)ccc1F,-7.221 +CHEMBL225789,Nc1cc2[nH]nc(Cl)c2cc1-c1cncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1,-7.219 +CHEMBL378870,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])c4ccccc4)c3)cc12,-7.218 +CHEMBL3933596,NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CC[NH+]2CCCC2)CC1,-7.217 +CHEMBL3910203,C[C@@H]1Cc2c(O)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-7.217 +CHEMBL229798,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(F)c4F)c3)cc12,-7.216 +CHEMBL3927440,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC[NH+]2CCCC2)CC1,-7.214 +CHEMBL210093,[NH3+][C@H](COc1cncc(-c2ccc3c(F)nccc3c2)c1)Cc1c[nH]c2ccccc12,-7.212 +CHEMBL3982415,Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CC[NH+]3CCCC3)CC2)c1Br,-7.212 +CHEMBL469357,[NH3+]C[C@H](NC(=O)c1cc(-c2cccnc2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-7.206 +CHEMBL3903026,C[NH+](C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2/C=C/C2CC2)CC1,-7.203 +CHEMBL1823649,COc1cc2cnccc2cc1C(=O)N[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1,-7.203 +CHEMBL3915684,CCc1c(N)nc[nH+]c1N1CCC(c2[nH+]c(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CC[NH2+]CC2)CC1,-7.199 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+CHEMBL3924930,CCOc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(F)c(C)c3)cn2CCO)CC1,-6.717 +CHEMBL383541,[NH3+][C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,-6.717 +CHEMBL603197,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,-6.71 +CHEMBL3956468,Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CC[NH+]3CCCCC3)CC2)c1Br,-6.709 +CHEMBL415220,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCCN5CCOCC5)c4)c3)cc12,-6.707 +CHEMBL3967010,N#Cc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(F)c(Cl)c3)cn2CC[NH+]2CCCC2)CC1,-6.703 +CHEMBL3672082,Cc1cccc(-c2n[nH]c(C3C[NH+](Cc4ccc(-c5nc6nc(-c7ccccn7)nn6c(NC(C)C)c5-c5ccccc5)cc4)C3)n2)n1,-6.7 +CHEMBL3696234,CCOC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-6.699 +CHEMBL2177821,Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)Cc2ccccc2)cc1,-6.695 +CHEMBL3672527,NC(=O)c1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)c1,-6.695 +CHEMBL3978853,C[NH2+]CCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2[C@@H]2C=NOC2)CC1,-6.694 +CHEMBL607374,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5cc(F)ccc45)cnc3-c3ccoc3)cc12,-6.692 +CHEMBL3672069,CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)nc2nccn12,-6.69 +CHEMBL3929608,Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)[nH+]c1C1CCN(c2ncnc(N)c2-c2cncnc2)CC1,-6.69 +CHEMBL203275,[NH3+][C@H](COc1cncc(/C=C/c2cc[nH+]c(NC3CC3)c2)c1)Cc1c[nH]c2ccccc12,-6.685 +CHEMBL3934916,Cc1cc(-c2cn(CC[NH2+]C3CCCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1F,-6.682 +CHEMBL3112854,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(OC(F)(F)F)cccc21,-6.68 +CHEMBL3893943,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCOCC2)cn1,-6.674 +CHEMBL382914,CCNc1cc(/C=C/c2cncc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)c2)cc[nH+]1,-6.67 +CHEMBL229968,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)c3)cc12,-6.668 +CHEMBL3958964,Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)[nH+]c1C1CCN(c2ncnc(N)c2-c2cccnc2)CC1,-6.667 +CHEMBL3701749,[NH3+][C@]1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)C[C@](O)(C2CC2)C1,-6.664 +CHEMBL409880,Cc1c[nH]c2ncnc(Nc3ccccc3-c3nc[nH]n3)c12,-6.658 +CHEMBL3112862,C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-6.658 +CHEMBL3112867,C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-6.658 +CHEMBL3895789,Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CC[NH+]3CCCC3)CC2)c1F,-6.655 +CHEMBL4583911,Cn1ncc(Cl)c1-c1oc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)cc2)cc1Br,-6.655 +CHEMBL3696275,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cc(F)c(F)cc1F,-6.654 +CHEMBL3672035,Fc1ccc(-c2cn3ccnc3nc2-c2ccc(C[NH+]3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1,-6.65 +CHEMBL3805319,Cn1ncc(Cl)c1-c1c(Cl)c(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC[NH2+]CC2)n(C)c1Cl,-6.65 +CHEMBL1761085,CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C,-6.647 +CHEMBL3968742,N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C4CC4)c3)cn2CC[NH+]2CCC2)CC1,-6.646 +CHEMBL3981833,C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCO[C@@H](CF)C2)cc(=O)[nH]1,-6.642 +CHEMBL3703124,[NH3+]C1(c2ccc(-c3nc4ccc(-c5cn[nH]c5)cn4c3-c3ccccc3)cc2)CCC1,-6.64 +CHEMBL1079626,Cn1ncc2ccc(-c3cnc(NC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)s3)cc21,-6.639 +CHEMBL2151821,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)cc1,-6.638 +CHEMBL493250,CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCC[NH3+])c21,-6.638 +CHEMBL3672492,NC(=O)c1cccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nn23)c1,-6.638 +CHEMBL226577,COc1ccc(F)cc1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-6.637 +CHEMBL3696239,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cc(F)cc(F)c1,-6.629 +CHEMBL3976247,CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC[NH+](C)C)CC1,-6.624 +CHEMBL1081830,Nn1n[nH+]c2ccc(-c3cnc(NC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)s3)cc21,-6.623 +CHEMBL2151927,COc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,-6.622 +CHEMBL3935564,C[C@@H]1CN(c2cc(=O)[nH]c(CC(=O)Nc3ccc(F)cc3)n2)CCO1,-6.622 +CHEMBL3696270,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(OC(F)(F)F)c1,-6.62 +CHEMBL470200,[NH3+]C[C@H](NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-6.619 +CHEMBL523695,CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[C@@H]([NH3+])C3)c21,-6.617 +CHEMBL1081296,[NH3+][C@H](CNc1ncc(-c2ccc3cncnc3c2)s1)Cc1ccc(C(F)(F)F)cc1,-6.613 +CHEMBL3926246,COC(=O)c1ccc(-c2c(N)nc[nH+]c2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CC[NH+]3CCCC3)CC2)cc1,-6.612 +CHEMBL3944201,Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(F)c4)cn3CC[NH+]3CCCC3)CC2)c1Br,-6.612 +CHEMBL595459,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1cc2c(C)n[nH]c2cn1,-6.611 +CHEMBL3672036,Cc1cccc(-c2n[nH]c(C3C[NH+](Cc4ccc(-c5nc6nc(C)nn6cc5-c5ccc(F)cc5F)cc4)C3)n2)n1,-6.611 +CHEMBL3923786,C=C(C)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC[NH+]2CCCCC2)CC1,-6.608 +CHEMBL3703169,COc1cc(-c2cn[nH]c2)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-6.607 +CHEMBL3672017,FC(F)(F)c1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5nc6ccnn6cc5-c5ccccc5)cc4)CC3)nc2c1,-6.605 +CHEMBL3414677,CC(C)CCC[C@@]1(C)CCc2cc(O)cc(C(F)(F)F)c2O1,-6.605 +CHEMBL402199,Nc1ncnc2nc(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,-6.604 +CHEMBL376792,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c(F)cc(F)cc4Br)c3)cc12,-6.604 +CHEMBL3931504,C=Cc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(F)c(C(F)(F)F)c3)cn2CC[NH+]2CCC2)CC1,-6.601 +CHEMBL376570,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-6.601 +CHEMBL4574111,Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1,-6.601 +CHEMBL2151932,Cn1c(CC(=O)Nc2ccc(F)c(F)c2)nc(N2CCOCC2)cc1=O,-6.597 +CHEMBL3699811,C[C@H]1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,-6.595 +CHEMBL1823630,[NH3+][C@H](CNc1nnc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,-6.593 +CHEMBL3672542,[NH3+]C1(c2ccc(-c3nc4c5cc(-c6cn[nH]c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,-6.592 +CHEMBL3917496,C[C@@H]1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,-6.59 +CHEMBL276130,CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCC(N)=O)cc3)nc2n1,-6.59 +CHEMBL1082016,Cn1c(=O)[nH]c2ccc(-c3cnc(NC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)s3)cc21,-6.584 +CHEMBL3672068,Cc1cccc(-c2n[nH]c(C3C[NH+](Cc4ccc(-c5nc6nc(C)c(Br)n6cc5-c5ccccc5)cc4)C3)n2)n1,-6.583 +CHEMBL593573,CCNc1nc(-c2ccoc2)c(-c2cnc3[nH]nc(C)c3n2)cc1OC[C@@H]([NH3+])Cc1ccccc1,-6.581 +CHEMBL376118,Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(Cl)cc(Cl)c4)c3)cc12,-6.581 +CHEMBL3905309,Cc1cc(-c2cn(CC[NH+]3CCCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)[nH+]2)ccc1F,-6.58 +CHEMBL3699800,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(Br)c1O,-6.576 +CHEMBL3928308,C[C@@H]1CN(c2cc(=O)[nH]c(CC(=O)N3CCc4c(F)cccc43)n2)CCO1,-6.575 +CHEMBL227324,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(OC(F)(F)F)cc4)c3)cc12,-6.574 +CHEMBL1760768,Cc1cccc(C)c1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3[nH+]cnc(N)c3C3CC3)C2)C1,-6.573 +CHEMBL3112856,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3ccccn3)cccc21,-6.571 +CHEMBL3701727,[NH3+][C@]1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)C[C@](O)(C2CC2)C1,-6.565 +CHEMBL2016889,Cc1c(NCC[NH+]2CCCC2)cc(CCC(C)(C)C)cc1[NH+]1CCN(c2ncnc3[n-]nc(Br)c23)CC1,-6.561 +CHEMBL3639951,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(F)c1F,-6.56 +CHEMBL3112855,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3ccccc3)cccc21,-6.559 +CHEMBL379849,O=C1/C(=C/c2ccccc2F)CNC/C1=C\c1ccccc1F,-6.558 +CHEMBL3696289,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(C(F)F)c1,-6.557 +CHEMBL3696296,C#Cc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,-6.552 +CHEMBL1081105,[NH3+][C@H](CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,-6.547 +CHEMBL3931890,C[C@@H]1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,-6.545 +CHEMBL3701739,CCOc1cccc2c1-c1nc(-c3ccc([C@]4([NH3+])C[C@](C)(O)C4)cc3)c(-c3ccccc3)n1CO2,-6.544 +CHEMBL4544109,Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-6.54 +CHEMBL377603,CC(C)(Cc1ccc[nH]1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.538 +CHEMBL211690,CC(C)(Cc1cccnc1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.538 +CHEMBL3972162,Cc1cc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)[nH+]2)ccc1F,-6.537 +CHEMBL3672074,COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CC(c5nc(-c6cccc(C)n6)n[nH]5)C4)cc3)nc2c1CO,-6.533 +CHEMBL247797,CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnn2C)cn1,-6.532 +CHEMBL378843,[NH3+][C@H](COc1cnc(-c2ccco2)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,-6.531 +CHEMBL594755,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2ccccc2)cc1-c1cnc2[nH]nc(C)c2n1,-6.531 +CHEMBL575811,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](Cc2ccco2)C(=O)N3)c1)Cc1ccccc1,-6.53 +CHEMBL3672525,CS(=O)(=O)c1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)c1,-6.53 +CHEMBL3939239,Cc1cc(-c2cn(CC[NH+]3CCCC3)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)n2)ccc1F,-6.528 +CHEMBL3112860,CN1CC[NH+](Cc2cccc3c2CCN3C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)CC1,-6.527 +CHEMBL1081829,[NH3+][C@H](CNc1ncc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(C(F)(F)F)cc1,-6.524 +CHEMBL595709,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccoc3)cc12,-6.522 +CHEMBL3696298,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(F)cc(F)cc21,-6.522 +CHEMBL375486,Cn1cccc1-c1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-6.521 +CHEMBL3414680,CC(C)CCC[C@@]1(C)CCc2cc(O)cc(F)c2O1,-6.52 +CHEMBL2375963,COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCC(N)=O)CC3)c2=O)cc1F,-6.518 +CHEMBL3936990,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CC2C[NH+](C)C2)CC1,-6.517 +CHEMBL3923121,O=C(Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1)N1c2ccccc2C[C@H]1CO,-6.517 +CHEMBL229314,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(F)c4)c3)cc12,-6.516 +CHEMBL3966203,N#Cc1c(N)ncnc1N1CCC(c2[nH+]c(-c3cnc(F)c(Cl)c3)cn2CC[NH+]2CCC2)CC1,-6.515 +CHEMBL3696307,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2sccc12,-6.511 +CHEMBL2375953,Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2[C@H]1CC[C@H](OCC(N)=O)CC1,-6.509 +CHEMBL202937,Cn1cc([C@H](C[NH3+])c2cncc(/C=C/c3ccncc3)c2)c2ccccc21,-6.501 +CHEMBL3696249,Cc1cc(F)ccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-6.5 +CHEMBL181730,Fc1ccc2nc(C3CC[NH+](Cc4ccc(-c5ncc(-c6nnn[n-]6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1,-6.492 +CHEMBL2151925,Cc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,-6.491 +CHEMBL247250,CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,-6.488 +CHEMBL594310,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ncccc45)cnc3-c3ccoc3)cc12,-6.483 +CHEMBL207544,C#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,-6.483 +CHEMBL438431,CC(C)(Cc1ccc(Cl)cc1Cl)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.479 +CHEMBL252261,CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4nc(-c5ccccc5)n[nH]4)cc3)nc2n1,-6.474 +CHEMBL212098,Cc1n[nH]c2ccc(-c3cncc(OCCC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-6.473 +CHEMBL2012703,Cc1c(NCC[NH+](C)C)cc(Cl)cc1N1CCN(c2ncnc3[n-]nc(C(F)(F)F)c23)CC1,-6.471 +CHEMBL3672490,[NH3+]C1(c2ccc(-c3nn4c(-c5ccc(F)c(CO)c5)cnc4cc3-c3ccccc3)cc2)CCC1,-6.469 +CHEMBL3942559,NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)c3)cn2CC[NH+]2CCCC2)CC1,-6.465 +CHEMBL180231,O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4cc5cn[nH]c5cc4nc3-c3ccccc3)cc2)CC1,-6.464 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+CHEMBL4128457,C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4[nH+]c(-c5ccc(F)c(C(F)(F)F)c5)cn4CC[NH+]4CCCC4)CC3)c21,-6.346 +CHEMBL3414674,Cc1c(O)cc2c(c1C)O[C@@](C)(CCCC(C)C)CC2=O,-6.343 +CHEMBL3696311,Cn1c(CC(=O)N2CCc3c(O)cccc32)nc(N2CCOCC2)cc1=O,-6.343 +CHEMBL3684482,O=C(NCc1ccccc1Cl)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,-6.343 +CHEMBL258844,O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,-6.342 +CHEMBL3975500,CCO[C@@H]1CN(c2cc(N)ncn2)CC[C@H]1c1[nH+]c(-c2ccc(F)c(C)c2)cn1CC[N@@H+](CC)C(C)C,-6.341 +CHEMBL272292,O=C([O-])c1ccc2nc(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1,-6.339 +CHEMBL3973291,Nc1cc(N2CCC(c3[nH+]c(-c4ccc(F)c(F)c4)cn3CC[NH+]3CCCC3)CC2)ncn1,-6.338 +CHEMBL2151048,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(Br)c1,-6.338 +CHEMBL270815,Nc1[nH]c(=O)nc2nc(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,-6.333 +CHEMBL3984868,O=C(Cc1nc(N2CCO[C@@H](CF)C2)cc(=O)[nH]1)N1CCc2c(F)cccc21,-6.331 +CHEMBL3904291,CC(C)Oc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(F)c(Cl)c3)cn2CC[NH+]2CCCC2)CC1,-6.325 +CHEMBL573326,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.323 +CHEMBL210333,[NH3+][C@H](COc1cncc(-c2ccc3cnc(-c4ccco4)cc3c2)c1)Cc1c[nH]c2ccccc12,-6.321 +CHEMBL3701755,[NH3+][C@]1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3nccnc3-4)cc2)C[C@](O)(C2CC2)C1,-6.32 +CHEMBL3961321,Cc1cc(-c2cc(=O)[nH]c(CC(=O)N3CCc4c(F)cccc43)n2)ccn1,-6.32 +CHEMBL3937641,C[C@@H]1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,-6.32 +CHEMBL2151919,Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-6.318 +CHEMBL3696255,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(OC(F)F)c1,-6.314 +CHEMBL247619,CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)C(F)(F)O4)cnn2C)cn1,-6.313 +CHEMBL2177834,CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5ccccc5)cc4)c3n2)c1,-6.312 +CHEMBL3930015,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C(F)F)C3)cn2)cs1)C(F)(F)F,-6.309 +CHEMBL1095285,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H]([NH3+])Cc5cccc(C(F)(F)F)c5)c4)cc3c2cc1OC,-6.308 +CHEMBL1761084,CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C,-6.307 +CHEMBL3699793,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCCc2c(Cl)cccc21,-6.304 +CHEMBL210390,Nc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2cn1,-6.304 +CHEMBL378827,CC(C)(CC1CC1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.3 +CHEMBL3905243,C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,-6.299 +CHEMBL3943810,O=C(Cc1nc(N2CCO[C@H]3CCC[C@H]32)cc(=O)[nH]1)N1CCc2c(F)cccc21,-6.298 +CHEMBL1099298,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@H](CC[NH3+])c3ccccc3)cc21,-6.297 +CHEMBL3948660,Nc1nc[nH+]c(N2CCC(c3[nH+]c(-c4ccc(C(F)(F)F)c(F)c4)cn3CC[NH+]3CCC3)CC2)c1C1CCC1,-6.295 +CHEMBL381273,N#Cc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2cn1,-6.292 +CHEMBL271091,O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccc(-c5nnn[n-]5)cc4nc3-c3ccccc3)cc2)CC1,-6.287 +CHEMBL3921412,CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)cn2CC[NH+]2CCC2)CC1,-6.282 +CHEMBL2151934,COc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)ccc1F,-6.278 +CHEMBL252259,CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCCn4cc[nH+]c4)cc3)nc2n1,-6.277 +CHEMBL3954981,Cc1cc(-c2cn(CC[NH2+]CC(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)[nH+]2)ccc1F,-6.276 +CHEMBL253457,Nc1ncnc2nc(-c3ccc(C[NH+]4CCC(c5nc6cc(F)ccc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12,-6.273 +CHEMBL3972479,Cc1cc(-c2cn(CC[NH2+]CC3CC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,-6.272 +CHEMBL3943569,CCOc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(F)c(C)c3)cn2CC2C[NH2+]C2)CC1,-6.272 +CHEMBL3696301,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2ccc(F)cc21,-6.271 +CHEMBL2177837,Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1,-6.268 +CHEMBL3928144,CC(C)c1cc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)[nH+]2)ccn1,-6.265 +CHEMBL1079175,[NH3+]C1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,-6.265 +CHEMBL3965878,C[C@@H]1Cc2c(F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-6.264 +CHEMBL1099297,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@@H](CC[NH3+])c3ccccc3)cc21,-6.263 +CHEMBL604060,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccsc3)cc12,-6.26 +CHEMBL165,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,-6.258 +CHEMBL1098302,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H]([NH3+])Cc5cccc(C(F)(F)F)c5)c4)cc3c2cc1OC,-6.257 +CHEMBL3699792,Cn1c(CC(=O)Nc2cccc3sccc23)nc(N2CCOCC2)cc1=O,-6.256 +CHEMBL44,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,-6.255 +CHEMBL226745,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC5CC[NH2+]CC5)c4)c3)cc12,-6.251 +CHEMBL3901730,C[C@@H]1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,-6.251 +CHEMBL2151922,COc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-6.25 +CHEMBL4435265,CNc1cc(-c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccc(Cl)cc3)o2)ncn1,-6.246 +CHEMBL3891427,Nc1nc[nH+]c(N2CCC(c3nc(-c4ccc(C(F)(F)F)c(F)c4)cn3CC[NH+]3CCCCC3)CC2)c1C1CCC1,-6.244 +CHEMBL575824,[NH3+][C@H](COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,-6.242 +CHEMBL3968655,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(F)c4)cn3CC[NH+]3CCCC3)CC2)c1Br,-6.239 +CHEMBL577375,CC[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.234 +CHEMBL3112849,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(Cl)cccc21,-6.231 +CHEMBL4523032,Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-6.23 +CHEMBL4126067,C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4[nH+]c(C5CCOCC5)cn4CC[NH+]4CCCC4)CC3)c21,-6.227 +CHEMBL3890826,C[C@@H]1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,-6.226 +CHEMBL3649676,Nc1ccccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-6.223 +CHEMBL3699806,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCOc2c(Cl)cccc21,-6.222 +CHEMBL3672538,[NH3+]C1(c2ccc(-c3nc4c5cc(-c6cccc(CO)c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,-6.22 +CHEMBL3672034,Fc1ccc(-c2cn3ccnc3nc2-c2ccc(C[NH+]3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)cc1,-6.216 +CHEMBL3696292,Cn1c(CC(=O)Nc2cccc(C3CC3)c2)nc(N2CCOCC2)cc1=O,-6.215 +CHEMBL212157,Cc1n[nH]c2ccc(-c3cncc(OC[C@H]([NH3+])Cc4ccccc4)c3)cc12,-6.214 +CHEMBL3699775,Cc1cc(-c2cn[nH]c2)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-6.214 +CHEMBL3672038,Cc1cccc(-c2n[nH]c(C3C[NH+](Cc4ccc(-c5nc6nc(C)cn6cc5-c5ccccc5)cc4)C3)n2)n1,-6.213 +CHEMBL3701752,[NH3+][C@]1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)C[C@](O)(C2CC2)C1,-6.21 +CHEMBL2151820,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(F)c1,-6.209 +CHEMBL3918747,CC(C)(C)c1cc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)[nH+]2)ccn1,-6.206 +CHEMBL3920406,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(F)CC2)cn1,-6.205 +CHEMBL3649682,[NH3+]C1(c2ccc(-n3c(-c4cccc(Cl)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,-6.202 +CHEMBL4552655,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)oc1Cl,-6.199 +CHEMBL1097974,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CCC[NH3+])cc21,-6.191 +CHEMBL575646,[NH3+][C@H](COc1cncc(CCc2ccncc2)c1)Cc1c[nH]c2ccccc12,-6.187 +CHEMBL3696268,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(C2CC2)c1,-6.186 +CHEMBL3696303,Cn1c(CC(=O)Nc2cc(F)c(F)c(F)c2)nc(N2CCOCC2)cc1=O,-6.182 +CHEMBL226382,C=Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-6.18 +CHEMBL577379,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccccc2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.178 +CHEMBL210034,CC(C)(Cc1ccccc1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.175 +CHEMBL1258101,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cc[nH+]c3ccccc23)CC1,-6.173 +CHEMBL3672556,[NH3+]C1(c2ccc(-c3nc4c5cc(-c6cc[nH]n6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,-6.172 +CHEMBL3696309,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccccc1OCC[NH+]1CCCCC1,-6.171 +CHEMBL3688934,C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(N)c3)nc2n1,-6.17 +CHEMBL574262,C[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.169 +CHEMBL3930892,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(N3CCOCC3)cccc21,-6.167 +CHEMBL4591854,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(C(F)(F)F)cc2)oc1Cl,-6.164 +CHEMBL4536780,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(C(F)(F)F)cc2)oc1Cl,-6.164 +CHEMBL3893924,O=C(Cc1nc(N2CCO[C@@H](CO)C2)cc(=O)[nH]1)N1CCc2c(Cl)cccc21,-6.162 +CHEMBL3963056,Cc1cc(-c2cn(CC[N@H+](C)C(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)[nH+]2)ccc1F,-6.16 +CHEMBL3916147,C[C@@H]1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,-6.158 +CHEMBL3112847,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2cc(F)ccc21,-6.158 +CHEMBL3956312,Cn1c(CC(=O)N2CCc3c(F)cccc32)nc(N2CCOCC2)c(F)c1=O,-6.158 +CHEMBL377764,C=Cc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2cn1,-6.156 +CHEMBL247798,CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,-6.152 +CHEMBL3699789,Cn1c(CC(=O)N2CCc3cc(F)c(F)cc32)nc(N2CCOCC2)cc1=O,-6.151 +CHEMBL3699794,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(CO)cccc21,-6.151 +CHEMBL1095612,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc3c2cc1OC,-6.15 +CHEMBL3696261,CC(C)Oc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-6.148 +CHEMBL445180,CCn1c(-c2nonc2N)nc2c(-c3ccoc3)ncc(OCCC[NH3+])c21,-6.145 +CHEMBL2177835,Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,-6.145 +CHEMBL3649684,[NH3+]C1(c2ccc(-n3c(-c4ncccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,-6.143 +CHEMBL3899716,Cc1cc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4Br)CC3)[nH+]2)ccc1F,-6.14 +CHEMBL573394,[NH3+][C@H](COc1cncc(-c2ccc3nnccc3c2)c1)Cc1c[nH]c2ccccc12,-6.14 +CHEMBL4471578,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)oc1Cl,-6.139 +CHEMBL594517,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cc(F)ccc3O)cc12,-6.139 +CHEMBL3954144,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCOCC3)cn2)cs1)C(F)(F)F,-6.138 +CHEMBL2151921,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(Cl)c1,-6.135 +CHEMBL2035022,NC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-6.133 +CHEMBL3963748,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN3C(=O)OC[C@@H]3C2)cn1,-6.129 +CHEMBL3640741,CC(=O)NC1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1,-6.129 +CHEMBL3964814,C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)n1C,-6.124 +CHEMBL211224,c1ccc2c(C[C@@H](COc3cncc(-c4cc5cnccc5s4)c3)Nc3cc4cnccc4s3)c[nH]c2c1,-6.123 +CHEMBL3950856,C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(Br)c(=O)[nH]1,-6.12 +CHEMBL203624,[NH3+][C@H](CNc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,-6.119 +CHEMBL4468352,COc1ccc([O-])c(C(=O)c2ccc(C(=O)N[C@@H]3CCC[NH2+]C[C@H]3NC(=O)c3ccncc3)cc2)c1F,-6.118 +CHEMBL1202518,COc1ccc([O-])c(C(=O)c2ccc(C(=O)N[C@@H]3CCC[NH2+]C[C@H]3NC(=O)c3ccncc3)cc2)c1F,-6.118 +CHEMBL595685,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccc(O)cc3)cc12,-6.115 +CHEMBL205410,N#Cc1cccc(C[C@H]([NH3+])COc2cncc(/C=C/c3ccncc3)c2)c1,-6.113 +CHEMBL1098241,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(C[NH3+])cc21,-6.112 +CHEMBL1096291,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCC[NH3+])cc21,-6.112 +CHEMBL3927358,Cc1cc(-c2cn(CC[NH2+]C3CCCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)[nH+]2)ccc1F,-6.11 +CHEMBL3701750,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)C1,-6.11 +CHEMBL437122,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cnc2ccccc2c1,-6.106 +CHEMBL378714,CC#Cc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2cn1,-6.106 +CHEMBL3672509,NC(=O)/C=C/c1cnc2cc(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nn12,-6.105 +CHEMBL3696305,Cn1c(CC(=O)N2CCc3c(F)cccc32)nc(N2CCOCC2)cc1=O,-6.103 +CHEMBL3986247,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC(N3CCOCC3)C2)cn1,-6.098 +CHEMBL3703120,CC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-6.096 +CHEMBL576386,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2cccnc2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.096 +CHEMBL209281,O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)oc5c4)c3)Cc3c[nH]c4ccccc34)cc2o1,-6.086 +CHEMBL3696274,COc1c(F)ccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1F,-6.085 +CHEMBL210237,CC(C)(Cc1c[nH]c2ccccc12)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.085 +CHEMBL3696315,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccccc1OCc1cccnc1,-6.084 +CHEMBL3112866,C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-6.084 +CHEMBL261540,c1ccc(-c2cc3cccnc3nc2-c2ccc(C[NH+]3CCC(c4cc(-c5ccncc5)n[nH]4)CC3)cc2)cc1,-6.082 +CHEMBL3672012,c1ccc(-c2cn3ccnc3nc2-c2ccc(C[NH+]3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1,-6.079 +CHEMBL3696265,C#Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-6.078 +CHEMBL3696262,COc1cc(F)ccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-6.076 +CHEMBL3701764,Cc1cnc2c(c1)OCn1c-2nc(-c2ccc([C@]3([NH3+])C[C@](C)(O)C3)cc2)c1-c1ccccc1,-6.073 +CHEMBL3974610,C[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,-6.071 +CHEMBL3696241,CC(C)(C)c1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-6.071 +CHEMBL3896311,C[C@@H]1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,-6.071 +CHEMBL3649671,Nc1nccnc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-6.065 +CHEMBL1099296,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@H](C[NH3+])c3ccccc3)cc21,-6.064 +CHEMBL1095622,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H]([NH3+])Cc5ccc(F)cc5)c4)cc3c2cc1OC,-6.062 +CHEMBL3899097,Cc1cc(-c2cn(CC3C[NH2+]C3)c([C@H]3CC[C@H](c4ncnc(N)c4C(C)C)CC3)[nH+]2)ccc1F,-6.062 +CHEMBL3703155,[NH3+]C1(c2ccc(-c3nc4c(O)cccn4c3-c3ccccc3)cc2)CCC1,-6.062 +CHEMBL206924,CCc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2cn1,-6.061 +CHEMBL3972635,Cc1cc(-c2cn(CC[NH+]3CCCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,-6.059 +CHEMBL4524940,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](CC[NH+]3CCCCC3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-6.059 +CHEMBL573334,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccccn2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.059 +CHEMBL1095279,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H](C)[NH3+])c4)cc3c2cc1OC,-6.055 +CHEMBL368010,N#Cc1cnc(-c2ccc(C[NH+]3CCC(c4nc5ccc(F)cc5[nH]4)CC3)cc2)c(-c2ccccc2)c1,-6.054 +CHEMBL1097602,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H]([NH3+])Cc5ccccc5)c4)cc3c2cc1OC,-6.054 +CHEMBL2151935,Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)cc1=O,-6.053 +CHEMBL3672541,[NH3+]C1(c2ccc(-c3nc4c5cc(-c6ccc(F)c(CO)c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,-6.053 +CHEMBL2151933,Cn1c(CC(=O)Nc2ccc(F)c(Br)c2)nc(N2CCOCC2)cc1=O,-6.051 +CHEMBL3696312,COc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,-6.05 +CHEMBL3649670,Cn1cc(-c2nc3ccc(-c4ccccc4)nc3n2-c2ccc(C3([NH3+])CCC3)cc2)c(N)n1,-6.049 +CHEMBL211774,CC(C)(Cc1ccccn1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.047 +CHEMBL3701758,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(CO)cc3-4)cc2)C1,-6.047 +CHEMBL3696258,Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1F,-6.045 +CHEMBL3907714,Nc1cc(N2CCC(c3[nH+]c(-c4cccc(F)c4)cn3CC[NH+]3CCCC3)CC2)ncn1,-6.043 +CHEMBL3944470,Cn1c(CC(=O)N2CCc3c(F)cccc32)nc(N2CCOCC2)cc1=S,-6.042 +CHEMBL522996,C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1ccccc1C2=O,-6.042 +CHEMBL1097972,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H]([NH3+])Cc5ccc(Cl)c(Cl)c5)c4)cc3c2cc1OC,-6.041 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+CHEMBL4517319,NC(=O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,-5.714 +CHEMBL3672028,COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc12,-5.713 +CHEMBL1095931,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H]([NH3+])Cc5ccccc5Cl)c4)cc3c2cc1OC,-5.712 +CHEMBL3696299,Cn1c(CC(=O)Nc2ccc(F)c(I)c2)nc(N2CCOCC2)cc1=O,-5.71 +CHEMBL1761071,CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C,-5.71 +CHEMBL3904672,CC[N@H+](CCn1cc(-c2ccc(F)c(C)c2)[nH+]c1C1CCN(c2ncnc(N)c2OC(C)C)CC1)C(C)C,-5.707 +CHEMBL378116,Cc1c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1,-5.701 +CHEMBL1823643,O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnccc2c1,-5.7 +CHEMBL270847,O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncc(-c4nnn[n-]4)cc3-c3ccccc3)cc2)CC1,-5.7 +CHEMBL3905622,N#Cc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccccc3F)cn2CC[NH+]2CCC2)CC1,-5.699 +CHEMBL1632370,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2CS(=O)(=O)C3)CC1,-5.699 +CHEMBL3942235,C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,-5.698 +CHEMBL3986943,CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CC[NH+](CC)CC)CC1,-5.695 +CHEMBL3112861,Cn1c(CC(=O)N2CCc3ccccc32)nc(N2CCOCC2)cc1=O,-5.692 +CHEMBL3893935,C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,-5.691 +CHEMBL493251,CCn1c(-c2nonc2N)nc2c(-c3ccc[nH]3)ncc(OCCC[NH3+])c21,-5.689 +CHEMBL474391,CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(OC)cccc1C2=O,-5.687 +CHEMBL1096271,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H]([NH3+])Cc5cccc(Cl)c5)c4)cc3c2cc1OC,-5.686 +CHEMBL206183,[NH3+][C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1csc2ccccc12,-5.682 +CHEMBL4589576,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](CC(=O)NC3CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-5.681 +CHEMBL3703147,CC(=O)Nc1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-5.68 +CHEMBL3701723,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccncc3)COc3cccc(F)c3-4)cc2)C1,-5.676 +CHEMBL3916280,C[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,-5.672 +CHEMBL3672532,[NH3+]C1(c2ccc(-c3nc4c5cc(-c6ccc(F)cc6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,-5.671 +CHEMBL3701754,[NH3+]C1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)CCC1,-5.67 +CHEMBL3701732,COc1cccc2c1-c1nc(-c3ccc([C@]4([NH3+])C[C@](O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2,-5.67 +CHEMBL403356,CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nnc(N)s5)CC4)cc3)nc2n1,-5.668 +CHEMBL3649672,[NH3+]C1(c2ccc(-n3c(-c4cccnc4)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,-5.667 +CHEMBL3672014,Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1,-5.665 +CHEMBL228654,C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1ccc[nH]1,-5.664 +CHEMBL426140,Cc1ccc(CC(C)(C)[C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)o1,-5.663 +CHEMBL1823644,O=C(N[C@H](c1cnc(Cl)c(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnccc2c1,-5.659 +CHEMBL3907424,C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)[nH]1,-5.658 +CHEMBL3701742,[NH3+][C@]1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)C[C@](O)(C2CC2)C1,-5.653 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+CHEMBL3701778,C[C@]1(O)C[C@](O)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(=O)[O-])ccc3-4)cc2)C1,-5.629 +CHEMBL2375958,COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCC(N)=O)CC3)c2=O)cn1,-5.628 +CHEMBL3414675,Cc1cc(O)cc2c1O[C@@](C)(CCCC(C)C)CC2=O,-5.625 +CHEMBL3672073,COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)nc2c1CO,-5.625 +CHEMBL4441416,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](CCNS(C)(=O)=O)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-5.623 +CHEMBL1823638,N#Cc1cc([C@H](NC(=O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)ccc1Cl,-5.617 +CHEMBL2035029,[NH3+]C1(c2ccc(-c3ncc4cnccc4c3-c3ccccc3)cc2)CCC1,-5.615 +CHEMBL3696283,CCn1c(CC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)cc1=O,-5.614 +CHEMBL3693591,C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4c(c3)C(=O)NCCN4)nc2n1,-5.612 +CHEMBL3930747,Cn1c(CC(=O)N2CCc3c(CN4CC[NH+](C)CC4)cccc32)nc(N2CCOCC2)cc1=O,-5.611 +CHEMBL3649675,[NH3+]C1(c2ccc(-n3c(-c4cccnc4F)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,-5.61 +CHEMBL3701756,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3nccnc3-4)cc2)C1,-5.609 +CHEMBL3701775,CCONC(=O)c1ccc2c(c1)-c1nc(-c3ccc([C@]4([NH3+])C[C@](C)(O)C4)cc3)c(-c3ccccc3)n1CO2,-5.607 +CHEMBL3703108,[NH3+]C1(c2ccc(-c3nc4cc(-c5ncc[nH]5)ccn4c3-c3ccccc3)cc2)CCC1,-5.605 +CHEMBL444136,O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6cnccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cc12,-5.601 +CHEMBL1760774,Cc1ccc(S(=O)(=O)NC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCN(c4[nH+]cnc(N)c4C4CC4)C3)C2)c(C)c1,-5.6 +CHEMBL182101,Cn1nnnc1-c1cnc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)c1,-5.6 +CHEMBL3672013,N#Cc1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5nc6ccnn6cc5-c5ccccc5)cc4)CC3)nc2c1,-5.6 +CHEMBL3941855,CCc1c(N)ncnc1N1CCC(c2nc(-c3cncc(C)c3)cn2CC[NH+]2CCC2)CC1,-5.598 +CHEMBL1095624,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CC[NH3+])cc21,-5.594 +CHEMBL3699790,Cn1c(CC(=O)N2CCc3c2ccc(F)c3F)nc(N2CCOCC2)cc1=O,-5.592 +CHEMBL3672042,CCc1cnn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5nc(-c6cccc(C)n6)n[nH]5)C4)cc3)nc12,-5.59 +CHEMBL403354,CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4cccnc4)cc3)nc2n1,-5.589 +CHEMBL593375,Cc1occc1-c1[nH+]c(N)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2c1,-5.587 +CHEMBL3703156,NC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-5.584 +CHEMBL1773558,COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)ccn2)cc1,-5.579 +CHEMBL270388,N#Cc1cc(-c2ccccc2)c(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)nc1Cl,-5.575 +CHEMBL3701745,CC[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)C1,-5.569 +CHEMBL3696284,CC(C)(C)OC(=O)n1ccc2c(NC(=O)Cc3nc(N4CCOCC4)cc(=O)[nH]3)cccc21,-5.569 +CHEMBL3952768,C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(Cl)c(=O)[nH]1,-5.567 +CHEMBL3696310,COCCOc1ccccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-5.565 +CHEMBL3970476,C[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-5.563 +CHEMBL3672520,[NH3+]C1(c2ccc(-c3nc4c5ccc(-c6ccc(F)cc6)cc5nn4cc3-c3ccccc3)cc2)CCC1,-5.563 +CHEMBL3672499,COc1cncc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nn23)c1,-5.562 +CHEMBL3672071,CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)nc2nc(C)cn12,-5.559 +CHEMBL3414669,Cc1c(O)cc2c(c1C)O[C@](C)(CCCC(C)C)CC2,-5.558 +CHEMBL3701763,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(-c5cn[nH]c5)cc3-4)cc2)C1,-5.558 +CHEMBL4475923,CNC(=O)C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-5.557 +CHEMBL3703119,[NH3+]C1(c2ccc(-c3nc4cc(C(=O)NO)ccn4c3-c3ccccc3)cc2)CCC1,-5.555 +CHEMBL3112852,COc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-5.551 +CHEMBL3699683,N#Cc1cccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-5.551 +CHEMBL209513,C=Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,-5.55 +CHEMBL2177832,Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,-5.549 +CHEMBL4558319,Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(C[NH3+])cc1,-5.545 +CHEMBL2177833,Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1,-5.534 +CHEMBL1098316,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(C[NH2+]C)cc21,-5.533 +CHEMBL4513257,Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C[NH3+])cc1,-5.528 +CHEMBL3701762,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(-c5cc[nH]n5)cc3-4)cc2)C1,-5.528 +CHEMBL3684420,O=C(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1,-5.527 +CHEMBL574290,Cn1cc([C@H](C[NH3+])Oc2cncc(/C=C/c3ccncc3)c2)c2ccccc21,-5.526 +CHEMBL3701722,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccsc3)COc3cccc(F)c3-4)cc2)C1,-5.525 +CHEMBL3649686,CN(C)C(=O)c1cccc(-c2ccc3nc(-c4ccccc4)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1,-5.525 +CHEMBL3701720,[NH3+][C@]1(c2ccc(-c3nc4n(c3-c3ccsc3)COc3cccc(F)c3-4)cc2)C[C@](O)(C2CC2)C1,-5.523 +CHEMBL3917877,C[C@@H]1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,-5.519 +CHEMBL583705,Cn1cccc1[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-5.519 +CHEMBL3701719,[NH3+]C1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)CCC1,-5.512 +CHEMBL3684374,CS(=O)(=O)OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-5.512 +CHEMBL3701747,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)C1,-5.511 +CHEMBL444165,CCC[C@H]1O[C@H](CC(=O)[O-])CC2=C1C(=O)c1c(O)cccc1C2=O,-5.51 +CHEMBL522351,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCC[NH2+]C[C@H](O)CO)c21,-5.509 +CHEMBL3672497,[NH3+]C1(c2ccc(-c3nn4c(-c5ccc6cn[nH]c6c5)cnc4cc3-c3ccccc3)cc2)CCC1,-5.508 +CHEMBL1761088,CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCc3cc(C(N)=O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C,-5.507 +CHEMBL3672534,COC(=O)c1cccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6([NH3+])CCC6)cc5)nc4c3c2)c1,-5.506 +CHEMBL3974788,C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,-5.504 +CHEMBL595476,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccccc3O)cc12,-5.502 +CHEMBL3672480,N#Cc1cccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nn23)c1,-5.5 +CHEMBL3703128,[NH3+]C1(c2ccc(-c3nc4ccc(-c5ccncc5)cn4c3-c3ccccc3)cc2)CCC1,-5.499 +CHEMBL3701726,[NH3+][C@]1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3c(F)cccc3-4)cc2)C[C@](O)(C2CC2)C1,-5.499 +CHEMBL3699694,[NH3+]C1(c2ccc(-c3nc4c(CO)cccn4c3-c3ccccc3)cc2)CCC1,-5.494 +CHEMBL2375957,COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCC(N)=O)CC3)c2=O)cc1F,-5.493 +CHEMBL3703113,[NH3+]C1(c2ccc(-c3nc4cc(C(=O)[O-])ccn4c3-c3ccccc3)cc2)CCC1,-5.491 +CHEMBL1096634,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H]([NH3+])c3ccccc3)cc21,-5.488 +CHEMBL3908806,CCC[N@@H+]1CCCC[C@H]1c1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-5.488 +CHEMBL388311,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,-5.487 +CHEMBL2021429,CNS(=O)(=O)c1ccc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c2c1,-5.486 +CHEMBL3896158,C[C@@H]1Cc2ccc(F)cc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-5.486 +CHEMBL429703,c1ccc(-c2cc(C3CC[NH+](Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)[nH]n2)cc1,-5.485 +CHEMBL3892087,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)cc4)cn3CC[NH+]3CCCC3)CC2)c1C1CCC1,-5.483 +CHEMBL3912632,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(F)cc4)cn3CC[NH+]3CCCC3)CC2)c1Cl,-5.479 +CHEMBL3672090,COC(=O)c1cn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5nc(-c6cccc(C)n6)n[nH]5)C4)cc3)nc2n1,-5.468 +CHEMBL3672493,[NH3+]C1(c2ccc(-c3nn4c(-c5cn[nH]c5)cnc4cc3-c3ccccc3)cc2)CCC1,-5.468 +CHEMBL3701766,CNC(=O)c1ccc2c(c1)-c1nc(-c3ccc([C@]4([NH3+])C[C@](C)(O)C4)cc3)c(-c3ccccc3)n1CO2,-5.466 +CHEMBL2177847,Nc1ncccc1-c1nc2cccnc2n1-c1ccc(C[NH3+])cc1,-5.46 +CHEMBL3701743,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)C1,-5.459 +CHEMBL3975211,N#CC1CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,-5.456 +CHEMBL3672066,Brc1cnc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn12,-5.454 +CHEMBL3684483,O=C(Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,-5.454 +CHEMBL3699766,Cc1cc(-c2cn[nH]c2)c2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-5.453 +CHEMBL2035028,[NH3+]C1(c2ccc(-c3ncc4ncccc4c3-c3ccccc3)cc2)CCC1,-5.444 +CHEMBL1098943,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCC[NH2+]C)cc21,-5.442 +CHEMBL4565210,Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(C[NH3+])cc1,-5.441 +CHEMBL572908,CCc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,-5.439 +CHEMBL4531735,CC(=O)OCC[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-5.437 +CHEMBL3672552,[NH3+]C1(c2ccc(-c3nc4c5cccc(O)c5nn4cc3-c3ccccc3)cc2)CCC1,-5.432 +CHEMBL1094320,CC[C@@H]([NH3+])COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1,-5.428 +CHEMBL2347053,O=C1Nc2ccccc2/C1=C/c1c[nH]nc1-c1ccccc1[N+](=O)[O-],-5.42 +CHEMBL3672067,Cc1cn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)nc2n1,-5.419 +CHEMBL3972428,CC[C@@H]1CN(c2cc(=O)[nH]c(CC(=O)Nc3ccc(F)cc3)n2)CCO1,-5.418 +CHEMBL255212,N#Cc1cnc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)c1,-5.417 +CHEMBL3701759,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(CO)ccc3-4)cc2)C1,-5.417 +CHEMBL3982597,C[C@@H]1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,-5.417 +CHEMBL3679630,C=C(N)[n+]1c(N)ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)cc21,-5.416 +CHEMBL252455,CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4nnc(N)s4)cc3)nc2n1,-5.416 +CHEMBL4164809,COC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccccc1F,-5.416 +CHEMBL3672518,N#Cc1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)c1,-5.412 +CHEMBL3932688,NC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2cn1,-5.408 +CHEMBL3672554,[NH3+]C1(c2ccc(-c3nc4c5ccc(-c6ccn[nH]6)cc5nn4cc3-c3ccccc3)cc2)CCC1,-5.408 +CHEMBL3929547,C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)n1C,-5.405 +CHEMBL3672024,Cc1nc2nc(-c3ccc(C[N@H+]4CC[C@@H](c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1,-5.404 +CHEMBL3699703,[NH3+]C1(c2ccc(-c3nc4ccc(CO)cn4c3-c3ccccc3)cc2)CCC1,-5.394 +CHEMBL3684405,O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1,-5.394 +CHEMBL443633,C[NH+]1CCN(c2nccc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc23)CC1,-5.393 +CHEMBL1096290,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(C[NH+]3CCCC3)cc21,-5.39 +CHEMBL3931748,COc1nc(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-5.385 +CHEMBL593813,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(Cl)[nH]c3ccccc23)cc1-c1cnc2n[nH]c(C)c2n1,-5.385 +CHEMBL3640732,Nc1ncccc1-c1nc2ccc(-c3cccc(NC(=O)C4CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-5.382 +CHEMBL449200,[O-][n+]1ccc(-c2nc(C3CC[NH+](Cc4ccc(-c5nc6nc(N7CC[NH+](CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)n[nH]2)cc1,-5.381 +CHEMBL3672537,N#Cc1ccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6([NH3+])CCC6)cc5)nc4c3c2)cc1,-5.381 +CHEMBL252056,CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4nccs4)cc3)nc2n1,-5.377 +CHEMBL3699786,C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,-5.37 +CHEMBL3672029,COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12,-5.368 +CHEMBL3684346,O=C(Cc1cccc2ccccc12)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-5.36 +CHEMBL2375962,Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2[C@H]1CC[C@@H](OCC(N)=O)CC1,-5.354 +CHEMBL606467,Cc1[nH]nc2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c(C#N)nc3-c3ccoc3)nc12,-5.353 +CHEMBL3640737,C[C@@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1,-5.346 +CHEMBL1096292,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCC[NH3+])cc21,-5.345 +CHEMBL3701733,COc1ccc2c(c1)-c1nc(-c3ccc([C@]4([NH3+])C[C@](O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2,-5.345 +CHEMBL3672545,[NH3+]C1(c2ccc(-c3nc4c5cccc(Br)c5nn4cc3-c3ccccc3)cc2)CCC1,-5.344 +CHEMBL3701731,[NH3+]C1(c2ccc(-c3nc4n(c3-c3ccncc3)COc3ccccc3-4)cc2)CCC1,-5.336 +CHEMBL2177817,Nc1ncccc1-c1nc2cccnc2n1-c1ccc(NC(=O)c2ccccc2)cc1,-5.335 +CHEMBL1940249,CC(C)n1cc(C(=O)c2cncc(N[C@@H]3C[NH2+]C[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,-5.335 +CHEMBL4553900,CC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,-5.331 +CHEMBL1823639,O=C(N[C@H](c1cccc(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnccc2c1,-5.33 +CHEMBL3701724,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(F)cc3-4)cc2)C1,-5.329 +CHEMBL3936162,Cn1c(CC(=O)N2CC3(CCOCC3)c3ccccc32)nc(N2CCOCC2)cc1=O,-5.329 +CHEMBL3672080,CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(-c3ccccn3)nn12,-5.328 +CHEMBL3701741,Cc1ccc2c(c1)OCn1c-2nc(-c2ccc([C@]3([NH3+])C[C@](O)(C4CC4)C3)cc2)c1-c1ccccc1,-5.328 +CHEMBL3414683,CC(C)CCC[C@@]1(C)CCc2ccc(O)c(O)c2O1,-5.327 +CHEMBL1773600,COc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,-5.325 +CHEMBL525077,CCC[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1ccccc1C2=O,-5.324 +CHEMBL3701729,[NH3+]C1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)CCC1,-5.322 +CHEMBL2177818,Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,-5.321 +CHEMBL3684369,O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,-5.32 +CHEMBL3701744,[NH3+]C1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)CCC1,-5.316 +CHEMBL3112592,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2cc(Cl)ccc21,-5.308 +CHEMBL3699782,C[C@@H]1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)c2ccccc21,-5.307 +CHEMBL594748,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cccs3)cc12,-5.307 +CHEMBL3701735,COc1ccc2c(c1)-c1nc(-c3ccc([C@]4([NH3+])C[C@](C)(O)C4)cc3)c(-c3ccccc3)n1CO2,-5.304 +CHEMBL3913066,C[C@@H]1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,-5.3 +CHEMBL3699723,[NH3+]C1(c2ccc(-c3nc4c(C5CC5)cccn4c3-c3ccccc3)cc2)CCC1,-5.299 +CHEMBL377687,O=C1Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(=O)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc2C1=O,-5.295 +CHEMBL3672510,C=Cc1cnc2cc(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nn12,-5.294 +CHEMBL3699748,[NH3+]C1(c2ccc(-c3nc4c(-c5ccc6cn[nH]c6c5)cccn4c3-c3ccccc3)cc2)CCC1,-5.294 +CHEMBL3703109,[NH3+]C1(c2ccc(-c3nc4cc(-c5c[nH]cn5)ccn4c3-c3ccccc3)cc2)CCC1,-5.293 +CHEMBL3672533,Cc1ccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6([NH3+])CCC6)cc5)nc4c3c2)cc1,-5.286 +CHEMBL3672079,CC(C)Nc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)nc2nccn12,-5.285 +CHEMBL3679632,C[C@]1(O)C[C@@]([NH3+])(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C1,-5.284 +CHEMBL252055,CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4ncn[nH]4)cc3)nc2n1,-5.281 +CHEMBL3703111,[NH3+]C1(c2ccc(-c3nc4cc(-c5nnn[n-]5)ccn4c3-c3ccccc3)cc2)CCC1,-5.278 +CHEMBL3684389,C[N@@H+](CCc1ccccc1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-5.275 +CHEMBL3699727,[NH3+]C1(c2ccc(-c3nc4ccc(C(=O)[O-])cn4c3-c3ccccc3)cc2)CCC1,-5.272 +CHEMBL3703141,Cn1cc(-c2ccn3c(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc3c2)cn1,-5.268 +CHEMBL3703161,COC(=O)COc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-5.264 +CHEMBL2375968,COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCO)CC3)c2=O)cc1F,-5.264 +CHEMBL3667044,Clc1cnc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn12,-5.262 +CHEMBL3701738,CCOc1cccc2c1-c1nc(-c3ccc([C@]4([NH3+])C[C@](O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2,-5.261 +CHEMBL3703154,[NH3+]C1(c2ccc(-c3nc4ccc(O)cn4c3-c3ccccc3)cc2)CCC1,-5.258 +CHEMBL592898,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3C#CCCO)cc12,-5.256 +CHEMBL3898401,C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)[nH]1,-5.255 +CHEMBL4526693,COC(=O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,-5.255 +CHEMBL3672043,CNc1nc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1,-5.248 +CHEMBL3917308,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3c[nH+]c(C4CC4)c3)c(N3CCC(C#N)CC3)cn2)cs1)C(F)(F)F,-5.246 +CHEMBL376959,O=Nc1c([O-])[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c([O-])c(N=O)c5c4)c3)Cc3c[nH]c4ccccc34)cc12,-5.243 +CHEMBL3684526,[NH3+]C1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCCCC1,-5.242 +CHEMBL3684421,O=C(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,-5.24 +CHEMBL244695,O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2,-5.24 +CHEMBL408151,O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4cc(-c5nnn[n-]5)ccc4nc3-c3ccccc3)cc2)CC1,-5.236 +CHEMBL1761077,CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1Cl,-5.236 +CHEMBL3672487,[NH3+]C1(c2ccc(-c3nn4c(-c5ccc(CO)cc5)cnc4cc3-c3ccccc3)cc2)CCC1,-5.235 +CHEMBL3649665,COC(=O)c1ccccc1-c1nc2ccc(-c3cccc(N4CCOCC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-5.235 +CHEMBL3679636,[NH3+][C@]1(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C[C@](O)(C2CC2)C1,-5.233 +CHEMBL3699697,NC(=O)c1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-5.232 +CHEMBL2177822,CC(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,-5.224 +CHEMBL494662,CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CC[NH2+]CC3)c21,-5.222 +CHEMBL2375965,Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2[C@H]1CC[C@H](OCO)CC1,-5.222 +CHEMBL3981502,C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(Cl)c(=O)[nH]1,-5.221 +CHEMBL3699770,NC(=O)c1cc(-c2cn[nH]c2)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-5.221 +CHEMBL2375955,Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2[C@H]1CC[C@H](OCC(N)=O)CC1,-5.22 +CHEMBL494882,CCn1c(-c2nonc2N)nc2c(C#CC3CC3)ncc(OCCC[NH3+])c21,-5.213 +CHEMBL3943531,O=C(Cc1nc(N2CCOCC2)cc(=O)n1-c1ccccc1)N1CCc2ccccc21,-5.213 +CHEMBL3703142,Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)[nH+]c2c1,-5.211 +CHEMBL3672559,NC(=O)/C=C/c1ccc2nn3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc3c2c1,-5.21 +CHEMBL2177824,Nc1ncccc1-c1nc2cccnc2n1-c1ccc(C[NH2+]Cc2ccccc2)cc1,-5.208 +CHEMBL3699768,NC(=O)c1cc(Br)c2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-5.2 +CHEMBL595708,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccco3)cc12,-5.194 +CHEMBL3640746,C[C@@H]1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)C[C@H](C)O1,-5.191 +CHEMBL3672496,[NH3+]C1(c2ccc(-c3nn4c(-c5ccn[nH]5)cnc4cc3-c3ccccc3)cc2)CCC1,-5.191 +CHEMBL3684497,c1ccc(OC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,-5.19 +CHEMBL1760764,CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1)S(=O)(=O)c1c(C)cccc1C,-5.189 +CHEMBL4470606,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](C[C@H](O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-5.187 +CHEMBL3672481,CS(=O)(=O)c1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nn23)cc1,-5.186 +CHEMBL3672091,COC(=O)c1cn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)nc2n1,-5.186 +CHEMBL3897578,Cn1c(CC(=O)N2CC(C)(C)c3c(Cl)cccc32)nc(N2CCOCC2)cc1=O,-5.185 +CHEMBL3703146,Nc1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-5.184 +CHEMBL3908482,C[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,-5.184 +CHEMBL3672084,CSc1nc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1,-5.181 +CHEMBL3701730,[NH3+]C1(c2ccc(-c3nc4n(c3-c3ccsc3)COc3ccccc3-4)cc2)CCC1,-5.18 +CHEMBL3974771,N#Cn1c(CC(=O)N2CCc3ccccc32)nc(N2CCOCC2)cc1=O,-5.175 +CHEMBL1095294,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H]([NH3+])Cc5ccccc5)c4)cc3c2cc1OC,-5.173 +CHEMBL3701734,COc1ccc2c(c1)OCn1c-2nc(-c2ccc([C@]3([NH3+])C[C@](O)(C4CC4)C3)cc2)c1-c1ccccc1,-5.17 +CHEMBL493066,CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[NH2+]CC3)c21,-5.17 +CHEMBL4062453,C[NH+](C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5cccc(F)c5)c4)cnc3c2)cn1,-5.17 +CHEMBL3684423,O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc(F)c1,-5.165 +CHEMBL3640736,C[C@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1,-5.158 +CHEMBL2375961,COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCC(N)=O)CC3)c2=O)cn1,-5.157 +CHEMBL3699744,[NH3+]C1(c2ccc(-c3nc4c(-c5ccc(F)cc5)cccn4c3-c3ccccc3)cc2)CCC1,-5.155 +CHEMBL593374,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2[nH]nc(C)c2c1,-5.155 +CHEMBL2177827,CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CC(=O)Nc5ccccc5)cc4)c3n2)c1,-5.153 +CHEMBL3699667,[NH3+]C1(c2ccc(-c3nc4nc(-c5ccccc5)ccn4c3-c3ccccc3)cc2)CCC1,-5.15 +CHEMBL3701748,[NH3+]C1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)CCC1,-5.15 +CHEMBL3701777,C[C@]1(O)C[C@](O)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(=O)[O-])cc3-4)cc2)C1,-5.148 +CHEMBL4129817,C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CC[NH+]4CCCC4)CC3)c21,-5.147 +CHEMBL3699730,[NH3+]C1(c2ccc(-c3nc4ccc(C(=O)NCCF)cn4c3-c3ccccc3)cc2)CCC1,-5.143 +CHEMBL3939903,C[C@@H]1Cc2c(OC(F)F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,-5.138 +CHEMBL4545250,Nc1ncccc1-c1nc2ccc(Cl)nc2n1-c1ccc(C[NH3+])cc1,-5.138 +CHEMBL260670,c1ccc(-c2cc3cccnc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1,-5.138 +CHEMBL3640747,Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCS(=O)(=O)CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-5.136 +CHEMBL3672011,N#Cc1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nccn6cc5-c5ccccc5)cc4)CC3)nc2c1,-5.136 +CHEMBL3696306,Cn1c(CC(=O)N2CCc3c(Cl)cccc32)nc(N2CCOCC2)cc1=O,-5.134 +CHEMBL3679720,Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-5.134 +CHEMBL3699779,Cc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,-5.134 +CHEMBL3649681,[NH3+]C1(c2ccc(-n3c(-c4cccc(F)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,-5.13 +CHEMBL3703157,NC(=O)c1cc(Cl)c2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-5.128 +CHEMBL3902880,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(CC(F)(F)F)CC3)cn2)cs1)C(F)(F)F,-5.121 +CHEMBL3684409,O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,-5.12 +CHEMBL453510,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC[NH3+])c21,-5.116 +CHEMBL3699735,[NH3+]C1(c2ccc(-c3nc4ccc(C(=O)NO)cn4c3-c3ccccc3)cc2)CCC1,-5.111 +CHEMBL1098939,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@@H]([NH3+])Cc3ccccc3)cc21,-5.11 +CHEMBL3893968,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(C#N)C3)cn2)cs1)C(F)(F)F,-5.106 +CHEMBL300138,Cn1cc(C2=C(c3cn(C4CC[NH+](Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,-5.106 +CHEMBL523057,CCn1c(-c2nonc2N)nc2c(-c3cc[nH]c3)ncc(OCCC[NH3+])c21,-5.105 +CHEMBL3639832,Cc1cc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)no1,-5.104 +CHEMBL2063990,COc1cc(C=C(C(=O)/C=C/c2cccc(OC)c2OC)C(=O)/C=C/c2cccc(OC)c2OC)ccc1O,-5.103 +CHEMBL3672555,Cc1cc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)[nH]n1,-5.095 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+CHEMBL3703131,[NH3+]C1(c2ccc(-c3nc4ccc(Cl)cn4c3-c3ccccc3)cc2)CCC1,-5.032 +CHEMBL207217,c1ccc2c(C[C@@H](COc3cncc(-c4ccc5nonc5c4)c3)Nc3ccc4nonc4c3)c[nH]c2c1,-5.032 +CHEMBL3703152,[NH3+][C@]1(c2ccc(-c3nc4[n-]c(=O)ccn4c3-c3ccccc3)cc2)C[C@H](O)C1,-5.03 +CHEMBL3672026,Cc1cccc(-c2nc(C3C[NH+](Cc4ccc(-c5nc6ncc(C)n6cc5-c5ccccc5)cc4)C3)n[nH]2)n1,-5.028 +CHEMBL1761090,CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCc3c(ccc4[nH]ncc34)O2)C1)S(=O)(=O)c1c(C)cccc1C,-5.026 +CHEMBL3699781,Cn1c(CC(=O)N2CCc3c(Br)cccc32)nc(N2CCOCC2)cc1=O,-5.025 +CHEMBL493067,CCn1c(-c2nonc2N)nc2cncc(C(=O)N[C@@H]3CCC[NH2+]C3)c21,-5.023 +CHEMBL3699721,[NH3+]C1(c2ccc(-c3nc4c(Cl)cccn4c3-c3ccccc3)cc2)CCC1,-5.021 +CHEMBL3703114,CNC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-5.021 +CHEMBL3649688,[NH3+]C1(c2ccc(-n3c(-c4ccccc4)nc4ccc(Nc5ccccc5)nc43)cc2)CCC1,-5.02 +CHEMBL521642,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]3CCC[NH2+]C3)c21,-5.019 +CHEMBL259967,c1ccc(-c2cc3cnccc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1,-5.016 +CHEMBL3701760,C[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C#N)ccc3-4)cc2)C1,-5.015 +CHEMBL3672495,COC(=O)c1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nn23)cn1,-5.014 +CHEMBL3922577,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2C[C@H]3C[C@H]3C2)cn1,-5.013 +CHEMBL3962884,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(F)CC3)cn2)cs1)C(F)(F)F,-5.012 +CHEMBL3900870,C[C@@H]1Cc2c(ccc(F)c2F)N1C(=S)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1,-5.011 +CHEMBL605732,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccccc3)cc12,-5.009 +CHEMBL2035021,[NH3+]C1(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)CCC1,-5.003 +CHEMBL4440965,CNC(=O)C[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-5.003 +CHEMBL260397,O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1,-5 +CHEMBL3699732,COCCNC(=O)c1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.999 +CHEMBL3649668,[NH3+]C1(c2ccc(-n3c(C4CC4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,-4.999 +CHEMBL3684484,O=C(Nc1ccc2c(c1)CCO2)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,-4.997 +CHEMBL3927896,Cn1c(CC(=O)N2CCc3c2cccc3C(F)(F)F)nc(N2CCOCC2)cc1=O,-4.996 +CHEMBL1094321,COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H]([NH3+])CC(C)C)c4)cc3c2cc1OC,-4.986 +CHEMBL3703143,CC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.984 +CHEMBL4586184,CC(=O)Nc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C[NH3+])cc4)c3n2)cc1,-4.981 +CHEMBL3699686,N#Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.981 +CHEMBL3672045,Cc1nc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)c(C)n2n1,-4.976 +CHEMBL3699736,COC(=O)c1cc(Cl)c2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.974 +CHEMBL3701773,CCONC(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc([C@]3([NH3+])C[C@](C)(O)C3)cc2)c1-c1ccccc1,-4.972 +CHEMBL1823641,O=C(N[C@H](c1ccc(Cl)c(F)c1)C1CC[NH2+]CC1)c1ccc2cnccc2c1,-4.972 +CHEMBL3699666,[NH3+]C1(c2ccc(-c3nc4nc(C5CC5)ccn4c3-c3ccccc3)cc2)CCC1,-4.964 +CHEMBL1258910,Cc1ccc(-c2nc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1,-4.961 +CHEMBL3672482,N#Cc1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nn23)cc1,-4.96 +CHEMBL3699724,C=Cc1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.959 +CHEMBL3936766,Cn1c(CC(=O)N2CCc3c(OC(F)F)cccc32)nc(N2CCOCC2)cc1=O,-4.957 +CHEMBL1794065,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CC[NH2+]CC3)c21,-4.956 +CHEMBL1938415,CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,-4.952 +CHEMBL3699720,[NH3+]C1(c2ccc(-c3nc4c(F)cccn4c3-c3ccccc3)cc2)CCC1,-4.948 +CHEMBL258838,C[NH+]1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccccc12,-4.945 +CHEMBL3699696,COc1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.941 +CHEMBL1822056,O=S(=O)(Nc1cc(-c2ccc3nccn3n2)cnc1Cl)c1ccc(F)cc1,-4.939 +CHEMBL3953748,COC1(C)CN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)C1,-4.939 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+CHEMBL2177829,Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,-4.901 +CHEMBL3112850,O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(Br)cccc21,-4.901 +CHEMBL3672508,[NH3+]C1(c2ccc(-c3nn4c(-c5ccc(F)cc5)c(Cl)nc4cc3-c3ccccc3)cc2)CCC1,-4.899 +CHEMBL3667042,Cc1nc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1,-4.897 +CHEMBL3699757,Cc1c(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1Br,-4.896 +CHEMBL252654,CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(NC(=O)CNC(C)=O)CC4)cc3)nc2n1,-4.893 +CHEMBL3684352,COc1ccccc1C(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-4.89 +CHEMBL3684425,Cc1cccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1,-4.889 +CHEMBL1823632,O=C(N[C@H](c1ccccc1)C1CC[NH2+]CC1)c1ccc2cnccc2c1,-4.888 +CHEMBL4567295,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](C[C@H](O)CO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-4.887 +CHEMBL3684499,Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)n1,-4.886 +CHEMBL3699762,Cc1c(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1C,-4.885 +CHEMBL3699752,Cc1cc(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.884 +CHEMBL2375966,Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2[C@H]1CC[C@H](OCO)CC1,-4.884 +CHEMBL1823651,O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnc(F)cc2c1,-4.876 +CHEMBL3701769,CCNC(=O)c1ccc2c(c1)-c1nc(-c3ccc([C@]4([NH3+])C[C@](C)(O)C4)cc3)c(-c3ccccc3)n1CO2,-4.875 +CHEMBL493874,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCC[NH3+])c21,-4.875 +CHEMBL3893936,COC1(C)CCN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2c[nH+]c(C3CC3)c2)CC1,-4.872 +CHEMBL3684489,O=C(NCCc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,-4.871 +CHEMBL3977365,COc1nc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.869 +CHEMBL3672494,[NH3+]C1(c2ccc(-c3nn4c(-c5ccc(=O)[nH]c5)cnc4cc3-c3ccccc3)cc2)CCC1,-4.868 +CHEMBL3699664,[NH3+]C1(c2ccc(-c3nc4ncccn4c3-c3ccccc3)cc2)CCC1,-4.866 +CHEMBL3672489,[NH3+]C1(c2ccc(-c3nn4c(Br)cnc4cc3-c3ccccc3)cc2)CCC1,-4.864 +CHEMBL3672030,CC(C)c1nc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1,-4.861 +CHEMBL2177825,Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,-4.861 +CHEMBL3699754,[NH3+]C1(c2ccc(-c3nc4c(Cl)cc(Cl)cn4c3-c3ccccc3)cc2)CCC1,-4.86 +CHEMBL3672027,Cc1nc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2c1Br,-4.857 +CHEMBL3893381,Cn1c(CC(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)nc(N2CCOCC2)cc1=O,-4.853 +CHEMBL3701736,COc1ccc2c(c1)OCn1c-2nc(-c2ccc([C@]3([NH3+])C[C@](C)(O)C3)cc2)c1-c1ccccc1,-4.853 +CHEMBL3699746,COc1cncc(-c2cccn3c(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc23)c1,-4.843 +CHEMBL3672479,Cc1cnc2cc(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nn12,-4.842 +CHEMBL3703138,CCc1cc(OC)c2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.84 +CHEMBL3684525,Cc1ccc2c(c1)-c1nnc(-c3ccc(C4([NH3+])CCC4)cc3)n1-c1cccnc1N2,-4.838 +CHEMBL4441825,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](CCO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-4.835 +CHEMBL3684486,CCCc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,-4.826 +CHEMBL3699771,NC(=O)c1cc(-c2cc[nH]n2)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.822 +CHEMBL3684513,O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1cccc(F)c1,-4.812 +CHEMBL3672016,c1ccc(-c2cn3nccc3nc2-c2ccc(C[NH+]3CCC(c4nc5ncccc5[nH]4)CC3)cc2)cc1,-4.812 +CHEMBL3895917,CCc1cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c(OC)n1,-4.811 +CHEMBL596290,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,-4.811 +CHEMBL3672485,Cc1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nn23)cc1,-4.81 +CHEMBL493875,CCn1c(-c2nonc2N)nc2c(C#CCCO)ncc(OCCC[NH3+])c21,-4.81 +CHEMBL3639709,c1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(C[NH+]3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)cc1,-4.809 +CHEMBL3684435,Cc1cccc(NC(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1,-4.806 +CHEMBL3699685,Cc1cccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.801 +CHEMBL3699698,CCOc1cccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.796 +CHEMBL1234354,COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1,-4.795 +CHEMBL3414676,CC(C)CCC[C@@]1(C)CC(=O)c2cc(O)ccc2O1,-4.789 +CHEMBL3640750,Nc1ncccc1-c1nc2ccc(Sc3ccccc3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-4.789 +CHEMBL3672010,c1ccc(-c2cn3ccnc3nc2-c2ccc(C[NH+]3CCC(c4nc5ncccc5[nH]4)CC3)cc2)cc1,-4.787 +CHEMBL3640738,CN(C)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1,-4.781 +CHEMBL3703149,CNC(=O)Nc1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.776 +CHEMBL1257985,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4ccccc4)cc23)CC1,-4.775 +CHEMBL3699692,C[C@H](O)c1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.773 +CHEMBL3701740,COc1cc(OC)c2c(c1)OCn1c-2nc(-c2ccc([C@]3([NH3+])C[C@](O)(C4CC4)C3)cc2)c1-c1ccccc1,-4.771 +CHEMBL3924518,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(C(F)(F)F)CC2)cn1,-4.771 +CHEMBL3699682,CCCOc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2n1,-4.77 +CHEMBL3699758,Cc1cc(Br)c2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.765 +CHEMBL3684475,COc1ccc(C)cc1NC(=O)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,-4.764 +CHEMBL4173126,CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1CC(C)C,-4.759 +CHEMBL3699773,Cc1c(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1C,-4.759 +CHEMBL3684501,CC(C)([NH3+])c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-4.756 +CHEMBL1940246,CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,-4.753 +CHEMBL3684449,[C-]#[N+]c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,-4.749 +CHEMBL3699774,Cc1cc(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.748 +CHEMBL3684471,O=C1NCN(c2ccccc2)C12CC[NH+](Cc1ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc1)CC2,-4.748 +CHEMBL3699681,[NH3+]C1(c2ccc(-c3nc4[n-]c(=O)ccn4c3-c3ccccc3)cc2)CCC1,-4.748 +CHEMBL3699710,CCc1cnc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.747 +CHEMBL1257295,Cc1ccc(-c2nc3c(C)nc(N)nc3n([C@H]3CC[C@H](O)CC3)c2=O)cn1,-4.744 +CHEMBL596073,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,-4.74 +CHEMBL3414687,CC(C)CCC[C@@]1(C)CCc2cc(S(N)(=O)=O)cc(F)c2O1,-4.739 +CHEMBL3672483,COC(=O)c1cccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nn23)c1,-4.736 +CHEMBL2375970,Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2[C@H]1CC[C@@H](OCO)CC1,-4.736 +CHEMBL3944710,Cc1cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c(C)n1,-4.734 +CHEMBL3934544,Cn1c(CC(=O)N2CC(C)(C)c3c(F)cccc32)nc(N2CCOCC2)cc1=O,-4.734 +CHEMBL3699687,Cc1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.733 +CHEMBL1822052,Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cc2s1,-4.73 +CHEMBL3672484,[NH3+]C1(c2ccc(-c3nn4c(-c5ccc(F)cc5)cnc4cc3-c3ccccc3)cc2)CCC1,-4.73 +CHEMBL3930072,C[C@H]1Cc2ccccc2N1C(=O)Cc1nc([S-])c(F)c(N2CCOCC2)n1,-4.73 +CHEMBL4467439,CCC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-4.726 +CHEMBL453288,C[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1,-4.72 +CHEMBL2035027,[NH3+]C1(c2ccc(-c3ncc4ccccc4c3-c3ccccc3)cc2)CCC1,-4.718 +CHEMBL493911,CCn1c(-c2nonc2N)nc2cncc(OC3CC[NH2+]CC3)c21,-4.715 +CHEMBL3684477,Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,-4.714 +CHEMBL2375365,COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCO)CC3)c2=O)cn1,-4.706 +CHEMBL3699739,[NH3+]C1(c2ccc(-c3nc4ccc(C5CC5)cn4c3-c3ccccc3)cc2)CCC1,-4.706 +CHEMBL505758,C[NH+](C)CCNc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2n1,-4.706 +CHEMBL188434,CCn1c(-c2nonc2N)nc2cncc(CNC3CC[NH2+]CC3)c21,-4.705 +CHEMBL3701746,CC[C@]1(O)C[C@]([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)C1,-4.705 +CHEMBL2376095,COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCO)CC3)c2=O)cn1,-4.697 +CHEMBL2177820,Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)C2CCCCC2)cc1,-4.696 +CHEMBL3672047,Cc1nc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)c(NC3CCC3)n2n1,-4.693 +CHEMBL3684532,Cc1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(C4([NH3+])CCC4)cc3)nnc1-2,-4.691 +CHEMBL3699669,Cc1cnc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.69 +CHEMBL380004,CCc1c(C)[nH]c(CC(C)(C)[C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)c1C,-4.69 +CHEMBL1773603,COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)cnc2C)cc1,-4.684 +CHEMBL3699750,Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1Cl,-4.682 +CHEMBL3672065,Cc1cccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nccn6cc5-c5ccccc5F)cc4)CC3)n2)n1,-4.68 +CHEMBL3672530,[NH3+]C1(c2ccc(-c3nc4c5ccc(-c6ccc(=O)[nH]c6)cc5nn4cc3-c3ccccc3)cc2)CCC1,-4.677 +CHEMBL3684436,[NH3+]C1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1,-4.677 +CHEMBL3699747,[NH3+]C1(c2ccc(-c3nc4c(-c5ccn[nH]5)cccn4c3-c3ccccc3)cc2)CCC1,-4.675 +CHEMBL3672507,[NH3+]C1(c2ccc(-c3nn4c(-c5ccc(F)cc5)c(Br)nc4cc3-c3ccccc3)cc2)CCC1,-4.674 +CHEMBL3699719,CCOC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.672 +CHEMBL3672093,Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3cc(F)ccc3F)cn2n1,-4.667 +CHEMBL3703133,NC(=O)/C=C/c1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.662 +CHEMBL508098,C[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1,-4.656 +CHEMBL2177816,Nc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,-4.655 +CHEMBL3684345,O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc2ccccc12,-4.654 +CHEMBL220241,CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCC[NH+]5CCOCC5)cc4)c3)cc21,-4.652 +CHEMBL3703166,[C-]#[N+]COc1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.649 +CHEMBL3699776,Cc1cc(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.641 +CHEMBL3699749,Cc1cc(C)c2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.641 +CHEMBL3699716,[NH3+]C1(c2ccc(-c3nc4c(Br)cccn4c3-c3ccccc3)cc2)CCC1,-4.638 +CHEMBL3699691,COc1cccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.636 +CHEMBL3672070,CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)nc2ncc(Br)n12,-4.634 +CHEMBL1908343,C[C@@H]1O[C@H]2OC(=O)O[C@H]2C2=C1C(=O)c1c(O)cccc1C2=O,-4.63 +CHEMBL2035018,[NH3+]C1(c2ccc(-c3nn4cccc4cc3-c3ccccc3)cc2)CCC1,-4.629 +CHEMBL3953359,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3C[C@H]4C[C@H]4C3)cn2)cs1)C(F)(F)F,-4.625 +CHEMBL2177819,Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,-4.623 +CHEMBL494088,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]3CC[NH2+]C3)c21,-4.621 +CHEMBL3703162,NC(=O)COc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.621 +CHEMBL1800699,CCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C[NH2+]CCCNC(=O)NCCN(CC(N)=O)C(=O)[C@H](CCC(C)C)NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,-4.619 +CHEMBL3672083,CSc1nc2nc(-c3ccc(C[NH+]4CC(c5nc(-c6cccc(C)n6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1,-4.615 +CHEMBL3693558,CNC(=O)C1CCN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(N)nc4)nc3n2)CC1,-4.614 +CHEMBL3672020,Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6cc(C#N)ccc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1,-4.608 +CHEMBL494089,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCC[NH2+]C3)c21,-4.607 +CHEMBL359864,O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CC1,-4.607 +CHEMBL3699673,N#Cc1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.606 +CHEMBL4449509,C=CC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-4.603 +CHEMBL3703106,[NH3+]C1(c2ccc(-c3nc4cc(-c5ccccn5)ccn4c3-c3ccccc3)cc2)CCC1,-4.602 +CHEMBL3684372,[NH3+]Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-4.596 +CHEMBL3414682,CC(C)CCC[C@@]1(C)CCc2c(O)cccc2O1,-4.592 +CHEMBL211011,CC1(C)C(=O)Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc21,-4.59 +CHEMBL2177836,CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c1,-4.586 +CHEMBL2035019,[NH3+]C1(c2ccc(-c3nn4ccnc4cc3-c3ccccc3)cc2)CCC1,-4.584 +CHEMBL3699763,Cc1cc(-c2cccnc2)c2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.583 +CHEMBL3699761,Cc1c(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1-c1ccn[nH]1,-4.583 +CHEMBL2376093,COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCO)CC3)c2=O)cn1,-4.582 +CHEMBL3640751,Nc1ncccc1-c1nc2ccc(Oc3ccccc3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-4.582 +CHEMBL3699764,COc1cncc(-c2cc(C)cn3c(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc23)c1,-4.581 +CHEMBL3672551,COC(=O)c1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc21,-4.578 +CHEMBL1098938,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H]([NH3+])Cc3ccccc3)cc21,-4.577 +CHEMBL3684511,Fc1ccc2c(CC[NH2+]Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)c[nH]c2c1,-4.577 +CHEMBL3699680,COc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2n1,-4.575 +CHEMBL3701770,CNC(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc([C@]3([NH3+])C[C@](C)(O)C3)cc2)c1-c1ccccc1,-4.575 +CHEMBL3703129,[NH3+]C1(c2ccc(-c3nc4ccc(-c5cccnc5)cn4c3-c3ccccc3)cc2)CCC1,-4.575 +CHEMBL2177831,Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,-4.572 +CHEMBL3672553,NC(=O)/C=C/c1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc21,-4.571 +CHEMBL3896167,C[C@H](C(=O)N1CCc2c(F)cccc21)c1nc(N2CCOCC2)c(F)c(=O)n1C,-4.564 +CHEMBL3684367,O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)C1CCC1,-4.563 +CHEMBL3902097,C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc([S-])c(F)c(N2CCOCC2)n1,-4.55 +CHEMBL1822055,Nc1cn2nc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)ccc2n1,-4.548 +CHEMBL3672549,[NH3+]C1(c2ccc(-c3nc4c5cccc(-c6cn[nH]c6)c5nn4cc3-c3ccccc3)cc2)CCC1,-4.547 +CHEMBL3703136,COc1cc(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.546 +CHEMBL3699728,COc1cc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.545 +CHEMBL3672041,Cc1cccc(-c2nc(C3C[NH+](Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccccc5)cc4)C3)n[n-]2)n1,-4.539 +CHEMBL3672498,CCOC(=O)c1cncc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nn23)c1,-4.539 +CHEMBL1940248,CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,-4.535 +CHEMBL3684528,[NH3+]C1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccc(Br)cc3-4)cc2)CCC1,-4.531 +CHEMBL3925596,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3c[nH+]c(C4CC4)c3)c(N3CC[NH+](C4CC4)CC3)cn2)cs1)C(F)(F)F,-4.525 +CHEMBL3699695,[NH3+]C1(c2ccc(-c3nc4ccc(Br)cn4c3-c3ccccc3)cc2)CCC1,-4.519 +CHEMBL4517950,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](CCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-4.515 +CHEMBL3640739,CCN(CC)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1,-4.507 +CHEMBL1761086,CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCc3cc(F)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C,-4.507 +CHEMBL3649683,[NH3+]C1(c2ccc(-n3c(-c4ccc(Cl)cc4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,-4.506 +CHEMBL3672077,Cc1cn2c(NC(C)C)c(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)nc2n1,-4.504 +CHEMBL504537,O=C1C[C@H]2OC3(CCCC3)C3=C(C(=O)c4ccccc4C3=O)[C@H]2O1,-4.502 +CHEMBL3703118,CCNC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.496 +CHEMBL3667045,c1ccc(-c2cn3ccnc3nc2-c2ccc(C[NH+]3CCC(c4nc5c[nH+]ccc5[nH]4)CC3)cc2)cc1,-4.495 +CHEMBL3679631,[H]/N=C(/c1ccccc1)[n+]1c(N)ccc2nc(-c3ccc(C4([NH3+])CC(F)(F)C4)cc3)c(-c3ccccc3)cc21,-4.495 +CHEMBL2035031,[NH3+]C1(c2ccc(-c3ncc4cccnc4c3-c3ccccc3)cc2)CCC1,-4.493 +CHEMBL3684359,O=C(Cc1ccccc1)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-4.49 +CHEMBL3684334,OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-4.489 +CHEMBL4447967,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](CC(=O)[O-])C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-4.489 +CHEMBL3976987,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C(F)(F)F)CC3)cn2)cs1)C(F)(F)F,-4.489 +CHEMBL3684411,O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,-4.484 +CHEMBL3904498,COC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1,-4.484 +CHEMBL3971967,C[C@H]1Cc2ccccc2N1C(=S)Cc1nc(=S)cc(N2CCOCC2)[nH]1,-4.48 +CHEMBL3699671,CCOc1cnc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.475 +CHEMBL3703151,C=Cc1cc(OC)c2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.473 +CHEMBL3703139,COc1cc(-c2cnc[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.473 +CHEMBL209231,O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)[nH]c5c4)c3)Cc3c[nH]c4ccccc34)cc2[nH]1,-4.468 +CHEMBL3703123,[NH3+]C1(c2ccc(-c3nc4ccc(-c5ccn[nH]5)cn4c3-c3ccccc3)cc2)CCC1,-4.461 +CHEMBL3703132,COC(=O)/C=C/c1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.457 +CHEMBL1773728,CC(=O)Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)c3)cc2s1,-4.457 +CHEMBL2035030,[NH3+]C1(c2ccc(-c3ncc4ccncc4c3-c3ccccc3)cc2)CCC1,-4.455 +CHEMBL1822211,Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cc2o1,-4.453 +CHEMBL3640749,Nc1ncccc1-c1nc2ccc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1,-4.451 +CHEMBL3699689,CNC(=O)c1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.451 +CHEMBL2035020,[NH3+]C1(c2ccc(-c3nn4ccccc4c3-c3ccccc3)cc2)CCC1,-4.45 +CHEMBL3672526,COC(=O)c1ccc2c(c1)nn1cc(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc21,-4.447 +CHEMBL3699677,CNC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)[nH+]c2c1,-4.447 +CHEMBL502393,Nc1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n2)cn1,-4.44 +CHEMBL3649685,[NH3+]C1(c2ccc(-n3c(-c4ccnnc4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,-4.439 +CHEMBL493269,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCC[NH3+])c21,-4.435 +CHEMBL3679635,[NH3+][C@]1(c2ccc(-c3nc4ccc5nnc([C@@H]6NC[NH2+]N6)n5c4cc3-c3ccccc3)cc2)C[C@](O)(C2CC2)C1,-4.434 +CHEMBL3684438,O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nnc4n3-c3ccccc3Nc3ccccc3-4)cc2)CC1,-4.434 +CHEMBL3684343,CCCC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,-4.433 +CHEMBL3699738,CCNC(=O)c1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.432 +CHEMBL3684430,CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,-4.429 +CHEMBL3699679,[NH3+]C1(c2ccc(-c3nc4ccc(-n5cccn5)cn4c3-c3ccccc3)cc2)CCC1,-4.427 +CHEMBL3699706,CCOc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2n1,-4.423 +CHEMBL3701768,CN(C)C(=O)c1ccc2c(c1)-c1nc(-c3ccc([C@]4([NH3+])C[C@](C)(O)C4)cc3)c(-c3ccccc3)n1CO2,-4.416 +CHEMBL574289,O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4cc(-n5cnnn5)ccc4nc3-c3ccccc3)cc2)CC1,-4.412 +CHEMBL3699688,COc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.406 +CHEMBL3414685,CC(C)CCC[C@@]1(C)CCc2cc(N)ccc2O1,-4.405 +CHEMBL3649680,COc1ccc(-c2nc3ccc(-c4cccc(N5CCOCC5)c4)nc3n2-c2ccc(C3([NH3+])CCC3)cc2)cc1,-4.405 +CHEMBL3703165,COC(=O)COc1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.398 +CHEMBL3703134,CCOC(=O)c1ccc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.397 +CHEMBL517163,COc1cc2c(cc1Nc1nc(Nc3cccc4c3C(=O)NC4)c3cc[nH]c3n1)N(C(=O)C[NH+](C)C)CC2,-4.394 +CHEMBL2035024,[NH3+]C1(c2ccc(-c3ncc4cccn4c3-c3ccccc3)cc2)CCC1,-4.382 +CHEMBL3699670,COc1cnc2nc(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.381 +CHEMBL3672521,[NH3+]C1(c2ccc(-c3nc4c5ccc(Br)cc5nn4cc3-c3ccccc3)cc2)CCC1,-4.364 +CHEMBL2376092,Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2[C@H]1CC[C@@H](OCO)CC1,-4.364 +CHEMBL3969572,CNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,-4.363 +CHEMBL3684361,O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1F,-4.363 +CHEMBL3699712,COC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.361 +CHEMBL255592,Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(C#Cc4cccnc4)ccc3ncc21,-4.359 +CHEMBL3703122,[NH3+]C1(c2ccc(-c3nc4ccc(-c5ncc[nH]5)cn4c3-c3ccccc3)cc2)CCC1,-4.355 +CHEMBL3699756,[NH3+]C1(c2ccc(-c3nc4cc(Cl)c(Cl)cn4c3-c3ccccc3)cc2)CCC1,-4.35 +CHEMBL3956697,COC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c(OC)n1,-4.346 +CHEMBL3703116,NC(=O)/C=C/c1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.334 +CHEMBL3703148,NC(=O)Nc1ccc2[nH+]c(-c3ccc(C4([NH3+])CCC4)cc3)c(-c3ccccc3)n2c1,-4.327 +CHEMBL3684337,O=C(c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,-4.303 +CHEMBL3703115,COC(=O)/C=C/c1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.301 +CHEMBL3640744,CC(C)C(=O)N1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1,-4.298 +CHEMBL3693446,CC(C)S(=O)(=O)Nc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1,-4.292 +CHEMBL252857,CNc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,-4.28 +CHEMBL3703112,CCOC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.28 +CHEMBL3699777,Cc1cc(-c2cccnc2)cn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc12,-4.279 +CHEMBL3699684,Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4([NH3+])CCC4)cc3)nc2c1,-4.277 +CHEMBL388978,C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,-4.271 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+MOL_01_030091,C[C@H]([NH3+])Cc1ccc(C[C@H](C)[NH3+])c2cc(CCCn3cnc4ncccc43)ccc12,-10.057 +MOL_02_017700,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH2+]C4CCOCC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21,-10.056 +MOL_02_009744,Cc1ccc([C@@H]2C[C@@H](C[C@H](O)[NH2+]CCO)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-10.029 +MOL_02_009326,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c([C@H]([NH3+])[O-])c3)cn2CC[NH+]2CCC2)CC1,-10.004 +MOL_02_009835,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH2+]C(C)(C)C)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21,-9.952 +MOL_01_031295,[NH3+]Cc1ccc(-c2ccc3n2CCN3)cc1C[NH3+],-9.941 +MOL_02_009945,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)cn2C)cc1,-9.937 +MOL_02_023489,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH3+])c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21,-9.926 +MOL_02_009761,Cc1ccc([C@@H]2C[C@@H](C[C@H](O)[NH2+]C[C@H](O)CO)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-9.921 +MOL_02_000496,CN(C)c1cccc(C[NH2+]C[C@H](O)[C@H](Cc2cc(Cl)cc(Cl)c2)[NH2+][C@H]([O-])[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]([O-])[NH2+]2)c1,-9.908 +MOL_02_034109,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](CC[NH2+]C4CCOCC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21,-9.865 +MOL_01_026467,O=C1C=CC(C)=C(C1=2)c3c(C2C)cc(C[NH3+])c(c3)C[NH3+],-9.847 +MOL_02_045597,COc1ccc2nccc(CC[N@H+]3C[C@H](C[NH2+]Cc4ccc5c(n4)N[C@@H](O)CC5)[C@H](O)C3)c2n1,-9.803 +MOL_02_009702,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccccc2OCC[NH+]2CCCCC2)[nH]1,-9.79 +MOL_01_030056,N[C@@]1([NH3+])C[C@]1(c1ccc(F)cc1)[C@H]([NH3+])CCCCc1cccnc1,-9.781 +MOL_01_027820,Nc1ccc(n12)[nH]c(cc2=O)CC[C@H](O)CC[C@H](O)c3ccc(F)cc3,-9.687 +MOL_01_024595,Clc1ccc(cc1)[C@H](CC([NH3+])(N)N)c2ccc(cc2)-c3ccncc3,-9.684 +MOL_01_030681,[NH3+]C[C@@H](c1ccc(Cl)cc1)[C@H]([NH3+])Nc1ccc2cnccc2c1,-9.677 +MOL_02_015378,[NH3+]C1(Cc2ccc3ccccc3c2)CCN(c2ncnc3c2CCN3)CC1,-9.676 +MOL_02_008350,CCC[C@H](O)[NH2+][C@@H]1Cn2c(c(-c3ccc(O)cc3)c3c(N)ncnc32)[C@H]1C,-9.619 +MOL_01_025351,CCC(=[NH2+])N1CCc2cc(C[NH2+]CCC(=[NH2+])N[C@@H]3CCCc4ccccc43)ccc21,-9.616 +MOL_01_027955,CCn1c2ccccc2c2cc([C@H](N)[C@H]([NH3+])Nc3ccc(C[NH3+])c(C[NH3+])c3)ccc21,-9.613 +MOL_01_030524,NC(=[NH2+])c1cccc(-c2cccc(CC(=[NH2+])NCc3ccc4ccccc4c3)c2)c1,-9.594 +MOL_01_040534,O=C1N=C(N)S[C@@H]1c2cnc(OC)c(c2)[C@H]([NH3+])NCc3ccc(C(F)(F)F)cc3,-9.594 +MOL_02_035850,CC(C)[NH2+]C[C@H](Cc1cccc(C(Cl)(Cl)Cl)c1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-9.585 +MOL_02_019447,CCc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(Cl)c(C)c3)cn2CC[NH3+])CC1,-9.577 +MOL_02_024246,Cc1ccc([C@H](O)NCC2([NH3+])CCN(c3ncnc4c3CCN4)CC2)cc1,-9.577 +MOL_02_032565,CC(C)c1ccc(N[C@H](O)[NH2+][C@@H]2CCN(c3ncnc4ccccc34)C2)cc1,-9.565 +MOL_02_009548,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH3+])c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21,-9.564 +MOL_02_008766,COc1cc([C@H](O)[NH2+][C@@H]2CC[C@@H](O)N(C[C@H](O)[NH2+][C@H](CCCCN[C@H](O)c3ccccc3)[C@H](O)OC)[C@H]2O)cc(OC)c1OC,-9.532 +MOL_01_031718,Clc1ccccc1CC[C@@](C)(C[NH3+])N[C@H]([NH3+])c2cccc(c2)CC(F)(F)F,-9.532 +MOL_02_009750,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(Cl)cnn3C)co2)cc1,-9.513 +MOL_02_009587,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCCC2)CC1,-9.508 +MOL_01_026672,[NH3+]Cc1cccc(-c2cc(NCCc3cccnc3)nc(C[NH3+])n2)c1,-9.489 +MOL_01_028275,CNc1cccc(CCc2ccc([C@@H]3[C@@H](C[NH3+])N(C(=[NH2+])C4CCCCC4)[C@H]3C[NH3+])cc2)c1,-9.468 +MOL_02_009355,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2cc(Cl)c(-c3c(C)cnn3C)o2)cc1,-9.457 +MOL_02_009549,Cc1ccc([C@@H]2C[C@@H](CC[NH+]3CCC(O)CC3)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-9.444 +MOL_01_016284,NC1=[NH+]CCN(Cc2ccccc2C(F)(F)F)[C@H]1CC(=[NH2+])NC1CCCCC1,-9.438 +MOL_02_030820,CC[NH2+][C@H](NCCn1cnc2ccccc21)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-9.432 +MOL_02_034523,Nc1nc(-c2cccc(C[NH3+])c2)c(-c2ccncn2)n2nc(Cc3cncn4ccnc34)nc12,-9.417 +MOL_02_009662,Cc1cccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)c1,-9.416 +MOL_01_029206,[NH3+]Cc1ccc(Cl)cc1NC(=O)c2cccc(c2)-n3ccnc3,-9.412 +MOL_02_024422,CC(C)Nc1ccnc(N2CC[C@@H]([C@H](C[NH3+])n3cc(-c4ncnc5c4CCN5)cn3)C2)n1,-9.407 +MOL_01_026112,[H]/N=C(\c1cc(C[NH3+])c(C[NH3+])c(C[NH3+])c1)c1cccc2c1ccn2C,-9.404 +MOL_01_027205,C[N+]1=C(N)c2c(ccc(C(=[NH2+])NCc3ccc(F)cc3)c2C[NH3+])N[C@@H]1c1ccc(F)cc1,-9.4 +MOL_02_025697,[NH3+]Cc1cc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)ccc1N1CCC(O)CC1,-9.385 +MOL_02_036379,C[C@@H]1CCc2ncnc(N3CC4(CC[NH2+]CC4)c4cc(CC[NH3+])ccc43)c21,-9.382 +MOL_01_032736,CCc1ccc([C@H](O)Cc2c(Cl)cncc2Cl)c(CC[C@H]([NH3+])O)c1CC,-9.378 +MOL_01_027648,Cc(c1)ccc(c12)c(C[C@H](N)[C@H]([NH3+])N)nc3c2c(N)ncc3,-9.363 +MOL_01_002043,[NH2+]1CC[NH2+]C1[C@H](O)N([C@H]2C[NH2+]C[NH2+]2)Cc(c(F)n3)cc(c34)cc(F)nc4F,-9.356 +MOL_02_007866,ON[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[NH2+]CCCCCC[NH2+][C@@H](O)[C@@H](Cc1ccc2ccccc2c1)NO,-9.338 +MOL_01_010651,c1ccccc1C[NH2+][C@H](CC[NH3+])CCc2cccc(c23)cncc3,-9.331 +MOL_02_034492,C[NH2+][C@H](O)Nc1nc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1N,-9.324 +MOL_02_009767,Cc1cnn(C)c1-c1cc([C@H](O)N[C@@H]2C[NH2+]C[C@H]2c2ccc(C(Cl)(Cl)Cl)cc2)oc1C,-9.318 +MOL_02_022275,C[NH2+]C[C@H](O)COc1cccc(-c2nc(NCCC[N@H+]3CCC[C@H]3[O-])cc(-c3cc4ccccc4o3)n2)c1,-9.315 +MOL_02_009775,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH3+])CC1,-9.304 +MOL_02_033063,[NH3+]Cc1cc2ccccc2nc1-n1cnc(C[NH3+])c1C[NH3+],-9.303 +MOL_01_031450,C[C@H]([NH3+])c1ccc(Cl)cc1N[C@H]([NH3+])Cc1cccc2ccccc12,-9.297 +MOL_02_024085,[NH3+]Cc1cnc2c(NC3CC3)cc(Nc3cc(N(C[NH3+])C[NH3+])cc(N4CC[NH+](CCO)CC4)c3)nn12,-9.271 +MOL_02_023375,Cc1ccc2ncnc(N3CCC[C@]4(CC[NH2+]C4)C3)c2n1,-9.265 +MOL_01_029898,Nc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)[C@@H](N)[NH3+],-9.246 +MOL_02_026593,N[C@@H]([NH3+])C1CCN(c2cccc3nccn23)CC1,-9.244 +MOL_02_009056,Cc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cc1C,-9.23 +MOL_02_009416,[NH3+]Cc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1Cl,-9.228 +MOL_02_009184,[NH3+]Cc1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1O,-9.225 +MOL_02_025751,Cc1ccc([C@H](C[NH+]2CCC([NH+](C)C)CC2)[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1Cl,-9.221 +MOL_02_008884,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C[C@H]([NH3+])CC2CCCCC2)[C@@H](O)[C@H]1O,-9.208 +MOL_02_009173,Cc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cc1C[NH3+],-9.207 +MOL_01_000904,CCc1ccc(NC)c(c1)CN[C@H](O)[C@H]([NH2+]C)n(c2=O)cc(F)c(c23)[nH]c4c3cccc4,-9.206 +MOL_01_032245,[NH3+]Cc1ccc(N[C@H]([NH3+])CN[C@H]([NH3+])Cc2cccc3ccccc23)c(C[NH3+])c1,-9.198 +MOL_01_028752,[NH3+]Cc1cc(C[N@H+]2CCC[C@@H]([C@H]([NH3+])Nc3ccccc3Cc3cccnc3)C2)ccc1F,-9.197 +MOL_02_009560,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(Cl)c2O)[nH]1,-9.194 +MOL_02_009644,Cc1cc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cnc1C,-9.192 +MOL_02_027809,C[NH2+]CCn1cc(-c2ccc(Cl)c(C)c2)[nH+]c1C1CCN(c2ncnc(N)c2N)CC1,-9.192 +MOL_02_033147,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccccc2O)[nH]1,-9.182 +MOL_02_017998,Cc1cc(-c2cn(CC3C[NH+](C)C3)c(C3CCN(c4ncnc(N)c4C)CC3)[nH+]2)ccc1Cl,-9.17 +MOL_01_029228,C[C@](C[NH3+])(COc1ccc(C[NH3+])cc1C(F)(F)F)N[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1,-9.158 +MOL_01_026927,CCCc1ccc([C@H]([NH3+])Nc2ccc(OC)nc2[C@H]([NH3+])NCC2CCOCC2)c2ccccc12,-9.156 +MOL_01_007514,Fc1cc(F)c(F)cc1C[C@H]([NH3+])C[C@H]([NH3+])N(C2)CCn(c23)cnc3-c4ccccn4,-9.153 +MOL_01_029476,Cn1cc(N[NH2+]N[C@H]([NH3+])CCc2ccc(F)cc2)c2ccccc21,-9.144 +MOL_01_014798,[NH3+]Cc1c(Cl)cc(Cl)cc1[C@H]([NH3+])Nc2cccc(c23)cccn3,-9.14 +MOL_02_002683,C[N@H+](CCC[NH2+][C@H](O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@@H](O)[C@H]1O,-9.138 +MOL_02_009330,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C)c3)cn2CC[NH+](C)C)CC1,-9.138 +MOL_01_029023,C=C(C[C@H]([NH3+])/C(C)=N/c1cc(C(F)(F)F)ccc1Cl)c1cc(C[NH3+])c(C[NH3+])cc1C[NH3+],-9.134 +MOL_02_009438,Cc1ccc([C@@H]2C[C@@H](CC[NH+](C)C)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-9.133 +MOL_02_022598,[NH3+]Cc1cc(-c2ncnc3c2CCN3)cn1-c1ccccc1,-9.129 +MOL_01_030159,NC(=[NH2+])C1=C(NC(=[NH2+])CCc2ccc3cc(N)ccc3c2)CC[C@H](c2ccc(F)cc2)C1,-9.125 +MOL_01_019999,CCC[C@H]([NH3+])c1cnn(-c2ccc(Cl)cc2)c1N[C@H]([NH3+])c(c(N)c3)cc(c34)cc(C)cc4,-9.124 +MOL_02_033532,[O-][C@@H]1[NH2+]CC[N@H+]1CCNc1ccc2ncc(-c3ccccc3)n2n1,-9.116 +MOL_02_007893,COc1ccc2nccc(N(C)C[C@]3(O)CC[C@H]([NH2+]Cc4ccc5c(n4)N[C@@H](O)CC5)CC3)c2n1,-9.115 +MOL_02_036325,C[C@@H]1CCc2ncnc(N3CC4(CC[NH2+]CC4)c4cc(C[NH3+])ccc43)c21,-9.105 +MOL_02_005832,C[C@H](O)[C@H]([NH2+][C@H](O)CCc1ccccc1)[C@H]([O-])[NH2+][C@H](Cc1ccccc1)[C@H]([O-])[NH2+][C@H](CC[C@H]([NH3+])O)C(O)O,-9.103 +MOL_02_031271,Oc1cccc2c1CCN2[C@H](O)C[C@H]1N[C@H]([NH+]2CCOCC2)C[C@H](O)N1,-9.099 +MOL_02_002197,[NH3+]CC[C@H](N[C@H](O)c1ccc(-c2cccc(NC(O)(O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)c2)o1)[C@H](O)N1CC[NH2+]CC1,-9.085 +MOL_02_012734,Nc1ncccc1-c1cncn1-c1ccc(C[NH3+])cc1,-9.084 +MOL_01_031915,[NH3+]Cc1ccccc1[C@H]([NH3+])C[C@H]([NH3+])c1ccc(-n2ccnc2)cc1,-9.082 +MOL_02_023691,Cc1[nH+]c(CC[NH3+])c2n1CCN(c1cccnc1)C2,-9.08 +MOL_01_015142,c1cccc(c12)[C@@H]([NH3+])[C@@H]([C@H]2[NH3+])c3cc(F)cc(c3)Cc4cccnc4,-9.072 +MOL_02_016364,[NH3+]Cc1cc2c(nc1-n1cnc(C[NH3+])c1C[NH3+])CCCC2,-9.066 +MOL_02_010056,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2cc(Cl)c(-c3ccnn3C)o2)cc1,-9.063 +MOL_02_027323,[NH3+]Cc1cc2c(nc1-n1cnc(C[NH3+])c1C[NH3+])CCC2,-9.063 +MOL_02_009557,C[C@@H]1CCc2ncnc(N3CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c21,-9.059 +MOL_01_019368,[NH3+]Cc1ccc(c(C[NH3+])c1C[NH3+])-c2cc(Nc3ccccc3)nn2-c4ccc(F)cc4,-9.057 +MOL_02_045598,N[C@@H]([NH3+])NCCC[C@H]([NH2+][C@H](O)CCc1ccccc1)[C@H](O)N[C@H](Cc1ccccc1)[C@H]([NH3+])O,-9.055 +MOL_01_027371,[NH3+]Cc1cccc([C@H]2CCN(c3ccc(-c4ccncc4)cc3)[C@@H]2[NH3+])c1,-9.055 +MOL_01_028998,[NH3+]Cc1[nH]cc(c(=O)c1C[NH3+])[C@H](O)c2ccccc2Cl,-9.052 +MOL_02_033089,Cc1nc2cccnc2n1-c1ccc(C[NH3+])c(C[NH3+])c1,-9.052 +MOL_02_000546,CN1c2ccccc2[C@@H](c2ccccc2)N[C@@H]([NH2+][C@H](O)Nc2ccc(C(O)O)cc2)[C@H]1O,-9.051 +MOL_01_029375,C[C@](C[NH3+])(COc1cc(C[NH3+])ccc1C(F)(F)F)N[C@@H]([NH3+])c1ccc(CC(F)(F)F)cc1,-9.051 +MOL_02_009074,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc3c2NCCC3)[nH]1,-9.047 +MOL_01_031717,[NH3+]Cc1ccc(C[NH+]2CCC([C@H]([NH3+])N3CCN(c4ccccc4F)CC3)CC2)cc1C[NH3+],-9.037 +MOL_02_010040,Cc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cc1Cl,-9.035 +MOL_02_035909,Cc1cc([C@H](C[NH2+]C(C)C)[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc(C(Cl)(Cl)Cl)c1,-9.034 +MOL_02_035867,CC(C)[NH2+]C[C@H](c1cc(C(Cl)(Cl)Cl)cc(C(Cl)(Cl)Cl)c1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-9.032 +MOL_01_024540,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccccc2OCC[NH+]2CCCC2)[nH]1,-9.029 +MOL_01_030587,NC(=[NH2+])c1cc(Cl)c(Cl)cc1C(=[NH2+])Nc1cccc2cccnc12,-9.004 +MOL_02_024932,[NH3+][C@@H]1Cc2cc(-n3ccnc3)ccc2[C@H]2[NH2+]CCCN12,-9.004 +MOL_01_029844,CCc1cc(N[C@H]([NH3+])c2ccc(-c3ccccc3)cc2)c([C@@H](N)[NH3+])cc1CC,-8.998 +MOL_02_015940,c1nc2c(c(N3CC[C@]4(CCCC[NH2+]4)C3)n1)CCN2,-8.994 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+MOL_01_032339,CCN(CC(=[NH2+])Nc1c(F)cccc1F)C(=[NH2+])[C@H]1CC(N)=[N+](CCc2ccccc2)C1,-8.951 +MOL_01_029931,[NH3+]Cc1ccccc1N[C@H](O)C1C[NH+]([C@H]([O-])c2ccc3c(c2)OCO3)C1,-8.947 +MOL_02_022518,Nc1ncnn2c([C@H](O)CN3CC[N@H+](Cc4ccccc4)C[C@H]3CO)ccc12,-8.946 +MOL_01_026950,O=C(NCc1ccc(Cc2cncc(C(F)(F)F)c2)cn1)c1ccc2nccn2c1,-8.935 +MOL_02_003276,CC(O)(O)c1ccc(C[N@H+]2CCC[C@@H](Nc3cccc4cnccc34)C2)cc1,-8.934 +MOL_02_032341,O[C@H](N[C@@H]1COc2ccccc2C1)[NH+]1CCN(c2ccc3nccn3n2)CC1,-8.933 +MOL_01_028777,[NH3+]Cc1cc(NCc2ccncc2)c([C@H](O)Nc2ccccn2)cc1C[NH3+],-8.929 +MOL_01_030316,C[C@H]([NH3+])C[C@@H]([NH3+])N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,-8.927 +MOL_02_024431,[NH3+]Cc1cc(-c2cccc3ccccc23)nnc1NCC[NH+]1CCOCC1,-8.924 +MOL_01_026852,[NH3+][C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1,-8.92 +MOL_01_032140,[NH3+]Cc1cccc([C@H]([NH3+])Nc2cccc3cccnc23)c1C[NH3+],-8.918 +MOL_02_015696,Nc1c(N(CC[NH3+])CC[NH3+])ncnc1-n1cnc2ccccc21,-8.918 +MOL_02_009063,Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)cc3)cn2CC[NH+]2CCCC2)CC1,-8.912 +MOL_02_019881,O[C@H](N[C@@H]1CC[C@@H]2CC[C@H]1[N@@H+]2Cc1c(Cl)cccc1Cl)[n+]1ccc2[nH]nc([C@@H]3CC[C@H]4[NH2+]CC[N@H+]4C3)c2c1,-8.91 +MOL_02_009898,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(N(O)O)c2O)[nH]1,-8.909 +MOL_01_028287,Cc1ccc2c(c1)N(CCC[C@H]([NH3+])Nc1cccc(C(F)(F)F)c1)[C@H]([NH3+])CO2,-8.907 +MOL_02_010049,C[NH2+]CCn1cc(-c2ccnc(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2Cl)CC1,-8.906 +MOL_02_007352,Oc1cccc(C[C@@H]2C[NH2+]C[C@@H](Cc3cccc(O)c3)C2O)c1,-8.905 +MOL_02_006136,COc1ccc([C@H](C[C@H]([NH3+])O)N2[C@H](O)c3ccccc3[C@@H]2O)cc1OC,-8.898 +MOL_02_006763,[NH3+][C@@H]1CCC[C@@H](c2cc[nH+]cc2N[C@H](O)c2ccc(Cl)c(-c3c(Cl)ccc(O)c3Cl)n2)C1,-8.895 +MOL_02_009071,Cn1nccc1-c1ccc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(Cl)c2)nc1,-8.884 +MOL_01_025423,Cc1nc(-c2cccc(Cc3ccccc3)c2)c(C(N)=[NH2+])c(C(N)=[NH2+])c1N,-8.883 +MOL_02_004412,OC(O)CC[C@H](NN[C@H](O)C[NH2+][C@H](O)Cc1ccccc1)c1ccccc1,-8.882 +MOL_01_026645,Nc1cc(C[NH3+])c(C(=O)N[C@H]2CC[N@H+](CCCCc3ccc(F)cc3)C[C@@H]2C[NH3+])cc1Cl,-8.876 +MOL_02_009625,Cc1cnn(C)c1-c1cc([C@H](O)N[C@H](C[NH3+])Cc2cccc(Cl)c2)oc1C,-8.872 +MOL_01_032262,[NH3+]Cc1ccc([C@H]([NH3+])N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1C[NH3+],-8.87 +MOL_02_006297,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CNC2=C(O)C(O)=C2Nc2cccc(N(O)O)c2)[C@@H](O)[C@H]1O,-8.866 +MOL_02_010046,Nc1ncnc(N2CCC(c3nc(-c4ccc(Cl)c(Cl)c4)cn3CC[NH+]3CCCC3)CC2)c1Cl,-8.865 +MOL_01_031407,[NH3+]Cc1ccc([C@H](C[NH3+])NC(=O)Cc2ccc(F)c(F)c2)c(C[NH3+])c1,-8.862 +MOL_01_024838,Cc1ccc(-n2c(N)c3cc[n+](C[NH3+])[n+](C[NH3+])c3c2N)cc1,-8.858 +MOL_02_018364,[NH3+]C[C@@H]1COCCN1c1cc2n[nH]c(=O)n2cn1,-8.857 +MOL_02_023800,Cc1ccc([C@H](C[NH3+])N2CCN(c3[nH+]cnc4c3CCN4)CC2)cc1,-8.857 +MOL_02_026342,CC[NH2+][C@H](NCCC[NH+]1CCN(c2cccc(C)c2)CC1)N[C@@H]1CCc2ncnn2C1,-8.857 +MOL_01_028081,Cc1cccc(N[C@H]([NH3+])CC[C@H]([NH3+])Cc2cccc(C(F)(F)F)c2)c1C,-8.855 +MOL_02_030799,C[NH2+][C@H](NCCn1cnc2ccccc21)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-8.854 +MOL_01_025288,Nc1ccc(C2=C3C(=Nc4cc(C[NH3+])c(C[NH3+])cc43)C(=[NH2+])N=C2)cc1,-8.852 +MOL_02_009025,[NH3+][C@H](Cc1ccc(Cl)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3ccccc23)CC1,-8.85 +MOL_02_034296,O[C@H]([NH2+]CCc1cccnc1)C1CCN(c2nnc3ccccn23)CC1,-8.845 +MOL_02_002049,[NH3+][C@H](NO)c1ccc(CCc2cc(O)cc(O)c2)cc1,-8.839 +MOL_02_002560,O=c1[nH]ccc2cc(OC[C@@H]3CCC[NH2+]C3)ccc12,-8.838 +MOL_02_004842,Cc1ccc(OC[C@@H]2O[C@@H](n3c4ncnc(N)c4c4c(=O)[nH]c(=O)[nH]c43)[C@@](C)(O)[C@H]2O)cc1,-8.836 +MOL_02_000944,N[NH2+]N[C@@]1(CO)O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O,-8.834 +MOL_02_019613,Nc1ccc(-n2cccc2C[NH3+])c2ccncc12,-8.833 +MOL_02_036135,Nc1ccc2ncnn2c1-c1ccc(C[NH3+])cc1,-8.832 +MOL_02_027224,Cc1nccn1-c1cccc(NCc2cn3c([nH+]2)CCCC3)n1,-8.825 +MOL_01_031176,Nc1cc(-c2ccc(N[C@@H]([NH3+])NCc3cccc(C[NH3+])c3)cc2)ccn1,-8.822 +MOL_02_031336,Cc1ccc2ncc(-c3ccc(N4CC[NH+](C)CC4)c(C[NH3+])c3)n2n1,-8.815 +MOL_02_009374,COc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccccc34)CC2)cc1,-8.814 +MOL_02_019648,O[C@H](NCc1ccc2c(c1)CCO2)[NH+]1CCN(c2ccc3nccn3n2)CC1,-8.814 +MOL_02_009838,Cc1cnn(C)c1-c1coc([C@H](O)NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)c1,-8.812 +MOL_01_029648,[NH3+]Cc1cc2c(cc1C[NH3+])C(=O)[C@H]1CCC[C@H]1C=C2,-8.811 +MOL_02_025971,[NH3+][C@H](Nc1ccc(-n2ccnc2)nc1)c1ccc(-n2ccc3cccnc32)cc1,-8.807 +MOL_02_009643,C[C@@H]1CN([C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2cccc(O)c21,-8.8 +MOL_01_029651,[NH3+]C[C@]1(N[C@H](O)c2ccn(-c3ccccc3Cl)n2)C=C=CC1,-8.799 +MOL_01_031123,NC(N)([NH3+])c1ccc(CCC(=[NH2+])Cc2cccc3cnccc23)cc1,-8.798 +MOL_02_002674,COc1ccc([C@H](O)Nc2nc(-c3ccccc3O)cc(-c3cccc([C@H](O)NC(C)(C)C[NH3+])c3)c2C[NH3+])cc1,-8.793 +MOL_02_002475,N[C@@H]([NH3+])N[C@H](O)c1cnn(-c2cccc3ncccc23)c1C1CC1,-8.793 +MOL_01_029696,[NH3+]Cc1cc2c(cc1C[NH3+])C[N@H+](CCCN1CCc3c(CCCF)cccc3[C@H]1[NH3+])CC2,-8.792 +MOL_02_009623,COc1cc2cnccc2cc1[C@H]([O-])[NH2+][C@H](c1ccc(C)c(C)c1)C1CC[NH2+]CC1,-8.791 +MOL_02_033357,O[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCCN(c2c3c(nc4ncnn24)CCC3)C1,-8.785 +MOL_02_018700,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c21,-8.784 +MOL_01_027722,C[C@H]([NH3+])Nc1cccc(NC[C@H]([NH3+])NC2=Nc3ccc4c(c3=C2)=CN=N4)c1,-8.779 +MOL_02_005216,CC[NH2+][C@H](O)NC[C@@H]1Cc2ccccc2CN1[C@H](O)[C@H]([NH3+])Cc1c(C)cc(O)cc1C,-8.777 +MOL_02_020454,Nc1cc(-c2cncn2-c2ccc(C[NH3+])cc2)ccn1,-8.775 +MOL_02_009200,[NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([O-])[NH+]1CCN(c2ncnc3ccccc23)CC1,-8.774 +MOL_02_009493,Nc1ncnc(N2CC[C@@]3(CCC[N@H+](C[C@H](O)CNC(O)(O)c4ccccc4Cl)C3)C2)c1C1CC1,-8.773 +MOL_01_026941,[NH3+]Cc1ccc([C@H](O)Nc2c(Cl)cncc2Cl)c2ccnn12,-8.771 +MOL_02_029419,Nc1ncnc2c1ncn2Cc1ccc(Cl)c(C[NH3+])c1,-8.77 +MOL_02_030877,C[C@@H]1CN([C@H](O)C[C@@H]2C[C@@H](O)C[C@@H]([NH+]3CCOCC3)N2)c2cccc(O)c21,-8.769 +MOL_02_009369,[NH3+][C@H](Cc1ccc(C(Cl)(Cl)Cl)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3ccccc23)CC1,-8.761 +MOL_02_016695,[NH3+][C@@H]1CCCN(c2cccc(-c3cnc4ccccn34)n2)C1,-8.761 +MOL_02_023131,C[C@H](O)c1cnc(N2CC[C@@H]([C@H](CC[NH3+])n3cc(-c4ncnc5c4CCN5)cn3)C2)c(N)n1,-8.761 +MOL_01_029323,Nc1cncc2ccc(C(=O)CCc3ccccc3C[C@@H](N)[NH3+])nc12,-8.76 +MOL_02_009851,Cc1ccc([C@@H]2C[C@@H](CCO)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.76 +MOL_02_014703,[NH3+]C[C@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3c2CCN3)CC1,-8.758 +MOL_02_002505,C[C@@H](N[C@@H]1C[N@H+]2CC[C@@H]1CC2)[NH2+]NCc1c(O)ccc2ccccc12,-8.758 +MOL_01_030043,[NH3+]Cc1cc(CC(=O)Cc2cccc3cccnc23)cc(C[NH3+])c1C[NH3+],-8.757 +MOL_02_011904,c1nc2c(c(N3CC[NH2+]CC3)n1)CCN2,-8.757 +MOL_02_035901,CC(C)[NH2+]C[C@H](c1ccc(C(Cl)(Cl)Cl)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.755 +MOL_01_025289,Cc1cc(C[NH3+])ccc1-c1ncncc1-c1ccc(C[NH3+])cc1,-8.754 +MOL_02_009002,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2ccc(-c3ccnn3C)o2)cc1,-8.753 +MOL_02_009201,COCC[NH2+]C[C@H](c1ccc(C)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.753 +MOL_02_032261,Cc1ccc2ncnc(N3N[C@@]([NH3+])(c4ccc(N5CCOCC5)c(C)c4)N[C@H]3[NH3+])c2c1,-8.753 +MOL_02_009903,Cc1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1O,-8.748 +MOL_02_029980,Clc1ccc(-c2ccccc2C[NH+]2CCN(CCCn3cnc4ccccc43)CC2)cc1,-8.745 +MOL_01_025906,C[C@]1(C(=[NH2+])NCc2cccc(Cl)c2)Cc2nccc(-c3cccc(C(N)=[NH2+])c3)c2C1,-8.738 +MOL_02_009854,CC(C)[C@H](c1nc(N2CCOCC2)cc(=O)[nH]1)[C@H](O)Nc1ccc(Cl)cc1,-8.737 +MOL_02_019339,O[C@@H]1C[C@@H](C[C@H](O)N2CCc3c(-c4ccncc4)cccc32)N[C@@H]([NH+]2CCOCC2)C1,-8.736 +MOL_02_026624,c1nc2c(c(N3CCC[C@]4(CCC[NH2+]C4)C3)n1)CCC2,-8.733 +MOL_01_032249,[NH3+]Cc1ccc(CCN2CNC(CCc3ccc(Cl)c(Cl)c3)=[NH+]C2)cc1C[NH3+],-8.732 +MOL_02_006671,CCC(CC)[C@H](O)Nc1cc(N[C@H](O)CCc2ccc(O)c(O)c2)ccc1O,-8.732 +MOL_02_036021,[NH3+]Cc1cnc2ccccc2c1-n1cccc1C[NH3+],-8.731 +MOL_02_027682,Clc1ccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc5c4CCCN5)CC3)n2)cc1C(Cl)(Cl)Cl,-8.729 +MOL_02_009532,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(OC(Cl)(Cl)C(Cl)Cl)c2)[nH]1,-8.717 +MOL_02_021970,[NH3+][C@H](N[C@H]([NH3+])C1CC[NH+](Cc2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CC1)c1ccccn1,-8.71 +MOL_02_004044,CCc1[nH+]c2ccc([C@H](O)NCc3ccc4c(c3)OCO4)cn2c1N(CCC(C)C)CC[NH+](C)C,-8.71 +MOL_01_028034,NC(=O)N1CCC(Cc2ccc(C(=O)N3CCCC[C@@H]3CCC[NH3+])cc2C[NH3+])CC1,-8.709 +MOL_02_037364,Nc1nc(CCCCn2c(=O)[nH]c3ccccc32)c(C[NH3+])c(-c2ccccc2)c1C[NH3+],-8.708 +MOL_02_012519,Nc1c(-n2ccnc2C[NH3+])ccc2cnccc12,-8.706 +MOL_01_025977,Cc1cc(-n2cc3c(n2)CN([C@H]([NH3+])c2cc(C[NH3+])ccc2CCC2CC2)C3)ccn1,-8.705 +MOL_01_032791,CN(CCc1ccc(C[NH3+])c(C[NH3+])c1)[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1,-8.704 +MOL_02_009118,Cc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)[C@@H]2CCC[NH2+]C2)cc1C,-8.704 +MOL_01_030503,CC(C)c1cc2c(C[C@H]([NH3+])CC[NH3+])ncnc2cn1,-8.703 +MOL_02_037181,[NH3+]Cc1ccc(N2CCC([NH2+][C@H](O)NCCCc3nnc4n3CCCCC4)CC2)nc1,-8.703 +MOL_02_006089,Cc1cc2c(=O)[nH]ccc2cc1N[C@H](O)c1ccccc1,-8.701 +MOL_01_029870,C[C@](C[NH3+])(COc1cc(C[NH3+])ccc1C(F)(F)F)N[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1,-8.698 +MOL_01_024684,CCCc1ccc(N[C@H]([NH3+])c2cc3nc4c(C)cccn4c(N)c-3c2)cc1,-8.695 +MOL_02_008276,[NH3+]CC(C[NH3+])[C@H](C[NH3+])c1ccc(CO)cc1,-8.695 +MOL_01_031846,C[C@](C[NH3+])(CCc1c(Cl)cccc1Cl)N[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1,-8.692 +MOL_02_006414,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COC(O)(O)OC(O)(O)OC[C@@H]2O[C@@H](N3CCC[C@@H]([C@H]([NH3+])O)C3)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,-8.692 +MOL_02_002512,Cc1ccccc1C[N@@H+]1CC[N@@H+](C[C@H](O)NCc2cccnc2)[C@H]1[O-],-8.689 +MOL_02_003840,CC[N@H+](Cc1ccccc1)C[C@H](O)N[C@H](O)[NH2+]C1CCCCC1,-8.685 +MOL_02_030032,[NH3+]Cc1cccc(-c2cc(-n3c4c(c5cc(C[NH3+])ccc53)CCCC4)nc(-n3c4ccccc4c4cccnc43)c2)c1,-8.682 +MOL_02_024562,c1cc(N2CCC[C@]3(CCC[NH2+]C3)C2)n2ccnc2c1,-8.681 +MOL_02_010044,CCc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(OC)c([C@H]([NH3+])[O-])c3)cn2CC[NH+]2CCC2)CC1,-8.672 +MOL_01_030722,CC(C)(C)c1ccc(C[NH3+])c(N[C@H](O)NCN(O)C2=[NH+]N[C@H](O)CC2)c1,-8.671 +MOL_02_024911,Cc1c(C)n(CC[NH+]2CCCC2)c2ncnc(N)c12,-8.671 +MOL_02_012478,CC(C)([NH3+])c1cncn1-c1cccc2cnccc12,-8.667 +MOL_02_009513,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccccc34)CC2)cc1,-8.666 +MOL_01_028731,CCn1cc(C(N)=[NH2+])c(=[NH2+])c2cccc(C)c21,-8.663 +MOL_02_003729,C[C@@H]1NN([C@H](C)[NH3+])[C@@H](O)[C@H]1NNc1ccc(O)cc1,-8.662 +MOL_02_024667,[NH3+]Cc1cccc(-c2cc(-n3c4c(c5ccccc53)CC[NH2+]C4)nc(-n3c4ccccc4c4cc(C[NH3+])ccc43)c2)c1,-8.661 +MOL_02_001241,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CNC(O)(O)N[C@H](O)CCCC[C@@H]2CC[C@@H]3[NH2+][C@@H]([O-])[NH2+][C@H]23)[C@@H](O)[C@H]1N,-8.661 +MOL_01_026671,CNc1cccc(CN[C@H]([NH3+])Cn2c(CC[C@H]([NH3+])Nc3ccc(C)cc3)nc3ccccc32)c1,-8.659 +MOL_01_026739,CC(C)C[C@H](NC(=[NH2+])[C@@H](Cc1ccccc1)/[NH+]=C(\N)c1ccc2ccccc2n1)C(O)O,-8.659 +MOL_01_028398,CCc1ccc(CC)c(N[C@H]([NH3+])c2nnn(C[C@H]([NH3+])Nc3ccc(C(C)C)cc3)c2N)c1,-8.657 +MOL_02_003185,CC[C@H](Cc1ccccc1)[C@H](O)[NH2+][C@H](CCCc1ccc(C)cc1)[C@H](N)O,-8.657 +MOL_02_009376,Nc1ncnc(N2CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc3ccccc3)CC2)c1Cl,-8.657 +MOL_02_009709,O[C@H](NCC[NH2+]CCCc1ccc(Cl)cc1)c1cccc2cnccc12,-8.657 +MOL_02_033019,Nc1ccc2ncnc(-n3cnc(C[NH3+])c3C[NH3+])c2c1,-8.656 +MOL_02_017408,CC(C)[NH2+]C[C@H](c1ccc(Cl)c(Cl)c1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.656 +MOL_02_005986,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H](O)NC2CC2)[C@@H](O)[C@H]1O,-8.655 +MOL_02_009039,Cc1ccc([C@@H]2C[C@@H](CC[NH+]3CCCCC3)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.655 +MOL_02_004488,Cc1cc2c(=O)[nH]ccc2cc1N[C@H](O)[C@H]1CC[C@H]([NH3+])CC1,-8.655 +MOL_02_032659,Cn1ncc2c(N3CC[NH+](Cc4cn5ccccc5c4C[NH3+])CC3)ncnc21,-8.649 +MOL_01_027226,C=C(Cc1ccc(Cc2ccnc3cc(C[NH3+])c(C[NH3+])cc23)cc1)c1ccncc1,-8.648 +MOL_01_028122,[NH2+]=C(CCCCCC(=[NH2+])Cc1cnc2ccccc2c1)Cc1ccccc1,-8.648 +MOL_01_029349,Cc1c(C)c2c(c(C)c1N)CC[C@](C)(C[NH2+]Cc1ccc(C[NH3+])c(C[NH3+])c1)C2,-8.646 +MOL_01_030805,Cc1cccc([C@H](C)[NH3+])c1N[C@H]([NH3+])Cc1cccc2ccccc12,-8.646 +MOL_02_008513,Nc1nccc(N2CCC3(CC2)C[NH2+]C3)n1,-8.645 +MOL_02_012769,Nc1ncccc1-c1cncn1-c1cccc(C[NH3+])c1,-8.645 +MOL_02_026782,[NH3+]C[C@@H]1COCCN1c1ccc2n[nH]c(=O)n2n1,-8.645 +MOL_01_027235,N[C@@]1([NH3+])N[C@]1(c1ccc(F)cc1)[C@H]([NH3+])[C@H]1C[C@@H](c2cccnc2)C1,-8.644 +MOL_02_009583,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(Cl)c2)[nH]1,-8.64 +MOL_01_027891,CCc1ccc2nccc(CCN[C@H]([NH3+])c3ccc(CC(F)(F)F)cc3)c2c1,-8.637 +MOL_02_017351,OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccnc4ccccc34)cn2)c2cccn2n1,-8.634 +MOL_02_017697,COc1cc(N2CC[NH+]([C@H](O)NCCn3cnc4ccccc43)CC2)ccc1-n1cnc(C)n1,-8.634 +MOL_02_031343,Nc1ncnc2c1ncn2Cc1cccc([C@@H](N)[NH3+])c1Cl,-8.633 +MOL_02_009586,Cc1ccc([C@@H]2C[C@@H](C[C@H](O)[NH2+]C3CCC3)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.631 +MOL_01_027742,Cc1ccc(CN2CCCn3nc([C@H]([NH3+])NCCc4ccc(C[NH3+])c(C[NH3+])c4)cc3[C@H]2[NH3+])cc1,-8.628 +MOL_02_006423,CCCCCCCC[C@]1(Cc2ccc(OC)cc2)[C@H](O)N[C@H](O)N[C@@H]1O,-8.627 +MOL_02_012141,Nc1ncccc1-c1nccn1-c1ccc(C2([NH3+])CCC2)cc1,-8.624 +MOL_01_026502,[NH3+]Cc1cc([C@H]([NH3+])NCC[NH+]2CCC([C@H]([NH3+])c3ccc(F)cc3)CC2)c(C[NH3+])cc1Cl,-8.621 +MOL_01_026276,[NH3+]Cc1cc(O)c2c(c1C[NH3+])CCCC2=O,-8.621 +MOL_02_009865,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccc(N(C)C)cc34)CC2)cc1,-8.619 +MOL_01_026837,Cc1ccc(F)c(C(=[NH2+])N2C[C@H](C(N)=[NH2+])[C@@H](c3ccccc3)C2)c1Cl,-8.614 +MOL_02_022164,[NH3+]CCCn1cc(Nc2ncc(C[NH3+])c(NCc3cccc(N4CCOCC4)c3)n2)cn1,-8.614 +MOL_02_018577,Cc1cc(N2CCN(c3nc4c(c(C[NH3+])c3C[NH3+])CCCCCC4)CC2)n2ncnc2n1,-8.613 +MOL_02_005593,Cc1ccc(N[C@H](O)[C@H](O)[C@@H]2[C@@H]([NH3+])NN(c3ccccc3)[C@H]2O)cc1,-8.612 +MOL_02_009860,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+](C)C)CC1,-8.61 +MOL_02_009261,CN(C)c1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-8.606 +MOL_02_009417,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc3occc23)[nH]1,-8.605 +MOL_01_026769,Cn1ncnc1-c1cc(Cc2ccc(N[C@H]([NH3+])Nc3cccc(C(F)(F)F)c3)cc2F)ccn1,-8.604 +MOL_02_003696,Cc1[nH]c(=O)[nH]c(=O)c1CC[C@H](O)[NH2+][C@H](CO)[C@H](O)c1ccc(N(O)O)cc1,-8.603 +MOL_02_022901,Cc1cnn2c(Nc3ccc(C[NH3+])cc3)c(C[NH3+])c(NCC[NH+]3CCOCC3)nc12,-8.599 +MOL_01_031259,[NH3+]Cc1ccccc1CN[C@H]([NH3+])CN1Cc2cccc3cccc1c23,-8.598 +MOL_02_031989,O[C@H](C[N@H+]1CCCN[C@H]1O)Nc1ccnc2ccnn12,-8.596 +MOL_02_032273,Cc1cc(N2CCC[NH2+][C@@H](O)C2)n2ncnc2n1,-8.596 +MOL_02_000367,CO[C@H](O)N[C@H](C[C@H](O)[NH+]1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1,-8.592 +MOL_02_036859,[NH3+][C@@H]1CCCCN(c2cc[nH+]cc2Nc2cccc3cnc(-c4c(Cl)cccc4Cl)nc23)C1,-8.591 +MOL_02_017028,Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(Cl)(Cl)Cl)c4)cn3CC[NH+]3CCC3)CC2)c1O[C@@H](Cl)C(Cl)Cl,-8.591 +MOL_02_010057,C[C@@H]1CN(c2cc(=O)[nH]c(C[C@H](O)Nc3ccc(Cl)cc3)n2)CCO1,-8.589 +MOL_02_036190,Nc1ncnc2c1cnn2-c1ncccc1C[NH3+],-8.589 +MOL_01_027504,CC(=O)C[C@H](C[NH3+])c1ccc(Cl)c(CCc2ccnc3ccccc23)c1,-8.589 +MOL_01_032820,CCc1ccc(CN[C@H]([NH3+])CN2N=C(c3ccc(Cl)cc3)CC[C@@H]2[NH3+])cc1,-8.589 +MOL_02_009377,COc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1Cl,-8.586 +MOL_02_014191,CCc1cnc(N2CCC(c3nnc4c(Nc5ccc(-n6cncn6)nc5C)cccn34)CC2)nc1,-8.586 +MOL_02_006805,Nc1ncnc2c1ncn2OCCOCC(O)(OCc1ccccc1)OCc1ccccc1,-8.584 +MOL_02_009356,Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(O)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCCC2)CC1,-8.58 +MOL_01_029583,NOc1cc(C[NH+]2CCC(C(=[NH2+])N3CCN(c4ccccc4F)CC3)CC2)cc(ON)c1ON,-8.579 +MOL_01_027192,CCn1cc2c(n1)[C@H](CC[NH3+])CN([C@H]([NH3+])CCCc1ccccc1)C2,-8.578 +MOL_01_031146,NOc1ccc(N[C@H]([NH3+])CCC[C@H]([NH3+])N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,-8.578 +MOL_02_009468,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(Cl)c2)[nH]1,-8.578 +MOL_02_013262,C[NH+]1CCN(c2ccc(-n3ncc4c(N)ncnc43)c(C[NH3+])c2)CC1,-8.575 +MOL_01_025201,CCn1c(N)c2cc([C@H]([NH3+])N(CC[NH+](C)C)Cc3ccccc3)cc-2c2ccccc21,-8.575 +MOL_02_008292,[O-]c1cccc(C(O)O)c1[C@@H](O)c1c(O)cc([C@@H](O)N[C@@H]2C[NH2+]C[C@H]2N[C@@H](O)c2ccc(O)cc2)cc1O,-8.575 +MOL_02_004139,Cc1ccccc1-c1cc(C(O)O)c2cnn(Cc3ccncc3)c2n1,-8.57 +MOL_02_016956,C[C@@H]1OCc2ncnc(N3CC[NH+]([C@H]([O-])[C@H](CC(C)(C)[NH3+])c4ccc(Cl)c(Cl)c4)CC3)c21,-8.57 +MOL_02_002950,CC(C)C(O)(O)[C@@H]1[NH2+]C[C@@H]2N[C@@H](O)[C@@H](Cc3ccc(-c4ccccc4)o3)[C@@H]([NH3+])N21,-8.569 +MOL_01_026980,NC1=[N+](c2ccccc2)[C@H](c2ccc(C[NH3+])cc2)[C@H]1CCCc1cccnc1,-8.568 +MOL_02_002756,[NH3+][C@H](Cc1ccc(O)cc1)[C@H](O)N[C@@H]1CCCC2(CCCCC2)[C@@H](C(O)O)[NH2+][C@@H]([O-])[C@@H](Cc2ccccc2)[NH2+][C@@H]([O-])C[NH2+][C@H]1O,-8.566 +MOL_02_036005,CC(C)c1nc2cnccc2n1-c1cccc(C[NH3+])c1,-8.565 +MOL_02_015566,NC(N)c1cc(N2CCn3cnnc3C2)cc[nH+]1,-8.564 +MOL_02_009605,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H](O)[C@H](C[NH2+]C(C)(C)CO)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21,-8.564 +MOL_01_029868,[NH3+]Cc1ccc(C[C@H]([NH3+])NCCC[NH+]2CCN(c3ccccc3F)CC2)cc1C[NH3+],-8.564 +MOL_01_027978,Cc1ccc(CN2C=C[NH+]=C(N)[C@@H]2CC(=[NH2+])N[C@@H]2CCCc3cc(C[NH+](C)C)ccc32)cc1,-8.563 +MOL_01_029054,NC(N)(N)c1nc(CCC(=[NH2+])Cc2ccc3c(c2)CCCC3)c2ccccc2n1,-8.563 +MOL_02_006930,COc1ccccc1N[C@H](O)c1cc(N(O)O)ccc1N[C@@H]1CN(C)CC[N@H+]1C,-8.562 +MOL_02_024465,Nc1c(C[NH3+])c([C@H](C[NH3+])Cc2cc3ccccc3nc2N2CCOCC2)nn1-c1ccccc1,-8.562 +MOL_02_031030,c1cncc(C[N@H+]2CCC[C@@H](n3ccnc3-c3cccc4cnccc34)C2)c1,-8.562 +MOL_02_016269,Cc1c(C)n([C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ncnc(N)c12,-8.561 +MOL_02_034559,Cc1ccccc1C1CC[NH+](CCCCn2cnc3ccccc32)CC1,-8.56 +MOL_01_032199,[NH3+]Cc1ccc2ccc(-c3ccccc3)c(O)c2c1C[NH3+],-8.56 +MOL_02_032144,COc1ccc(Cn2ncc(N[C@H](O)c3cc(N[C@H](O)c4cccc(C(Cl)(Cl)Cl)c4)ccc3C)c2N)cc1,-8.558 +MOL_02_025252,C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(c1cc(N)ncn1)CC2,-8.557 +MOL_01_030622,CNc1cc(C[NH3+])c(C(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-8.554 +MOL_02_009503,Cc1cc(-c2cn(CC3C[NH2+]C3)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)[nH+]2)ccc1Cl,-8.554 +MOL_02_032925,Nc1ccc2nc(-n3cnc(C[NH3+])c3C[NH3+])ccc2c1,-8.545 +MOL_01_030301,CCCc1cc(C(=[NH2+])N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(C[NH3+])c(C[NH3+])c1,-8.544 +MOL_02_031415,C[NH2+]C[C@@H]1CCCCN1c1cc(C)cc2ncnn12,-8.541 +MOL_02_000412,COc1ccc(N(C[C@H](O)[NH2+]Cc2ccccc2)[C@H](O)CC[C@H](O)Nc2cc(C)cc[nH+]2)c(OC)c1,-8.541 +MOL_02_009158,[NH3+][C@H](Cc1ccccc1)[C@H]([O-])[NH+]1CCN(c2ncnc3ccccc23)CC1,-8.54 +MOL_02_003406,[NH3+]Cc1cc(C(O)(O)Nc2ccc(Cl)cn2)ccc1Oc1ccc(-n2ccnc2)cc1,-8.539 +MOL_02_008648,COc1cc(OC)cc([C@H](C[C@H]([NH3+])O)N2[C@H](O)c3ccccc3[C@@H]2O)c1,-8.535 +MOL_02_009431,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cc(Cl)cc(Cl)c2)[nH]1,-8.534 +MOL_02_010029,Cc1ccc([C@H](C[NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1,-8.534 +MOL_02_028077,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)CC3)c21,-8.533 +MOL_02_012318,[NH3+]Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(C[NH3+])cc43)ncc2-n2c3ccccc3c3ccc(C[NH3+])cc32)c1,-8.532 +MOL_01_030585,CC(C)C[C@@H](C(=[NH2+])NCC[NH3+])c1cccc(-c2ccc(-c3ccncc3)cc2)c1,-8.531 +MOL_02_031950,O=c1cc(N2CCC([NH2+]C[C@H](O)N[C@@H]3CCOc4ccccc43)CC2)nc[nH]1,-8.531 +MOL_02_026248,Cc1cn2cc/c(=[NH+]/c3nc(NC4CCN(c5ccc(C[NH3+])nn5)CC4)c(C)c[nH+]3)cc2[nH]1,-8.53 +MOL_01_028336,[NH2+]=C(C[C@H]1C[NH2+]CCN1)N[C@H]1CC[C@@H](CC[NH+]2CCC(c3cccc4c3CCN4)CC2)CC1,-8.529 +MOL_02_008091,[O-][C@@H]1[NH2+][C@@H](O)C(CCCc2ccncc2)(CCCc2ccncc2)[NH2+]1,-8.528 +MOL_01_031345,CC[C@](CCCCC(c1ccccc1)c1ccccc1)(c1ccc(C[NH3+])c(C[NH3+])c1)[C@@H](N)[NH3+],-8.528 +MOL_02_012801,Nc1ncnc2c1ncn2-c1ccc(C[NH3+])cc1,-8.526 +MOL_02_025965,N[C@@H]([NH3+])c1c(-n2ccc3ccccc32)ccc(-n2ccc3ccccc32)c1[C@@H](N)[NH3+],-8.522 +MOL_01_029720,O[C@H](NCCCc1ccc(C(F)(F)F)cn1)c1cccc2ncccc12,-8.52 +MOL_02_036246,CCc1nc2cnccc2n1-c1cccc(C[NH3+])c1,-8.519 +MOL_02_009714,CCc1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-8.518 +MOL_01_029688,[NH3+][C@H](CCc1ncnc2ccccc12)c1ccc(Cl)cc1,-8.515 +MOL_02_009211,COc1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-8.515 +MOL_02_009138,O=c1cc(N2CCOCC2)nc(C[C@H](O)N2CCc3c(O)cccc32)[nH]1,-8.513 +MOL_02_004298,Cc1cc(C)c(Oc2cc(Nc3ccc(C[NH3+])cc3)[nH+]cc2[C@H](O)NCc2cn(Cc3ccccc3C)nn2)c(C)c1,-8.513 +MOL_02_019558,CCc1cnc(N2CCC(c3ncn4c(Nc5ccc(-n6cncn6)nc5C)nccc34)CC2)nc1,-8.511 +MOL_02_026087,[NH3+]Cc1cccnc1N1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1,-8.511 +MOL_02_009972,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CC[NH2+]C3CCCC3)CC2)c1[C@H]([NH3+])[O-],-8.509 +MOL_02_009932,CC(O)(O)c1cccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4C[NH3+])CC3)n2)c1,-8.508 +MOL_02_000173,COc1cc(C[C@H](O)[NH2+]C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC,-8.507 +MOL_02_035404,CNc1nc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1[C@@H](N)[NH3+],-8.507 +MOL_01_026903,[NH3+]Cc1ccc(CC[NH2+]CC[C@@H]2CNc3ccccc3C2)cc1C[NH3+],-8.506 +MOL_02_031139,COc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cc1Cl,-8.506 +MOL_01_025638,C[C@@H](NC(=[NH2+])[C@@H](Cc1ccccc1)/[NH+]=C(\N)c1cc2cc(Cl)ccc2n1C)C(N)=O,-8.502 +MOL_01_027767,[NH3+]Cc1ccc(Cl)cc1N[C@H]([NH3+])Nc1cc(Cl)nc2ccccc12,-8.5 +MOL_02_031871,[NH3+]CCC1CCN(c2cc3n[nH]c(=O)n3cn2)CC1,-8.496 +MOL_01_028441,CC1(C)CC[C@H](CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cc(C[NH3+])c(C[NH3+])cc21,-8.494 +MOL_02_009712,Cc1noc(C)c1C(O)(O)NC[C@H](O)C[N@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1,-8.494 +MOL_02_022534,O[C@H](NCCc1nnc2n1CCCCC2)[NH+]1CCN(c2ccccc2)CC1,-8.492 +MOL_02_016016,Nc1[nH]c2nc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c(=O)[nH+]1,-8.491 +MOL_02_012792,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(Cl)(Cl)Cl)c3)cn2CC[NH+](C)C)CC1,-8.49 +MOL_02_036865,[O-][C@@H]1[N@@H+](Cc2ccccn2)C[C@H]2CN(Cc3ccnc4ccccc34)CC[N@H+]21,-8.486 +MOL_01_030689,CCCCCc1c(C)cccc1[C@H]([NH3+])NC1([C@H](C)[NH3+])Cc2ccccc2C1,-8.483 +MOL_02_031746,O[C@H]([NH2+]C1CC1)N1CCn2nc(-c3ccc(Cl)cc3)c(-c3ccc4nc(NCc5ccnc(Cl)c5)cn4n3)c2C1,-8.482 +MOL_02_009090,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)cc2)[nH]1,-8.482 +MOL_02_001281,[O-][C@@H]1[NH2+][C@H](O)[C@@H](Nc2cccc(C(O)O)c2)[C@@H]1c1ccccc1N(O)O,-8.481 +MOL_02_029376,[NH3+][C@@H]1CCCN(c2ncnc3c2CCC3)C1,-8.48 +MOL_02_008417,CN(C)c1ccc(C[NH2+][C@H](O)Nc2cccc3cnccc23)cc1,-8.478 +MOL_02_001027,Cc1cc(C[C@@H]2C[C@@H]([NH3+])N(c3ccccc3)[C@H]2O)ccc1O,-8.477 +MOL_02_024931,[NH3+]CCCn1c(-c2cccc(C[NH+]3CCN(c4ccccc4)CC3)c2)nc2ccccc21,-8.473 +MOL_02_019088,[NH3+]Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc4cnccn34)C2)c(Cl)c1,-8.469 +MOL_02_009323,CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C)c3)cn2CC[NH+]2CCC2)CC1,-8.465 +MOL_01_025668,[NH3+]Cc1cc2c(c(C[NH3+])c1C[NH3+])[C@@H](c1cc(-c3ccccc3)ccc1F)N[C@H]([NH3+])N2,-8.462 +MOL_02_000089,CC(C)(C)[NH2+][C@H]([O-])[C@@H]1CN(Cc2cccnc2)CC[N@H+]1C[C@H](O)C[C@H](Cc1ccccc1)[C@H](O)N[C@@H]1c2ccccc2C[C@H]1O,-8.46 +MOL_01_032846,[NH3+]Cc1cc(NCc2ccc3ccccc3[nH+]2)cc(C[NH3+])c1C[NH3+],-8.457 +MOL_01_029048,[NH3+]Cc1ccc(Cl)cc1NCc1ccc2c(c1)NC(=O)CCC2,-8.456 +MOL_01_031054,CC(C)(C)c1cccc([C@H]([NH3+])Nc2cccc(Nc3cc[nH+]c(N[C@H]([NH3+])C4CC4)c3)c2)c1,-8.454 +MOL_02_009668,Nc1ncnc(N2CCC(c3nc(-c4cc[nH]c(=O)c4)cn3CC[NH+]3CCC3)CC2)c1C[NH3+],-8.454 +MOL_02_009716,Cc1ccc([C@@H]2C[C@@H](C[C@H]([NH3+])O)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.453 +MOL_01_031147,[NH2+]=C(N[C@H](Cc1ccccc1)C(=[NH2+])Nc1ccc(F)cc1)C1CC[NH2+]CC1,-8.449 +MOL_02_009966,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccc(C)cc34)CC2)cc1,-8.448 +MOL_02_030865,Cc1nc(N2CCOCC2)ccc1Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,-8.445 +MOL_02_012503,Cc1nc2cnccc2n1-c1cccc(C[NH3+])c1,-8.444 +MOL_01_032184,CCc1ccc2c([C@H]([NH3+])N(C)C[C@@H](N)[NH3+])c(CCC(F)(F)F)ccc2c1C(F)(F)F,-8.444 +MOL_02_017716,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CCC[NH3+])CC2)c1N,-8.443 +MOL_02_008474,Cc1ccc([C@H](O)Nc2ccc(Nc3nc(N4CC([NH3+])C4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1,-8.442 +MOL_02_029936,c1ccc2c(c1)Cc1nccc(-n3cnc(C4CC[NH2+]CC4)c3)c1-2,-8.442 +MOL_02_034627,Cc1nc(C)nc(-c2cc(C[NH3+])ccc2-n2c3ccc(-c4cccc(C[NH3+])c4)cc3c3cc(-c4cccc(C[NH3+])c4)ccc32)n1,-8.442 +MOL_02_012376,[NH3+]Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2C[NH3+])cc(-n2c3ccccc3c3ccccc32)n1,-8.441 +MOL_02_015853,CCc1c(N)ncnc1N1CCn2cc[nH+]c2C1,-8.441 +MOL_02_009034,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2ccc(-c3c(Cl)cnn3C)o2)cc1,-8.44 +MOL_02_000435,C[NH2+][C@H](N[C@H]([NH3+])O)N[C@@H]1CCCc2cc(C)cnc21,-8.439 +MOL_02_026041,Cn1ncc2c(N3CCC([NH2+]CCCc4ccncc4)CC3)nc(N3CC[NH+](C)CC3)nc21,-8.438 +MOL_01_029560,CC(C)c1c(CCCc2cccnc2ON)c([C@@H](N)[NH3+])nn1C,-8.437 +MOL_02_033192,C[C@H](O)Nc1nc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1C[NH3+],-8.436 +MOL_01_030653,[NH3+][C@H](Nc1cccc(-c2ccccc2)c1)N[C@@H]([NH3+])c1ccc2nccnc2c1,-8.435 +MOL_02_012739,Nc1ncccc1-c1cncn1-c1ccccc1C[NH3+],-8.435 +MOL_02_005809,OC[C@@H]1O[C@@H](C[C@H](O)[NH2+]Cc2ccccc2)CC[C@H]1[NH2+][C@H](O)Nc1ccc2c(c1)OCO2,-8.434 +MOL_02_016394,[NH3+]Cc1cnc(Nc2cnn(CCO)c2)nc1NCc1cccc(N2CC[NH2+]CC2)c1,-8.433 +MOL_02_030773,C[NH2+][C@H](NCc1nccc2ccccc12)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-8.433 +MOL_02_030749,[O-][C@H]1N(C[C@@H](O)[NH2+]CCc2ccccc2)c2c(cnn2-c2ccccc2)[C@H]2[NH2+]CC[N@H+]21,-8.427 +MOL_02_007294,Cc1ccc(CNC[C@H]([NH2+][C@H](O)CN[C@H](O)c2cccc(C(Cl)(Cl)Cl)c2)[C@H](O)NCc2ccccc2)c(C)c1,-8.423 +MOL_01_027983,CN(Cc1cc(=O)n2cccc2[nH]1)C[C@H](O)Nc1ccc(Cl)c(C(F)(F)F)c1,-8.423 +MOL_02_014901,Cc1cc(-n2cc([C@@H]3CC[C@H]4CN(c5nccnc5C[NH3+])CC[N@H+]43)nn2)ccn1,-8.422 +MOL_02_020022,[O-][C@@H]1[N@@H+]2CCC[C@@H]2C[N@@H+]1C1CCN(Cc2cccnc2)CC1,-8.418 +MOL_02_009274,CC(O)(O)c1cccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4[C@H](N)O)CC3)[nH+]2)c1,-8.416 +MOL_02_011584,[NH3+]Cc1cccnc1N1CCC[C@@H](Cc2nnc3ccccn23)C1,-8.416 +MOL_02_019919,O[C@H](Nc1ccc2c(c1)CCCO2)[N@@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1,-8.416 +MOL_02_030775,O=c1[nH]nc2ccc(N3CC[NH+](CCO)CC3)nn12,-8.416 +MOL_02_007251,Cc1cccc(N[C@H](O)c2cc(C[NH3+])ccc2CO[C@H](c2ccc(C[NH3+])cc2)c2cncn2C)c1,-8.415 +MOL_02_034424,[NH3+]Cc1cccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c1C[NH3+],-8.411 +MOL_02_017849,Nc1[nH+]ccc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CC[NH+]3CCCC3)CC2)c1-c1ccc(C(O)O)cc1,-8.41 +MOL_02_008746,CC[C@H]([NH2+][C@H]([O-])[C@H](CC(C)C)N[C@H](O)OCc1ccccc1)[C@H](O)[C@H](O)NCCCn1cnc2c(N)ncnc21,-8.41 +MOL_01_031137,CCc1ccc(CC)c(N2C[C@H]([NH3+])[C@@H]2O)c1,-8.409 +MOL_02_001389,COc1cc(N[C@H]([NH3+])NC[NH3+])ccc1-c1cnco1,-8.409 +MOL_02_034194,C[NH2+][C@H](NCCCc1nnc2ccccn12)N[C@@H]1CCCN(c2cc(C)ccc2Cl)C1,-8.408 +MOL_01_030537,COc1ccc2cccc(CCNC(=[NH2+])C3CN(C(=[NH2+])c4ccncc4Cl)C3)c2c1,-8.407 +MOL_02_000741,CO[C@H](O)[C@@H]1[C@@H](C)[NH2+][C@@H](C)N(CCCCC[NH+]2CCC(c3ccccc3C(Cl)(Cl)Cl)CC2)[C@H]1c1ccc(Cl)c(Cl)c1,-8.407 +MOL_02_007571,C[C@H](O)O[C@H](C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O)C(O)(O)O,-8.407 +MOL_01_032652,O[C@@H](Nc1ccncn1)c1cc(Cc2cccnc2)cc[nH+]1,-8.405 +MOL_02_033066,[NH3+]Cc1ncn(-c2ccc3ccccc3n2)c1C[NH3+],-8.404 +MOL_02_029762,[NH3+]Cc1ccc(-n2cnc3c2CCCC3)c(C[NH3+])c1,-8.404 +MOL_02_004869,CC1(C)[NH2+][C@@H]([O-])[C@@H](Cc2ccc(O)cc2)[NH2+]1,-8.403 +MOL_02_018957,[NH3+]Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2C[NH3+])cc(-n2c3ccccc3c3cc[nH+]cc32)c1,-8.403 +MOL_01_011591,[NH3+][C@H](O)[C@@H](Cc1ccccc1)Nc1cc(=O)c2ccccc2[nH]1,-8.401 +MOL_01_024829,CCOc1ccccc1C[C@H]([NH3+])C[n+]1ncc2c([nH]c3ccccc32)c1N,-8.401 +MOL_02_008696,Cc1cnc([C@H](O)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cn1,-8.401 +MOL_02_025276,Nc1cnc2c(c1)N(CC[NH2+]CCCn1ccnc1)CCN2CC[NH2+]CCCn1cc[nH+]c1,-8.4 +MOL_02_016953,Cc1ccc([C@H](CC(C)(C)[NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)OC4)CC2)cc1Cl,-8.399 +MOL_02_024341,Cn1nccc1-c1ccc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1,-8.399 +MOL_02_000429,[NH3+]CN[C@H](NC(O)(O)c1ccccc1)c1ccccc1,-8.398 +MOL_02_009554,C[NH+]1CC(Cn2cc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)[nH+]c2C2CCN(c3ncnc(N)c3[C@H]([NH3+])[O-])CC2)C1,-8.397 +MOL_01_030438,[NH2+]=C(C[C@@H]([NH3+])Cc1cc(F)c(F)cc1F)N1CCN(C(=[NH2+])c2ccccc2)CC1,-8.396 +MOL_02_009506,Cc1cc([C@@H]2CC[NH2+]C[C@H]2Nc2ccc([C@H](N)O)c3ncncc23)ccc1Cl,-8.396 +MOL_01_029831,[NH3+]Cc1cc(NCc2ccc([C@H]([NH3+])O)cc2)ccc1Cc1ccc(Cl)c(C(F)(F)F)c1,-8.395 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+MOL_02_031468,c1cnc2nc(N3CCOCC3)nc(N3CCc4[nH+]cc(N5CCCn6nccc65)cc4C3)c2c1,-8.379 +MOL_02_009703,CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(Cl)(Cl)Cl)n3)cn2CC[NH+]2CCC2)CC1,-8.378 +MOL_01_026179,CC(=O)c1cn(C2NN2)c2cc([C@H]3C[C@H]([NH3+])C[C@H]([NH3+])C3)ccc2c1=O,-8.378 +MOL_02_034402,c1cnc(N2CC[NH+](CCCCn3cnc4ccccc43)CC2)nc1,-8.377 +MOL_01_032082,CCCCCC[C@@H](NC(=[NH2+])[C@H]1CCC(N)=[NH+]1)C(=[NH2+])Nc1cccc(C(F)(F)F)c1,-8.376 +MOL_01_030576,CCN[C@H]([NH3+])CCc1ccc(Cl)cc1C[C@H]([NH3+])c1cc2cc(CCl)ccc2cc1N,-8.375 +MOL_01_027354,C=C1[C@@H](C)[C@H](c2cc(C[NH3+])c(C[NH3+])c(C[NH3+])c2)N1c1ccc(C[NH3+])c(C)c1,-8.374 +MOL_02_002237,Oc1ccc(C[C@@H](O)[NH2+]CCCC[NH2+][C@@H](O)Cc2ccc(O)c(O)c2)cc1O,-8.374 +MOL_01_031980,C[C@@H](CC[NH3+])[NH2+][C@H](O)CCc1nncc2ccccc12,-8.373 +MOL_02_009963,COc1cc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccccc34)CC2)cc(OC)c1,-8.372 +MOL_02_018819,Cc1c(C)n(-c2cccc(C[NH3+])c2)c2ncnc(N)c12,-8.371 +MOL_02_002011,Cc1ccc2c(c1)CCN2C(O)(O)c1ccc([C@H](O)Nc2ccc(C[NH3+])cc2C(O)O)cc1,-8.371 +MOL_02_001255,Cc1ccc(NN[C@H]([C@H](O)N[NH3+])C(O)(O)c2ccc(C)cc2)cc1,-8.37 +MOL_01_027206,CNc1cccc2cc([C@H]([NH3+])C[C@](N)([NH3+])c3ccc(C(C)(C)C)cc3)c(N)nc12,-8.369 +MOL_02_009396,C[NH+](C)CCn1cc(-c2ccc(Cl)c(C(Cl)(Cl)Cl)c2)[nH+]c1C1CCN(c2ncnc(N)c2-c2ccc(C(C)(C)O)cc2)CC1,-8.369 +MOL_01_026723,[NH3+]Cc1ccc(CC[NH2+]CC[C@@H]2Cc3ccccc3N(Cc3ccc(C[NH3+])c(C[NH3+])c3)C2)cc1C[NH3+],-8.368 +MOL_02_012388,[NH3+]Cc1ccc2c3ccccc3n(-c3cc(-c4ccccc4C[NH3+])c(-n4c5ccccc5c5ccc(C[NH3+])cc54)cn3)c2c1,-8.368 +MOL_02_000730,[NH3+]Cc1ccc(-c2ccc(OC[C@H](O)NNCc3ccncc3)cc2)cc1,-8.367 +MOL_02_019820,Cn1nc2c(c1-c1ccccc1)-c1nc(N[C@H]([NH3+])CC[NH2+]CCN3CC[NH+](CCO)CC3)ncc1CC2,-8.367 +MOL_02_011624,[NH3+]Cc1ccncc1N1CCC[C@@H](Cc2nnc3ccccn23)C1,-8.366 +MOL_02_004163,CCOc1cccc(N2CCC(CC[NH3+])(n3cc([C@H]([NH3+])[O-])c(Nc4ccc(Cl)cc4)n3)CC2)n1,-8.365 +MOL_02_030515,OCCN(C[C@@H]1CCC[NH2+]1)c1nccn2nccc12,-8.364 +MOL_02_013565,O=c1[nH]c2ccccc2n1CCCCC[NH+]1CCN(c2ncncn2)CC1,-8.364 +MOL_02_005074,Cc1ccccc1CN[C@H]([NH3+])N[C@@H](N)[NH3+],-8.362 +MOL_02_036401,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(Cl)c4)cn3CCCCC3CCCC3)CC2)c1C[NH3+],-8.362 +MOL_01_026132,C[C@H]1C[C@H](C)CN(c2cnnc3c(C[NH3+])c(C[NH3+])c(C[NH3+])cc23)C1,-8.361 +MOL_01_031813,[NH3+]Cc1ccccc1CN[C@H]([NH3+])[C@@H]1CCc2cnccc2C1,-8.361 +MOL_02_018956,[NH3+]Cc1cccc(-c2cc(-n3c4ccccc4c4cc(C[NH3+])ccc43)nc(-n3c4ccccc4c4ccncc43)c2)c1,-8.36 +MOL_02_018392,[NH3+]Cc1nc2n(n1)CCCN2Cc1ccc2c(c1)CN([C@@H]1CC[C@@H](O)[NH2+][C@H]1O)[C@H]2O,-8.36 +MOL_02_025975,C[C@H]([NH3+])c1ccc(-n2cnc3c(N)ncnc32)cc1,-8.36 +MOL_02_001520,[O-][C@@H]1[C@H](CCc2ccccc2)[NH2+][C@H]([O-])[N@H+]1C[C@@H](O)Nc1ccc(Cl)c(Cl)c1Cl,-8.36 +MOL_02_003456,CC(C)C[C@H]([NH2+][C@H](O)NCc1ccc(Cl)cc1)[C@H](O)NO,-8.36 +MOL_02_005624,Cc1ccc([C@H]([O-])[N@@H+]2CCC[C@H]2[C@H]([O-])[NH+]2CCC([C@H](O)[NH2+]CCc3ccncc3)CC2)cc1,-8.359 +MOL_02_032985,[NH3+]Cc1ncn(-c2cc(C[NH3+])c3ccccc3n2)c1C[NH3+],-8.359 +MOL_02_033130,CC(C)[NH2+]C[C@H](c1ccc(C(Cl)(Cl)Cl)cc1Cl)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.359 +MOL_01_031675,[NH3+]C[C@H](N[C@H](O)CCCCc1cccnc1)c1ccc(F)cc1F,-8.357 +MOL_01_030060,N[C@@]1([NH3+])Cc2ccccc2[C@H](C[C@@H]([NH3+])Cc2cccc(C[NH3+])c2)N1,-8.356 +MOL_02_017106,Nc1ncccc1-c1cncn1[C@@H]1CC[N@H+]2CCC[C@@H]12,-8.355 +MOL_02_011382,O=c1[nH]ccn1[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21,-8.354 +MOL_01_025932,Cc1ccc(C2=Nc3ccccc3[N+](CC(=[NH2+])Nc3ccc(C[NH3+])c(C[NH3+])c3)=C(N)C2)cc1C,-8.353 +MOL_02_001365,Cc1ccn2ncc(-c3ccn(C(O)(O)c4cc(N(O)O)ccc4C)n3)c2n1,-8.353 +MOL_02_026389,[NH3+]CCN1CCN(c2ccc(-c3cnc4ccc(CO)nn34)cc2)CC1,-8.352 +MOL_01_030951,CCc1ccccc1CCC[N@H+]1C[C@H](NC[NH3+])[C@@H](C(C)C)C1,-8.35 +MOL_02_035890,O=c1[nH]c(C[C@@H]2c3cc(Cl)c(N4CCOCC4)cc3N[C@H]2O)nc2cc(NCCC[NH+]3CCCC3)c(Cl)cc12,-8.349 +MOL_02_023123,CN(Cc1[nH+]ccn1Cc1ccccc1)c1nc2c(cc1C[NH3+])CCCC2,-8.347 +MOL_01_025261,N[C@@H]([NH3+])c1cccc(-c2ccnc3c2C[C@](N)([C@H]([NH3+])CCC2CCCCC2)C3)c1,-8.346 +MOL_02_029775,[NH3+]C1CCN(c2cccc3nccn23)CC1,-8.346 +MOL_02_033002,[NH3+]Cc1ncn(-c2cnc3ccccc3n2)c1C[NH3+],-8.346 +MOL_02_009801,C[NH2+][C@H]([O-])C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)C[NH2+]1,-8.345 +MOL_01_032657,CCc1cc(N)cc2c(CN[C@@H](Cc3ccccc3)[C@H](C)[NH3+])c(C)ccc12,-8.342 +MOL_01_031965,CNc1cccc(NC)c1[C@H]([NH3+])CCc1cccc2ccccc12,-8.342 +MOL_02_006326,C[C@@H]1[C@H]2Cc3ccccc3[C@@H]1N[C@@H](NC[NH3+])[NH2+]2,-8.341 +MOL_01_028178,Cc1cc(-c2ccc(N[C@H]([NH3+])[C@H](C)c3cccc(F)n3)cc2C[NH3+])ccn1,-8.34 +MOL_01_027147,Cc1nn(-c2ccccc2)c(C)c1[C@H]([NH3+])CC[C@H]([NH3+])Nc1ccc2c(c1)CCC2,-8.339 +MOL_02_007667,CCO[C@H](O)[C@H](Cc1ccc(O)cc1)N[C@H](O)C1([NH2+][C@H](O)[C@H](C[C@H](O)COC)C(C)C)CCCC1,-8.339 +MOL_01_025435,CCCc1ccccc1[N+]1=C(N)C[C@H](C(=[NH2+])N2CCc3ccccc3C2)C1,-8.338 +MOL_02_009478,CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C)c3)cn2CC[NH+](CC)CC)CC1,-8.337 +MOL_02_003237,CC[C@H](O)O[C@H]1[C@H](O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COC(O)(O)NC(O)(O)O,-8.336 +MOL_01_032762,[NH3+]Cc1cc2c(cc1CCCC[NH+]1CCCCC1)C(=O)CC2,-8.334 +MOL_02_024378,[NH3+][C@@H]1NCN(CCCCO)n2c(-c3ccncc3)ccc21,-8.332 +MOL_02_000676,C[C@@H]1N(N[C@H](O)c2ccccc2)[C@@H](C[C@H]([NH3+])O)[C@@H](O)N1c1ccccc1,-8.332 +MOL_02_024390,Cn1nccc1-c1ccc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(Cl)c2)c(Cl)c1,-8.33 +MOL_02_005605,[NH3+][C@H](NO)NNCc1ccccc1Cl,-8.33 +MOL_02_009213,Cc1ccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4C[NH3+])CC3)[nH+]2)cc1C,-8.33 +MOL_02_009411,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(C(Cl)Cl)c2)[nH]1,-8.329 +MOL_01_029823,N[C@H](c1ccc(CCc2cccnc2)o1)[NH+]1CCC(c2cccc(C[NH3+])c2)CC1,-8.328 +MOL_01_027522,NOCCn1c(CCc2ccc(ON)c(F)c2)nnc1-c1ccncc1,-8.327 +MOL_02_000212,Cc1ccc(N2CC[NH+](C[C@H](O)COc3cccc4ccccc34)CC2)cc1C(N)(O)O,-8.327 +MOL_01_031047,[NH3+][C@H](NCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccnc1,-8.323 +MOL_02_035885,[NH3+]C[C@H](O)N1CCc2cccc(OC[C@@H]3CCCN3c3ccnc4ncnn34)c2C1,-8.321 +MOL_02_021151,CC[C@H](CN[NH3+])[C@H](C)[N@H+]1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1,-8.321 +MOL_02_004472,[NH3+][C@H](NNCc1c(O)cc(O)cc1O)c1ccncc1,-8.321 +MOL_02_009684,CO[C@H](O)c1cc(Cl)ccc1N[C@H](O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-8.321 +MOL_02_034193,Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(C[NH3+])c2)cn1,-8.32 +MOL_01_029815,Cc1cncc(CCc2ccc([N+]3=C(N)CC(C)(C)C3)nc2)c1,-8.319 +MOL_01_029819,CCc1ccc2c(CC)ccc([C@H]([NH3+])C[C@H]([C@@H](N)[NH3+])C3(C)CC3)c2c1,-8.319 +MOL_02_005885,OC(O)c1ccc(N[C@@H](O)c2cccc([C@@H](O)Nc3ccc(C(O)O)cc3)[nH+]2)cc1,-8.319 +MOL_02_019620,CC[NH2+][C@H](NCCc1nnc2ccccn12)NCc1ccc(N2CCC[C@H]2O)cc1,-8.318 +MOL_02_009568,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2ccc(-c3c(C)cnn3C)o2)cc1,-8.318 +MOL_02_036918,[NH3+][C@@H]1CCCN(c2cc(-c3cnc4ccc(C(Cl)Cl)nn34)ncn2)C1,-8.318 +MOL_01_026820,Cc1ccc([C@H](C)C[NH2+]C(C)(C)Cc2cc(F)cc(F)c2)c2c1NC(=O)CC2,-8.317 +MOL_01_025029,[NH3+]Cc1nc2nc(C(=O)c3ccccc3)cn2c2c1NN[C@H]([NH3+])N2,-8.317 +MOL_02_004315,CC1(C)C[NH2+]c2c(cccc2C(O)(O)N[C@H](CCCN[C@@H](N)[NH3+])[C@H]([O-])[NH+]2CCC(CC(Cl)Cl)CC2)C1,-8.316 +MOL_01_027613,Cc1cc(CC[C@H](O)Nc2ccccc2[C@H]([NH3+])O)c2c(C)cc(O)cc2c1,-8.315 +MOL_02_011633,Nc1nccn2c([C@@H]3CC[NH2+]C3)nc(Cl)c12,-8.314 +MOL_01_029508,NC(=[NH2+])c1ccc(Cc2ccc3c(c2)CC[N@@H+](CCCc2ccccc2)C3)nc1,-8.313 +MOL_01_027183,O=C(N[C@@H](CO)Cc1ccc(O)cc1)c1cccnc1Cc1ccc(Nc2ccccn2)cc1,-8.309 +MOL_01_027520,Nc1ccc2cccc(CC(=[NH2+])C[C@H]3CC(N)(N)Oc4cc(F)ccc43)c2c1,-8.305 +MOL_01_032503,[NH3+]Cc1cc(CCC(=O)CCC(=O)Nc2c(F)cccc2F)cc(C[NH3+])c1C[NH3+],-8.305 +MOL_02_023130,[NH3+]Cc1ccc(N2CCN(c3cncc4ncnn34)CC2)nc1,-8.303 +MOL_01_029471,Cc1ccc([C@H](C)CC[C@H](C)N2[NH2+]NNN[NH2+]2)c2c1=NC(=O)C=2,-8.303 +MOL_01_028556,CCc1[nH+]c(C)c(CC[C@H]([NH3+])CO)c2cc(CO)c(CO)cc12,-8.301 +MOL_02_016342,CCn1cc[nH+]c1CN1CCN(c2ncnc3ccccc23)CC1,-8.301 +MOL_02_027821,Nc1cc(N2CC[C@@H]([NH3+])C2)nc2c(CCCO)cnn12,-8.3 +MOL_02_012239,Cc1ccc(-c2ccccc2C[NH+]2CCN(CCCn3cnc4ccccc43)CC2)cc1,-8.299 +MOL_02_033053,[NH3+]Cc1ncn(-c2ccc3nccnc3n2)c1C[NH3+],-8.296 +MOL_01_028012,COc1ccc(Cn2c[nH+]c([C@H](O)Nc3cc(OC)ccc3OC)c2N)cc1,-8.295 +MOL_02_009313,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cc(Cl)c(Cl)c(Cl)c2)[nH]1,-8.295 +MOL_02_030485,[NH3+]Cc1ccccc1C1CC[NH+]([C@H]([O-])[C@@H]2CCn3ncnc3C2)CC1,-8.295 +MOL_02_030367,Cc1nc2ncnn2c(N2CCC[C@@H]([NH+](C)C)C2)c1C,-8.294 +MOL_02_004731,C[NH2+][C@H]([O-])c1ccc(N[C@H](O)CN2c3cccc4cccc(c34)C2(O)O)cc1,-8.294 +MOL_01_024897,Cc1cccc(N2CCN([C@H]([NH3+])c3cc4c(N)n(C)c5ccccc5c-4c3)C[C@@H]2C)c1,-8.294 +MOL_02_009049,O=c1cc(N2CCOCC2)nc(C(Cl)(Cl)[C@H](O)Nc2ccc(Cl)cc2)[nH]1,-8.293 +MOL_01_028528,COc1ccc(-c2cccc(CN[C@H](Cc3cccc(C[NH3+])c3)C(=[NH2+])N3CCC(CC[NH3+])CC3)c2)cc1,-8.292 +MOL_02_005749,CCc1ccc([C@@H]2[C@@H](C[NH3+])[C@@H]([NH3+])C[C@@H]([NH3+])[C@H]2C[NH3+])cc1,-8.291 +MOL_02_026848,Nc1ncc(C2CC[NH+]([C@H](O)CCCc3nn4cccc4c(=O)[nH]3)CC2)cc1C[NH3+],-8.291 +MOL_02_030447,CCc1cc(N2CC[C@@H](CNc3ncccc3C[NH3+])C2)n2ncnc2n1,-8.291 +MOL_01_031200,CCc1ccc2cccc(CC[NH2+][C@H](O)C3C[NH+]([C@H]([O-])c4cc(NC)cc(NC)c4)C3)c2c1,-8.29 +MOL_01_027303,CN(C)C(=[NH2+])Cc1ccc(C[C@@H](Nc2ncncc2-c2ccncc2)C(N)=O)cc1,-8.289 +MOL_02_001880,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CC[C@@H](CC[NH3+])CCCCC[NH2+]CCC[NH3+])[C@H](O)[C@@H]1O,-8.289 +MOL_01_031975,[NH3+]Cc1cccc(NCC[NH2+]CCN2[C@H]([NH3+])c3cccc4cccc(c34)[C@@H]2[NH3+])c1,-8.286 +MOL_02_029528,[NH3+]Cc1cccc(-c2cc(-n3c4c(c5cccnc53)CCCC4)nc(-n3c4ccc(C[NH3+])cc4c4cc(C[NH3+])ccc43)c2)c1,-8.286 +MOL_02_009790,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(C3CC3)c2)[nH]1,-8.282 +MOL_02_032223,O=c1cc(CCC[C@H](O)Nc2cccc(N3CCOCC3)c2)[nH]c2cccn12,-8.282 +MOL_02_009009,CC(C)(C)c1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-8.281 +MOL_02_018317,[NH3+]Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c(C[NH3+])c1,-8.281 +MOL_02_031694,Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)nc1N(N)Cc1ccc2nccn2c1,-8.281 +MOL_02_037411,[NH3+]C[C@H](c1nnc2n1CCCCC2)[C@H](O)C[NH+]1CCN(c2ccccn2)CC1,-8.28 +MOL_02_012221,Cc1cc(Nc2ccc(N3CCC(O)CC3)c(C[NH3+])c2)n2ncnc2n1,-8.28 +MOL_02_014940,Nc1c(C[NH3+])c([C@H](C[NH3+])Cc2cc3ccccc3nc2N2CCCCC2)nn1-c1ccccc1,-8.279 +MOL_02_031128,Cc1ccc([C@H](CN2CC[NH2+]CC2)[C@H](O)[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1,-8.279 +MOL_01_026045,C[N+]1=C(N)Cc2ccc(-c3ccc(C[C@H](C[NH3+])NC(=[NH2+])[C@]45CC[C@H](CC4)C[NH2+]5)cc3)cc21,-8.278 +MOL_02_017237,Cc1nc2cnccc2n1-c1ccc(Cl)c(C[NH3+])c1,-8.277 +MOL_02_018299,Cc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(CCCn2cnc3ccccc32)CC1,-8.276 +MOL_02_006516,O[C@H](NN1[C@H](Cc2ccc(N(O)O)o2)CCC[C@@H]1O)c1ccncc1,-8.275 +MOL_02_008342,O[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[N@@H+]1CCC[C@@H]2C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21,-8.275 +MOL_01_030434,Cc1cccc(CCC[C@H]([NH3+])N(C)C[C@H]([NH3+])Nc2cccc3ccccc23)c1,-8.274 +MOL_01_032947,C[C@]([NH3+])(N[C@H]([NH3+])Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2,-8.272 +MOL_02_017813,[NH3+]Cc1cccc(-c2cc(-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ncccc43)c2)c1C[NH3+],-8.272 +MOL_01_028550,NC1=[N+](c2cccc(F)c2)C[C@@]2(CC[N@H+](Cc3ccc(C[NH3+])cc3)C2)C1,-8.271 +MOL_01_030097,N/C(=[NH+]\[C@@H](Cc1cccc(Cl)c1)C(=[NH2+])NCC[NH3+])c1cccc2c1CCCC2,-8.271 +MOL_01_027356,CCCc1ccccc1N1CCN([C@H]([NH3+])c2cc3ccccc3cc2C[NH3+])CC1,-8.27 +MOL_02_005121,N[C@H](O)c1cccc2c(N[C@@H](C[NH2+]N[NH3+])c3ccccc3)ncnc12,-8.268 +MOL_02_035975,[NH3+]Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1nc(C[NH3+])ccc1C[NH3+],-8.267 +MOL_01_026851,NCc1c(N2CCC[C@@H](c3ccccc3)C2)cc[n+](CC[C@@H](N)[NH3+])c1N,-8.267 +MOL_02_009338,Cn1nccc1-c1coc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(Cl)c2)c1,-8.266 +MOL_01_025877,Cc1[nH+]ccn1CCCCNC(=[NH2+])c1ccc2nc3ccc(C(C)C)cc3c(N)[n+]2c1,-8.265 +MOL_02_004823,Cc1ccc([C@H](C)N[C@H](O)C2([NH3+])CCN(c3ncnc(N)c3C)CC2)cc1,-8.263 +MOL_02_030703,Cc1nc2ncnn2c(N2CCC[NH2+][C@@H](O)C2)c1C,-8.262 +MOL_02_033500,[O-][C@@H]1c2ccccc2C[N@H+]1CCC[C@@H](O)Nc1ccc2ncnn2c1,-8.261 +MOL_02_007050,Nc1c(C[NH3+])c([C@H](C[NH3+])Cc2ccc(-c3ccccc3N(O)O)o2)nn1-c1ccccc1,-8.261 +MOL_01_025091,Nc1c2n(c3cc(O)ccc13)C[C@H](O)CN[C@@H]2O,-8.26 +MOL_02_030752,[NH3+]Cc1cc(N2c3ccccc3C[N@@H+](CC3CCN(c4cccc5n[nH]c(=O)n45)CC3)[C@H]2[O-])ccn1,-8.26 +MOL_02_009757,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(OC(Cl)(Cl)Cl)c2)[nH]1,-8.259 +MOL_02_018123,CC1CCN(c2cc(C[C@H](C[NH3+])c3nn(-c4ccccc4)c(N)c3C[NH3+])c3ccccc3[nH+]2)CC1,-8.259 +MOL_02_032947,[NH3+]Cc1ncn(-c2nccc3ccccc23)c1C[NH3+],-8.259 +MOL_01_032729,NC(N)([NH3+])c1ccc([C@H]([NH3+])Cc2ccc(Oc3cccnc3)nc2)cc1,-8.256 +MOL_02_014291,COc1ccccc1N[C@H](O)[NH2+]C1CCN(c2ncnn3cccc23)CC1,-8.256 +MOL_02_019403,[NH3+][C@H]1[C@@H]2CCC[C@H]1C[C@H]([C@H](O)[NH2+]Cc1cccnc1-n1ccnc1)C2,-8.256 +MOL_02_024512,Nc1cc(-c2cc(Nc3ccc(N4CCOCC4)nn3)c3nccn3c2)ccc1C[NH3+],-8.254 +MOL_02_007162,Cc1nn(C2CCCC2)c(C)c1C(O)(O)N[C@H](C)COc1cccc2cnccc12,-8.254 +MOL_02_009646,Cc1cnn(C)c1-c1cc([C@H](O)N[C@@H]2C[NH2+][C@@H](CCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1C,-8.253 +MOL_02_032255,O[C@@H]1C[C@@H](C[C@H](O)N2CCc3c(N4CCOCC4)cccc32)N[C@@H]([NH+]2CCOCC2)C1,-8.253 +MOL_02_009252,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(C3CC3)c2)[nH]1,-8.252 +MOL_02_036092,[NH3+]Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(C[NH3+])ncc1C[NH3+],-8.252 +MOL_01_031322,[NH3+][C@@H](CN1Cc2ccccc2[C@@H]1[NH3+])NCCCCc1cccc(Cl)c1,-8.25 +MOL_02_001415,Cn1cc(-c2ccc3c(c2)CC[NH2+][C@H]3NO)c(-c2ccncc2)n1,-8.249 +MOL_02_004118,C[N@H+]1[C@@H](O)CC[C@]12CC[C@@H]([NH2+][C@H](O)NCc1cccnc1)CC2,-8.249 +MOL_02_018228,Nc1ccc(-n2cnc3ccccc32)nc1C[NH3+],-8.248 +MOL_01_028016,[NH3+]Cc1ccc(C[NH2+]CC2(c3cccc4cc(F)ccc34)CC2)cc1N1CC[NH2+]CC1,-8.248 +MOL_01_033032,Nc1ccc([C@H]([NH3+])[C@H]2CN[C@]3(N[C@H](C4CCCCC4)N3)[NH2+]C2)cc1,-8.247 +MOL_02_009399,Nc1nc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1C[NH3+],-8.246 +MOL_02_032113,Nc1ccc2ncnc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1,-8.246 +MOL_01_031591,[NH3+]CCCCN[C@H]([NH3+])CC[C@H]([NH3+])c1ccc(-c2ccccc2)cc1,-8.245 +MOL_02_017446,Nc1ncccc1-c1cncn1-c1cccc(Cl)c1C[NH3+],-8.245 +MOL_02_019520,CCc1cnc(N2CCC(c3ncc4c(Nc5ccc(-n6cncn6)nc5C)nccn34)CC2)nc1,-8.244 +MOL_02_026252,Cc1ccc(N2CCC([NH2+]CCO)CC2)n2ncnc12,-8.244 +MOL_01_030155,Cn1ccc2cc(C(=O)c3ccc(C[NH3+])c(C[NH3+])c3C[NH3+])ccc21,-8.243 +MOL_02_016526,Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1CC[NH2+]C1,-8.242 +MOL_02_006004,N[C@@H]([NH3+])NCCN[C@H](O)[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)C[N@H+]1[C@H]([O-])[C@H](Cc1ccccc1)N[C@H](O)C1CC[NH2+]CC1,-8.242 +MOL_02_005056,O[C@H](CCN1[C@H](O)c2ccccc2[C@@H]1O)[NH2+]Cc1ccc(Cl)cc1,-8.241 +MOL_02_000650,CCCN([NH2+][O-])[C@H](O)[NH2+]CCC[C@H]([NH2+][C@H](C)O)[C@H](O)NCc1ccccc1,-8.237 +MOL_01_025374,[NH3+]Cc1cccc(-c2nnc3n2N=C(c2cc(C[NH3+])ccc2C[NH3+])CC3)c1,-8.236 +MOL_02_006487,N[C@@H]([NH3+])Nc1ccc([C@H]([O-])[NH2+]CC[C@H](O)[NH2+][C@H](CC(O)O)[C@H]([O-])[NH2+][C@H](Cc2cccc3ccccc23)C(O)O)cc1,-8.234 +MOL_02_009325,CCc1c(N)ncnc1N1CCC(c2[nH+]c(-c3cccc(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCC2)CC1,-8.234 +MOL_02_002219,CC1(c2ccc(Nc3nn([C@@H]4CC[C@@H](O)C[C@H]4C[NH3+])cc3[C@H]([NH3+])O)cc2)COC1,-8.233 +MOL_02_023072,[NH3+]Cc1cnn([C@@H]2CCN(c3ncnc4c3CCC4)C2)c1,-8.233 +MOL_01_029652,Cc1ccc([C@H]([NH3+])c2cc3c(cc2N[C@H]([NH3+])c2cccc(C[NH3+])c2)CCCC3)cc1,-8.233 +MOL_02_026271,[NH3+]C[C@@H]1CN(CCCn2c(=O)[nH]c3ccccc32)CCN1c1cnccn1,-8.231 +MOL_01_031851,[NH3+][C@H](Nc1ccc([C@H]([NH3+])N2CC[NH+](CC3CCCCC3)CC2)cc1)N1Cc2ccccc2C1,-8.231 +MOL_01_030059,[NH3+]Cc1cc(CCc2ccc(C3=Cc4ccccc4C4=CCC[C@H]34)cc2)cc(C[NH3+])c1C[NH3+],-8.231 +MOL_01_028463,[NH3+][C@@H]1c2ccccc2-c2cccc([C@@H]([NH3+])Nc3ccc(F)c(Cl)c3)c21,-8.23 +MOL_02_013392,Cc1cc([C@H](C)[NH3+])cc(-n2cnc3cc(C)c(C)cc32)n1,-8.23 +MOL_02_007046,N[C@@H]([NH3+])NCCC[C@H]([NH2+][C@H](O)C1CC1)[C@@H](O)N[C@@H](CCCC[NH3+])[C@H](O)N[C@H](c1ccc(OCc2ccccc2)cc1)[C@H]([NH3+])[O-],-8.229 +MOL_02_009358,[NH3+]Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccccc34)CC2)cc1,-8.229 +MOL_02_006278,COc1ccc([C@H](O)N[C@@H]2CC[C@H]3[NH2+]CC[N@@H+]23)cc1,-8.227 +MOL_02_032286,O[C@@H]1CN([C@@H](O)CC[C@@H](O)[NH2+]Cc2ccc(-n3cncn3)nc2)c2ccccc2N1,-8.227 +MOL_02_031237,CCc1nc2n(n1)CCC[C@H]2N[C@H](O)c1cc(N2CCN[C@@H](O)C2)cc[nH+]1,-8.226 +MOL_02_031852,[NH3+][C@H](Nc1cc[nH+]cc1)c1ccc(Cn2ccc3ncccc32)c(Cl)c1,-8.226 +MOL_01_031958,[NH3+]Cc1ccc([C@H]([NH3+])NCc2cccc(-c3cccc(CN4CC[NH2+]CC4)c3)c2)cc1,-8.226 +MOL_02_006523,CN(c1ccccc1)[C@H](O)CC[NH2+][C@H](O)c1ccc(C(C)(O)O)c(N(O)O)c1,-8.225 +MOL_02_009688,CC[NH+](CC)C[C@@H]1CN([C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,-8.225 +MOL_02_021798,[NH3+]Cc1cccnc1N1CCC[N@H+](Cc2cnn3c2CCC3)CC1,-8.223 +MOL_02_009218,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(Cl)c2Cl)[nH]1,-8.222 +MOL_01_030939,CCNc1cc(C[C@H]([C@H]([NH3+])c2ccc(F)cc2)[C@](N)([NH3+])Cc2ccc(F)cc2)ccc1N,-8.221 +MOL_02_001276,Nc1c(C[NH3+])c2[nH+]c3ccccc3nc2n1CC[NH2+][C@H](O)Nc1ccccc1,-8.221 +MOL_02_029562,[NH3+]C1CC[NH+]([C@@H]2CCN(c3ncnc4c3CCC4)C2)CC1,-8.22 +MOL_02_035058,Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5[nH+]ccn5C)CC4)nc3)c3c(C[NH3+])cnn3c2)cn1,-8.218 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+MOL_01_026842,Cc1nc2c(N)cccc2cc1C[C@H](CC[NH3+])[C@H]([NH3+])c1cccc(Cl)c1,-8.209 +MOL_01_030154,C[NH+](C)CCCNC(=[NH2+])[C@H](Cc1ccc(Cl)cc1)NC(=[NH2+])C1(c2ccc(Cl)cc2)CC1,-8.208 +MOL_02_036127,Cc1ccc(C[NH3+])cc1-n1c(N)nc2cnccc21,-8.208 +MOL_01_026964,CC(=[NH2+])C[n+]1nc(-c2ccccc2)cc(NCCc2ccccn2)c1N,-8.207 +MOL_01_031136,[NH3+]Cc1ccc(C(=O)[C@H]2CCC=C2CCc2cccnc2)cc1C[NH3+],-8.207 +MOL_02_020165,Nc1c(C[NH3+])ccnc1N1CCn2cnnc2C1,-8.207 +MOL_01_026226,C[C@H]([NH3+])c1cc(Cl)ccc1N[C@H]([NH3+])c1cccc(-c2cnc3ccccc3c2)c1,-8.206 +MOL_02_011443,Nc1nccn2c([C@@H]3CCC[NH2+]C3)nc(Cl)c12,-8.203 +MOL_01_030015,[NH3+]Cc1cccc([C@H](O)Nc2cccc(Nc3cc4c(=O)[n-][nH]c(=O)c4cc3Cl)c2)c1,-8.203 +MOL_01_022430,[NH3+]CCN1CC[NH+](Cc2ccc(C[N-]C(=O)C3=C4C(=O)N=CN=C4C=C3)cc2)CC1,-8.202 +MOL_02_009351,Cc1ccc([C@H](C[NH2+]C(C)C)[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1Cl,-8.202 +MOL_02_034456,C[NH2+]C[C@@H]1COCCN1c1cc(C)nc2ncnn12,-8.202 +MOL_01_030960,CCc1cc(-c2cccc(OC)c2)c(O)c(CC[NH3+])c1O,-8.201 +MOL_02_021869,Cc1nccc(-c2cnc(N3CC[C@H](Cl)C3)c(C[NH3+])c2)n1,-8.2 +MOL_02_027560,C[NH2+]C[C@H](C[NH3+])[C@@H]1CC[C@@H]([NH3+])[C@@H]([C@H]([NH3+])c2cc(N3CCn4ncnc4C3)ncn2)C1,-8.2 +MOL_02_019179,Cc1cc(N2CCN(c3ccc(C[NH3+])c(C)c3)CC2)n2ncnc2n1,-8.199 +MOL_02_037084,CCCC[n+]1c(N2CC[NH2+]CC2)[nH]c2c1CN(CCc1ccccc1)[C@@H]([NH+](C)C)N2,-8.199 +MOL_02_004129,[NH3+]C[C@H](CCCc1ccccc1)[C@H](O)Nc1ccccc1,-8.198 +MOL_02_033406,O[C@H](Nc1ccc2c(c1)CCCO2)[NH+]1CCC(Cn2cncn2)CC1,-8.197 +MOL_02_001971,Cc1ccc(C(O)(O)N(C)C[C@@H]2Oc3ccc(N[C@H](O)Cc4cn(C)c5ccccc45)cc3[C@@H]([O-])[N@H+]([C@H](C)CO)C[C@H]2C)cc1,-8.196 +MOL_01_024575,Cc1cccn2cc(-c3cccc(CC(=O)c4cc(C[NH3+])c(C[NH3+])c(C[NH3+])c4)c3)nc12,-8.194 +MOL_02_022209,Cc1cc(N2CCC([NH2+][C@H](O)NCc3nnc4n3CCCCC4)CC2)nc(C)[nH+]1,-8.194 +MOL_02_031712,Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cccc3nccn23)CCC[N@@H+]1C,-8.194 +MOL_02_037484,O[C@@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH2+]Cc1cccnc1-n1cccn1,-8.194 +MOL_02_009515,Cc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1Cl,-8.193 +MOL_02_012628,CNc1ncc(-c2c(N)ncnc2N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CC[NH+](C)C)CC2)cn1,-8.193 +MOL_02_030129,Cc1cc(N2CCN(C)C[C@H]2C[NH3+])n2ncnc2c1,-8.19 +MOL_01_030618,CCCCCCCC1=N[C@@H]([NH3+])N[C@H](c2ccc(F)cc2)[C@H]1C[NH3+],-8.19 +MOL_02_002646,Cc1ccc(N[C@H](O)C[C@@H]2C[C@@H](Nc3ccccc3C)[NH2+][C@H]2O)c(C)c1,-8.188 +MOL_02_009407,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CC(C)C2)CC1,-8.188 +MOL_02_001046,Cc1ccc(C(Cl)(Cl)Cl)cc1N[C@H](O)[C@H](O[C@H](O)C[NH2+][C@H]([O-])c1ccc(N(C)C)cc1)c1ccccc1,-8.186 +MOL_02_005604,[O-][C@@]1(O)[NH2+][C@@H]([C@@H](O)NNCc2ccc(O)cc2O)[C@H](O)c2ccccc21,-8.185 +MOL_02_023222,CCc1cc(N2CCC[C@@H]([NH2+][C@H](O)N[C@@H]3CCc4ncnn4C3)C2)ncn1,-8.185 +MOL_01_030564,Nc1c([C@H]([NH3+])CCc2cccc(CCc3ccc4ccccc4n3)c2)cccc1[C@@H](N)[NH3+],-8.184 +MOL_02_012622,Nc1ccc(-c2cncn2-c2cccc(C[NH3+])c2)cn1,-8.184 +MOL_01_031898,[NH3+][C@H](CC[C@H]([NH3+])c1ccccc1)NCc1cccc(C(F)(F)F)c1,-8.183 +MOL_01_028516,N[C@@H]([NH3+])CCc1ccc(-c2ccc(Cl)cc2)cc1[C@H]([NH3+])c1cnn(-c2ccccc2)c1,-8.183 +MOL_01_031129,Cc1ccc(CCC(=[NH2+])C[n+]2cc[n+](-c3cc(C)cc(C)c3)c(N)c2N)cc1,-8.181 +MOL_02_008846,[O-][C@@H]([NH2+][C@@H](CO)C(O)O)[C@H](Cc1ccccc1)N[C@H](O)OCc1ccccc1,-8.181 +MOL_02_009219,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2C[C@@H]2CC[NH2+]2)CC1,-8.18 +MOL_02_031117,Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cnc3cnccn23)CCC[N@@H+]1C,-8.178 +MOL_01_030965,N[C@@H](c1cccc(C[NH3+])c1)[C@H]([NH3+])N1CCN(c2ccccc2)CC1,-8.177 +MOL_02_008243,CN[C@H](O)c1cc(Oc2ccc(NC(O)(O)c3ccc4ccccc4c3)cc2)ccn1,-8.175 +MOL_02_030880,C[NH2+][C@H](NCc1cccnc1-n1ccnc1)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-8.174 +MOL_02_005765,C[NH+](C)CCCOc1ccc([C@H]([NH2+][C@H](O)c2ccc(-c3cccc(N[C@H](O)c4ccccc4)c3)o2)[C@H](O)N2CC[NH2+]CC2)cc1,-8.173 +MOL_02_031483,C[C@H]([NH3+])c1cc(Cn2cnc3c(N)ncnc32)ccc1Cl,-8.17 +MOL_02_017395,C[NH2+]CC[C@@H]1CCCCN1c1cc(C)nc2ncnn12,-8.17 +MOL_02_000580,CC(C)[C@@H]([NH2+][C@@H](O)[C@@H](C)C[C@@H](O)[C@@H](Cc1ccccc1)[NH2+][C@@H]([O-])[C@@H](C)N[C@@H](O)[C@@H]([NH3+])C(C)C)[C@H](O)NCc1ccncc1,-8.17 +MOL_01_028142,NC(=O)c1ccc(CC(=O)CCC(=O)Cn2cnc3ccccc32)cc1,-8.169 +MOL_02_006909,Cc1ccc2c(c1)[C@@H](c1ccccc1)N([C@H]([NH3+])O)C[C@@H](O)N2C,-8.169 +MOL_02_012862,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CC[NH+]3CCC3)CC2)c1C(C[NH3+])C[NH3+],-8.169 +MOL_01_032908,C[C@@H]1Cc2c(C[NH3+])ccc(C[NH3+])c2C[C@H]1[NH2+]CCCCc1ccccc1,-8.168 +MOL_02_020010,Cc1cccc(-n2nc(C[NH3+])c(N3CCc4ccccc4C3)n2)c1C,-8.168 +MOL_02_003421,Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](O)Nc1ccc2c(c1)N(C)[C@@H](O)CC2,-8.167 +MOL_02_002039,Cc1ccc(N[C@H](O)C[C@H]([NH3+])NO)cc1C,-8.166 +MOL_02_009907,CCCC[NH2+]CCn1cc(-c2ccnc(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2Cl)CC1,-8.166 +MOL_02_034328,Nc1ncnc2c1ncn2Cc1ccccc1C[NH3+],-8.165 +MOL_01_029806,CCc1ccc(Cl)cc1N[C@H]([NH3+])CN(C)[C@H]([NH3+])c1ccc(-n2cncn2)cc1,-8.165 +MOL_02_016884,Cc1cccc(N2CC[NH+](CCCn3cnc4c(N)ncnc43)CC2)c1,-8.165 +MOL_01_027072,NC(=[NH2+])C[C@H](NCc1ccccc1)c1ccc(Cl)cc1Cl,-8.164 +MOL_01_031756,CCN(Cc1c2ccccc2c(Cl)c2ccccc12)C(=[NH2+])[C@@H]([NH3+])CCCC[NH3+],-8.163 +MOL_02_003225,COc1cc(CC[C@H](O)OC[C@@H]2O[C@@H](O[C@@H]3OC[C@@H](C(O)O)[C@@H]4CC[C@@H](C(O)O)[C@H]34)[C@@H](O)[C@@H](O)[C@H]2O)ccc1O,-8.163 +MOL_02_021988,CC[N@H+]1CCC[C@@H](n2c(C)c(C)c3c(N)ncnc32)C1,-8.163 +MOL_02_031367,CNc1cc(N2CC[C@@H]([NH3+])C2)ncn1,-8.161 +MOL_02_009096,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(C(Cl)(Cl)Cl)c2)[nH]1,-8.161 +MOL_02_019247,[NH3+]Cc1ccc2ncc(C[NH2+][C@@H]3CCN(c4ccccc4Cl)C3)n2c1,-8.16 +MOL_01_028695,N[C@@H]([NH3+])c1ccccc1CC[C@H]([NH3+])N1CCCc2ccccc21,-8.16 +MOL_02_013546,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN([C@H](O)[C@H](C[NH2+]CC4CC4)c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21,-8.159 +MOL_02_004713,Cn1cc([C@H]2[C@H](c3cn(CCC[NH+](C)C)c4ccccc34)[C@@H](O)[NH2+][C@H]2[O-])c2ccccc21,-8.158 +MOL_02_017292,Cn1ncc2c(NC[C@@H]3CCC[N@H+](CCO)C3)nc(-c3ccncc3)nc21,-8.158 +MOL_02_019259,O=c1[nH]nc2cc(N3CC[NH+](CCO)CC3)ncn12,-8.158 +MOL_02_036628,c1cnc(-n2nc(Cn3cnc4ccccc43)c3c2CC[NH2+]C3)nc1,-8.158 +MOL_01_030373,CC[C@H]1CCCCN1C[C@H]([NH3+])Nc1cc(C[NH3+])c(C[NH3+])cc1C[NH3+],-8.157 +MOL_02_009006,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3nc[nH+]c4c3CC(O)(O)C4)CC2)cc1,-8.157 +MOL_02_025161,[NH3+]Cc1cccc(Cl)c1N1CCN(c2ccncn2)CC1,-8.157 +MOL_01_031183,CC[N+]1=C(N)[C@H](/[NH+]=C(\N)Cc2ccccc2)[C@@H]1/N=C(\N)c1ccccc1,-8.156 +MOL_02_003852,CCCC[C@H](Cc1ccc(Cl)cc1)[C@H](O)OC[C@H]([NH2+][C@H](O)[C@H](CCC)C[C@H](O)[NH2+]CCO)c1ccccc1,-8.155 +MOL_01_027066,Cc1ccnc2c(NCC[C@@H](N)[NH3+])cc(C[NH3+])c(Cc3cccc(C(F)(F)F)c3)c12,-8.154 +MOL_01_029517,CN[C@H]([NH3+])c1cccc(N[C@H]([NH3+])N2CCC(Cc3cc(F)ccc3Cl)CC2)c1,-8.151 +MOL_02_018011,Cc1ccc([C@H](C[NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1Cl,-8.151 +MOL_02_012237,[NH3+]Cc1ccc2c3ccc(C[NH3+])cc3n(-c3ccc(-c4cnc(C[NH3+])nc4)cc3C[NH3+])c2c1,-8.15 +MOL_02_014158,Cc1ccc2c(N3CC[NH+](CCc4cccc(-n5cc[nH]c5=O)c4)CC3)cccc2n1,-8.15 +MOL_02_011477,Nc1cc(N2CCn3[nH+]c(CNc4cnccn4)cc3C2)ncn1,-8.149 +MOL_01_028873,Nc1ccccc1CC[C@@H]([NH3+])Nc1ccc(CC[N@@H+]2CCc3cc(C[NH3+])c(C[NH3+])cc3C2)cc1,-8.149 +MOL_02_029767,c1ccc2c(CC[N@@H+]3CC[N@@H+]4CC[C@@H](c5ccncn5)N[C@@H]34)cccc2c1,-8.149 +MOL_01_024871,CCNC(=[NH2+])c1cccc(-c2c3c(c(N)c4ncccc24)C(N)=[N+](Cc2ccc(F)cc2)C3)c1,-8.149 +MOL_01_026885,[H]/N=C(/NCCC[NH+]1CCC(c2ccc(F)cc2)CC1)[N+]1=C(N)C[C@H](C)[C@H]1c1ccc(F)c(F)c1,-8.149 +MOL_01_029681,C[N@@H+]1CCc2cc(C[NH3+])c(C[NH3+])cc2[C@H]1CCc1ccc(Cl)cc1,-8.148 +MOL_01_030829,[NH3+]CCCc1ccc2c(c1)CCC(C(=O)C[C@H]([NH3+])Cn1ccnc1)=N2,-8.148 +MOL_02_030302,Cc1cc(N2CCN(C[C@H](C)[NH3+])CC2)n2ncnc2n1,-8.148 +MOL_02_002968,O[C@H](Cc1cccc(Cl)c1)NCC[NH2+]Cc1ccc2c(c1)CCO2,-8.146 +MOL_01_028913,C=C(CC1N[NH2+]N[NH2+]N1)c1ccc2c(c1)[C@H](CCC)C(=C)[C@](N)([NH3+])C2,-8.145 +MOL_02_009692,CC(C)(C)O[C@H](O)n1ccc2c(N[C@H](O)Cc3nc(N4CCOCC4)cc(=O)[nH]3)cccc21,-8.145 +MOL_02_015152,Cc1ccc(C[NH3+])c(N2CCC[C@@H](Cc3nnc4ccccn34)C2)n1,-8.144 +MOL_01_030513,Cc1cnc(=O)[nH]c1CC[C@H](O)Nc1cc(C(F)(F)F)ccc1Cl,-8.144 +MOL_02_033703,C[N@H+]1CCc2c(cc3ncn(CC[NH+]4CCN(c5cccc6ccccc56)CC4)c(N)c2-3)C1,-8.143 +MOL_02_009694,CCc1c(N)ncnc1N1CCC(c2nc(-c3cncc(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCC2)CC1,-8.141 +MOL_02_031029,O[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)[C@@H]1C[C@@H](O)N(c2ccc3c(c2)CCC3)C1,-8.141 +MOL_01_032075,CC[C@@H](C[C@@H]([NH3+])c1cc(C[NH3+])nn1C)c1ccc(Cc2ccccc2)cc1,-8.14 +MOL_02_012820,Nc1ccc(-c2cncn2-c2ccc(C[NH3+])cc2)cn1,-8.14 +MOL_02_013108,Cc1cc(-c2cn(CC[NH+](C)C)c(C3CCN(c4ncnc(N)c4C)CC3)[nH+]2)ccc1Cl,-8.14 +MOL_02_019086,Cc1nc2ncnn2c(N2CCN(c3nc4c(cc3C[NH3+])CCC4)CC2)c1C,-8.138 +MOL_02_006584,[NH3+]C[C@H](NN[C@H](O)Cc1ccccc1)c1cccc(O)c1,-8.138 +MOL_02_024427,Nc1ncc([C@H](C[NH3+])CNCCO)nc1NCc1ccn2nccc2c1,-8.137 +MOL_01_027797,[NH3+]Cc1ccc(C[NH3+])c(Nc2c(C[NH3+])cnc3ccc(Cl)cc23)c1,-8.137 +MOL_02_014159,O=c1[nH]c2ccccc2n1CCCCC[NH+]1CCN(c2ccccc2)CC1,-8.137 +MOL_01_029544,[NH3+][C@H](CCc1cccc2cccnc12)N1CCc2ccccc2C1,-8.136 +MOL_02_022137,Nc1ncnc2c1ccn2N[C@@H]1NCC[N@H+]1CCO,-8.136 +MOL_01_029052,N[C@@]1([NH3+])Cc2ccc(F)cc2[C@@H](C[C@H]([NH3+])Cc2ccccc2)N1,-8.135 +MOL_01_027099,[NH3+][C@H](CC[C@H]([NH3+])NCCc1ccccc1)Cn1cnc2ccccc21,-8.134 +MOL_01_031198,CC(C)[NH2+]Cc1cc(-c2cccc(N[C@H]([NH3+])c3cccc(Cl)c3)c2)ccc1C[NH3+],-8.134 +MOL_01_026037,N[C@@H]([NH3+])n1cnc2c(NCc3ccccc3)cc(C[C@@H](C[NH3+])CC[NH3+])cc21,-8.133 +MOL_02_009663,Cc1ccc([C@H]([NH2+]C(C)(C)C)c2ccc(-c3ccncc3)cc2)cc1,-8.133 +MOL_02_016155,C[C@@H](Cn1cnc2c(N)ncnc21)C[NH+]1CCN(c2ccccc2)CC1,-8.131 +MOL_02_012367,[NH3+]Cc1cnc(-c2ccc(-n3c4cc(C[NH3+])ccc4c4ccc(C[NH3+])cc43)c(C[NH3+])c2)nc1,-8.129 +MOL_02_000395,Cn1nc([C@H](O)Nc2ccccc2C[NH3+])c2c1-c1ccccc1CC2,-8.128 +MOL_01_030008,[NH3+]CC1=C(CCc2ccc(O)cc2)C[C@]2(CC[C@@H](C(=O)[O-])CC2)NC1=O,-8.127 +MOL_02_018953,Nc1nc2cnccc2n1-c1cccc(C[NH3+])c1,-8.126 +MOL_02_024200,CC[NH2+][C@H](NCc1nnc2n1CCCC2)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1,-8.126 +MOL_02_037086,[NH3+]Cc1cnc2c(NC3CC3)cc(Nc3ccc(N4CCOCC4)c(N(C[NH3+])C[NH3+])c3)nn12,-8.126 +MOL_02_008958,CC(C)(C)[C@H](O)CN1c2ccccc2N(C2CCCCC2)[C@@H](O)N(C[C@H](O)Nc2cccc(CCC(O)O)c2)[C@H]1O,-8.125 +MOL_02_036055,[NH3+]Cc1cc(C[NH3+])c(-n2c3ccccc3c3cc(-c4ccccc4)[nH+]cc32)c(C[NH3+])c1,-8.124 +MOL_02_033621,C[NH2+]C[C@@H]1CCCN(c2ccn3nccc3n2)C1,-8.124 +MOL_02_020595,O[C@H]([NH2+]CCCN1CCCc2ccccc21)C1CCN(c2nnc3ccccn23)CC1,-8.124 +MOL_02_009227,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCC2)CC1,-8.124 +MOL_02_008525,CC[C@H](O)Nc1ccc([C@H](O)Nc2cc(Oc3ccc4c([C@H](O)[NH2+]C)cccc4c3)cc[nH+]2)cc1,-8.123 +MOL_02_009798,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)cc2Cl)[nH]1,-8.123 +MOL_02_020237,Cc1cc(N2CCN(c3ccc(C[NH3+])cn3)CC2)n2ncnc2n1,-8.123 +MOL_02_024263,Cn1nccc1-c1ccc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2cc(Cl)cc(Cl)c2)c(Cl)c1,-8.123 +MOL_02_014978,Nc1nccn2c1c(Cl)nc2[C@H]1C[C@H]([NH+]2CCNCC2)C1,-8.121 +MOL_02_009112,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc(N)c3Cl)CC2)cc1,-8.12 +MOL_02_019302,C[C@H](Nc1cncc(-n2cnc3ccc(C[NH3+])cc32)n1)c1cccnc1,-8.12 +MOL_02_006635,N[NH2+]NC[C@@H]1C[C@@H](c2ccc(N3CCOCC3)cc2)ON1,-8.119 +MOL_01_028141,Cc1ccc(OC[C@@](C)(O)[C@H]([NH3+])Cc2ccc(CO)c(C(F)(F)F)c2)cc1,-8.118 +MOL_01_031552,[NH3+][C@H](Nc1cccc(C[NH+]2CCC([C@H]([NH3+])NC3CCCCC3)CC2)c1)C1CCCC1,-8.118 +MOL_02_009700,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cc(Cl)c(Cl)cc2Cl)[nH]1,-8.117 +MOL_02_009499,Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(Cl)(Cl)Cl)c4)cn3CC[NH+]3CCC3)CC2)c1OCC(Cl)(Cl)Cl,-8.116 +MOL_02_032284,O[C@H]([NH2+]Cc1cccc(N2CCCC[C@H]2O)c1)C1CCN(c2ccc3nncn3n2)CC1,-8.116 +MOL_01_029665,[NH3+][C@@H]1c2c(F)c(F)c(F)c(F)c2[C@H]([NH3+])N1C1Cc2ccccc2C1,-8.115 +MOL_01_030427,Cc1c(CN2CC[N@@H+](Cc3ccc(NN)cc3N)C[C@@H]2CC[NH3+])ccc(NN)c1C,-8.114 +MOL_02_024580,c1cc2c(c(C[NH+]3CCC(c4nnc5cnccn45)CC3)c1)CC[NH2+]C2,-8.114 +MOL_02_035818,[NH3+]Cc1ccc([C@H]([O-])[NH+]2CCC(n3c(=O)[nH]c4cncnc43)CC2)cc1,-8.113 +MOL_02_009919,Cc1cc(Cl)ccc1N[C@H](O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-8.113 +MOL_01_032570,Cc1ccc2cc(-c3cccc(C[NH3+])c3)cc(O)c2c1,-8.113 +MOL_02_026737,Cc1nn(C)c2ncc(N[C@H](O)[NH+]3CCN(c4ccccc4O)CC3)cc12,-8.112 +MOL_02_030708,Cc1nc(N2CCC[C@@H](CCO)C2)cc2n[nH]c(=O)n12,-8.111 +MOL_02_036173,[NH3+]Cc1ccc(-n2cnc3ccccc32)c(C[NH3+])c1,-8.111 +MOL_02_001359,Cn1cc([C@H]2[C@H](c3cn(CCCC[C@@H](N)[NH3+])c4ccccc34)[C@H]([O-])[NH2+][C@@H]2O)c2ccccc21,-8.109 +MOL_02_009784,C[C@@H]1CCc2ncnc(N3CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)CC3)c21,-8.109 +MOL_01_027950,Cc1nc(CCc2ccccc2Cl)c2c(c1C[NH3+])CC[N@H+](Cc1ccccc1)C2,-8.108 +MOL_02_005293,[NH3+][C@H](O)NNCc1c(O)ccc2ccccc12,-8.108 +MOL_02_004070,O[C@H](CCCCc1ccc2c(c1)OCO2)[NH2+]C1CCCC1,-8.107 +MOL_02_030100,C[NH2+][C@@H]1CCCN(c2cc(C)nc3ncnn23)C1,-8.107 +MOL_02_034200,O[C@H](NCc1cccc(Cl)c1)[NH2+]C1CCN(c2cc3c(nn2)CCCC3)CC1,-8.106 +MOL_02_020528,[NH3+]Cc1cccc(-c2cncnc2-n2ccnc2)c1,-8.104 +MOL_02_026949,COc1ccc(CC[NH2+][C@H](O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1,-8.103 +MOL_01_032329,CCCc1cccc(NCc2ccccc2C(N)=[NH2+])c1C(N)=[NH2+],-8.102 +MOL_02_028574,[NH3+]CCOC1CCN(c2cc3n[nH]c(=O)n3cn2)CC1,-8.102 +MOL_02_034052,Cc1nccn1-c1ccc(C[NH2+][C@H](O)[C@@H]2C[C@H]3CCC[C@@H](C2)[C@H]3[NH3+])cn1,-8.102 +MOL_02_036203,c1cn2c(CN3CCC(c4[nH+]cc5n4CCCC5)CC3)cnc2cn1,-8.102 +MOL_01_029808,[NH3+][C@H](Nc1ccc(Cc2cccnc2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1,-8.101 +MOL_01_028169,[NH3+]Cc1cc(-c2cccc3ccccc23)cc2c1C[NH2+]C[C@@H](Cc1cccnc1)C2,-8.101 +MOL_01_032251,Cc1c(C[NH3+])c(=[NH2+])oc2cc(NCc3ccccc3)ccc12,-8.101 +MOL_01_031356,[H]/N=C1\c2ccccc2-c2c(/C(N)=N/C[NH2+]CN[NH2+]N)cccc21,-8.099 +MOL_02_017125,Nc1ncnc2c1ncn2CCCCc1[nH+]c2ccccc2n1CCc1ccccc1,-8.098 +MOL_02_030815,C[NH2+][C@H](NCc1[nH+]ccn1Cc1ccccc1)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-8.097 +MOL_01_027345,Nc1ccc2c(c1)CCCN2C(=[NH2+])Cc1ccccc1C[NH3+],-8.096 +MOL_01_028242,Nc1cc(Cl)cc(Cl)c1NC(=[NH2+])C[C@H]1[NH2+]CCc2ccccc21,-8.096 +MOL_02_027477,C[NH2+]C[C@@H]1CCCCN1c1cc(C)nc2ncnn12,-8.096 +MOL_02_018028,CC[NH2+]C[C@H](c1ccc(Cl)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.095 +MOL_01_019876,C[NH2+]CC[C@H](c1ccccc1)[n+]1c(N)n([C@@H](N)[NH3+])c2ccccc21,-8.094 +MOL_02_032473,Cc1cc(N2CCN(c3cc(C)[nH+]c(C)c3CN)CC2)n2ncnc2n1,-8.093 +MOL_02_009809,Cc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC2C[NH2+]C2)CC1,-8.093 +MOL_02_006949,[NH3+]Cc1ccc([C@H](O)Nc2ccc([C@H](O)N3CCC[C@H]3C[NH3+])cc2)cc1,-8.093 +MOL_02_015385,[NH3+]Cc1c(N2CC[C@@H](n3cncn3)C2)nc2ccccn12,-8.09 +MOL_02_023471,Nc1c(N(CCC[NH3+])CCC[NH3+])ncnc1-n1cnc2ccccc21,-8.09 +MOL_02_033030,[NH3+]Cc1ncn(-c2ncnc3ccccc23)c1C[NH3+],-8.09 +MOL_02_003963,CC[N@@H+](CCO)[C@@H]1C[C@@H](O)N(c2ccccc2C)[C@H]1O,-8.089 +MOL_02_035001,Cc1cc(N2CCC(C[NH3+])CC2)n2ncnc2n1,-8.086 +MOL_02_003402,CC[NH2+][C@H](O)Nc1ccc(Oc2ncnc(N)c2CNOC)cc1C,-8.085 +MOL_02_034864,Clc1nc(Nc2ncc3ccc4ncc(C5CCCC5)n4c3n2)ccc1N1CC[NH2+]CC1,-8.085 +MOL_02_019125,Cc1cccc(-c2ccccc2C[NH+]2CCN(CCCn3c(=O)[nH]c4ccccc43)CC2)c1C,-8.084 +MOL_01_032569,CCc1cc(CC)cc([C@H]([NH3+])NCC2(C[NH3+])CC[NH+](CCc3ccccc3)CC2)c1,-8.084 +MOL_01_031506,C[C@H](O)c1ccc([C@H](O)Nc2ccc(C[NH3+])cc2C[NH3+])cn1,-8.084 +MOL_01_030558,C[C@H]([NH3+])C1(N[C@H]([NH3+])c2cccc3c2CCCC3)Cc2ccccc2C1,-8.083 +MOL_02_006349,Cc1ccc(-c2ncccc2Cl)cc1[C@H](O)Nc1cc([C@H](O)N[C@@H]2CCC[NH2+]C2)nn1-c1ccccc1,-8.083 +MOL_01_025936,C=C1[C@H](C/C(C)=N/c2cc(C[NH3+])cc(C[NH3+])c2)N(CNC[NH3+])C(=C)N1c1ccc(Cl)cc1,-8.081 +MOL_02_010059,CC(C)Oc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCC2)CC1,-8.08 +MOL_02_011312,Cc1cc(N2CCN(c3ncccc3C[NH3+])CC2)n2ncnc2n1,-8.08 +MOL_01_026732,Cc1ccc2c(Cl)cc(Cl)c(CC[C@H]([NH3+])CC[C@H]([NH3+])Nc3ccc(C[NH3+])cc3)c2n1,-8.079 +MOL_02_002386,[NH3+]C[C@H](Cc1ccc(-c2ccc3c(c2)C[C@@H](O)N3)cc1Cl)N[C@H](O)[C@@H]1[NH2+][C@@H]2CC[C@H]1C2,-8.079 +MOL_02_025365,CC[C@@H]1CCCC[N@@H+]1CCCn1cnc2c(N)ncnc21,-8.079 +MOL_02_035422,[NH3+]Cc1ccc(N2CCC([NH2+][C@H](O)N3CCC[C@H]3c3nnc4n3CCCCC4)CC2)nc1,-8.078 +MOL_02_009952,Cc1ccc([C@@H]2C[C@@H](CC(O)O)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.078 +MOL_02_019317,O[C@H](NCc1nncn1C1CCCCC1)[N@@H+]1CCN(c2ccccc2)[C@@H](O)C1,-8.078 +MOL_01_030127,[NH2+]=C(NC[C@H]1CC[C@@H](C(=[NH2+])NCc2ccc(C[NH3+])cc2)CC1)[C@@H]1Cc2ccccc2CN1,-8.077 +MOL_02_015444,Nc1ncnc(N2CCC(C[N@H+]3CCC(Cl)(Cl)[C@H]3c3ccc(Cl)cc3)CC2)c1-c1ccc(Cl)cc1,-8.076 +MOL_02_004549,Cc1nc(C[NH3+])c(NCc2ccc3c(c2)OCO3)o1,-8.075 +MOL_02_009937,Cc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)cc(C)c1Cl,-8.075 +MOL_02_024423,Cc1c(CCN(CC[NH3+])Cc2cnn(-c3cc(N)c(CN)c[nH+]3)c2)ccc2c1CC[C@H]2C,-8.074 +MOL_02_009748,Cc1ccc(C[C@H](CC2([NH3+])CC2)[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)CC4)CC2)cc1Cl,-8.073 +MOL_02_027581,Cc1nc(Nc2c(C[NH3+])cnn2-c2cc(C)c3cccc(C)c3n2)cc(N2CC[NH+](C)CC2)n1,-8.073 +MOL_01_031044,[NH3+]Cc1cc(C[NH3+])nc(N[C@@H]2CC(=O)c3ccccc32)n1,-8.072 +MOL_01_033001,Cc1cccc([C@H]([NH3+])CC[C@H](C)C[NH2+]CCc2ccc(C[NH3+])c(C[NH3+])c2)c1,-8.071 +MOL_02_000508,Cc1ccc(CCNC(O)(O)c2ccc3c(c2)N[C@@H](O)[C@@H](C)[C@@H](O)N3)cc1,-8.071 +MOL_02_032775,Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(c2ncnc3ccc(C)cc23)CC1,-8.071 +MOL_01_027062,[NH3+]CCCn1nc2cc([C@H]([NH3+])CCc3ccc4c(c3)CCC4)ccc2c1CC[NH3+],-8.067 +MOL_02_006578,ON(O)c1cc(Oc2cccnc2)cc(N(O)O)c1,-8.067 +MOL_02_009304,O=c1cc(N2CCOCC2)nc(C[C@H](O)N2CCc3c(-c4ccccc4Cl)cccc32)[nH]1,-8.067 +MOL_02_024612,Cc1cn2c(-c3nccc(N4CC[NH2+][C@@H]([C@@H]5CC[NH2+]C5)C4)n3)cnc2cn1,-8.067 +MOL_02_026558,Nc1ncnc2c1ccn2C1CC[NH2+]CC1,-8.067 +MOL_01_028750,[NH3+]Cc1cnn(-c2ccccc2)c1N[C@H](O)[C@H](O)[NH2+]CCc1ccccc1,-8.066 +MOL_02_014886,Cc1ccc(CCC[NH2+]CCC[C@H](O)[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1Cl,-8.064 +MOL_01_027523,CCC(=O)c1ccc(N)c(CC(=O)Cn2cnc3ccccc3c2=O)c1,-8.063 +MOL_01_029781,Nc1cccc([C@@H]([NH3+])C2=Cc3cc(C[NH3+])ccc3CC2)c1N,-8.063 +MOL_01_026693,[NH2+]=C(NCCN1[C@H]([NH3+])CN(c2cccc3c2CCCC3)C[C@@H]1[NH3+])c1ccc(F)cc1,-8.061 +MOL_02_031283,Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)n2ncnc2c1,-8.061 +MOL_02_032075,[NH3+]CCN1CCN(c2cc3n[nH]c(=O)n3cn2)CC1,-8.06 +MOL_01_029205,CC(C)c1ccc2c(c1)[C@H](C(N)=[NH2+])c1ccccc1C=C2,-8.059 +MOL_01_032968,N[C@@H]([NH3+])CN(C1CCCC1)[C@H]([NH3+])[C@@H]1Cc2ccc(Cl)cc2C1,-8.059 +MOL_01_028294,[NH3+]CCCc1ccc(F)c2c1CC(=O)N2,-8.056 +MOL_02_004145,CCOc1ccc(N[C@H](O)c2ccc(Cl)c(C(O)(O)NCc3ccc4c(c3)OCO4)c2)cc1,-8.056 +MOL_02_002519,Cc1ccc(C[C@H]([NH2+][C@H]([O-])CC[NH3+])[C@H](O)N2CCN(c3[nH+]cccc3CN[C@H](O)OCc3ccccc3)CC2)c(C)c1,-8.055 +MOL_02_019446,O[C@H](Nc1cccc2cccnc12)[NH2+][C@@H]1CCN(c2ccccn2)C1,-8.054 +MOL_01_032668,C[C@H](O)c1cc2ccccc2cc1N[C@H](O)Nc1cccc(C(F)(F)F)c1,-8.053 +MOL_01_024970,Nc1c2cccc-2ncn1-c1ccc(CCC[NH+]2CCCC2)c(C[NH3+])c1,-8.052 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+8832,[NH3+]C[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-9.477 +9715,NC(=O)N[C@H](CNc1cc(Br)c(-c2ccnc3[nH]ccc23)s1)Cc1ccc(F)c(F)c1,-9.472 +8435,C[NH2+]C[C@@H](NC(=O)c1ccc2cnccc2c1)c1ccc(F)c(F)c1,-9.47 +8927,[NH3+]C1(C[NH2+][C@H](CO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-9.459 +8699,Cc1ccc2c(c1)C1(CC[NH2+]CC1)CN2c1ncnc2[nH]cc(C)c12,-9.455 +9889,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]CC4CCOCC4)c4ccc(Cl)cc4)CC3)c21,-9.451 +9015,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H]([NH3+])C4Cc5ccccc5C4)CC3)c12,-9.445 +8684,Cn1nccc1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(C(F)(F)F)c2)sc1Cl,-9.444 +8951,[NH3+][C@H](Cc1ccc(Br)cc1)C(=O)N1CCN(c2ncnc3ccc(F)cc23)CC1,-9.444 +8335,Clc1c[nH]c2ncnc(N3CC4(CC[NH2+]CC4)c4ccccc43)c12,-9.43 +9677,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C4CCOCC4)c4ccc(Cl)cc4)CC3)c21,-9.424 +9830,[NH3+][C@@]1(CNC(=O)c2cccc(F)c2)CCN(c2ncnc3[nH]ccc23)C1,-9.421 +9225,Clc1ccc2c(c1)C1(CC[NH2+]CC1)CN2c1ncnc2[nH]ccc12,-9.418 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+9868,CC(C)[NH2+]C[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-9.369 +9800,C[C@@H]1C[C@@H](F)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)C)c4ccc(C(F)(F)F)c(F)c4)CC3)c21,-9.365 +8931,[NH3+][C@@]1(CNC(=O)c2ccccc2F)CCN(c2ncnc3[nH]ccc23)C1,-9.365 +8844,COC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.356 +8539,NC1(C(=O)N[C@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-9.355 +8724,CC(C)[NH2+]C[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3F)CC1,-9.354 +8942,[NH3+]C1(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-9.35 +9085,CC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1F,-9.333 +8705,C[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Br)cc4)CC3)c21,-9.317 +9342,[NH3+][C@@]1(CNC(=O)c2ccccc2F)CCN(c2ncnc3[nH]cc(Cl)c23)C1,-9.315 +9247,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)C)c4ccc(F)c(F)c4)CC3)c21,-9.314 +9514,Cc1cc(C(=O)N[C@H](C[NH3+])c2ccccc2)sc1-c1ccnc2[nH]ccc12,-9.289 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+8256,CC(C)(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-9.189 +9352,O=C([C@H](Cc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1)N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1,-9.18 +8969,Cc1c[nH]c2ncnc(N3CCC([NH3+])(C(=O)N[C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c12,-9.161 +8945,Nc1ncnc(N2CCN(C(=O)[C@H]([NH3+])CNc3ccc(Cl)c(Cl)c3)CC2)c1Cl,-9.159 +8804,[NH3+]CC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-9.148 +9587,[NH3+]CC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-9.148 +9934,CC(C)[NH2+]C[C@H](C(=O)N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)c1ccc(Cl)cc1,-9.14 +8148,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)s3)cc12,-9.139 +9376,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CC[NH3+])Cc2ccc(F)c(F)c2)oc1Cl,-9.122 +8431,CC(=O)NC[C@H](N[C@H](CC(=O)N(C)C)c1ccc(Cl)cc1)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1,-9.117 +9527,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4cccc(Cl)c4)CC3)c12,-9.113 +9625,Cc1ncc(C(=O)NC(=O)C2(N)CCN(c3ncnc4[nH]ccc34)CC2)s1,-9.096 +9908,C[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1,-9.094 +8358,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1cccc(Cl)c1)c1ccc(-c2cn[nH]c2)o1,-9.09 +8910,Cc1ccc([C@@H](CNc2cc[nH+]cc2)C(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1F,-9.072 +8761,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)C[NH2+]CC3CCOCC3)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-9.066 +9809,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1cccc(C(F)(F)F)c1)c1ccc(-c2cn[nH]c2)o1,-9.064 +9627,Cc1n[nH]c2ccc(-c3cncc(OC[C@H](C[NH3+])Nc4ccc5[nH]c(=O)oc5c4)c3)cc12,-9.064 +9162,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccc(F)cc4)s3)cc12,-9.061 +9138,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCn3cncn3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-9.059 +9489,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@@H]([NH3+])COc4ccc(N(C)C)cc4)CC3)c12,-9.054 +9931,Cc1ccc([C@H](NC(=O)C2([NH3+])CCN(c3ncnc4[nH]ccc34)CC2)c2ccccc2)cc1,-9.054 +8121,Cc1c[nH]c2ncnc(N3CCN(C(=O)N[C@H](CCC[NH+]4CCCC4)c4ccc(Cl)cc4)CC3)c12,-9.05 +9531,[NH3+]C1(C(=O)N[C@@H](CC[NH+]2CCOCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-9.045 +8527,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccccc4)s3)cc12,-9.045 +8577,CC(C)[NH2+]C[C@H](CN(CC[NH+]1CCOCC1)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-9.044 +8622,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4cccc(F)c4)s3)cc12,-9.04 +9122,CC(C)[NH2+]C[C@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1,-9.04 +8673,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4cccc(Cl)c4)s3)cc12,-9.038 +8558,COc1cc(OC[C@@H]([NH3+])Cc2ccccc2)cnc1-c1ccnc2[nH]ccc12,-9.029 +8359,C[C@@H]1C[C@@H](F)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)CO)c4ccc(Cl)cc4)CC3)c21,-9.023 +9996,[NH3+]C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-9.022 +8492,[NH3+]C1(C(=O)N[C@H](Cc2ccc(Cl)cc2)CC2CCOCC2)CCN(c2ncnc3[nH]ccc23)CC1,-9.022 +9986,[NH3+]C[C@H](NC(=O)c1cc(-c2ccco2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-9.017 +8766,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc2cnccc2c1,-9.016 +9292,Cc1c[nH]c2ncnc(N3CCC4(CC[NH2+]CC4)C3)c12,-9.016 +8649,[NH3+][C@H](CNc1cc(-c2ccnc3[nH]ccc23)c(C2CC2)s1)Cc1cccc(F)c1,-9.015 +9121,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3[nH]ccc23)CC1,-9.009 +8479,[NH3+]C[C@H](NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1)[C@@H]1CCCC[NH2+]C1,-9.005 +8755,Cn1nccc1-c1csc(C(=O)N[C@H](C[NH3+])Cc2cccc(C(F)(F)F)c2)c1,-9.004 +8923,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(C(F)(F)F)cc2)c1,-9.003 +8139,[NH3+]C1(C(=O)N[C@H](Cc2ccccc2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-8.997 +8886,C[NH+](C)CCC[C@H](NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-8.995 +9626,C[C@H](NC(=O)C1CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-8.993 +9187,Cn1ncc(Cl)c1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1,-8.988 +9088,COc1ccc(O[C@@H](N)C(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)cc1,-8.986 +8611,Fc1ccc2c(c1)[C@]1(CCC[NH2+]C1)CN2c1ncnc2[nH]ccc12,-8.98 +9694,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H](C[NH3+])Cc2ccc(Cl)cc2)oc1Cl,-8.974 +9172,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Br)cc4)CC3)c12,-8.97 +8135,C[C@H](NC(=O)C[NH+]1CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-8.97 +8092,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccc(Cl)c(F)c4)s3)cc12,-8.963 +8814,N[C@@H](C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-8.961 +9447,Cc1c[nH]c2ncnc(N3CCN(C(=O)C[NH+](C)C)CC3)c12,-8.958 +8984,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccc(-c2cn[nH]c2)o1,-8.958 +9252,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC[C@@H](O)CO)C[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)oc1Cl,-8.941 +9680,[NH3+]C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1,-8.94 +9002,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)s1,-8.936 +8353,Cn1nccc1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)o1,-8.933 +9042,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC5CC[NH2+]CC5)c4)c3)cc12,-8.931 +9380,Cc1n[nH]c2ccc(-c3cnc(N)c(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-8.93 +9495,[NH3+][C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(Cl)cc1Cl,-8.921 +9918,CC[NH2+]CC[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-8.92 +8388,[NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-8.918 +8584,CCc1c[nH]c2ncnc(N3CCCN(C(=O)[C@H](C[NH2+]C)c4ccc(Cl)cc4)CC3)c12,-8.914 +9236,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1,-8.914 +8251,[NH3+]C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)[C@H](Cc1ccccc1)Cc1ccc(Cl)cc1,-8.911 +9350,Cn1nccc1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)oc1Cl,-8.906 +9571,CC(=O)N[S@](=O)Nc1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.902 +9096,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5ccccc5c4)c3)cc12,-8.895 +9647,Cn1nccc1-c1csc(C(=O)N[C@H](C[NH3+])Cc2ccccc2)c1,-8.894 +8657,[NH3+]C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.887 +9258,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3ccccc23)CC1)c1ccc(Cl)cc1,-8.882 +9658,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccc(Cl)cc4Cl)s3)cc12,-8.874 +9844,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)CC(=O)N5)c3)cc12,-8.871 +8308,[NH3+]C[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(-c2ccncc2)c(Cl)s1,-8.869 +8104,[NH3+]C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccn1,-8.863 +8448,O=C([C@H](CC[NH+]1CCOCC1)c1ccc(Cl)cc1)N1CCN(c2ncnc3[nH]ccc23)CC1,-8.856 +9502,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@@H](N)Cc4cccc([C@@H](C)F)c4)CC3)c12,-8.853 +8809,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3cnccc23)CC1,-8.849 +8091,[NH3+]C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)o1)c1ccccc1,-8.849 +9401,C[NH2+]C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-8.847 +9534,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3F)CC1)c1ccc(Cl)cc1,-8.838 +8229,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.832 +8919,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccc(F)c(F)c4)s3)cc12,-8.831 +8429,Fc1ccc2c(c1)[C@]1(CC[NH2+]C1)CN2c1ncnc2[nH]ccc12,-8.828 +9696,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3F)CC1)c1ccc(Cl)c(Cl)c1,-8.825 +9479,C[C@H]([NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3ccccc23)CC1)c1ccc(Cl)cc1)C1CC[NH2+]CC1,-8.821 +9765,C[C@@H]1C[C@@H](O)c2ncnc(N3CCC(N)(C(=O)N[C@H](C[NH3+])Cc4ccc(Cl)cc4)CC3)c21,-8.818 +9066,N[C@@]1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)C1,-8.811 +9416,[NH3+]C1(C(=O)N[C@H](CC2CC[NH2+]CC2)c2ccc(Cl)c(Cl)c2)CCN(c2ncnc3[nH]ccc23)CC1,-8.797 +8203,Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CN[C@H](CCNS(C)(=O)=O)c4ccc(Cl)cc4)C3)c12,-8.795 +9914,C[NH2+]CC[C@@H]1CN(c2ncnc3[nH]cc(C)c23)c2ccccc21,-8.767 +9520,O=C(N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1)c1ccc2cnccc2c1,-8.765 +9224,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(Cl)c2)c1,-8.75 +9927,N[C@@H](C(=O)N1CCN(c2ncnc3ccccc23)CC1)c1ccc(C(F)(F)F)cc1,-8.746 +9340,CC[C@@H](C[NH3+])NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.735 +9549,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(F)cc23)CC1,-8.733 +8576,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)c1,-8.732 +9248,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H](C)Cc4cccc(Cl)c4)CC3)c12,-8.728 +8871,Cc1cnn(C)c1-c1csc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(N)=O)C[C@H]2c2ccc(Cl)c(Cl)c2)c1,-8.713 +1471,N#C[C@@H]1C(SCC(=O)Nc2cccc(C(F)(F)F)c2)=[NH+]C(=O)C[C@@H]1c1ccccc1F,-8.711 +9240,Cn1nccc1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)oc1Cl,-8.701 +8744,Cc1cnn(C)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c1,-8.684 +8258,[NH3+][C@H](CNc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccc(C(F)(F)F)cc1,-8.682 +9472,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)sc1Cl,-8.68 +8841,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCCN(N)Cc5c[nH]c6ccccc56)c4)c3)cc12,-8.663 +8498,Cc1c[nH]c2ncnc(N3C[C@]4(CC[NH2+]C4)c4ccccc43)c12,-8.66 +8604,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](CF)CC3)CC1)c1ccc(Cl)cc1,-8.653 +8483,C[NH2+]C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-8.642 +9900,c1nc(N2CCc3[nH]c[nH+]c3C2)c2c(C3CC3)c[nH]c2n1,-8.638 +8737,[NH3+]C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)c([C@@H](C[NH3+])C(F)(F)F)c1,-8.636 +9785,Cn1ncc(Br)c1-c1csc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)c1,-8.631 +9870,CC(C)[NH2+]C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-8.627 +9072,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)cc2)c1,-8.626 +9343,CC(=O)[C@@H](CO)C[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-8.623 +9308,Cc1n[nH]c2ccc(-c3cncc(OC[C@H]([NH3+])Cc4cccc(F)c4F)c3)cc12,-8.621 +9433,CNc1nccc(-c2ccc(C(=O)N[C@H](C[NH3+])Cc3ccc(Cl)cc3Cl)s2)n1,-8.603 +9720,CC(C)[NH2+][C@H](c1ccc(Cl)cc1)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1,-8.597 +9356,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)sc1Cl,-8.587 +9737,CCn1ncnc1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)oc1Cl,-8.584 +8205,Cn1ncc(Cl)c1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c1,-8.584 +9298,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(I)cc4)CC3)c12,-8.582 +8889,Cc1sc(C(=O)N[C@@H](C[NH3+])Cc2cccc(F)c2)cc1-c1c(Cl)cnn1C,-8.579 +9578,CC(C)[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.579 +9836,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)oc1Cl,-8.569 +9895,[NH3+]C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.564 +9638,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(C(F)(F)F)c2)c1,-8.553 +8605,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)oc1Cl,-8.55 +9005,CC(C)[NH2+]C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1,-8.55 +9160,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(=O)C=C3)c1)Cc1c[nH]c2ccccc12,-8.549 +8208,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c1,-8.549 +8282,Cn1ncc(Cl)c1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(C(F)(F)F)c2)c1,-8.549 +9612,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC3)CC1)c1ccc(Cl)cc1,-8.546 +9896,Cc1[nH]nc2sc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)c(F)c4)c3)cc12,-8.542 +9892,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccc(-c2cn[nH]c2)cc1,-8.541 +9381,Cc1n[nH]c2ncc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)nc12,-8.541 +9721,Cc1ccc2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)C)Cc4ccc(Cl)cc4)CC3)c2c1,-8.541 +9444,[NH3+]CC[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccc(Cl)cc1,-8.535 +9801,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCCC3)C[C@H]2c2ccc(Cl)c(F)c2)oc1Cl,-8.533 +8519,C=Cn1ncc(C)c1-c1csc(C(=O)N[C@@H](C[NH3+])C[NH2+]CC2CCOCC2)c1,-8.531 +8427,[NH3+]C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(Br)c(-c2c[nH]c3c[nH+]ccc23)s1,-8.531 +9509,c1ccc2c(N3CC[NH2+]CC3)ncnc2c1,-8.53 +9581,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)n2)oc1Cl,-8.527 +8998,COc1cc2cnccc2cc1C(=O)N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1,-8.523 +8513,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC[NH3+])c4)c3)cc12,-8.521 +9218,COc1ccc([C@H](CC[NH3+])NC(=O)c2cc(Br)c(-c3ccnc4[nH]ccc34)o2)cc1,-8.518 +9093,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1,-8.508 +8278,NS(=O)(=O)CC[C@H](NC(=O)C1CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-8.506 +8663,CCn1ncc(C)c1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1,-8.502 +8803,Cc1c[nH]c2ncnc(N3CCC(N)(C(=O)N[C@H](CCO)c4ccccc4)CC3)c12,-8.502 +9226,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+](C)C)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-8.502 +9648,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccccc4Cl)s3)cc12,-8.5 +9228,CN(C)C(=O)Oc1ccc(C(F)(F)F)c(NC(=O)C2([NH3+])CCN(c3ncnc4[nH]ccc34)CC2)c1,-8.496 +8751,C[C@H](CCOCc1ccccc1)NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc23)CC1,-8.487 +9924,CC(C)[NH2+]C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)CC1,-8.484 +8817,CC(C)[NH2+]C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)CC1,-8.484 +9607,CC[NH2+]CCOc1cccc(C[C@H]([NH3+])COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)c1,-8.483 +8379,Cn1ncc(Br)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(Cl)c2)c1,-8.482 +3429,Cc1ccc(-c2[nH]ncc2[C@H](O)C[NH2+]Cc2cccnc2)cc1,-8.482 +8525,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[S@@+](N)c4ccccc4F)CC3)c21,-8.477 +9432,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OCC(F)(F)O5)c3)cc12,-8.476 +8413,[NH3+]C[C@H](C(=O)Nc1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-8.474 +9249,Cc1sc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)cc1-c1c(Cl)cnn1C,-8.465 +8245,[NH3+][C@H](CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(Cl)cc1Cl,-8.463 +8569,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccc(F)c(F)c4)s3)nc12,-8.453 +9202,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)c1,-8.445 +8244,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](CC[NH3+])Cc2ccccc2)sc1Cl,-8.442 +8540,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCCC3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-8.441 +8542,C[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)CO)c4ccc(Cl)cc4)CC3)c21,-8.44 +9835,[NH3+]C[C@H](Cc1ccc(Br)c(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.437 +9038,[NH3+][C@H](Cc1ccc(Br)c(F)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-8.432 +9328,Cc1oc([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)cc1Cc1ccn[nH]1,-8.431 +8532,C[C@@H](C(=O)N1CCN(c2ccnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,-8.427 +9574,O=C(N[C@@H]1CCC[NH2+]C[C@H]1NC(=O)c1ccncc1)c1ccc(Cc2ccncc2)cc1,-8.423 +8096,Cn1ncc(Br)c1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(Cl)c2)c1,-8.42 +9541,NC(=O)C(=O)N1CCN(c2ncnc(N)c2Br)CC1,-8.417 +8288,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(C(F)(F)F)c2)sc1Cl,-8.413 +9140,[NH3+][C@H](CNC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-8.401 +9535,[NH3+]CC[C@@](C[NH3+])(Cc1cccc(Cl)c1)OC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.377 +8197,Cn1nccc1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)oc1Cl,-8.371 +9562,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)sc1Cl,-8.363 +9281,CC(=O)NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-8.359 +9469,Cc1ncc(OC[C@@H]([NH3+])Cc2cccc(C(F)(F)F)c2)cc1-c1ccc2[nH]nc(C)c2c1,-8.357 +8112,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](C[C@@H](O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-8.35 +8707,Cn1ncc(Br)c1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c1,-8.347 +9775,[NH3+]C1(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-8.345 +9732,[NH3+][C@H](CNc1cc(C(=O)N[C@@H]2C[C@H]2[NH2+]CCO)ccn1)Cc1cccc(F)c1,-8.34 +9171,O=C(Nc1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-8.34 +9330,CNC(=O)C[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2ccc(-c3c(Cl)cnn3C)cc2)C[NH2+]1,-8.339 +8932,CC(C)=C1C(=O)Nc2ccc(N[C@H](COc3cncc(-c4cc5c(C)n[nH]c5cn4)c3)Cc3c[nH]c4ccccc34)cc21,-8.339 +9470,[NH3+]C[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.337 +9911,NC(=O)c1cncc(-c2cc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)cnc2Cl)c1,-8.337 +9458,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc[nH]c4)c3)cc12,-8.328 +9663,Cc1sc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)cc1-c1c(Br)cnn1C,-8.326 +9818,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-8.325 +9075,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(C(F)(F)F)c4)c3)cc12,-8.322 +9133,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccccc4F)s3)cc12,-8.322 +9722,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCNS(C)(=O)=O)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-8.321 +8165,Cc1n[nH]c2ccc(-c3cncc(NC[C@@H]([NH3+])Cc4ccc(F)c(F)c4)c3)cc12,-8.317 +9379,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)sc1Cl,-8.314 +8137,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccco4)c3)cc12,-8.314 +5016,O=C(CCc1ccccc1)Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1,-8.312 +8184,[NH3+]C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.311 +9621,CNC(=O)Nc1ccc(Oc2cc(O)cc(O)c2-c2ncc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)cc2-c2ccncc2)cn1,-8.306 +9793,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccc(F)c(F)c4F)cnn3)cc12,-8.301 +8412,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(C(F)(F)F)c4)c3)cc12,-8.3 +9958,Cc1n[nH]c2ccc(-c3cncc(OC[C@H]([NH3+])Nc4ccc(Cl)c(C(F)(F)F)c4)c3)cc12,-8.294 +8831,Cn1nccc1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(F)c2)c1,-8.293 +9709,C[NH2+]C[C@H](Cc1ncccc1C(F)(F)F)NC(=O)c1cc(-c2c(Cl)cnn2C)c(Cl)o1,-8.293 +9285,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)sc1Cl,-8.286 +8511,Nc1cc2cnccc2cc1-c1cncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1,-8.284 +9319,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCOCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-8.284 +8347,Clc1c[nH]c2ncnc(N3CCc4[nH]c[nH+]c4C3)c12,-8.282 +9632,Cc1cnn(C)c1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1,-8.28 +9620,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2Oc2cccc(F)c2)c1,-8.277 +8389,Cc1c[nH]c2ncnc(N3CC[C@@]4(CCN(c5ncnc6[nH]ccc56)C4)C3)c12,-8.275 +8729,Nc1ccc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c2c1,-8.269 +9594,Nc1cc2[nH]ncc2cc1-c1cncc(OC[C@@H]([NH3+])Cc2ccc(Cl)cc2Cl)c1,-8.267 +8333,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)sc1Cl,-8.267 +9309,[NH3+][C@H](COc1cccnc1)Cc1ccc2ccc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)cc2c1,-8.265 +8116,Cn1ncc(Br)c1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1,-8.263 +9339,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5c4C=C5)c3)cc12,-8.257 +9188,Cc1n[nH]c2ccc(-c3cnc(NC[C@@H]([NH3+])Cc4ccc(F)c(F)c4)s3)cc12,-8.254 +8645,[NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-8.253 +8781,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4ccc(F)c(F)c4F)cnn3)cc12,-8.252 +9127,[NH3+]C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(Cl)cc1,-8.248 +9798,Nc1ncnc(N2CCN(C(=O)[C@H]([NH3+])Cc3ccc(Cl)cc3)CC2)c1Cl,-8.232 +9110,CC(C)[NH2+][C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3F)CC1)c1ccc(Cl)cc1,-8.232 +9707,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-8.225 +8367,Cc1ncnc2ccc(OC[C@H](Cc3c[nH]c4ccccc34)Nc3ccc4[nH]c([O-])c(N=O)c4c3)cc12,-8.22 +8447,Cc1cnn(C)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)oc1Cl,-8.22 +8874,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2CC[C@H](NC(=O)c3cc(-c4c(Cl)cnn4C)c(Cl)o3)C[NH2+]C2)c1,-8.217 +9051,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5ccncc5c4)c3)cc12,-8.216 +8794,CO[C@H]1CC[C@H]([NH2+]C[C@@H](C(=O)N2CCN(c3ncnc4c3[C@H](C)C[C@H]4O)CC2)c2ccc(Cl)cc2)CC1,-8.216 +8402,Cc1n[nH]c2ccc(-c3ncc(NC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)s3)cc12,-8.21 +8422,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)c(F)c1,-8.208 +9211,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)sc1Cl,-8.206 +8453,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC[C@@H](O)CO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-8.206 +8175,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)oc1Cl,-8.205 +2216,CCCNc1cc(N2CCC[C@H](CC(=O)Nc3cccc(C(C)C)c3)C2)ncn1,-8.204 +9766,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@H]2CNC[NH2+]C2)c1,-8.204 +9335,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc5ccccc45)c3)cc12,-8.198 +8441,[NH3+][C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(Cl)c(F)c1,-8.198 +9726,Cc1sc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)cc1-c1c(Cl)cnn1C,-8.194 +9543,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](C[C@@H](O)CO)C[C@H]2c2cc(Cl)c(Cl)c(Cl)c2)oc1Cl,-8.19 +8686,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1)Cc1c[nH]c2ccccc12,-8.189 +9013,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Br)cc4)c3)cc12,-8.186 +9857,Cn1nccc1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1,-8.184 +9136,Cc1n[nH]c2cnc(-c3cncc([C@H](C)CC[C@@H]([NH3+])Cc4ccc(F)c(F)c4)c3)cc12,-8.181 +8691,[NH3+][C@@H](Cc1cccc(F)c1)C[C@@H]([NH3+])Nc1cncc(/C=C/c2ccncc2)c1,-8.181 +9618,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)nc12,-8.181 +9111,Cn1ncc(Cl)c1C1=CC(C(=O)N[C@H](CC2CCC2)C2CC[NH2+]CC2)=C1,-8.178 +8487,Cn1nccc1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1,-8.173 +9137,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC[C@@H](O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-8.168 +9693,CNc1ccc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c2c1,-8.166 +9009,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)oc1C,-8.166 +9853,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NCCO)C[C@H]2c2cccc(F)c2)oc1Cl,-8.164 +8846,Cn1ncc(Cl)c1-c1cc(C(=O)NC[C@@]2([NH3+])CC[C@@H](C(C)(C)Cc3[nH]cc[nH+]3)C(=O)C2)oc1Cl,-8.161 +9296,Cn1nccc1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c(F)c1,-8.156 +9544,Cn1nccc1-c1coc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1,-8.155 +9372,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-8.154 +8972,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(Cl)cc2)sc1Cl,-8.152 +8797,Nc1cc2[nH]ncc2cc1-c1cncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1,-8.151 +8721,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-8.146 +8409,Cn1nccc1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)[O-])C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-8.146 +8396,CC(C)[NH2+]C[C@H](N)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-8.145 +9940,Nc1ncnc(N2CCN(C(=O)[C@H]([NH3+])Cc3ccc(Cl)cc3)CC2)c1Br,-8.143 +9076,CCn1c(-c2ccncc2)nc(N)c1NC(=O)NCc1cccc(O)c1,-8.142 +8869,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(Cl)c4Cl)c3)cc12,-8.137 +9198,Cc1sc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)cc1-c1ccnn1C,-8.132 +9507,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC3CCC3)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-8.132 +8862,[NH3+]CC[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1,-8.128 +9017,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccncc4)c3)cc12,-8.127 +8940,C[NH+](C)CC[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-8.125 +8130,Cc1cnn(C)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)sc1Cl,-8.125 +9980,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])CNC(C)(C)CO)sc1Cl,-8.123 +8609,CC[C@H](C[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1)C(=O)NC,-8.116 +9025,Nc1sc(C(=O)N[C@@H](C[NH3+])c2ccccc2)cc1-c1cn[nH]c1,-8.116 +9438,[NH3+]C[C@H](Cc1ccccc1C(F)(F)Cl)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.115 +2838,Cc1cccc(CC(=O)N2CC[NH+]([C@H]3CCN(Cc4cccnc4)C3=O)CC2)c1,-8.115 +8800,[NH3+]C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.114 +5419,O=C(CCc1c[nH]c2ccccc12)N1CCC(Cc2nc(-c3ccncc3)n[nH]2)CC1,-8.107 +9167,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2)sc1Cl,-8.105 +9967,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)c(C(F)(F)F)c4)c3)cc12,-8.103 +8302,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(C(F)(F)F)c2)sc1Cl,-8.1 +8973,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C\c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-8.098 +8109,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4Cl)c3)cc12,-8.096 +9884,[NH3+][C@H](COc1cncc(-c2ccc3[nH]ccc3c2)c1)Cc1ccc2ccccc2c1,-8.095 +463,COc1ccc(C)cc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1,-8.089 +9216,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2C[NH2+][C@@H](CC(N)=O)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-8.085 +9142,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)oc1Cl,-8.082 +9820,Cn1ncc(Cl)c1-c1cncc(OC[C@@H]([NH3+])Cc2ccc(F)c(C(F)(F)F)c2)c1,-8.082 +8776,Cc1ccc(F)cc1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-8.081 +9649,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(C(F)(F)F)ccc4F)c3)cc12,-8.081 +8660,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3C)CC1)c1ccc(Cl)cc1,-8.078 +9189,[NH3+][C@H](CNc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH+]cc2[nH]ccc12,-8.078 +9337,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(C(F)(F)F)c2)oc1Cl,-8.078 +8581,Cc1[nH]c2ccccc2c1C[C@H]([NH3+])COc1cccc(-c2cc3c(C(N)=O)n[nH]c3cn2)c1,-8.077 +8418,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(F)c4F)c3)cc12,-8.073 +9623,C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@]1(N)CCN(c2ncnc3[nH]ccc23)C1,-8.073 +9369,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1,-8.073 +8321,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1,-8.073 +8493,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4cccc5ccccc45)cnc3-c3cc(Cl)ccc3O)cc12,-8.072 +9448,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)c(F)c4)c3)cc12,-8.071 +8115,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(F)ccc4F)c3)cc12,-8.068 +9351,Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC(=O)c4ccccc4F)C3)c12,-8.066 +9081,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(C(F)(F)F)c(F)cc4F)c3)cc12,-8.066 +8895,[NH3+][C@H](COc1cnc(Cl)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,-8.064 +9763,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](C[C@@H](O)CO)C[C@H]2c2ccc(F)cc2)oc1Cl,-8.064 +9163,Cc1n[nH]c2cc(Br)c(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(Cl)c4)c3)cc12,-8.062 +9456,[NH3+]C[C@H](NC(=O)c1cc(C2CC2)c(-c2cn[nH]c2Cl)s1)c1ccccc1,-8.059 +9815,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC[NH3+])c4)c3)cc12,-8.056 +8810,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccsc4Br)c3)cc12,-8.056 +9061,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCC(O)CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-8.053 +8327,Cc1n[nH]c2ncc(-c3sc(C(=O)N[C@H](C[NH3+])Cc4ccc(C(F)(F)F)cc4)cc3Br)cc12,-8.053 +8943,C[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c21,-8.05 +8861,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(C(F)F)cc2)sc1Cl,-8.048 +9231,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])CNCc4cccc(O)c4)c3)cc12,-8.047 +9316,CC(=O)NCC[C@H]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-8.044 +9664,COc1cc2cnccc2cc1C(=O)N[C@H](c1ccc(Cl)c(F)c1)C1CC[NH2+]CC1,-8.04 +9016,Cn1nccc1-c1cnc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(Cl)c2)o1,-8.038 +9599,[NH3+]C[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-8.037 +8868,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4C#N)c3)cc12,-8.033 +9560,[NH3+]C[C@H](Cc1ccccc1F)NC(=O)c1cc(Br)c(-c2ccncc2)s1,-8.025 +8701,C[C@@H]1Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc2C(=O)[C@]1(C)Cc1[nH]cc[nH+]1,-8.019 +8688,C[NH+](C)CCC[C@H](NC(=O)C(=O)N1CCN(c2ncnc(N)c2Br)CC1)c1ccccc1,-8.014 +9027,Nc1c(-c2cncc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)c2)ccc2cnccc12,-8.013 +9079,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)oc1Cl,-8.012 +9481,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)cc4F)c3)cc12,-8.006 +9561,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCCOCC[NH3+])c4)c3)cc12,-8.004 +8642,CC[NH2+]CCC[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1cccc(Cl)c1,-7.999 +8140,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OC(F)(F)O5)c3)cc12,-7.997 +8958,CN(C)c1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-7.993 +9195,Cc1n[nH]c2ccc(-c3cncc(OC[C@H]([NH3+])Cc4ccc5c(c4)[C@@H](C)C(=O)N5)c3)cc12,-7.99 +9698,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc([C@@H](F)C(F)(F)F)cc4)c3)cc12,-7.983 +9391,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2F)oc1Cl,-7.98 +8452,CCc1sc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)cc1-c1c(Cl)cnn1C,-7.978 +9471,C[C@H](Cc1ccco1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.978 +8782,CC[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.978 +9582,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2)sc1Cl,-7.975 +9020,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3cn[nH]c3)cc12,-7.973 +9450,Nc1n[nH]c2nccc(-c3sc(C(=O)N[C@H](C[NH3+])Cc4cccc(C(F)(F)F)c4)cc3Br)c12,-7.972 +9966,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)cc4F)c3)cc12,-7.971 +9773,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC3CC3)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-7.97 +8161,[NH3+][C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(Cl)cc1,-7.967 +9499,Cn1nccc1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c1,-7.965 +8158,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(O)O)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.965 +9349,Cc1cnn(C)c1-c1cc(C(=O)N[C@@H](C[NH3+])Cc2ccccc2)sc1Cl,-7.964 +9816,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCNS(C)(=O)=O)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.964 +8421,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.956 +8859,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(C(F)(F)F)c(F)c2F)oc1Cl,-7.956 +8134,Cc1cnn(C)c1-c1csc(C(=O)N[C@H]2CN[NH2+]CC[C@@H]2c2cccc(F)c2)c1,-7.955 +9779,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2C(F)(F)F)sc1Cl,-7.952 +9427,[NH3+][C@H](COc1cncc(-c2ccc3[nH]ncc3c2)c1)Cc1ccc(F)cc1F,-7.95 +9348,Cc1c[nH]c2ncnc(N3CCC[C@@H](C(=O)N[C@H](N)Cc4ccc(Cl)cc4)CC3)c12,-7.944 +9286,Nc1cc(N2CCN(C(=O)[C@H]([NH3+])Cc3ccc(Cl)cc3)CC2)ncn1,-7.944 +9413,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(Cl)c2)o1,-7.943 +7009,Cc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=[NH+]/c1ccc(Oc2ccccc2)cc1,-7.942 +9893,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2)oc1Cl,-7.942 +9681,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cc(F)ccc2OC(F)(F)F)oc1Cl,-7.934 +9999,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)sc1Cl,-7.933 +9057,CCc1sc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)cc1-c1c(Cl)cnn1C,-7.931 +9305,[NH3+]C1(C(=O)N[C@H](CCCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,-7.93 +9059,CC(=O)OCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.927 +9129,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)c(N)c12,-7.924 +8665,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(F)cc(C(F)(F)F)c4)c3)cc12,-7.922 +8105,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(Br)cc2F)sc1Cl,-7.921 +9569,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(F)cc(C(F)(F)F)c4)c3)cc12,-7.916 +8272,Cc1sc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)cc1-c1c(Cl)cnn1C,-7.913 +9116,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4Br)c3)cc12,-7.911 +9233,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2C(F)(F)F)sc1Cl,-7.911 +9992,C[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.908 +8585,Cn1nccc1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)cc2)c1,-7.906 +8296,[NH3+][C@H](COc1cncc(-c2ccc3ccc(O)cc3c2)c1)Cc1c[nH]c2ccccc12,-7.905 +9371,COc1cccc([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)c1C,-7.899 +8674,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccc[nH]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-7.899 +8434,Nc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-7.897 +8820,Cc1cnn(C)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2C(F)(F)F)sc1Cl,-7.89 +9146,Cc1ccc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c2c1,-7.89 +8970,CCc1sc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)cc1-c1c(Cl)cnn1C,-7.889 +8823,COc1sc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)cc1-c1c(Cl)cnn1C,-7.889 +8997,Cc1n[nH]c2ccc(-c3cnc(NC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)s3)nc12,-7.886 +9614,[NH3+][C@H](COc1cncc(-c2cc3c(Cl)n[nH]c3cn2)c1)Cc1cccc(C(F)(F)F)c1,-7.884 +8747,CNC(=O)Nc1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.881 +8376,[NH3+]C[C@H](Cc1ccc(F)c(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.879 +9303,Cn1nccc1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c1,-7.879 +8207,[NH3+][C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccccc1Cl,-7.873 +9564,C[NH2+]C[C@H](NCS1=C(Cl)N=CC(NC[C@@H]([NH3+])Cc2ccc(Cl)cc2)=N1)c1ccccc1,-7.872 +1357,Cc1ccc(Cl)cc1NC(=O)N(CCC[NH+](C)C)Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1,-7.87 +8857,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc5c4OC(F)(F)O5)c3)cc12,-7.868 +5726,O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)c(C(F)(F)F)c1,-7.863 +9466,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(Cl)cc(Cl)c4)c3)cc12,-7.859 +9245,Cc1cnn(C)c1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(Cl)c2)c1,-7.858 +8582,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2[nH]cc[nH+]2)C(=O)N3)c1)Cc1cccc(Cl)c1,-7.855 +8114,[NH3+][C@H](COc1cnnc(-c2ccc3[nH]ncc3c2)c1)Cc1c[nH]c2ccccc12,-7.855 +9409,Cn1nccc1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)cc1Cl,-7.853 +8153,Cc1occc1-c1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-7.85 +8885,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(Br)c(F)c2)sc1Cl,-7.849 +9974,Cc1n[nH]c2ccnc(N3CCN(C(=O)[C@H](C[NH3+])c4ccc(C(F)(F)F)c(F)c4)CC3)c12,-7.847 +8947,N#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1NCc1ccc2[nH]ncc2c1,-7.846 +8672,CCn1nccc1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1,-7.846 +8783,C[C@@H]1C[C@H](c2ccc(Cl)cc2)c2[nH+]cnc(N3CCN(c4ncnc5[nH]ccc45)CC3)c21,-7.844 +8106,NC1(C(=O)N[C@@H](CC[NH+]2CCCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3sccc23)CC1,-7.843 +4305,Cc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H]3C=CS(=O)(=O)C3)ccc12,-7.843 +8671,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)sc1Cl,-7.842 +8689,Cc1n[nH]c2cnc(-c3cnc(-c4ccoc4)c(OC[C@@H]([NH3+])Cc4c(C(N)=O)[nH]c5ccccc45)c3)cc12,-7.839 +9874,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)s3)cc12,-7.837 +8713,[NH3+]CCOc1cc2[nH]ccc2c(-c2ccc(C(=O)N[C@H](C[NH3+])Cc3ccccc3C(F)(F)F)s2)n1,-7.834 +8451,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(Br)c4)c3)nc12,-7.833 +9548,[NH3+]C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(F)c(F)s1,-7.832 +2763,Nc1cc2c3c(cccc3c1)C(=O)OC2=O,-7.832 +9227,[NH3+][C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1cccc(C(F)(F)F)c1,-7.831 +8219,COc1cc2cnccc2cc1C(=O)N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1,-7.831 +9065,CC(C)=C1C(=O)Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(=C(C)C)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc21,-7.829 +9995,Cc1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)ccc1-c1c[nH]c2ncccc12,-7.828 +8749,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccco4)c3c2)c1)Cc1c[nH]c2ccccc12,-7.827 +9032,Nc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-7.823 +8777,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1ccccc1Br,-7.823 +9542,Cc1cnn(C)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(Cl)c2)sc1Cl,-7.822 +9325,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c(F)cc(F)cc4F)c3)cc12,-7.82 +8996,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](CCCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.82 +8572,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(F)c4F)c3)cc12,-7.819 +9887,Cc1n[nH]c2cnc(-c3cncc(CN[C@H](C[NH3+])Cc4ccc(F)cc4F)c3)cc12,-7.816 +9760,Cc1n[nH]c2ccc(-c3cncc([C@@H]4[NH2+]CC[C@H]4CN[C@H](C[NH3+])Cc4cccc(F)c4)c3)cc12,-7.816 +8162,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,-7.816 +9955,Cc1n[nH]c2ncc(-c3ccc(C(=O)N[C@H]([NH3+])Cc4cccc(C(F)(F)F)c4)s3)nc12,-7.808 +8614,Cc1n[nH]c2ccc(-c3cncc(O[C@@H](C[NH3+])c4ccccc4)c3)cc12,-7.806 +8221,CNC(=O)C[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.805 +8962,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NCCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.801 +8937,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccc(Cl)cc4)s3)cc12,-7.8 +9731,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](C[C@@H](O)CO)CC[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.789 +9473,C[C@H]1c2c(ncnc2N2CCN(C(=O)[C@H](C[NH2+]C(C)(C)C)c3ccc(C(F)(F)F)c(F)c3)CC2)[C@@H]1O,-7.789 +8406,Cn1nccc1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c(F)c1,-7.788 +9068,Cc1sc(C(=O)N[C@H](C[NH3+])Cc2ccccc2C(F)(F)F)cc1-c1c(Cl)cnn1C,-7.788 +8740,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC[C@@H](O)CO)C[C@H]2c2ccc(F)cc2)oc1Cl,-7.787 +8189,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2C(F)(F)F)oc1Cl,-7.787 +9460,Cc1n[nH]c2cnc(-c3cnc(C#N)c(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-7.786 +9019,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(Br)c4)c3)cc12,-7.784 +8592,CC(C)[NH2+]C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CNC1=O,-7.781 +8383,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCn3cc[nH+]c3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.781 +9751,Cn1nccc1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-7.781 +8103,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(C(F)(F)F)c(O)cc4O)c3)cc12,-7.78 +8784,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(C(F)(F)F)c2)oc1Cl,-7.778 +9223,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC3CCC3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Br,-7.775 +9740,[NH3+]C1(C(=O)N[C@H](CO)c2ccc(Cl)cc2)CCN(c2ncnc3ccccc23)CC1,-7.765 +9515,[NH3+]C[C@H](Cc1cccc(F)c1)NC(=O)c1ncc(-c2ccc3n[nH]cc3c2)s1,-7.765 +8610,Cc1n[nH]c2ccc(-c3cncc(O[C@@H]([NH3+])Cc4ccc(Br)cc4)c3)cc12,-7.76 +8678,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+](C)C)C[C@H]2c2cc(Cl)c(Cl)c(Cl)c2)oc1Cl,-7.759 +9671,CC(C)[NH2+]C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)CC1,-7.759 +8432,CNC(=O)C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.758 +9969,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc5c4OC(F)(F)O5)c3)cc12,-7.756 +9159,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCOC(C)=O)C[C@H]2c2ccc(Cl)c(F)c2)oc1Cl,-7.753 +8902,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC3CCC3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.751 +8767,CNC(=O)Nc1ncnc2[nH]ccc12,-7.75 +8634,CC(C)(O)C#Cc1cc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc(Br)c1-c1ccnc2[nH]ccc12,-7.749 +9177,C=Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)c3)cc12,-7.747 +8543,[NH3+]C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1ccc(-c2c[nH]c3ccccc23)s1,-7.746 +9750,O=C(N[C@@H]1CCC[NH2+]C[C@H]1NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1,-7.746 +8125,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(C(F)(F)F)cc2)oc1Cl,-7.745 +2425,O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1,-7.743 +9781,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+](C)C)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-7.743 +9429,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(C#N)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-7.743 +8289,Cc1cnn(C)c1-c1ccc(C(=O)N[C@H](C[NH3+])Cc2ccc(Cl)cc2Cl)o1,-7.743 +3981,Cc1ccnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1,-7.741 +8332,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH2+]C2CCOCC2)Cc2cccc(F)c2)oc1Cl,-7.74 +8341,C[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3ccccc23)CC1)c1ccc(F)cc1,-7.738 +9382,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)CC1)c1ccc(Cl)cc1,-7.738 +9688,COCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.736 +9656,Cn1ncc(Br)c1-c1cc(C(=O)N[C@@H](C[NH3+])Cc2cccc(F)c2)sc1Cl,-7.735 +9708,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(I)cc4Br)c3)cc12,-7.735 +8979,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-7.733 +8370,COc1ccc(C[C@@H](C[NH3+])NC(=O)c2cc(Br)c(-c3ccnc4[nH]ccc34)s2)cc1,-7.73 +9336,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2C(F)(F)F)sc1Cl,-7.723 +9464,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CC[NH2+]CC[C@H]2c2ccc(F)c(C(F)(F)F)c2)oc1Cl,-7.723 +8416,[NH3+][C@H](COc1cncc(-c2ccc3[nH]ncc3c2)c1)Cc1c[nH]c2ccccc12,-7.72 +4238,Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1C,-7.72 +9149,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1,-7.716 +8812,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CCC[C@H]2c2ccc(F)c(F)c2)oc1Cl,-7.703 +8218,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccncc2)oc1Cl,-7.698 +9841,CCc1sc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)cc1-c1c(Cl)cnn1CC,-7.692 +8939,[NH3+][C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1c[nH]c2ccccc12,-7.685 +8578,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-7.682 +9031,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCOCC3)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-7.681 +8520,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(C(N)(F)F)ccc4F)c3)cc12,-7.68 +8306,O=C1Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(F)(F)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc2C1(F)F,-7.677 +8461,CC(C)[C@H](C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3ccc(N)cc23)CC1)c1ccc(Cl)cc1,-7.676 +9327,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12,-7.675 +5433,O=C(N1CCCC[C@@H]1c1nc(-c2ccncc2)n[nH]1)C1(c2ccccc2)CC1,-7.671 +9112,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1cc[nH]c1,-7.67 +9313,CC(C)[NH2+]C[C@@H](C(=O)N1CCN(c2ncnc3cnccc23)CC1)c1ccc(Cl)cc1,-7.67 +7365,COc1cc([C@H]2CC(=O)Nc3[nH]ncc32)ccc1O,-7.662 +8613,CC(=O)NCC[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3cccc(Cl)c3Br)c(Br)o2)C[NH2+]1,-7.661 +8571,Cc1n[nH]c2ncc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-7.66 +8612,CC(C)=C1C(=O)Nc2ccc(N[C@@H](COc3cncc(-c4ccc5cnccc5c4)c3)COc3ccc4c(c3)OC(F)(F)C(F)(F)O4)cc21,-7.66 +8228,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2C(F)(F)F)oc1Cl,-7.658 +3327,Nc1nc(CSC(=S)N2CCOCC2)nc(Nc2ccc(F)cc2)n1,-7.656 +8687,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(I)c4)c3)cc12,-7.652 +9230,[NH3+][C@H](COc1cncc(-c2cnc3[nH]ncc3c2)c1)Cc1c[nH]c2ccccc12,-7.651 +9872,CC(=O)NCC[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CC[NH2+]1,-7.64 +8856,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(N)=O)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.635 +9071,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1,-7.635 +8697,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1c[nH]c2ccccc12,-7.633 +8236,COc1sc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)cc1-c1c(Cl)cnn1C,-7.631 +9398,C[NH2+]C[C@H](Cc1ccc(F)c(F)c1)NC(=O)c1ccc(F)c(F)c1,-7.629 +8887,CC(=O)OCC[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(C)o2)C[NH2+]1,-7.623 +4206,N#Cc1ccc(N2CC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C[C@@H]2C(N)=O)cc1C(F)(F)F,-7.623 +8881,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)oc1Cl,-7.622 +8546,[NH3+][C@H](CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,-7.62 +8190,CC(=O)Nc1nc2ccc(-c3cncc(N[S@](=O)C[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc2s1,-7.619 +8830,Cc1cnn(C)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)oc1Cl,-7.619 +9284,CNC(=O)C[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.616 +9108,[NH3+][C@H](COc1cncc(-c2ccc3cc(CO)[nH+]c-3cc2)c1)Cc1ccc(C(F)(F)F)cc1,-7.616 +8173,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cc(C#Cc4cc5cn[nH]c5cn4)n3)nc12,-7.614 +2826,CC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3cccc(C(C)=O)c3)cc12,-7.611 +9950,COc1ccc(Cn2ccc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3C)c2N)cc1,-7.611 +8290,CN(C)C(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.608 +8727,O=C1Cc2cc(NCNC(=O)c3cc(Br)c(-c4ccnc5[nH]ccc45)s3)ccc2N1,-7.606 +8992,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4F)c3)cc12,-7.605 +9783,[NH3+][C@H](COc1cncc(-c2ccc3[nH]ncc3c2)c1)Cc1c(Cl)[nH]c2ccccc12,-7.605 +8319,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCO)C[C@H]2c2ccc(Cl)cc2)oc1Cl,-7.6 +3957,Cc1ccc(NC(=O)c2cc3cc4c5c(c3o/c2=[NH+]/c2ccc(C(=O)[O-])cc2)CCCN5CCC4)cc1,-7.599 +9956,Cc1n[nH]c2ncc(-c3cncc(OC[C@@H]([NH3+])Cc4c(Cl)[nH]c5ccccc45)c3)nc12,-7.595 +9008,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)sc1Cl,-7.595 +8128,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](C[NH2+]C(C)(C)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.594 +9157,[NH3+][C@H](COc1cncc(-c2ccc3[nH]c(-c4ccccc4)c-3cc2)c1)Cc1ccc(C(F)(F)F)cc1,-7.593 +8899,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCC(O)CC3)C[C@H]2c2ccc(Cl)c(F)c2)oc1Cl,-7.59 +9012,[NH3+][C@H](COc1cncc(-c2ccc3[nH]ncc3c2)c1)Cc1n[nH]c2ccccc12,-7.585 +8566,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4Br)c3)cc12,-7.585 +158,COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2-c2ccccc2C)cc1,-7.579 +8368,Cc1[nH]c2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2c[nH]c3c(N)ncnc23)c1,-7.578 +9115,C=Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(C)c4)c3)cc12,-7.575 +8414,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(C(N)=O)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-7.575 +9921,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])CC4=CN(C)c5ccccc5C=C4)c3)cc12,-7.567 +9449,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)s3)cc12,-7.566 +9747,Cn1ncc(Br)c1-c1cc(C[NH2+][C@@H]2CN[C@H](CCCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.562 +7332,Cc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)n(C)c(=O)c(=O)n2C,-7.561 +9883,CCc1sc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)cc1-c1c(C)cnn1C,-7.56 +8695,Cc1n[nH]c2ccc(-c3cncc(OC[C@H]([NH3+])Cc4cc(F)cc(C(F)(F)F)c4)c3)cc12,-7.558 +9545,CNC(=O)Nc1ccc(CNc2c(C(=O)N[C@H](C[NH3+])Cc3ccccc3)ccn2C)cn1,-7.555 +9705,Cc1n[nH]c2ccc(-c3ccc(O[C@H](C[NH3+])c4ccccc4)nc3)cc12,-7.55 +8364,[NH3+][C@H](Cc1cc(F)cc(Cl)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-7.546 +9414,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cccc(Cl)c1Cl,-7.545 +8773,Cn1ncc(Br)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)cc1,-7.542 +8953,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NCCO)C[C@H]2c2ccc(Cl)cc2)oc1Cl,-7.541 +8718,Nc1nonc1-c1cc(C[C@@H]([NH3+])C(=O)N2CCN(c3cc[nH+]c4ccccc34)CC2)ccc1Cl,-7.538 +8796,[NH3+]C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1cc(-c2ccc(C=O)cc2Br)c(Cl)s1,-7.536 +534,O=C(NC(=[NH+]CCc1c[nH]c2ccccc12)c1ccc(F)cc1)Nc1cc(Cl)ccc1Cl,-7.535 +8463,COc1cc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)ccc1-c1c(Cl)cnn1C,-7.532 +5076,O=C(NCc1ccccc1)c1cn2c3c(ccc(Cl)c3c1=O)OCC2,-7.532 +9043,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCO)C[C@H]2c2cccc(Cl)c2)oc1Cl,-7.53 +9735,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(C(F)(F)F)ccc4F)c3)cc12,-7.53 +9295,[NH3+][C@H](COc1cncc(-c2ccc3ccncc3c2)c1)Cc1c[nH]c2ccccc12,-7.529 +9512,[NH3+][C@H](COc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1)Cc1c[nH]c2ccccc12,-7.527 +9445,Cn1ncc(Cl)c1-c1cc(C(=O)NC(C[NH3+])C[NH3+])sc1Cl,-7.526 +8551,Cc1ccc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)CC3)c2c1,-7.523 +8366,CC(=O)NCC[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.519 +8326,Cn1nccc1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(Br)c2)cc1Cl,-7.517 +9060,C[C@@H]1CC(=O)Nc2ccc(C[C@H]([NH3+])COc3cncc(-c4ccc5cnccc5c4)c3)cc21,-7.515 +627,CN1C(=O)C(=CNNC(=O)c2ccccc2)C(=O)N(C)C1=O,-7.512 +9526,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)cc4)c3)cc12,-7.511 +8261,Cc1ccc2[nH+]cnc(N3CCN(c4ncnc5[nH]cc(C)c45)CC3)c2c1,-7.51 +4565,CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Cc1c[nH]c2ccccc12,-7.509 +7106,Cc1ccccc1NC(=O)CSc1nc2c(=O)n(C)c(=O)n(C)c2n1C,-7.508 +9689,N[C@H](Cc1ccc(Cl)c(Br)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-7.506 +9959,Cc1n[nH]c2cnc(-c3cncc(OC[C@H](Cc4c[nH]c5ccccc45)Nc4cc5ccncc5s4)c3)nc12,-7.503 +9673,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(OC)c(F)c2)sc1Cl,-7.502 +8191,Nc1ccc2nsc(-c3ccnc4[nH]ccc34)c2c1,-7.499 +8641,N[C@H](C(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-7.499 +9461,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,-7.491 +9943,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OC[C@@H]([NH3+])Cc5ccccc5)c4)c3)cc12,-7.491 +2930,Cn1c(=O)c2nc(SCC(=O)NC3CCCCC3)n(C)c2n(C)c1=O,-7.49 +8263,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ncccc45)c3)cc12,-7.489 +8544,COc1ccc2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-7.489 +9739,[NH3+][C@@H](C(=O)N1CCN(c2ncnc3ccccc23)CC1)c1ccc(Cl)cc1,-7.489 +8915,[NH3+][C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1ccc(C(F)(F)F)cc1,-7.489 +9968,N#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1[nH+]cc2[nH]ccc2c1N,-7.485 +8598,[NH3+][C@@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cccc2c1CC(=O)N2,-7.484 +666,CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(=O)NC)C2)n1,-7.483 +9811,CC(C)(Cc1[nH]cc[nH+]1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-7.479 +8182,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)[O-])C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-7.478 +9170,O=C(c1cccc(F)c1)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.478 +8391,CC(C)[NH2+]C[C@H](Cc1ccc(F)c(F)c1)NC(=O)c1cc(-c2c(Cl)cnn2C)c(Cl)o1,-7.474 +9234,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c(N)nc3-c3ccoc3)nc12,-7.474 +9404,CC(C)(Cc1cccnc1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-7.473 +9251,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(C(F)(F)F)c(F)c2)sc1Cl,-7.471 +8476,O=C1Cc2cc(N[C@H](COc3cncc(-c4ccc5c(c4)CC(=O)N5)c3)Cc3c[nH]c4ccccc34)ccc2N1,-7.47 +9244,COc1ccc(C[C@@H](C[NH3+])NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)cc1,-7.468 +8763,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.464 +8294,[NH3+]CC[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-7.464 +8666,Cc1cc(C(=O)N[C@H](C[NH3+])c2ccccc2)sc1-c1c[nH]c2ncccc12,-7.463 +8785,CCC[C@@H]1C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.461 +8646,COc1cc(O)cc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1,-7.46 +8273,CS(=O)(=O)NCC[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(Br)c(Cl)o2)C[NH2+]1,-7.458 +9424,Cc1c[nH]c2ncnc(N3CCCCC3)c12,-7.452 +9517,Cn1nccc1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1,-7.451 +9654,Cn1nccc1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1,-7.451 +9355,CNC(=O)Nc1ccc(CNc2ncccc2C(=O)N[C@H](C[NH3+])Cc2cccc(C(F)(F)F)c2)[nH+]c1,-7.451 +8459,O=C(N[C@@H]1CCC[NH2+]C1)c1ccncc1,-7.451 +8503,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(Cl)cc2Cl)sc1Cl,-7.449 +8815,Cc1n[nH]c2cnc(C3=COC(Br)=CC(C(=O)[N-][C@H](C[NH3+])Cc4ccc(F)c(F)c4)=C3)cc12,-7.449 +7017,Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3/SC(=S)N(CCCCCC(=O)[O-])C3=O)c(=O)n2c1,-7.448 +8654,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OC(F)(F)F)c4)c3)cc12,-7.44 +8185,Cn1nccc1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)oc1Cl,-7.439 +8390,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4cccs4)c3c2)c1)Cc1c[nH]c2ccccc12,-7.439 +9483,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cn(C)c5ccccc45)c3)cc12,-7.435 +8201,CC(C)n1cc(C(=O)c2cncc(N[C@@H]3C[NH2+]C[C@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21,-7.43 +9099,Cc1n[nH]c2ncc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12,-7.429 +8639,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(C(F)(F)F)c2)cc1Cl,-7.429 +9261,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2C[NH2+][C@@H](CCNS(C)(=O)=O)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-7.427 +8561,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NCCO)C[C@H]2c2ccc(F)cc2)oc1Cl,-7.426 +8123,Cc1n[nH]c2ncc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)c3)cc12,-7.424 +9346,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(OCC[NH3+])cn4)c3)cc12,-7.424 +9991,Cc1ccc(C(F)(F)F)cc1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-7.421 +9772,CCc1c(C)[nH]c([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)c1C,-7.421 +9839,Nc1cc2[nH]ncc2cc1-c1cncc(OC[C@@H]([NH3+])Cc2cccc(C(F)(F)F)c2)c1,-7.421 +1669,O=C([O-])c1cccc(Cn2c[n+](N[N+](=O)[O-])cn2)c1,-7.419 +9437,Cn1nccc1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(C(F)(F)F)c2)c1,-7.419 +2018,CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,-7.419 +8233,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Br)cc4F)c3)cc12,-7.417 +4631,C[C@H](NC(=O)CNC(=O)COc1cccc2oc(=O)c3ccccc3c12)C(=O)[O-],-7.417 +9011,[NH3+][C@H](COc1cncc(-c2ccc3cnc(F)cc3c2)c1)Cc1c[nH]c2ccccc12,-7.416 +8120,Cc1n[nH]c2ccc(-c3cncc(N[C@@H]([NH3+])Cc4cc(F)cc(C(F)(F)F)c4)c3)cc12,-7.414 +8989,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc5ccccc45)c3)cc12,-7.412 +1800,Cc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c(Cc2ccc(Cl)cc2)c(C)[nH+]1,-7.411 +8723,Cc1n[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]nc(N(C)C)c5c4)c3)Cc3ccccc3)cc12,-7.406 +3108,COc1cccc(-c2nc(SCc3cc(=O)c4ccc(C)c(C)c4[nH]3)n[nH]2)c1,-7.404 +8963,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,-7.403 +9699,C[NH+]1CCN(c2ncnc(N)c2Br)CC1,-7.401 +9151,CNc1c(Cl)cccc1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-7.401 +9264,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])c2cccc(C(F)(F)F)c2)oc1Cl,-7.399 +8142,[NH3+]C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(-c2ccccc2F)s1,-7.399 +9154,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCCCC3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.398 +8446,[NH3+][C@H](COc1cc(-c2ccc3cnccc3c2)cnc1Cl)Cc1c[nH]c2ccccc12,-7.398 +8313,CCc1c(C)[nH]c([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)c1C,-7.396 +1687,O=C(NC1CCCC1)[C@H]1CCCn2c(-c3ccncc3)nnc21,-7.396 +8892,C#Cc1nc2c(OCCC[NH2+]CCc3ccc(OC)cc3)cncc2nc1[C@H]1CCC1=[NH2+],-7.395 +2188,COCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)o2)n1,-7.394 +8166,CCn1ncc(C)c1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1,-7.388 +9482,Cn1ncc(Cl)c1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)cc2)c1,-7.386 +8640,CC(C)n1cc(C(=O)c2n[nH]c3ccc(F)cc23)c2c(N)ncnc21,-7.386 +9909,Cc1n[nH]c2ccc(-c3cncc(O[C@@H]([NH3+])Cc4ccc5ccccc5c4)c3)cc12,-7.384 +8696,CNC(=O)C[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3ccnn3C)co2)C[NH2+]1,-7.38 +1478,Nc1nc(C[NH+]2CCN(c3ccc(F)cc3)CC2)nc(Nc2ccccc2Cl)n1,-7.379 +9604,Cc1n[nH]c2ncc(-c3cncc(OC[C@@H]([NH3+])Cc4c(F)cc(F)cc4F)c3)cc12,-7.378 +9387,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)cc4C(F)(F)F)c3)cc12,-7.375 +9082,O=C(Cc1ccc(F)cc1)Nc1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.372 +447,O=C(C[NH2+]C1CCCCC1)N1CC[NH+](Cc2ccncc2)CC1,-7.366 +2554,Cn1ncc(C(=O)NC2CC[NH+](C)CC2)c1-n1cccc1,-7.362 +9400,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2cncs2)cc1,-7.362 +9044,Cn1ncc(Cl)c1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1,-7.36 +9229,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCCCC3)C[C@H]2c2ccc(F)cc2)oc1Cl,-7.36 +9727,Nc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12,-7.359 +8168,[NH3+][C@H](COc1cncc(-c2ccc3[nH]ncc3c2)c1)Cc1cccc(OC(F)(F)F)c1,-7.357 +8111,O=C(N[C@H](CO)c1ccc(Cl)cc1)C1CCN(c2ncnc3ccccc23)CC1,-7.355 +652,O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2nnc3cccnc32)cc1,-7.35 +8455,[NH3+]C[C@H](NC(=O)c1ccc(-c2c[nH]c3ccccc23)s1)c1ccccc1,-7.349 +6902,Cc1cccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4ccsc4n3)cc2)c1,-7.347 +8877,Cn1nccc1-c1cnc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c(F)c1,-7.346 +1424,CCc1ccc(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3Cc3cc(C)ccc3C)CC2)cc1,-7.345 +8386,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3cc(F)ccc23)CC1,-7.338 +8403,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(Cl)c4)c3)cc12,-7.337 +9260,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(Cl)c2)oc1Cl,-7.33 +9550,Cc1ccc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)cc1F,-7.329 +9069,C[NH+](C)C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-7.329 +529,O=C(CN1CCCc2nc(-c3ccncc3)ncc2C1=O)NCCC[NH+]1CCCC1,-7.328 +8567,Nc1nsc(NC[C@@H]([NH3+])Cc2ccc(Cl)cc2)c1Br,-7.328 +9864,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2[nH]cc[nH+]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-7.328 +8617,Cc1n[nH]c2ccc(-c3cncc(OC[C@H](Cc4ccccc4)Nc4cc5ccncc5s4)c3)cc12,-7.326 +9871,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)N3CCCC3)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-7.325 +8310,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)oc1Cl,-7.323 +9496,Cc1c[nH]c2ncnc(N3CCCC[N@@H+](C)CCC3)c12,-7.323 +9506,Cc1n[nH]c2ncc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc5ccccc45)c3)cc12,-7.315 +9306,CCc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12,-7.314 +9144,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12,-7.313 +9084,Cc1cccc([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)c1,-7.311 +9359,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)ccc1Br,-7.311 +9617,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4coc(C(F)(F)F)c4)c3)cc12,-7.309 +8373,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4F)c3)cc12,-7.308 +9222,Cc1cnn(C)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2)sc1Cl,-7.307 +9311,COCC[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.297 +2316,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c(C(F)(F)F)c1,-7.294 +8204,[NH3+][C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1cccc(Cl)c1,-7.294 +9239,CC(C)[NH2+]C[C@H](Cc1ccc(Cl)cc1)NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1,-7.291 +8593,Cc1n[nH]c2ccc(-c3ncc(NC[C@@H]([NH3+])Cc4ccccc4)s3)cc12,-7.288 +9803,Cc1ccc([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)o1,-7.288 +9277,C[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)C)c4ccc(Cl)cc4)CC3)c21,-7.283 +8099,CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)oc1Cl,-7.282 +9098,[NH3+][C@H](COc1cncc(-c2cc(Cl)c(O)cc2O)c1)Cc1c[nH]c2ccccc12,-7.28 +9879,N#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,-7.28 +3960,O=C(CN1C(=O)/C(=C\c2ccccc2F)Sc2ccccc21)NCc1ccc(F)cc1,-7.28 +8460,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,-7.278 +8975,CCn1c(N)cnc1-c1sc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)cc1Br,-7.277 +6772,COC(=O)CCC(=O)NC[C@@H](NC(=S)c1cccs1)C(=[NH2+])Nc1cccc2ccccc12,-7.274 +9905,Cn1ncc(O)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)oc1Cl,-7.274 +1398,COc1ccccc1CCNC(=O)CSc1nc2c(=O)n(C)c(=O)n(C)c2n1C,-7.274 +8255,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c(C#N)[nH]c5ccccc45)c(N)nc3-c3ccoc3)nc12,-7.273 +4868,Cc1c(N[C@@H](C(=O)N/N=C/c2ccc(O)cc2O)c2cccnc2)c(=O)n(-c2ccccc2)n1C,-7.273 +8394,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)[O-])C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.27 +8836,CC(C)[NH2+]C[C@H](Cc1ccc(Cl)c(F)c1)C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)CC1,-7.27 +2742,Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(NCCO)nc12,-7.269 +9266,Cc1ccc([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)cc1C,-7.269 +8722,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)[O-])C[C@H]2c2ccc(Cl)cc2)oc1Cl,-7.268 +9204,Cc1occc1-c1cnc(OC[C@@H]([NH3+])Cc2c(C(N)=O)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-7.268 +4135,COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3)CC2)c1,-7.268 +2895,O=C(c1ccc2c(c1)OCO2)N1CCCn2nc(-c3ccsc3)cc2C1,-7.266 +9018,[NH3+]C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1cccnc1,-7.265 +9462,[NH3+][C@@H](COc1cncc(-c2ccc3ccncc3c2)c1)Cc1c[nH]c2ccccc12,-7.265 +9749,[NH3+][C@H](CNc1nnc(C2=C3C(=CN=C3F)C=C2)s1)Cc1ccc(Cl)cc1,-7.265 +8693,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)c3)cc12,-7.264 +8636,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(C(F)(F)F)cc2)sc1Cl,-7.263 +5452,O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CC[NH+](Cc2ccccc2)CC1,-7.263 +9434,[NH3+]C1(C(=O)N[C@H](CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCN(c2c3cc[nH]c3nc3[nH]ccc23)CC1,-7.262 +3569,C=CC[n+]1c(N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3cccc(C)c3nc21,-7.262 +9272,[NH3+][C@H](CNc1cncc(-c2ccc3[nH]cc(F)c3c2)c1)Cc1ccccc1,-7.261 +8424,C=CC[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.26 +8731,O=C1Nc2ccc(-c3ccc4cnccc4c3)cc2[C@H]1c1ccco1,-7.26 +8712,CC(C)(Cc1cc[nH]c1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-7.258 +9719,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCCC[NH3+])c4)c3)cc12,-7.256 +3812,CC[C@H](C)[C@H](NC(=O)CNC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-],-7.256 +9270,CNc1ncc(Br)c(-c2ccc(C(=O)N[C@H](C[NH3+])Cc3ccc(Cl)cc3Cl)s2)n1,-7.254 +8884,COc1sc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)cc1-c1c(Br)cnn1C,-7.25 +9300,[NH3+][C@H](COc1cnc(-c2cccnc2)c(-c2ccc3c(c2)C(F)(F)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-7.25 +9035,[NH3+][C@H](COC1=C/N=C\C(C2=CC(c3ccc4c(c3)C(=O)C(=O)N4)=C2)=C/N=C\1)Cc1c[nH]c2ccccc12,-7.25 +2007,O=C(Nc1ccccc1SCc1cc(=O)n2ccccc2n1)c1ccc(Cl)cc1,-7.248 +8954,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1ccc(Cl)c(F)c1,-7.248 +6467,O=C(c1cccs1)C(F)(F)F,-7.248 +9932,NNc1cc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cnc1Cl,-7.248 +8966,c1ccc2c(C[C@@H](COc3cncc(-c4cc5ccncc5s4)c3)Nc3cc4ccncc4s3)c[nH]c2c1,-7.247 +3872,Oc1cccc(C2=NO[C@](O)(C(F)(F)F)C2)c1,-7.246 +8791,[NH3+][C@H](COc1cncc(-c2cnc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,-7.246 +8883,C[C@@H]1C(=O)Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)[C@@H](C)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc21,-7.245 +8778,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OCO5)c3)cc12,-7.244 +8677,Cn1ncc(Cl)c1-c1coc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCCCC3)C[C@H]2c2ccc(Cl)c(Cl)c2)c1,-7.243 +9332,COc1cncc(OC[C@H]([NH3+])Cc2c[nH]c3ccccc23)c1,-7.242 +920,O=C(Cc1nnc(-c2cnccn2)o1)Nc1ccc(F)cc1F,-7.24 +8491,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)ccc1Cl,-7.24 +8293,CC(C)=C1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-7.238 +8870,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)c3)cc12,-7.237 +9780,Cn1ncc(Br)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(C(F)(F)F)c2)oc1Cl,-7.237 +9935,[NH3+][C@H](COc1cnnc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)c1)Cc1c[nH]c2ccccc12,-7.231 +9377,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,-7.229 +8239,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12,-7.227 +9755,CCC[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-7.225 +5017,Cc1cc(Cl)cc2c1NC=CC(=O)N2C,-7.225 +8743,Cn1ncc(-c2cccc(F)c2)c1C(=O)N[C@H](C[NH3+])Cc1ccc(C(F)(F)F)cc1,-7.224 +9712,Cc1ccccc1C[C@H]([NH3+])CNc1nnc(-c2ccc3n[nH]cc3c2)s1,-7.22 +8999,Nc1cc2[nH]nc(Cl)c2cc1-c1cncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1,-7.219 +7478,COc1cc([C@@H]2CC(=O)Nc3[nH]c(SCc4ccccc4)nc(=O)c32)ccc1OCC(N)=O,-7.218 +3194,O=[N+]([O-])c1cccc(-c2nnn(C[NH+]3CCCCC3)n2)c1,-7.216 +8807,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(F)c4F)c3)cc12,-7.216 +7851,CCn1c(NCC[NH+]2CCOCC2)nc2c1CCC(=O)N2C,-7.215 +8982,[NH3+]C[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3[nH]ccc23)s1,-7.214 +8215,CC(C)NC(=O)C[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.212 +1874,O=C(CCc1ccc2c(c1)CCO2)NCCn1ccc2ccccc21,-7.209 +9034,COc1cc2cnccc2cc1C(=O)N[C@H](c1ccc(Cl)c(Cl)c1)C1CCN(c2ncnc3[nH]ccc23)CC1,-7.209 +9476,COc1ccc(O)c(C(=O)c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccc(F)c(F)c3)cc2)c1F,-7.206 +8101,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(C[NH3+])ccc4Cl)c3)cc12,-7.205 +9365,COc1cc2cnccc2cc1C(=O)N[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1,-7.203 +9021,Cc1ccc(Oc2cc(O)cc([O-])c2-c2cc(C(=O)NC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)no2)cc1F,-7.201 +9852,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])c2ccccc2)sc1N,-7.197 +9840,Cc1occc1-c1nc(C#N)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-7.196 +9994,CCn1nccc1-c1sc(C(=O)N[C@H](C[NH3+])Cc2ccc(OC)cc2)cc1Br,-7.194 +3911,O=C(NCCc1c[nH]c2ccccc12)c1cc2cccc(Cl)c2s1,-7.191 +9597,Cc1c[nH]c2c(N3CCN(C(=O)[C@H](C[NH2+][C@H](C)CCCO)c4ccc(Cl)cc4)CC3)ncnc12,-7.189 +8993,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)cc4)c3)cc12,-7.188 +9925,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(C4CC4)c3c2)c1)Cc1c[nH]c2ccccc12,-7.187 +9814,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(C(F)(F)F)c2)oc1Cl,-7.185 +9184,Cc1[nH]c2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-7.184 +7252,Cc1ccc(Cn2cc(CCC(=O)NCc3cccnc3)c3ccccc32)cc1,-7.184 +8259,COc1ccc(C[C@@H](C[NH3+])NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)s2)cc1,-7.183 +9301,C=CC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.181 +8117,CC(C)(Cc1ccccc1C(F)(F)F)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-7.18 +9630,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C\c2ccco2)C(=O)N3)c1)Cc1ccccc1,-7.178 +8765,Cc1nc(-c2ccoc2)c(-c2cnc3[nH]nc(C)c3c2)cc1OC[C@@H]([NH3+])Cc1c[nH]c2ccccc12,-7.173 +8381,C[NH2+]C[C@H](Cc1ccc(F)c(F)c1)NC(N)=O,-7.173 +9178,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(F)(F)C(=O)N3)c1)Cc1ccc(Br)c(F)c1,-7.173 +8407,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(C#N)[nH]c3ccccc23)cc1-c1ccc2[nH]nc(C)c2c1,-7.172 +9540,Cc1oc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)cc1C(F)(F)F,-7.171 +6374,Cc1cccn2c(=O)cc(CSCC(=O)Nc3ccccc3Cl)nc12,-7.17 +8762,[NH3+]C[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(-c2ccncc2Br)c(Cl)s1,-7.168 +8300,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(C(F)(F)F)cc2)cc1Cl,-7.166 +9854,[NH3+][C@H](CNc1nnc(-c2cccc3[nH]ccc23)s1)Cc1ccc(Cl)cc1Cl,-7.165 +6201,O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCN(Cc1cccc(C(F)(F)F)c1)C2=O,-7.161 +9952,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)ccc1F,-7.16 +9702,[NH3+][C@@H](COc1cncc(-c2ccc3[nH]ncc3c2)c1)Nc1ccc(Br)cc1,-7.157 +7425,O=C(Cc1nc(Cc2ccc(F)cc2)n[nH]1)Nc1ccc(F)cc1Cl,-7.151 +8733,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.151 +9006,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)cc1-c1c(Br)cnn1C,-7.151 +9273,C#Cc1ncc(OC[C@@H](N)C[NH2+]C(C)(C)C)cc1-c1ccc2cnccc2c1,-7.15 +8757,[NH3+][C@H](COc1cnc(-c2cc(F)ccc2O)c(-c2ccncc2)c1)Cc1ccccc1F,-7.149 +7649,Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c12,-7.146 +4888,Cc1ccc(-n2ncc(Oc3ccccc3F)c(Nc3cccc(C(=O)NCc4ccccc4)c3)c2=O)cc1C,-7.146 +3550,Cc1cccc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@]3(CO)C2)c1,-7.141 +9913,CC1(C)C(=O)C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-7.14 +725,CCCN1Cc2cccc(C(=O)Nc3cccc(C(C)=O)c3)c2C1=O,-7.138 +8952,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC(F)(F)F)c4)c3)cc12,-7.137 +9858,CCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.135 +9047,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3Cl)cc12,-7.134 +8760,Clc1ccccc1CC[NH2+]CC1CC[NH2+]CC1,-7.133 +8211,Nc1ccc2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Br)cc4)CC3)c2c1,-7.133 +9812,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4OC(F)(F)F)c3)cc12,-7.128 +8138,[NH3+][C@H](CNc1cnc(Cl)o1)Cc1cccc(F)c1,-7.125 +9981,Nc1n[nH]c2ccc(-c3cncc(OC[C@@H](C[NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-7.125 +9106,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Sc4cccc(C(F)(F)F)c4)c3)cc12,-7.123 +8457,Cc1n[nH]c2ccc(-c3cncc(NC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12,-7.12 +8635,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c(C#N)nc3-c3ccoc3)cc12,-7.12 +8788,C[NH2+]Cc1ccc(O)c([C@H](c2cc(O[C@@H](C[NH3+])Cc3ccccc3)ncc2F)c2cccc3cnccc23)c1,-7.12 +9289,Cc1nc(-c2ccoc2)c(-c2cnc3[nH]nc(C)c3n2)cc1OC[C@@H]([NH3+])Cc1c[nH]c2ccccc12,-7.12 +9961,Cc1ccc(Br)c(C)c1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-7.117 +8470,CC(C)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.116 +7721,O=C(c1ccccc1)N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1,-7.115 +5113,O=C(NCc1cccnc1)c1nc[nH]c1C(=O)NCc1ccccc1F,-7.115 +9049,Cc1cc(F)cc(C[C@H]([NH3+])COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)c1,-7.114 +1721,O=C(/C=C/c1ccc2c(c1)OCO2)Nc1c2c(nc3ccccc13)CCCC2,-7.113 +8629,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(C(N)=O)[nH]c3ccccc23)cc1-c1ncc2[nH]nc(C)c2n1,-7.113 +8698,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)c(F)c4)c3)cc12,-7.11 +9175,N[C@@H](C(=O)C1CCN(c2ncnc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,-7.109 +8928,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(N4CCOCC4)c3c2)c1)Cc1c[nH]c2ccccc12,-7.106 +8738,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(F)c4)c3)cc12,-7.105 +6299,Cc1cnn(CCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C[NH+](C)C)c1,-7.104 +7540,COc1ccc(CCNC(=O)Nc2c(-c3ccc(Cl)cc3)nn(-c3cc(F)ccc3F)c2N)cc1,-7.103 +8507,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)oc1Cl,-7.102 +9168,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)c1ccccc1,-7.099 +9294,COc1sc(C(=O)N[C@H](C[NH3+])Cc2cccc(C(F)(F)F)c2)cc1-c1c(Cl)cnn1C,-7.097 +9045,C[C@@H](F)c1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)cc1,-7.097 +2023,CCOc1cccc2cc(C(N)=O)/c(=[NH+]\c3cccc(OC)c3)oc12,-7.096 +910,CCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1,-7.096 +8623,[NH3+][C@H](COc1cncc(-c2ccc3cnc(C#CCc4ccccc4)cc3c2)c1)Cc1c[nH]c2ccccc12,-7.093 +9288,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]([NH3+])Cc3ccccc3)c21,-7.092 +8504,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)cc4F)c3)cc12,-7.091 +8681,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)c(F)c4)c3)cc12,-7.091 +9287,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)c1)Cc1ccc(C(F)(F)F)cc1,-7.091 +9428,CC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)co2)C[NH2+]1,-7.09 +893,C#Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=[NH+]/c2ccc(C)cc2)c1,-7.089 +8961,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2c(c1)[C@@H](C(C)(C)Cc1cc[nH]c1)C(=O)N2,-7.087 +9493,Cc1occc1-c1cc(C(=O)N[C@H](CC[NH3+])c2ccccc2)sc1-c1ccc2cnccc2n1,-7.083 +9828,Cc1cc([C@@H]2C(=O)Nc3ccc(-c4ccnc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)oc1C,-7.082 +8292,CCC[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-7.08 +8181,Nc1cc2[nH]nc(Cl)c2cc1-c1coc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1,-7.078 +8474,Cc1n[nH]c2cnc(-c3cncc(OCC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-7.078 +8748,Cc1ccc(F)cc1C[C@H]([NH3+])COc1cncc(-c2ccc3cnccc3c2)c1,-7.078 +8322,[NH3+][C@H](COc1cncc(-c2cc3c(-c4ccno4)n[nH]c3cn2)c1)Cc1ccccc1,-7.075 +8534,C#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccccc1,-7.074 +4094,CC(C)Cn1c(SCc2ccncc2)nc2cc(C(=O)NC3CCCC3)ccc2c1=O,-7.071 +9511,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)cc1F,-7.069 +6648,O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1ccccc1Cl,-7.064 +8848,Cc1n[nH]c2ncc(C3=C(c4ccoc4)/N=C\C(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)=C/N=C\3c3ccoc3)nc12,-7.063 +9917,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccco2)C(=O)NN3)c1)Cc1c[nH]c2ccccc12,-7.062 +9457,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccc2ccccc2c1,-7.061 +3378,CCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1,-7.059 +8653,[NH3+][C@H](COc1cncc(-c2ccc3[nH]ccc3c2)c1)Cc1csc2ccccc12,-7.059 +9598,[NH3+][C@H](COc1cnc(-c2ccccc2)c(-c2ccc3cnccc3c2)c1)Cc1n[nH]c2ccccc12,-7.056 +8864,O=C(N[C@@H]1C[NH2+]CCC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccncc2)o1,-7.054 +7420,Cc1ncc(CO)c(C2CCN(C(=O)c3cn[nH]c3)CC2)n1,-7.053 +8304,[NH3+][C@H](COc1cnc(-c2cc(Cl)ccc2O)nc1)Cc1c[nH]c2ccccc12,-7.048 +9487,C[NH+]1CC([C@@H](NC(=O)c2ccc3cnccc3c2)c2ccc(Cl)c(Cl)c2)C1,-7.048 +8495,C[NH2+]C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1cc(-c2c(Cl)cnn2C)c(Cl)o1,-7.047 +8669,[NH3+][C@H](COc1cncc(-c2ccc3[nH]c(=O)sc3c2)c1)Cc1c[nH]c2ccccc12,-7.046 +3609,Cn1c(=O)c2nc3c(cc2n(C)c1=O)[nH]c1ccccc13,-7.044 +4397,O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1,-7.044 +8269,Cc1occc1-c1ncc(OC[C@@H]([NH3+])Cc2cccc(C(F)(F)F)c2)cc1-c1cc2c(Cl)n[nH]c2cn1,-7.044 +9717,[NH3+]C[C@@H]([NH3+])Cc1cc(F)c(F)cc1C(F)(F)F,-7.043 +8752,COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc(-c2c(Br)cnn2C)c1,-7.043 +9468,Cc1occc1-c1cc(OC[C@@H]([NH3+])Cc2cc(C(F)(F)F)ccc2O)cc(-c2ccc3[nH]nc(C)c3c2)c1,-7.043 +9463,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)cc1,-7.042 +228,Fc1ccc(F)c2scnc12,-7.042 +9315,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])c4cccc(C(F)(F)F)c4)c3)cc12,-7.041 +8553,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Br)cc4F)c3)cc12,-7.041 +490,O=C(C1CCCC1)N1CCC([N@H+]2CC[C@@]23C[C@H](Cc2ccccc2)C(=O)N(CC2CC2)C3)CC1,-7.039 +689,O=C1NC(c2ccc(Cl)cc2)=NN(CCO)c2[nH]c(=O)ccc21,-7.039 +9897,Cc1cc([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)sc1C,-7.038 +9161,COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3C)c2N)cc1,-7.037 +8380,C#Cc1ccc(OC[C@@H]([NH3+])Cc2c(C#N)[nH]c3ccccc23)cc1-c1cc2c(C)n[nH]c2cn1,-7.034 +8147,Cc1n[nH]c2ccc(-c3cncc(NC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-7.032 +9087,C[NH2+]C[C@H](Cc1ccc(F)c(F)c1)NC(=O)c1cc(-c2c(Cl)cnn2C)c(Cl)o1,-7.031 +8311,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)ccc1F,-7.03 +9963,Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)s3)cc12,-7.029 +9290,CC(=O)Nc1nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(=C(C)C)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc2s1,-7.028 +9419,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)c3)cc12,-7.027 +7467,O=C(CN1CCCc2nc(-c3ccncc3)ncc2C1=O)NCc1ccco1,-7.026 +6222,Cc1ncccc1C(=O)N1CCC(c2nc(-c3cccn3C)no2)CC1,-7.025 +9518,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(Cl)c4c3)c2)ccc1F,-7.025 +9619,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccc(F)c(F)c1F,-7.023 +2275,CN(C)c1nc[nH+]c2c1CN(C(=O)c1cccc(F)c1)CC2,-7.023 +9318,Cn1nccc1-c1ccc(C(=O)N[C@H](C[C@H]([NH3+])C2CC2)c2ccc(Cl)c(F)c2)c(F)c1,-7.02 +9358,Cc1occc1-c1nc(N)c(OCC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-7.019 +3456,Cc1cc(C(=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)o1,-7.016 +9971,O=C(NCc1cccc(O)c1)Nc1cnc(Cl)c(-c2ccncc2)n1,-7.013 +8842,C[C@@H]1C(=O)C(=O)Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(F)(F)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc21,-7.012 +3691,COc1ccc(NC(=O)Cn2nnc(-c3ccncc3)n2)cc1,-7.012 +4324,O=C(c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc3c(c2)OCO3)n1)N1CCN(c2ccccc2F)CC1,-7.01 +8287,[NH3+][C@H](COc1cncc(-c2cc3c(-c4ccoc4)n[nH]c3cn2)c1)Cc1ccc(F)c(F)c1F,-7.009 +8160,[NH3+]C[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-7.007 +5121,CSc1cccc(NC(=O)Nc2cc(NC(=O)c3cccc(C)c3)ccc2N2CCCCC2)c1,-7.006 +8619,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC3CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-7.006 +8110,COc1ccc(O)c(C(=O)c2ccc(C(=O)O[C@@H]3CCC[NH2+]C[C@H]3NC(=O)c3ccncc3)cc2)c1F,-7.004 +8799,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)c(F)c4)c3)cc12,-7.004 +8545,Cc1cc(F)ccc1C[C@H]([NH3+])COc1cncc(-c2cc3c(C)n[nH]c3cn2)c1,-7.002 +8647,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(Cl)c4)c3)cc12,-7.001 +9185,Cc1n[nH]c2ccncc12,-6.998 +9970,COCC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-6.998 +8350,C[NH2+]C[C@H](NC(=O)c1cc(-c2c(C)cnn2C)c(Cl)o1)c1ccc(Cl)c(Cl)c1,-6.994 +7734,O=C(Cn1ccc2c[nH+]ccc21)N1CCCn2nc(-c3ccc(C(F)(F)F)cc3)cc2C1,-6.988 +9823,Nc1nnnc(NC[C@@H]([NH3+])Cc2cccc(C(F)(F)F)c2)c1Br,-6.987 +9928,O=C(NCC1CCOCC1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-6.987 +8224,COc1cccc(N[C@H]([NH3+])COc2cc(-c3ccc4[nH]nc(N)c4c3)c(C)s2)c1,-6.985 +5325,Cc1cc(=O)oc2cc(OCC(=O)NNc3ccc(F)cc3Cl)ccc12,-6.984 +9418,[NH3+][C@H](COc1cncc(-c2ccc3cc(F)ccc3c2)c1)Cc1c[nH]c2ccccc12,-6.982 +8442,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(C4CC4)c3c2)c1)CC1=CNNc2ccccc21,-6.982 +9052,Cn1ncc(Br)c1-c1csc([C@H](NC(=O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)c1,-6.981 +8324,C=Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-6.981 +1742,Cc1cncc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]3C(N)=O)c1,-6.981 +9878,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1ccc(C(F)(F)F)cc1,-6.98 +9440,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cncc(Br)c1,-6.98 +8176,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)c1)Cc1c[nH]c2ccccc12,-6.98 +8225,Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H](CNc4ccc(Cl)cc4)Cc4ccccc4C(F)(F)F)CC3)c12,-6.979 +401,O=C(NCCc1noc(-c2ccncc2)n1)c1ccc2c(c1)OCO2,-6.979 +8223,CCn1ncc(C)c1-c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)c1,-6.978 +9028,Clc1ccc([C@@H]2CC[NH2+]CC[C@@H](c3ccc(Cl)c(Cl)c3)[NH2+]2)cc1,-6.977 +8408,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4cc[nH]c4)cnc3Cl)cc12,-6.977 +8917,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)c1)Cc1c[nH]c2ccccc12,-6.976 +9946,[NH3+][C@H](COc1cc(-c2ccc3ccccc3c2)cnc1Cl)Cc1c[nH]c2ccccc12,-6.976 +9933,CC(C)(O)C#Cc1nc(C[NH3+])cc2c1N=C(c1nonc1N)CNC2=O,-6.974 +9232,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Br)c(F)c4)c3)cc12,-6.972 +9333,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)oc1Br,-6.971 +9107,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2[nH]nc(C)c2n1,-6.971 +7199,COc1cc(OC)cc(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3Cc3cc(C)ccc3C)CC2)c1,-6.97 +9988,[NH3+][C@@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,-6.97 +8458,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4F)c3)cc12,-6.969 +8484,CC(C)Nc1ccc(C[C@H]([NH3+])COc2cncc(-c3ccc4c(c3)CC(=O)N4)c2)cc1,-6.968 +8531,C[NH2+]C[C@H](Cc1c[nH]c2ccccc12)Nc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1,-6.966 +8894,O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)sc5c4)c3)Cc3c[nH]c4ccccc34)cc2s1,-6.966 +820,Cc1cc(C)cc(C(=O)N2CCC[C@](F)(c3nc(-c4ccncc4)no3)C2)c1,-6.965 +9219,Cc1n[nH]c2ccc(C3=C(Cl)/C=C(CC[NH3+])\N=C/C(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)=C\3)cc12,-6.965 +8926,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cncc(Br)c4)c3)cc12,-6.963 +462,Cc1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2Cc2c(CO)cnc(C)c2O3)c(C)c1,-6.96 +9939,C[C@H](NC(=O)[C@H](C)c1cccc(-c2nnc(NC[C@@H]([NH3+])Cc3ccc(Cl)cc3)s2)c1)c1ccccc1,-6.96 +5577,Nc1c(C(=O)NCC[NH+]2CCCC2)sc2ncccc12,-6.959 +6651,COc1ccccc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1C[NH+](C)C,-6.959 +3671,CC(C)NC(=O)N1CCC2(CC1)C[C@H](C(=O)N1CCOCC1)[N@@H+](C)C2,-6.958 +9280,[NH3+][C@H](CCNc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,-6.957 +466,COCCN1C(=O)CC[C@@H](C(=O)NCCCN2CCCc3ccccc32)[C@H]1C,-6.957 +9754,FC(F)(F)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-6.957 +9984,Cc1[nH]nc2cnc(-c3cncc(N[C@@H]4C[NH2+]C[C@@H]4c4cccc(F)c4)c3)cc12,-6.957 +6402,O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1,-6.956 +503,O=C(CNc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])o1,-6.955 +8675,N#Cc1ncc(OC[C@@H]([NH3+])Cc2ccc(F)c(F)c2)cc1-c1ccc2cnccc2c1,-6.954 +2138,COc1ccc(C[NH+]2CCC(CNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4s3)CC2)cc1,-6.953 +9347,[NH3+]Cc1cc(Cl)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,-6.952 +9329,Cc1cnn(C)c1-c1cc([C@H](CO)[NH2+][C@H](C)Cc2cccc(F)c2)oc1Cl,-6.95 +9769,[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2nnnc3ccccc23)CC1,-6.949 +9846,Cc1ccc2ncnc(N3CCC(C(=O)N[C@@H](CC4CCCCC4)c4ccc(Cl)cc4)CC3)c2c1,-6.946 +9538,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(C(F)F)cc2)oc1Cl,-6.943 +4175,COc1ccc(Nc2ncnc(N3CCOCC3)c2C#N)cc1C,-6.942 +5670,OCc1cnc(SCSc2nc3ccccc3[nH]2)n1Cc1ccc(F)cc1,-6.94 +9833,C[C@H](Cc1ccc[nH]1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.939 +9962,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccc(Cl)c(Br)c1,-6.938 +9299,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccccc3O)cc12,-6.936 +9435,Cn1ncc(Br)c1-c1coc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)cc2)c1,-6.934 +8419,Nc1ccc2[nH]nc(N3CCCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c2c1,-6.934 +2649,CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccc(F)cc1F,-6.933 +9385,Cc1ccc(F)cc1C[C@H]([NH3+])COc1cncc(-c2cc3c(C)n[nH]c3cn2)c1,-6.933 +8541,[NH3+][C@H](CNc1cc(-c2cc3ccncc3s2)co1)Cc1ccc(C(F)(F)F)cc1,-6.931 +2123,O=[N+]([O-])c1ccc(N2CC[NH+](CCc3c[nH]c4ccccc34)CC2)cc1,-6.931 +4879,CC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)c1,-6.931 +9378,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c(Cl)[nH]c2ccccc12,-6.929 +9882,CCc1c(N)ncnc1N1CCN(C(=O)c2ccc(F)cc2C)CC1,-6.928 +8565,O=C(N[C@H](CC[NH+]1CCOCC1)c1ccc(Cl)c(F)c1)c1cc(Br)c(-c2ccncc2)s1,-6.928 +8286,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.925 +8855,Cc1occc1-c1ncc(-c2ccc3cnccc3c2)cc1OC[C@@H]([NH3+])Cc1cccc(OC(F)(F)F)c1,-6.925 +4530,O=c1oc2cc(OCc3cccc(C(F)(F)F)c3)ccc2c2ccccc12,-6.923 +9003,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](C2CC2)C(=O)N3)c1)Cc1ccc2c(c1)OCN2,-6.922 +8465,Cn1nccc1-c1coc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1,-6.922 +6008,Cc1ccc(Cn2c(NCCCO)nc3c2c(=O)n(C)c(=O)n3C)cc1,-6.919 +8497,Cn1cccc1[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Br)c(F)c4)c3)cc21,-6.918 +8151,NNc1c[n-]c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc-2c1,-6.917 +9937,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C\c2ccco2)C(=O)N3)c1)Cc1cccs1,-6.917 +7136,Oc1ccc(Br)cc1/C=N\N1CCN(c2ccccc2)CC1,-6.917 +5193,FC(F)(F)c1cccc(Cn2nnc(-c3cccc(Cl)c3)n2)c1,-6.917 +3172,CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1c(C)noc1C,-6.917 +9480,Cc1[nH]c2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3cnccc3c2)c1,-6.914 +9753,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4nccs4)c3c2)c1)Cc1c[nH]c2ccccc12,-6.912 +9880,[NH3+][C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1cccc(C(F)(F)F)c1,-6.908 +6389,C[N@@H+]1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1ccc3ncccc3c1)C2,-6.907 +3256,CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)cc2NC1=O,-6.907 +1964,CCn1ncc(C(=O)N2CC[C@](F)(c3noc(-c4ccncc4)n3)C2)c1C,-6.907 +9430,[NH3+][C@H](COc1cnc(-c2ccoc2)c(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1c[nH]c2ccccc12,-6.906 +9166,Cc1n[nH]c2ccc(-c3cncc(NC[C@@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)c3)cc12,-6.906 +8152,CCC[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-6.903 +7947,C[NH2+]CCCNc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1,-6.901 +9497,O=C(N[C@H](CCCN1CCOCC1)c1ccc(Cl)cc1)C1CCN(c2ncnc3ncncc23)CC1,-6.901 +22,O=C(NCC1CC1)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1,-6.901 +8124,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(F)cc(F)c4C(F)(F)F)c3)cc12,-6.899 +8423,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2ccccc2)cc1-c1cnc2[nH]nc(C)c2c1,-6.899 +7247,Nc1nnc(SCc2cc([O-])n3ncnc3n2)s1,-6.898 +4303,CCCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(Cl)c3)nc12,-6.897 +9669,CC(C)(C)[C@@H]1C(=O)Nc2cnc(N)cc21,-6.897 +4547,COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1COc1c(F)c(F)c(F)c(F)c1F,-6.894 +4427,COc1cc(OC)cc(C(=O)N2CCC[C@H](CCc3noc(-c4ccncc4)n3)C2)c1,-6.894 +9910,Cc1n[nH]c2ccc(-c3cncc(O[C@@H]([NH3+])c4ccc(Br)c(F)c4)c3)cc12,-6.892 +7841,Cc1cnc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]3CO)cn1,-6.892 +9770,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2NNCC[C@H]2c2cccc(C(F)(F)F)c2)oc1Cl,-6.892 +9119,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)oc1Cl,-6.891 +4992,CCn1c(C)c(C(C)=O)c(C(N)=O)c1C,-6.89 +8909,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)NC(=O)C3(F)F)c1)Cc1cccc(C(F)(F)F)c1,-6.889 +4864,O=C(CSc1nnc(-c2cccc(O)c2)o1)c1ccc(Cl)cc1,-6.887 +1637,C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2,-6.887 +1259,Cn1nccc1C(=O)N1CCC(OCCOCc2ccccc2)CC1,-6.883 +6141,COc1ccc(CN2C(=O)COC[C@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,-6.883 +9186,CC(C)(O)C#Cc1ncc(OCC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cn1,-6.881 +8200,CCc1sc(C(=O)N[C@H](C[NH3+])Cc2ccccc2C(F)(F)F)cc1-c1c(Cl)cnn1C,-6.881 +8573,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])CC2=C([C@@H](C)F)c3ccccc32)cc1-c1cnc2[nH]nc(C)c2n1,-6.879 +5799,O=C(Nc1cccc(SC2=C(Nc3ccc(F)cc3)C(=O)N(Cc3ccco3)C2=O)c1)c1cccs1,-6.878 +917,O=C(NCc1ccc(F)cc1)c1coc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccc(C(F)(F)F)c2)n1,-6.877 +2257,COc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1,-6.877 +4318,[H]/N=C1C(=C\c2cccn2-c2ccc3ccccc3c2)\C(=O)N=C2SC(CC)=NN2\1,-6.876 +9944,CC(C)(Cc1cccs1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.876 +1205,COc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1F,-6.874 +9037,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5ccccc5c4)c3)cc12,-6.872 +8929,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4OC(F)(F)F)c3)cc12,-6.871 +9058,O=C(N[C@H](C(=O)NCCO)c1ccc(Cl)c(Cl)c1)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-6.867 +9639,[NH3+][C@H](CNc1cc(/C=C/c2ccncc2)co1)Cc1c[nH]c2ccccc12,-6.867 +8903,CN(C)C(=O)C[C@H](NC(=O)[C@@H]1CCN(c2ncnc3ccccc23)CN1)c1ccc(Cl)cc1,-6.867 +8301,Cc1ccc([C@@H]2C(=O)Nc3ccc(-c4cncc(NC[C@@H]([NH3+])Cc5ccccc5)c4)cc32)o1,-6.866 +6514,CCc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1,-6.865 +8938,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)ccc1Br,-6.865 +9403,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4Cl)cnc3-c3ccsc3)cc12,-6.865 +9953,Cc1nc(-c2ccco2)c(-c2ccc3[nH]nc(C)c3n2)cc1OC[C@@H]([NH3+])Cc1c[nH]c2ccccc12,-6.865 +9078,Cc1cc(F)ccc1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-6.862 +8339,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])CCn4c[nH+]cc4C)c3)cc12,-6.862 +9271,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(=O)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.861 +6698,Cc1c[nH+]c(C2CN(C(=O)Nc3ccc4c(c3)OCO4)C2)n1Cc1ccccc1,-6.86 +8352,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc5c4OC(F)(F)C(F)(F)O5)c3)cc12,-6.857 +9407,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4cccnc4)cnc3-c3ccoc3)cc12,-6.857 +83,CSc1nn(CC(=O)Nc2ccc(C)c(C)c2)c(N)c1-c1nc(-c2cccc(C)c2)no1,-6.855 +6982,O=C(NCCC1=CCCCC1)c1nn(CC2CC2)c2c1C[NH2+]CC2,-6.853 +9155,[NH3+][C@H](COc1cncc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1)Cc1c[nH]c2ccccc12,-6.851 +6011,C[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2,-6.85 +9533,Cc1cc(CC(=O)[C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)oc1C,-6.85 +8921,Cc1occc1-c1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1cc2c(C)n[nH]c2cn1,-6.849 +9831,[NH3+][C@H](COc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1)Cc1ccccc1,-6.848 +2516,O=C(C1CCC1)N1CC[C@](F)(c2noc(-c3ccncc3)n2)C1,-6.847 +9877,Cc1[nH]nc2ccc(-c3ccc(C(=O)N[C@H](C[NH3+])Cc4cccc(F)c4)c(F)c3)cc12,-6.847 +9443,CCc1cncc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-6.844 +9395,CCc1c(C)[nH]c([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5cccc6ccccc56)c4)cc32)c1C,-6.843 +9256,Cc1[nH]c2ccccc2c1C[C@H]([NH3+])COc1ncc(-c2ccoc2C)nc1N,-6.843 +9067,Nc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4n[nH]c5ccccc45)c3)cc12,-6.843 +9983,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1n[nH]c2ccccc12,-6.842 +7233,Cn1c(=O)cc(OCCCC(=O)NCc2ccc(Cl)cc2)c2ccccc21,-6.841 +9919,[NH3+]C[C@H](NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1,-6.841 +9510,CC(C)=C1C(=O)Nc2ccc(-c3cncc(OC[C@H](Cc4c[nH]c5ccccc45)Nc4ccc5[nH]nc(N)c5c4)c3)cc21,-6.841 +8377,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(F)c4)c3)cc12,-6.84 +6046,Cc1ccncc1C(=O)N1C[C@@H](CO)[C@H]([NH+](C)C)C1,-6.839 +8808,Cc1occc1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1,-6.837 +8471,O=C(N[C@@H]1Cc2cc(Cl)ccc21)c1cc(-c2ccnc3[nH]ccc23)cs1,-6.837 +9491,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(CF)c4)c3)cc12,-6.836 +5553,[H]/N=C1\S/C(=C/c2cccc(OCC(=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1,-6.835 +8549,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C/c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.832 +3181,CC[C@H](Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1)C(=O)OCc1ccccc1,-6.832 +9412,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](C[C@@H](O)CO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-6.831 +8925,CC(C)(C)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.831 +62,Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccncc3)n[nH]2)n1,-6.829 +863,CC(=O)c1c(C)oc2c1C(=O)CC(C)(C)C2,-6.827 +2703,Cc1cc2c(cc1C)OC(C(=O)NCCO)=CC(=O)O2,-6.827 +584,CCOc1ccc(C[N@@H+](Cc2cc(=O)n3cccc(C)c3n2)CC(C)C)cc1,-6.827 +9850,[NH3+][C@H](NC(=O)Cc1ccccc1)c1cc2c(-c3cccs3)n[nH]c2cn1,-6.826 +8888,[NH3+][C@H](COC1=C/N=C(c2ccco2)\C(c2ccccc2)=C/N=C\1)Cc1c[nH]c2ccccc12,-6.825 +9354,[NH3+][C@H](COc1cnc(-c2ccoc2)c(-c2cc3c(Cl)n[nH]c3cn2)c1)Cc1c[nH]c2ccccc12,-6.824 +9744,CNC(=O)Nc1ccc(CCNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)C(F)(F)O4)cnn2C)cn1,-6.822 +2738,COc1ccc(C[NH+]2CCN(Cc3ccc(O)c(F)c3)CC2)cc1OC,-6.822 +126,Oc1ccc(Br)cc1CO/N=C/c1c[nH]c2ccccc12,-6.822 +9738,Cc1occc1-c1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccnc2[nH]ccc12,-6.822 +8852,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(F)c4F)c3)cc12,-6.821 +2768,Cc1ccc(C(=O)COc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1,-6.819 +8183,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3cc(F)ccc3O)cc12,-6.817 +341,CCc1cc2c3c(c(=O)oc2cc1OC(C)=O)CCCC3,-6.817 +9246,Cn1cccc1CC(C)(C)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.817 +9675,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])COc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,-6.815 +8274,CCc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)s3)cc12,-6.815 +5581,O=C(Cc1cccc(C(F)(F)F)c1)Nc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)oc2ccccc12,-6.814 +3418,Cn1c(=O)n(C)c2cc(C(=O)CSc3nnc(-c4ccncc4)n3-c3ccccc3)ccc21,-6.814 +9001,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(C(F)(F)F)cc2)oc1Cl,-6.814 +8536,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCOCC3)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-6.813 +4920,CC(=O)N1CCC2(CC1)[NH2+]CCc1c2[nH]c2ccccc12,-6.813 +8714,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@@H](CCn3cncn3)[NH2+]C2)oc1Cl,-6.812 +9790,Cc1c[nH]c2ncnc(N3CCC([NH3+])(C(C)(C)Cc4ccco4)CC3)c12,-6.81 +8924,[NH3+][C@@H](COc1cncc(-c2ccc3cncnc3c2)c1)Cc1c[nH]c2ccccc12,-6.81 +5455,COc1ccccc1[C@H]1NC(=O)CC[C@@H]1[N+](=O)[O-],-6.809 +24,CC(=O)N1CCc2c(sc3nc(SCC(=O)NC(C)C)n(Cc4ccccc4)c(=O)c23)C1,-6.808 +3900,COCCC[n+]1c(N)c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21,-6.808 +8795,Cc1ccc(C[C@H]([NH3+])COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)cc1,-6.808 +8331,[NH3+]C[C@H](Cc1ccc(F)c(F)c1)NC(=O)c1ccc(Cl)o1,-6.807 +235,Cc1c(C)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)c(C)c2oc1=O,-6.805 +9771,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OCO5)c3)cc12,-6.803 +9661,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)NC(=O)C3=O)c1)Cc1c[nH]c2ccccc12,-6.802 +9344,Cc1cc(F)cc(F)c1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-6.802 +8898,[NH3+][C@H](COc1cncc(-c2ccc3nn[nH]c3c2)c1)Cc1ccc(Br)c(F)c1,-6.801 +7646,COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CCc2ccc(Cl)cc2)cc1,-6.798 +8904,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-6.797 +5919,CCOC(=O)CN1C(=O)/C(=N/NC(=O)c2cccnc2)c2ccccc21,-6.796 +9321,Cc1cc(C)c(C[C@H]([NH3+])COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)c(C)c1,-6.795 +9276,CC[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1sc(-c2ccncc2)cc1Br,-6.794 +5582,O=C(Cn1nc(CNc2ccc(F)cc2)[nH]c1=O)NCc1ccc(F)cc1,-6.792 +9123,Cc1n[nH]c2ccc(-c3cc(C(=O)c4ccc(Cl)c(F)c4)oc3C(=O)N[C@@H](C[NH3+])Cc3ccccc3)cc12,-6.792 +8354,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OC(F)(F)F)c4)c3)cc12,-6.792 +7375,Cc1ccc(NC(=O)Cn2ncc(S(=O)(=O)c3ccccc3)c2N)cc1C,-6.791 +8845,CCB1C=C(C(=O)N[C@H](C[NH3+])Cc2ccc(F)cc2)C=C1c1c(Br)cnn1C,-6.79 +9752,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@H](c3cccc(F)c3)CC[C@@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-6.789 +9906,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4csc5ccccc45)c3)cc12,-6.788 +9899,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(F)(F)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.787 +8466,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4Cl)c3)cc12,-6.784 +6889,COc1cccc(NC(=O)CN(C[C@H]2CC(c3ccccc3F)=NO2)C(=O)c2cccc(F)c2)c1,-6.783 +7569,O=C(NCCC[NH+]1CCOCC1)c1coc(C[NH+]2CCC(Cc3ccccc3)CC2)n1,-6.781 +6507,CC[C@H](C)c1nc(N2CCN(C(=O)C3CC3)CC2)c(Cc2ccccc2Cl)c(C)[nH+]1,-6.78 +2905,O=c1[n-]nc(Nc2ccc(N3CCOCC3)c(Cl)c2)n2nc(-c3cccnc3)cc12,-6.779 +9214,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2cc(Cl)c(Br)cc2F)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.776 +5513,O=C1c2c(CO)nn(-c3ccccc3)c2CN1Cc1ccc(F)cc1,-6.773 +2685,Cc1noc([C@H]2CC3(CCN(C(=O)c4ccnn4C)CC3)C[N@@H+]2C)n1,-6.77 +477,Cc1ccc(NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)c(C)c1,-6.77 +8867,Cc1cc(C)c(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)c(C)c1,-6.768 +1862,O=C(CCn1ccnc1)N1CCC[C@@]12Cc1cc(Br)ccc1OC2=O,-6.768 +7377,O=c1[nH]c(SCc2c(F)cccc2Cl)nc2c1cnn2-c1ccc(F)cc1,-6.765 +8866,CC[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(Br)c4)c3)cc21,-6.765 +113,CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c2=O)cc1,-6.765 +3041,CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(CC(=O)Nc4cc(C)ccc4OC)CC3)cc21,-6.762 +7896,Cc1ccc2c(C[NH2+]Cc3ccc(F)cc3)c(C(=O)[O-])[nH]c2c1,-6.762 +1834,CC[NH+]1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1,-6.762 +9650,Cc1n[nH]c2nnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,-6.755 +8500,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)cc4)c3)cc12,-6.755 +8690,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(C#N)[nH]c3ccccc23)cc1-c1ccc2[nH]nc(C)c2n1,-6.754 +3662,COc1cc(COc2ccc3c(C)cc(=O)oc3c2C)cc(OC)c1OC,-6.753 +8426,C[NH+]1CC([C@@H](NC(=O)c2ccc3cnccc3c2)c2ccc(Cl)cc2)C1,-6.751 +8133,Cc1ccc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)c(C)c1,-6.751 +8119,CN(C)C(=O)Oc1cccc(NC(=O)c2ccnc3[nH]ccc23)c1,-6.75 +9279,O=C(N[C@@H](CC[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1)c1ccc(-c2c[nH+]cc3[nH]ccc23)c(Br)c1,-6.749 +1666,O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cc2F)CC1)Nc1ccccc1F,-6.749 +8746,Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccnc4)c3)cc12,-6.747 +9758,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(Cl)c2)oc1Cl,-6.747 +9326,CC1=NNNc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc21,-6.746 +1559,O=C(Nc1cccc(C(F)(F)F)c1)C1c2ccccc2Oc2ccccc21,-6.744 +9579,CCc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-6.742 +2373,Cc1ncoc1C(=O)N1CCC2(CC1)CC[C@@]2(C)O,-6.741 +5355,Cn1ccnc1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C[NH+](C)C)C1,-6.741 +9942,Cc1ccc(C[C@H]([NH3+])COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)cc1F,-6.739 +9670,CCC[C@H]1c2c(ncnc2N2CCN(C(=O)[C@H](C[NH2+]C3CC3)c3ccc(Cl)c(F)c3)CC2)[C@H](O)C[C@H]1C,-6.738 +8586,Cc1[nH]c2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3cnc(F)cc3c2)c1,-6.738 +5773,O=C(NCCc1cccnc1)c1cc2n(n1)C[C@@H](Oc1cc[nH+]cc1)C2,-6.738 +9568,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)F)cc4)c3)cc12,-6.738 +795,Cc1cc(Oc2ccc(F)cc2)nc(SCc2cccc(C(F)(F)F)c2)n1,-6.738 +9530,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cccc(C(F)(F)F)c1,-6.738 +8443,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1Cl,-6.737 +9529,Cc1cc(C)c(N2CCN(C(=O)[C@H]([NH3+])Cc3ccc(Cl)cc3)CC2)cc1C,-6.736 +8680,COc1cc2c(cc1Nc1nc(Nc3cccc4c3C(=O)O4)c3cc[nH]c3n1)N(C(=O)C[NH+](C)C)CC2,-6.736 +5578,COc1cccc(/C=N/NC(=O)Cn2ncc(-c3ccccc3Cl)n2)c1O,-6.736 +6422,Cc1cccc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccccc3)C2)c1,-6.735 +5204,CCOC(=O)[C@H](CC)Sc1ncnc2sc(C)c(C)c12,-6.735 +8398,COc1ccc(-c2ccc3c(c2)CC(=O)N3)cc1C[C@H]([NH3+])COc1ncnc2[nH]ccc12,-6.734 +9283,[NH3+][C@H](COc1cnc(-c2ccoc2)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,-6.733 +9126,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,-6.731 +8863,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(Cl)c4)c3)cc12,-6.73 +8439,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cn1,-6.73 +8922,[NH3+][C@H](COC1=C(c2cc(Cl)ccc2O)/C=C\C(c2cnc3c(c2)CC(=O)N3)=C/N=C\1)Cc1ccc[nH]1,-6.73 +8515,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)cc4Cl)c3)cc12,-6.73 +3029,Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1,-6.729 +8683,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.729 +2897,CCc1nn2c(=O)cc(CSc3ccccc3NC(=O)COc3ccccc3C)nc2s1,-6.729 +4650,CCC[N@H+](CCC(=O)NCc1cccc(C(F)(F)F)c1)Cc1cc(OC)ccc1C,-6.726 +9615,Cc1cnn(C)c1-c1cc(C(=O)N[C@H](C[NH3+])c2ccccc2)sc1Cl,-6.726 +9806,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC(=O)NC3CC3)C[C@H]2c2ccc(Cl)cc2)oc1Cl,-6.726 +495,CCc1oc2ccc(Cl)cc2c1CC[NH3+],-6.725 +4728,Cc1ccc(O)c(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)c1,-6.724 +9923,Cc1cc(C)c(C[C@H]([NH3+])COc2ccc(-c3ccc4[nH]nc(C)c4c3)nc2)c(C)c1,-6.723 +2982,COc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)n2c1nc1ccccc12,-6.722 +8616,Cc1ncc(NC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1/C=C/c1ccncc1,-6.721 +7708,CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(-c4ccc(OC)c(OC)c4)n3-c3ccccc3)ccc21,-6.721 +8711,CNC(=O)Nc1cc(N2CCN(C(=O)[C@H](C[NH3+])c3ccc(Cl)cc3)CC2)ncn1,-6.721 +109,CC(=O)Nc1nc2ccc(CCC(=O)NCc3ccc(C(C)C)cc3)cc2s1,-6.72 +9556,[NH3+][C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,-6.717 +6245,CC[NH+](CC)CCNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1,-6.717 +8734,COc1ccc(C[C@H]([NH3+])COc2cc(-c3ccc4[nH]nc(C)c4c3)c(-c3ccoc3)nc2C)c(C)c1,-6.717 +4495,COc1ccc(OC)c(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)c1,-6.716 +2440,CS(=O)(=O)NCC[N@@H+](Cc1cccc(F)c1)[C@H]1CCCN(S(C)(=O)=O)C1,-6.713 +5826,O=c1cc(N2CCCN(c3cccc(C(F)(F)F)c3)CC2)[nH+]c2sccn12,-6.713 +1298,COc1cccc2cc(-c3nc(C)nc(-c4ccccc4F)n3)c(=O)oc12,-6.713 +4625,Cc1ccc(C(=O)[NH+]=C(NCc2ccccn2)Nc2ccc(Cl)c(Cl)c2)cc1,-6.71 +9640,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,-6.71 +6725,Cc1cc(C)c(S(=O)(=O)CC(=O)NCCCNc2ccc(F)cc2)c(C)c1,-6.709 +8486,O=c1[nH]c2ccc(-c3cncc(OC[C@H](Cc4c[nH]c5ccccc45)Nc4ccc5[nH]c(=O)sc5c4)c3)cc2o1,-6.707 +8384,COc1ccc(F)cc1C[C@H]([NH3+])COc1cncc(-c2cc3c(C)n[nH]c3cn2)c1,-6.707 +8270,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4Br)c3)cc12,-6.707 +3130,OC[C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1CC[N@H+](C1CCOCC1)C2,-6.705 +4018,CC(C)COc1ccc(C(=O)NC2=[NH+][C@@H](c3ccc4c(c3)OCO4)CC2)cc1,-6.704 +3395,O=C(NCc1ccc2c(c1)OCO2)c1cnc2ccccn2c1=O,-6.703 +9383,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1ccccc1Cl,-6.703 +8186,[NH3+][C@H](COc1cncc(-c2ccc3nonc3c2)c1)Cc1c[nH]c2ccccc12,-6.702 +9954,C[C@@H](C[NH3+])NC(=O)c1cc(-c2c(Cl)cnn2C)c(Cl)o1,-6.702 +8177,[NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)Cc1cnc[nH]c2ccc1=2,-6.7 +7937,Cc1ccc(/C=[NH+]/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1,-6.7 +8802,BCc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1cc2c(C)[nH]nc2cn1,-6.699 +9683,[NH3+][C@H](COc1cncc(-c2ccc3nc(F)ccc3c2)c1)Cc1cccc(F)c1,-6.699 +9563,O=C1Cc2cc(-c3cncc(OC[C@H](Cc4c[nH]c5ccccc45)Nc4ccc5c(c4)C(F)(F)C(=O)N5)c3)ccc2N1,-6.698 +1847,Cc1noc(C)c1C(=O)N1C[C@@H](c2cccnc2)[C@H](c2nc(-c3ccncc3)no2)C1,-6.697 +6220,COC1=C(/C=N\NC(N)=O)C2=CN(CC(=O)Nc3ccc(F)cc3)C2=C1,-6.697 +2998,N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCOCC1,-6.697 +6009,O=C(N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-])c1cccnc1,-6.694 +8307,CC(=O)Nc1nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc2s1,-6.693 +7582,O=C(CN(c1cccnc1)[C@H](C(=O)NCc1ccco1)c1cccc(Br)c1)Nc1ccccc1,-6.693 +5267,NC(=O)c1ccccc1NC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O,-6.692 +9221,Cc1ccc(C[C@H]([NH3+])COc2cncc(-c3cc4c(cn3)NC(=O)[C@H]4C(C)(C)Cc3ccccc3)c2)cc1F,-6.691 +8771,CC(C)n1cc(C(=O)c2cncc(NC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)n2)c2c(N)ncnc21,-6.691 +9936,C[C@@](C[NH3+])(Cc1ccccn1)[C@@H]1C(=O)Nc2ccc(-c3ccccc3)cc21,-6.688 +5748,Cn1c(=O)c(=O)n(CC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc21,-6.684 +9439,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4C(F)(F)F)c3)cc12,-6.683 +9268,[NH3+][C@H](COc1cncc(-c2cc3c(Cl)n[nH]c3cn2)c1)Cc1cccc(Br)c1,-6.681 +8692,Cc1ccc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)cc1,-6.681 +783,O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCN(c2ccccc2F)CC1,-6.68 +87,O=C(CC[C@@H]1C=CC(=O)N2C(=O)C=CC=C=C12)NCCn1ccc2ccc(Cl)cc21,-6.68 +8444,O=C(Nc1cccc(Cl)c1)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)[C@@](CO)(C(F)(F)F)C(=O)N2,-6.68 +9357,[NH3+][C@H](COc1cncc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)c1)Cc1c[nH]c2ccccc12,-6.679 +1272,Cn1nnnc1SC(=[NH+]C(=O)c1ccccc1)[C@@H](C#N)c1ccccc1,-6.678 +8405,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4c(F)cc(F)cc4F)c3)cc12,-6.677 +6172,O=C(c1cc(F)ccc1F)N1C[C@@H](CO)[C@H](c2ccccn2)C1,-6.677 +8920,C[NH+](C)CCC[C@H](NC(=O)[C@@]1(N)CCN(c2cc[nH+]c3ccccc23)C1)c1ccc(Cl)cc1,-6.674 +3972,COc1ccc(NC(=O)Cc2nnc(-c3ccncc3)o2)c(OC)c1,-6.673 +496,O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1,-6.671 +9591,[NH3+][C@H](CNC(=O)c1cc(Br)c(-c2c[nH]c3ncccc23)s1)c1ccccc1,-6.67 +9120,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)c3)cc12,-6.668 +7311,NC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3cc(Cl)ccc23)cc1,-6.668 +1353,CCOC(=O)c1nc(NCC[NH+]2CCN(c3ccccc3OC)CC2)c2ccccc2n1,-6.667 +4098,O=C(CN1N=C(c2ccccc2)CN(Cc2ccccc2)C1=O)NCCC1=CCCCC1,-6.665 +9302,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)OC[C@@H](O)N3)c1)Cc1c[nH]c2ccccc12,-6.665 +6848,O=C1C[C@@H](c2noc(-c3ccc(F)cc3)n2)CN1c1ccc(F)c(Cl)c1,-6.664 +2173,CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccc(C)c2)c1,-6.663 +8633,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(I)c4)c3)cc12,-6.662 +705,O=c1c(SCc2cccc(C(F)(F)F)c2)nccn1-c1ccc(F)cc1,-6.66 +2315,Cc1ccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3ccsc3n2)cc1C,-6.659 +6309,Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1,-6.657 +2646,COc1ccc(Nc2nc(N)nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c(OC)c1,-6.656 +5496,C[NH+]1CCC2(CC1)O[C@@H](c1ccc(O)cc1)[C@@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1,-6.656 +8774,Cc1ccc2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3cnccc3c2)c1,-6.655 +4123,COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3ccccc3F)CC2)cc1,-6.654 +2972,COc1ccc(N2C[C@@H](NC(=O)c3ccc4c(c3)OCO4)CC2=O)cc1OC,-6.653 +3375,Cc1cccc(NC(=O)c2sc3nc[nH]c(=O)c3c2C)c1,-6.653 +4817,O=C(c1ccccc1Cl)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1,-6.652 +684,COCCC1(C(N)=O)CC[NH+](C2CCN(C(=O)c3cnccn3)CC2)CC1,-6.652 +146,COC(=O)CCCC(=O)N1CC[NH+](C[C@H](OCc2ccc(C#N)cc2)c2cccc(OC)c2)CC1,-6.651 +8829,[NH3+][C@@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.651 +3710,O=C(Nc1ccc(Br)c2ccccc12)c1[nH]nc2c1CCCCC2,-6.65 +5168,O=C(CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1,-6.65 +3027,CC(C)c1ccc(C2=NC(c3ccc(F)c(F)c3)=Nc3cc(F)ccc3O2)cc1,-6.649 +4070,CNC(=O)c1cnoc1-c1ccccc1Cl,-6.647 +6738,CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1,-6.644 +5102,O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,-6.643 +732,O=C(c1ccc2ccccc2n1)N1C[C@H](CO)C2(CC[NH2+]CC2)C1,-6.643 +9523,Cc1n[nH]c2ccc(-c3cncc(OC[C@@](N)(O)F)c3)cc12,-6.642 +6322,O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)N1CCc2ccccc21,-6.641 +1851,Cc1nc2cc(Br)ccc2o/c1=[NH+]/c1ccc(-c2ccccc2)cc1,-6.641 +9622,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)c(F)cc1Br,-6.641 +4914,COc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1OC,-6.639 +7034,O=C(NCc1ccccc1)c1cc(-c2cccnc2)n[nH]1,-6.639 +8393,COc1ccc(F)cc1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-6.637 +9855,Cc1n[nH]c2ccc(-c3cncc(OC[C@H](Cc4c[nH]c5ccccc45)Nc4ccc5c(c4)CC(=O)N5)c3)cc12,-6.636 +7949,O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1,-6.635 +9585,COc1ccc(Br)cc1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-6.634 +2513,CCN(CC)c1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1,-6.633 +9148,Cn1ncc(Cl)c1-c1cc(NC(=O)NC(=O)c2ccc(F)cc2)sc1Cl,-6.632 +8268,C[C@@](O)(F)c1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,-6.63 +6436,COc1cccc(C(=O)Nc2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)c1,-6.63 +2664,COC(=O)CSc1nc(C)cc2c1C(=O)OCC2,-6.63 +3992,COc1ccc(Cl)cc1NC(=O)Nc1cccc(-c2nccnc2N2CCCC2)c1,-6.628 +5783,Cc1cc(CO)n(-c2ccc(N3CCOCC3)cc2)n1,-6.627 +9402,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)NC(=O)C3)c1)Cc1c[nH]c2ccccc12,-6.626 +9554,Cc1occc1-c1nc(N)c(OC[C@@H](O)Cc2c[nH]c[nH+]2)cc1-c1ccc2[nH]nc(C)c2c1,-6.626 +9103,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(F)c4)c3)cc12,-6.624 +5937,Cc1cc(=O)oc2c(C[NH2+][C@@H](C(=O)[O-])c3ccccc3)c(O)ccc12,-6.62 +8314,COc1ccc(C[C@H]([NH3+])COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)cc1,-6.62 +8475,C[C@@H]1C(=O)Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)[C@@H](C(C)(C)C)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc21,-6.619 +6175,CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c(F)c1,-6.619 +8060,O=C(NCc1ccc(F)cc1)c1cn2c([nH+]1)CCCC2,-6.619 +8735,[NH3+]C[C@H](NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,-6.619 +3789,COc1ccc(OC)c(NC(=O)c2nc3cccnc3n(Cc3ccccc3)c2=O)c1,-6.618 +4959,O=C(CNS(=O)(=O)c1cccc2cnnnc12)N1CC[NH+](C/C=C/c2ccccc2)CC1,-6.618 +101,Cc1cc(C)cc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc23)c1,-6.618 +8960,Cc1cc([C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)nc32)[nH]c1C,-6.618 +7458,CC(C)C(=O)N1CCC[C@](CC2CC2)(c2noc(-c3ccncc3)n2)C1,-6.617 +7765,CCCc1ccc(F)c(N2CCN(C(=O)[C@H]3CCC(=O)N3Cc3ccc(F)cc3)CC2)c1,-6.616 +8303,C[C@@H]1SCCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21,-6.616 +9869,Cn1ncc(Br)c1-c1cc(C(=O)[C@H](N)Cc2ccc(Cl)cc2)sc1Cl,-6.615 +8890,Cc1[nH]c2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2cc3cn[nH]c3cn2)c1,-6.615 +6797,CCn1nccc1C(=O)N1CCOc2ccc(NC(=O)COC)cc2C1,-6.615 +6149,Cc1cccc(N2CCN(C(=O)c3cccn4c(=O)c5cc(Br)ccc5nc34)CC2)c1,-6.614 +1411,CCOC(=O)Cc1csc(NC(=O)COc2ccc3ccccc3c2)n1,-6.613 +6807,CCCC[N@@H+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COC,-6.613 +3146,CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C\c2cccc(C)c2)C1=O,-6.613 +9799,Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(CC(F)(F)F)cc4)c3)cc12,-6.613 +8467,CNC(=O)Nc1ccc(-c2ccc3cnccc3c2)c(OC)c1,-6.611 +8361,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1cc2c(C)n[nH]c2cn1,-6.611 +9165,CCc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c(C)[nH]c5ccccc45)c3)cc12,-6.609 +819,COc1ccccc1-n1ncc2c(=O)[nH]c(SCc3cc(C)ccc3C)nc21,-6.605 +8267,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c(F)cc(F)cc4Br)c3)cc12,-6.604 +1358,Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(-c4noc(-c5ccncc5)n4)cc3)C2)o1,-6.604 +6378,Cc1cccc(C[NH+]2CC[NH+](Cc3cc(=O)oc4cc(C)c(O)cc34)CC2)c1,-6.601 +8375,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,-6.601 +3932,Cc1ccc(CN2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1,-6.598 +2218,O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1Cl,-6.597 +2201,O=C1CCN(C(=O)Cc2ccccc2Cl)C[C@@H]1CO,-6.594 +4976,Cc1nc2scc(C)n2c(=O)c1CCNS(=O)(=O)c1ccc(Cl)cc1,-6.593 +8505,Cc1n[nH]c2ncc(-c3c(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc4[nH]nc(C)c34)nc12,-6.593 +9829,Cn1ncc(Cl)c1-c1coc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1,-6.593 +9616,Cc1n[nH]c2ccc(-c3cncc(OC[C@H](Cc4c[nH]c5ccccc45)Nc4cccc(F)c4)c3)cc12,-6.592 +4293,Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl,-6.591 +8580,Cn1cccc1CC(C)(C)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cn(C)c5ccccc45)c3)cc21,-6.591 +852,COc1ccccc1S(=O)(=O)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4cc(C)ccc4C)cn23)CC1,-6.59 +60,O=C(Cc1csc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2Cl)n1)NCc1ccccc1,-6.589 +5213,COc1cc(Nc2nc3ccccc3n3c(C)nnc23)cc(OC)c1,-6.589 +5973,CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(Br)c3)N2C1=O,-6.589 +7208,COc1ccc(C/C(N)=N\OC(=O)c2cccc(OC)c2)cc1,-6.587 +9242,[NH3+][C@H](COc1cncc(-c2cnc3c(c2)NC(=O)C3(F)F)c1)Cc1c[nH]c2ccccc12,-6.587 +9399,[NH3+]C[C@H](NC(=O)c1cc(-c2c[nH]c3c[nH+]ccc23)cs1)c1ccccc1,-6.587 +100,O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)CC1,-6.586 +9827,[NH3+][C@H](COc1cncc(-c2cc3cnccc3cn2)c1)Cc1c[nH]c2ccccc12,-6.585 +3122,Nc1c(C(=O)Nc2ccc(F)cc2F)sc2nc(-c3ccncc3)ccc12,-6.584 +8369,C[C@H](c1ccccc1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.583 +9508,Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(Cl)cc(Cl)c4)c3)cc12,-6.581 +1610,CCc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccccc4)no3)c2N)cc1,-6.578 +8905,Clc1ccc(CN[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)cc2Cl)cc1,-6.577 +8248,[NH3+][C@H](COc1cncc(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1)Cc1c[nH]c2ccccc12,-6.577 +9605,O=C(O[C@@H]1CC[C@H](CC[NH+]2CCCC2)[NH2+]C1)c1ccc(C(=O)c2c(O)cccc2Cl)cc1,-6.576 +5463,Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCCc1ccc(C(F)(F)F)cc1,-6.576 +8178,[NH3+][C@@H](COc1cncc(-c2ccc3cnc(C#Cc4ccccc4)cc3c2)c1)Cc1c[nH]c2ccccc12,-6.575 +7515,C[NH+]1CCC(NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)CC1,-6.575 +2102,CCc1ccc(NC(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccccc5Cl)n4)c(=O)n23)cc1,-6.574 +8971,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(OC(F)(F)F)cc4)c3)cc12,-6.574 +8193,C[NH+]1CCC(N[C@H](C(=O)N2CCN(c3ncnc4c3[C@H](CF)CC4)CC2)c2cc(Cl)on2)CC1,-6.573 +5492,Cc1ccc2occ(CC(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)c2c1,-6.572 +828,CC(C)CNC(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1,-6.571 +1646,Cn1cccc1C(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1,-6.57 +9676,[NH3+][C@H](COc1cc(OCc2c[nH]c3ccccc23)cc(-c2ccc3c(c2)[C@@H](c2ccccc2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.569 +672,COc1ccccc1CCN1CC(=O)C(c2nc3ccccc3n2C)=C1N,-6.568 +5382,C[NH+](C)C[C@@H]1CN(c2ccccn2)C[C@H]1NC(=O)c1ccc2ncccc2c1,-6.567 +8187,CC(=O)Nc1nc2ccc(-c3cncc(C(=O)Cc4c[nH]c5ccccc45)c3)cc2s1,-6.567 +6856,O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc2c(c1)OCO2,-6.566 +9501,O=C([C@H](CO)c1ccc(Cl)cc1)N1CCN(c2ncnc3ncncc23)CC1,-6.565 +3266,COC(=O)c1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1,-6.562 +7662,CN1C(=O)/C(=C\c2cn(CC(=O)NCC[NH+]3CCOCC3)c3ccc(Br)cc23)c2ccccc21,-6.561 +4750,COc1ccc2c(c1)-c1sc(C(=O)NCCC3=CCCCC3)cc1CC2,-6.56 +6219,COc1cccc(CC(=O)N2CCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)c1,-6.56 +2606,CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(C(=O)NC(C)C)cc32)cc1,-6.558 +9695,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1,-6.558 +5317,COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4C)n2)Cc2c(CO)cnc(C)c2O3)cc1,-6.557 +6841,CC(=O)N1CCC(c2noc(CNC(=O)C3CC3)n2)CC1,-6.556 +2538,O=C(NCC1CC1)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(Cl)c2)c1=O,-6.556 +4564,O=C(NCCc1ccccc1)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n(Cc3ccccc3F)c2c1,-6.555 +4038,COc1cc(NC(NCc2ccncc2)=[NH+]C(=O)c2cccc(C)c2)cc(OC)c1OC,-6.555 +6756,Cc1ccc(Cn2nccc2NC(=O)c2c(-c3ccccc3)noc2C)cc1,-6.554 +1966,C[C@@H]([NH2+]Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)[O-],-6.554 +6383,O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCCCN1CCOCC1,-6.554 +4133,O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1)Cc1ccccc1OS(=O)(=O)c1cccc(C(F)(F)F)c1,-6.553 +9215,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccoc3)cc12,-6.553 +1514,CC(=O)Nc1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)s1,-6.552 +742,Cc1ccc2c(c1)N(C(=O)Nc1cccc(Cl)c1)CCO2,-6.552 +7320,CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1c(F)cccc1F,-6.551 +6304,COc1ccccc1-c1csc2nc(C[N@@H+](C)C[C@@H](O)COC(C)(C)C)cnc12,-6.551 +406,O=C(CSCc1cccnc1)Nc1cc(Cl)cc(Cl)c1,-6.551 +346,COCCCNC(=O)N[C@H]1CCN(c2ccc(F)c(C)c2)C1=O,-6.551 +8399,Cc1ccccc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(C#N)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-6.55 +5100,CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCC[NH+]1CCCC1,-6.549 +9039,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccc(F)cc3F)cc12,-6.548 +8126,CCn1c(-c2ccc3[nH]nc(C)c3n2)cnc1Cl,-6.548 +1231,Cc1cc(C)cc(NC(=O)CSc2[nH+]ccn2Cc2ccc3c(c2)OCO3)c1,-6.548 +2642,C/C(CCC(=O)[O-])=N\NC(=O)CNC(=O)c1cccc(F)c1,-6.547 +4830,Cc1ccc(-c2ccc(/C=[NH+]/c3c(C)n(C)n(-c4ccc(C)c(C)c4)c3=O)o2)c(C)c1,-6.547 +6964,Cc1c[nH+]c(C2CN(C(=O)c3cnccn3)C2)n1Cc1cccnc1,-6.546 +6989,CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)co2)CC1,-6.545 +9825,c1ccc2c(C[C@@H](COc3cncc(-c4ccc5cnccc5c4)c3)Nc3cc4cc[nH+]cc4s3)c[nH]c2c1,-6.545 +3946,Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-],-6.545 +2776,Cc1cc(C(=O)n2cnc3ccccc32)ccc1[N+](=O)[O-],-6.544 +1108,CCc1cccc(C)c1NC(=O)Cn1nc2c3cc(-c4ccc(C)c(C)c4)nn3ccn2c1=O,-6.544 +4535,CC(=O)c1ccc(NC(=O)Cn2nc3c(N(C)C)nc4ccccc4n3c2=O)cc1,-6.543 +349,C[C@@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1C(=O)c2ccccc2C1=O,-6.543 +6198,Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3c(C)cccc3C)CC2)cc1,-6.543 +13,CN1C(=O)Cc2cc(S(=O)(=O)N3CCCC3)ccc21,-6.543 +7008,O=C(Cc1ccccc1)NCC(=O)N/N=C\c1ccccc1OCc1ccccc1,-6.543 +7918,Cc1nc(N)sc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C,-6.542 +2710,COc1ccccc1NC(=O)Nc1c(-c2ccc(C)cc2)[nH+]c2ccccn12,-6.542 +465,COc1ccc(N2N=C(C(=O)N/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)Nc3ccccc3C2=O)cc1,-6.541 +6010,NS(=O)(=O)c1ccc(NC(=O)/C(=C\c2ccc(F)cc2)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,-6.541 +2418,CCn1cc(Nc2ccc3c(c2)c2ccccc2n3CC)c2ccccc21,-6.538 +9241,CC(C)(Cc1ccc[nH]1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.538 +2601,O=[N+]([O-])c1cc(-c2noc(-c3ccncc3)n2)ccc1NC[C@H]1CCCO1,-6.538 +8132,CC(C)(Cc1cccnc1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.538 +9588,[NH3+][C@H](COc1cncc(-c2cnc3c(c2)NC(=O)C3)c1)Cc1c[nH]c2ccccc12,-6.537 +5316,Cc1cc(S(=O)(=O)n2nc(-c3ccc(F)cc3)cc2N)ccc1F,-6.536 +8620,Cc1[nH]c2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3c(c2)[C@@H](c2cccnc2)C(=O)N3)c1,-6.536 +5835,COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3)o2)c1,-6.536 +199,COC(=O)CSC1=[NH+]C(=O)C[C@H](c2ccccc2)[C@@H]1C#N,-6.535 +1261,CC(=O)c1ccc(N/N=C2/C(=O)N(C)c3ccccc32)cc1,-6.534 +9629,O=C(N[C@@H]1Cc2cc(Cl)ccc2CC[NH2+]1)C1CC[NH2+]CC1,-6.533 +8430,C=Cc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2cc1C,-6.533 +7303,C[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3cccs3)CC2)n1,-6.533 +8482,CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnn2C)cn1,-6.532 +8964,[NH3+][C@H](CNc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,-6.531 +9314,[NH3+][C@H](COc1cnc(-c2ccco2)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,-6.531 +8518,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccoc3)cc12,-6.531 +8981,Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2ccccc2)cc1-c1cnc2[nH]nc(C)c2n1,-6.531 +7606,COc1ccc(OC)c(CNC(=O)c2coc(CN3CC[NH+](C[C@H](O)C(C)C)CC3)n2)c1,-6.53 +8243,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](Cc2ccco2)C(=O)N3)c1)Cc1ccccc1,-6.53 +8489,Cn1ncc(Cl)c1-c1cc(C(=O)NCC[C@@H]2C[NH2+]CC[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)oc1Cl,-6.529 +1017,NC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O,-6.527 +2852,CC(=O)N1CCc2c(sc3nc(SCC(=O)N4CCCCCC4)n(Cc4ccccc4)c(=O)c23)C1,-6.527 +8365,CC(=O)Nc1ncc2cc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(Cl)cc4)C3)ccc2n1,-6.527 +6789,O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1ccccc1O,-6.527 +9865,Cn1nccc1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)cc2)cc1,-6.526 +9486,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccoc3)cc12,-6.522 +7926,Cc1ccc(N2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2=O)cc1F,-6.52 +2925,Cc1ccc(-c2nc3nc(C)cc(N4CCN(CC[NH3+])CC4)n3n2)cc1,-6.518 +9053,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(F)c4)c3)cc12,-6.516 +2610,Cc1nn(CCCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c(C)c1[N+](=O)[O-],-6.515 +6929,O=C(Nc1cccc(Cl)c1)c1coc(CN2CC[NH+](C[C@H](O)C[NH+]3CCCCC3)CC2)n1,-6.514 +934,CCN(CC)c1ccc([C@H]2NC(N)=Nc3[nH+]c4ccccc4n32)cc1,-6.514 +36,COc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1,-6.512 +8180,[NH3+][C@H](COc1cc(NC(=O)c2cncc(-c3ccccc3)c2)ccc1Cl)Cc1c[nH]c2ccccc12,-6.512 +9733,Cc1cc(C)c(C[C@H]([NH3+])COc2cnc(-c3ccc4[nH]nc(C)c4c3)s2)c(C)c1,-6.512 +2842,O=C1/C(=C/NC2CC2)C(CSc2nnnn2-c2ccccc2)=NN1c1ccccc1,-6.511 +6846,COCCNC1=Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)Nc1cc(Br)ccc1Br)C2,-6.511 +7810,CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1,-6.511 +2888,COc1cccc(-n2nnc(Cc3[nH]nc(C)c3C)c2C)c1,-6.509 +8941,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]4C[NH2+]CCC[C@H]4c4cccc(F)c4)c3)cc12,-6.509 +4781,O=C(NCc1cccc(F)c1)c1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1,-6.509 +855,CCC[NH+](CCC)CCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1,-6.508 +9500,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)cc2)cc1Cl,-6.508 +2660,COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)cc(OC)c1OC,-6.507 +8555,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2Nc2ccc(F)c(C(F)(F)F)c2)oc1Cl,-6.507 +3448,NC1=C(c2nc(-c3cccc(C(F)(F)F)c3)cs2)C(=O)CN1Cc1ccccc1,-6.505 +475,CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1,-6.504 +5479,COc1cc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)cc([N+](=O)[O-])c1,-6.504 +870,O=C(CSc1ncc(CO)n1Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl,-6.503 +3316,[H]/N=C1C(=C\c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)\C(=O)N=C2SC=C(C)N2\1,-6.503 +8851,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(Cl)cn2)oc1Cl,-6.502 +8786,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.502 +5800,O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NC1CCCCC1,-6.501 +8247,C[C@@H]1c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc2[C@@H](O)CC[N@@H+]1C,-6.501 +3362,CC/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1,-6.5 +4622,COc1ccc(OC)c(-c2cc(C(=O)N(CC(=O)N3CCCCC3)Cc3ccccc3)no2)c1,-6.5 +9070,CC(C)(c1ccc(Cl)c(Cl)c1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.497 +9807,[NH3+]C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,-6.497 +6951,c1ccc2c(Cc3nnc(-c4cc(C5CCOCC5)n[nH]4)o3)c[nH]c2c1,-6.497 +1422,O=S(=O)(Cc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1,-6.496 +3784,Cc1ccc(Cn2c(SCC(=O)N[C@@H](C)CCc3ccccc3)nc3ccsc3c2=O)cc1,-6.495 +190,COc1ccc(CC[NH2+]Cc2ccc(O)cc2)cc1OC,-6.494 +2575,Cc1ccccc1C(=O)N1CC[NH+](Cc2cc(=O)n3nc(-c4ccccc4C)sc3n2)CC1,-6.493 +9595,CN(C)c1cc2n[nH]cc2cc1-c1cncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1,-6.493 +8271,COc1ccc(O)cc1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-6.493 +8095,N#Cc1c[nH]c(=O)[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc2[nH]1,-6.493 +2631,COc1ccc(-n2c(SCc3ccccc3C(=O)NCC(C)C)nnc2-c2ccncc2)cc1,-6.489 +4364,O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2ccc3ccccc3c2)CC1,-6.488 +9199,CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,-6.488 +3919,Cc1nc(N2CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC2)c(Cc2ccccc2F)c(C)[nH+]1,-6.486 +7710,CNc1ncc2c(n1)CCCC2=O,-6.485 +8355,C#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,-6.483 +2986,CNc1c(NC(=O)COc2ccc(F)cc2)c(=O)oc2ccccc12,-6.481 +6939,Cc1n[nH]c(=O)c2cc(S(=O)(=O)NCc3cc(F)cc(F)c3)cn12,-6.481 +8702,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4cccc(F)c4F)cnc3-c3ccc[nH]3)cc12,-6.481 +3387,CC(C)[N@@H+]1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1cccc(C#N)c1)CC2,-6.48 +8825,Cc1cccc(C)c1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(C(N)=O)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,-6.48 +6581,C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1cccnc1,-6.48 +4508,COc1ccc(C[NH+]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC,-6.477 +5471,Cc1ccccc1CSc1ccc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc1[N+](=O)[O-],-6.475 +9901,Nc1cccc(-c2sc(C(=O)N[C@H](C[NH3+])Cc3ccc(Cl)cc3Cl)cc2Br)n1,-6.474 +4198,CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C\c2ccc(OC)c(O)c2)C1=O,-6.474 +9080,CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cnn2C)cn1,-6.473 +7622,Cc1c[nH+]c(CC2CCN(C(=O)CCC(=O)[O-])CC2)n1Cc1ccc(F)cc1,-6.473 +7648,CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccc(C(=O)NCCCSC3CCCCC3)cc21,-6.472 +1887,CS(=O)(=O)N1CCc2cc(C(=O)NCCOc3cccc4cccnc34)ccc21,-6.472 +9655,C=Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccncc4)c3)cc12,-6.471 +298,CSc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(C)cc2)S3(=O)=O)c1,-6.466 +9593,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2NC(=O)c2ccc(Cl)c(Cl)c2)oc1Cl,-6.464 +2975,O=C(c1cc(-c2ccncc2)n[nH]1)N1CCCC1,-6.464 +5080,CC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1,-6.463 +5236,Cc1cnc(-c2ccccc2)n1[C@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1,-6.462 +7116,CCn1c(=O)[n-]c2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)snc2c1=O,-6.461 +4903,CCc1cccc(NC(=O)CCn2cnc3onc(-c4cc(OC)ccc4Cl)c3c2=O)c1,-6.461 +8658,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1ccc(Cl)cc1,-6.461 +8618,Cn1ncc(Cl)c1-c1coc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(Cl)cc2)c1,-6.459 +9636,Cn1ncc(Cl)c1-c1coc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1,-6.458 +9746,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccsc3)cc12,-6.458 +54,COCCn1c(SCC(=O)Nc2nc(C)cs2)nc2c(c1=O)SCC2,-6.457 +2329,O=C(CCC1CCN(C(=O)c2ccccc2Cl)CC1)NCc1cccnc1,-6.457 +2328,COc1ccc(C2=[NH+][C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1,-6.456 +181,CC1=NN(c2ccc(C)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1,-6.456 +7266,COc1ccc(Cc2c(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc(C(C)C)[nH+]c2C)cc1,-6.455 +8651,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4c(F)cc(F)cc4Br)c3)cc12,-6.453 +5336,CCOC(=O)c1cc(C)n(C[C@H]2CC[C@H](C(=O)Nc3cccc(C(C)=O)c3)CC2)c1C,-6.453 +6845,CC(C)c1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2,-6.45 +9885,[NH3+][C@@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccccn2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.449 +7018,O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(O)c(O)c1,-6.447 +3003,O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O,-6.447 +5759,CCc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(-n2cnnc2)c1,-6.445 +8349,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(Cl)cc2)cc1Br,-6.445 +2582,COc1ccc2cc(C(=O)Nc3ccc(OC)c(OC)c3)/c(=[NH+]\c3ccc(C(=O)[O-])cc3)oc2c1,-6.444 +2214,CC(C)n1c(=O)oc2cc(NC(=O)COc3cccc(Cl)c3)ccc21,-6.444 +9128,[NH3+][C@H](COc1cncc(-c2cc3c(-c4ccoc4)n[nH]c3cn2)c1)Cc1ccccc1,-6.443 +8668,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(N4CCOCC4)c3c2)c1)Cc1cccc(OC(F)(F)F)c1,-6.443 +7525,CO/C([O-])=C1/C(=O)N[C+](SCc2cccc(F)c2)[C@@H](C#N)[C@H]1c1ccccc1OC,-6.443 +8220,CO[C@@H](Cc1ccccc1)C[N@H+](CC[C@@H]1NC[C@@H](NC(=O)c2cc(-c3ccnn3C)co2)C[NH2+]1)CNC(C)(C)C,-6.441 +9525,[NH3+][C@H](CNc1cncc(/C=C/c2ccncc2)c1)Cc1ccc(Cl)cc1Cl,-6.441 +4723,COCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2cccc(C)c2n1,-6.441 +6986,Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccc(F)cc3)nn(-c3cc(Cl)ccc3C)c2=O)cc1,-6.44 +1258,O=C(CCN(Cc1ccco1)c1nc(-c2ccco2)nc2ccccc12)NCc1cccc(C(F)(F)F)c1,-6.44 +7717,O=C(CCc1nnc2ccc(NCc3cccnc3)nn12)N1CCC2(CC1)OCCO2,-6.438 +9788,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)cnc3-c3ccc[nH]3)cc12,-6.438 +1628,CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCOCC4)c(C)c23)CC1,-6.437 +4607,CC1CC[NH+](Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5[nH]4)coc23)CC1,-6.437 +8983,[NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ncnc3cc(F)ccc23)CC1,-6.437 +9993,O=C(NC(=O)C1CCN(c2cc[nH+]c3ccccc23)CC1)c1ccc(Cl)cc1,-6.436 +493,Cc1sc2ccc(C(=O)NCc3csc(-c4ccccc4)n3)c(C)c2c1C,-6.435 +5029,COCCC1(C(N)=O)CC[NH+](C2CCN(C(=O)Cc3cccc(OC)c3)CC2)CC1,-6.432 +5084,CCc1ccc(-n2c(NN)nc3scc(-c4ccncc4)c3c2=O)cc1,-6.432 +607,Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)o2)cc1Cl,-6.431 +5103,C=CC(=O)N1CCN(CCN2C(=O)C(=O)c3ccccc32)CC1,-6.431 +8164,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CC[NH+]3CCC(O)CC3)C[C@H]2c2ccc(Cl)cc2)oc1Cl,-6.43 +5891,O=Cc1cc2ccccc2nc1Cl,-6.429 +9181,COc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Br,-6.429 +2302,COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)CC1,-6.427 +2176,O=C1[C@@H]([NH+]2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CCN1Cc1ccccn1,-6.427 +8146,[NH3+][C@H](COc1cncc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)c1)Cc1ccccc1,-6.426 +8345,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccccc3F)cc12,-6.424 +3584,CCn1cc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NCc2ccccc2)c2ccccc21,-6.424 +7326,Cc1c(C(=O)NCc2ccccc2)nn2c1C[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)C2,-6.421 +205,Cc1ccc(CNS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1,-6.421 +8772,CCn1c(-c2conc2N)nc2c(C#CC(C)(C)O)nc(OC[C@@H](C)[NH3+])cc21,-6.421 +8595,CCn1ncc(C)c1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(Cl)cc2)c1,-6.419 +2006,Cc1nc2c(C)cccn2c(=O)c1CC(=O)NCc1ccc(F)cc1F,-6.419 +5497,Cc1cncc(C(=O)NCC[N@H+](C2CCOCC2)[C@H]2CCN(S(C)(=O)=O)C2)c1,-6.418 +4332,CN(C)c1nc(CCC2CCN(C(=O)c3cccs3)CC2)no1,-6.418 +7255,[NH3+]Cc1ccccc1C(=O)[O-],-6.417 +9267,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c(N)nc3-c3cccs3)cc12,-6.417 +3351,O=C1[N-]C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1,-6.415 +9856,Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)oc1Br,-6.413 +1556,O=C(NCc1ccc(F)cc1Cl)[C@H]1CC(=O)N(c2cccc(F)c2)C1,-6.413 +1505,O=C(Nc1ccccc1Cl)C1CCN(c2[nH+]c3ccccc3n2Cc2cccc(F)c2)CC1,-6.413 +7651,O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)N1CCc2ccccc21,-6.412 +26,COCCN1C(=S)N[C@@H]2c3cc(C)ccc3O[C@@]1(C)[C@H]2C(=O)Nc1ccc(C)cc1C,-6.412 +928,NC(=S)N/N=C/c1cccc(/C=N/Nc2ccccc2)c1O,-6.41 +8726,CC(=O)OCC[C@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)C[NH2+]1,-6.41 +9646,C[NH2+]C[C@H]([NH2+]Nc1cc(Nc2cccc3c2OC(F)(F)O3)c2cc[nH]c2n1)c1ccccc1,-6.408 +8149,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cscc4Br)c3)cc12,-6.407 +1824,O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCc2ccccc2C1,-6.407 +3121,CCOC(=O)c1ccc(OCc2cncc(-c3cccc(C(F)(F)F)c3)c2)cc1,-6.406 +8400,C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4cc[nH]c4)c3)cs2)C1,-6.406 +460,Cc1cnn(CCC(=O)N[C@H]2CCN(c3ccc(=O)n(C)n3)C2)c1,-6.406 +8253,C=Cc1n[nH]c2cnc(-c3cncc(OC[C@H]([NH3+])Cc4ccccc4)c3)cc12,-6.406 +7138,CCc1ccc([C@H]2C(=O)N(C(C)C)c3nc(SC)nc(N)c32)cc1,-6.406 +7602,O=C([O-])CC(=O)CSc1nnc(-c2cccc(Cl)c2)o1,-6.405 +5858,Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cn2)CC1=O,-6.405 +8682,[NH3+][C@H](COc1cncc(-c2ccc3cncnc3c2)c1)Cc1c[nH]c2ccccc12,-6.404 +2546,O=C(CCc1nnn2c1CN(Cc1ccccc1F)CC2)N1CCOCC1,-6.404 +7676,CN1C(=O)CC(=O)/C(=C/N2CCOCC2)C1=O,-6.404 +1534,O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)Nc1ccc2c(c1)OCCO2,-6.403 +8371,O=C(N[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc2nnccc2c1)c1ccncc1,-6.403 +9455,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)c21,-6.402 +5673,COCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2cccc(F)c2)CC1,-6.4 +8821,CCC[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.398 +7354,N#Cc1ccc(N2C[C@H]3CN(C(=O)C4(c5ccccc5)CC4)CC[C@@]3(CO)C2)cc1C(F)(F)F,-6.398 +8348,[NH3+][C@H](CNc1cccc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,-6.396 +7786,CC(C)CCNC(=O)CSc1nc2ccccc2n(C)c1=O,-6.395 +1546,CCC(CC)C(=O)N1CC[C@@]2(CO)CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1,-6.394 +4161,CCCC(CCC)NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3C)oc2C)CC1,-6.39 +129,Cn1c(=O)cc(N/N=C/c2ccc(O)cc2)n(-c2cccc3ccccc23)c1=O,-6.39 +3871,CCOC(=O)c1c(NC(=O)c2ccncc2)sc(C(C)=O)c1C,-6.386 +8469,Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC(=O)Oc4ccccc4)C3)c12,-6.385 +2547,CCOc1ccc(-c2n[nH]c3c2c[n+](Cc2cccc(F)c2)c2cc(OC)c(OC)cc32)cc1,-6.385 +1246,Cc1coc2cc3oc(=O)c(CC(=O)NCc4ccc(F)cc4)c(C)c3cc12,-6.385 +8849,Cc1n[nH]c2ccc(-c3cncc(OC[C@H]([NH3+])Cc4ccccc4Br)c3)cc12,-6.384 +8196,C=Cn1ncc(C)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)oc1Cl,-6.384 +9907,Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Br)cc4)c3)cc12,-6.381 +8021,O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1,-6.381 +9761,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1,-6.379 +8934,Cc1cnccc1-c1ncc(OC[C@@H]([NH3+])Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1,-6.377 +1930,Cc1ccc(C(=O)N(CC[NH+]2CCCCC2)Cc2csc(COc3cccc(C)c3C)n2)cc1,-6.377 +5196,O=C(Cn1sc2ccccc2c1=O)Nc1ccc2cc[nH]c2c1,-6.376 +214,O=C(NCc1cccnc1)c1coc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)n1,-6.376 +2067,Cc1ccc(F)c(N2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2=O)c1,-6.376 +130,O=C(NCc1ccncc1)c1noc(Cc2cc(-c3ccccc3F)on2)n1,-6.376 +9528,CNC(=O)c1sc2cc(Nc3ccnc(Nc4c[nH]c5ccccc45)n3)c(C)ccc1-2,-6.375 +1762,COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)Nc5cccnc5)n4n3)CC2)c1,-6.375 +3880,Cc1ccc(Cl)cc1N1CC[NH+](Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1,-6.374 +165,C[N@@H+]1CN(C(=O)Cc2csc(-c3ccccc3F)c2)CC[C@H]1C(N)=O,-6.374 +9690,CC(C)Nc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2c[nH+]1,-6.369 +3403,C[NH+](C)CCNC(=O)c1coc(C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccccc2C(F)(F)F)n1,-6.369 +8835,Cc1cccc(CC(C)(C)[C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc32)c1,-6.369 +2708,O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F,-6.368 +9010,CC(C)(Cc1ccco1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.368 +8550,[NH3+][C@H](COc1cncc(-c2ccc3cnc(Cl)cc3c2)c1)Cc1c[nH]c2ccccc12,-6.367 +306,O=c1cc2c(nn1C[NH+]1CCN(c3ccccc3)CC1)CCCCC2,-6.366 +9524,[NH3+][C@H](COc1cncc(-c2ccc3[nH]c([O-])c(N=O)c3c2)c1)Cc1c[nH]c2ccccc12,-6.366 +8167,COc1ccc(C[C@H]([NH3+])CNc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)cc1,-6.364 +2040,CCc1ccc(C2=NC3(CCN(C(C)=O)CC3)[NH2+][C@H](c3ccccc3O)C2)cc1,-6.364 +6918,CCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)CC2CCCC2)CC1,-6.364 +4079,COc1ccc(C(=O)N2CCC3(CC2)C[C@H](CCOc2cccnc2)CCO3)c(C)c1,-6.364 +8356,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(Cl)cc2)oc1Cl,-6.363 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+8195,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2C[NH2+][C@@H](CCO)[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl,-6.355 +8557,[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cccc(OCC2CC[NH2+]CC2)c1,-6.355 +1062,CN1CC[NH+](CCNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)CC1,-6.355 +8560,O=C(N[C@@H]1CCC[NH2+]C[C@H]1NC(=O)c1ccncc1)c1ccc(C(F)(F)F)cc1,-6.353 +149,COc1cccc(-c2nc(Cn3c(C)nc4ccccc4c3=O)no2)c1,-6.353 +1631,COc1cccc(CNC[NH2+]Cc2ccco2)c1,-6.353 +3060,COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)c1O,-6.352 +5641,Cc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)Nc1cccc(F)c1,-6.352 +8753,Cc1n[nH]c2ccc(-c3cncc(OCC[C@@H]([NH3+])Cc4ccc(Cl)cc4)c3)cc12,-6.351 +6146,CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2ccccc2F)CC1,-6.35 +7520,O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cc(-c3cccnc3)ccc2o1,-6.35 +2246,CCc1nnc(-c2cc(S(=O)(=O)Nc3cccnc3)c[nH]2)o1,-6.35 +4468,CCCn1c(=O)c2sccc2n2c(SCC(=O)Nc3cc(Cl)ccc3OC)nnc12,-6.349 +4197,O=C(CCN(Cc1ccco1)c1nc(-c2cccc(Br)c2)nc2ccccc12)NCc1ccncc1,-6.348 +8739,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(F)(F)C(=O)N3)c1)Cc1n[nH]c2ccccc12,-6.348 +5792,COc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1,-6.347 +1162,Cc1ccc(NC2=C(Sc3cccc(NC(=O)CC(C)C)c3)C(=O)N(c3ccccc3)C2=O)cc1C,-6.347 +667,C=CCNc1n/c(=[NH+]\c2cc(Cl)ccc2C)c([N+](=O)[O-])c(N)[nH]1,-6.347 +8650,Cc1n[nH]c2ccc(-c3ccncc3-c3nnc(NC[C@@H]([NH3+])Cc4cccc(F)c4)s3)nc12,-6.347 +9645,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H]([NH3+])Cc3c[nH]c4ccccc34)cc21,-6.347 +6629,O=S(=O)(c1cccc(Br)c1)N1CCN(c2ncnc3c2nnn3-c2cccc(Cl)c2)CC1,-6.346 +5380,COc1ccc(OC)c(NC(=O)c2cccn3c(-c4ccccc4F)nnc23)c1,-6.346 +6663,Cc1[nH]c(C(=O)N2CCC(CC(=O)NCC[NH+]3CCCC3)CC2)c(C)c1C,-6.346 +9368,CNC(=O)Nc1ccc(CNc2c(C(F)(F)F)cnn2C)cc1,-6.344 +762,CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ccncc1)CC2,-6.344 +9876,COc1ccc(O)c(C(=O)c2ccc(C(=O)N[C@@H]3CCC[NH2+]C[C@H]3NC(=O)c3ccncc3)nc2)c1F,-6.344 +8143,COc1ccc(O)c(C(=O)c2ccc(C(=O)N[C@@H]3CCC[NH2+]C[C@H]3NC(=O)c3ccncc3)nc2)c1F,-6.344 +7400,Cc1cccn2c(=O)cc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc12,-6.344 +4414,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1,-6.344 +4515,O=C(/C=C1/Sc2ccccc2N(Cc2ccc(F)cc2)C1=O)NCc1ccc(F)cc1,-6.343 +8334,O=C(N[C@@H]1C[NH2+]CC[C@H]1c1cccc(C(F)(F)F)c1)c1cc(Br)c(Cl)o1,-6.342 +5329,CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(O)cc2)NC(=O)N1,-6.341 +6705,O=C(NCc1ccccc1)[C@@H]1CC(=O)N(C2C[NH+](Cc3ccc(Cl)cc3)C2)C1,-6.341 +1875,O=C1C=CC(=O)N1Cc1cc(-c2cccc(Cl)c2)no1,-6.341 +3758,CCOc1ccccc1[C@H]1c2c([nH]c(=O)c(C(=O)OC)c2[O-])[NH+]=C(SCC(=O)Nc2ccc(C)cc2C)[C@H]1C#N,-6.34 +403,Cc1ccc(C)c(-c2cc(CN(Cc3ccccc3)C(=O)NC(C)C)no2)c1,-6.338 +5432,COc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)sc2c1,-6.337 +9584,Cc1cc(CC(C)(C)[C@@H]2Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc3NC2=O)oc1C,-6.337 +550,O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@H]1CC(=O)N(C2CCCCC2)C1,-6.336 +7228,O=C(CCc1ccccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1,-6.336 +2943,Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3cc(F)ccc3F)ccc21,-6.336 +3954,COc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-],-6.334 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+9046,[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-6.323 +9653,Nc1nc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2cc1OC[C@@H]([NH3+])Cc1c[nH]c2ccccc12,-6.322 +9320,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@@H](CC[NH3+])c3ccccc3)nc21,-6.322 +7058,CC1(C)Cc2c(sc(NC(=O)CCc3ccc(-c4ccccc4)o3)c2C(N)=O)CO1,-6.321 +4369,O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(N2CCOCC2)c(F)c1,-6.321 +6022,CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(=O)OC)ccc2Cl)CC1,-6.321 +173,Oc1ccc(Br)cc1/C=N/Nc1nc(Nc2ccc(Br)cc2)nc(N2CCOCC2)n1,-6.321 +2450,COC(=O)c1ccccc1NC(=O)N1CC[NH+](CCO[C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1,-6.32 +4141,COCC(=O)N[C@@H]1CN(C(=O)c2ccc(C)cn2)C[C@H]1c1nc(-c2ccccc2)n[nH]1,-6.319 +6683,O=C(c1c[nH]c2ccccc12)N1CC[C@H](c2noc(-c3cnccn3)n2)C1,-6.319 +1351,CCc1ccc(OCc2nc3c(C)cccc3[nH]2)cc1,-6.318 +7345,COc1ccc(OC)c(-c2nnc(CCl)o2)c1,-6.318 +3715,O=C([C@H]1CCCN(c2nnc3n2CCCC3)C1)N1CCN(c2ccc(F)cc2)CC1,-6.317 +3537,Cc1noc([C@H]2CCN(C(=O)Cc3ccncc3)CCN2C(=O)C2CCCC2)n1,-6.316 +7617,COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-n2cccc2)c1,-6.314 +2039,O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccnc1)NC(=O)c1cccc(Cl)c1,-6.314 +8977,CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)C(F)(F)O4)cnn2C)cn1,-6.313 +9494,CNC(=O)Nc1cncc(/C=C/c2cncc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)c2)n1,-6.312 +9201,Cc1ccccc1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-6.312 +7673,COc1ccc(C[NH+]2CCN(C(=O)c3nn(C)c(=O)c4ccccc34)CC2)c(OC)c1,-6.311 +1611,CC(C)CNC(=O)N(Cc1ccco1)Cc1[nH+]ccn1Cc1ccccc1F,-6.31 +2107,COc1cccc(C(=O)Nc2cccn3nc(C(C)C)nc23)c1,-6.309 +5228,Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ncccc2F)n[nH]1,-6.309 +3505,CCn1c2ccccc2c2sc(C)nc21,-6.308 +5567,O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1,-6.307 +4720,CCn1c2ccccc2c2cc(CNc3cccnc3)ccc21,-6.306 +5079,Cc1cc(C)cc(Nc2n[nH]nc2C(=O)NCc2ccc(F)cc2)c1,-6.305 +6181,CC(C)=C1C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc21,-6.305 +9091,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(OCC[NH3+])cc4)c3)cc12,-6.304 +8986,Nc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2cn1,-6.304 +8144,[NH3+][C@H](COc1cncc(-c2ccc3[nH]c([O-])c(N=O)c3n2)c1)Cc1c[nH]c2ccccc12,-6.304 +8559,CNc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccoc3)cc12,-6.303 +9516,N#Cc1ncncc1OC[C@@H]([NH3+])Cc1c[nH]c2ccccc12,-6.303 +7263,Cc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(F)cc4)c3c2)cc1C,-6.303 +9559,[NH3+][C@H](COc1cncc(-c2cc3c(-c4cccs4)n[nH]c3cn2)c1)Cc1ccccc1,-6.302 +1337,Cc1ccc2oc(=O)c3cnn(CC(=O)N(C)Cc4ccco4)c3c2c1,-6.301 +9257,CC(C)(CC1CC1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.3 +9948,O=C(NCc1ccc(Cl)cc1)C1CCN(c2ncccc3[nH]cc2-3)CC1,-6.3 +8896,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)ccc3-c3cc(F)cc(Cl)c3)cc12,-6.298 +9859,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)[S@](=O)c4ccc(F)cc4)c3)cc12,-6.298 +9573,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@H](CC[NH3+])c3ccccc3)cc21,-6.297 +613,COC(=O)[C@]1(C)Cc2c(Br)cccc2N1C(=O)/C=C/c1ccc(Br)cc1,-6.297 +9813,[NH3+][C@H](COc1cncc(-c2ccc3ccncc3c2)c1)Cc1ccc2c(c1)OCO2,-6.297 +3556,CCCC1=NN(C(=O)CCc2ccccc2)[C@](O)(C(F)(F)F)C1,-6.294 +266,COc1ccc([C@H](c2ccc(F)cc2)[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-6.293 +243,O=C([O-])[C@H]1CC(c2cn(Cc3ccccc3)c3ncccc23)=NO1,-6.292 +6694,O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1I,-6.292 +9794,Nc1cccc2c1NC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)[NH2+]C2,-6.291 +8521,C[NH2+][C@H](Nc1ncc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1)c1ccccc1,-6.291 +2778,COC(=O)[C@@H](C(=O)NCC#N)N(C)c1ccccc1Cl,-6.291 +7541,CCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCOCC3)cc21,-6.29 +7666,COc1cccc(C(=O)Nc2nn3c(C4CCCCC4)nnc3s2)c1,-6.29 +164,CCOC(=O)c1c(C)oc2nc(C)nc(NCC[N@H+](Cc3ccc(C)o3)C(C)C)c12,-6.289 +9539,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)cc1Br,-6.288 +8608,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(Cl)c(Cl)c2)oc1Br,-6.287 +7235,O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1,-6.287 +3008,CC(=O)N1CCN(C(=O)c2c(C)oc3c2C[N@H+](Cc2ccccc2)CC3)CC1,-6.287 +9048,Cc1cc(C)c(C[C@H]([NH3+])COc2cncc(-c3ccc4[nH]nc(Cl)c4c3)c2)c(C)c1,-6.286 +8860,CC1(C)C(=O)Nc2ccc(N[C@H](COc3cncc(-c4cccc5c4C(=O)NC5)c3)Cc3c[nH]c4ccccc34)cc21,-6.285 +8226,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(F)c(Br)cc4F)c3)cc12,-6.283 +4130,CCc1ccccc1-c1csc(-c2nc(-c3ccc(F)cc3)cs2)n1,-6.278 +1665,O=C1Nc2ccccc2S[C@@H]1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1,-6.278 +7766,Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccccc3C(F)(F)F)cc(=O)n2c1,-6.278 +6775,O=C(CCc1nc(-c2ccccc2F)no1)NCc1ccccc1F,-6.278 +9134,[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)c3c2)c1)Cc1c[nH]c2ccccc12,-6.278 +6674,O=C([O-])c1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1,-6.278 +1255,O=C(C1CCCC1)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)CC1CC1,-6.273 +2367,CCCC(=O)N1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1,-6.273 +7756,COc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2ccc(F)cc2)cc1,-6.273 +7732,CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)c1,-6.273 +1067,Cc1nc(Cc2nc3ccccc3nc2C[NH2+]Cc2ccc(F)cc2)no1,-6.271 +4499,CCc1ccccc1NC(=O)Cn1ncc2c(N3CCOCC3)ncnc21,-6.271 +2283,Cc1ccsc1[C@H]1CC(=O)[NH+]=C(SCc2ccccc2)[C@H]1C#N,-6.269 +1060,O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCc1cccc[nH+]1,-6.269 +8425,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c(Cl)[nH]c5ccccc45)cnc3-c3ccccc3)nc12,-6.268 +4633,O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1cccc(F)c1,-6.268 +3434,COc1ccc2nc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n(S(=O)(=O)c3ccc(C)cc3)c2c1,-6.268 +5354,Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)CCO2,-6.268 +9390,Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4n[nH]c5ccccc45)c3)cc12,-6.267 +8667,Cc1ccc(C[C@H]([NH3+])COc2cncc(-c3ccc4c(c3)C=C4)c2)cc1F,-6.265 +5344,C/C(=N/Oc1nc(Cc2ccccc2)c2c(c1C#N)CCCC2)c1cccc(C)c1,-6.265 +3136,CC(C)[N@@H+]1C[C@@H](O)C[C@H]1c1nnc2n1CC[N@@H+](Cc1ccccc1C(F)(F)F)C2,-6.264 +8478,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@@H](CC[NH3+])c3ccccc3)cc21,-6.263 +8588,CC(=O)Nc1nc(C#CC(C)(C)C)c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2n1,-6.263 +9782,[NH3+][C@H](COc1cncc(-c2cc3ccncc3cn2)c1)Cc1c[nH]c2ccccc12,-6.262 +6477,Cn1nnnc1SCCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-],-6.261 +8051,O=C([O-])COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1,-6.261 +8198,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccsc3)cc12,-6.26 +1349,O=C(C[C@H]1[NH2+]CCNC1=O)Nc1ccccc1,-6.26 +5240,Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)NCc1cccnc1,-6.259 +115,Cc1ccc(-c2ccc3nnc(CNC(=O)c4cccc(N(C)C)c4)n3n2)cc1C,-6.258 +9056,Cn1ncc(Br)c1-c1csc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1,-6.258 +135,Cc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)n1,-6.257 +1656,Cn1c(NNC(=O)c2ccccc2Cl)cc(=O)n(C)c1=O,-6.257 +2141,Cc1nn2c(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)c(C)nc2s1,-6.256 +8811,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccsc4)cnc3-c3ccoc3)cc12,-6.256 +203,C=CCN1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S,-6.256 +9366,O=C(NCCC1CC[NH2+]CC1)c1ccc2ccccc2c1,-6.256 +1229,O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCCC4)N1CCN(c2ccccc2)CC1,-6.255 +8298,Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])c4ccccc4)cnc3-c3ccoc3)cc12,-6.255 +4573,Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](C(=O)N(C)C)N(c2ccc(C#N)c(C(F)(F)F)c2)C3)cn1,-6.253 +7480,Cc1cccc(NC(=O)CSc2nc3ccccc3s2)c1C,-6.252 +8990,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC5CC[NH2+]CC5)c4)c3)cc12,-6.251 +3086,CCn1c(=O)sc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc21,-6.251 +805,Cn1c(=O)c2c(nc(C[NH+]3CCN(c4ccccc4F)CC3)n2CCCO)n(C)c1=O,-6.251 +191,CCOC(=O)Cc1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1,-6.249 +155,COc1ccc(Cn2c(C(=O)[O-])c(C[NH2+]Cc3ccc4c(c3)OCO4)c3ccc(OC)cc32)cc1,-6.249 +5014,CN(C)c1nc(OCC(=O)NCc2ccccc2Cl)nc(N2CCOCC2)n1,-6.249 +3739,CCc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3OC)C(=O)C[C@](C)(O)[C@H]2C(=O)Nc2ccccc2C)cc1,-6.248 +9920,Cn1cccc1C[C@@](C)(O)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,-6.248 +9094,[NH3+][C@@H](COc1cncc(-c2ccc3c(c2)C(F)(F)C(=O)N3)c1)Cc1ccccc1,-6.247 +7490,CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1-c1ccc(F)cc1,-6.247 +7535,Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3cccc(F)c3)C1)O[C@H](C)C(=O)N2,-6.245 +2696,O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)NCCC[NH+]1CCN(c2ccccc2)CC1,-6.245 +1081,O=C1C[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1,-6.244 +625,COCCNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1,-6.244 +6547,Cc1noc2ncnc(N3CCC[C@H](C(=O)N4CC[NH+](Cc5ccccc5)CC4)C3)c12,-6.243 +67,O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1)Nc1cccc(F)c1,-6.243 +9220,C#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2ccncc2c1,-6.243 +9652,[NH3+][C@H](COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,-6.242 +9982,[NH3+][C@H](COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,-6.242 +7431,Cc1nc(C)c(CC(=O)Nc2ccc(F)c(Cl)c2)s1,-6.242 +5390,COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2,-6.242 +4405,COc1ccc(-c2nnc(SCc3cc(C(C)=O)ccc3OC)n2-c2ccccc2)cc1,-6.242 +4697,CCn1c(C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc2sccc21,-6.241 +9912,CC(C)(Cc1cccs1)[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cnc5c(c4)C=CC5)c3)cc21,-6.241 +1253,Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H](C(=O)N2CCOCC2)[N@@H+](C)C3)s1,-6.24 +5115,O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1nc(-c2ccccn2)cs1,-6.239 +6344,C[NH+](C)CCNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)cc2)n1,-6.239 +3484,O=C(NCCCN1CCOCC1)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(F)cc2)C1,-6.238 +1473,COc1ccc(NC(NCc2ccccn2)=[NH+]C(=O)c2cccc(Cl)c2)cc1Cl,-6.238 +4869,O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)c1ccc(Cl)cc1,-6.238 +7930,Cc1ccc(-c2nc3cnc(-c4ccc(C)cc4C)cn3c2CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1,-6.237 +440,CCn1ccc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C[C@H]2c2cccc(OC)n2)n1,-6.237 +1685,Nc1c(-c2nnc(SCC(=O)Nc3ccccc3)n2Cc2ccco2)sc2ncccc12,-6.237 +7279,Cc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2cccc(F)c2)S3)cc1F,-6.236 +8789,Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)cc1Cl,-6.236 +5520,O=c1c(NCc2ccccc2Cl)nccn1-c1ccc(F)c(F)c1,-6.236 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+2505,Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)c(=O)[nH]1,-6.204 +6782,Cc1ccc(NC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1C,-6.202 +9250,Cc1cc(F)ccc1C[C@H]([NH3+])COc1cncc(-c2ccc3c(c2)[C@@H](C(C)(C)Cc2cccn2C)C(=O)N3)c1,-6.201 +7185,CCOc1ccccc1-c1noc(CSc2nc(C)c(CC)c(=O)[nH]2)n1,-6.2 +9729,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c(C#N)[nH]c5ccccc45)cnc3-c3cccs3)nc12,-6.2 +6027,O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)Nc1ccccc1Cl,-6.2 +6668,CC1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1,-6.199 +8468,Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c(N)nc3-c3ccccc3Cl)cc12,-6.199 +3193,Cc1ccc(C[NH+]2CCN(C/[NH+]=C/c3ccco3)CC2)cc1,-6.198 +7508,Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=[NH2+])cc1,-6.197 +6485,COc1ccc(-c2noc(-c3c(SC)nn(CC(=O)Nc4cc(C)cc(C)c4)c3N)n2)cc1,-6.197 +3259,Cc1ccc(C)c(C(=O)N2C[C@H](CO)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)c1,-6.197 +1894,Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1,-6.197 +9197,Cc1cc(CC(C)(C)[C@@H]2C(=O)Nc3ccc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6cnccc56)c4)cc32)oc1C,-6.197 +2458,O=C(C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2ccccc2C1,-6.196 +6166,CCCCN(CC)C(=O)c1cc(-c2cccc(O)c2)on1,-6.196 +2245,CCOc1cc(CNC(=O)/C=C/c2ccc3c(c2)c2ccccc2n3C)cc(OCC)c1OCC,-6.196 +7288,O=[N+]([O-])c1ccccc1/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1,-6.195 +4846,Cc1cccc(-c2nc(Cc3ccccc3C(=O)NCC[N@H+]3CC=C(c4cccnc4)CC3)c(C)o2)c1,-6.195 +2338,Cc1ccc(-c2nnc(SCc3noc(CCC(=O)Nc4cc(C)cc(C)c4)n3)o2)cc1,-6.195 +2019,O=C1C(=Cc2cccc(-c3ccc(N4CCCCC4)cc3O)n2)C(=O)c2ccccc21,-6.195 +9808,Cc1cc(C[C@H]([NH3+])COc2cncc(-c3ccc4cnccc4c3)c2)ccc1Br,-6.194 +4537,COc1cc(/C=C/C(=O)NC2CCCCC2)ccc1O,-6.192 +8801,Cn1c(-c2cc(C(=O)N[C@H](CC[NH3+])c3ccccc3)oc2Br)cc2cc[nH]c21,-6.192 +7770,O=C(Nc1ccccc1)c1nnc(CNS(=O)(=O)Cc2ccccc2Cl)s1,-6.192 +9207,CCn1nc(C[NH3+])c2c(C#CC(C)(C)O)nc(C[NH2+]C)cc21,-6.192 +5532,COc1ccc(CCN2Cc3cc(NC(=O)c4ccc(F)cc4)ccc3O[C@@H](C)C2=O)cc1OC,-6.192 +6587,CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4ccsc4n3)c2)cc1,-6.191 +8882,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CCC[NH3+])cc21,-6.191 +9796,Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4cc[nH]c4)cnc3-c3ccoc3)cc12,-6.191 +2447,O=Cc1c([O-])c2ccccc2oc1=O,-6.19 +589,Cc1ccc(Nc2nc(N/N=C/c3c(Cl)cccc3Cl)nc(N3CCOCC3)n2)cc1,-6.19 +9237,CCn1c(-c2non[nH+]2)nc2c(C#CC(C)(C)O)nc(OC[C@H](C)[NH3+])cc21,-6.189 +6762,CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)n[nH]2)N(Cc2ccc(C)o2)C1,-6.189 +6597,CCOC(=O)C[C@@H](Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(OC)cc1,-6.188 +7554,Cc1ccccc1CSc1nc2ccncc2n1CC(=O)Nc1ccccc1C(F)(F)F,-6.188 +9090,Nc1[nH+]cccc1C1=C[C@H](COc2cnc(Cl)c(/C=C/c3ccncc3)c2)C1,-6.187 +1927,COc1cccc(-n2c(=O)n(Cc3ccccc3Cl)c(=O)c3cccnc32)c1,-6.187 +7536,CCCn1ccc2c(NC(=O)CCc3cc4ccccc4cc3OC)cccc21,-6.185 +7254,Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCOCC2)cc1,-6.185 +4983,O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccco1,-6.185 +1626,COc1cccc(NC(=S)N/N=C/c2cc([N+](=O)[O-])cc3ccccc23)c1,-6.184 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+471,CC(C)=C1Nc2c(C)c(F)cc(N)c2C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](C3=CN(Cc4ccccc4)CC3=O)N12,-5.213 +211,C=c1cc2n(c3c(C)ccc4cccc1c43)[C@H](c1ccn(CCCO)c1)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@@H]2CC4,-5.21 +1240,COc1ccc2c(c1O)C[C@H]1[C@H]3CCc4c[nH+]c(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc([C@@H]4CCCO4)c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-5.209 +95,C[C@@H]1[C@H]2CC(=O)N3CC[C@@H](NC4=C(C=O)CN5C(=O)c6c(N)nc(N)nc6N1[C@H]5[C@@H]4N2)[C@@H](O)C3,-5.208 +321,C=c1cc2n(c3c(C)c[nH+]c4c(C(=O)[O-])ccc1c43)[C@H](c1ccn(CCC)c1)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@@H]2CC4,-5.206 +818,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(Cn5cc[nH]c5=O)c4)N4c5ccc(O)c6c5-c5c(cccc5C(=O)C6)C[C@@H]4[C@H](CC2)N13,-5.195 +1038,COc1cc(O)c2c(c1O)C[C@@H]1[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(C(=O)[O-])c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-5.195 +2021,COc1cc(O)c2c(c1OC)C[C@H]1[C@H]3CCc4cnc(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(C[N@@H+](C)CC(=O)[O-])c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-5.184 +875,NC(=O)c1ccc(O)c(C2=[N+]3c4ccc(C(=O)[O-])cc4-c4c(O)cc(O)c(O)c4C[C@@H]3[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H]2NC5=O)c1[O-],-5.177 +489,COCC1=CC/C(=C2/Nc3c(cc(F)cc3C(N)=O)C[C@@H]3[C@H]4CCc5c[nH+]c(N)c6c5N4C(=C(c4ccccc4F)N23)NC6=O)C1,-5.149 +799,NC(=O)c1cc(F)cc2c1-c1cc(O)ccc1N1C(c3cncc(C[NH+]4CCCC4)c3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@@H](CC5)[C@@H]1C2,-5.145 +1220,Nc1[nH+]cc2c3c1C(=O)N[C@H]1C(c4c(O)ccc(CCCC(=O)[O-])c4O)=[N+]4c5ccc(C(=O)[O-])cc5-c5ccc(F)c([O-])c5C[C@H]4[C@@H](CC2)N31,-5.143 +786,C[C@@H]1NC(=O)C2=C3C(=CC2)N2[C@H](c4cncc(-c5ccccc5)c4)c4nc(=O)c5c(N)ncc6c5n4[C@H](CC6)[C@H]2Cc2cc(F)cc1c23,-5.132 +814,NC(=O)c1cc(F)cc2c1-c1ccccc1N1C(c3cncc(C[N@H+]4CCCOC4)c3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@@H](CC5)[C@@H]1C2,-5.132 +1029,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(CN5CCNC5=O)c4)N4c5ccc(O)c6oc(=O)c7cc(F)cc(c7c56)C[C@H]4[C@@H](CC2)N13,-5.132 +116,CCCCC/C(C=O)=C1\CC=C2C(=O)N(Cc3ccc([O-])c(C(F)(F)F)c3)/C(=C\CCC[NH3+])[N-]C2=N1,-5.128 +585,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(C[N@@H+]5CC[NH2+]C5)c4)N4c5ccc(O)cc5-c5c(cccc5C(=O)[O-])C[C@@H]4[C@@H](CC2)N13,-5.126 +539,Nc1[nH+]cc2c3c1C(=O)NC1=C4c5c(O)ccc6c5OC[C@@H](COc5ccc7c(c5)N4[C@@H](Cc4cc(=O)occ4-7)[C@@H](CC2)N13)CO6,-5.118 +1019,Cc1n(C)nc[n+]1Cc1cncc(C2=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@@H](CC5)[C@H]3Cc4cccc(C(N)=O)c4-c4cc(O)ccc4N23)c1,-5.118 +1261,NC(=O)c1cc(F)cc2c1-c1cc(O)ccc1N1C(c3cncc(CN4C[C@@H](O)CC4=O)c3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@@H](CC5)[C@@H]1C2,-5.117 +2012,COc1c(O)cc(O)c2c1C[C@@H]1[C@H]3CCc4c[nH+]c(N)c5c4N3C(=C3c4c(O)ccc(c4O)CN4CO[C@@H](C4)OOc4cc(c-2cc4C(=O)[O-])N31)NC5=O,-5.102 +214,C=c1cc2n(c3c(C)ccc4c(C)ccc1c43)[C@H](c1cnn(CCC)c1)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@H]2CC4,-5.099 +578,COc1cccc2c1C[C@H]1[C@H]3CCc4cnc(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(CC[NH3+])c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-5.094 +1227,Cc1c(O)cc2c3c1N1C(C4=CN(CC5(C)CCOCC5)C(=O)C4)=C4NC(=O)c5c(N)[nH+]cc6c5N4[C@@H](CC6)[C@H]1Cc1cc(F)cc(c1-3)CC2,-5.092 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+584,C[NH2+]Cc1ccc(O)c(C2=[N+]3c4ccc(C(=O)[O-])cc4-c4ccc(F)c(O)c4C[C@@H]3[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H]2NC5=O)c1O,-4.943 +370,Cc1cccc2c1N1C(C3=CN(C[C@H](C)CCO)C(=O)C3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@@H]1Cc1ccccc1-2,-4.935 +1044,NC(=O)c1cc(F)cc2c1-c1cc(O)c3cc1N1C(=C4NC(=O)c5c(N)[nH+]cc6c5N4[C@@H](CC6)[C@H]1C2)c1cncc(c1)C[N@H+]1CC[C@@H](C1)N3,-4.934 +23,CCCN1C(=O)c2c(N)ncnc2N2[C@@H]1C(=O)N[C@H](CCc1ncn[nH]1)[C@@H]2C,-4.931 +311,Nc1[nH+]cc2c3c1C(=O)NC1=C([C@@H](C=O)C(=O)CC(=O)[O-])N4c5c(O)ccc(O)c5-c5ccc(F)cc5C[C@@H]4[C@@H](CC2)N13,-4.93 +505,COc1ccc2c(c1)N1C(c3c(O)ccc4c3OCC(=O)O4)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@H]1Cc1cc(=O)occ1-2,-4.917 +836,C[NH2+]Cc1ccc(O)c(C2=[N+]3c4ccc(C(=O)[O-])cc4-c4ccc(O)c(OC)c4C[C@@H]3[C@H]3CCc4c[nH+]c(N)c5c4N3[C@H]2NC5=O)c1O,-4.916 +83,CCCC/C(C(=O)[O-])=C1\CC=c2c(nc(C=C([O-])c3ccsc3)n(Cc3ccccc3)c2=O)=[NH+]1,-4.908 +30,C[C@@H]1C[C@H]2[NH2+][C@@H](CC(=O)NCC(=O)[O-])[C@@H](C)N3c4nc(N)nc(N)c4C(=O)N(C1)[C@@H]23,-4.904 +389,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(C5=CN=CC5)c4)N4c5ccccc5-c5c(CO)cccc5C[C@H]4[C@@H](CC2)N13,-4.904 +793,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(CN5CCNC5=O)c4)N4c5ccc(O)cc5-c5c(cccc5C(=O)[O-])C[C@H]4[C@@H](CC2)N13,-4.883 +476,NC(=O)c1cccc2c1-c1ccccc1N1C(c3cncc(C[NH+]4CCCC4)c3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@H]1C2,-4.878 +593,NC(=O)c1cccc2c1-c1ccccc1N1C(c3cncc(C[NH+]4CCCCC4)c3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@H]1C2,-4.868 +1407,COc1cc(O)c2c(c1O)C[C@@H]1[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(CC(C)(C)C)c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-4.867 +846,C[NH2+]Cc1cc(F)cc2c1-c1cccc(C)c1N1C(C3=CN(CC4CCCC4)C(=O)C3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@@H]1C2,-4.864 +798,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(CN5C=[NH+]CC5)c4)N4c5ccc(O)cc5-c5c(cc(F)cc5C(=O)[O-])C[C@H]4[C@@H](CC2)N13,-4.863 +1095,Nc1[nH+]cc2c3c1C(=O)NC1=C4c5c(O)ccc6c5OCc5c(cccc5O6)Oc5ccc6c(c5)N4[C@@H](Cc4cc(=O)occ4-6)[C@H](CC2)N13,-4.86 +791,C[NH2+]Cc1cc(F)cc2c1-c1cccc(C)c1N1C(C3=CN(C[C@H](C)CCO)C(=O)C3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@@H]1C2,-4.853 +1037,CNCc1cc(F)cc2c1-c1cccc(C)c1N1C(C3=CN(C[C@@]4(C)CCOC4)C(=O)C3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@@H](CC5)[C@H]1C2,-4.85 +565,CC(C)=C1Nc2c(C)c(F)cc(N)c2C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](C3=CN(Cc4cccc(C)c4)CC3=O)N12,-4.838 +1588,C[N@H+](CCO)Cc1ccc(O)c(C2=[N+]3c4ccc(C(=O)[O-])cc4-c4ccc5c(c4C[C@H]3[C@@H]3CCc4c[nH+]c(N)c6c4N3[C@H]2NC6=O)OCCO5)c1O,-4.831 +1364,CC[N@H+](C)Cc1ccc(O)c(C2=[N+]3c4ccc(C(=O)[O-])cc4-c4c(O)cc(O)c(OC)c4C[C@@H]3[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H]2NC5=O)c1O,-4.829 +175,CCCOC(=O)c1cc2cccc(C(=O)c3ccccc3)c2nc1NCc1ccc2cc3c(cc2c1)CCO3,-4.825 +1,C[NH2+]Cc1ccc(N)nc1,-4.82 +482,CC1=C2C3=C(C[NH2+]Cc4cccc(c43)C[C@@H]3[C@@H]4CCc5cnc(N)c6c(=O)nc(n4c56)[C@@H](c4cncc(-c5ccccc5)c4)N23)C1,-4.814 +284,CC(C)=C1Cc2cc(F)ccc2C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](C3=CN(Cc4ccccc4)CC3)N12,-4.813 +478,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(C[NH+]5CCCC5)c4)N4c5ccc(O)cc5-c5c(CO)cccc5C[C@H]4[C@@H](CC2)N13,-4.813 +1024,COc1ccc(O)c2c1C[C@@H]1[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(C[C@H](C)[NH3+])c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-4.807 +250,C=c1cc2n(c3c(C)ccc4cccc1c43)[C@H](c1ccn(CCC(=O)[O-])c1)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@H]2CC4,-4.795 +1225,C[NH2+]Cc1cc(F)cc2c1-c1cccc(C)c1N1C(C3=CN(C[C@@]4(C)CCCOC4)C(=O)C3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@@H]1C2,-4.794 +223,C=c1cc2n(c3c(C)c[nH+]c4c(C)ccc1c43)[C@H](c1ccn(CCC)c1)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@@H]2CC4,-4.793 +163,CCCOC(=O)c1cc2cccc(C(=O)c3ccccc3)c2nc1NCc1ccc2cc(OC)ccc2c1,-4.791 +1459,C[NH+](C)Cc1ccc(O)c(C2=[N+]3c4ccc(C(=O)[O-])cc4-c4c(O)cc5c(c4C[C@H]3[C@@H]3CCc4c[nH+]c(N)c6c4N3[C@H]2NC6=O)OCCO5)c1O,-4.79 +240,Cc1cccc2c1N1C(C3=CN(CC(C)(C)C)CC3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@H]1Cc1ccccc1-2,-4.788 +122,Cc1cc(F)c(CN2[C@H](CO)[C@H]3CCc4c[nH+]c(N)c5c4N3[C@@H]3[C@@H]2C=C(C(=O)[O-])CN3C5=O)cc1F,-4.788 +894,Nc1[nH+]cc2c3c1C(=O)N[C@H]1C(c4c(O)ccc(C(=O)[O-])c4O)=[N+]4c5ccc(C(=O)[O-])cc5-c5c(O)cc(O)c(O)c5C[C@@H]4[C@@H](CC2)N31,-4.788 +881,CC(=O)NCc1cccc2c1N1C=CCC(C)=C1N1C(C3=CN(C4CCCC4)CC3=O)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@H]1C2,-4.787 +485,CC(C)=C1Cc2c(cc(F)cc2C(=O)[O-])C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](C3=CN4C(=N[C@H]3O)OCC[C@@H]4C)N12,-4.775 +1151,NC(=O)c1cc(F)cc2c1[N-]/C(=C1/CC=C(C(=[OH+])[N-]O)C1)N1C(c3c(N)cc(F)cc3F)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@H]1C2,-4.772 +161,CCCc1cc2c(=O)[nH]c3c(c2c2c1C(=O)N=CC2)NC(=O)N[C@H]3c1ccccc1Cc1cccc(O)c1,-4.771 +342,COC(=O)CC(=O)[C@@H](C=O)C1=C2NC(=O)c3c(N)[nH+]cc4c3N2[C@H](CC4)[C@H]2Cc3ccccc3-c3c(OC)ccc(O)c3N12,-4.771 +14,Nc1[nH+]cc2c3c1C(=O)N(CC(=O)[O-])[C@@H]1C=N[C@@H](CO)[C@H](CC2)N31,-4.768 +1293,C[NH2+]Cc1cc(F)cc2c1-c1cccc(C)c1N1C(C3=CN(CC4(C)CCOCC4)C(=O)C3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@@H]1C2,-4.767 +1026,C[NH2+]Cc1cc(F)cc2c1-c1cccc(C)c1N1C(C3=CN(C[C@@H]4CCCOC4)C(=O)C3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@@H](CC5)[C@@H]1C2,-4.751 +318,C=C1C=C2[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@@H](NC5=O)[C@@H]3c4ccccc4OCCOc4c(OC(=O)[O-])cc(O)c(c4N23)C1,-4.751 +243,C=c1cc2n(c3c(C)c[nH+]c4c(C)ccc1c43)[C@H](c1ccn(CCCO)c1)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@@H]2CC4,-4.742 +407,C=c1cc2n(c3c(C)c(O)cc4c(C)ccc1c43)[C@@H](c1cnn(CCC(F)(F)F)c1)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@@H]2CC4,-4.731 +568,Nc1ncc2c3c1c(=O)nc1n3[C@H](CC2)[C@H]2Cc3cc(F)cc4cc(O)cc(c34)/C(=C\COCC(=O)[O-])N2[C@@H]1c1ccc(O)cc1O,-4.729 +1231,COc1cc(O)c2c(c1O)C[C@H]1[C@H]3CCc4cnc(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc([C@H](O)CO)c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-4.722 +182,CC(C)=C1Nc2ccccc2C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](C3=CN(CC(C)C)CC3)N12,-4.722 +53,COc1cc(O)c(F)cc1-c1c2c(c3ccccc3c1-c1ccccc1F)C(=O)NC(=O)C2,-4.721 +534,COCCOC/C=C1\c2cc(O)cc3cccc(c23)C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](c3ccc(O)cc3O)N12,-4.718 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+691,C[NH2+]Cc1cccc2c1-c1ccc(O)c(C)c1N1C(C3=CN(CC(C)(C)C)C(=O)C3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@@H]1C2,-4.693 +185,Nc1[nH+]c(N)c2c3c1CC[C@H]1[C@@H](c4cccc(F)c4F)N=C4[C@@H](N(C[C@@H](O)[C@]45CC[C@]4(CCCO4)C5)C2=O)N31,-4.693 +196,Cc1ccc2ccc3cccc4c3c2c1N1C(c2cncnc2)=C2NC(=O)c3c(N)[nH+]cc5c3N2[C@H](CC5)[C@@H]1C4,-4.692 +1363,COc1ccc(O)c2c1C[C@H]1[C@H]3CCc4cnc(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(C[C@@H]4CN=NN4)c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-4.692 +32,C[C@@H]1[C@@H](CC(=O)NCC(=O)[O-])[NH2+][C@@H]2C[C@@H](O)CN3C(=O)c4c(N)nc(N)nc4N1[C@@H]23,-4.689 +469,NC(=O)COC/C=C1\c2cccc3cc(F)cc(c23)C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](c3ccc(O)cc3O)N12,-4.689 +89,CC1=C[C@H]2[C@H]3N(C1)C(=O)c1c(N)[nH+]cc4c1N3[C@H](CC4)[C@@H](CO)N2Cc1cc(F)c(C)cc1F,-4.683 +643,Nc1[nH+]cc2c3c1C(=O)NC1=C4c5c(O)ccc6c5OC[C@H](CO6)C(=O)Oc5ccc6c(c5)N4[C@H](Cc4cc(=O)occ4-6)[C@@H](CC2)N13,-4.675 +195,CCCN1C=NCC([C@@H]2c3nc(=O)c4c(N)ncc5c4n3[C@H](CC5)[C@H]3Cc4ccc(F)cc4CC(=C(C)C)N23)=C1,-4.671 +440,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(-c5ccccc5)c4)N4c5ccccc5-c5c(CO)cccc5C[C@H]4[C@@H](CC2)N13,-4.667 +308,COC(=O)CC(=O)[C@@H](C=O)C1=C2NC(=O)c3c(N)[nH+]cc4c3N2[C@H](CC4)[C@H]2CC3=CCC=C3c3c(OC)ccc(O)c3N12,-4.665 +549,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(C5=C=CC=C5)c4)N4C5=CCc6c5c5c(cccc5c(=O)[nH]c6=O)C[C@H]4[C@H](CC2)N13,-4.665 +1547,NC(=O)c1ccc2c(c1)-c1ccc3c(c1C[C@H]1[C@@H]4CCc5c[nH+]c(N)c6c5N4[C@@H](NC6=O)C(c4c(O)ccc(Cn5ccnc5)c4O)=[N+]21)OCCO3,-4.656 +298,C=c1cc2n(c3c(C)c(OC)cc4cccc1c43)[C@H](c1cn(CCC)nc1O)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@H]2CC4,-4.653 +56,O=C/C(Cc1ccccc1)=C1/CC=C2C(=O)N(Cc3ccc(F)cc3)/C(=C\C(=O)[O-])NC2=N1,-4.646 +409,CCCc1cncc(C2=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@H]3Cc4cc(F)cc5c4C4=C(CC=C4N23)C(=O)N[C@H]5C)c1,-4.632 +1314,CC(=O)OCC1=CC/C(=C2/Nc3c(cc(F)cc3C(N)=O)C[C@@H]3[C@H]4CCc5c[nH+]c(N)c6c5N4C(=C(c4c(N)cc(F)cc4F)N23)NC6=O)C1,-4.632 +873,C[NH+](C)Cc1ccc(O)c(C2=[N+]3c4ccc(C(=O)[O-])cc4-c4ccc(F)c(O)c4C[C@H]3[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H]2NC5=O)c1O,-4.623 +280,COC(=O)CCCC1=Cc2ccccc2C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](c3cc(C)ccc3O)N12,-4.623 +1415,COc1ccc(O)c2c1C[C@@H]1[C@@H]3CCc4c[nH+]c(N)c5c4N3C(=C3c4c(O)ccc(c4O)C[N@@H+](C)CCCNC(=O)c4ccc(c-2c4)N31)NC5=O,-4.613 +899,NC(=O)c1cc(F)cc2c1-c1ccccc1N1C(c3cncc(C[NH+]4CCCCC4)c3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@@H]1C2,-4.608 +386,C/C=C/N1C=C([C@@H]2c3nc(=O)c4c(N)ncc5c4n3[C@H](CC5)[C@H]3Cc4cc(F)cc(C(=O)[O-])c4CC(=C(C)C)N23)CNC1=O,-4.608 +201,C=C1C=C2[C@H]3CCc4c[nH+]c(N)c5c4N3[C@@H](NC5=O)[C@@H]([C@@H](C(=O)[O-])C(=O)CCCC)N2c2cc(OC)ccc2C1,-4.608 +1440,COc1ccc(O)c2c1C[C@@H]1[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(Cc4cnn[nH]4)c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-4.603 +574,C[NH2+]Cc1cccc2c1-c1ccccc1N1C(c3cncc(C[N@@H+]4CCCOC4)c3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@H](CC5)[C@@H]1C2,-4.598 +104,COc1ccc(F)cc1-c1c2c(c3cc(O)ccc3c1-c1c(F)cccc1OC)C(=O)NC(=O)C2,-4.593 +570,C=c1cc2n(c3c(C)c(=O)[nH]c4cccc1c43)[C@H](C1=C(O)C[N+](Cc3cccc(C)c3)=C1)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@@H]2CC4,-4.592 +1060,NC(=O)c1cc(F)cc2c1-c1cc(O)ccc1N1C(c3cncc(CN4CCNC4=O)c3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@@H](CC5)[C@H]1C2,-4.588 +442,CC(C)=C1Cc2c(cc(F)cc2C(=O)[O-])C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](C3=CN(CC(C)C)C=N[C@H]3O)N12,-4.579 +1033,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(CN5C[C@@H](O)CC5=O)c4)N4c5ccc(O)cc5-c5c(cccc5C(=O)[O-])C[C@@H]4[C@H](CC2)N13,-4.574 +1370,NC(=O)c1cccc2c1-c1cc(O)ccc1N1C(c3cncc(Cn4cnc5ccccc54)c3)=C3NC(=O)c4c(N)[nH+]cc5c4N3[C@@H](CC5)[C@H]1C2,-4.572 +1210,Nc1[nH+]cc2c3c1C(=O)N[C@H]1C(c4c(O)ccc(C[C@@H]5CNN=N5)c4O)=[N+]4c5ccc(C(=O)[O-])cc5-c5ccc(F)c([O-])c5C[C@H]4[C@@H](CC2)N31,-4.571 +1788,Nc1[nH+]cc2c3c1C(=O)N[C@@H]1C(c4c(O)ccc(Cc5cc(=O)ccn5[O-])c4O)=[N+]4c5ccc(C(=O)[O-])cc5-c5c(O)ccc(O)c5C[C@@H]4[C@@H](CC2)N31,-4.564 +1643,COc1ccc(O)c2c1C[C@@H]1[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(Cc4cnnn4[O-])c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-4.562 +579,CC(C)=C1Cc2c(cc(F)cc2C(=O)[O-])C[C@@H]2[C@H]3CCc4cnc(N)c5c(=O)nc(n3c45)[C@@H](C3=CN(c4ccccc4)C(=O)NC3)N12,-4.562 +60,NC([O-])=Cc1nc2c(c(=O)n1Cc1ccccc1)=CC/C(=C(\Cc1ccccc1)C(=O)[O-])[NH+]=2,-4.559 +1017,NC(=O)c1cc(F)cc2c1-c1cc(O)c3cc1N1C(=C4NC(=O)c5c(N)[nH+]cc6c5N4[C@@H](CC6)[C@@H]1C2)c1cncc(c1)C[N@@H+]1CC[C@@H](C1)O3,-4.553 +1254,COc1cc(O)c2c(c1O)C[C@H]1[C@H]3CCc4c[nH+]c(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(C[C@H](N)O)c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-4.552 +385,C=c1cc2n(c3c(C)ccc4c(C(N)=O)ccc1c43)[C@@H](c1ccn(CCCO)c1)[C@@H]1NC(=O)c3c(N)[nH+]cc4c3N1[C@@H]2CC4,-4.551 +408,Nc1[nH+]cc2c3c1C(=O)NC1=C(c4cncc(C5=CN=CC5)c4)N4c5ccccc5-c5c(cccc5C(O)O)C[C@H]4[C@@H](CC2)N13,-4.551 +1473,COc1ccc(O)c2c1C[C@@H]1[C@@H]3CCc4c[nH+]c(N)c5c4N3[C@H](NC5=O)C(c3c(O)ccc(Cc4c[nH+]c[nH]4)c3O)=[N+]1c1ccc(C(=O)[O-])cc1-2,-4.548 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+452,C[C@@H]1C=C([N-]c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C(=O)c2sccc21,-3.265 +449,NC(=S)Oc1ccc(N2C(=O)NCC(=O)c3ccccc3C2=O)cc1,-3.054 diff --git a/paper_results/evaluate.py b/paper_results/evaluate.py new file mode 100644 index 0000000..1830943 --- /dev/null +++ b/paper_results/evaluate.py @@ -0,0 +1,235 @@ +import json +import pandas as pd +import numpy as np +from rdkit import Chem +from rdkit.Chem import QED, AllChem +from rdkit.Chem import Descriptors +from rdkit.Chem import RDConfig +import os +import sys +sys.path.append(os.path.join(RDConfig.RDContribDir, 'SA_Score')) +import sascorer +from fcd_torch import FCD # You'll need to install fcd_torch +sys.path.append(os.path.dirname(os.path.dirname(__file__))) # Add parent directory to path +from utils import (fraction_valid, fraction_unique, novelty, + internal_diversity,obey_lipinski, obey_veber, load_pains_filters, + is_pains, FragMetric, ScafMetric) +import torch + +class MoleculeEvaluator: + def __init__(self, gen_smiles, ref_smiles_1, ref_smiles_2=None, n_jobs=8): + """ + Initialize evaluator with generated and reference SMILES + ref_smiles_2 is optional + """ + self.gen_smiles = gen_smiles + self.ref_smiles_1 = ref_smiles_1 + self.ref_smiles_2 = ref_smiles_2 + self.n_jobs = n_jobs + + # Convert SMILES to RDKit molecules and filter out invalid ones + self.gen_mols = [mol for s in gen_smiles if s and (mol := Chem.MolFromSmiles(s)) is not None] + self.ref_mols_1 = [mol for s in ref_smiles_1 if s and (mol := Chem.MolFromSmiles(s)) is not None] + self.ref_mols_2 = [mol for s in ref_smiles_2 if s and (mol := Chem.MolFromSmiles(s)) is not None] if ref_smiles_2 else None + + # Initialize metrics that need setup + self.fcd = FCD(device='cuda' if torch.cuda.is_available() else 'cpu') + self.pains_catalog = load_pains_filters() + self.frag_metric = FragMetric(n_jobs=1) + self.scaf_metric = ScafMetric(n_jobs=1) + + def calculate_basic_metrics(self): + """Calculate validity, uniqueness, novelty, and internal diversity""" + # Generate Morgan fingerprints for internal diversity calculation + fps = np.array([AllChem.GetMorganFingerprintAsBitVect(mol, 2, 1024) for mol in self.gen_mols if mol is not None]) + + results = { + 'uniqueness': fraction_unique(self.gen_smiles, n_jobs=self.n_jobs), + 'novelty_ref1': novelty(self.gen_smiles, self.ref_smiles_1, n_jobs=self.n_jobs), + 'internal_diversity': internal_diversity(fps) # Pass fingerprints instead of molecules + } + if self.ref_smiles_2: + results['novelty_ref2'] = novelty(self.gen_smiles, self.ref_smiles_2, n_jobs=self.n_jobs) + return results + + def calculate_property_metrics(self): + """Calculate QED and SA scores""" + qed_scores = [QED.qed(mol) for mol in self.gen_mols if mol is not None] + sa_scores = [sascorer.calculateScore(mol) for mol in self.gen_mols if mol is not None] + + return { + 'qed_mean': np.mean(qed_scores), + 'qed_std': np.std(qed_scores), + 'sa_mean': np.mean(sa_scores), + 'sa_std': np.std(sa_scores) + } + + def calculate_fcd(self): + """Calculate FCD score against both reference sets""" + # Filter out None values and convert mols back to SMILES + gen_valid_smiles = [Chem.MolToSmiles(mol) for mol in self.gen_mols if mol is not None] + ref1_valid_smiles = [Chem.MolToSmiles(mol) for mol in self.ref_mols_1 if mol is not None] + + results = { + 'fcd_ref1': self.fcd(gen_valid_smiles, ref1_valid_smiles) + } + + if self.ref_mols_2: + ref2_valid_smiles = [Chem.MolToSmiles(mol) for mol in self.ref_mols_2 if mol is not None] + results['fcd_ref2'] = self.fcd(gen_valid_smiles, ref2_valid_smiles) + + return results + + def calculate_similarity_metrics(self): + """Calculate fragment and scaffold similarity""" + + results = { + 'frag_sim_ref1': self.frag_metric(gen=self.gen_mols, ref=self.ref_mols_1), + 'scaf_sim_ref1': self.scaf_metric(gen=self.gen_mols, ref=self.ref_mols_1) + } + if self.ref_mols_2: + results.update({ + 'frag_sim_ref2': self.frag_metric(gen=self.gen_mols, ref=self.ref_mols_2), + 'scaf_sim_ref2': self.scaf_metric(gen=self.gen_mols, ref=self.ref_mols_2) + }) + return results + + def calculate_drug_likeness(self): + """Calculate Lipinski, Veber and PAINS filtering results""" + lipinski_scores = [obey_lipinski(mol) for mol in self.gen_mols if mol is not None] + veber_scores = [obey_veber(mol) for mol in self.gen_mols if mol is not None] + pains_results = [not is_pains(mol, self.pains_catalog) for mol in self.gen_mols if mol is not None] + + return { + 'lipinski_mean': np.mean(lipinski_scores), + 'lipinski_std': np.std(lipinski_scores), + 'veber_mean': np.mean(veber_scores), + 'veber_std': np.std(veber_scores), + 'pains_pass_rate': np.mean(pains_results) + } + + def evaluate_all(self): + """Run all evaluations and combine results""" + results = {} + + print("\nCalculating basic metrics...") + basic_metrics = self.calculate_basic_metrics() + print("Basic metrics:", {k: f"{v:.3f}" if isinstance(v, float) else v for k, v in basic_metrics.items()}) + results.update(basic_metrics) + + print("\nCalculating property metrics...") + property_metrics = self.calculate_property_metrics() + print("Property metrics:", {k: f"{v:.3f}" if isinstance(v, float) else v for k, v in property_metrics.items()}) + results.update(property_metrics) + + print("\nCalculating FCD scores...") + fcd_metrics = self.calculate_fcd() + print("FCD metrics:", {k: f"{v:.3f}" if isinstance(v, float) else v for k, v in fcd_metrics.items()}) + results.update(fcd_metrics) + + print("\nCalculating similarity metrics...") + similarity_metrics = self.calculate_similarity_metrics() + print("Similarity metrics:", {k: f"{v:.3f}" if isinstance(v, float) else v for k, v in similarity_metrics.items()}) + results.update(similarity_metrics) + + print("\nCalculating drug-likeness metrics...") + drug_likeness = self.calculate_drug_likeness() + print("Drug-likeness metrics:", {k: f"{v:.3f}" if isinstance(v, float) else v for k, v in drug_likeness.items()}) + results.update(drug_likeness) + + return results + +def evaluate_molecules_from_files(gen_path, ref_path_1, ref_path_2=None, smiles_col='SMILES', output_prefix="results", n_jobs=8): + """ + Main function to evaluate generated molecules against reference sets, reading from CSV files + + Args: + gen_path (str): Path to CSV file containing generated SMILES + ref_path_1 (str): Path to CSV file containing first reference set SMILES + ref_path_2 (str, optional): Path to CSV file containing second reference set SMILES + smiles_col (str): Name of column containing SMILES strings + output_prefix (str): Prefix for output files + n_jobs (int): Number of parallel jobs + """ + # Read SMILES from CSV files + try: + gen_df = pd.read_csv(gen_path) + ref_df_1 = pd.read_csv(ref_path_1) + ref_df_2 = pd.read_csv(ref_path_2) if ref_path_2 else None + except FileNotFoundError as e: + raise FileNotFoundError(f"Could not find one of the input CSV files: {e}") + except pd.errors.EmptyDataError: + raise ValueError("One of the input CSV files is empty") + + # Check if SMILES column exists + for df, name in [(gen_df, 'generated'), (ref_df_1, 'reference 1')] + ([(ref_df_2, 'reference 2')] if ref_df_2 is not None else []): + if smiles_col not in df.columns: + raise ValueError(f"SMILES column '{smiles_col}' not found in {name} dataset") + + # Extract SMILES lists + gen_smiles = gen_df[smiles_col].dropna().tolist() + ref_smiles_1 = ref_df_1[smiles_col].dropna().tolist() + ref_smiles_2 = ref_df_2[smiles_col].dropna().tolist() if ref_df_2 is not None else None + + # Validate that we have SMILES to process + if not gen_smiles: + raise ValueError("No valid SMILES found in generated set") + if not ref_smiles_1 and not ref_smiles_2: + raise ValueError("No valid SMILES found in one or both reference sets") + + print(f"\nProcessing datasets:") + print(f"Generated molecules: {len(gen_smiles)}") + print(f"Reference set 1: {len(ref_smiles_1)}") + if ref_smiles_2: + print(f"Reference set 2: {len(ref_smiles_2)}") + + # Run evaluation + evaluator = MoleculeEvaluator(gen_smiles, ref_smiles_1, ref_smiles_2, n_jobs=n_jobs) + results = evaluator.evaluate_all() + + print("\nSaving results...") + # Add dataset sizes to results + results.update({ + 'n_generated': len(gen_smiles), + 'n_reference_1': len(ref_smiles_1), + 'n_reference_2': len(ref_smiles_2) if ref_smiles_2 is not None else 0 + }) + + # Save results + # Format float values to 3 decimal places for JSON + formatted_results = {k: round(v, 3) if isinstance(v, float) else v for k, v in results.items()} + with open(f"{output_prefix}.json", 'w') as f: + json.dump(formatted_results, f, indent=4) + + # Create DataFrame with formatted results + df = pd.DataFrame([formatted_results]) + df.to_csv(f"{output_prefix}.csv", index=False) + + return results + +if __name__ == "__main__": + import argparse + + parser = argparse.ArgumentParser(description='Evaluate generated molecules against reference sets') + parser.add_argument('--gen', required=True, help='Path to CSV file with generated SMILES') + parser.add_argument('--ref1', required=True, help='Path to CSV file with first reference set SMILES') + parser.add_argument('--ref2', help='Path to CSV file with second reference set SMILES (optional)') + parser.add_argument('--smiles-col', default='SMILES', help='Name of SMILES column in CSV files') + parser.add_argument('--output', default='results', help='Prefix for output files') + parser.add_argument('--n-jobs', type=int, default=8, help='Number of parallel jobs') + + args = parser.parse_args() + + try: + results = evaluate_molecules_from_files( + args.gen, + args.ref1, + args.ref2, + smiles_col=args.smiles_col, + output_prefix=args.output, + n_jobs=args.n_jobs + ) + print(f"Evaluation complete. Results saved to {args.output}.json and {args.output}.csv") + + except Exception as e: + print(f"Error during evaluation: {str(e)}") diff --git a/paper_results/generated_molecules/DrugGEN-NoTarget_generated_molecules.csv b/paper_results/generated_molecules/DrugGEN-NoTarget_generated_molecules.csv new file mode 100644 index 0000000..7d9832d --- /dev/null +++ b/paper_results/generated_molecules/DrugGEN-NoTarget_generated_molecules.csv @@ -0,0 +1,10001 @@ +SMILES +OC1Nc2c(COCCCc3ccccc3)ccnc2N(C2CC2)c2ncccc21 +ON(O)c1cc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc(N(O)O)c1 +CCOc1ccccc1NC(O)C(O)CC(O)c1ccc(OC)cc1 +OC(COC(O)c1ccc(Cl)nc1)NCc1ccc2c(c1)OCO2 +CC(C)(CC(O)NC1CCCC1)NCC(O)N1CC(F)CC1C#N +Cc1ccc(CC(C#N)C(O)Nc2cccc(Cl)c2)o1 +CC(C)(C)OC(O)CCn1cnc(-c2cccc(Cl)c2)n1 +Nc1nnc(COc2cccc(C(F)(F)F)c2)s1 +Oc1nc2c(-c3ccc(Cl)cc3)cnc2c(O)n1CCN1CCN(c2ccccc2Cl)CC1 +COc1ccc(OC)c(CC(SCc2ccc(Cl)c(Cl)c2)C(O)c2ccc(Cl)cc2)c1 +NC(O)c1cccc2c3c(nc12)CCCC3 +CCN(CC)C(O)c1cccc(-c2ccc3c(c2)C2C(CCCCC(N)N)C(O)N(C(O)OC)C2C3)c1 +CNC(O)C12CC1C(n1cnc3c(NC4CC4)cc(C#Cc4ccc(Cl)s4)nc31)C(O)C2O +c1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)N2)cc1 +Cc1ncc(N(O)O)n1CCN1CCN(c2ccccc2)CC1 +CN(C)C(O)c1cccc(-c2cccc(-c3nc(C(O)NCc4ccccc4)cc4c3C(CCO)N([SH](O)C(C)(C)C)C4)c2)c1 +NC(N)SCc1c(F)ccc2c1oc1c(CSC(N)N)c(F)ccc12 +COc1ccc(NC(O)CN2CCN(S(O)(O)c3ccc(F)cc3)CC2)cc1Cl +CCN1CCC(c2ccccc2)C(C(O)OCCCc2ccc(OC)cc2)C1 +CCn1c(O)nc2nc(-c3ccc(S(O)(O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)nc2c1O +NS(O)(O)c1ccc(CCN2C(O)c3ccccc3C2O)cc1 +NC(N)NCCCC(O)NCc1ccc(S(N)(O)O)cc1 +CCC(O)Nc1ccc(C(O)O)nc1 +OC(c1cccc2ncnc12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1 +COCC(O)C1CCn2c1nc1c2C(O)C(C)C(NC(C)O)C1O +OC(O)c1cc2cc(C(O)c3cccs3)c(Cl)c(Cl)c2o1 +COc1cc(CCC(O)NCc2c(C)nc3ccccc23)cc(OC)c1OC +Cc1cc(OCC2CN(C)c3ccccc3O2)cc(C)c1C(O)Nc1cc(CC(O)O)ccc1Cl +Cc1ccccc1C(O)Nc1cccc2c1C(O)c1ccccc1-2 +OC1CNC(O)c2ncnc2N1 +CC1CC(C)C(c2c(O)ccnc2O)C(C)C(C)(O)C1 +Cc1ccc(NC(O)CCCN2C(O)c3ccccc3C2O)cc1 +CCOC(O)c1c(N2CCOCC2)nc2ccc(O)cc12 +CN(C)C(O)CCc1ccccc1 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+MOL_02_002776,CC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)[N@@H+]1CC[C@@H](c2ccccc2)C1,0.278 +MOL_02_009118,Cc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)[C@@H]2CCC[NH2+]C2)cc1C,0.278 +MOL_02_004360,COc1cc(C[N@@H+](CCc2ccccn2)[C@H](O)CC[C@H](C)c2ccccc2)ccc1OCc1ccccc1,0.278 +MOL_02_006081,CN(C)c1ccc(CCc2ccc3cc(Cl)ccc3n2)cc1,0.278 +MOL_02_003793,CCCCc1[nH+]cc(-c2ccccc2C(O)O)n1Cc1ccccc1C,0.278 +MOL_02_001286,C[N@@H+]1[C@@H]2CC[C@@H]([C@H]([NH3+])O)[C@H]1CC2,0.278 +MOL_02_003925,[O-][NH2+][C@H](O)CCCCCC[C@H](O)N(Cc1ccccc1)[C@H](Cc1ccc(-c2ccccc2)cc1)[C@H](O)[NH2+]CCc1ccccc1,0.278 +MOL_02_008328,Cc1ccc2c(c1)C[C@@H](Cn1cc[nH+]c1)[C@H]2OCc1c(C)ccc2c1OCO2,0.278 +MOL_02_000992,Cc1cccc([C@@H]2C[C@H]2N[C@H](O)CC(C)(C)[NH2+]C[C@H](O)N2C[C@@H](Cl)C[C@H]2C[NH3+])c1,0.278 +MOL_02_002469,Cc1ccc2nc(N[C@H](O)Cc3ccc(Cl)cc3)n3nc(-c4ccco4)nc3c2c1,0.278 +MOL_02_008192,CCOc1ccc2cc(-c3nn([C@@H]4CCOC4)c(N)c3[C@H]([NH3+])O)cnc2c1,0.278 +MOL_02_002613,Cc1ccc(Nc2nc(CC(C)C)cc(=O)[nH]2)c(O)c1C(O)(O)C(C)C,0.278 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+MOL_02_030032,[NH3+]Cc1cccc(-c2cc(-n3c4c(c5cc(C[NH3+])ccc53)CCCC4)nc(-n3c4ccccc4c4cccnc43)c2)c1,0.278 +MOL_02_009396,C[NH+](C)CCn1cc(-c2ccc(Cl)c(C(Cl)(Cl)Cl)c2)[nH+]c1C1CCN(c2ncnc(N)c2-c2ccc(C(C)(C)O)cc2)CC1,0.278 +MOL_01_031675,[NH3+]C[C@H](N[C@H](O)CCCCc1cccnc1)c1ccc(F)cc1F,0.278 +MOL_02_007290,COc1nn(Cc2ccccn2)c2ccc(N(O)O)cc12,0.278 +MOL_02_004332,C[C@@H]1CN([C@H](C)CO)C(O)(O)c2ccc(CCc3ccccc3)cc2O[C@H]1C[N@H+](C)[C@H](O)C1CC1,0.278 +MOL_01_027235,N[C@@]1([NH3+])N[C@]1(c1ccc(F)cc1)[C@H]([NH3+])[C@H]1C[C@@H](c2cccnc2)C1,0.278 +MOL_02_009583,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(Cl)c2)[nH]1,0.278 +MOL_02_002817,Cc1ccc([C@@H]2CC[C@H]3C[C@@](O[C@H](C)O)(C(C)(C)C)CC[N@@H+]3C2)c(C)c1,0.278 +MOL_02_002378,CCCC[NH2+][C@H](C)Nc1cccc([C@H](C)O)c1,0.278 +MOL_02_009274,CC(O)(O)c1cccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4[C@H](N)O)CC3)[nH+]2)c1,0.278 +MOL_02_001548,COc1cc(C[C@H](C)O)c(OC)cc1Cl,0.278 +MOL_02_008429,Cc1cccc([C@@H]2C[C@@H](O)Nc3cc4c(cc32)OCO4)c1,0.278 +MOL_02_006569,C[N@@H+](C[C@H](O)Nc1ccc(Cl)cc1)[C@H]([O-])CO[C@H](O)C1CCN(c2ccc(C(Cl)(Cl)Cl)cn2)CC1,0.278 +MOL_02_001324,CO[C@H](O)c1ccc(N(C)[C@H](O)c2cnc3c(n2)C(C)(C)CC3(C)C)cc1,0.278 +MOL_02_002773,CC(C)(C)c1ccc2oc(N(N)CCC[NH3+])nc2c1,0.278 +MOL_02_000990,C[NH+](C)[C@H](O)c1ccccc1N[C@H](O)Cc1cccc2ccccc12,0.278 +MOL_02_006835,CCc1[nH+]c2ccc([C@H](O)Nc3cccc(OC)c3)cn2c1N(CCC(C)C)CC[NH+](C)C,0.278 +MOL_02_007681,[NH3+]CC(C[NH3+])[C@@H]1[C@@H](C[NH3+])[C@@H]([NH3+])NC12OCCO2,0.278 +MOL_02_005926,CC(C)c1nn(-c2ccc([C@H]([NH3+])O)c(NCC[NH+]3CCCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12,0.278 +MOL_02_000361,Cc1ccn2c(C[NH2+]CCn3nc(C)cc3C)c([C@H]([O-])[NH+]3CCCCCC3)nc2c1,0.278 +MOL_02_002165,Nc1nc(Nc2ccccc2)[nH+]c(NCCO)c1N(O)O,0.278 +MOL_02_003239,Cc1cccc(CNc2ncnc3ccc(-c4ccc5c(ccn5C)c4)cc23)c1,0.278 +MOL_02_008264,COc1cc2nc(N3CC[N@H+]([C@H]([O-])c4ccco4)[C@@H]([C@H](O)[NH2+]C(C)(C)C)C3)nc(N)c2cc1OC,0.278 +MOL_02_009648,Cc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(C(Cl)(Cl)Cl)c(Cl)c3)cn2CC[NH+]2CCCC2)CC1,0.278 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+MOL_02_009603,CNc(cc1)ccc1C(O)Nc(cc2)ccc2-c(nn3)n4c(cccn5)c5Nc(c6c34)cccc6 diff --git a/paper_results/generated_molecules/Selected_denovo_AKT1_inhibitors.csv b/paper_results/generated_molecules/Selected_denovo_AKT1_inhibitors.csv new file mode 100644 index 0000000..ca5ec60 --- /dev/null +++ b/paper_results/generated_molecules/Selected_denovo_AKT1_inhibitors.csv @@ -0,0 +1,31 @@ +DrugGEN_MOL_ID,SMILES +MOL_01_019368,[NH3+]Cc1ccc(c(C[NH3+])c1C[NH3+])-c2cc(Nc3ccccc3)nn2-c4ccc(F)cc4 +MOL_02_009549,Cc1ccc([C@@H]2C[C@@H](CC[NH+]3CCC(O)CC3)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C +MOL_01_029206,[NH3+]Cc1ccc(Cl)cc1NC(=O)c2cccc(c2)-n3ccnc3 +MOL_01_010651,c1ccccc1C[NH2+][C@H](CC[NH3+])CCc2cccc(c23)cncc3 +MOL_01_024595,Clc1ccc(cc1)[C@H](CC([NH3+])(N)N)c2ccc(cc2)-c3ccncc3 +MOL_02_009377,COc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1Cl +MOL_02_009702,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccccc2OCC[NH+]2CCCCC2)[nH]1 +MOL_02_009416,[NH3+]Cc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1Cl +MOL_02_009815,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH2+]CC4CC4)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21 +MOL_01_000904,CCc1ccc(NC)c(c1)CN[C@H](O)[C@H]([NH2+]C)n(c2=O)cc(F)c(c23)[nH]c4c3cccc4 +MOL_01_031718,Clc1ccccc1CC[C@@](C)(C[NH3+])N[C@H]([NH3+])c2cccc(c2)CC(F)(F)F +MOL_01_026927,CCCc1ccc([C@H]([NH3+])Nc2ccc(OC)nc2[C@H]([NH3+])NCC2CCOCC2)c2ccccc12 +MOL_01_027820,Nc1ccc(n12)[nH]c(cc2=O)CC[C@H](O)CC[C@H](O)c3ccc(F)cc3 +MOL_02_009932,CC(O)(O)c1cccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4C[NH3+])CC3)n2)c1 +MOL_01_019999,CCC[C@H]([NH3+])c1cnn(-c2ccc(Cl)cc2)c1N[C@H]([NH3+])c(c(N)c3)cc(c34)cc(C)cc4 +MOL_01_028998,[NH3+]Cc1[nH]cc(c(=O)c1C[NH3+])[C@H](O)c2ccccc2Cl +MOL_02_009907,CCCC[NH2+]CCn1cc(-c2ccnc(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2Cl)CC1 +MOL_01_002043,[NH2+]1CC[NH2+]C1[C@H](O)N([C@H]2C[NH2+]C[NH2+]2)Cc(c(F)n3)cc(c34)cc(F)nc4F +MOL_01_026467,O=C1C=CC(C)=C(C1=2)c3c(C2C)cc(C[NH3+])c(c3)C[NH3+] +MOL_02_034109,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](CC[NH2+]C4CCOCC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21 +MOL_01_040534,O=C1N=C(N)S[C@@H]1c2cnc(OC)c(c2)[C@H]([NH3+])NCc3ccc(C(F)(F)F)cc3 +MOL_01_014798,[NH3+]Cc1c(Cl)cc(Cl)cc1[C@H]([NH3+])Nc2cccc(c23)cccn3 +MOL_01_027648,Cc(c1)ccc(c12)c(C[C@H](N)[C@H]([NH3+])N)nc3c2c(N)ncc3 +MOL_01_015142,c1cccc(c12)[C@@H]([NH3+])[C@@H]([C@H]2[NH3+])c3cc(F)cc(c3)Cc4cccnc4 +MOL_01_007514,Fc1cc(F)c(F)cc1C[C@H]([NH3+])C[C@H]([NH3+])N(C2)CCn(c23)cnc3-c4ccccn4 +MOL_02_045597,COc1ccc2nccc(CC[N@H+]3C[C@H](C[NH2+]Cc4ccc5c(n4)N[C@@H](O)CC5)[C@H](O)C3)c2n1 +MOL_02_000496,CN(C)c1cccc(C[NH2+]C[C@H](O)[C@H](Cc2cc(Cl)cc(Cl)c2)[NH2+][C@H]([O-])[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]([O-])[NH2+]2)c1 +MOL_02_008350,CCC[C@H](O)[NH2+][C@@H]1Cn2c(c(-c3ccc(O)cc3)c3c(N)ncnc32)[C@H]1C +MOL_02_045598,N[C@@H]([NH3+])NCCC[C@H]([NH2+][C@H](O)CCc1ccccc1)[C@H](O)N[C@H](Cc1ccccc1)[C@H]([NH3+])O +MOL_02_000546,CN1c2ccccc2[C@@H](c2ccccc2)N[C@@H]([NH2+][C@H](O)Nc2ccc(C(O)O)cc2)[C@H]1O diff --git a/results/deepscreen/Predicted_IDS_83_confident_305.csv b/results/deepscreen/Predicted_IDS_83_confident_305.csv deleted file mode 100644 index bfe2add..0000000 --- a/results/deepscreen/Predicted_IDS_83_confident_305.csv +++ /dev/null @@ -1,306 +0,0 @@ -Smiles -CC(C)(C)c1cccc(c12)N(C(C)C2)C(O)Cc3nc(cc(n3)O)N4CCOCC4 -NC(N)(N)c1cc(Cl)c(nc1)CC(=O)CCc2cccnc2 -C1CCCCN1C(=N2)CC(C2=O)CC(=O)Nc(cc3)ccc3C(=O)N(C)Cc4c(F)cccc4Cl -c1cc(F)ccc1C(=N2)c(cc(C)cc3)c3Cc(c24)ncnc4N -c1cc(N)ccc1/C=C2/C(=O)N(CCO)C(\C2)=N\c3ccccc3 -CC(=N)C1C(C1)C(=N)c2c(CN)cc(cn2)N(CC3CC3)c4ccc(C)c(c45)nccc5 -Clc1cccc(CCC(F)F)c1C(C)c2nc(CN)cc(n2)CN -c1cccc(c12)N(CCC2)C(O)CNc3nc(CCC)nc(c34)n(C)c(=O)n(C)c4=O -CC1CCN(CC1)c(nccn2)c2Cc3ccc(cc3)Nc4ccccn4 -c1ccc(OC)c(OC)c1CN(C(=N)N2)C(=N)C2(C)C3CCN(CC3)Cc4cc(O)ccc4 -Nc1c(F)cc(cc1)NC(=O)CN(CF)CC(O)NC(F)(F)F -c1cc(F)c(Cl)cc1C(=N)CC(C(O)C(O2)(C)C)c(c3)c2cc(c34)CCCC4=N 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-Cc1ccc(N2C(O)C3N=NNC3C2O)cc1 -NC1c2ccccc2N(C(N)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1N -CC(C)NC1CC(C)C(C)CC(C)C(NC(C)C)CC(C)C(NC(C)C)CC(C)C(Nc2nnnnn2)CC1C -CCC1CC(NCC2CC2)CC1C1=NC=c2cnc3c(c21)C=CN=3 -CC(=O)c1cn(C2CC2)c2c(CN)c(N3CC4CCCNC4C3)c(F)cc2c1=O -N#Cc1cnn2c(NC3CC3)ccnc12 -CC(O)NCC1C=C2C=CN=C2C(NC(C)O)C(NC(C)O)C1NC(C)O -Cc1cc(-c2ccncc2)nc2c(Cc3cccc(Cl)c3Cl)c(CN)nn12 -CCOC(=O)C1CCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1 -Cc1nc(OCNCc2ccc(Br)cc2)nc(C)c1C(C)C -CCc1nnc(C2C(C(C)c3nnnnn3)=C(C)C(C)N2CCCN2CCCCC2)nn1 -CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCn2ncnn2)CC1 -CCCSCCOc1nnc(C(CC)N(C)C)n1CCN1CCCCC1 -O=C(c1ccc2cc(Oc3ccc(F)cn3)ccc2n1)N1CCNCC1 -CC(CN1CCN(C)CC1)c1ccccc1 -COCCCc1nc(-c2ccc(F)c(F)c2)n(-c2ccc(NC(=N)CF)cc2)n1 -CNC(=O)CNC(=O)CNC(=O)c1cccc(Cl)c1 diff --git a/results/docking/Molecules_th9_docking.smi b/results/docking/Molecules_th9_docking.smi deleted file mode 100644 index 5357bf6..0000000 --- a/results/docking/Molecules_th9_docking.smi +++ /dev/null @@ -1,118 +0,0 @@ -C[C@H]([NH3+])Cc1ccc(C[C@H](C)[NH3+])c2cc(CCCn3cnc4ncccc43)ccc12 -[NH3+]Cc1ccc(-c2ccc3n2CCN3)cc1C[NH3+] -C[C@H](NC(=[NH2+])c1ccc(-c2ccncc2F)cc1C[NH3+])c1cccc(C[NH3+])c1 -CC1=C2C(=C(C)c3cc(C[NH3+])c(C[NH3+])cc32)C(=O)C=C1 -N[C@@]1([NH3+])C[C@]1(c1ccc(F)cc1)[C@H]([NH3+])CCCCc1cccnc1 -Nc1ccc2[nH]c(CC[C@H](O)CC[C@H](O)c3ccc(F)cc3)cc(=O)n12 -NC(N)([NH3+])C[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 -CCc1ccc(Cc2cc(C[NH3+])c(C[NH3+])c(C[NH3+])c2)c2c(C)ncnc12 -Cc1nc(CCC2=[NH+]N2C2=C(N)N(C)[C@H](c3ccncc3)C2=O)nc(C)c1C -[NH3+]C[C@@H](c1ccc(Cl)cc1)[C@H]([NH3+])Nc1ccc2cnccc2c1 -CCc1cc([C@H]([NH3+])N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(C[NH3+])c(C[NH3+])c1 -CN(Cc1ccc2c(c1)c(=O)c(C(=O)CCCC[NH3+])cn2C)C1N[NH2+]N[NH2+]N1 -[NH3+]CCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCC1=CN=C2C=CC=C12 -Cc1cccc(C[C@H](Nc2ccccc2)C(=[NH2+])N[C@H](C[NH3+])COCc2cccc(O)c2)c1 -CCC(=[NH2+])N1CCc2cc(C[NH2+]CCC(=[NH2+])N[C@@H]3CCCc4ccccc43)ccc21 -CCn1c2ccccc2c2cc([C@H](N)[C@H]([NH3+])Nc3ccc(C[NH3+])c(C[NH3+])c3)ccc21 -Nc1nccc(-c2ccc(CCc3ccccc3C(F)(F)F)c(C[NH3+])c2)n1 -NC(=[NH2+])c1cccc(-c2cccc(CC(=[NH2+])NCc3ccc4ccccc4c3)c2)c1 -COc1ncc([C@H]2SC(N)=NC2=O)cc1[C@H]([NH3+])NCc1ccc(C(F)(F)F)cc1 -NC1=[N+]([C@H]2CCC[N@@H+](CCCCc3ccc(C(F)(F)F)cc3)C2)CCc2cc(C[NH3+])c(C[NH3+])cc21 -Fc1cncc2c1C[C@@H](C[C@H]1C[NH2+]C[NH2+]1)CN2 -C[C@@](C[NH3+])(CCc1ccccc1Cl)N[C@H]([NH3+])c1cccc(CC(F)(F)F)c1 -CNc1cc(CCl)c(NCO)cc1[C@](O)(Cl)[C@@H]1C[NH2+]C[NH2+]1 -CC(C)[C@H]([NH3+])[C@H](O)Nc1cc2cc[nH]c(=O)c2cc1Cl -[NH3+]Cc1cccc(-c2cc(NCCc3cccnc3)nc(C[NH3+])n2)c1 -O[C@@H](N[C@@]12C[C@H]3N[C@@H](C1)[NH2+][C@@H](C2)N3)[NH2+]CNc1cc(F)nc(F)c1F -CNc1cccc(CCc2ccc([C@@H]3[C@@H](C[NH3+])N(C(=[NH2+])C4CCCCC4)[C@H]3C[NH3+])cc2)c1 -Nc1nn(CC(=O)Cc2cc(Cl)c(C[NH3+])cc2C[NH3+])c(=O)c2cccn12 -C[NH2+][C@H](O)Cc1cccc(C[N@H+](C)CCCCc2ccc3ccc(O)cc3c2)c1 -C[NH+](C)[C@@H](CCNc1ncnc2c1C=N2)C(=O)Nc1cccc(NS(C)(=O)=O)c1 -NC1=[NH+]CCN(Cc2ccccc2C(F)(F)F)[C@H]1CC(=[NH2+])NC1CCCCC1 -Cc1cc(Nc2cccnc2C)cc(CN([NH3+])Nc2cccc(Cl)c2)[nH+]1 -[NH3+]Cc1ccc(Cl)cc1NC(=O)c1cccc(-n2ccnc2)c1 -O=C(NF)[C@H](CC(F)F)N[C@H](O)NCc1cn(Cc2cncc(F)c2)c[nH+]1 -[H]/N=C(\c1cc(C[NH3+])c(C[NH3+])c(C[NH3+])c1)c1cccc2c1ccn2C -C[N+]1=C(N)c2c(ccc(C(=[NH2+])NCc3ccc(F)cc3)c2C[NH3+])N[C@@H]1c1ccc(F)cc1 -Cc1cc2c(cc1C(F)(F)F)C[C@H]([NH3+])N=C(c1cccc(-c3cc([C@@H](N)[NH3+])ncn3)c1)C2 -CCc1ccc([C@H](O)Cc2c(Cl)cncc2Cl)c(CC[C@H]([NH3+])O)c1CC -NC(=O)Nc1cccc(-c2cccc3c2C[C@@H]([C@H]([NH3+])Nc2cccc(Cc4ccccn4)c2)C3)c1 -Cc1ccc2c(C[C@H](N)[C@@H](N)[NH3+])nc3ccnc(N)c3c2c1 -O[C@@H](C1[NH2+]CC[NH2+]1)N(Cc1cc2cc(F)nc(F)c2nc1F)[C@H]1C[NH2+]C[NH2+]1 -CCc1cc(C(=O)CCC(=O)CC(=O)CC2N[NH2+]N[NH2+]N2)cc(Cl)c1CC -O=C1C#CCN1CCC[NH2+][C@H](O)CNc1cc(F)c2ccccc2c1 -[NH3+]CC[C@H](CCc1cccc2cnccc12)[NH2+]Cc1ccccc1 -Cc1ccc2c(C[C@H]([NH3+])C(N)N)nc3ccnc(N)c3c2c1 -Nc1nn([C@@H](O)Nc2ccc(C[NH3+])c(C[NH3+])c2)c2ccccc12 -[NH3+]Cc1cc(-c2ncc3ccccn23)cc(C[NH3+])c1C[NH3+] -O[C@@H](CNc1cccc(F)c1)[NH2+]CCc1c(F)cncc1F -FC(F)(F)c1ccc(CN[C@H]2N[NH2+]NN[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 -C[C@H]([NH3+])c1ccc(Cl)cc1N[C@H]([NH3+])Cc1cccc2ccccc12 -O=C1NNN=C2C(c3ccc(C[C@H]4C[NH2+]C[NH2+]4)nc3)=[NH+]c3cccc1c32 -Cc1ccccc1C(=O)NC1=C(CCc2cc(=O)n3ccccc3n2)N=[NH+]1 -Cc1c(N)ncnc1N1CCN(C(=[NH2+])[C@H]([NH3+])Cc2ccccc2)CC1 -C[N@H+](Cc1cccc2cnccc12)C[C@H](O)C[NH2+]Cc1ccc(Cl)c(Cl)c1 -Nc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)[C@@H](N)[NH3+] -[NH3+]Cc1ccc(Cl)cc1N[C@H]([NH3+])CC[C@H]([NH3+])c1ccc2c(c1)CCCC2 -Cc1ccc(C[C@H]([NH3+])C(=[NH2+])N2CCN(c3ncnc(N)c3C)CC2)cc1 -[H]/N=C/c1cc(N)cc(N)c1-c1ccc(N)c(NC[NH2+]C)c1 -CCc1ccc(NC)c(CN[C@H](O)[C@H]([NH2+]C)n2cc(F)c3[nH]c4ccccc4c3c2=O)c1 -Cc1c(N)ncnc1N1CCN([C@H]([NH3+])[C@H]([NH3+])Cc2ccccc2)CC1 -[NH3+]Cc1ccc(N[C@H]([NH3+])CN[C@H]([NH3+])Cc2cccc3ccccc23)c(C[NH3+])c1 -[NH3+]Cc1cc(C[N@H+]2CCC[C@@H]([C@H]([NH3+])Nc3ccccc3Cc3cccnc3)C2)ccc1F -[NH3+][C@H](O)CCn1cc2c(cc1=O)CCc1ccccc1-2 -C/C(=N\c1c(Cl)cncc1Cl)c1cnc(C[NH3+])nc1-c1ccc(C[NH3+])c(C[NH3+])c1 -Nc1ncnc(N2CCN([C@H]([NH3+])[C@H]([NH3+])Cc3ccccc3)CC2)c1N -[NH3+]Cc1ccc(CN[C@H]([NH3+])[C@@H]2Cc3nccc(-c4cccc(F)c4)c3C2)cc1C[NH3+] -[NH3+]Cc1ccc(Cc2cccnc2)cc1Nc1cccc(F)c1 -[H]/N=C1\[NH+]=NC2=C1[C@@H](c1ccc(F)cc1)N[C@@H](CCc1ccncc1)C2 -c1ccc2c(CC[NH2+]CCCC[NH2+]CNc3cc[nH+]cc3)ncnc2c1 -C[C@@H](Cc1ccnc2ccccc12)[C@H]([NH3+])Nc1ccc(Cl)cc1 -[NH3+]Cc1ccc(Cc2cccnc2)cc1NC1CCCCC1 -[NH3+]CN(C[C@@H]1CCc2ccccc2C1)[C@@H]([NH3+])Nc1ccc(F)cc1 -[NH3+]Cc1cc2nc(Cn3cnc4ccccc43)cc([O-])n2n1 -C[C@H]([NH3+])c1c(N)ccc(CCCn2cnc3ccccc32)c1N -C[C@](C[NH3+])(COc1ccc(C[NH3+])cc1C(F)(F)F)N[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 -CC(C)[C@H](C[NH3+])C[C@H]([NH3+])CCc1cccc2ccccc12 -CCCc1ccc([C@H]([NH3+])Nc2ccc(OC)nc2[C@H]([NH3+])NCC2CCOCC2)c2ccccc12 -[NH3+][C@@H](Cc1cc(F)c(F)cc1F)C[C@H]([NH3+])N1CCn2cnc(-c3ccccn3)c2C1 -CC[C@H]([NH3+])C[C@H]([NH3+])N[C@H]1CC[C@@H](CC[NH+]2CCC(c3cccc4c3CCN4)CC2)CC1 -[H]/N=C(/c1ccc(F)cc1)c1cn(Cc2cccc(F)c2)c2cc(C[NH3+])c(C[NH3+])cc2c1=[NH2+] -Cn1cc(N[NH2+]N[C@H]([NH3+])CCc2ccc(F)cc2)c2ccccc21 -O[C@H](NCNc1cc(F)nc(F)c1F)[NH2+][C@@]12C[C@H]3N[C@@H](C1)[NH2+][C@@H](C2)N3 -[NH3+]Cc1c(Cl)cc(Cl)cc1[C@H]([NH3+])Nc1cccc2cccnc12 -CC(=O)c1ccc2ncnc(Cc3ccc(C[NH3+])cc3)c2c1 -C=C(C[C@H]([NH3+])/C(C)=N/c1cc(C(F)(F)F)ccc1Cl)c1cc(C[NH3+])c(C[NH3+])cc1C[NH3+] -[NH3+]CNCC[C@H](O)c1ccc(O)c(Cl)c1 -C=C1c2cc(C[NH3+])c(C[NH3+])cc2C[C@H]1CC1CC[NH+](Cc2ccc(C)c3ncccc23)CC1 -NC(=[NH2+])C1=C(NC(=[NH2+])CCc2ccc3cc(N)ccc3c2)CC[C@H](c2ccc(F)cc2)C1 -CCC[C@H]([NH3+])c1cnn(-c2ccc(Cl)cc2)c1N[C@H]([NH3+])c1cc2cc(C)ccc2cc1N -Cn1c(O)cc2cc(C(=[NH2+])CCC(=O)Nc3ccccc3NC[NH3+])ccc21 -CCc1ccc(-c2cncc(Nc3cc(C[NH3+])c(C[NH3+])c(C[NH3+])c3)n2)cc1 -Nc1ccc(-c2ccccc2)cc1N[C@H]([NH3+])c1ccc(CN[C@H]([NH3+])Cc2cccnc2)cc1 -CC[NH2+][C@H](O)N1CCC([NH2+][C@H](O)CNc2c(C)nc3c(c(F)nn3C(F)(F)F)c2F)CC1 -c1ccc(CN2CC[C@@H](NC[NH2+]COCn3ccc4ccccc43)[NH2+]C2)cc1 -[NH3+]Cc1ccccc1[C@H]([NH3+])C[C@H]([NH3+])c1ccc(-n2ccnc2)cc1 -C[C@@H](c1csc2ccccc12)N(CCC[NH3+])C(=O)CCCC1=CN=C2C=CC=C12 -[NH3+][C@@H]1c2ccccc2[C@H]([NH3+])[C@H]1c1cc(F)cc(Cc2cccnc2)c1 -Cc1cc(-c2ccc(N[C@H]([NH3+])Nc3ccccc3C[NH3+])cc2C[NH3+])ccn1 -[NH3+]Cc1cc([C@H](Cl)Cc2cccc(Nc3ncnc4ccccc34)c2)cc(C[NH3+])c1C[NH3+] -CC1=[N+](C2CC[NH+](Cc3ccc(C[NH3+])cc3)CC2)C[C@H](c2ccnc3ccc(C[NH3+])cc23)C1 -[NH3+]Cc1ccc(-c2cc(Nc3ccccc3)nn2-c2ccc(F)cc2)c(C[NH3+])c1C[NH3+] -[NH3+]Cc1cccc([C@H]2CCN(c3ccc(-c4ccncc4)cc3)[C@@H]2[NH3+])c1 -[NH2+]=C(c1cccc(Cl)c1)N1CCc2cc(C[NH3+])c(C[NH3+])cc2[C@@H]1CCc1cccc(C[NH3+])c1 -Cc1cccc(-c2ccc(C[NH3+])c(CCc3ccccc3)c2)[n+]1-c1cc(C[NH3+])c(C[NH3+])c(C[NH3+])c1 -C=C(C)c1ccc2ncnc(Cc3ccc(C[NH3+])cc3)c2c1 -[NH3+]Cc1[nH]cc([C@H](O)c2ccccc2Cl)c(=O)c1C[NH3+] -C[C@](C[NH3+])(COc1cc(C[NH3+])ccc1C(F)(F)F)N[C@@H]([NH3+])c1ccc(CC(F)(F)F)cc1 -CNc1nc(Nc2cc(F)c(-n3ccnc3CC[NH3+])cc2C[NH3+])ncc1C(F)(F)F -NC(=[NH2+])c1ccc(-n2cc(C[NH3+])c(-c3c(C[NH3+])ccc4ccccc34)c2)cc1N -[NH3+]Cc1ccc(C[NH+]2CCC([C@H]([NH3+])N3CCN(c4ccccc4F)CC3)CC2)cc1C[NH3+] -Cc1c(N)ncnc1N1CCN(C(=[NH2+])[C@H](N)Cc2ccccc2)CC1 -Cc1ccc(C[C@H](N)C(=[NH2+])N2CCN(c3ncnc(N)c3C)CC2)cc1 -O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccccc2OCC[NH+]2CCCC2)[nH]1 -[NH2+]=C(c1cccc(C[NH3+])c1C[NH3+])N1CCCc2ccccc21 -[NH3+]Cc1ccc2[nH+]c3nc(F)ncc3c(NCC[NH2+][C@H](O)NCc3cccnc3)c2c1 -O=C(NSC=c1ccc2c(c1)N=C[N+]=2[O-])c1ccc(F)cc1 -Nc1c(C(=[NH2+])NCc2cccc(F)c2)cnc2ccc(-c3ccc(C[NH3+])cc3)c[n+]12 -NC(=[NH2+])c1cc(Cl)c(Cl)cc1C(=[NH2+])Nc1cccc2cccnc12 diff --git a/results/docking/Selected_denovo_AKT1_inhibitors.smi b/results/docking/Selected_denovo_AKT1_inhibitors.smi deleted file mode 100644 index 8fd08e0..0000000 --- a/results/docking/Selected_denovo_AKT1_inhibitors.smi +++ /dev/null @@ -1,33 +0,0 @@ -[NH3+]Cc(c1)c(C[NH3+])cc(c12)C(=C)[C@@H](C2)C[C@H]3CC[N@@H+](CC3)Cc4ccc(C)c(c45)nccc5,Mol_1 -[NH3+]Cc1c(C[NH3+])cc(cc1C[NH3+])[C@H](Cl)Cc2cccc(c2)Nc3ncnc(c34)cccc4,Mol_2 -NC(=O)Nc1cccc(c1)-c2cccc(c23)C[C@@H](C3)[C@H]([NH3+])Nc4cccc(c4)Cc5ccccn5,Mol_3 -c1cccc(c12)[C@@H]([NH3+])[C@@H]([C@H]2[NH3+])c3cc(F)cc(c3)Cc4cccnc4,Mol_4 -c1cccc(c12)ccc(c2)CN(CCCCC[NH3+])C(=O)CCCC3=CN=C(C3=4)C=CC4,Mol_5 -CCC[C@H]([NH3+])c1cnn(-c2ccc(Cl)cc2)c1N[C@H]([NH3+])c(c(N)c3)cc(c34)cc(C)cc4,Mol_6 -C[NH2+][C@H](O)Cc1cccc(c1)C[N@H+](C)CCCCc(c2)ccc(c23)ccc(c3)O,Mol_7 -FC(F)(F)c(c1)c(C)cc(c12)CC(=N[C@H](C2)[NH3+])c3cccc(c3)-c4cc([C@H]([NH3+])N)ncn4,Mol_8 -FC(F)(F)c1ccc(cc1)[C@H]([NH3+])N[C@@](C)(C[NH3+])COc2ccc(C[NH3+])cc2C(F)(F)F,Mol_9 -Nc1ccc(n12)[nH]c(cc2=O)CC[C@H](O)CC[C@H](O)c3ccc(F)cc3,Mol_10 -Clc1ccc(cc1)[C@H](CC([NH3+])(N)N)c2ccc(cc2)-c3ccncc3,Mol_11 -O=C1N=C(N)S[C@@H]1c2cnc(OC)c(c2)[C@H]([NH3+])NCc3ccc(C(F)(F)F)cc3,Mol_12 -Clc1ccccc1CC[C@@](C)(C[NH3+])N[C@H]([NH3+])c2cccc(c2)CC(F)(F)F,Mol_13 -[NH3+]Cc1cc(C[NH3+])c(cc1Cl)CC(=O)Cn(c2=O)nc(N)n(c23)ccc3,Mol_14 -c1cncc(c12)cccc2C[N@@H+](C)C[C@H](O)C[NH2+]Cc3ccc(Cl)c(Cl)c3,Mol_15 -Nc1c(Cl)cccc1NC(=O)[C@H]([C@H]([NH3+])N)NC(=O)c2ccccc2Cl,Mol_16 -c1ccncc1Cc2ccc(C[NH3+])c(c2)Nc3cccc(F)c3,Mol_17 -Fc1cc(F)c(F)cc1C[C@H]([NH3+])C[C@H]([NH3+])N(C2)CCn(c23)cnc3-c4ccccn4,Mol_18 -[NH3+]Cc1c(Cl)cc(Cl)cc1[C@H]([NH3+])Nc2cccc(c23)cccn3,Mol_19 -c1cccc(c12)scc2[C@H](C)N(CCC[NH3+])C(=O)CCCC3=CN=C(C3=4)C=CC4,Mol_20 -CCc1ccc(NC)c(c1)CN[C@H](O)[C@H]([NH2+]C)n(c2=O)cc(F)c(c23)[nH]c4c3cccc4,Mol_21 -Nc1nc(ccn1)-c2cc(C[NH3+])c(cc2)CCc3ccccc3C(F)(F)F,Mol_22 -[NH3+]Cc1ccc(Cl)cc1NC(=O)c2cccc(c2)-n3ccnc3,Mol_23 -[NH3+]Cc1ccc(c(C[NH3+])c1C[NH3+])-c2cc(Nc3ccccc3)nn2-c4ccc(F)cc4,Mol_24 -Cc1ccccc1C(=O)NC2=C(N=[NH+]2)CCc(n3)cc(=O)n(c34)cccc4,Mol_25 -O=C1C=CC(C)=C(C1=2)c3c(C2C)cc(C[NH3+])c(c3)C[NH3+],Mol_26 -Cc(c1)ccc(c12)c(C[C@H](N)[C@H]([NH3+])N)nc3c2c(N)ncc3,Mol_27 -CC(=O)c(c1)ccc(c12)ncnc2Cc3ccc(C[NH3+])cc3,Mol_28 -[NH3+]Cc1[nH]cc(c(=O)c1C[NH3+])[C@H](O)c2ccccc2Cl,Mol_29 -[NH2+]1CC[NH2+]C1[C@H](O)N([C@H]2C[NH2+]C[NH2+]2)Cc(c(F)n3)cc(c34)cc(F)nc4F,Mol_30 -c1ccccc1C[NH2+][C@H](CC[NH3+])CCc2cccc(c23)cncc3,Mol_31 -CCCc1ccc(c(c12)cccc2)[C@H]([NH3+])Nc3ccc(OC)nc3[C@H]([NH3+])NCC4CCOCC4,Mol_32 -Cn1c(O)cc(c12)cc(cc2)C(=[NH2+])CCC(=O)Nc3ccccc3NC[NH3+],Mol_33 diff --git a/results/generated_molecules/DrugGEN-CrossLoss_10000.txt b/results/generated_molecules/DrugGEN-CrossLoss_10000.txt deleted file mode 100644 index 2489174..0000000 --- a/results/generated_molecules/DrugGEN-CrossLoss_10000.txt +++ /dev/null @@ -1,10000 +0,0 @@ -NCC(=Cc1ccccc1)Cn1cnnn1 -Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5ccccc5c4)cn3)CC2)c1Cl -CC(C)(C)Cn1cncc1-c1cccc(CCc2ccccc2)c1 -Cc1ccc2c(c1)CN(C)C(C(=N)NC(CN1CCC(C)CC1)C(C)C)C2 -CCC(C)CCCCCCCc1cccc(C)c1C -C=C(C)CC12CCCC(C)(CC(=C)C1)C2 -Cc1c(N2CCN(C)CC2)c(N)cc2cc(O)cc(OCCNC(N)OC(C)(C)C)c12 -CCOc1ccc(CC(C(N)NC(Cc2ccccc2)C(N)NCc2ccc(CN)cc2)N(C)C(N)CC)cc1 -NCc1c(-c2ccccc2)cc(C2CC2)nc1N -Cc1nnc2c(n1)C13CCN(CC4CCC4)C(C2)C1CCC(=O)C3 -C=Cc1cn(CCCc2cccc(CC)c2)c2ccccc12 -C=C(Nc1ccc(C(C)C)cc1)N1CCCC1C(=C)N1CCC2C1C(C)C(=C)N2C(=C)C1C(C)C1C -Cc1cc(C(C)(C)C(=O)O)ccc1-c1ccc(C2CCCCC2)cc1 -Cc1ccc2nc(N3CCC(NC(=O)CN4CCCCC4)C3)ccc2c1C=O -Cc1cc2nc(N)nn2c(-c2ccc(C(C)(C)C)cc2)n1 -C=C(CCC)C(C)c1ccc(CC2CCC(c3ccc(CCC)cc3)C2)cc1 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-N=C1c2ccc(C(F)(F)C(F)(F)F)cc2C(c2ccccn2)=NC1(N)N -NC1CCC(Nc2cccc(Cl)c2)=C1c1cccc(Cl)c1 -C=C1c2ccc(C)cc2C2=C(c3ccccc3C2CCC)N1Cc1ccc(CC)cc1 -Oc1cncc(C(O)NCCCNC(O)c2cncc(O)c2)c1 -CC(O)OCC1C(O)C(COC(C)O)C2C(COC(C)O)C(O)C(COC(C)O)C12 -NCc1ccccc1C1=Cc2ccccc2CC1 -Cc1ccc2c(CCCN3CCN(Cc4cccc(CN)c4)CC3)cccc2n1 diff --git a/results/generated_molecules/DrugGEN-Ligand_10000.txt b/results/generated_molecules/DrugGEN-Ligand_10000.txt deleted file mode 100644 index 8e0d999..0000000 --- a/results/generated_molecules/DrugGEN-Ligand_10000.txt +++ /dev/null @@ -1,10000 +0,0 @@ -CCC(C)c1cccc(C(C)C2CCC(c3ccc(C)cc3)CC2)c1 -CC1=CC(C(=O)c2ccc(Cl)cc2)C(=O)C1C=Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1 -O=C1Nc2ccc(-c3ccccc3)cc2C(C=CC2CC2)(C(O)(O)O)O1 -Cn1cc(CC(N)CNc2cncc(-c3ccc4cnccc4c3)c2)c2ccccc21 -O=CCCc1ccc(Cl)c(Cl)c1 -C=C1COc2ccc(C3(C)c4ccccc4C(=C)C3c3ccccc3C)cc2C1 -Oc1cccc2cc(N3CCCNC3)ccc12 -Oc1cc(O)cc(Nc2nc(NC3CCC(O)(O)C3)nc(-n3ccc(C(O)(O)O)n3)n2)c1 -Cc1ccc(C2C=CCC2c2ccccc2)cc1C -Cc1cccc(CCc2ccc3c(C)c(C)c(C)cc3c2)c1 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-MOL_01_000033,Cc1cn(cn1)-c2ccc(cc2OC)/C=C/C(N=3)=NC(=O)C(C34)=C(C)C(=N4)C -MOL_01_000034,CCNc1ccc(cn1)C(=O)N(C2)CCc(c23)c(N(C)C)cc(c3)C -MOL_01_000035,Cn1ccc(c12)C(COC)N(CC2)C(=O)Cc(c3)ccc(c34)OCO4 -MOL_01_000036,CCCn1ncc(c12)c(ncn2)CCc3ccccc3 -MOL_01_000037,O=C(C1)Cc(c12)nn(C(C)(C)C)c2NC(=O)c3ccccc3O -MOL_01_000038,Oc1ncc(cc1)-n2c(c(O)nc2C)-c3c(O)cc(O)cc3O -MOL_01_000039,COC(=O)c1ccc(cc1)C2CCC(=O)Nc(c23)n(cc3)C4CCCC4 -MOL_01_000040,c1ccccc1-n(cc2C(=O)NN)c(=O)c(c23)n(cc3)-c4ccccc4 -MOL_01_000041,CC(C)(C)n(c1)cc(C(=O)N2)c1CC23CCN(CC3)C(=O)c(c4)ccc(c45)ccc(c5)N -MOL_01_000042,CCCOC(=O)c1ccc(C(=O)OC)c(c1)NC(=O)c(c2=O)ccc(n23)OCC3 -MOL_01_000043,c1cccn1CCOc2cc(N)cc(N)c2-c3cc(N)cc(c34)CN(C4)C(=O)NC5CCC5 -MOL_01_000044,Nc1c(O)c(C)cc(c12)Nc3c(O2)cnc(n3)Nc4cccc(c4)OCCN5CCOCC5 -MOL_01_000045,Nc1cccc(c1N)C(=O)N(C2)CCn(c23)c(cc3)-c4ccc(O)cc4 -MOL_01_000046,CCc1ccc(cc1)-c2ccn(c23)c(C)c(cn3)C(=O)NCCOc4ccccc4 -MOL_01_000047,Nc1ccccc1C2=NC(C(=O)Nc(c23)ccc(c3)N)CC4=CN=C(C4=5)C=CC5 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-MOL_01_000079,CC(C)n1ccc(c12)c(ccc2)CCC(CN)COC(=O)C3CCCCC3 -MOL_01_000080,CC(C)CN(C1=O)C(=O)C=C(C1=2)C=C(C2)c3ccn(c3)Cc4cccc(O)c4 -MOL_01_000081,CCCN1CCC(CC1)n2c(=O)ccc(c23)ccc4c3cc(cc4)-c5ccc(N)cc5 -MOL_01_000082,CCCCNc(c1)cc(N)c(c12)cc(O)n2Cc3ccccc3C -MOL_01_000083,Nc1cccc(c12)n(cc2)C3COCC(O3)CO -MOL_01_000084,COc1cccc(c1)C(=O)Nc2ccccc2-c3ccn(c3)-c4ccccc4 -MOL_01_000085,Cc1ccccc1CC(CO)NC(=O)CC(c2cccc(N)c2)NC(=O)c3ccccc3 -MOL_01_000086,CN(C)c1ccc(O)cc1CCCCC(N(C)C)/C(O)=C/C(=O)N -MOL_01_000087,Cc1ccc(cc1)CCC2=Nc(cccc3)c3C(N24)=NC(=O)C4 -MOL_01_000088,Cc1ccccc1C(=O)NC2=C(N=N2)CCc(n3)cc(=O)n(c34)cccc4 -MOL_01_000089,CN1CCN(CC1)CC(=O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(=O)CN5CCN(C)CC5 -MOL_01_000090,c1cccc(c12)nc(n2CCOC)CCC(=O)Nc3ncc(N)c(C)c3N -MOL_01_000091,c1ccccc1-n2cc(C)c(c2N)CN(C(=O)CN)c3cccc(c34)cccc4 -MOL_01_000092,CNC1CN(C1)c(cc(N)c2)c(CCC3)c2C34CCCC4 -MOL_01_000093,c1cccc(c12)c(cc(=O)n2C)CCC(=O)N3CCCC3 -MOL_01_000094,c1cccc(c12)c(O)c(C)c3c2n(CCO)c(c3)Nc4ccccc4 -MOL_01_000095,Oc1ccc(cc1C)/C=C2\C/C(=N\C3CCCC3)N(C2=O)c4ccccc4 -MOL_01_000096,CCCOc1ccc(COC(CO)CO)c(c1OC)OCCC -MOL_01_000097,COc1cccc(c1)-n2ccnc2CCC(=O)Nc3c(C)cc(C)cc3C -MOL_01_000098,CCC(=O)Nc1ccccc1C(=O)OCC(C=2)=CC(=O)C(C23)=CC(=N3)C -MOL_01_000099,Cc1cccc(c1)-c(c2O)c(F)nc(c23)cc(cn3)N -MOL_01_000100,COc1ccc(C)cc1-c2cn(cc2NC=O)CCN3CCNCC3=O -MOL_01_000101,O=C(O)c1cccnc1CC2CC(=O)N(C2=O)c3ccccc3 -MOL_01_000102,COc1cccc(c1OC)C(=O)N2CCN=C2CCc3cccnc3 -MOL_01_000103,CCc(c1)ccc(c12)n(cc2)-c3ccc(C(=O)NCCC(C)C)c(c3)NC4COC4 -MOL_01_000104,Oc1ccccc1-c2cn(C)cc2CN3CCC(CC3)C(=O)N4CCCC4 -MOL_01_000105,CCOc1ccc(cc1)N2C(=O)CC(C2=O)n3cc(C)cc3C -MOL_01_000106,CCOC(=O)N1CCN(CC1)C(=O)c(c2)ccc(c23)CCCN3CC -MOL_01_000107,O=CCC1CC(c(c2)ccc(c23)O3)N(C1)CC(=O)NCCCN4CCOCC4 -MOL_01_000108,CCCCCC(=O)OC/C=C/C1CCN(C)Cc(c12)ccc(c2O)NC -MOL_01_000109,NC(=O)Nc1cccc(c1)-c2cccn2-c3cccnc3 -MOL_01_000110,CN1CCN(CC1)c2cn(c3c(c24)cccc4)c(=O)c5c(n3)cccc5 -MOL_01_000111,COc1ccccc1NC(=O)CCCC(=CC2=O)c(c23)cc(C)cc3C -MOL_01_000112,C1CCOC(C)=C1C(=O)Nc2ccccc2C(=O)NC3CCCCC3C -MOL_01_000113,CCCCNc1cc(N)cc(C)c1CCCN2CCCCC2 -MOL_01_000114,c1ccccc1-n2c(nnc2C)CCc3nnc(n3C)-c4ccccc4 -MOL_01_000115,CC(C)C(C)NC(=O)N(C1)CCn(c12)cc(c2)C(=O)NCCN(C)C -MOL_01_000116,OCCN(C)C1CCN(CC1)c(cc(c23)cccc3)n2Cc4ccc(O)cc4 -MOL_01_000117,Cc1ccc(cc1)-n2nnnc2CCC(=O)N(C3)CCc(c34)cccc4 -MOL_01_000118,Cc1ccccc1C(CC(=O)O)NC(=O)c2cc(N)ccc2N -MOL_01_000119,CC(C)NC(=O)N(C)CCOc1c(C=O)cccc1NC(=O)C2CCCCC2 -MOL_01_000120,COc1ccccc1NC(=O)Cc2nnc(n2C)CCC(=O)Nc3ccccc3O -MOL_01_000121,OCCn1c(=O)nc(c(c12)CCCC2)CCc3cccnc3 -MOL_01_000122,Oc1ccc(cc1)Cn2c(cc(c23)cccc3)N4CCNCC4 -MOL_01_000123,C1CC1CN(CCC)C(=O)c2c(ccc(c23)O3)OCC(=O)NC(CC)CO -MOL_01_000124,Nc1ccc(c(N)c1)C2=C(C=C2)C(=O)Nc3cccc(c34)cccc4 -MOL_01_000125,NC(=O)Nc1cccc(c1)-c2cccn2-c3ccc(O)cc3 -MOL_01_000126,Cc1ccc(cc1)C2(O)N(CC=C)/C(OC2)=N/c3ccccc3 -MOL_01_000127,Cc1ccc(cc1)-c2nnc(n2C)CCC(=O)NC3CCCC3 -MOL_01_000128,CC1=C(C)C(=O)N=C(C1=2)C(C)=CC2OCC(=O)NC3CC3 -MOL_01_000129,C1CCc(n12)ncc(c2=O)C(=O)NCc3ccc(O)cc3 -MOL_01_000130,C1CCc(c12)cc3c(c2)N(N)C(=NN3N)N4CCCCC4 -MOL_01_000131,c1cccn1-c2ccc(cc2)C(C)NC(=O)c3c(N)cccc3O -MOL_01_000132,CCc1ccccc1NC(=O)C(=O)C(CC)c2c(N)cccc2N -MOL_01_000133,CN(C)CCOC(C=C1)=C(C1=2)N=C(N2)c3cccc(c3)OCc4ccccc4 -MOL_01_000134,c1ccccc1N(CC(=O)N)C2OC(=O)N(C2=O)Cc3ccccc3 -MOL_01_000135,CCC1CCCN1C(=O)CNC(=O)CCC(=O)NCCNCc2ccc(O)cc2 -MOL_01_000136,c12ccc(O)c(c1)OCc3c(cc(cc3)-n4cccc4)CC(O)C(C2)NCC5CC5 -MOL_01_000137,CNC(=O)C1CC(N)CN1c2cc(cc(C)c2C)N3CCCC3 -MOL_01_000138,Oc1cc(ccc1)-n2cc(NC)c(c2)C(=O)Nc3ccc(cc3)OCC(=O)N -MOL_01_000139,CCn1c(C)cc(c1C)/C=C2\CC(=O)N(C2=O)C(C)C(=O)OC -MOL_01_000140,O=c1cc(O)nc(n1CC=C)CCc2ccccc2 -MOL_01_000141,COc1c(C)cc(cc1C)Cc(c(=O)n(C)cc2)c(c23)cc(c3)N -MOL_01_000142,c1ccccc1NC(=O)Cn(c2=O)cc(c(c23)cccc3)Cc4ccccc4 -MOL_01_000143,NC(=O)c1cnc(cn1)-c2cccc(c2)NC(=O)C3CC3 -MOL_01_000144,Cn1cccc(c12)c(=O)nc(c2)-c3ccc(N)cc3 -MOL_01_000145,CCOC(=O)N(C1=O)C(C)=NC1(C(=O)OC)C(=O)OC -MOL_01_000146,Nc1ccc(c(N)c1)C(N=2)=CC(C23)=C(C=C3)c4ccccc4 -MOL_01_000147,CCN(CC)c(n1)nc(n12)ncn(c2=O)C(=O)NCc3cccc(C)c3 -MOL_01_000148,CCC(C)c1ccccc1NCCC(=O)Nc2ccccc2N3CCCC3 -MOL_01_000149,CCOc(c1)ccc(c12)cc(CC)c(n2)CCC(=O)N3CCCC3 -MOL_01_000150,COC(=O)CNC(=O)c1ccccc1Nc2c(N)ccc(C)c2N -MOL_01_000151,Nc1ccc(O)cc1-c2ccc(nc2)N3CCOCC3 -MOL_01_000152,Nc1ccc(cc1)-c(c2)ccc(c23)COc4cc(ccc4O)CC(C(C3)O)NCCC -MOL_01_000153,c1ccccc1C2(CC2(N)N)C(=O)Nc3ccccc3 -MOL_01_000154,Oc1ccc(cc1C)-c2ccc(O)c(n2)CNC(CO)C(C)C -MOL_01_000155,CC1=C(C(=O)N)C(=N1)NC(=O)c2cc(cc(c23)cccc3)-c4ccccc4 -MOL_01_000156,CNCC1=C(N=N1)CCCNC(C)CC(NC(=O)C2CCC2)c3ccccc3 -MOL_01_000157,COc1ccccc1/C(CCC)=C/C(C=N2)=C(C2=3)C(N)=NC(N3)=N -MOL_01_000158,CNCCNc1ccc(C)cc1C(=O)NCc2ccc(N)cc2C -MOL_01_000159,Oc1ccc(cc1)C(N2)=CC(n(c23)ccc3)c4ccc(O)cc4 -MOL_01_000160,Cc1c(C)c(C)c(C)c(c12)n(cn2)CC(=O)NN -MOL_01_000161,CCc1nc(NC(CC)CC)cnc1-c2ccc(N)cc2N -MOL_01_000162,CCn1ccc(c1)CNCc2cn(-c3ccccc3C)cc2-c4ccc(OC)c(O)c4 -MOL_01_000163,OC12c3ccc4c(c3)C\4=C(/CC)CCCOc5ccc(cc5OC)CCN(CC1)CC2 -MOL_01_000164,c1ccccc1C(N(C)C(=O)C(O)(O)O)CCCN2CCCC2 -MOL_01_000165,COc(c1)ccc(c12)cc(CC)c(n2)CCC(=O)N3CCCC3 -MOL_01_000166,CC(=O)N1CCC(C1)c(c2)ccc(c23)CN(CC3)C(=O)c4ccccc4 -MOL_01_000167,Nc1ccc(cc1N)-c2cc(ncn2)C3=NC(=O)N=N3 -MOL_01_000168,C1=Nc(c12)ccc(c2C)Nc3c(cncc3CC)/C=C/CN4CCC(N)CC4 -MOL_01_000169,CCc1cc(O)c(c(O)c1)Nc2nc(N)cn(c2=O)C(C)C3CC3 -MOL_01_000170,Cc1ccc(cc1O)Nc2nccn(c23)cc(C)c3C -MOL_01_000171,C1CCNc(n12)cc3c(c2=O)cc(cc3)OCc4ccccc4 -MOL_01_000172,Nc(c1)cc(O)c(c12)cc(O)n2COCCO -MOL_01_000173,O=c1n(C)ccc(c12)cc(cc2NC(C)C)-c3ccccc3N -MOL_01_000174,CC(=O)NCC(OCC)CCCCCn1ccc(c1)CN(C2=O)C(=O)c3cccc(c3c24)ccc4 -MOL_01_000175,CC(C)CC(CO)Nc1cc(cc(c1=2)=CC(N2)=O)OCc3ccccc3 -MOL_01_000176,CC(C)Nc1cccc(c12)CCN(CC2)C(=O)NCc3cccc(O)c3 -MOL_01_000177,Oc1cccc(c1)CCc(nc(c23)nccc3)c(n2)OCCN4CCCC4 -MOL_01_000178,Nc1cc(N)ccc1-c2n(C)c(nn2)-c3ccccc3O -MOL_01_000179,Oc1ccccc1C(=O)NN2C(=O)O/C(C2=O)=C\c3cccc(O)c3 -MOL_01_000180,COc1cccc(c1)Nc2cc(-c3ccccc3)cc(c2)N4CCCC4CO -MOL_01_000181,NC(=O)CCC/C=N/C(=O)/C(C=N)=C/c(c1)ccc(c12)OCc3c(O2)cccc3 -MOL_01_000182,CCCCc(n1)nc(C)c(c12)ncn2CO -MOL_01_000183,NC(=O)CN1CCC(CC1)NC(=O)c2cc(OC)c(cc2)Nc3cccc(C)c3 -MOL_01_000184,C1CCOC(C)=C1C(=O)Nc2ccccc2C(=O)NCc3ccccc3 -MOL_01_000185,CCCCOCCN(CCOC)c1cc(C)cc(c12)c(c(C)cc2)-c3ccc(N)cc3N -MOL_01_000186,COc(c1)c(OC)cc(c12)ccc(C(=O)N)c2Nc3cccc(C)c3 -MOL_01_000187,CC(C)NCC1=C(N=C1)Oc(c2)ccc(c23)OC(CC3)c4ccccc4 -MOL_01_000188,Cc1cc(O)ccc1NC(=O)CCCCNC2=C(C=C2)n3c(C)ccc3C -MOL_01_000189,Nc1cccc(c12)n(cc2)CC(O)C(=O)OC3CCCCC3 -MOL_01_000190,NNC(=O)/C=C/c(cc1)cc(c12)cc(n2CCC)CCc3ccccc3 -MOL_01_000191,CCc1c(O)cccc1NCCCOCC2CCOC2 -MOL_01_000192,COc1ccc(cc1OC)/C(N)=C(\C=O)c2ccc(N)c(N)c2 -MOL_01_000193,COc1ccc(cc1OC)CCC2(CNC(=O)O2)C(C)Cc3ccccc3 -MOL_01_000194,CCN(CC)c(c1)c(CCC)cc(c12)c(O)c(cc2)C(=O)OC -MOL_01_000195,c1cccc(c12)nc(C)c(n2)CCC(=O)NC(=O)Nc3cccc(O)c3 -MOL_01_000196,CC(C)CC(C(=O)O)N1C(=O)C/C(C1=O)=C\c2ccc(O)cc2 -MOL_01_000197,CCNc(n1)nc(NCC)n(c12)c(nn2)CCC(=O)Nc3ccc(OC(F)F)cc3 -MOL_01_000198,CC=1C(C)=CC(C12)=NC(=NC2=O)CCC(=O)N3CCN(CC3)CCO -MOL_01_000199,Nc(c1)cc(O)c(c12)cn(c2)-c3cccc(c3)C(=O)NCc4ccc(cc4)-c5ccccc5 -MOL_01_000200,c1ccccc1CCC(=O)C2CCCN(C2)C(=O)c3ncc(O)cc3O -MOL_01_000201,COc1cccc(c1)C(=O)NCC(NC(=O)N)COc2ccccc2-c3ccccc3 -MOL_01_000202,c1ccccc1-c(c2C(=O)O)ccc(c23)CN(CC3)Cc4ccccc4 -MOL_01_000203,CCN(C(=O)C)C1CCC(CC1)C(N)Cc2cc(O)ccc2O -MOL_01_000204,COc1ccccc1/C=C(C2=O)\N=C(N23)OCCC3 -MOL_01_000205,N=1C=CC(C12)=CC(=NC2=O)NC(=O)c3ccc(O)cc3 -MOL_01_000206,Cc1c(C)ccc(c12)n(c(n2)C)COC(CO)CO -MOL_01_000207,c1ccccc1C(C)Nc2cc(O)cc(c2)N3C(=O)OCC3C(C)C -MOL_01_000208,C=CCc1cccc(OC)c1OCCCNN(C2(C)C)C(=N)N=C(N)N2 -MOL_01_000209,COc1cccc(c1)NC(=O)NCCNc2ccc(nc2)Nc3cccc(C)c3 -MOL_01_000210,C1NCCOC1c2cc(C)c(cc2)NC(=O)Nc3ccc(cn3)C(O)(O)O -MOL_01_000211,CCN(CC)CCN(C(=O)CC)CCNCCc1ccc(O)c(c1=2)=CC(N2)=O -MOL_01_000212,Nc1cccc(c1)C(c2ccccc2)N(CC=O)C(=O)c3ccccc3O -MOL_01_000213,COc1ccc(cc1OC)C(=O)N2CCN=C2CCc3cccnc3 -MOL_01_000214,c1ccccc1C(=O)NCCC(c2cc(N)c(N)cc2)CCN3CC(C3)N4CCOCC4 -MOL_01_000215,CCCN/C(N)=N\C(C12CCC(OC)CC1)c3c(C2)ccc(c3)CCC4CC4 -MOL_01_000216,C1CC1c2ccc(n2CC)OCC(=O)NNC(=O)c3ccc(OC)cc3 -MOL_01_000217,CCOc1ccccc1NC(=O)/C=C2\CCC(=O)N2 -MOL_01_000218,Cn1ncnc1CCC(=O)N2CCN(CC2)c3ccccc3 -MOL_01_000219,COc1ccc(cc1)C(=O)Nc2cccn2C3CCN(CC3)Cc4ccccc4 -MOL_01_000220,COc(c1)cc(C(O)(O)O)c(c12)c(O)ccn2 -MOL_01_000221,Cc1ccccc1/N=C2/C/C(C(=O)N2)=C/c3ccccn3 -MOL_01_000222,CCc1ccc(NCCOC)n(c1=O)CCc2ccc(OC)cc2 -MOL_01_000223,C1CC1CNC(=O)C2(C(O)(O)O)C/C(CCCO2)=C/Cc3ccccc3 -MOL_01_000224,Nc1cc(O)cc(c1)CCNC(=O)CCC2CCCN(C23)CCCC3 -MOL_01_000225,O=C1NC(=O)C(O1)Cc(c2)ccc(c23)OCC3Cc4ccccc4 -MOL_01_000226,Cc1ncc(cn1)C(C(CC2)CCC2(O)O)CNC(=O)c3ccccc3O -MOL_01_000227,CCCc1cnc(N)c(n1)CN/C(=N\CC)Nc(c2)ccc(c2=3)=NC(N3)=O -MOL_01_000228,CCOC(=O)c1cccnc1CCC(=O)Nc2ccc(C)cc2 -MOL_01_000229,O=C1N=CN=C(C1=2)N=CC2C(=O)NCc3ccc(cc3)CN4CCC(O)CC4 -MOL_01_000230,C1CCCC1OC(=O)NC(C(C)(C)C)C(=O)NCCOC(=O)N(C2)Cc(c23)cccc3N -MOL_01_000231,NCCCC(CCO)n1cc(c(c1)C(=O)N)Nc2cccc(O)c2 -MOL_01_000232,O=C(N=1)C=Cc(c12)ccc3c2=CC=N3 -MOL_01_000233,CCNC(=O)c1cnc(Cc2ccccc2)n1Cc3ccc(C)cc3 -MOL_01_000234,CCOc1ccc(cc1)-c2cnc(n2N)CC(=O)N(CC)CC -MOL_01_000235,Cc1ccc(cc1)C(=O)CCc(n2)nc(=O)n(c23)cc(C)cc3 -MOL_01_000236,CCOC(=O)c1ccc(cc1)NC(=O)CCC(C2)=NN(C2=3)CCCC(N3)=O -MOL_01_000237,CCCN(CCC)C(C1OO)CCC(=C12)/C(CCC2)=N/OCc3ccccc3 -MOL_01_000238,CC(C)=NCC1CC(=NN1)c2cc(O)c(c(O)c2)-n3ccnc3 -MOL_01_000239,CC1=C(C)N(O)C(=C(C)N1O)c2ccc(O)c(C)c2 -MOL_01_000240,c1ccccc1CN2CC(CN)C(CC2=O)c3cc(O)ccc3O -MOL_01_000241,C1COCCN1c2cc(OC)c(cc2)Nc3ncc(N)c(n3)OC -MOL_01_000242,Nc1cc(ccc1)CC(C(=O)OCC)CCCNC(=O)CN2C(=O)CCC2=O -MOL_01_000243,Cc1ccc(cc1O)NC(=O)CC(O)CC(=O)Nc2cccc(C)c2C -MOL_01_000244,Cc1cc(C)n(n1)CCCNc2ncnc(C)c2C -MOL_01_000245,c12c(N2)ccc(c1)N\C(=C\C(=O)OCC)CC(Nc(c3)ccc(c34)N4)c5ccc(OC)cc5 -MOL_01_000246,c1ccccc1CCN(C)C(=O)C(CCC=C2)C2(O)COc3ccccc3O -MOL_01_000247,c1ccccc1-c(c(N)c2)c(CN)c(c23)CCCCC3 -MOL_01_000248,CC(=O)Nc1ccc(cc1)NC(=O)c2nc(ncc2N)CCc3ccccc3C -MOL_01_000249,Cc1cccc(c1)CC(N=2)=NC(=O)C(C23)=NN=C3C(C)C -MOL_01_000250,Cc(c1)cc(C)c(c12)cc(cc2)C(=O)NC3CN(C3)c4ccc(O)cc4N -MOL_01_000251,CCCC(CC(=O)O)c1ccc(cc1)OCC(O2)COc(c23)cc(N)cc3 -MOL_01_000252,c1cnccc1C(c2cnc(C)nc2)CNC(=O)c3c(N)cccc3O -MOL_01_000253,c1ccccc1/C=C2\C(=O)N(C)/C(C2)=N\c3cccc(c3)C(=O)O -MOL_01_000254,CCOc1ccc(N)c(n1)C(=O)N2CCCCCC2 -MOL_01_000255,c12c(O2)ccc(c1N)C(\c(ccc34)c(O3)c4)=C/OCCNCCCCC(=O)O -MOL_01_000256,CCC(C=1)=CC(C12)=NC(=NC2=O)c3ccc(O)cc3 -MOL_01_000257,Nc1cc(ccc1)/C=C(\CC)C(=O)NCCNC(=O)/C(CC)=C/c2cccc(N)c2 -MOL_01_000258,c1ccccc1C(=O)NCN2C(=O)CCC\2=N/N=C/c(c3)ccc(c34)OCO4 -MOL_01_000259,Oc1ccc(cc1)C(C)NC(=NC2=O)CC2(C)C(C)(C)O -MOL_01_000260,COCCNC(=O)c(c1)ccc(c12)c(N)c3c(c2)CCC3 -MOL_01_000261,CCOCCCNC(=O)c1cccc(c1)NC(=O)C2=C(C)OCCC2 -MOL_01_000262,C=1N=NC(C12)=NC(=CC2=O)Nc3cccc(O)c3 -MOL_01_000263,C1=CN=C(C1=2)C=C(C2)C(=O)NCCc(c3)ccc(c34)OCO4 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-MOL_01_000316,CC(O)c1ccccc1C2CCN(CC2)CCC(CN(C)C=O)c3ccc(N)c(N)c3 -MOL_01_000317,c1cccc(c12)nc(C)c(n2)CCC(=O)c3ccccc3 -MOL_01_000318,CCOC(=O)CNC(=O)NCc1cccc(n1)-c2ccccc2N -MOL_01_000319,CN(C)C(=O)c1cccc(c1)NC(=O)c2ccn(C)c2 -MOL_01_000320,COc1ccc(cc1)/C=C(\C(=O)NOCOC)N(CCC(C)C)Cc2ccccc2 -MOL_01_000321,CCCCCC(CO)NC(=O)/C=C/c1c(C)cc(O)cc1O -MOL_01_000322,Cc(c1)ccc(c12)nc(nc2C)CCC(=O)O -MOL_01_000323,CN(C)c1ccc(cn1)/C=C/c2c(O)cccc2O -MOL_01_000324,Cc1cn(C)c(=O)c(N)c1-c2ccccc2 -MOL_01_000325,CN1CCN(CC1)C2=C(N)C(=O)N(C2=O)CCc3ccccc3 -MOL_01_000326,CCc1cccc(c1)CCCCN(C(=O)Nc2cc(N)nc(N)c2)CCN3C(C)CCC3CO -MOL_01_000327,COc1cc(cc(c1)OC)Cn2ccc(n2)C(=O)Cc3ccccc3 -MOL_01_000328,Cc1cccc(n1)N(N)C2C=CC(CC2)OC(C)C -MOL_01_000329,CCC(O)c1ccccc1C(=O)OCC(=O)Nc(c2)ccc(c23)cccc3 -MOL_01_000330,Cc1cc(O)cc(O)c1/C=C/C(=O)NN2C(=O)CCCC2=O -MOL_01_000331,CCc1c(O)cc(O)cc1Nc2cccc(c2)C(=O)NC -MOL_01_000332,CCCCNC(=O)Nc1cc(N)c(cc1N)Nc2cccc(c23)cc(OC)c(c3)OC -MOL_01_000333,COc1c(OC)cc(cc1OC)C(C)Nc(c2)ccc(c23)cc(N)cc3N -MOL_01_000334,CCc1cc(NC)c(N=O)c(=O)n1C -MOL_01_000335,Nc1cccc(O)c1CC(=O)NC2=NCCC2 -MOL_01_000336,C1COCCN1C(=O)/C(=C\C)CC(C=O)CC(=O)NCc2cccc(c23)cccc3 -MOL_01_000337,c1cccc(c12)c(N)c(c(c2N)C(=O)OC)Cc3ccccc3 -MOL_01_000338,CCN(CC)CC(=O)Nc1ccccc1-c(c2)cc(c(c23)cccc3)NCCCN(C)C -MOL_01_000339,CCCOC(=O)C1=C(CCC1=O)Nc(c2)ccc(c23)cccc3 -MOL_01_000340,COc1ccccc1-n2nnnc2CCc3ccccc3 -MOL_01_000341,COCCC(C(=O)O)NC(=O)C(CO)CCc1ccccc1 -MOL_01_000342,CCCc1c(C)cc(nc1O)CCC(=O)C(C)(C)C -MOL_01_000343,CCOC(=O)c1ccc(cc1O)NN(C)Oc2ccc(O)cc2 -MOL_01_000344,O=C(O)/C=C/c1ccc(n12)c3c(cc2)cccc3 -MOL_01_000345,CCCNCCOCCOc(c(c1)OC)cc(c12)cccc2Nc3ccc(N)c(N)c3 -MOL_01_000346,c1ccccc1C(C)Nc2cc(N)cc(c2)N3CCCCC3 -MOL_01_000347,Cc1cccc(N)c1COC(=O)CNC(=O)c2ccc(cc2)-c3ccccc3 -MOL_01_000348,CCOC(=O)N1CC(O)C(C1)OC(=O)NCc2ccccc2-c3ccccc3 -MOL_01_000349,COc1ccc(cc1)Cn2cc(C)cc2/C=C/c3c(O)cccc3O -MOL_01_000350,C1CCCC(=C12)C(=O)N(C2=O)CCCCN3CCN(CC3)Cc4ccccc4 -MOL_01_000351,CNC(=O)CCn1ccnc1CCCN(C)Cc2ccncc2 -MOL_01_000352,CCNC(=O)CNC(=O)C(C)CCCc1ccc(c(N)c1)-c2ccccc2 -MOL_01_000353,Fc1ccc(cc1)Nc2cc(ncn2)Nc3cccc(F)n3 -MOL_01_000354,COc1ccc(cc1O)CCN2CN=C(NC2)CCc3ccc(C)cc3 -MOL_01_000355,CN(N)C(=O)/C(C)=C/c(c1)ccc(c12)cccc2 -MOL_01_000356,Cc1ccc(O)nc1/C=C/c2ccc(O)cc2O -MOL_01_000357,CCc1c(O)cccc1Nc2cnn(c2)CC(=O)N -MOL_01_000358,CCc1ccc(c(O)c1)C(O)(c2ccc(C(O)(O)O)cc2)c3cccnc3 -MOL_01_000359,OC1OCc(c12)ccc(c2)Oc(n3)ccc(c34)cccc4 -MOL_01_000360,O=CCCC/N=C/c1ccccc1/N=C/CCC(=O)Nc(c2)ccc(c23)O3 -MOL_01_000361,CC(C)Cn1nnnc1CC(C(C)C)C(=O)NCc2cccnc2 -MOL_01_000362,OCc(c1)ccc(c12)nc(O)nc2O -MOL_01_000363,Nc1ccc(cc1)C(=O)OC(Cn2cccc2)c3ccc(N)cc3N -MOL_01_000364,CCOc1ccc(cc1)-n2cccc2CCC(=O)N3CCOCC3 -MOL_01_000365,C1CCCCC1([N+]([O-])(NC)OC)Nc2ccc(C)cc2 -MOL_01_000366,Cc(c1)ccc(c12)cc(c(c2)CN)CCC(=O)NCC3CCCO3 -MOL_01_000367,N=C(N)CCc1ccccc1Oc2ccccc2CCC(=O)N -MOL_01_000368,Cc(c1)cc(O)c(c12)cccc2-c3ccc(N)cc3N -MOL_01_000369,Cc1ccccc1-n2cnnc2CCCOCC3CCCO3 -MOL_01_000370,Oc1ccc(cc1)Oc2cc(N)c(cc2)C(O)(Cn3cccc3)Cn4cccc4 -MOL_01_000371,CN(C)C(=O)n1ncnc1CNC(=O)CCCCCCCc2ccccc2 -MOL_01_000372,C1CCCCC1CN(C)CC(N=2)=NC(=O)C(C23)=CC=C3 -MOL_01_000373,Nc1ccc(cc1)/C=C2/OC(=NC2=O)Nc3ccccc3N -MOL_01_000374,COc1ccc(cc1OC)CNCC(O)c2ccn(n2)C -MOL_01_000375,CCc1ccc(cc1N)NC2CCN(C2)C(=O)OC -MOL_01_000376,Nc1cc(N)c(O)c(c1)C(=O)/C=C/C=C/c2ccccc2 -MOL_01_000377,CCC/N=C(\C)N1CCC(CC1)C(=O)c2ccc(N)cc2 -MOL_01_000378,CCn1ccc(c1)C(=O)Nc2cccc(N)c2 -MOL_01_000379,Oc1cccc(O)c1C2=NCC(C2)c3ccccc3 -MOL_01_000380,COc1cccc(c1OC)/C=N/NC(=O)CCNc2ccc(O)cc2O -MOL_01_000381,CCCNC(=O)Nc1cccc(c1)OCC(C)N(CC(C)CO)CC2CCCC2 -MOL_01_000382,CCOC(=O)/C(=C\O)C(O)c1ccccc1N -MOL_01_000383,COc1c(OC)cc(cc1OC)C(=O)NC2=NCCO2 -MOL_01_000384,CC(C)CNC(=O)NCC(O)C(N)Cc1ccccc1 -MOL_01_000385,OCC(O)CNc(c1)cc(c(c12)cccc2)-c3ccc(cc3)Oc4ccc(O)cc4 -MOL_01_000386,CC(C)CC(NC1(C)C)=NC(=C1)/C=C/c2ccc(Cl)cc2N -MOL_01_000387,CCc1ccc(cc1)/C=N/NC(=O)Nc2cc(C)ccc2OC -MOL_01_000388,NC(=O)NCc1cccc(O)c1 -MOL_01_000389,CN(C)C(=O)c(c1)ccc(c12)c(C(=O)O)ccc2N -MOL_01_000390,CCCC(=C)CCC(=O)c1ccc(cc1)CNC(=O)C -MOL_01_000391,N=C(N)n(c1O)cc(c12)CCCC2 -MOL_01_000392,Cc1cccc(c12)c(C)c(c(c2)O)CC=C(O)O -MOL_01_000393,Oc1cc(ccc1)C(=O)NCC(O)c2ccc(O)cc2O -MOL_01_000394,C1CCCCC12C(CC)=C(N)NC(=C2CC)OCc3ccc(O)cc3 -MOL_01_000395,c1ccncc1C(O)(c2c(N)cc(N)cc2)c3ccc(O)cc3 -MOL_01_000396,CN1C(=O)CC(C(=O)O)CC\1=N\c2ccc(O)cc2 -MOL_01_000397,Nc(c1)cn(c12)c(CCC)cc(n2)CCC -MOL_01_000398,COc1cc(C)ccc1OCCNN2C(=O)CCC2=O -MOL_01_000399,CCCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(C)cc1C -MOL_01_000400,COCCCn1ccc(c1)NC(=O)NCc2cccc(c2)N(C)C -MOL_01_000401,O=C(O)C(C)c1ccc(c(N)c1)N2CC=CC2 -MOL_01_000402,Cc1ccc(c(C)c1C)CCCCC(N)C(=O)O -MOL_01_000403,O=C(O)O/N=C/c(c(O)c1)cc(c12)OCO2 -MOL_01_000404,Cn1nnnc1CCC(=O)NCCc2ccc(O)cc2 -MOL_01_000405,CCc1cccc(c1)NC(=O)C(O)O -MOL_01_000406,Nc1ccc(c(N)c1)CNCCCNc(c2)cc(O)c(c23)cccc3 -MOL_01_000407,C1=CC=C(C12)C=C(C(=O)OCC)C=2CNC(=O)CC -MOL_01_000408,CC(=O)N1CC(N)=NC1c2ccccc2 -MOL_01_000409,c1ccccc1/C(=C\C(=O)OCC)/N=C(\C)/C=C(\O)OCC(CO2)OC2(C)C -MOL_01_000410,CC(C)(C)NC(=O)CN(CC)CC(=O)Nc1ccc(C)c(O)c1 -MOL_01_000411,COc1ccc(cc1)/C=C/C=C2/CC(=O)NC2=O -MOL_01_000412,CC(C)c1ccc(cc1)/C=C2/C/C(NC2=O)=N/c3ccccc3 -MOL_01_000413,Nc1nc(N)cc(c1C)CCc2ccc(cc2)CCC(=O)O -MOL_01_000414,Nc1cc(N)cc(c1)-n2ccc(c2)C3=NCCN3 -MOL_01_000415,CCOC(=O)C(C)(C)Oc(c1)ccc(c12)COC2O -MOL_01_000416,Nc1ccc(cc1)C2=NNC(C2)Cc3ccc(O)cc3 -MOL_01_000417,NCCNCCc1ccc(cc1)Nc2c(cccc3)c3cc(c24)cccc4 -MOL_01_000418,CC(C)(C)NCC(O)CN(C1=O)C(=O)C(=C12)CCCC2 -MOL_01_000419,c1nncn1NC(=C)OC(=O)c2ccc(O)cc2O -MOL_01_000420,Nc1ccc(cc1)/C=C(\CC)NC(=O)c2ccccc2 -MOL_01_000421,C1CCCC12CC(=C(CC)C(=O)N2)NCCCOC -MOL_01_000422,Nc1ccccc1-n2ccc(c2)NC(=O)CCCNC(=O)C3CC3 -MOL_01_000423,CCCCC(=O)NC(=C)Nc1ccccc1N2CCCCC2 -MOL_01_000424,NC(=O)c1ccc(cc1)-c2cc(ccc2N)-c3ccccc3 -MOL_01_000425,COc(c(N)c1)cc(c12)cc(NCC)c(c2)NCCCN3CCCC3 -MOL_01_000426,c1ccccc1-c2cc(N)c(CN)c(c2)-c3cccc(N)c3 -MOL_01_000427,CCc1ccn(c1)CCC(=O)Nc2cccc(O)c2 -MOL_01_000428,CCC1=NC(=NC(N1)C(O)(O)O)c2ccc(C)cc2 -MOL_01_000429,CCCc1cc(cc(c1)NC(C)C)Nc2ccc(N)c(N)c2 -MOL_01_000430,CCc1ccc(cc1)Oc2ccccc2/C(=N\N)NCCN(C)C -MOL_01_000431,c1cccnc1/C(C)=N/N=C(\C)N/N=C(\C)Nc2cccc(C)c2 -MOL_01_000432,Oc1cc(ccc1)CC(=O)NCCNc2ncccn2 -MOL_01_000433,CCN(CC)C(=O)/C=C(\C)N(C(=O)C)Cc1ccc(C(C)(C)C)cc1 -MOL_01_000434,CCn1ccc(c1)NC(=O)NCC(O)c2ccccc2 -MOL_01_000435,Oc1ccc(cn1)CN2CCCN=C2F -MOL_01_000436,Cc1cncc(c1)Cn2cnc(c2C)CCO -MOL_01_000437,COc1ccc(cc1)C(=O)/C=C/C=C(\N)c2cccc(N)c2 -MOL_01_000438,Cn1cccc1NCc2cccc(N)c2N -MOL_01_000439,COC(=O)/C=C/C(=O)NCCc1ccc(O)c(N)c1 -MOL_01_000440,Nc1ccccc1N(C)Cc(c2)ccc(c23)cc(N)cc3N -MOL_01_000441,C=CCN1C(=O)CCC\1=N/c2ccc(C(=O)O)cc2 -MOL_01_000442,NC(=O)NOCc1cccc(O)c1 -MOL_01_000443,c1ccccc1OCC(=O)NC2=C(N=N2)C34CC5CC(C3)CC(C5)C4 -MOL_01_000444,COc1ccc(cc1)CCCC(=O)NN=C2CCN(C)CC2 -MOL_01_000445,CCCC1CCC(CC1)C(=O)Nn(c2=O)ccc(c23)cccc3 -MOL_01_000446,Oc1ccc(cc1C)CCCc2nnc(C)n2C -MOL_01_000447,ONC(=O)CCCCCC(=O)NN/C=C/c1ccccc1F -MOL_01_000448,CCC(C)NC(=O)/C=C/c1ccc(N)cc1N -MOL_01_000449,C1CCCC1NC(=C)OCc2nc(O)cnc2O -MOL_01_000450,CCOC(=O)/C=N/n1nnnc1-c2ccccc2 -MOL_01_000451,Nc(c1)cc(N)c(c12)ccc(c2)C(=O)CCc3ccccc3 -MOL_01_000452,OCC1=CC=C(CC1)COc2cccc(O)c2 -MOL_01_000453,CC(C)(C)OOn1oc(=O)c(c12)cccc2 -MOL_01_000454,O=C(O)CC/C=C/COC1CCCC1OCc2ccc(cc2)-c3cccc(c3)CO -MOL_01_000455,Cc1ccc(cc1)CC(=O)NCCC(O)c2ccc(N)cc2 -MOL_01_000456,CCCCOCCCNC(=O)/C=C/c1ccccc1N -MOL_01_000457,c1ccccc1/C(C)=N/NC(=O)NC(C(=O)O)CCC(=O)O -MOL_01_000458,CNCCCNC(=O)c1ccn(c1)C(C)(C)C -MOL_01_000459,N=C(N)Nc1cccc(c12)ccc(c2)OCc3ccccc3 -MOL_01_000460,CCCCCC(C1=CC=CC1)C(=O)OCC2CCN(CC2)CC(=O)N -MOL_01_000461,CC(=O)Nc1ccc(c(O)c1)-n2cccc2 -MOL_01_000462,OCCN/C(C)=N/c1ccc(O)cc1C -MOL_01_000463,Cc1ccc(cc1)C2=NC(CC2)C(=O)NO -MOL_01_000464,CCNC(=O)NCC(O)CNCCN(C)c1ccccc1 -MOL_01_000465,O=C(O)NCc1cc(O)cc(c1)COC(=O)O -MOL_01_000466,Cc1ccc(Cl)c(O)c1C(=O)O -MOL_01_000467,CCCC(=O)NCC(=O)NC(C(O)O)CC(C)C -MOL_01_000468,Cc1nc(n(N)c1C)-c2ccc(N)cc2 -MOL_01_000469,Cc1cccc(C)c1OCc2ccc(O)n2N -MOL_01_000470,C1CCCCC1NC(=C)NNC(=O)c2ccccc2C -MOL_01_000471,CC(C)c1c(O)nc(nc1O)CCCN2CCOCC2 -MOL_01_000472,CC(C)(C)c1ccc(cn1)CNC(=O)CN -MOL_01_000473,Cc1nnc(n1N)CCC(=O)NC(=O)NC2CCCC2 -MOL_01_000474,O=c1[nH]c(no1)CC(OC)c(c2)ccc(c23)cccc3 -MOL_01_000475,O=C(O)C(N)CCCCc1ccccc1C(O)(O)O -MOL_01_000476,Nc1ccc(cc1)/C(=N/N)/C=C/c2ccc(O)cc2 -MOL_01_000477,CN1CCN(CC1)CCC(=O)NNc2cccc(c23)cccc3 -MOL_01_000478,CCCCc1nnc(n1C)CCC(=O)NC2CCCCC2 -MOL_01_000479,C=C1NCCN1C(=O)Nc2ccccc2 -MOL_01_000480,COc1ccc(cn1)/N=C2\N=NN=C2C -MOL_01_000481,CC1CN(CCO1)C(=O)NCCNc2ccccc2 -MOL_01_000482,Nc1ccc(N)cc1-c2cc(N)cc(c2)-c3ccc(cc3)-n4cccc4 -MOL_01_000483,CCOC(=O)NCCC(=O)NCc1ccc(cc1)Oc2ccc(O)cc2 -MOL_01_000484,CCC(=N)CC(=N)C1CCC(CC1)C(=N)CC(=N)Cc2ccccc2C -MOL_01_000485,COCc1c(O)cc(C)cc1Oc2cc(C)c(O)cc2C -MOL_01_000486,Oc1cccc2c1cc(c2c(c34)c(=O)[nH]c3=O)c5c4c6c(c5)c(O)ccc6 -MOL_01_000487,c1cccnc1NC(=C)N/N=C(\C)c2ccncc2 -MOL_01_000488,CCOC(=O)C(C(=O)C)Oc1ccc(O)cc1 -MOL_01_000489,O=C(N=1)N=c(c12)ccc(c2)C(=O)/C=C/c3ccccc3 -MOL_01_000490,C1CC1N/C(C)=N/c2cccc(O)c2C -MOL_01_000491,CC(C)(C)NC(C(N)(N)N)NC(=O)Cc1ccccc1 -MOL_01_000492,c1ccccc1C(=O)NNC(=O)/C(=C/C)C/C(=C/C)C(=O)NNC(=O)c2ccccc2 -MOL_01_000493,CNc1ccc(cn1)N/C(C)=N/C(C)C(C)(C)C -MOL_01_000494,O=C(O)c1cccc(c1)Oc(c2)ccc(c23)COC3O -MOL_01_000495,Oc1cc(O)cc(c1)/C=N/Oc2ccccc2C(O)(O)O -MOL_01_000496,NC1(N)CC1(C)C(=O)NC2CCCCCCC2 -MOL_01_000497,C1COCCN1CCCNC(=O)CCCCCc2ccncc2 -MOL_01_000498,Cc(c1)c(C)cc(c12)c(N)c(C)c(c2N)Cc3ccccc3 -MOL_01_000499,Nc1ccc(cc1N)/C=C/C(=O)C(=O)O -MOL_01_000500,CN1CCC(CC1)N/C(C)=N/c2cccc(c23)cc(N)cc3 -MOL_01_000501,NC(=O)Nc1ccc(c(N)c1)Oc2ccc(N)cc2O -MOL_01_000502,COc(c1)ccc(c12)cc(cc2)Cc3n[nH]c(=O)[nH]3 -MOL_01_000503,CCCCCC(NC(=O)C)C(=O)CN -MOL_01_000504,Nc1ccccc1CCc2cnccn2 -MOL_01_000505,CC(=O)NCCc1cccc(N)c1 -MOL_01_000506,O=C1N=NC(=N1)c2ccc(cc2)Oc3ccccc3 -MOL_01_000507,CC(C)NC(=O)CCCC(CN(C)C)CC(=O)NC(C)C -MOL_01_000508,Nc1ccc(cc1N)/C=C/C(=O)n2cccc2 -MOL_01_000509,CCC(C)CN1CC(CO)OC1=O -MOL_01_000510,CC1(C)CC(C)NC1C(=O)O -MOL_01_000511,O=C(O)C(C)(C)CC(=O)N1CCCCCC1 -MOL_01_000512,NC(=O)CN(C(C)C)Cc1cccc(c1)C(O)(O)O -MOL_01_000513,O=C1CCC(=O)N1/N=C/C=C/c2ccccc2 -MOL_01_000514,Oc1cccc(O)c1NC2=NCCCN2 -MOL_01_000515,C1CCCCCN1C(=N)/C(CF)=N/Nc2ccc(O)cc2 -MOL_01_000516,CC(C)(C)NC(=O)Nc1cccc(N)c1N -MOL_01_000517,CCCCC(=O)NC/C(O)=C/OC(=O)Nc1ccccc1 -MOL_01_000518,CC(C)CCC(O)C(=O)OCC1CCNCC1 -MOL_01_000519,Cc1cccc(c12)cc(O)c(c2)N -MOL_01_000520,O=C1C=NC(=N1)c2ccc(F)cc2 -MOL_01_000521,CC(C)(C)/N=C(\O)NCc1ccccc1 -MOL_01_000522,C=C1N(C)C(=O)C=C(O)N1C -MOL_01_000523,Cc1ccccc1CCC(N)O -MOL_01_000524,CC(C)OCOCCN/C=C/C(=O)c1ccccc1 -MOL_01_000525,CC(C)=COCCC(C=C)OCCOC(=O)NCCC -MOL_01_000526,C=C/C=C(\CO)CCC(O)CC(C)COC(=O)C -MOL_01_000527,Oc1ccc(O)c(c1)N=C2OCCO2 -MOL_01_000528,n1cnccc1-c(cc(c23)=NC(=O)N=2)c(n3)-c4ccco4 -MOL_01_000529,c1cccc2c1C(=N)C(C3c(cc4)ccc4C)C2=NN(N35)CCCC5=N -MOL_01_000530,Cc1occc1-c2nnc(n2-c3ccc(C)cc3)CCC(=O)NCC4CCCO4 -MOL_01_000531,Cc1c(C)cc(c12)nc(CCCN)n(c2O)-c3ccc(F)cc3 -MOL_01_000532,NCCN1C(=O)COc(c12)cc(F)c(c2)-n(c3=O)c(=O)n(n34)CCCC4 -MOL_01_000533,c1cccc(c12)N=C3C2=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5F -MOL_01_000534,c1ccoc1C2N(CN)N(N=C(C)N2C(=O)C)CCc3cccc(c34)cccc4 -MOL_01_000535,NNC(=O)CCCc1cccc(c12)OCCC2 -MOL_01_000536,n1oc(=O)n(c12)C(C)=C(C)CC2(O)c3ccc(C)cc3 -MOL_01_000537,Cc(c1)ccc(NC2=O)c1C23Cc4c(N3)cccc4 -MOL_01_000538,O=C1OC(C)(C)ON(N12)CC(CC(C)C)OC2c3ccc(F)cc3 -MOL_01_000539,CNC(=O)c1cc(ccc1C)NC2(CC2)C(=O)NC(C=3)=Nc(c34)ccc5c4=CN=N5 -MOL_01_000540,O1NOc(c12)ccc(c2)-c3n[n+]([O-])nc(C)c3C(=O)OCCC(C)C -MOL_01_000541,c1ccccc1C(=O)c2cccc(c2)NC(=O)c3ccn(c34)C(CC4)c5cccnc5 -MOL_01_000542,CC(=O)c1ccc(cc1)-c2c(O)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_000543,Fc(c1)cccc1-c(n2)nc(c(c23)c(=O)n(C)c(=O)n3C)CCC(=O)NCc4ccco4 -MOL_01_000544,CCC(=O)OCN(CCC1)N(C12C)C(=O)OC2c3ccoc3 -MOL_01_000545,COc(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)NCCNc3ccnc(c34)cc(C)cc4 -MOL_01_000546,C=1C=CC(C12)=c3c(=NC2=N)ccc(O)c3-c4ccc(cc4)CCCN -MOL_01_000547,c1ccccc1CCn2c(nc(=O)cc2N)CCC(=O)Nc3ccc(F)cc3 -MOL_01_000548,CCOC(=O)C1=Nc(c(ON)ccc2)c2C(C13)OCCC3 -MOL_01_000549,COc1cc(cc(C(N)O)c1C)N2CCN(CC2)C(O)Cn3nc(C(F)(F)F)c(C)c3C -MOL_01_000550,c1cccc(c12)c3c(c(o2)=O)C(N=C(O3)C)c4ccc(ON)c(c4)ON -MOL_01_000551,CC(=O)Nc1nonc1-c2nnc(n2C)CCc3ccc(F)cc3F -MOL_01_000552,Cc1occc1-c2nnc(CCC(=O)NC(C)(C)C)n2C(C)c3ccccc3 -MOL_01_000553,CCOC(O)c1c(C(F)(F)F)nn(c12)c(O)cc(n2)CF -MOL_01_000554,NOc1ccccc1N2C(=O)CCC2c(n3)ccc(c34)cccc4 -MOL_01_000555,NOCCOC(=O)c1c(n[n+]([O-])nc1C)-c2ccc(o2)-c3ccc(F)cc3 -MOL_01_000556,CC(=O)NC1=NN(C(=O)C)C(C1)c(c(F)n2)cc(c23)cc(C)cc3 -MOL_01_000557,c1ccccc1-c2cc(C(F)(F)F)c(CN)c(n2)CCCN3CCOCC3 -MOL_01_000558,NOc1ccc(cc1ON)C(CC2)=Nn(c23)c(nn3)-c4ccccc4F -MOL_01_000559,Nc1ncc(cc1)CCc2c(ncnc2CC)-c3ccc(c(C)c3)C(O)N4CCCN(C)CC4 -MOL_01_000560,CC(O1)(C)CCn(n12)c(=O)c(=O)c3c2c(O)ccc3 -MOL_01_000561,CC(O1)(C)N=Nc(c12)c3c(c(c2)O)C(=O)CC(O3)c4ccccc4 -MOL_01_000562,C1CCc(n12)ncc(c2=O)C(=O)N3CCN(CC3)c4ccc(F)c(F)c4 -MOL_01_000563,Cc1ccc(F)c(c12)C3C(CN=N3)C(=N2)c4ccc(C(=O)O)cc4 -MOL_01_000564,C1CCc(c12)c3c(nc2N)cc(cc3)NCC(N)c(c4)ccc(c45)NNN5 -MOL_01_000565,COc1ccc(cc1)-n2nnc(c23)c(ncn3)CCC(=O)Nc4ccccc4F -MOL_01_000566,CCCOc1ccc(cc1)-c2cc(C(F)(F)F)c(CN)c(n2)CCC(=O)O -MOL_01_000567,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CC)CCC(=O)N3CCC(CC3)Cc4ccccc4 -MOL_01_000568,CC(C)Oc(c1)cc(OC(C)C)c(c12)c(=N)n3n(c2=N)CC(C)OC3 -MOL_01_000569,CN(C)CC(N=1)=NC(=O)C(C12)=Cc3c2cc(cc3)CCCCCCN4CCCCC4 -MOL_01_000570,Cc1occc1-c2nnc(n2CC3CCCO3)CCC(=O)c4ccccc4 -MOL_01_000571,NOc1ccc(cc1)C(CC2)=Nn(c23)c(=O)c(nn3)Cc4ccc(F)cc4 -MOL_01_000572,Cc1ccccc1OCc2nnc(n2C)CCC(=O)N3CCc(c34)cccc4 -MOL_01_000573,CNc(c1)cc(F)c(c12)ncc(CN)c2CCN3CCC(CC3)NCc(c4)ccc(c45)NCCN5 -MOL_01_000574,CC(C)(C)c(c1)ccc(c12)N(CC2)C(=O)C3=NC(=O)N=N3 -MOL_01_000575,Cc1occc1-c2nnc(n2Cc3ccco3)CCC(=O)c4ccc(F)cc4 -MOL_01_000576,CC(=N)c1c(O)c(CCC)c(cc1)OCCCCCC(=N)O -MOL_01_000577,Cc(c1)ccc(c12)N(O)C(C(F)(F)F)=C(N2O)C(=O)c3ccc(F)cc3 -MOL_01_000578,CCCc1cc(N)nc(c12)c(C)c(cc2)NC3CCCCC3N -MOL_01_000579,Cc1ccc(cc1)C2=CC=C(C2=3)C(=O)N=C(N3)N4CCCC(C4)C(=O)N -MOL_01_000580,NC(C1)C(C)(C)Oc(c12)cc(cc2)OC(N)c3ccc(N)c(N)c3 -MOL_01_000581,Cc1ccc(cc1)CCNC(=O)CCc2nc(ccc2CN)-c3cccc(c3)ON -MOL_01_000582,NOc1ccc(F)c(c12)CC3C(C2)N(N)CCO3 -MOL_01_000583,Cc1n[n+]([O-])nc(c1C(=O)OC(C)C)-c2ccc(ON)cc2 -MOL_01_000584,CC(C)(C)C(N=1)=CC(C12)=NC(=O)N(C2=O)CCN3CCN(CC3)c4ccccc4ON -MOL_01_000585,Cc1cc(C(F)(F)F)cc(C)c1-n2nc(CN)c(C(=O)C(F)(F)F)c2N -MOL_01_000586,c1ccccc1-n(nc2C)c(c23)CCC(=O)N3CCCC(=O)NCc4ccccc4 -MOL_01_000587,Cc1c(F)cccc1NC(=O)Cn2c(nc(c23)ccnc3)CCc4ccccc4F -MOL_01_000588,Cc(c1)ccc(c12)n(C)cc2-n3c(=O)[nH]c(=O)n3-c4cn(C)c(c45)cccc5 -MOL_01_000589,Fc1cc(ccc1)CN(C)c2c(N)ncnc2CCc3ccc(nc3)N4CCOCC4 -MOL_01_000590,CN1CCN(CC1)CC(O)N2c(cccc3)c3NC(O)c(c24)cccc4 -MOL_01_000591,FC(F)(F)c(c1)ccc(c12)N(O)C(=C(N2O)CN)c3ccc(F)cc3 -MOL_01_000592,O1NOc(c12)cc3c(c2)nc(cc3C)-c4ccccc4F -MOL_01_000593,Cc1cc(ON)nc(n1)N2C(=O)CCC2c3c(F)cccc3F -MOL_01_000594,Cc1c(C)ccc(c12)c(C(N)N)c(N)c(n2)-c3ccc(cc3)-c4ccc(NN)cc4 -MOL_01_000595,Cc1ccc(cc1)C(N2O)=C(CN)N(O)c(c23)cc(cc3)ON -MOL_01_000596,NC(N)c(c1)ccc(c12)nc(c(c2N)NC(C)C)-c3ccc(C(C)C)cc3 -MOL_01_000597,c1cncn1-c2cccc(c2C)N3CCN(C(O)C3O)Cc4ccc(F)cc4F -MOL_01_000598,CC(C)Oc(c1)cc(OC(C)C)c(c12)c(=O)n3n(c2=O)CC(C)OC3 -MOL_01_000599,Cc1cc(C)cc(c1)N2C(=O)CC(C2=O)Cc(n3)nc(C)c(c34)CCCC4 -MOL_01_000600,Cc1cccc(c12)n(N)c3c2ccc4c3C(=O)N=NC4=O -MOL_01_000601,CCCCCC(C)C(C)N(N=1)N=C(O)N(C12)N3N(C(O2)(C)C)CCCC3 -MOL_01_000602,Cn1cccc1Cc2nnc(n2-c3ccc(cc3)OC)CCC(N)Nc4cccc(C)c4C -MOL_01_000603,c1ccc(F)c(c12)c(F)c3c(n2N)c4c(n3)cccc4 -MOL_01_000604,c1cccc(c12)nc(n2CCOC)CCC(=O)Nc3ncc(C)c(C)c3C -MOL_01_000605,CC(O1)(C)CCn(n12)c(=N)c(=N)c3c2ccc(Cl)c3 -MOL_01_000606,Cc1cccnc1N(C(=NC2)CC2(C)C)C(=O)Nc3ccccc3 -MOL_01_000607,Fc1ccc(cc1)-c2nnc(n2CCC)CCc3nc(no3)-c4ccccc4OCC -MOL_01_000608,C1CCc(n12)ncc(c2=O)C(=O)Nc3cccc(C(F)(F)F)c3 -MOL_01_000609,c1ccccc1N2N(C)N(C(N)CC(C)(C)C)C(N=N2)c3ccccc3 -MOL_01_000610,NC1CCN(CC1)c2nccc(c2C)C(=O)NCC34CC5CC(C3)CC(C5)C4 -MOL_01_000611,CC(C)CC(CO)Nc1nc(nc(c1=2)=NC(=O)C2)OCc3ccccc3 -MOL_01_000612,c1cnccc1-c2nnc(n2CC)CCC(=O)Nc(c3)ccc(c34)OCCO4 -MOL_01_000613,Cc1occc1-c2nnc(n2C)CCC(=O)Nc3ccccc3N4CCCCC4 -MOL_01_000614,Cc1ccc(cc1)C2CC(c3ccc(F)cc3)=NN2C4=NC(=O)CC4 -MOL_01_000615,FC(F)(F)c(cc1)cc(c12)N(O)C(=C(C)N2O)C(=O)NCc3ccc(C(F)(F)F)cc3 -MOL_01_000616,O=C(O)c(c1)c(O)cc(c12)oc(c2NN)-c3cccc(F)c3 -MOL_01_000617,Cc(n1)ccc(c12)c(C)cc(C)c2OCC(O)NCCc3ccccn3 -MOL_01_000618,Nc1cccc(c1)-c(c23)c4nnc(n4)cc5ccc(n5)c(-c6ccccc6)c7nnc(n7)cc(n2)cc3 -MOL_01_000619,Nc1noc(c12)c(F)c3c(c2)CC(O3)C(O)O -MOL_01_000620,NOc1cc(ccn1)-c2ncnc(CC)c2CCc3ccc(N)nc3 -MOL_01_000621,Cc1ccc(c(F)c1)C23C(CCOC2)CCC(=N3)N -MOL_01_000622,CC(C)Nc(c1)ccc(c12)NC(c(c3)ccc(c34)NNN4)N(C(N)N)N2c5ccc(F)cc5 -MOL_01_000623,N=C(N)CNc(c(C)c1Cl)cc(c12)CC(C)(C2=N)c3ccccc3 -MOL_01_000624,COc1ccc(cc1OC)-c2nnc(n2C)CCC(=O)Nc3cc(C)on3 -MOL_01_000625,Cc1ccc(cc1)-c2cc(ccn2)C(C=3)=NC(C34)=NC=NC4=O -MOL_01_000626,NCCC(CN)CCc1nc(c(Cl)cc1CN)Cc(c2)ccc(c23)C(O)CC3 -MOL_01_000627,Cc(c1)ccc(c12)oc3c(c2=N)cc4c(c3ON)CCC(O4)(C)C -MOL_01_000628,Cc1ccnc(n1)N2C(=O)CCC2c3c(C)cccc3C -MOL_01_000629,C1CCC(N)=NC1(C)c2cc(ccc2C)NC(=O)c3cnc(F)cn3 -MOL_01_000630,N1=CC=CC(=NC2=O)N1C23Cc4c(C3)cccc4 -MOL_01_000631,c1cccc(c12)cc(-c(cc3)ccc3N)c(n2)C(N)c4ccc(N)cc4 -MOL_01_000632,CC(C)CCNc1cc(N)c(C(N)CC(C)C)c(N)c1C(N)CC(C)C -MOL_01_000633,Oc(c1)ccc(c12)nc3c2c4c(oc3O)ccc(c4)O -MOL_01_000634,CC(O1)(C)N=Nc(c12)cc(O)c3c2oc4c(c3=O)cccc4 -MOL_01_000635,Cn1cccc1Cc2nnc(n2-c3ccc(F)cc3)CCC(=O)Nc4cccc(F)c4 -MOL_01_000636,O1NOc(c12)cc3c(c2)N=C(CC3=O)c4ccccc4F -MOL_01_000637,CC(C)NCC(=O)NC(N=1)=Cc(c12)cc=3c(c2)N=C(C3)NC(=O)CNC(C)C -MOL_01_000638,CCn(c1O)ccc(c12)c3c(c2)nccc3OC -MOL_01_000639,CN(C)c1ccccc1CC(O)c2nccn2-c3cc(ccn3)OCC(F)(F)F -MOL_01_000640,Cc1cc(C)c(c(C)c1)NC(=O)CCc2nccn2-c3cccc(c3)ON -MOL_01_000641,NOc1ccccc1-n2ccnc2CCC(=O)Nc3cc(C(F)(F)F)ccc3F -MOL_01_000642,CC(C)OC(=O)c1cccnc1CCc(n2)cc(=O)n(c23)cccc3 -MOL_01_000643,CCC(C1=O)C(=O)N(CC)N(N12)CC(=N2)c3ccccc3 -MOL_01_000644,NOc1ccc(c(c1)OCCF)CC(O)c2ncccc2C(O)Nc3ccncc3 -MOL_01_000645,Cc(c1)c(C)cc(c12)N(O)C(=C(C(F)(F)F)N2O)C(=O)ON -MOL_01_000646,Cc1cnc(c(C)c1ON)CCC(C)(N2)Cc(c23)cccc3 -MOL_01_000647,Cn1cccc1Cc2nnc(n2-c3ccc(F)cc3)CCC(=O)NC4CCCC4 -MOL_01_000648,CN(C)CC(=O)NC(N=1)=Cc(c12)cc=3c(c2)N=C(C3)NC(=O)CN(C)C -MOL_01_000649,O=C1CCN(C12C)N(C(=O)CC2)OC(=O)c3cccc(c3)ON -MOL_01_000650,Cc1ccc(cc1)NC(=N)C(CC2(F)F)CN(C2)C(=N)c3cccc(c3)-n4cccn4 -MOL_01_000651,CCN(CC)CCN(C1O)C(C)=C(C)Oc(c12)cc(N)c(F)c2 -MOL_01_000652,C1CCc(c12)cc3c(c2)N(O)C(=NN3O)N4CCCCC4 -MOL_01_000653,O=C1N=NC(C)=C1C(c(cc2)ccc2C)C3C(=O)NC(=O)NC3=O -MOL_01_000654,Cc1ccc(cc1)C(C=2)=CC(C23)=NC(=NC3=O)NCc4ccccc4C -MOL_01_000655,c1cc(F)cc(c12)c(cc(=O)n2C)CCC(=O)NCc3ccc(F)cc3 -MOL_01_000656,c1ccoc1Cn2c(nnc2C)-c3cccc(ON)c3ON -MOL_01_000657,CCc(n1)cc(n12)CN(CC)CC2N3N=NN(C)N=N3 -MOL_01_000658,Nc(c1)cc(CO)c(c12)oc(c2)C(=NN34)C(CC3)CC4 -MOL_01_000659,NOc1cccc(c1ON)C(=O)N2CCN=C2CCc3cccnc3 -MOL_01_000660,Nc(c1)ccc(c12)CC(C)(C)CN2C3=CCCC3=O -MOL_01_000661,C1CCCc(c12)n(CCC)c(=O)nc2CCc3cccnc3 -MOL_01_000662,Cc1cccc(C)c1-c2cc(ON)cc(c2)C(C)CCc3c(C)nc(N)nc3N -MOL_01_000663,CCc1cc(=O)n(C)c(n1)CC(CC)C(=O)Nc2ccc(F)cc2 -MOL_01_000664,Cn1cccc1Cc2nnc(n2CCc3ccccc3)CCC(=O)Nc4cccc(F)c4 -MOL_01_000665,Oc1cc(O)c(C)c(c12)C(=O)OCCC(=O)/N=C(/C(=O)OC)CCC2 -MOL_01_000666,O=C(O)CC(C(=N)N1N)c(c12)cccc2 -MOL_01_000667,c1cccc(c12)N(O)C(=C(N2O)C(=O)ON)Cc3ccccc3 -MOL_01_000668,Cc1ccc(c(C)c1)-n2nnnc2CCC(=O)N3CCN(CC3)C(=O)c4ccco4 -MOL_01_000669,c1ccccc1Cn(c(c23)ncnc3F)c(n2)CCc4ccccc4 -MOL_01_000670,N=C(O)c1ccccc1-c(c(o2)=N)cc(c23)ccc(c3)O -MOL_01_000671,NOCCNC(=O)c(c1)ccc(c12)c(F)c3c(n2)CCC3 -MOL_01_000672,C1CCCN1c2cc(C)nc(n2)CCC(=O)c3ccccc3 -MOL_01_000673,C1CCc(n12)ncc(c2=O)C(=O)NCc3ccc(F)cc3 -MOL_01_000674,COc1ccc(C)cc1Nc2cc(n(n2)C)-c3ccc(C(=O)O)cc3 -MOL_01_000675,Cc1cc(C)cc(c1)CCc2noc(C(=O)NC(C)C)c2C(=O)NC(C)C -MOL_01_000676,CC=1C(C)=CC(C12)=NC(=NC2=O)c3cc(O)ccc3O -MOL_01_000677,FC(F)(F)c1cc(ccc1)C(=O)C(CC(=O)C)CC(=O)N2CCCC2C(=O)O -MOL_01_000678,COc1ccccc1NC(=O)Cc2nnc(n2C)CCC(=O)Nc3ccccc3F -MOL_01_000679,Cc1cccc(c1CN)OCC(O)CN2CCCCC2Cc3ccccc3 -MOL_01_000680,Fc1ccccc1-c2nnc(n2N)CCC(=O)NC(=O)NC3CCCC3 -MOL_01_000681,CCN1CCCC1CNC(=O)c2cc(F)c(N)cc2ON -MOL_01_000682,NNC(=N)Cc1cc(N)cc(c12)oc(cc2=N)-c3ccccc3 -MOL_01_000683,CC(=N)N1CCc(c12)cc(cc2)C(=N)CN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_000684,CC(C)CC(=O)OCC1=NON=C(C1=2)C(O)(CF)C(=O)C2 -MOL_01_000685,ON1OCc(c12)ccc(c2)NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F -MOL_01_000686,Cc(n1)nn(c12)c(cc(n2)C)CCC(=O)c3ccccc3 -MOL_01_000687,CCOC(=O)C1C(=O)N=C(c2ccccc2)N=C1c3ccccc3 -MOL_01_000688,Cc1cc(O)c(C)c(c12)OC(=N)c3c(O2)c(CON)c(O)cc3C -MOL_01_000689,Oc1ccc(cc1)C(C2)C(C(=O)OCC)C(C)=Nc(c23)cccc3 -MOL_01_000690,CNc1nc(ncc1F)Nc2cc(F)c(C(=O)O)cc2ON -MOL_01_000691,N=1C=NC(C12)=NC(=NC2=O)N3CCC(CC3)Oc4ccccc4C(F)(F)F -MOL_01_000692,CCOc1cc(ccc1ON)-c(o2)nc(=O)c(c23)cccc3 -MOL_01_000693,CCOC(=O)C(N=1)=NC(=O)C(C12)=C(C)C(=C2)C(=O)C -MOL_01_000694,Cc1ccc(cc1)NC(=O)NNC(=O)CCc2nnc(n2C)-c3ccccc3 -MOL_01_000695,c1ccncc1C2=NN(C(=C)C=C2)Cc3cccc(c3)-c4ncc(cn4)CCCCN(C)C -MOL_01_000696,Cc1cc(F)ccc1CN2CCN(C(O)C2O)c3cc(F)ccc3N4CCOCC4 -MOL_01_000697,O=C(O)C(N=1)=CC(=O)c(c12)c3c(cc2)=NC(C(=O)O)=CC3=O -MOL_01_000698,c1ccccc1-c2cc(OC)c(cc2)C(C)CCc3c(C)nc(N)nc3N -MOL_01_000699,CCCCOc1ccc(C(CC(=N)O)CC(=N)O)cc1ON -MOL_01_000700,COc1ccc(cc1)-c2cc(C3CC3)nc(c2CN)CCC(=O)O -MOL_01_000701,CC(=O)Nc1ccc(cc1)-n2cc(nc2C)-c3ccccc3 -MOL_01_000702,Cc1cc(C)c(CN)c(n1)CCc2nnc(o2)-c3ccccc3 -MOL_01_000703,CC(C)(C)c1ccc(NCNN)c(c1)C2(c3ccccc3)C(N)=Nc(c24)cccc4 -MOL_01_000704,O=C1N(O)C(=O)N=C2C=C(C3=C12)CCCC3 -MOL_01_000705,NOc1cccc(c1)C(O)c2c(O)c(cc(c23)cccc3)-c4cccnc4 -MOL_01_000706,Cc1ccccc1NC(=O)c2c(F)nc(C)c(F)c2C -MOL_01_000707,O=C1N=CN=C(C1=2)C=CC2C(=O)NCc3ccc(cc3)CN4CCC(O)CC4 -MOL_01_000708,CCCCNC(C)c(c(c1)ON)cc(c12)N=NC(O2)(C)C -MOL_01_000709,Fc1cccc(c1)CCc(nc(c23)nccc3)c(n2)OCCN4CCCC4 -MOL_01_000710,Nc1cc(O)cc(c12)oc(cc2=O)Nc3cc(O)cc(=O)o3 -MOL_01_000711,CCOc(c1)ccc(c12)cc(CN)c(n2)CCC(=O)N3CCCC3 -MOL_01_000712,NCc1c(N)c(CN)c(c(C)c1CC)-c2ccc(OC)cc2 -MOL_01_000713,CC(C)c1ccc(cc1)-n2ncc(C)c(c2=N)Oc3ccc(ON)cc3 -MOL_01_000714,COc1c(OC)cc(cc1OC)C(=O)NCc2nnc(o2)CCC(=O)N3CCC(C)CC3 -MOL_01_000715,c1cccc(c12)ccc(c2)CNc3c(C)c(ccc3)C4(NN)CCNCC4 -MOL_01_000716,CCOC(=O)c1cnn(N)c1NC(=O)c2ccc(F)cc2F -MOL_01_000717,Nn1ccnc1CC(C(=O)N2)CCc(c23)cccc3 -MOL_01_000718,CC(C)(C)c1coc(c12)c3c(cc2C)oc(=N)c(c3C)CC(=N)O -MOL_01_000719,Cc1cccc(c1C)N2CCN(CC2)CCCCNC(N)c3ccc(cc3)-c4cccnc4 -MOL_01_000720,C1CN(N)CCC1(CN)c(c2)ccc(c23)cccc3 -MOL_01_000721,Oc1ccc(cc1)-c2nnc(n2C)CCC(=O)c3ccccc3 -MOL_01_000722,c1c(O)cc(O)c(c12)C(=O)/N=N/C(=O)CCC(C)OC(=O)C2 -MOL_01_000723,NCc1ccc(cc1CN)-c(c2N)ccc(c23)cccc3CCC4CCCCC4 -MOL_01_000724,OCC(C1)(CO)C(=O)N(C1=2)CN(CN2)C(c3ccccc3)c4ccccc4 -MOL_01_000725,c1cccc(c12)Nc3c(C2)nc(nc3C)N4CCOCC4 -MOL_01_000726,NN1CCCC(C1)c(c2)ccc(c23)C(CC3)N(N)Cc4ccc(F)cc4 -MOL_01_000727,CCCc1nnc(n12)CC(OC(C)C)C(=N2)c3ccccc3 -MOL_01_000728,NC(N)C(C)(C)Nc1ccc(cc1)C(N)c(c(n2)N)cc(c23)c4c(cc3)cccc4 -MOL_01_000729,c1cccc(c12)nc(C)c(n2)CCC(=O)NC(=O)Nc3cccc(F)c3 -MOL_01_000730,CC(=O)n1nnc(c12)c(C)c3c(c2)cccn3 -MOL_01_000731,CC1=CC=C(C1=2)C(=O)C=C(N2)NC(=O)c3ccc(F)cc3 -MOL_01_000732,Cc1cccc(c1)-c2nc(c(o2)C)CC(O)CC(=O)NCc3ccc(F)cc3 -MOL_01_000733,FC(F)(F)c1ccc(cc1)-c2c(N)c(on2)-c3ccccc3 -MOL_01_000734,CCCC(=O)N1N=C(CC1C(=O)O)c2ccc(ON)cc2 -MOL_01_000735,Cc(n1)ccc(c12)c(F)cc(F)c2OCC(=O)N3CCOCC3 -MOL_01_000736,c1ccccc1CCN(c2cc(F)c(C)cc2)OC(N)c3ncccc3O -MOL_01_000737,CN1C(=O)N(ON)N(ON)C(=O)N1c2ccccc2 -MOL_01_000738,Oc1c(C)ccc(n12)nc(c2)CC(=O)c3ccccc3 -MOL_01_000739,Oc(c1)c(C)cc(c12)CC=NC(=N2)C3CC3c4ccc(ON)cc4 -MOL_01_000740,Cn1nnnc1CC(c2ccccc2)C(=O)Nc3ccc(F)cc3 -MOL_01_000741,CN(C)c1ccccc1CNc2nnnn2-c3cccc(F)c3F -MOL_01_000742,Nc1cc(ON)c(cc1C)C(=O)OCCN2CCN(CC2)c3ccccc3 -MOL_01_000743,NOc1ccc(cc1ON)C(=O)N2CCN=C2CCc3cccnc3 -MOL_01_000744,FCC12N3N(N=NN=N3)CC(N1)N4N2N=NN=N4 -MOL_01_000745,CCOC(N)c1c(C)nc(N)nc1COC(N)c2ccc(cc2)OC(C)C -MOL_01_000746,Cc(c1)ccc(c12)nc(c(c2)CN)CCC(=O)NCC3CCCO3 -MOL_01_000747,Cc(c1)ccc(c12)nc(C)cc2C(N)NCC(N)c3ccc(cc3)-c4ccccc4 -MOL_01_000748,CCOc1cc(F)c(cc1ON)CN(CC2)CC23CCCNC3=O -MOL_01_000749,Fc1ccc(cc1)C(=O)CCc2n(C(C)C)c(nn2)CNC(=O)c3ccccc3F -MOL_01_000750,Cc1ccc(cc1O)NC(=O)COc2cccc(c2)C3(C)CCCC(=N3)N -MOL_01_000751,Oc1cc(ccc1)C2N(CN)N(NC(=O)C2)CCc3ccccc3 -MOL_01_000752,CCc(c(n1)C)cc(c12)cc(cc2)C(=N)Cc3ccc(ON)c(c3)ON -MOL_01_000753,NOCc1ccc(c(F)c1)CCc2cc(F)ccc2OCC(N)O -MOL_01_000754,CN1CCC(CC1)Oc2ccc(F)cc2NC(O)Nc3cnc(cn3)CN -MOL_01_000755,c1ccccc1C(NC2=N)c(c23)ccc4c3c(NN)ccc4NN -MOL_01_000756,O=C1N=CN=C(C1=2)C=CC2C(=O)NCc3ccc(cc3)CN4CCCC4 -MOL_01_000757,CC(C)C1=NN=C(C1=2)C(=O)N=C(N2)Cc3cccc(Cl)c3 -MOL_01_000758,NOc(c1)ccc(c12)cc(CN)c(n2)CCC(=O)N3CCCC3 -MOL_01_000759,Oc1c(N)cc(cc1N)CC(C(=O)O)C2CCCCC2 -MOL_01_000760,NOC(=O)N(C12)N(CC(C1)CC2)c(c3)ccc(c34)cccc4 -MOL_01_000761,Nc(c1)ccc(c12)oc(c2)C(=NN34)C(CC3)CC4 -MOL_01_000762,NNc1ccc(F)c(c1)-c2ccc(cc2)CNc3cccc(c3)C(CC(N)N)C4CC4 -MOL_01_000763,Cc1ccc(cc1)-n2c(C)nnc2CCC(=O)Nc3cccc(C)c3C -MOL_01_000764,NN1CCN(CC1)C2=C(F)C(=O)N(C2=O)Cc3ccccc3 -MOL_01_000765,CN(C)C(=O)c1ccc(cc1)-c2ccnc(C)c2CCc3ccc(N)nc3 -MOL_01_000766,Cc1cc(ccn1)C2CCCN(C2)C(O)(O)c3cn(C)cn3 -MOL_01_000767,CCOc1ccc(F)c(n1)C(=O)N2CCCCCC2 -MOL_01_000768,NOc1ccccc1-n2nnnc2CCC(=O)Nc3ccccn3 -MOL_01_000769,Cc(c1)ccc(n12)nc(nc2=O)CCC(=O)c3ccc(Cl)cc3 -MOL_01_000770,c1cccc(c12)nc(C)c(n2)CCC(O)NC(O)Nc3ccc(F)cc3 -MOL_01_000771,c1cccc(c12)n(O)n(c(=O)c2=O)CC3CCCCC3 -MOL_01_000772,Fc1c(F)cccc1C(O)NCC(C(CC2)CCC2(F)F)c3cnc(C(F)(F)F)nc3 -MOL_01_000773,Cc1ccc(C)c(c1)C(N)CCC(N)N2CCN(CC2)c3cccc(C(F)(F)F)c3 -MOL_01_000774,NCC(C)OC(=O)c1c(F)n(nc1C)Cc2ccccc2 -MOL_01_000775,Cc1cc(C)cc(c1)NC(=O)c2cccnc2CCc3ccnc(C)c3 -MOL_01_000776,Nc1ccccc1-c2nnc(nc2O)CCc3ccccc3F -MOL_01_000777,CC(C)(C)NC(O)C1CCN(CC1)Cc2cccc(c2)NC(O)Cc3ncccn3 -MOL_01_000778,C=C(N=1)N=c(c12)ccc(c2)CCCN3CCN(CC3)c4cccc(c4)CN -MOL_01_000779,c1cccc(c12)N(CC2(C)C)C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_000780,CC1(N)CC(N)(C1)c2ccc(cc2)-c(nc(n34)c5c(NC4)cccn5)c3-c6ccccc6 -MOL_01_000781,CC(=O)Nc(n1)cn(c12)nc(cc2)-c3cnc(C)c(c3)NC(O)(O)c4ccc(C)cc4 -MOL_01_000782,Cc1ccc(cc1C)C2(CCNCC2)NC(O)c3cc(c(o3)C)-c4c(N)cnn4C -MOL_01_000783,NCc1cccc(c12)N(CC2)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_000784,Cc1ccc(cc1)C2(CCNCC2)NC(O)c3cc(c(o3)N)-c4c(N)cnn4C -MOL_01_000785,CNc(n1)ccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_000786,NCc1cccc(c12)N(CC2)C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_000787,CC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)ccnc6 -MOL_01_000788,c1cccc(c12)CC(CO)N2C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_000789,c1ccccc1CC(N)CNc2cncc(c2)-c(c3)ccc(c34)cncc4 -MOL_01_000790,C1COCCN1c2cc(O)nc(n2)CC(O)N3CCc(c34)c(ccc4)N5CCOCC5 -MOL_01_000791,C1COCCN1c2cc(O)nc(n2)CC(O)Nc3ccccc3OCCN4CCCCC4 -MOL_01_000792,CNc(c1)c(NC)cc(c12)ncc3c2cc(nc3N)-c4cncc(c4)NCC(N)Cc5ccccc5 -MOL_01_000793,CNc(c1)c(NC)cc(c12)ncc3c2cc(nc3N)-c4cncc(c4)NCC(N)Cc5ccc(C)cc5 -MOL_01_000794,C1CNCCC1C(c2ccc(N)cc2)NC(N)c(c3)ccc(c34)cncc4 -MOL_01_000795,c1cccc(c12)CC(C)N2C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_000796,c1cccc(c12)c(cn2C)CC(N)CNc3cncc(c3)-c(c4)ccc(c45)cncc5 -MOL_01_000797,c1cnccc1CCc2cc(cnc2C)NCC(N)CC3CNc(c34)cccc4 -MOL_01_000798,C1CCC1(N)c2ccc(cc2)-c(c3-c4ccncc4)nc(n35)c6c(NC5)cccc6 -MOL_01_000799,CC(C)(C)Nc1cccc(c12)N(CC2)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_000800,Cc1c(C)ccc(c12)N(C(C2)C)C(=C)Cc3nc(C)c(C)c(n3)N4CCOCC4 -MOL_01_000801,C1CC1C2(N)CC(C2)(N)c3ccc(cc3)-c(c4-c5ccccc5)nc(n46)c7c(NC6)cncc7 -MOL_01_000802,c1cccc(c12)CC(C)N2C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_000803,Cc1cccc(c12)NCn3c2nc(c3-c4ccncc4)-c5ccc(cc5)C6(N)CC(N)(C6)C7CC7 -MOL_01_000804,CC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)ccc(c6)CN -MOL_01_000805,c1cccc(c12)N(CC2C)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_000806,Cc(c1)ccc(c12)CC(C)N2C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_000807,CC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)ccc(c6)C(N)N -MOL_01_000808,c1ccc(N)c(c12)CC(C)N2C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_000809,Cc1c(C)ccc(c12)N(C(C2)C)C(O)Cc3nc(O)c(C)c(n3)N4CCOCC4 -MOL_01_000810,c1cccc(c12)c(cn2C)C(CN)Nc3cncc(c3)CCc4ccncc4 -MOL_01_000811,CCNc1cccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(N)(C6)C7CC7 -MOL_01_000812,C1CNCCN1c2cc(N)nc(n2)CC(N)N3CCc(c34)c(N)ccc4 -MOL_01_000813,C1COCCN1c2c(C)c(C)nc(n2)CC(O)N(C(C)C3)c(c34)cccc4 -MOL_01_000814,C1COCCN1c2cc(O)nc(n2)CC(O)N(C3)CCc(c34)cccc4 -MOL_01_000815,Cc1cccc(c1O)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000816,c1ccc(C(C)(C)C)c(c12)CC(C)N2C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_000817,Cc1cccc(c12)N(CC2)C(N)Cc3nc(N)cc(n3)N4CCNC(C)C4 -MOL_01_000818,Cc1cccc(c12)N(CC2(C)C)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_000819,C1COCCN1c2nc(nc(O)c2C)CC(O)N(C(C)C3)c(c34)cccc4 -MOL_01_000820,Cc1ccc(cc1)CC(N)C(O)N2CCN(CC2)c3ncnc(c34)CC(C4)(O)O -MOL_01_000821,C1CNCCC1C(c2cc(C)c(C)cc2)NC(N)c(c3)ccc(c34)cncc4 -MOL_01_000822,C1CNCCN1c2nc(nc(N)c2C)CC(N)N(C(C)C3)c(c34)cccc4 -MOL_01_000823,c1cccc(c12)cccc2CC(N)CNc3cncc(c3)CCc4ccncc4 -MOL_01_000824,Cc(c1)ccc(c12)c3n(CN2)c(-c4ccccc4)c(n3)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_000825,CCOc1cccc(c1)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000826,CCC1CN(CCN1)c2cc(N)nc(n2)CC(N)Nc3ccc(C)cc3 -MOL_01_000827,CC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)cc(cc6)C(N)N -MOL_01_000828,CC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)cc(cc6)CN -MOL_01_000829,CCC1CN(CCN1)c2cc(N)nc(n2)CC(N)N3CCc(c34)c(C)ccc4 -MOL_01_000830,CCNc1cccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_000831,Cc1c(C)ccc(c12)N(C(C2)C)C(N)Cc3nc(C)c(C)c(n3)N4CCNCC4 -MOL_01_000832,CN(C)C(N)c(c1)ccc(c12)c3n(CN2)c(-c4ccccc4)c(n3)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_000833,Cc1cccc(c1)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000834,c1cncc(c12)cc(OC)c(c2)C(O)NC(c3ccc(C)c(C)c3)C4CCNCC4 -MOL_01_000835,Cc1cc(ccn1)-c2cc(O)nc(n2)CC(O)N3CCc(c34)c(C)ccc4 -MOL_01_000836,C1CNCCN1c2c(C)c(C)nc(n2)CC(N)N(C(C)C3)c(c34)cccc4 -MOL_01_000837,COc1cccc(c1)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000838,Nc(c1)ccc(c12)N(CC2)C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_000839,Cc1cccc(c12)N(CC2)C(N)C(C)c3nc(N)cc(n3)N4CCNCC4 -MOL_01_000840,COc1ccccc1NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000841,C1COCCN1c2nc(nc(O)c2C)CC(O)N(C(C)C3)c(c34)cccc4N -MOL_01_000842,C1CNCCN1c2nc(nc(N)c2C)CC(N)N(C(C)C3)c(c34)cccc4N -MOL_01_000843,Cc1cc(C)cc(c1)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000844,Nc1c(C)ccc(c12)N(C(C2)C)C(O)Cc3nc(O)c(C)c(n3)N4CCOCC4 -MOL_01_000845,Cc1ccc(cc1C(C)C)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000846,Cc(c1)c(C)cc(c12)CCN2C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_000847,Cc1ccc(cc1)C(N)(N)Nc2cc(cnc2C)-c(c3)ccc(n34)nc(c4)NC(C)N -MOL_01_000848,Cc1cccc(c12)N(CCC2)C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_000849,CC(C)CCCC(C)(N1)CCc(c12)cc(N)cc2N -MOL_01_000850,Cc1cccc(c1)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000851,c1nc(C)cc(c12)cc(cc2)C(N)NC(c3ccc(C)c(C)c3)C4CCNCC4 -MOL_01_000852,c1cccc(c12)cccc2CC(N)C(N)Nc3cncc(c3)CCc4ccncc4 -MOL_01_000853,C1CNCCN1c2cc(N)nc(n2)CC(N)N(C3)Cc(c34)cccc4 -MOL_01_000854,CC(C)(C)c1cccc(c1O)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000855,Cc1c(C)c(N)cc(c12)C(N)CC(N2)(C)CCCC(C)C -MOL_01_000856,Cc1ccc(cc1)C(O)(O)Nc2cc(cnc2C)-c(c3)ccc(n34)nc(c4)NC(C)O -MOL_01_000857,COc1cc(C)ccc1NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000858,Cc1cccc(c1C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000859,Cc1cccc(c12)N(CC2)C(O)Cc3nc(O)cc(n3)-c4ccncc4 -MOL_01_000860,CC(C)CCCC(C)(N1)CCc(c12)ccc(N)c2N -MOL_01_000861,Cc1ccc(cc1C)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000862,c1ccccc1CC(N)CNc2cncc(c2)-c(c3)ccc(c34)NC(C4)N -MOL_01_000863,Nc1ncnc(c1N)N2CCN(CC2)C(N)C(N)Cc3ccccc3 -MOL_01_000864,Cc1ccc(cc1)C(N)(N)Nc2cc(cnc2N)-c(n3)ccc(n34)ncc4 -MOL_01_000865,CC(C)(C)c1cccc(c1N)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000866,Cc1ccc(c(C)c1)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000867,C1CNCCC1C(c2cc(C)c(N)nc2)NC(N)c(c3)ccc(c34)cncc4 -MOL_01_000868,c1ccccc1CC(N)CNc2cncc(c2)CCc3ccncc3 -MOL_01_000869,COc1c(C)ccc(c1C)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000870,CCOC(O)Cc1nc(O)cc(n1)N2CCOCC2 -MOL_01_000871,Cc1c(N)cc(cc1C)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000872,Cc1ccc(cc1CN)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000873,C1CNCCC1C(c2cc(C)c(C)cc2)NC(O)c(c3)ccc(c34)cnnc4 -MOL_01_000874,Nc1cccc(c1)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000875,C1COCCN1C2=CC(=C)N(C)C(=N2)CC(=O)N(C(C)C3)c(c34)cccc4 -MOL_01_000876,Nc1ncnc(c1N)N2CCN(CC2)C(O)C(N)Cc3ccccc3 -MOL_01_000877,CNc1cc(C)ccc1NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000878,CC(C)(C)Nc1cc(ccc1C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000879,O=C(N=1)N=c(c12)ncnc2N(CC3)CCC3(N)C(=O)NCc4ccc(Cl)cc4 -MOL_01_000880,Cc1ccc(cc1)NC(N)C(C(C)C)c2nc(N)cc(n2)N3CCNCC3 -MOL_01_000881,CCc1cc(ccc1C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000882,Cc1cccc(c1N)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000883,Nc1cccc(c1)CC(N)CNc2cncc(c2)CCc3ccncc3 -MOL_01_000884,O=C(N=1)N=c(c12)ncnc2N(CC3)CCC3(N)Cc4ccc(Cl)cc4Cl -MOL_01_000885,CNCCNc1cc(C)ccc1NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000886,c1nc(N)cc(c12)cc(cc2)C(O)NC(c3ccc(N)c(N)c3)C4CCNCC4 -MOL_01_000887,CNCc1cc(ccc1C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_000888,Cc1ccc(c(N)c1)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_000889,C1COCCN1C2=CC(=C)N(C)C(=N2)CC(=O)N3CCc(c34)c(Cl)ccc4 -MOL_01_000890,C1COCCN1C2=CC(=C)N(C)C(=N2)CC(=O)N3CCc(c34)c(F)ccc4 -MOL_01_000891,Cc1cccc(c12)N(CCN2)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_000892,Nc1cccc(c1N)C(C2CCNCC2)NC(O)c(c3)ccc(c34)cncc4 -MOL_01_000893,Nc1ccc(cc1N)C(C2CNC2)NC(O)c(c3)ccc(c34)cncc4 -MOL_01_000894,CC(C)(C)c1ccc(cc1)CC2(N)CCN(CC2)c3ncnc(c3=4)=NC(N4)=O -MOL_01_000895,c1ccccc1C(c2ccccc2)C(N)CNc3cncc(c3)CCc4ccncc4 -MOL_01_000896,Cc1ccc(c(C)c1)CC2(N)CCN(CC2)c3ncnc(c3=4)=NC(N4)=O -MOL_01_000897,Fc(n1)nc(F)c(c12)nc(c(=O)n2C(F)F)-c3ccc(CF)nc3 -MOL_01_000898,c1cc(F)cc(c12)CC(C)N2C(O)Cc3nc(O)c(F)c(n3)N4CCCCC4 -MOL_01_000899,C1CCCCN1c2cc(O)nc(n2)CC(O)N3CCc(c34)ccc(F)c4 -MOL_01_000900,C1CCNN1CCNC(O)c2ccc(cc2F)-c3cnc(n34)ccc(c4)NCN5CC5 -MOL_01_000901,FC(F)(F)Cc1cccc(c1)-n2cnc(c23)ccc(n3)NC4CCNCC4 -MOL_01_000902,c1ccccc1-c2cnc(n23)c4c(cccc4)c(c3)CNC5CNNCN5 -MOL_01_000903,c1nc(F)ccc1Cc2c(O)c(-c(cn3)ccc3OC)nc(c24)cnc(c4)N5CCNCC5 -MOL_01_000904,CCc1ccc(NC)c(c1)CNC(O)C(NC)n(c2O)cc(F)c(c23)nc4c3cccc4 -MOL_01_000905,O=C(F)CN(C)c1ncnc(c12)ccc(c2)-c(c3)ccc(c34)CCN4 -MOL_01_000906,OC1NCCNc(c12)n(C)c3c2ccc(c3)-n4cnc(cc4=O)NCc5ccc(F)cn5 -MOL_01_000907,C12NC(N)C=C(C1)c3c(C2)nc4c(ccc(F)c4)c3NCNCN5CCOCC5 -MOL_01_000908,C1CC(C123)(CC3)N(C(C)C)c4c5c(ccc(C)c5F)cc(n4)c6cnc2nc6 -MOL_01_000909,CCN(C)NCCNC(F)c1nc(-c2ccc(NC)c(F)c2)c(F)c(c13)n(C)c4c3cccc4 -MOL_01_000910,c1ccccc1-n(c2O)c(CN(CF)CC)nc(c23)nc4c3CCCC4 -MOL_01_000911,CN(C1)CCC(C12)c3c(nc(OF)cc3)N2c4ccc(CF)nc4 -MOL_01_000912,OC1CCNc(c12)nc3c(c2F)c4c(n3F)CCCC4 -MOL_01_000913,Fc1ccc(cn1)N(C23)CN(C2)c4n(O3)nc(n4)-c5cccnn5 -MOL_01_000914,n1ccccc1NN(Nc2ccccc2)c(c(c34)ccn3N)cc5c4C6=CCC5N6 -MOL_01_000915,CNc1ccc(cc1)-n(c2O)c(OCCF)nc(c23)nc4c3CCC4 -MOL_01_000916,CN(C)C(N1)NCc(c12)n(c3c2cccc3)C(F)(O)c4ccc(F)cc4 -MOL_01_000917,CNCCCOc1cccc(c1)C2=NC(=O)NC(C23)c4c(C3=O)cccn4 -MOL_01_000918,FCc1cccc(c1)-c(nc(c23)cncc3)n2C4CCN(NC4)C5(F)CCNCCNC5 -MOL_01_000919,C12NC(=O)C(C(C)(C)C)n3c4c(cc3)c5c(ncn5cn4)C6CCC(CC6)CN(C1)CC2 -MOL_01_000920,c1ccncc1-n(c2=O)c(cc(c23)cncc3C)Cn4cc(c(c45)c(F)ncn5)CCC6CC6 -MOL_01_000921,Cc1cn(C)c(c12)CN(C)C(O)c3c(cc(F)cc3)C(C)Cc4c(F)ccc2n4 -MOL_01_000922,N1CNc(c12)cnc3c2n4c(ccc4)C(N=C3)c(c5)ccc(c56)NCN6 -MOL_01_000923,CC1C=NC(CC1)n2c(cccc3)c3c(c24)cnc(n4)Nc(c5)ccc(c56)CN(CN6)CCN -MOL_01_000924,CNc1ncnc(c12)n(cn2)C3CN(CC(CF)N3)Cc4ccc(cc4)-c5ccccc5 -MOL_01_000925,Fc1ncnc(c1)CCc2ccc(cc2F)-c3cn(c(c34)ncnc4F)C5CCCN(C5)C(O)CC -MOL_01_000926,c1cccc(c12)c3c(c(O)n2CC)cc(n3)C(=O)N(CCN(C)C)Cc4ccccc4 -MOL_01_000927,C1CNCN1CCNC(=O)C(F)n(c2O)nc(F)c(c23)nc4c3cccc4 -MOL_01_000928,c1ccccc1C(C2(C)C)N(C(=O)C2)C3CCN(CN3)c4cnc(F)c(c4)-c5ccccn5 -MOL_01_000929,CN1CCN(CC1)CC(C2)C=Nc(c23)cc(cc3)-n(c4O)cnc(c45)cc(n5)-c6ccc(F)cc6 -MOL_01_000930,C1=CCC=CC1n2c3cc(cc(ncn4)c3c4[nH]c(ccc5)c(c5n26)NC6)CCCCN7CC=NC7 -MOL_01_000931,c1ccccc1-n(c(F)n2)c(O)c(c23)c4c(n3)COC(F)C4 -MOL_01_000932,c1ccccc1C(O)Nc(n23)c(nc3-c4cccnc4)CNc5ccc(N2C)cc5 -MOL_01_000933,OC(Cl)(Cl)c(c1)ccc(c12)c(nc(n2)F)N3CCNCC3 -MOL_01_000934,NCc1ncccc1-c2c(C(NC(F)(F)F)C(F)O)c(F)nc(c23)cncc3 -MOL_01_000935,n1cccc(c12)ccc(c2)Cn(cn3)c(O)c(c34)c5c(n4)CC(CC5)NCC6CC#CC6 -MOL_01_000936,n1ccnc(c12)c(c(c(=O)n2C)C(F)CC)Nc3cccc(c3)-c4cncnc4 -MOL_01_000937,FCCNCN1Cc(cc2c(n3)NCN2)c3c(c14)nccc4CF -MOL_01_000938,CCC(F)c1ncnc(c12)C3=C(CC2)C(F)CN=C(C3)n4ccc(c4)C5CNC5 -MOL_01_000939,FCc1cc(NF)ccc1CN(C2F)CC(F)n(c23)c4c(n3)cccn4 -MOL_01_000940,Cc1cc(C(F)O)cnc1-n2c(cnc2CNC(F)O)-c3ncc(cn3)-n4ccnc4C(F)(F)C -MOL_01_000941,FC(C)(C1)CCc(c12)nc3c2c(O)n4c(n3)CCC4 -MOL_01_000942,O=C1CNc(cc2F)ncc2N(F)C(F)c(cc3)c(c4c13)C=CC(F)(F)N4 -MOL_01_000943,CCCn(c(=O)n1C)c(F)c(c12)nc(n2)-c3ccc(cc3)N(F)NCc4ccc(cn4)NC -MOL_01_000944,NCc1ccc(cc1)C2=c(c=3c(cc4)C=CC3)c4CC(C2=5)NCC5O -MOL_01_000945,FCCCc(c1CC)ccc(c12)NC(NCO)c3c2ccc4c3C(F)CC(F)(F)N4 -MOL_01_000946,c1ccccc1-c2ccc(cc2)CN3C=C(CF)NC(C3)n4cnc(c45)c(ncn5)NC6CC6 -MOL_01_000947,c1c(F)nc(F)cc1-c2nc(n(c23)CC(F)NCC3)-c4ccc(F)c(c4)NCC5(F)CNC5 -MOL_01_000948,Cc1ncc(cc1C(F)C)-c(c(c23)CCNC3)n(c2)-c4cnc(nc4)-c5ccccc5 -MOL_01_000949,FCc1ncc(cn1)-c(n2)ccc(n23)ncc3-c4ncncn4 -MOL_01_000950,c1cccc2c1C=c(c2c(c34)C(O)NC3N)c5c4c6c(N=5)cccc6 -MOL_01_000951,c1cnccc1C(=O)CCc2c(C(F)F)n(c3c24)n(F)c(c4)cn3 -MOL_01_000952,CNc1cc(ccn1)C(NC2O)Nc(c23)n(c(n3)O)-c4ccccc4 -MOL_01_000953,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CCC)NCC(O)N3CCCc(c34)cccc4 -MOL_01_000954,c1ccccc1C(=C2)C(C(=O)C(NC3)N=CC3=C24)=C4NC(F)Nc5ccccc5 -MOL_01_000955,CCNc(cc1)cc(c12)cc(c(n2)F)C(N3CCN(C=C3)CCC)c4nccn4C5CCCCC5 -MOL_01_000956,O=CC(F)Nc(c1)ccc(c12)N=C3C2=NC(=C3C(=O)F)c4ccc(cc4)Nc5ccccc5 -MOL_01_000957,NCCCc1n(C)c(c(n1)F)C2CC(=CN2C(N)O)c3cccc(c34)cccc4 -MOL_01_000958,Fc1cccc(c12)C=3C(=C2C(C)O)C(O)c4c(C3O)cccc4 -MOL_01_000959,CC(C)c(n1C)c(CF)c(c12)C(=O)C(CC2=O)N3CC3F -MOL_01_000960,CNc1cncc(n1)-c(c(O)c(c23)cccn3)n2CC(=O)Nc4ccc(F)c(F)c4 -MOL_01_000961,C1CCCn(c12)c(F)c3c(n2)nc(c3C)C(F)NCCc4ccc(F)cc4 -MOL_01_000962,CCn1cc(F)c(c12)CC(NC2)Nc(n3)cn(c34)cccc4-c5ccc(F)cc5C -MOL_01_000963,C1NCCc(c12)c3c(n2)nc(n(c3F)N)NCC(O)c4ccccc4 -MOL_01_000964,Fc1ccccc1-n(cc2)cc(c23)nc4c3cc5c(n4)CCCC5N -MOL_01_000965,CC(C)CCc1c(N)c(ccc2)c3n2CCc(c4c13)ccnc4 -MOL_01_000966,c1ccccc1C23c4c(cccc4)C(O)=C2CCN3C(O)c5ccccc5 -MOL_01_000967,n1cccc(c12)C(=O)c3c(C2O)c(F)cc4c3n(F)c5c4cccc5 -MOL_01_000968,NCC(=O)Nc(c1)cnc(c12)C(O)(C(F)(F)F)c3c2cccc3 -MOL_01_000969,Fc1ccc(cc1F)-c2c(C(F)NCF)c(N3CNCCN3)nc(c2)-c4ccccc4 -MOL_01_000970,FC1(Cl)C(=O)NC(N12)Nc3c(C2)cc(cc3F)-n4cc(F)nc4F -MOL_01_000971,c1cccc(c12)nc3n2c(c4c(c3CN)CCN4)Nc5ncc(cn5)C(F)O -MOL_01_000972,CNc1nc(F)nc(c12)nc(cc2)-c3ccc(F)cc3F -MOL_01_000973,n1ccnc(c12)nc3c(c2C(F)O)NCCN3Cc4c(F)cccc4F -MOL_01_000974,C1CCC=CN1c2nc(nc(c23)cc(CC)c(c3)NC)N4CCC(CC4)N5CCCC5 -MOL_01_000975,CCc1ccc(cc1)-n(c2O)ccc(c23)c4c(n3)nccc4N(C)C -MOL_01_000976,NN(F)c1cccc(c1)C2C(=C(F)CNC3)C3=NC(=C24)CCCC4O -MOL_01_000977,c1ccnc(C2)c1C(C(N23)CNC3=O)/C=C/c(n4)ccc(c45)cc(NF)cc5 -MOL_01_000978,CNC(F)c1cc(ccc1F)NC(C)(C)C(=O)NC(N=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=C4 -MOL_01_000979,c1ccccc1N(C2O)C(=O)C3=CC(C4=C23)=Cc5c4cccc5 -MOL_01_000980,Fc1ccc(cc1)C2N=C(CC(O)CNC)c(ccc3C)n3c(c24)ncc(c4)CC -MOL_01_000981,Cn1n(C)c(c12)cc(cc2NF)Cc(n3CC(CF)NF)nc(c34)c(F)ncn4 -MOL_01_000982,c1ccccc1C(N=2)=C(C=3C24)C=C(N3)C(O4)NCCc5ccccc5 -MOL_01_000983,Fc1ccc(cc1)-c2c(NC(F)O)nc(n23)Nc4c(C3F)cccc4 -MOL_01_000984,CC(O)c1ccnc(c1)-c(nc(n23)CCC3)c2CCCC(F)N -MOL_01_000985,c1cccnc1Cn(c(=O)c2)c(C)c(c23)C(=O)C(=N3)c4ccccc4F -MOL_01_000986,C1N=C(C)CNC12c3c(ccc(C)c3)C(=N2)C(N4)c(cc45)ccc5 -MOL_01_000987,NCCNc1ccnc(c12)cc3c2ncn(c3O)-c4ccc(N)nc4 -MOL_01_000988,OC(F)C(F)n(nc1F)c(O)c(c12)c3c(n2)cccc3 -MOL_01_000989,CN(C)CNN(C1O)C(=O)c2cc(nc(c2c13)cnc3)-c4ccc(F)c(F)c4 -MOL_01_000990,CNc1ccc(cc1NCl)-c2c(F)nc(n23)c(F)cc(n3)F -MOL_01_000991,CN(C)Cc1c(F)n2c(nccc3)c3NCc(c2c14)cnc4 -MOL_01_000992,c1cccc(c12)C(C(=O)N2F)Nc3nc(n(c34)cccc4)-c5cccc(F)c5 -MOL_01_000993,c1ccccc1-c(c(C)c2C(O)OCC)n(c23)c(O)c(cn3)-c4ccccc4 -MOL_01_000994,CNCC(F)Nc1nc(F)nc(n12)c(c(n2)F)-c3c(F)cc(NC)cc3NC -MOL_01_000995,C1NCCNC1C(O)N2CCN(CC2)c3ccnc(c34)cc(F)cc4 -MOL_01_000996,CC(N)Nc(c1N)nnc(c12)C(F)c3c(N2F)c(NF)cnc3 -MOL_01_000997,CCc1ccc(c(F)c1)-n(c2F)cnc(c23)c4c(n3)ncnc4NC5CC5 -MOL_01_000998,CNc1c(F)cnc(c1F)Cn2cc(c(c23)c(F)nc(n3)F)Cc4cccc(F)c4 -MOL_01_000999,Fc1cccnc1-c2n(-c3cnc(F)cc3)c(F)c(n2)CNC4COCN4 -MOL_01_001000,CNc(c1)ccc(c12)n(c3c2CC(C(=O)F)CN3)C(=O)c4ccccc4 -MOL_01_001001,FCc1cc(cnc1F)-c2cnc(n23)cc(cc3)-c4cccnc4 -MOL_01_001002,O=C(F)CNc(c(Cl)c1F)cc(c12)NC(F)(C2=O)c3cccnc3 -MOL_01_001003,N1CCCC1Cn(c(c23)CC(F)(F)NC2)c(nc3=O)-c4ccc(F)cc4 -MOL_01_001004,FC(F)c1ccc(F)c(c12)nc(c(c2O)C(O)N(F)F)Nc3ccc(F)cc3F -MOL_01_001005,CNCNCCCCn1c(NCN(C2)C(F)O)c2c(c13)cc(cc3)-c4ccnc(F)c4 -MOL_01_001006,CNc(c(F)c1)cc(NC2)c1C23c4c(cccc4)N(C3O)Cc5ccncn5 -MOL_01_001007,OC(F)CNC1CCc(c12)c(ccc2)NC(F)(F)C3=C(F)N=C(C3=4)N=CC4 -MOL_01_001008,FC(N)c(n1)cc(F)c(c12)c(F)c(N)n2C3CCNCCN3 -MOL_01_001009,c1cccnc1CNc(c2-c3ccc(cc3)C(F)O)nc(n24)c(ccc4)N5CCCCC5 -MOL_01_001010,FCC(C)NC(O)c(c1F)nc(c12)nc3n(c2O)CCC3 -MOL_01_001011,Fc1ccc(nc1)-c(cc(c23)NCC3)n2-c4ccncn4 -MOL_01_001012,N1C\C=N/C=C\2C(O)c(cccc3)c3C(=C4O)C2c(cc5)c4cc15 -MOL_01_001013,c1cnc(c12)c(O)n(CC)c3n2c(nc3)CCC(O)Oc4ccc(F)cc4 -MOL_01_001014,NNc1ccccc1C(C2=O)=CC=C3C(=c(c4=C23)cc5c(c4)cccc5)CNc6ccccc6 -MOL_01_001015,FC(F)(F)C(C1)=CN(C12C)C(O)N(C2=O)c3ccc(C(F)F)c(C(F)(F)F)c3 -MOL_01_001016,FOCC(O)Nc(c1O)cnc(c1C23CCCC2)c4c(C3)cccc4 -MOL_01_001017,C1CCCC(C1=2)=c3c(C2)c4c(c(CC=O)c3O)=CC=C4Nc5ccccc5 -MOL_01_001018,O=C1C=NC=C2N=C(C3=C12)c4c(C3O)cccc4 -MOL_01_001019,CCNC(O)N1CCC(CC1)NC(O)CNc(c2F)c(C)nc(c23)n(C(F)(F)F)nc3F -MOL_01_001020,Cn1c(=O)n(C)c(O)c(c12)nc3c2nccc3 -MOL_01_001021,CN1CCN(CN1)c2ncc(cn2)-c3c(F)nc(c4c35)cc(n(o5)C)c(F)c4 -MOL_01_001022,CNc1ccc(cc1CN)-c(n2)ccc(n23)nnc3-c4ncccc4NC -MOL_01_001023,CCc1ccc(cc1)C(CCN)NC(=O)C2(F)CCN(CC2)c3ncnc(F)c3F -MOL_01_001024,c1ccccc1CC(C2=O)=CC(C3NNCC=C3)=c(c24)c=5c(cc4)C=C(C5)c6ccccc6 -MOL_01_001025,Cc1cncc(c1)CCNC(=O)C(N=2)=CC(C23)=c4c(=NC3=O)ncc(c4)O -MOL_01_001026,CCCC(=O)N1CCN(CC1)C(O)CNc(n(c2F)CCC)nc(c23)c4c(n3)cccc4 -MOL_01_001027,OC(F)c(cn1)cc(c12)nc(O)n2-c3ccccc3F -MOL_01_001028,c1ccnc(N(C)C2=O)c1C23CCC4(OC3)NCCN4 -MOL_01_001029,Oc1ncc(c12)n(C3CC3)c4c(c2O)cc(F)c(c4)-c5cccnc5 -MOL_01_001030,Fc1cc(ccc1)-c2ncc(c23)c(cc(O)n3C)Nc4cc(ccc4F)C(O)NC5CC5 -MOL_01_001031,OC1NCNc(c(F)c2F)c1c(c2C34F)NCN3C(F)(F)NCN4 -MOL_01_001032,CNC(=O)CN1Nc(cccc2)c2C13CN(NN3)c4ccccc4 -MOL_01_001033,CNC(O)C(=N1)C(C(=O)CC)=C(C1=2)N=C(N2)C(F)Cc3cc(OC)ccn3 -MOL_01_001034,Fc1ccccc1N(C(=O)CF)C2(c3ccccc3)CCN(CN2)CCn4cccn4 -MOL_01_001035,NC(N)N1CCN(CC1)c2ncnc(CF)c2CCc3ccc(F)nc3 -MOL_01_001036,Fc1cccc(F)c1-c2cnc(n23)cc(c(F)c3C)-c4cc(ccc4F)C(O)NC5CN5 -MOL_01_001037,Fc(c1)ccc(c12)ncc(c2O)C(N3CCNCC3)c4cncn4C5CCCC5 -MOL_01_001038,OC(Cl)NCCCCc1cccc(c12)CCCN2 -MOL_01_001039,FCCC(O)Nc1ccc(cc1)-c2c3c(c4n23)cccn4 -MOL_01_001040,CC(F)c1ccc(cc1)N2C#CN(CC2)CCN(C3=O)C(=O)N=C(C3=4)c5c(N4)cccc5 -MOL_01_001041,Cc1ccc(cc1)-n(c2F)nc(c23)c(=O)n(cc3C)CC(=O)NCc4ccccc4F -MOL_01_001042,CNC(CC1)CCC12C3(COC(F)O3)c4c(C2)ccc(c4)-c5cncc(C)c5 -MOL_01_001043,FCc(n1)cn(c12)CC(CC2)NCc3cccc(c3)-c4cc(NC(F)(F)F)ncn4 -MOL_01_001044,Oc1c(C)c(O)c(C)c(c12)nc3n2CCCC3c4cc(F)cc(F)c4 -MOL_01_001045,c1ccccc1C(O)c(c(=O)n2F)c3c(cccc4)c4C(O)c(c3c25)ccc5 -MOL_01_001046,C1CC1Nc2cc(ccc2C(=O)F)C3=c(cccc4)c4=C(C3=5)C(O)CCC5 -MOL_01_001047,FC(F)CNC(O)C(C)Cc1cc(F)ccc1Nc2ncnc(c23)cc(cc3F)NC(F)(C)C -MOL_01_001048,Fc1cccnc1-c(nc(F)n2)c(c23)CNCC3Cc4ccccc4F -MOL_01_001049,Fc1cccc(F)c1Nc2ccc(cn2)-c3nc(C4CCN4)n(c35)ccnc5F -MOL_01_001050,NCc1ccc(nc1)CCCC2CCC(NC2)C3=CN=c(c34)cnc=5c4C=CN5 -MOL_01_001051,C1CNCN1C(=O)C2=NCC(C2)N3CCN(CC3)c4ccnc(c45)cccc5 -MOL_01_001052,Fc1cnc(cc1)CC(F)C(O)N2CCN(CC2)c3ccnc(c34)cccc4 -MOL_01_001053,n1cc(F)cc2c1n(c(c23)NCN(C)C3)CCc4cccnc4 -MOL_01_001054,Oc1ccc(cn1)-c(n2)cn(c23)cccc3F -MOL_01_001055,c12c3c4c(cc1)CCCc4c(C(O)CCCl)c3c2N -MOL_01_001056,CNc(c1)c(NC)cc(c12)nc(F)nc2NCCCNC(C)N -MOL_01_001057,OC(F)c1c(F)c(CC)c(nc1O)-c(c2)ccc(c23)n(C)c(c3)CNC -MOL_01_001058,CCC/C=C/Cn1c(F)c(C(=O)F)c(c12)c(F)ncn2 -MOL_01_001059,Fc1cccc(c1)-c2cn(c(c23)ncnc3F)C4CC(N4)CN5CNC5 -MOL_01_001060,Cn1cnc(c1)C(F)(CC2CC2)NC(F)c3cc(CCC(F)(F)F)c(cn3)C4=CC4 -MOL_01_001061,Fc1cc(F)ncc1C(=O)N(C(F)NC2)c(c23)ccc(c3)-c4nc(F)ccc4F -MOL_01_001062,c1cccc(c12)nc(O)n2C3CCN(CN3)CCNC(O)c(c4)ccc(c45)nccc5 -MOL_01_001063,N1NCC(F)(NF)N(C12F)CNc3c2cnc(n3)C(F)F -MOL_01_001064,Cc1cn(CF)c(F)c1NC(=O)c2ccn(c23)c(C(F)F)cc(n3)-c4ccccc4 -MOL_01_001065,FC(F)c1cc(ccc1)NC(F)(C)C(F)NC(N=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=C4 -MOL_01_001066,CNc1cc(NCl)ccc1C2C(=O)N(C(=O)C2F)c3cnc(F)c(F)c3 -MOL_01_001067,c1ccncc1-c2ncc(cc2)Cn3c(F)nc(c34)c(ncn4)N5CCNCC5 -MOL_01_001068,C1NNCc2c1cc(NCC3O)c4c2c(c5n34)cc(F)cc5 -MOL_01_001069,Fc1c(F)c(F)ccc1C(O)N(C(F)C2)Cc(c23)ncn3-c4ncc(F)cn4 -MOL_01_001070,c1cccc(c12)cccc2C(N3)NC(F)C(=O)c(c34)n5c(n4)cccc5 -MOL_01_001071,CNc1ccccc1N2CCN(CN2)C(c3ccccn3)c4cncn4C5CCNCN5 -MOL_01_001072,Fc(c1)cccc1C(c(c23)nc(NF)nc2)C(N3F)c4ccc(NF)cc4 -MOL_01_001073,Fc(c1)ccc(c12)Nc3c(cccn3)C4N2CCCC(OO4)NCc5ccc(F)nc5 -MOL_01_001074,CC(F)(F)n1c(F)nc(c12)C(O)c3c(C2=O)cccc3 -MOL_01_001075,CCc1c(CF)ccc(c12)NC3c4c2c(CN)c(OC)cc4NCN3 -MOL_01_001076,OC(F)c1ccc(cc1)-c2c(CN)c(O)nc(c23)c4c(CN3)c(F)ccc4 -MOL_01_001077,NCc1ccc(cc1N=C)-c2c(C(F)NC3)c3nc(c24)cc5c(c4)CNC5 -MOL_01_001078,Cc(c1)cnc(c12)c(ncc2)Cc3cc(F)c(F)c(c3)C4(C)CC(C(F)(F)F)NC(=N4)N -MOL_01_001079,NCC(=O)C1CCC(CC1)Oc(c(c2)CN)cc(c23)c(ncn3)Nc4ccc(F)cn4 -MOL_01_001080,c1cncn1CCCn2c(NCC(=O)NCCF)cc(c23)c(C)nc(n3)N(CC)CC -MOL_01_001081,Nc(c1)cc(c2c13)CCN(CCF)C2Nc4c3c(N)c(N)nc4 -MOL_01_001082,c1ccc(N2C)cc1C(=C3)C=CC3=C(CNCN4)C24C(=O)C5CNC5 -MOL_01_001083,CCc1nc(CN)cc(n1)N(CCF)c(nn2)cc(c23)nc(nn3)-c4ccn(c4)CC -MOL_01_001084,c1cccnc1CCN(C)C(O)c(n2)cn(c23)c(c(c(n3)F)CF)-c4ccc(F)cc4F -MOL_01_001085,Fc(c1)ccc(c12)N(C)C(F)(F)c3c2nc(nc3)NCC(O)Nc4cc(F)ccc4F -MOL_01_001086,NCc1cnc(cn1)C(C=2C=O)=NC(C23)=NC(=N3)Cc4ccc(F)nc4 -MOL_01_001087,CC(C=1)=CC(C12)=C(C(=N2)C)CC3C(=O)Nc(c34)cc(F)cc4 -MOL_01_001088,FCN(CF)CC(=O)NC(N=C1)=C2C(=O)N=c(c3=C12)cccn3 -MOL_01_001089,Oc1nc(F)cc(c12)C(NC2=O)Cc3cn(F)c(c34)cccc4 -MOL_01_001090,CCc(c1)c(C)nc(c12)NCC3N(C2=O)CC(C3)c4ccc(F)cc4 -MOL_01_001091,CNc1ccccc1-n2c(nc(c23)cccn3)NCC(O)N4CCNCC4 -MOL_01_001092,c1cccc(c12)cc(cc2O)CC(=C(C3=4)C=CC4)C(O)=C(C3=O)c5cc(CN)cc(c5)NC -MOL_01_001093,c1ccccc1CNC(=O)C2CCN(CC2)c3cc(ncn3)Cc4ccc(F)cc4F -MOL_01_001094,c1ccccc1C(C2(F)F)N(C(O)N2)c3ccc(cc3)-c4nnc(n45)ccc(F)c5 -MOL_01_001095,FNc1ccc(cc1)-c2nc(ncc(F)c3)c3c(c24)NCNC4 -MOL_01_001096,FC(F)(F)Cn1cc(cc1)-c(nc(n2)C(=O)F)c(c23)ncc(c3)CC4=CC(C(F)(F)F)CNC4 -MOL_01_001097,OC(F)c1cc(ccc1)NC(C)(C)C(=O)NC(N=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=C4 -MOL_01_001098,C1CC(Cl)OCc(n12)nc3c(c2O)c(Cl)c(n3)C(F)O -MOL_01_001099,Fc1ccc(cc1C(F)(F)F)CN2CCC(CC2)C3=NC=c(c34)cnc=5c4C=CN5 -MOL_01_001100,CNc(c12)cc3c(c1)c(c2C)c4c(nc3)c(ncn4)Nc5cccc(F)c5F -MOL_01_001101,CCCNc1nc(F)nc(c12)n(cn2)C3C=C(C(CF)N3)CNC -MOL_01_001102,CNc(c1)c(CC)cc(c12)C3C(=CC2)Cc4c(C3=O)ccc5c4CC(N5)C(=O)F -MOL_01_001103,OC(F)CCCCNCC(c1cccnc1)c2cccc(C(F)(F)F)c2 -MOL_01_001104,FCc1cccc(c1)C(N=2)=C(C(=O)C(C23)=CC=C3CCC)NC(O)c4ccncc4 -MOL_01_001105,OC(F)Nc1ccc(cc1)-c(nc(c23)cc(F)nn3)n2C4CCNC4 -MOL_01_001106,Cc(n1)ncc(c12)CC(N2)C3C(=C3C45C(C)C(C)C)c6ccc(nc6)C(CC4)CC5 -MOL_01_001107,Fn1c(=O)n(C)c(=O)c(c12)cn3c2c(cc(F)c3)-c4ccccc4 -MOL_01_001108,NCc(c1)ccc(c12)n(c3c2CNCN3)CCCNc4nc(CF)cc(n4)CF -MOL_01_001109,CNc1ccc(cc1)C(=NC(C23)=NC(=N3)F)C=2CCCc4cn(cn4)Cc5ccccc5F -MOL_01_001110,c1ccncc1NC(F)C(F)(N2)Cc(c23)c(ccn3)-c(c4)ccc(c45)NCN5 -MOL_01_001111,C1CC1CNC(=O)c2cc(-c3ccccc3)cn2CC4CC(NO4)c5cccnc5 -MOL_01_001112,CN(C1)CCc(c12)c3c(n2)ncn(c3F)Nc4ccc(F)cc4 -MOL_01_001113,Cn(c12)n(C)c(c1)c3c(c2)nc(O)c(c3CNF)Nc4ccnc(F)c4 -MOL_01_001114,NNc(c1)c(CN)nn(c12)ccc3c2nc4c3ccc(c4)CF -MOL_01_001115,CC(O)c(c1)ccc(c12)n(CN)c(F)c(c2=O)-c3cc(CN)ncn3 -MOL_01_001116,FCc(n1)ncc(c12)cc(n2CC(F)(F)C)Nc3ccc(cc3)-c(c4)ccc(c45)NCC5 -MOL_01_001117,c1ccccc1-n(c2O)c(NCC(O)NN)nc(c23)ncc3-c4ccccc4 -MOL_01_001118,CCc1nccn(c12)cc(n2)-c3ccc(N(F)F)cc3NC -MOL_01_001119,Oc1n(C)c(=O)n(C)c(c12)ccc2CC(O)Nc3ccc(F)cc3F -MOL_01_001120,NCc(c(F)n1)c(F)c(c12)c(nc(n2)C(C)(N)O)-c3ccccn3 -MOL_01_001121,NCc1c(OC)c(CN)cc(c12)ncnc2Nc3cncc(C(F)(F)F)c3 -MOL_01_001122,n1ccnc(NC2)c1c(c23)nc(-c4ccccc4)cc3-c5ncc(NF)cc5 -MOL_01_001123,Fc1c(F)cnc(C2=O)c1CC23Cc4c(C3O)nc(F)c(F)c4 -MOL_01_001124,CC(C)CNC(O)c1cc(C2CC2)nc(c13)n(C)cc3C4CCCN4 -MOL_01_001125,CNc1ccc(cc1CN)C(C2=O)=C(O)C=C(C2=3)C=C(C3)C(O)NCc(c4)ccc(c45)NCN5 -MOL_01_001126,c12on(C)c3c(n1)c(ccc3CN)c(F)c2Cc4ccccc4 -MOL_01_001127,Fc(n1)c(F)nc(c12)ncc(c2)C(O)N(CCN3)CC3(CF)Nc4ccc(F)nc4F -MOL_01_001128,CCc1nc(CC)cc(c12)C(O)c3c(C2=O)c(F)cc(n3)F -MOL_01_001129,CCc(c1)ccc(c12)nc(F)nc2NC(NCF)CCNCl -MOL_01_001130,NCCC(O)C(C=1F)=Nc(c12)c(F)cc3c2=NN=C3 -MOL_01_001131,C12OCN(CO1)CC2N(CC3)C(O)c4cccc(c4n35)c(F)c5 -MOL_01_001132,CCc1cncc(c1)NC(O)c2cc(nc(c23)c(C)nc(n3)N)-c4ccncc4 -MOL_01_001133,C1=C=C(O)CCC12N(C)C(O)C(c3ccc(C(F)(F)F)cc3)=C2c4ccccc4 -MOL_01_001134,OC(N1)C=C(C(F)F)n(c12)ccc2C(O)N(C3)CCc(c34)cccc4 -MOL_01_001135,NNCn(c1F)c(=O)n(CNN)c(c12)nc(n2)-c3ccc(F)cc3F -MOL_01_001136,NCc(nc1)ccc1CC(O)c(c(n23)CNCCC2)nc3-c4ccc(C)cc4 -MOL_01_001137,CN1CCC(C1)Nc(c2)ccc(n23)ncc3-c4cnc(nc4)Nc5ncccc5F -MOL_01_001138,c1ccccc1-c(c(c23)CNC(F)(F)C2)nc(c3CF)NCCN(C)C -MOL_01_001139,n1cncnc1CCc(c2)c(OC)cc(c23)ncnc3N4C=C(C=CC4)c5cnccn5 -MOL_01_001140,c1ccccc1-n(c2F)cc(c23)c(=O)n(nc3C)C(C)C(=O)N4CCNCC4 -MOL_01_001141,c1cc(F)cc(c12)c(F)c3c(n2)NC(CC3=O)c4ccccc4NF -MOL_01_001142,FC1NCCc(c12)n(cc(c2=O)C(F)O)Cc3ccc(cc3)-c4ccc(F)nc4 -MOL_01_001143,CC(=O)Nc1cccc(c1)-c(n2)cc(c23)nc(n(c3F)C)NCc4cccnc4 -MOL_01_001144,Cc1cccc(c1)Nc2ncnc(c23)cc(c4c3NCCN4)CN5CCNC5 -MOL_01_001145,Cc1cccc(C)c1NC(N=2)=NC(C23)=Nc4c(C3=O)cc5c(c4)OCO5 -MOL_01_001146,Fc1ccc(c(F)c1)C2CN(N23)C3(Nn4ccnc4)c5ccc(F)nc5 -MOL_01_001147,c1cccc(c12)c(F)c(nc2O)-c3ncnc(c34)n(nc4)-c5ccccc5 -MOL_01_001148,Cc1cccc(c1)C2CNC(CN2)C(=c(c34)cccc4)C(=O)C=3c5ccccc5 -MOL_01_001149,Fc1ccnc(c1)N2CCN(CC2)CCNc3c(F)n4CNCc(c4c35)ccc5 -MOL_01_001150,c1ccccc1-n2c(=O)c(c(F)n2C)Nc3ncc(n3CCN)-c4ccccc4 -MOL_01_001151,NC1N(C)c(c12)ccc(c2)-c3cn(c(F)n3)-c4cc(F)c(CN)cc4CN -MOL_01_001152,C1C=Cn(c12)c(c(C(F)O)c2C(F)O)-c3ccc(F)cc3 -MOL_01_001153,c1nccnc1-c2ncc(C)cc2C(O)N3CC(=CCC3C)COc4ccc(F)cn4 -MOL_01_001154,FNc(c1)c(CF)cc(c12)NCc3c2nc4c(c3F)cncc4 -MOL_01_001155,CNc1ccc(nc1)-n(c2O)ccc(c23)c4c(n3)nccc4F -MOL_01_001156,CC(C)NCC(C)C1c(ccnc2)c2N(C)Cc(c13)cccn3 -MOL_01_001157,c1cccc(c12)ccnc2C(F)(F)c(nn3C(C)N)c(c34)cc(cc4)N5CCN(C)CC5 -MOL_01_001158,c1ccncc1-c2nnn(c2)Cc(c3)c(F)nc(c34)c5c(NCN4)cccc5 -MOL_01_001159,CC1(F)CCN(CC1)c2ccccc2NC(F)c3cc(cnc3N)-c4nccc(c45)ccc(F)c5 -MOL_01_001160,O=C(F)C1CN(F)CN1C(=O)c2ccc(C3(F)CCC3)c(n2)CCC4CC4 -MOL_01_001161,NC=1C(N)=c(c2C13)ccc(c2)=C4C(CCC3)=Cc5c4cccc5 -MOL_01_001162,OC(F)NCc1cnc(n12)CCN(CC2)c3ncnc(c34)OCC4 -MOL_01_001163,N1CCC(F)Cn(c12)c(-c3ccc(F)c(F)c3)nc2-c4cc(F)nc(F)c4 -MOL_01_001164,CNc1c(OC)cc(cc1NC)C(N=2)=NC(C23)=C(C=N3)c4cccc(F)c4 -MOL_01_001165,Fc1ccnc(c1)CNc2cc(ccn2)-c3nc(C4CCN4)n(c35)ccnc5F -MOL_01_001166,Cc1ccccc1C(=C(C2=3)N=CC3)C(=O)C(=C2O)CCc4ccccc4 -MOL_01_001167,CN(C)c1ncnc(c12)nc3c2ncn(c3O)-c4cccnc4 -MOL_01_001168,FC1=NC=c(c12)c=3c(cn2)C(=NN3)c4ccc(F)cc4F -MOL_01_001169,FCNC(=O)c(c(F)n1C)c(c12)c(c(F)nc2)CN(CF)CF -MOL_01_001170,FCn1c(O)c(C(=O)CF)c(F)c(c12)ncn2 -MOL_01_001171,C1CN(N)C(C2(F)F)Nc(c3C12F)ccc(F)c3 -MOL_01_001172,CCc1cccc(c12)c3n(c(n2)F)cc(n3)CN4CCN(CC4F)c5ccccn5 -MOL_01_001173,c1ccccc1N2CN(NC(C23)OC(F)(F)CC3=O)c4ccccc4 -MOL_01_001174,c1ccncc1C(F)(c2cnccn2)C(N3CCNC3)c4ccncc4 -MOL_01_001175,c1cccc(c12)nc(F)n2C3CC(=O)N(C3O)Cc4ccccc4 -MOL_01_001176,CC(O)CCc1cc(O)c(F)c(F)c1O -MOL_01_001177,CNc(n1)ccc(c12)nc(cn2)-c3ccc(nc3)CCCF -MOL_01_001178,CCCN(C(O)CC1)c(c12)cc(c(F)c2)C(C3=O)=CC=C(C3=4)C(=CC4)CCO -MOL_01_001179,C1CCCC1Cc2nc(O)c(C(C)O)c(n2)C(CN)c3cccc(c34)cncc4 -MOL_01_001180,CNC(O)CN1CNC(CC1)Cc(c2)c(NC)cc(c23)ncnc3Nc4ccc(F)c(F)c4F -MOL_01_001181,Cc(c1)cc(C)c(c12)c(ccn2)N3CCN(CC3)C(O)N4CC#CCC4 -MOL_01_001182,c1c(F)ccc(N(C2)C(F)O)c1C23CCN(NF)CN3 -MOL_01_001183,CCc1c(C=O)nc(c2c13)NCCN2CCC3 -MOL_01_001184,CNc1cccc(c1)CNC(=O)C(NC2O)Cn(c23)c4c(c3)nccc4 -MOL_01_001185,FC(C)c1cccc(c12)n3c(c(n2)O)nc(c3O)-c4ccccc4 -MOL_01_001186,Fc1ccc(cc1)C(N2)CC(n(c23)cc(n3)F)c4ccc(F)cn4 -MOL_01_001187,n1ccccc1-c(nc2=O)n(c(c23)CCCC3)CCN4CCNCC4 -MOL_01_001188,CNC(O)CCc(c1CF)c(CCC(O)NC)c(n12)Cc3c2cccn3 -MOL_01_001189,CC(C)(C)c1ccc(cc1)C(O)NCCn2c(F)c(CN)c(c23)nc4c(n3)cccc4 -MOL_01_001190,CNc1ccc(cc1)C(CCF)NC(=O)C2(F)CCN(CC2)c3ncnc(F)c3F -MOL_01_001191,C1CNCCN1c2cc(O)nc(n2)CC(O)N3NCc(c34)c(F)ccc4 -MOL_01_001192,c1ccnc(c12)N(CCl)c3c(NC2O)c(Cl)cc(n3)CCl -MOL_01_001193,Fc1cnccc1-c2cc(O)c(C)c(n2)N3CCOC(C3)c4cccc(F)c4 -MOL_01_001194,Cn1ccc(c12)c(nc(n2)C)NC3(CCCCC3)CN4CCCCC4 -MOL_01_001195,Cc(n1)cc(N)n(c12)nc(n2)C(F)(F)Nc3c(F)ccc(c34)cccn4 -MOL_01_001196,NCc1ccc(nc1)NC(=O)C2CCCc(c23)cc(c(n3)C=O)CO -MOL_01_001197,CNc(c1)c(CC)cc(c12)c(ncn2)C3=CC(CC3)Nc(n4)cnc(c45)cccc5 -MOL_01_001198,c1ccncc1C(O)Nc(nc(c23)CNCC3)n2C(O)c4ccccc4 -MOL_01_001199,Fn1cnc(c12)c3c(cc2)n(c(F)c3C(F)O)NCCCF -MOL_01_001200,C1CCN=C1Cc2cc(ccc2CN)C3(Nc4ccccc4)CN=C(C3=O)CC5C=NCCN5 -MOL_01_001201,Nc1ccc(cc1)-c2cc(c=3c(c24)=CC=C4)C(=CC3)C(F)(O)c5cccc(N)c5 -MOL_01_001202,c1cc(F)cc(c12)c3c(n2)c(O)n(c(n3)O)NCC4C(F)CC(F)CC4F -MOL_01_001203,c1cncn1CNCc(c2)c(NC)cc(c23)ncnc3Nc4ccc(F)c(F)c4 -MOL_01_001204,FC(F)NCN1CC(C1)n(c(c23)ncnc3F)cc2-c4cccc(c4)NCc5ccccc5 -MOL_01_001205,n1cccc(c12)C(=O)N(c3c(C2)ccc(F)c3)CC(O)NCCCN4CCCCC4 -MOL_01_001206,N1CNCc(n2)c1c(F)c(N3c(cc4)ccc4F)c2Cc5ccc(c6c35)cccc6 -MOL_01_001207,Fc1ccc(cc1)C2N(C(O)c(c23)cn(c3)C)c4cc(F)c(=O)n(F)c4 -MOL_01_001208,Fc(c1)ccc(c12)N(CC2)C(Nc(cn3)ccc34)ON4c5cccnc5F -MOL_01_001209,Cc1cnc(cn1)NC(F)C(CCCC)Cc2ncnc(c23)n(cc3)-c4ncccc4F -MOL_01_001210,CCc1cc(F)cc(c1CCC(=O)F)C2NC(F)=NC(=C2C(=O)F)c3ccccc3 -MOL_01_001211,CCc1cc(CF)cnc1C(O)Nc2ccc(F)c(c2)C3(C)C=C(CF)CC(F)=N3 -MOL_01_001212,c1cnccc1-n(c(F)n2)c(=O)c(c23)cc4c(n3)CC(F)(F)NC4 -MOL_01_001213,CCC(C)C(C=1O)=CC(=O)C(C12)=Cc3c(C2=O)ccc(F)c3 -MOL_01_001214,FN(F)C(=O)c(c1F)c(F)cc(N2)c1CN(C23F)C(F)(F)COC3 -MOL_01_001215,C1CCNC1NC(=O)CN(C2O)c(cc(F)cc3)c3Nc(c24)nccc4 -MOL_01_001216,CNc1ccc(c(F)n1)-c2c(F)nn(c23)c(nc(n3)F)N(CF)CF -MOL_01_001217,FC(O)c1cnc(c12)c(O)c(C(=O)CCCl)cn2CC -MOL_01_001218,C1CNc(c12)cc3c(c2)c(O)n4c(n3)nc(n4)Nc5nc(F)ccc5F -MOL_01_001219,NCc1ccc(cc1)-c(c2)cnc(c23)n4cc3NC(O4)c5cccnc5 -MOL_01_001220,CNC(O)CN(C1O)Cc(c12)nc(C)c(CF)c2-c3ccc(F)cc3F -MOL_01_001221,Nc(c1)c(C)cc(c12)ncn2C3=CC(=O)N(C3=N)Cc4ccccc4 -MOL_01_001222,CNC(O)Cc1ccc(nc1)NC(O)Cn2cnc(c23)c(nc(n3)F)C4CCOCC4 -MOL_01_001223,C1CNNCC12c3c(NC(O)N2)c(F)cc(c3)-c4ccccc4 -MOL_01_001224,Cc1c(F)cc(cc1C)-c(c(=O)n2CC(F)O)cc(c23)cccc3 -MOL_01_001225,CCc1ccc(cc1F)C(C=2)=NC(C23)=C(C=C3)c4ccc(NC)c(CC)c4CN -MOL_01_001226,Fc1cccnc1-c(cc2O)nc(c23)c(c(F)cc3F)NC(O)c4ccccc4 -MOL_01_001227,Fc1ccc(cc1)N(CC2N)C(F)c(n23)cc(c3)CCc4ccc(F)cn4 -MOL_01_001228,Cc1ccccc1Nc2ccc(c(F)c2)-c3nc(C4CN=N4)n(c35)ccnc5F -MOL_01_001229,CCNC1(C)CN(C1)c2cc(nc(n2)N(CC34)C(C3)N4)-c5cnc(F)c(c5)NC(F)F -MOL_01_001230,C1CCCCC1C2=NC(C)=C(C2=3)C=C(N3)C(=O)Nc(c4)ccc(c45)N(CC5)C(O)CF -MOL_01_001231,FCNC(O)c(c1F)cn(c12)ncc(CN)c2Nc3ccc(cc3)NCc4ccccc4 -MOL_01_001232,CCc1cc(NC)cc(c12)nc(nc2O)-c3cccnc3N4CCN(CC(F)F)CC4 -MOL_01_001233,c1cccc(C(=O)N2)c1C23CCN(CC3)C(O)Nc4ccn(n4)-c5ccccn5 -MOL_01_001234,Cc1ncc(c(n1)CF)NCC2(c3ccccc3)NC2C(=O)Nc4ccc(cn4)CN -MOL_01_001235,NNc1c(C(F)N)nc(C(F)N)c(CF)c1-c2ccccn2 -MOL_01_001236,n1cncc(c12)c(cn2C(=O)F)C(O)Nc3cc(cc(c3)C(F)O)-c4ccccc4 -MOL_01_001237,c1ccncc1NC(=O)C(C)c2ccc(cc2)NC3CCN(N3)c4ncnc(c4F)CCC(F)(F)C -MOL_01_001238,Fc1ccccc1-c(nc2=O)n(c(c23)OCOC3)Nc4cccnc4 -MOL_01_001239,CC(O)CCC(=C(C)C1O)C(=O)c(c12)cccc2 -MOL_01_001240,C=1C=CC(C12)=CC(=O)C3=C2NC(O)CC3c4cc(CC)c(CC)c(c4)CC -MOL_01_001241,CNc1cccc(c1)-c2cccc(c23)C(F)(C(N3)O)Cc4ccccc4F -MOL_01_001242,c1cccc(c12)nc(F)c(c2O)C(CC(F)O)c3ccccc3N(F)F -MOL_01_001243,NCC(O)c1c(F)c(F)cc(c12)c(=O)n(c(n2)F)-c3ccc(F)cc3 -MOL_01_001244,O=C(F)Nc1ccc(cc1)C(O)N2CCN(CC2)c3ccnc(c34)cc(F)cc4 -MOL_01_001245,NC1COOC12c3c(C(=O)N2)ccc(c3)NO -MOL_01_001246,CN(C)Nc(c1)cc(F)c(c12)c(ncn2)Nc3ccc(F)cc3CC(CF)C(=O)F -MOL_01_001247,c1nc(F)c(F)c(c12)ncc(c2O)-c(c3)ccc(c34)NCC4 -MOL_01_001248,CNCNCCCCn1cc(c(c12)cnc(n2)NC)CN(CC3)CNC34CCN4 -MOL_01_001249,C1NCC1C(O)N(C)c2cc(ncc2F)Cc3nnc(O)c(c34)CNCC4 -MOL_01_001250,c1cccc(c12)C(O)c3c(N2F)ccc4c3nn(c4F)CCCCF -MOL_01_001251,NCc(c1)c(CC)cc(c12)ncnc2Nc3cnc(c(c3)NC)CC(F)Nc4cnn(c4)C(C)C -MOL_01_001252,Cc(n1)cc(C)c(c12)n3c(c(n2)C)ncc3CCC(O)N4CCCc(c45)cccc5 -MOL_01_001253,C1NC(F)(F)Nc(c12)c3c(cc2N(F)N)nc(O)cc3CNF -MOL_01_001254,FCCc1cnc(n12)NC3C(N2)c4c(C3)c(F)ccc4 -MOL_01_001255,Fc(n1)nc(F)c(c12)nc(n2CCNCF)Nc(c(F)c3)cc(c34)NCC4 -MOL_01_001256,Cc1c(O)n(C)c(c12)cc(c(c2)C(C)O)C3CCN(CC3)C(O)c4ccccc4F -MOL_01_001257,CC12c3cc(O1)c4c(c3F)ccc(c4)NC(O2)Cc5ccccn5 -MOL_01_001258,CC(F)(N)c1ccc(c12)c(O)n(cn2)CC(=O)C3CCCC3 -MOL_01_001259,c1ccccc1-n(c2c3cccn2)c(=O)c(c34)CC(F)N4 -MOL_01_001260,Cc1c(F)nccc1C2=CC(C)=C(C2=3)C(N)=CC(=O)C3CC(=O)NCc4ccccc4 -MOL_01_001261,CCc1ccc(cc1)-c(n2)nc(CC3CC3)c(c24)nc(=O)n(C)c4O -MOL_01_001262,N1CNc(c12)ccc(c2)C(=O)NC3CC(O)N(C3)c4ccc(F)cn4 -MOL_01_001263,FC(F)Cc1ccc(cc1)NC(F)c2cnc(N3C=C(C)C(F)C3)c(c2)-c4cnc(C)nc4 -MOL_01_001264,Fc1ncccc1C(F)(F)Nc(nc2)cc(c23)ncn3-c(c4)cnc(c45)cccc5 -MOL_01_001265,c1cccc(c12)CCCN2C(=N)CNc3cnc(n3CCN)-c4ccccn4 -MOL_01_001266,c1cccc(c12)c(CF)c(n2N)CN(C(F)O)c3ccccn3 -MOL_01_001267,NCCNCNc(c(CN)cc1)c(c12)cc3c(c4c(=CC3)cc5c(c4)=NC=N5)c2Cc6ccccc6 -MOL_01_001268,CCCC(O)CCC(O)CCn1c(CNCC2)c2c(c13)ncnc3 -MOL_01_001269,C=1C=Nc(c12)ncc3c2=C(N=C3O)C4CCCCC4 -MOL_01_001270,CNc1cncc(c1)-c2ccc(cc2)C(CC34)=C(C(O)NC)C(N3F)=CC4 -MOL_01_001271,n1ccnc(c12)c(F)c(CNCF)c(=O)n2-c3ccccc3 -MOL_01_001272,C1CCNC1C(O)N(C2)CCc(c23)c4c(c(n3)F)nccc4 -MOL_01_001273,Fc(c1)ccc(c12)C(C(F)=C2NC(F)O)Nc3ccc(C(F)F)cn3 -MOL_01_001274,c1cc(F)ccc1C(F)C(C=2c(cc3)ccc3F)=NC(C24)=NC(F)=NC4=O -MOL_01_001275,CCCc1cccc(c12)nc3c(n2)C(N)c4c(C3=N)ccnc4 -MOL_01_001276,c1cccc(c12)nc(F)n2C3CCN(CC3)C(CC)c4ncnn4C5CCCCC5 -MOL_01_001277,NCc1ccc(cc1)-c2c(N)cn(c23)c(O)cc(n3)-c4cccnc4 -MOL_01_001278,CCNC(O)Cn1cc(C(F)(F)F)c(c12)c(c3c(n2)cccc3)-c4ccccc4 -MOL_01_001279,CCC(F)CC(O)Cc1c(O)cc(c(c12)c(C)cn2C)-c3ccccc3 -MOL_01_001280,C1CCCCN1CCCNc(c2)c(CN)cc(c23)c(ncn3)Nc(c4)ccc(c45)CCN5 -MOL_01_001281,CC(N)c(c1)cc(F)c(c12)n(-c3cccnc3)c(c2)-c4ccccc4 -MOL_01_001282,c1cccc(c12)N=C3C(C2=O)=Nc4c3ncc(F)c4 -MOL_01_001283,CCCc(n1)nc(C(F)O)c(c12)nc(F)n2-c3cccc(C)c3 -MOL_01_001284,Fc1cc(ccc1)-n(cn2)c(O)c(c23)ncc3-c4ccccn4 -MOL_01_001285,C1CNCC1n2cnc(c23)cc(nc3)C(=O)NCCCC4CCCCC4 -MOL_01_001286,FC1(F)CNCC(N)NC1(C)c2cc(ccc2F)NC(=N)c3ccc(F)cn3 -MOL_01_001287,CCC(F)N1CNC(C1)Cc(c2)ccc(c23)ncnc3Nc4ccc(F)c(F)c4F -MOL_01_001288,CCc1c(C)nc(nc1F)NCC(=O)Nc2c(O)c(n(C)c2C)-c3ccccc3 -MOL_01_001289,c1cccc(n2)c1nc(c23)c(Nc(cc4F)ccc4)c(N)n3CCN5CCNCC5 -MOL_01_001290,n1cnc(F)c(c12)c(nn2C(F)C)CCc3ccccc3F -MOL_01_001291,Cn1c(F)c(c2c13)C(Cl)OOC(O)Oc(n2)cc3 -MOL_01_001292,O=c1cnc(c12)c3c(n(c2)CF)cn(cn3)-c4ccncc4 -MOL_01_001293,CNc1cc(CN)ccc1-c(c2F)nc(c(c23)cccc3)C(F)NCC(F)N4CCNCC4 -MOL_01_001294,NCc(c1)cnc(c12)c(ncc2)NCC3=NC=C(C3=4)C=C(C4)n5cccc5 -MOL_01_001295,C1CNCCC1C(C)(N)NC(=O)c2nc(ccc2F)-c(c3)ccc(c34)CC(=O)N4 -MOL_01_001296,CNC(O)c1ncccc1-n(n(N)c2=O)c3cccc(c3c24)ccc4 -MOL_01_001297,N1CCNCC1CNc(c(c23)cccc2)nc(n3)N4CNNCN4 -MOL_01_001298,CC(C)CCC(C1=O)C(=O)c2ccnc(c2c13)c(cn3)CCc4ccncc4 -MOL_01_001299,O=C(N1)Cc(c12)cc(cc2F)-c3c(F)cncc3CC(F)F -MOL_01_001300,FC(F)c1c(F)c(NF)c(nc1O)-c2ccc(cc2)N(C3)CC(C34)CCCN4 -MOL_01_001301,c1ccncc1-c(cc2O)nc(n23)c(cc3)-c4ccc(F)cc4 -MOL_01_001302,Fn1n(C)c(c12)cc3c(c2)ncnc3Nc(c4)ccc(c45)CNC5 -MOL_01_001303,Nc(c1)cc(F)n(c12)nc(n2)NCc3nc(cn3CCF)-c4ccccc4 -MOL_01_001304,Nc(c1)ccc(c12)c(CF)c3c4c2nccc4C(O)C(F)N3C -MOL_01_001305,CCc1ccc(cc1F)N(CC23CN2)C(N3)c4ccc(cn4)C(F)(F)O -MOL_01_001306,C1NC(=O)N(C12)Cc3c(c(CN)c(CN)c(c3)CN)c4c(C2)cc=5c(c4)=NCC5 -MOL_01_001307,Fc1cc(ccc1)NC(C)(C)C(=O)NC(N=2)=Cc(c23)c(C(F)(F)F)cc4c3=CC=C4 -MOL_01_001308,FNC(=O)Cn(c1O)cnc(c12)c3c(c2)nc(C(F)(F)F)cc3 -MOL_01_001309,Fc1ccccc1C2NCc(c(nc3)C(F)NCF)n3c(c24)ccc(c4)C -MOL_01_001310,Cc1c(F)ccc(c12)c(O)c(cn2)-c3cncn3-c4ccccc4 -MOL_01_001311,CNc1c(CN)cc(nc1NC)Cn2cc(F)c(F)c2C(=O)NCF -MOL_01_001312,c1cccc(c12)NC(C2=O)(NC)C3NCc(c34)cccc4 -MOL_01_001313,NCc(c1)ccc(c12)c(O)c(C(F)O)c(n2)-c(c3)ccc(c34)NNC4 -MOL_01_001314,CC(C)CCc1cccc(c12)ncc(c2O)OCCO -MOL_01_001315,FC(F)NC(O)Cn(nc1)c(O)c(c12)nc3c2nc(F)cc3 -MOL_01_001316,FCC(F)(F)NC(O)c1nn(-c2ccc(F)cc2F)c(c1F)-n3cccc3 -MOL_01_001317,C1OCCCN1c2c(C(O)NCF)c(F)nc(c23)nncc3 -MOL_01_001318,CCc(c(F)c1)cc(c12)NC(=O)C(F)(C2O)c3ccccc3 -MOL_01_001319,Cc1ccc(cc1)-n2ccc(c23)c(ncn3)N4CCC(C(F)O)OC4 -MOL_01_001320,CNc1nc(F)cc(n1)Cc2c(C3C=CC3)ccc(c2F)-c4cnc(F)cn4 -MOL_01_001321,FC1CCCC1n(ccc2=O)c(c23)nc(nc3F)OC4CCCC4 -MOL_01_001322,C1C=C=CC=C1C(C2O)N(C(N)N)c(c23)cccc3 -MOL_01_001323,CNc(c1)ccc(c12)c(ccn2)CCc3nnc(n34)ccc(c4)-c5ccncc5 -MOL_01_001324,OC(F)N(CC1)CNC12C/C(c3c(N2)ccc(C)c3)=N/CC(=O)Nc4ccccc4F -MOL_01_001325,Cc1cccc(c1)-n2ccnc2NCC(=O)c3cc(C)n(c3F)CC4CCCN4 -MOL_01_001326,c1ncc(c12)c(O)n(CC(F)(F)F)c3c2cc(C(F)O)c(c3)-c4ccncc4 -MOL_01_001327,FCc1ccnc(c12)NC(CC2NN=C(F)F)c3ccccc3F -MOL_01_001328,n1ccccc1-c(c2)n(c(C)c2C(=O)CCF)NC(O)NCc3ccc(F)cc3 -MOL_01_001329,COc(c1)c(NC)nc(c12)ncc(n2)-c3ccc(F)cc3 -MOL_01_001330,c1ccccc1CC(F)CC(C2=O)=c(c3=C24)cc(cc3NCNC4)-c5ccccc5 -MOL_01_001331,FCc(c1)c(CF)cc(c12)nc(N3CCC=C3)nc2NCNCC4CC=NCN4 -MOL_01_001332,c1cnccc1NC(O)c(c2-c3ccccn3)c(F)nc(c24)cccc4 -MOL_01_001333,c1ccccc1NNCN(O)Nc(c(F)n2)cc(c23)C(F)(F)NCC3(F)F -MOL_01_001334,Nc1c(F)cc(C)c(c12)C(O)Cc3c(N2)c(F)c4c(c3F)CNC4O -MOL_01_001335,CNc1cccc(c1)-c2cn(c(n2)-c3cnccn3)Cc4ccccc4 -MOL_01_001336,c1ccccc1-c2cn(C(F)O)c(n2)-c3ccncc3 -MOL_01_001337,c1cccc(c12)C=C3C(C2=O)=CC(=C3)C(O)C(NC)C4NCNCN4 -MOL_01_001338,CCNc1ccccc1-n2c(cnc2O)C3CC(=O)N(C)C3 -MOL_01_001339,CNc1cccc(c1)-c2c(CF)c(F)nc(c23)CCCC3O -MOL_01_001340,CN(C)CCNC(O)CN1C(=O)CCn(c12)cc(c2)-c3cn(C)c(c34)cccc4 -MOL_01_001341,C1CC(C2)C(CC12)C=3C(CNC(=O)C)=Cc(c34)cnc5c4=CC=C5 -MOL_01_001342,C1CCCNC1c(c2F)cc(C(F)F)c(n23)nc4c3cc(cc4)CC5CNCNC5 -MOL_01_001343,N1NCCc(c12)n(CNCF)c3c2cc(cc3)-c4cnc(F)nc4 -MOL_01_001344,CNc1cccc(c12)C=C3C2=CC=C(C3=O)c4ccccc4CN -MOL_01_001345,c1ccccc1-n(cc2C)c(c23)cc(nc3O)C4CCN(CC4)c5cccnc5 -MOL_01_001346,NCNCCNc1cc(ccc1C(F)F)-n2cc(F)c(c23)C(F)CNC3 -MOL_01_001347,c1cccc2=CC(=O)C(C3=c12)=CC(=N3)C(=O)N4CCN(CC4)c5ccccc5 -MOL_01_001348,Fc1ncc(F)n(c12)nc(n2)CCc3nc(N4CCCC4)cn3-c5ccccc5 -MOL_01_001349,O=C1C(F)C(O)N(CF)c(n12)cc3c2cccc3 -MOL_01_001350,c1cccc2=NC(=O)C(C3=c12)=CC(=N3)C(F)NCc4ccc(NF)cc4 -MOL_01_001351,CNCc1cc(nc(F)n1)Nc2c(C3CCC3)ccc(c2F)-c4cnc(F)cn4 -MOL_01_001352,O=C(F)Cc(c1F)c(O)nc(c12)c(F)c(cc2)NCc3ccc(cn3)-c4ccccc4 -MOL_01_001353,Fc1nc(F)nc(c12)n(cc2C(F)O)CC(F)CCF -MOL_01_001354,Oc(n1)c(C)c(O)c(c12)nc(-c3ccccn3)nc2CCCC -MOL_01_001355,CNc1ccc(cc1)-c(n2)cc(c23)c(O)n(nc3)CC(O)NCc4ccc(F)cc4 -MOL_01_001356,c1cccc(c12)c3c(c(c2O)CCC)c4c(C3=O)cc5c(c4)NCN5 -MOL_01_001357,FC(F)(F)c(c1)ccc(=C(C(F)O)N2C(=O)F)c1=Nc(c23)cccc3 -MOL_01_001358,NCCCNc1nc(c2c(n13)nccc3)c(nc2)-c4cccnc4 -MOL_01_001359,CNc(c1)ccc(c12)C(F)(F)Nc3c2ccc4c3nc(F)nc4 -MOL_01_001360,Fc1ncc(cc1)CCc2c(ncnc2CC)-c3ccc(c(F)c3)C(O)N4CCC(OC)CC4 -MOL_01_001361,FNc1ccc(cc1)C2CNCN2C(F)c(c(F)n3)cc(c34)NCC4 -MOL_01_001362,CNC(=O)c(c1)ccc(c12)c3c(c(n2)F)nc(CNCF)n3NCCNF -MOL_01_001363,OC(F)Nc(n1)cn(c12)cc(cc2)-c3cccc(c3)NCF -MOL_01_001364,n1cncc(c12)C(O)C(C(F)=C2F)Oc3ccccc3CCF -MOL_01_001365,c1cccc(N(C)C2=O)c1C23NCCO3 -MOL_01_001366,c1cccc(c12)C(O)c3c(C2O)c(cn3C)-c4ccc(F)cc4 -MOL_01_001367,O=C(F)CCc(c1F)c(F)cc(c12)nc(cc2O)-c3cccnc3 -MOL_01_001368,n1ccc(c12)n3c(c2)c(O)n(nc3C)CC(=O)N4CCN(CC4)c5ccccc5 -MOL_01_001369,C1CCCNC1NC=2C(=NC(C23)=C(C=N3)CN)c4cccc(F)c4 -MOL_01_001370,c1ccncc1-c(cc2)cc(c23)C=4C(=NC3=O)C=C(N4)c5ccccc5 -MOL_01_001371,Nc1c(N)cnc(c12)c3c(NC2)c(CF)c(N)c(F)c3 -MOL_01_001372,FC(F)(F)c1ncccc1-c(n2)ccc(c23)ncnc3NCc4cccnc4 -MOL_01_001373,C1COCCC(N12)N(c3c(C2O)cccc3)Nc4cccnc4 -MOL_01_001374,OC(F)c(n1)cc(n12)nc(cc2F)-c3ccc(NCF)cc3 -MOL_01_001375,c1ccccc1C(F)N2C=NC(=NC2)C3c(ccc(F)c4)c4C=Cc(c35)cccn5 -MOL_01_001376,N1CCCc(c12)cccc2C(=O)NC(C(=O)F)(N3)Cc(c34)ccc(c4)C(F)O -MOL_01_001377,c1cccnc1C(=O)Cc2ncc(F)cc2CN(C3O)C(=O)c(c34)nc(F)cn4 -MOL_01_001378,FCCCCNc1nc(n2c(c13)cccc3)c(nc2)-c4ccccc4 -MOL_01_001379,CCc1ccc(cc1)CC(C=2C)=NC(C23)=C(C)C(=O)N(C3=O)Cc4ccccc4F -MOL_01_001380,FCC1CN(CN1)c2cc(nc(n2)N3CCC3)-c4cnc(F)c(c4)CC(F)F -MOL_01_001381,Fc(c1)ncc(N(C)C2O)c1C23CCN(CC3)CC4CCCNCNC4 -MOL_01_001382,C1CNCc(c12)c3c(nc2F)cc(C)cc3NCC(F)N4CCC(C(=O)F)CC4 -MOL_01_001383,FC(F)n(n1)c(=O)cc(c12)CN(CN2)c3ncnc(c34)cccc4 -MOL_01_001384,Fc1ccc(F)c(c1)-c2cc(c(F)cn2)Nc3ccnc(c34)ccn4CC(F)F -MOL_01_001385,n1cc(F)n(c12)cc(nc2NF)-c3nc(F)c(F)n3Cc4ccncn4 -MOL_01_001386,NCc1cccc(c12)N(CC2)C(O)C(F)(F)CCc3ccc(C(F)(F)F)cc3 -MOL_01_001387,Fc1cnc(F)nc1N(CCF)CC(F)(Cn2ccnc2)c3ccc(F)cc3F -MOL_01_001388,O=C1CCC(C12)c3c4n(CC2)c(O)nc4cc(F)c3 -MOL_01_001389,c1cccc(c12)n3c(cc2F)nnc3NCc(c4)ccc(c45)NCC5 -MOL_01_001390,NCc(c1)ccc(n2)c1c(c(c23)cnc(F)n3)NCCNC(O)NCc4cccnc4 -MOL_01_001391,N1NC(O)CC(C=NC2)=NC2N(C3=C(C1=4)C=CC4)Cc5c3cccc5 -MOL_01_001392,FCc1ccc(cc1)Cn2c(C(F)F)c(c(c23)ccc(F)c3)NNC4=NCN=NC4 -MOL_01_001393,Oc1nc(F)nc(c12)n(cn2)-c3ccc(cc3)C(F)(F)N4CCCCC4 -MOL_01_001394,c1cc(F)cc(c12)nc(O)n2C(Cc3ccccc3)C(O)NCc4ccccc4 -MOL_01_001395,Cc1ccc(cc1)Nc(c(C(C)O)c2O)nc(c23)c(C(F)O)cc(F)c3 -MOL_01_001396,CN(C)CCn1c(CC(C)(C)C)nc(c12)cc(cc2)C(Cl)(O)C3CN(C3)C(Cl)(C)O -MOL_01_001397,Cc1ncc(n12)CNc3c2c(F)cc(c3)-c4cncc(F)c4 -MOL_01_001398,N=1C=Cc(c12)c3c(cn2)=CN=C3C4CCN(CC4)Cc5ccncc5 -MOL_01_001399,n1c(Cl)oc(c12)C(=O)C(Cl)C(O)N2CCl -MOL_01_001400,Cn1c(CN)ccc1-c(c2)ccc(c23)NC(O)C3(CF)CCl -MOL_01_001401,CNC(F)c(c1)ccc(c12)c3c(c(n2)F)nc(CCCF)n3CNCCF -MOL_01_001402,CNc1ccc(cc1)-c2ccccc2Cc(n3)nc(F)c(c34)ccn4C5CCNCN5 -MOL_01_001403,CCN(C)C(=O)c1ccc(cc1F)-c2ncnc(CF)c2CCc3ccc(F)nc3 -MOL_01_001404,Cc1cc(NF)cc(c1)C(=C23)C(C=C2)=C4c5c(NC4)cc(cc5)NCC(F)NC3 -MOL_01_001405,Cn1ccc(c1)-c2nc(ccc2NF)C(=O)NC(NC(F)O)c3ccc(F)cc3 -MOL_01_001406,c1cccnc1NCN(N2)C=NC(C23)=c4c(cccc4)=C3c5ccccc5 -MOL_01_001407,CCNc1ccccc1-c(c2)cc(O)c(c23)n(CC(=O)F)cc3-c4ccccc4 -MOL_01_001408,c1nccc(c12)nc(n2C(N)N)CC3C(=O)Nc(c34)ccc(F)c4 -MOL_01_001409,c1ccc(c2c13)c(c(C=O)c2c3)NNc4cccc(c45)cccc5 -MOL_01_001410,c1cccc(c12)C(N)=C3C(C2=N)=CC(=O)c4c3cccc4 -MOL_01_001411,Fc1cccc(c1)Nc2ccc(c(F)c2)-c3nc(C4CCN4)n(c35)ccnc5F -MOL_01_001412,N1CNc(c12)ccc(c2)NC(=O)C(N3)Cc(c34)c(ncn4)-c5cccnc5 -MOL_01_001413,Cn1c(O)c(C)c(O)c(c12)nc(n2)CNCc3ccccc3F -MOL_01_001414,Fc1cc(ccc1)Nc(n(N)c2O)nc(c23)cc(n3)-c4ccccc4F -MOL_01_001415,Nc1cccc(c1)C(CNC)NC(F)c2ccc(cc2F)-c3nc(cnc3F)C4CCC(F)CC4 -MOL_01_001416,CC(C)CNC(F)Nc1ccc(cc1)-c(c2F)cnc(n23)c(cn3)-c4cccc(c4)N5CC=NCC5 -MOL_01_001417,c1cccc(c12)ncc(c2C(O)CF)-c3cccnc3 -MOL_01_001418,CN(C)CCCNc1c(ncc(c2)C(=O)F)c2nc(c13)n(C)cc3N -MOL_01_001419,CC1=CCN(CC1)c(c(c2)CN)cc(c23)C(NCC3F)C(F)(F)c(c4)ccc(c45)cccc5 -MOL_01_001420,Cc1c(=O)n(C)c(O)c(c12)c(F)c(c(n2)F)Cc3ccccc3 -MOL_01_001421,O=C(N=1)C=Nc(c12)c(c=3c(c2F)N=CC3)NC/C=C(\F)CCC=C(F)F -MOL_01_001422,c1ccncc1C2NC(F)c(nnc3F)n3c(c24)ccc(F)c4 -MOL_01_001423,Cc(c1)ncc(c12)c3n(cc(C)cc3)c4c2nc(c4)-c5ccc(C)nc5 -MOL_01_001424,FCc1c(CF)cc(cc1NN)C2NC(F)NC(C)=C2C(=O)NCc3ccc(F)cc3 -MOL_01_001425,CNc1ccc(cc1)Cc(c2O)c(F)cc(c23)cc(cc3)C(=O)NCCNC4CCCNC4 -MOL_01_001426,FC1CC(F)(F)Nc(c12)nc(O)c(c2)C(F)Nc3ccccc3F -MOL_01_001427,Cc(c1)ccc(c12)C=C3C2=NCN(C3c4ccc(N)cc4)C(N)NCc5ccccc5 -MOL_01_001428,CN1CCCNC1Cn2cc(c(c23)cccc3)C(O)c4cnccc4F -MOL_01_001429,c1cc(F)cc(c12)n3c(CN2)nc(c3O)Cc4ccc(F)cc4 -MOL_01_001430,FCc1ccc(cc1C(F)(F)F)N(C(NC)C23CNC2)C(=O)N3c4ccc(F)cc4 -MOL_01_001431,C1CC1CN(CC2CN2)c3nc(CC)c(nc3CF)-c4ccc(F)cc4F -MOL_01_001432,Cc1cccc(F)c1NC(O)C2CCN(CC2)C(O)Cn3c(O)nc(c34)ccc(F)c4 -MOL_01_001433,O=C(F)N1NCCc(c12)cc(cn2)-c3cncc(c3)NCc4ncccn4 -MOL_01_001434,NCc1ccc(cc1)-c(c2)cc(O)c(c23)C(C4C(C3)=CCCN4)c5ccc(N)cc5 -MOL_01_001435,C1CNCCN1Cc(n2)cc(c23)c(O)c(cn3C)C(=O)NCc4ccc(F)cc4 -MOL_01_001436,c1ccncc1NC(F)C(N2)Cc(c23)c(ccn3)-c4ccccc4Nc5ccccc5 -MOL_01_001437,Fc1ccnc(c1)-c2cn(c(c23)ncnc3F)-c4ccncc4 -MOL_01_001438,OC(F)Cc(c1O)nc2c(cccc3)c3c(c2c14)ccc4 -MOL_01_001439,CNCCCCNc1ccc(cn1)C(=O)c2c(F)c(n(C)c2F)NCC(F)O -MOL_01_001440,FC(F)(F)N1CCC(CC1)Nc(c2)c(NC)nc(c23)ncnc3Nc4cncc(F)c4F -MOL_01_001441,Fc1cccc(c12)NC(=O)C\2=C\C(O)c3ccncc3 -MOL_01_001442,CCc(c1)ccc(c12)nc(n2C3CO3)-c4cccnc4 -MOL_01_001443,NCc(c1)c(CC)nc(c12)c(ncn2)N(C)c3cccc(C(F)(F)F)c3 -MOL_01_001444,Fc1cc(F)cnc1Nc2cc(C)c(cc2)-c3c(F)c(O)nc(=O)n3C -MOL_01_001445,c1nc(N)cc(c12)nc3c(c2F)Cc4c3cncc4 -MOL_01_001446,FCNCCn1c(=O)c(c(F)c(c12)cccc2)C(O)Nc3ccccc3F -MOL_01_001447,Cn1cc(Cl)c(c12)c(c(cn2)C(O)NCF)Nc3ccc(C(F)F)cc3 -MOL_01_001448,CCCCN(C(N)C1)c(c12)n3c(nc2C)ncc3 -MOL_01_001449,ClCCN1C(=O)CCc(c12)ccc(c2)N(C3O)C(=O)C(=C34)CCCC4 -MOL_01_001450,CCc1cc(nc(n1)CC)-c2nc(C3CC3)cn2-c4ccnc(C)c4 -MOL_01_001451,c1cncc(c12)C(O)N(c(cc3)ccc3F)C(N2)c4cccc(F)n4 -MOL_01_001452,OC1NCCC1Nc2cnc(-c3ccncc3)n2-c4ccccc4F -MOL_01_001453,Cc1ccnc(c1)NC(=O)N(C2)CC(C23)CN(N3)c4ncc(C(F)(F)F)cc4F -MOL_01_001454,Fc1nccn(c12)c(C3NCN3)nc2-c4cc(NC)c(cc4)Nc5cccc(F)c5 -MOL_01_001455,CC(C)N1CCN(CCC1)c(c2)c(CNC)cc(c23)ncc(C(F)O)c3Nc4cccc(F)c4F -MOL_01_001456,CCc1ccc(cc1)C23C4=CC=C(C2O)C3=C4CO -MOL_01_001457,C1CNCCN1C(c(c23)cnc(F)n2)Nc4c3cccn4 -MOL_01_001458,c1cccc(C(O)N2)c1C23CCN(CC3)C(F)Nc4ncc(cn4)-c5ccc(C(F)(F)F)nc5 -MOL_01_001459,NCc(c1)c(CN)nc(c12)c(c(F)nc2C)NC(=O)Nc3ccnc(C(F)(F)F)c3 -MOL_01_001460,Fc(c1)ccc(c12)N(C)C(O)C(NC2=O)Cc3ccc(cc3)-c4cccc(F)c4 -MOL_01_001461,c1ccnc(N2)c1C(c(c23)cccc3)C(=O)NNCc4ccccn4 -MOL_01_001462,Fc1ccc(F)c(c12)nc(c(c2O)C(C)O)Nc3ccc(F)cc3F -MOL_01_001463,Nc1cccc(c1)-c2ccc(cc2)C(=C34)C(CNN3)C4c(c5)ccc(c56)nc[nH]6 -MOL_01_001464,c1ccncc1-c2cc(-c3ccccn3)nc(c24)ncc(c4)C(F)(F)F -MOL_01_001465,NCc1ccc(CN)c(c1)NC(F)Cn2cc(c(c23)ccnc3)C(O)c4ccccc4 -MOL_01_001466,CNCCCc(c1F)c(CF)cc(c12)c(F)nc(n2)N3CCN(CC3)C(O)CC4CCCN4 -MOL_01_001467,c12n3c(cc1)nccc3c(NF)c2-c4ccc(F)cn4 -MOL_01_001468,O=C1N=C(O)N=C(C1=2)C(=C(N2)NC(=O)F)Cc3cccnc3 -MOL_01_001469,CC(O)Nc1c(C(O)NCCl)nc(O)n1-c2cccnc2 -MOL_01_001470,C1CCC(F)NC1(CF)c2cc(ccc2Cl)NC(=O)c3cnc(cn3)OCCON -MOL_01_001471,Cn1ccc(c12)c(ncn2)Nc(c3)ccc(c34)n(C)c(n4)Nc5cccc(F)c5 -MOL_01_001472,FC(F)(F)Cn1c(F)c(C(=O)F)c(c1)-c(c2)cnc(c23)cc(cc3)NCF -MOL_01_001473,CNC(O)NCC1C(=O)N(c(c12)ccc(F)c2)CN3CCCCC3 -MOL_01_001474,CNc1cccnc1-c(nc(c23)cccc3)c(n2)-c4ccccc4CF -MOL_01_001475,OC(F)NCC1CNc(c12)n(F)c3c2cccc3 -MOL_01_001476,c1cccc(c12)c(N)c(c(=O)n2CC=C)C(O)Nc3ccccc3F -MOL_01_001477,CCc1ccc(cc1)-c(nc2)cc(n23)nc(c3)C(C)NC(O)C4CC4 -MOL_01_001478,CNc1cc(C)c(c(C)c1)-c2ccc(cc2)CNC(C3)CCc(n34)nc(c4)N(C)C -MOL_01_001479,C1NNCNc(c12)nc(Nc3ccccn3)nc2-c4ncc(F)cc4 -MOL_01_001480,CC(C)OCc1ccc(nc1)-c2c(CN)c(F)nc(c2CN)CCC(F)O -MOL_01_001481,CCCCC1(C(F)(F)Cl)NC(O)Nc(c12)ccc(F)c2 -MOL_01_001482,CNC(=O)Cn1cc(N2CC2)c(c1C3CN3)Nc4ccc(CF)cc4 -MOL_01_001483,FCNCN1CN(NNCF)C(c2c(F)cncc2F)N1c3c(F)cccc3F -MOL_01_001484,Fc1nccc(c12)ccc(c2)C3=C(C=CC3=O)c4ccnc(n4)NC5CCCCN5 -MOL_01_001485,c1cccc(c12)c(cn2CC(=O)F)CC(CF)C(O)Nc3ccccc3F -MOL_01_001486,N1NCC=C(C1=2)c3c(C2O)cccc3CC(N)Cc(c4)cc(NC)c(c45)cccc5 -MOL_01_001487,Fc1cc(F)ccc1CCN(C2=O)C(=O)CC(C2=3)c4c(NC3F)cc(F)cc4 -MOL_01_001488,c1ccccc1NC(O)C(c(c2c34)ccc3)C(=O)N2c5c(N4)cccc5 -MOL_01_001489,c1nccc(c12)nc(F)c(C(O)CF)c2-c3ccccn3 -MOL_01_001490,N1NCC(O)=C1c2ccc(cc2)-c(c3)ccc(c34)C5=C(CC4)C(NC5=O)CO -MOL_01_001491,CNC1CC(C1)N2CCc(c23)c(-c4ccc(N)cc4)cc(n3)N5CCCCC5C -MOL_01_001492,FCC(F)C(=O)CC(F)(F)C(N1)Cc(c12)c3c(cn2)ccc(c3)O -MOL_01_001493,c1ccccc1C(C2=O)=CC(C23)c4c(CN3)cc(CN)c(c4)NC -MOL_01_001494,CN1CCN(CC1)c2c(F)c(O)nc(c23)ccnc3 -MOL_01_001495,c1cccc(c12)ccc(c2)NN3C(O)C(=O)c(c34)cc(cc4)C(O)(O)C5CNCCN5 -MOL_01_001496,FCc(n1)nc(c12)c(O)n(C)c(=O)n2NC(F)F -MOL_01_001497,C1CC(F)NCN1Cn2cc(-c3ccccc3)c(c24)cnc(n4)NCCCN5CCNCC5 -MOL_01_001498,n1ccnc(c12)N(C(=O)C2(F)F)c3ccc(F)cc3 -MOL_01_001499,CC(F)c1cccc(c1)-c2c(CN)c(CN)c(F)n2-c3ccc(CN)cc3 -MOL_01_001500,n1cnc(F)c(c12)C(=O)N(CCN2)c3ccc(cc3)C4CCC(CF)NC4 -MOL_01_001501,CCNCn1c(nc(cc2)NCN)c2c(c13)ncnc3F -MOL_01_001502,Oc1c(C)ccc(c12)cc(nc2NC3CC3)-c4ccc(cc4)NC(C)O -MOL_01_001503,Cc(c1)ccc(c12)nc3c2cn(cc3)C(O)CN4CCN(CC4)Nc(c5)ccc(c56)CNC6 -MOL_01_001504,Fc(n1)cc(C)c(c12)nc(NC)n2Cc3ccc(cc3)NC(O)CC(F)(F)F -MOL_01_001505,c1cccc(c12)nc(c(n2)NCF)C(O)N3CCN(CN3)c4cccnc4 -MOL_01_001506,Nc(n1)nc(N)c(c12)c(ccc2)CCC3CCN(CC3)Cc4ccc(F)c(F)c4 -MOL_01_001507,OC(F)c(n1)cc(n12)nc(cc2Cl)-c3ccccc3 -MOL_01_001508,c1ccccc1NC2=C(C(=O)C=C2)N(C3O)C(N)c(c34)cccc4 -MOL_01_001509,c1ccccc1-c(ccc2)c(c23)nc(n3C)Nc4nc(O)cc(n4)N5CCOCC5 -MOL_01_001510,Fc1ncc(cc1)N(CC23)C(=C(N2N)CN3)NCc4ccc(F)cc4 -MOL_01_001511,FNc(c1)c(C)cc(c12)ncc3c2cc(nc3F)-c4cccnc4C -MOL_01_001512,FCc1c(NC)c(CC)cc(c12)c(F)nc(n2)N3CCN(CC3)C(=O)CC4CCCCN4 -MOL_01_001513,CN(O)c(n1)cc(cc(c2)C(F)O)c3c2c(c4c13)cccc4 -MOL_01_001514,FC1CNCNN1c2nc(nc(c23)cccc3)-c4ccc(C(F)(F)F)cc4 -MOL_01_001515,FC(F)(F)c1cc(ccc1)NC(O)c2cc(-c3ccncc3)n(c2F)CCCN4CCOCC4 -MOL_01_001516,CC(O)c1c(F)n(F)c(c12)cc(cc2)NC(O)c(n3)cnc(c34)cccc4 -MOL_01_001517,CNc1ccc(c(F)c1)N2CC(O)Nc(c23)c(cc(n3)F)NCCCF -MOL_01_001518,c1ccccc1CCC23c4ccc(cn4)N=C5CNC(C(N)N)(NC5)N(CN2)CC3 -MOL_01_001519,c1nccc(c12)CCN2C(O)C3CCN(CC3)C(F)(F)c4cccc(c45)cccn5 -MOL_01_001520,c1ccnc(c12)nc(c(F)c2C(=O)N(CF)CF)N3CCN(F)CC3 -MOL_01_001521,C1CCCC1Cn2c(c(F)c(O)nc2=O)C(O)c3cc(F)cc(F)c3 -MOL_01_001522,CC(F)(F)C(O)N(C1)Cc(c2n(c13)cnc3)cc(cc2)N4CCCNC4 -MOL_01_001523,FC(F)(F)c1ccc(cn1)-n2ccnc2-c(c3)cc(n34)CNCC4 -MOL_01_001524,Fc1nc(F)ncc1C(=O)N(C(F)CC2)c(c23)ccnn3 -MOL_01_001525,CNC(=O)c1cccc(n1)-c2c(C)nc(F)n2Nc3cccc(F)c3 -MOL_01_001526,Fc(n1)ccc(c12)ncn2-c3ccccc3NC(F)(F)F -MOL_01_001527,C1CNCNC1Nc2c(nc(n23)ccnc3)C(F)CCCNc4ccccn4 -MOL_01_001528,c1cnccc1-c2nn(CC(F)CF)cc2-c(c3)ccc(c34)C(NF)CN4 -MOL_01_001529,CCc1ccc(nc1)N(C)c2nc(F)nc(c23)CCC3 -MOL_01_001530,Nc1cnc(n12)CCC(c3c2ccc(F)c3)N4CCCCC4 -MOL_01_001531,FC1CCN(CC1)c2n(-c3ccnc(c3)N)c(nc2)-c4ccc(F)cc4 -MOL_01_001532,FNCCN(C)COCC1(c2ccc(F)cc2)NCc(c13)nc(cn3)CN -MOL_01_001533,CC(=O)CCc1cccc(c12)N(C3CC3)c4c(C(N2)O)cccc4 -MOL_01_001534,CCC(F)(C(=O)N1)NC(O)c(c12)cc(cc2)C(F)(F)Nc3ccc(CC(F)F)nc3 -MOL_01_001535,c1ccccc1C(NF)n2cc(c(c23)c(F)ncn3)-c4ccccc4 -MOL_01_001536,Fc1cnc(cc1)C(=O)c2c(F)nn(c23)CNCCCC3 -MOL_01_001537,CC(C=1)=NC(C12)=NC=C(C2=O)c3ccnc(n3)NC4CCCCC4 -MOL_01_001538,CCN1CCN(CC1)c(n2)cc(C)c(c23)nc(cc3)NC(=O)c4cc(F)cnc4CN -MOL_01_001539,Cc1ccccc1NCc2nc(N)c(O)c(C(=O)O)c2C(=O)F -MOL_01_001540,OCNC(C(=O)C=1)=CC(C12)=c3c(cccc3)=C2C(O)c4ccccc4 -MOL_01_001541,c1cncc(c12)nc3c(c2F)C(CCO3)Nn4cccc4 -MOL_01_001542,FCCn(c1O)c(O)nc(c12)nc(n2)-c3ccc(cc3)CCC(F)O -MOL_01_001543,FC1(F)CN(C1)C(O)C(=O)Cn2cnc(c2)-c3cc(C(F)(F)F)cc(C(F)(F)F)c3 -MOL_01_001544,n1ccc(c12)n3c(c2)c(O)n(nc3C)CC(O)N4CCC(F)CC4 -MOL_01_001545,c1ccc(F)c(c12)C(O)c3c(cncc3F)N2C(O)CCc4ccccc4 -MOL_01_001546,FCNc1cccc(F)c1C2NC(F)C(=O)N2Cc3ccnc(c3)-n4cccn4 -MOL_01_001547,CCCN(C1=O)C(=O)C(CCC)=C(C1=2)N=C(N2)C3CCC(C(O)O)CC3 -MOL_01_001548,Fc1c(F)cccc1C(=O)N(NC2)Cc(c23)ncnc3-n4cccc4 -MOL_01_001549,c1ccccc1CC(C2=O)=C(O)C(CCNC)=C3C=C(C4=C23)CCNCN4 -MOL_01_001550,CCc1ccnc(c1)CN(F)C(C=2)=NC(C23)=CN=C3C(O)CC -MOL_01_001551,CNc1ccc(cc1NC)CC2=NC=C(C2=3)N=C(N3)c4ccnc(c45)cccc5 -MOL_01_001552,c1cccc(c12)nc(F)c3c2n(CC(F)F)c(n3)NCc4ccccc4 -MOL_01_001553,CC(F)c(n1)cn(c12)CCC(F)(C2)CNc3ccc(cn3)-c4ccc(F)nc4F -MOL_01_001554,NCc1c(NC)c(NC)cc(c12)CCC(NC(F)O)c3c2ccc(c(=O)c3)NC -MOL_01_001555,FCC(F)(C)CCc(c(F)c1)cc(c12)c3n(CCN2)cc(n3)C(=O)F -MOL_01_001556,c1cccc(c12)C(O)N(c(cc3)cnc3F)C(N2)c4ccccn4 -MOL_01_001557,CCCN(C(Cl)C1)Cc2ccnc(c2n13)nc3O -MOL_01_001558,FCC(=O)C(CF)N(C1(F)F)C(=O)C(N12)Cc3c(C2)cccc3 -MOL_01_001559,C1NC1c(c2F)nc(n23)ccc(c3)NC(O)c4ccc(cc4)-c5ccc(F)cn5 -MOL_01_001560,C1CCCN1C(O)C(=C2)c(cccc3)c3C24CNNCN4 -MOL_01_001561,Fc(c12)ccc(c1)c3c(cncc3)CN(OC2F)c4cc(C(F)(F)F)ncn4 -MOL_01_001562,NCCNNCC(O)CC1=C(C(=O)C(C)=CC2)C=2c(c13)cccc3 -MOL_01_001563,CCCCNC(O)CCC(=O)C(N=1)=CC(C12)=C(C)N=C2c3ccccc3 -MOL_01_001564,c1cccc(c12)nc(NC(F)F)c3n2c(F)c(n3)-c4ccc(NC)cc4 -MOL_01_001565,CNc1cc(c(F)cc1F)-n(c2O)cnc(c23)c(C)nc3 -MOL_01_001566,CC(C)c1cccc(c1)CC(=O)c2nccc(n2)N(C3)CCc(c34)nc(F)nc4 -MOL_01_001567,Fc1ccc(cc1)CN2CCN(C23)CC(OO3)N4CCc(c45)nccc5 -MOL_01_001568,c1nc(C)cn(c12)c(CF)c(n2)-c(c(F)n3)cc(c34)cccc4 -MOL_01_001569,FNc(n1)c(NC)cc(c12)CCNC2CC(F)c3ccc(C(F)(F)F)cc3 -MOL_01_001570,c1cccc(c12)nc3n2C(CC(O3)O)c4ccccc4F -MOL_01_001571,Fc(n1)ccc(c12)CC(F)=C(O)N2Cc(c3)ccc(c34)CNC4 -MOL_01_001572,FC(F)Cn1c(C)c(F)c(c12)ccnc2NCc3ccc(F)nc3 -MOL_01_001573,Fc1cc(F)c(cc1F)-c2nnc(n23)NCC(C3)Nc4c(F)cccc4F -MOL_01_001574,O=C(N)N(C1)CNc(c12)n(CC3NC3)cc2-c4ccccc4 -MOL_01_001575,N1CCC(Cl)CC12C(=O)N(N=C2C)c3cccc(F)c3 -MOL_01_001576,c1ccccc1C2=C(C(O)CN3)C3Cc(c24)c5c(cc4N)cccc5 -MOL_01_001577,Fc1ccc(cc1F)N(N2F)C(O)Nc(c23)cc(F)c(n3)F -MOL_01_001578,C1CCCCN1C(O)Cn(nc2)c(O)c(n23)cc4c3cc(n4)CF -MOL_01_001579,Nc1ccccc1C(F)(F)Cc2cccc(c2)C(C3CN3)c(c4N)c(F)cc(c45)CNCNCC5 -MOL_01_001580,NCNCCC(C1=O)=C(F)C(C)=C2C=C(C3=C12)N(CNC3)Cc4ccccc4 -MOL_01_001581,c1ccccc1-c(n2)nc(c(c23)cc(CF)c(NF)c3)N4NCN(CN4)c5ccccc5F -MOL_01_001582,c1ccccc1-n2cc(C(=O)F)c(n2)-c(c(n3)O)cc(c34)cccc4 -MOL_01_001583,c1cccc(c12)c(NCNN(F)F)c3c(n2C)c4c(n3)cccc4 -MOL_01_001584,FC(F)(F)c(c1)ccc(c12)n(c(F)c2C(O)NNF)Cc3ccccc3 -MOL_01_001585,Fc1c(C)c(F)c(F)c(c12)c(c3c(c2O)CCCN3)C(O)c4ccccc4 -MOL_01_001586,CCC(NC)CNC(O)c(c1)ccc(c12)n(c(n2)F)-c3cccc(F)c3 -MOL_01_001587,Cn1ccc(c12)c(ccc2)NC(O)Cc3ccncc3 -MOL_01_001588,NCCCn1cnc(c1C(F)O)-c2ccc(CCl)cn2 -MOL_01_001589,c1ccccc1CC(C(=O)NCC)NC(F)CCc2ccccc2 -MOL_01_001590,N1CNCOC1n2c(c(F)nc2O)-c3ccc(NC(F)F)cc3 -MOL_01_001591,O=C(N=1)N=C(O)C(C12)=C(C=N2)CC(N=3)=CC(C34)=C(N=C4)CNc5ccc(F)cc5 -MOL_01_001592,NCN(O)c1n(C)c(cc1)C(F)(O)N2CCCN(CC2)Cc3ccc(F)cc3 -MOL_01_001593,Fc(c1)ccc(c12)NC(=O)NC2(C(F)(F)F)CNC(=O)c3cccc(F)c3 -MOL_01_001594,NCc(c1)c(NC)cc(c12)ncnc2Nc3cccc(n3)CF -MOL_01_001595,c1cccc(N2)c1N(C(O)CNC3)C23c4ccccc4 -MOL_01_001596,CN1CCN(CC1=O)C(O)c2cc(ccc2F)Nc3cnc(O)c(c34)CNCC4 -MOL_01_001597,FCCC(O)Nc1cc(ccc1C)-c2nnc(n23)c4c(c(F)c3)cccc4 -MOL_01_001598,n1cccnc1-c2ccc(F)cc2C(F)N(C3)CC(N34)CN(C4)c5nc(F)cc(F)n5 -MOL_01_001599,c1cncn1CC(C(F)(F)C)NC(O)c2cc(nc(c23)cccc3)N4CCNCC4 -MOL_01_001600,CCCNC(C1(F)Cl)C(=O)NN1c2cnccn2 -MOL_01_001601,OCCNc(ncc12)c(c1)N(N)OC(c3ccccc3)NCC2NCc4ccc(F)cc4 -MOL_01_001602,FCc(c1)c(CN)cc(c12)ncnc2Nc3ccc(N)c(F)c3F -MOL_01_001603,FCC1CCCCC1n2cc(C(F)F)c(n2)Nc(n3)cnc(c34)nc(F)cc4 -MOL_01_001604,CNc1cccc(c1)CN(C(F)C2F)c(c23)ccc(c3)-c4ccc(CN)cc4 -MOL_01_001605,FCCC1CCN(CC1)C(=O)c2ccc(nc2O)-c3cc(F)ccn3 -MOL_01_001606,FC(O)N1CCCc(c12)cc(cn2)-c3cncc(c3)CCCN4CCCC4F -MOL_01_001607,Fc(n1)ccc(c12)nc(nc2NC)N3CCC(C3)NC -MOL_01_001608,Cc1cc(ccc1)-c2c(N)c(C)cc(c23)C4=NC(N3)C4(C)C -MOL_01_001609,FCNc1ccc(cn1)-n(c2F)c(F)c(c23)c(F)nnc3-c4ccc(F)cc4 -MOL_01_001610,Fc1cc(ccc1)-c(n2C)nc(c23)c(F)nc(n3)CNC4(F)CCNCN4 -MOL_01_001611,FCCCc1c(=O)n(-c2ccccc2)c(nc1F)-c3ccncc3 -MOL_01_001612,FC(O)N1CCCc(c12)cc(cn2)-c3cncc(c3)NC(F)(O)O -MOL_01_001613,c1ccccc1C2NNc(n3c(c24)ccc(F)c4)ncc3CNCC5CC5 -MOL_01_001614,Nc1nc(F)nc(CF)c1-c2ccc(c(F)n2)N3CCCNC3 -MOL_01_001615,NCc1cc(CF)c(F)cc1Nc2ncc(F)c(n2)Nc3ccccc3C(F)(F)C(F)N -MOL_01_001616,N1NN(C12)c3c(N2)cc4c(c3)c(=O)c(co4)-c5ccccc5 -MOL_01_001617,CCc1c(CN)cc(cc1NC)CCc2ncc(n23)NCC(N3)c4ccccc4 -MOL_01_001618,C1=CCCN=C1NCCCCN(C2N=CNc(c23)cccn3)CC(NC4)=Nc(c45)cccc5 -MOL_01_001619,CC(O)n1ccc(c12)cc(cc2)-c3cncc(c34)cccn4 -MOL_01_001620,Clc1cc(ccc1)NC2(CC2)C(O)NC(N=3)=Nc(c34)ccc5c4=CN=N5 -MOL_01_001621,NCc1c(NC)cc(cc1CC)Nc2nccc(n2)-c3ccc(nc3)N4CCCNCC4 -MOL_01_001622,c1ccccc1-c2cc(F)c(N)c(c2)C3CCNN(C3)c4ccc(cc4)CC5=NCCN=N5 -MOL_01_001623,CCc1ccc(F)cc1N(C(O)C2CN(C)N)c(c23)cccc3 -MOL_01_001624,c1cccnc1CNc2nc(-c3ccccn3)nc(c24)nccc4 -MOL_01_001625,c1ccnc(c12)cc(C)c(n2)-c3cn(cn3)-c4ccc(F)cc4 -MOL_01_001626,n1cncc(c12)n(CNF)cc2C(=O)c3cccc(c34)cnc(F)c4 -MOL_01_001627,Fc1ccc(cc1)-c(c2)cnc(n23)ncc3C(F)(F)c(c4)ccc(c45)cccn5 -MOL_01_001628,Fc1ccc(c(F)c1)CNCCc2c(nc(n23)NCC3)-c4ccccc4 -MOL_01_001629,Fc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)Nc4ncccc4F -MOL_01_001630,Fc(c1)cnc(c12)nc(c(c2O)NC)-c3ccc(F)nc3 -MOL_01_001631,Oc1nc(O)n(CCCl)c(c12)nc(n2)-c3ccccc3 -MOL_01_001632,c1cccc(c12)C3N(N2)N(C3)C(=O)C4N(N4)c5ccccc5 -MOL_01_001633,C\12=C\C(C)Cc3cncc(c3)C(N=C1)=C2c4ccc(N)c(F)c4 -MOL_01_001634,FC(C)Nc1cc(C(F)(F)F)nc(n12)c(cc2)-c3ccccn3 -MOL_01_001635,CNc(c1)ccc(c12)n(C)c3c2N(CCCN3)CNC(F)O -MOL_01_001636,c1cccnc1CN(CC2)CNC23C(O)N(C=C3)c4ccc(cc4)-c5ccccc5 -MOL_01_001637,O=c1nc(O)n(cc1F)C2C#CN(CC2)Cc3ccnc(c34)cccc4 -MOL_01_001638,c12ccc(cc1)N(CN2)c3c(CN)ccc(c34)cc5c(c4)NCc6c5cc7c(c6)NCC7 -MOL_01_001639,n1cnc(c12)n(c(F)cc2O)CC(F)c3cc(F)ccc3F -MOL_01_001640,Nc1ccc(cc1)C2=C(C23)C(Cn4ccc(O3)c4)c5ccc(F)cc5 -MOL_01_001641,C1CCc(c12)c3c(cc2O)cc(cn3)NCC(=O)CCc4ccccc4 -MOL_01_001642,C1CNCCC1c(cc(c2)N(CC)CCN)c(c23)nc(C(CCF)CCF)cc3C4CCNCC4 -MOL_01_001643,FCC(CF)C(=O)N(C)c1c(F)nc(n12)c(ccc2)NCc3ccc(F)cc3F -MOL_01_001644,c1cccc(c12)c=3c(cc2OC)=C4C(C(N3)=O)=CC=N4 -MOL_01_001645,C1OC1C(O)N2CCc(nccc3)c3C24OCNCO4 -MOL_01_001646,Cc1ccc(F)nc1Nc2ccnc(n2)-n3cnc(c34)cccn4 -MOL_01_001647,NCc1ccc(cn1)Nc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_001648,CN(F)c(c1)ccc(c12)NC(O)C2CC(=O)c3cccnc3 -MOL_01_001649,Fc1cnc(cc1)-c(n2)c(C(C)C(N)N)nc(c23)cc(cc3)C(=O)N -MOL_01_001650,FC(F)(F)c1c(OC)cnc(c12)c(ccc2F)C(=O)C(C)CC(=O)F -MOL_01_001651,FC(F)c1ccc(cc1)NC(=O)C2CCCN2c(n3)nc(n34)nc(F)cc4O -MOL_01_001652,FC(N)c(n1)cc(F)c(c12)cc3c(c2)CC(N)(N)c4c3ccc(F)c4 -MOL_01_001653,CNC(O)c1cc(F)c(F)cc1Nc2nc(ncc2F)Nc3cccc(c3)CC(F)(F)C -MOL_01_001654,Cc(c1)ccc(c12)c3c(ccc3)c(c(n2)O)C4CCC=CCN4 -MOL_01_001655,OC1C(C)c2cc(cc(c2N13)CCC3)CC(=O)C4CC4 -MOL_01_001656,CN(C)c1ccc(cc1)-c(n2)cc(CNCF)c(c23)c(F)ncn3 -MOL_01_001657,c1cccc(c12)CN(CCCF)C(F)(F)N2C3CCN(CN3)C4NCC(C(F)F)CN4 -MOL_01_001658,CNc1ccc(cc1F)-n2cnc(c23)c(CN)c(NC)c(c3)NC -MOL_01_001659,CC(F)Nc1cccc(c1)-n(c2)cc(NCF)c(c23)ccc3-c4cncc(c4)C(F)C -MOL_01_001660,Cc1ccc(nc1)NC(O)CNc(c2)cc(F)c(c23)c(O)cc(n3)-c4ccccc4 -MOL_01_001661,c1ccnc(c12)nc(NF)c(C(O)NC)c2NCc3ccc(F)cc3F -MOL_01_001662,CCn(cn1)c(c12)nccc2-c3ccc(N)c(c3)-c4ccc(C(F)(F)CF)cc4NC -MOL_01_001663,c1cc(F)cc(c12)nc(N)n2C(CC)CC(O)NCCN3CCCCC3 -MOL_01_001664,NCc1c(F)c(F)c(c(c1F)NN)C(C2NCCN2)C(O)c3ccccc3 -MOL_01_001665,C1CNCN=C1C(F)c(c(c23)cccc2N)cc(n3)-c4ccc(F)cc4 -MOL_01_001666,Cc1c(F)nc(c12)ccc3c2n(c(O)cc3F)CC(=O)NCCN(C)C -MOL_01_001667,CCc1cccc(c1)C(=O)CC(C=2)=Cc(c23)ccc4c3=CC(=N4)NCC(C)C -MOL_01_001668,Nc1ncc(F)cc1-n(c23)c(nn2)ON4CCN(CC4)CNN3 -MOL_01_001669,OC(F)CCCC(=O)NCC(F)c(c(F)nc(c12)ccc(F)c2)c1-c3ccccc3 -MOL_01_001670,Oc(n1)cc(CN)c(c12)c(cc(c2)C)NC(F)C(=O)NC(CC3(F)F)NC(F)(F)N3 -MOL_01_001671,FCc(c1)c(C=O)nc(c12)C(CCC2)C(O)Oc3ccc(F)cn3 -MOL_01_001672,O=C(F)CN1C(O)N/C(C1O)=C\c2ccc(cc2)CNn3c(F)nnc3-c4ccc(F)cc4 -MOL_01_001673,Fc1cc(F)ccc1-c2ncc(O)n2-c3cnccc3F -MOL_01_001674,CNCCCn1c(nc(c12)cccc2)N(F)Cc3nccc(c3F)NCF -MOL_01_001675,C1CCC(N12)CNc3c(C2O)n(CCl)nc3Cl -MOL_01_001676,Fc1ccc(cn1)-c(n2)cc(F)c(c23)c(F)cc(F)c3CN4CCC(F)NC4 -MOL_01_001677,CCC(O)C1CNc(c12)nc(cc2)C(O)(O)C3CCC(CC3)c4cnccn4 -MOL_01_001678,OCCNC(O)c(c1F)cnc(c12)n(nc2)CCCCF -MOL_01_001679,C1CC=C1C(C2=O)c(c23)cccc3COc4ccccc4NN -MOL_01_001680,CN1CCC(CC1)NC(=O)c2ccn(-c3ccccc3)c2NC(F)(F)c4ccc(F)cc4 -MOL_01_001681,OC(F)C1CCN(CC1)CC2CCC(CC2)C3=CN=c(c34)cnc=5c4C=CN5 -MOL_01_001682,Cc1cn(C)c(c12)nc(cc2C(O)CCF)-c3ccncc3 -MOL_01_001683,Fc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)Nc4nccnc4F -MOL_01_001684,Fc(c1)ccc(c12)Nc3c(cccn3)C(N2)N4CCN(CC4)c5ccccc5 -MOL_01_001685,Oc(n1)nc(O)c(c12)c(c(c(n2)F)CF)-c3ccc(cc3)N4CCNCC4 -MOL_01_001686,ClC(Cl)c(c1)c(O)cc(c12)CC(C(O)O)C(O2)C(F)(F)O -MOL_01_001687,CCc1cccc(c1CC)CC2NC(=O)N(C2=O)C(C(=O)F)c3ccccc3 -MOL_01_001688,FNc1ccc(cc1)C2NC(Nc(n23)nc(n3)F)c4ccc(F)cc4 -MOL_01_001689,FC(F)(F)c(c1)cc(N(F)F)c(c12)nc(nc2F)N3CCC(CN3)CN4CCC(F)CC4 -MOL_01_001690,c1cccc(c12)ccc(n2)N3NCC(N=C3)Cc4nccnc4C5CCNCN5 -MOL_01_001691,CNc1ccc(cc1NC)C(=O)NC(C(F)N2C=CNCC2)Nc3cn(C)c(c34)cccc4 -MOL_01_001692,C1CNc(c12)c(=O)n(CCNF)c(n2)NCC(O)NC3CCCCN3 -MOL_01_001693,FNc(n1)ncc(c12)c3c(N=C(N2)CCl)cccn3 -MOL_01_001694,OCc1cc(F)cc(c1)-c(c2)ccc(c23)nc(O)n3C4NCN4 -MOL_01_001695,Cc1cc(C)cc(c1)NC(=O)Cn(c2O)c(cnc3)c3c(c24)cccc4 -MOL_01_001696,C1CCCC(F)NC1(C(F)(F)F)c2cc(ccc2)NC(=O)c3ccc(CF)cn3 -MOL_01_001697,OC(O)CCNC(O)c(c1F)cnc(c12)nc(c(F)c2)N3CCC(F)C3 -MOL_01_001698,FCCC(C1)CCc(c12)n(c(O)nc2=O)CCc3ccc(F)cc3F -MOL_01_001699,C1CNCCN1C(=O)c2ccc(cc2F)-c3ccnc(CF)c3NCc4ccc(F)nc4 -MOL_01_001700,c1cccc(c12)c(c(F)n2CC(F)O)C(O)c3ccc(CF)cc3 -MOL_01_001701,CCCc1cccc(c1NC(F)(N)C(N)N)C(F)c2cc(CC)cc(n2)CC -MOL_01_001702,c1cc(F)cc(c12)/N=C\c3c(CN2C(F)O)cc(nc3)-c4ccccc4CF -MOL_01_001703,CCc1cncc(c12)nc3c(c2O)cccc3 -MOL_01_001704,c1ccccc1C(CCNF)(c(c23)ccnc3)N(C2F)Cc4cccnc4 -MOL_01_001705,CN(C)c1ccc(cc1)-c(n2)cc(Cl)c(c23)c(F)ncn3 -MOL_01_001706,O=C1CNCN1C2CNN(c(c23)ccnc3)c4ccccc4 -MOL_01_001707,Fc1cc(O)c(=O)nc(c12)C3C=C2CC3 -MOL_01_001708,C1CC1CC(C(F)O)NC(=O)c2ccc(N(C3)CC3(F)F)c(n2)NCC4CC4 -MOL_01_001709,Fc1nccn(c12)cc(n2)-c3ccc(nc3)CCCCN4CCCCC4 -MOL_01_001710,Cc1c(C)nc(c12)ncn(c2O)CCCCCN3CCN(CC3)c4ccc(F)cc4 -MOL_01_001711,O=C(F)c(c(F)n1)cc(c12)c(O)c3c(n2)cnc(n3)C4CCCCC4 -MOL_01_001712,FNc(n1)c(NC)cc2c(C=NCC3)c3c(c4c12)cc(NF)c(c4)OC -MOL_01_001713,Cc1ncc(N(F)F)n1CC2CN(C(=O)C)C(C2)c3ccc(F)cc3 -MOL_01_001714,OC1CCc2cc(cc(c2n13)cc3)C(n4ccnc4)c5ccc(CF)cc5 -MOL_01_001715,n1cnc(F)c(c12)c(cn2N)-c(c3)ccc(c34)N(CN4)C(O)Nc5ccccc5F -MOL_01_001716,c1ccnc(c12)NCC2C(=O)NCC(N(CC3)CNC3(F)F)c4ccc(F)nc4 -MOL_01_001717,c1ccnc(c12)ncc(c2)-c3cc(C(F)F)nc(c3)-c(c4)ccc(c45)nccc5 -MOL_01_001718,NCc1cnc(cc1NC)NC(O)N2CCCc(c23)ccc(n3)CO -MOL_01_001719,Fc1ccc(F)c(c12)C(O)C3=C(C2O)C=C4C3=CC=C4 -MOL_01_001720,Fc(c1)ccc(c12)CC(F)CN2C(=O)c3nccnc3F -MOL_01_001721,O=C(Cl)C(C12)=C3N(C(N1)CC2)CCN3Cc4ccc(F)nc4 -MOL_01_001722,Fc1ccccc1Cn(cn2)c(O)c(c23)cnc3-c4ccc(F)cc4 -MOL_01_001723,NCc1ccc(cc1)-c2ccc(cc2)-c3cn(nn3)C(F)N4C=NC=NC4c5cccnc5 -MOL_01_001724,FC(O)c(n1)cc(F)c(c12)c(F)c(F)n2CCN(CF)CF -MOL_01_001725,c1cccc(c12)NC(N)c3c(cc(N)cc3)CC(O)c4cc(N2)c(cc4)-c5ccccc5 -MOL_01_001726,Cc1cccc(c1)N(C2)CNC(=C23)C=C(C3=O)Cc4ccccn4 -MOL_01_001727,CCc1c(C)nc(F)n(c12)c(cc2)NCC(=O)NC3CCCCC3 -MOL_01_001728,Fc1ccc(cc1F)C(N2F)C(=O)c(c23)cc4c(c3)NCN4 -MOL_01_001729,Fc(c1)ccc(NC2O)c1C23CCCN3 -MOL_01_001730,CC(O)CNc1cncc(c1)-n2ccnc2-c3cccc(c3)C(C)O -MOL_01_001731,FCc1ccc(cc1N)NNNC(F)CCn2cnc(-c3ccccc3)c2-c4ccccc4 -MOL_01_001732,c1cccc(c12)CN(C)C(CF)=NC2(NF)c3ccccn3 -MOL_01_001733,CNC(=O)c(c1F)c(C(O)NC)c(n12)cc(F)cc2 -MOL_01_001734,CCc1ccccc1-c2ccn(c23)ccc(n3)N4CCN(CC4)C(O)CC(C)C -MOL_01_001735,C1CNCCN1c2nc(F)nc(c23)CNN(NC3)Cc4ccccn4 -MOL_01_001736,CNc1ccccc1C2=NN=C(C2=3)N=C(N3)c4cnccn4 -MOL_01_001737,CNc1ccccc1N(F)C(O)c2cc(cn2C)C(F)(F)N3CCCC3 -MOL_01_001738,Fc1ccc(cc1)NC2(CC2)C(O)NC(N=3)=Nc(c34)ccc5c4=CN=N5 -MOL_01_001739,C1CCCNc(n12)nc3c(c2=O)ccc(c3)C(O)Nc4ccc(F)c(F)c4 -MOL_01_001740,CC(N=1)=NC(C12)=C(O)C(=C2)C(c3ccccc3)C4CCC(CN)CC4 -MOL_01_001741,O=C1N=C(O)C(C)=C2C=C(C3=C12)C(CC(C3)C)c4ccc(C)c(C)c4 -MOL_01_001742,CNc1ccc(cc1)NC(F)Cn(c2=O)ncc(c23)c(F)n(c3F)Cc4cccc(F)c4 -MOL_01_001743,CC(Cl)c1cnc(cn1)NCCCc2ncc(C(O)CC(C)(C)C)c(n2)-c3ccc(CN)cc3 -MOL_01_001744,OCCc(cc1)c(O)c(C(=O)C2)c1C23CC=NCC3 -MOL_01_001745,c1ccccc1CCCC2=NC(=O)N(C2=O)CCCNc3ccnc(c34)cc(F)cc4 -MOL_01_001746,c1ccccc1C(=N2)N=C(C2=3)C(=CC(N3)=O)C(O)NCc4ccc(F)cc4 -MOL_01_001747,O=C1NC(=O)C(N1)Cc2ccn(c23)c(NC4CC4)nc(n3)NCc5ccc(cc5)CN6CCCC6 -MOL_01_001748,CC(C)CCCNc1nc(nc(c12)cccc2)-c3ncncc3NC(O)CN4CCCC4 -MOL_01_001749,c1ncccc1-c(nc(c23)CCN3)nc2NCC4(CN4)c5ccncc5 -MOL_01_001750,COc1cnc(cc1CN)-c2cc(ccc2F)C(=O)NCc3cccc(CN)c3OC -MOL_01_001751,n1ccc(c12)nc(O)n(c2O)CCN3CCN(CC3)c4ccccc4F -MOL_01_001752,c1cncc(c12)nc(NF)c(C(O)CF)c2NCc3cc(F)ccc3F -MOL_01_001753,c1cnc(c12)c(O)n(c(n2)F)-c3ccccc3F -MOL_01_001754,FC(O)C1CCCc(c12)cc(cn2)-c3cnccc3-c4ccc(F)cc4 -MOL_01_001755,CCc1cc(NC)cc(c1)-c(n2)nc(F)c(c23)n(C)cc3F -MOL_01_001756,Fc1cc(F)c(F)cc1C(O)N(C(F)CO2)c(c23)ccnc3 -MOL_01_001757,c1cccc(c12)c(C)c3c(c2)c4c(nn3)c5c6c(c4)CNNC6NCN5 -MOL_01_001758,c1ccccc1Cn(c2O)c(O)nc(c23)nc(n3)-c4ccn(c4)Cc5ccccc5 -MOL_01_001759,CCc(c1F)c(C)c(CN)c(n12)nc3c2cccc3 -MOL_01_001760,C1CCCCC1C2=CC(=O)C(=C23)C(NCC(=O)N3)c4ccccc4 -MOL_01_001761,CNC(O)C1OC(F)(F)Oc(c12)nnc(c2)CN -MOL_01_001762,FC(F)c1ccc(cc1)C(=O)c2c(F)n(c(c23)cccc3)NCN4CNNCN4 -MOL_01_001763,n1cccnc1-c2ccc(F)cc2C(O)N3CCNC3Cn4ccc(c4)-c5ccc(F)nc5 -MOL_01_001764,NC1CCN(CC1)C(F)(O)c2cn(C)c(c2)C(=O)NCc3ccc(F)cc3 -MOL_01_001765,FN(N)c1c(NF)cc(c2c13)C(=O)c4c(C2NCN3)cccc4 -MOL_01_001766,CCN(CC)CCNC(O)CC(C1=O)=NC(C)=C(C1=2)C(C)=C(C2)c3ccccc3 -MOL_01_001767,FN(C)c1cc(C(F)(F)F)cc(c12)c(O)nc(n2)N3CCN(CC3)C(=O)C(C)(C)C -MOL_01_001768,NOc(c1)ccc(c12)CCN2C(O)Nc3cc(CC(F)(F)F)cc(c3)-c4cccnc4 -MOL_01_001769,c1cnccc1N2CCC(CC2)C(=O)N3CCC(C3)CNCc(c4)ccc(c45)cccc5 -MOL_01_001770,N1OC(N)NCc(cc2)ncc2C3N(CC(F)F)C=Nc(c4)c3cc(c14)F -MOL_01_001771,CNc1cccc(c1)C2CN(CC=N2)c3cc(cc(O)c3C)-c4ccccc4 -MOL_01_001772,CCNCCNC(O)c(c(=O)n1CC)c(F)c(c12)cccc2 -MOL_01_001773,Fc1ccc(F)n(c12)nc(n2)CCc3nc(nn3F)-c4ccccc4 -MOL_01_001774,CNc1cncnc1-c(nc(c23)nc(F)cn3)n2CCN(CF)CF -MOL_01_001775,Oc1n(C)c(O)nc(c12)c(nc2)-c3ccc(F)cc3 -MOL_01_001776,C1CNC(F)C1(N)CCc(c2)ccc(c23)NCCc4n3cc(c4)C(F)F -MOL_01_001777,CC(O)NC1CCN(C1)c2nc(F)cc(c23)CCCC3 -MOL_01_001778,CN(C)CCCCc1ccc(cc1)Nc2nccc(n2)-c3ccn(c34)cc(cc4)N5CCNCC5 -MOL_01_001779,CCC(=O)C#CCC(=O)Cc1cccc(O)c1NC(C)C -MOL_01_001780,Cc1cc(F)ccc1CC2CC(C2)c3ncc(C)n3-c4ccc(CN)nc4 -MOL_01_001781,Fc1ccccc1-c2ncc(n23)c4c(cccc4)nc3N5CCNCC5 -MOL_01_001782,Fc1cc(F)cc(c12)nc(c(F)c2O)-c3ccc(cc3)N4CCC(C(F)(F)F)NC4 -MOL_01_001783,c1ccncc1CC(N=C2C)=C(C2=3)N=C(C3)C(O)NCc4cccnc4 -MOL_01_001784,CNc1ccc(cc1)-n2cc(NC)c(c23)c(ncn3)CNCc4ccc(F)cc4 -MOL_01_001785,CCc(c1)ccc(c12)nc(F)cc2N3CC(NC3=O)CNC(O)N4CNC4 -MOL_01_001786,CCC(CN)c1nccc(c12)c3c(n2)ncn(c3)CN -MOL_01_001787,N#CCc1ccccc1C(=O)Nn(c2=O)c(N3CCC3)nc(c24)cccc4 -MOL_01_001788,Fc1ccc(cc1)C2(CC(=O)C(O2)O)Cn3ccc(=O)nc3O -MOL_01_001789,c1ccccc1C(C)CNC(O)Cn(c2O)cc(CF)n(c23)c4c(c3)ccc4 -MOL_01_001790,CNc1ncccc1-c2ccnc(c23)cc(F)c(c3F)-c4ccc(cc4)CN5CCNCC5 -MOL_01_001791,CCc(n1)ccc(c12)nccc2C(F)CN3CC=C(CC3)NCc(c4)ccc(c45)NCC(=O)N5 -MOL_01_001792,CNc1ccc(cn1)CNc2ccc(cc2)C(C3CN3)n4cnc(c45)cccc5 -MOL_01_001793,CNc1nc(F)cc(C(F)O)c1C(O)c2c(F)c(F)c(F)c(F)c2F -MOL_01_001794,C1=CNCCC1C=2CCNC(C23)=C(C(F)O)C(=C3)c4ccc(cc4)Cc5ccccc5 -MOL_01_001795,c1ccccc1N(NNC2O)C23NCN(CN3)CNCN4c(cccc5)c5Oc(c46)ccc(c6)CF -MOL_01_001796,CC(F)(C)n1cncc1C(N(C)C)c2ccc(cc2)Nc3ccnc(c34)cc(F)cc4 -MOL_01_001797,C1CNCCN1c2nc(NC)nc(n2)-n3ccc(c3C(=O)NCF)-c4ccccc4 -MOL_01_001798,C1CCCC1CCC(O)N2CCCC2Cn3cnc(c34)c(F)nc(n4)F -MOL_01_001799,CCCc1ccc(cc1)CNC(O)C(C2=O)=CN=C(C2=3)N=C(N3)N(CF)CF -MOL_01_001800,n1cnc(F)c(c12)C(O)N(CCN2)c3ccc(c(F)c3)-c4c(F)cccc4F -MOL_01_001801,FCN(CC1)Cc(c12)c3c(cc2C(=O)Cl)nc(F)c(n3)F -MOL_01_001802,OC(O)c(c1)cnc(c12)c3c2cccc3 -MOL_01_001803,FCNNC(O)c1c(-c2ccc(C(F)(F)F)cc2)nn(c1F)-c3ccccc3 -MOL_01_001804,c1cncn1CNCNC(O)c2cccc(c2)C(F)(F)N(C(F)C3)c(c34)cccc4 -MOL_01_001805,c1cncn1CC(F)Nc2c(CCNN3)c3nc(c24)nccc4 -MOL_01_001806,n1cccc(c12)cc(c(F)c2)C(O)NCN(F)c(n3F)cc(c34)c(F)c(F)c(F)c4 -MOL_01_001807,FCC(=O)C(C)Nc(c1)ccc(c12)n(C)c(F)c2C(F)NCF -MOL_01_001808,CNC(F)c1ccnc(c1)Nc2c(CNC3)c3nc(c24)cccc4 -MOL_01_001809,ClCNC(=O)c(n1)cc(n12)c3c(nc2F)nc(F)cc3 -MOL_01_001810,NCc(c1F)c(C)c(C)c(c12)C(O)C(C2=O)CCN3CCNCC3 -MOL_01_001811,O=C(F)N1CCc(c12)cc(cc2)NC(O)C3(F)NCN3Cc4ccccc4F -MOL_01_001812,c1cccc(c12)cc(NC)c(n2)CNc3ccc(cc3)-c4c(ccn4C)-c5ccncc5 -MOL_01_001813,NNc(n1)c(NC)cc(c12)C(CC2)NC(O)Nc3cccc(F)c3 -MOL_01_001814,Fc1ncccc1CN2CCC(CN)C(C2)n3cc(c(C(=O)F)c3)Nc4ccc(F)cc4 -MOL_01_001815,CNNC(F)Nc1ccc(cc1)-c2cc(-c3ccncc3)c(NF)c(n2)N4CCNCC4 -MOL_01_001816,CCc(c12)c(=O)c3cccc(c3)c(c1)C=C2C(=O)c4ccncc4C -MOL_01_001817,FC1C(=O)CN(C12)CNc3c2c4c(cc3)ccc(c4)O -MOL_01_001818,NCc1cc(ccc1)C(C(C=2F)CCO)=c(c23)c(O)c4c(c3)cccc4 -MOL_01_001819,Fc(n1)ncc(c12)nc3c(c2C(=O)F)CCC3 -MOL_01_001820,ONCCCNC(=O)c1ccc(nc1)-c2ncc(F)cc2O -MOL_01_001821,C1CNCC1N2C(NCC2=O)c3cccnc3-c4ccc(C(F)(F)F)cc4 -MOL_01_001822,CNc(c1)c(CC)cc(c12)nccc2Nc3ccc(CF)nc3C(=O)F -MOL_01_001823,C1NCN=C1C(=C2N)c(c23)cc(cc3)-c4cccc(c4)NC5CN=CNC5 -MOL_01_001824,Cc1ccc(F)c(c1)-n2ncnc2NCC(=O)c(c3)ccc(c34)CCC(=O)N4 -MOL_01_001825,CC1=NC(F)=C(C1=2)C(=O)N=C(N2)c3ccccc3CC(Cl)Cl -MOL_01_001826,c1ccccc1-c(c(CO)c2O)c(CF)c(n23)nc4c3cccc4 -MOL_01_001827,c1ccccc1C(CN2)=c(c3=C(C2=4)C(N)=CC4)cc(cc3)C(=O)CNc5ccccc5 -MOL_01_001828,N1CNc(c12)cc3c(c2)c(=O)n(c(n3)O)CCCC(O)NCNc4ccc(F)cc4 -MOL_01_001829,c12c3c4c(C1O)c5c(cccc5)c(NCF)c4on(CCF)c(c2)cc3 -MOL_01_001830,CN1CCC(C1)Cc2ncnc(c23)ccc(c3)-c4ccc(NF)c(CF)c4 -MOL_01_001831,c1cccnc1C(O)N(C2)CC2(CCN)n3cc(c(C(=O)F)c3)Nc4ccccc4 -MOL_01_001832,Fc(c1)ccc(c12)OC(O)N(C)C2(C3CC3)CCc4ncccn4 -MOL_01_001833,CC1CN(CC(C)N1)Cc2ccn(c2)-c3cccnc3N4CCC(CC4)Oc5ccccc5F -MOL_01_001834,c1c(F)ccc2c1n(c(=O)c(n23)ncc3)CCC(O)CCc4cncc(F)c4 -MOL_01_001835,Fc1ccc(cc1)CCNC(=O)c(c2O)cnc(n23)nc(n3)N4CCCCC4 -MOL_01_001836,CNc1ccc(c(c1)CN)CC(F)NCC(C=2)=C(C(=O)C(C23)=CC(=C3)CN)Nc4ccc(CN)cc4 -MOL_01_001837,Fc1cccc(F)c1C2NC(=O)/C(C(C2)O)=C(\F)Nc3ccccc3CF -MOL_01_001838,NC(O)(O)c1ccc(nc1)-n2cc(C(F)(F)F)cc2C3CCCNC3 -MOL_01_001839,FCCNc1nc(C)cc(c1)NCCCc2ccnc(c23)cc(F)cc3 -MOL_01_001840,Fc1ccncc1-c2nc(F)c(n23)c(F)nc4c3cc(C(F)(F)F)cc4 -MOL_01_001841,Fc1ccc(F)nc1NC(O)CN(N2F)C(O)Nc(c23)nccn3 -MOL_01_001842,Cc1nccn1-c2nc(NC(F)CCC(F)F)nc(F)c2C(F)N -MOL_01_001843,Fc1ccc(cc1)C(n2ccnc2)C(F)(c3ncc(F)cn3)c4ccc(F)cc4 -MOL_01_001844,NCc1ccc(cc1)-c2n(CCNC)c(nc2)NCN(F)Nc3ccc(CN)cc3NC -MOL_01_001845,CNc1cc(CC)c(cc1CC)-c2cc(-c3ccncc3)nc(n2)N4CCNCC4 -MOL_01_001846,FCc1ccc(cn1)C(F)(F)N2CNCc(c23)cc(cc3)-c4cccnc4 -MOL_01_001847,Cc1cccnc1-c2cc(ncc2F)N(CC3)CCC34CN(C)C(=O)N4 -MOL_01_001848,CNCc1cc(F)cc(c1)C(CCN)c(c2)ccc(c23)ncc(n3)-c4ccn(C)c4 -MOL_01_001849,Fc1ccc(cc1)C(=O)NC(C(F)O)Cc2cc(F)nc(c23)cccc3 -MOL_01_001850,CCC(O1)NCCc(c2)nc(c2n13)ccc3-c4ccncc4 -MOL_01_001851,c1ccccc1C(=O)C(C2O)C(N23)=c4c(=C=C3)cccc4 -MOL_01_001852,CC(=O)N1CCN(CC1)c2ccc(cn2)NCC(CN3)NC3(C)c4ccc(F)cc4F -MOL_01_001853,CCc(c1)ccc(c12)c3c(C2=O)c4c(cc(CN)c(c4)CC)c(O)c3CCCN -MOL_01_001854,Fc1ccc(cc1)C(N=2)=NC(C23)=C(C=N3)c4ccccn4 -MOL_01_001855,OOC(=O)CCNn1c(c2)C(C3n12)=C=C=N3 -MOL_01_001856,FC(F)c1ccc(cc1)NC(=O)c2ccc(cn2)C(F)N3CCc(c34)cccc4 -MOL_01_001857,OCc1ccc(cc1)-c(c2)cc(F)c(n23)ncc3CNCCc4ccccc4 -MOL_01_001858,CN(C)CC(=O)Nc(c1F)cnc(c12)nc(nc2O)NC(F)c3ccccc3 -MOL_01_001859,CNc1cc(CF)ccc1C2CCNN2c(n3)cnc(c34)cccc4 -MOL_01_001860,NCCNCNc(c1O)c(c2c(C3=O)cccc2)c3c(c14)ccc(c4)NC(F)N -MOL_01_001861,ClCCn(c1O)c(=O)nc(c12)nc(n2C)C3CCCC3 -MOL_01_001862,CCc1cccc(c1)NC(O)CC(C2=O)=CC=C(C2=3)c4c(C3)cccc4 -MOL_01_001863,c1ccccc1N(CN2)C(=O)c(c23)cc4c(c3)C(O)N5C(N4)NCC5 -MOL_01_001864,Fc1ncncc1-c(n2)cc(F)c(c23)cc(nn3)NC(F)F -MOL_01_001865,FNCCCNCNn1cnc(c1)NC(F)(Nn2cncn2)c3ccc(F)cc3F -MOL_01_001866,CCC(O)c(nc1N)cc(c12)c3c(n2CCC)cccc3 -MOL_01_001867,Fc1ccccc1-c(nc(c23)cncc3)c(n2)-c4ccccn4 -MOL_01_001868,FCC(O)c1ccccc1NC(=O)CN(C(F)CN2)c(c23)nc(F)cc3 -MOL_01_001869,c1cccc(c1=2)=C3C(C2)=CC=C(C3=O)C(O)Nc4cccc(C)c4 -MOL_01_001870,NCc(c1)c(NC)cc(c12)c(O)c(cc2)-c(c3NN)cc(CN)c(c34)NCC4 -MOL_01_001871,NC(=O)NCC(F)c(c1)ccc(n12)ncc2C(F)(F)c(c3)ccc(c34)nccc4 -MOL_01_001872,NCc(c1)ccc(c12)c(ccn2)OCc3ccc(n34)ccc(c4)-c5cnccn5 -MOL_01_001873,c1ncc(n12)cc(C(=O)F)c(F)c2C(O)c3ccccn3 -MOL_01_001874,FC(O)c1nc(NCF)nc(c12)CCN(C2)C(F)CCc3ccc(C(F)(F)F)nc3 -MOL_01_001875,C1NC(O)N(C)c(c12)cc(cc2)CC3CCN(CC3)NCNc4ccnc(c45)nc(F)cc5 -MOL_01_001876,OCCCC(O)c(c1F)cnc(c12)n(nc2)CCC(F)F -MOL_01_001877,CC(C)c(n1)nc(n12)ccnc2-c3cccc(c3)C(N)(N)N -MOL_01_001878,C1NCCNN1Cc2cn(c(c23)ncc(c3)NF)Cc4ccccc4 -MOL_01_001879,CCOc1ncc(cn1)-n(c2C)c(C)c(c23)c(cnc3C)Nc4ccc(OC)cc4 -MOL_01_001880,FCNC(=O)c(n1)cn(c12)C=C(c3c(O2)ccc(F)c3)c4ccc(F)cc4 -MOL_01_001881,Oc1nc(F)nc(c12)c(CCN(CCF)CCF)c3c(n2)cc(F)c(F)c3 -MOL_01_001882,CC(O)NCC(=O)N(CC1)CNC12CCN(c3c(C2)cccc3)Cc4ccccc4F -MOL_01_001883,c1ccccc1-n2c(cnc2F)-c3ccc(cc3)NC(F)NC4CCCNC4 -MOL_01_001884,NCCCCc(c(F)c1)cc(c12)OCCCCCCc3c(CF)ncc(n3)NC(=O)C2 -MOL_01_001885,Cc(c1)cnn(c12)nc(n2)-c3ccc(cn3)-c4ccc(cc4)-c5ccc(N(C)C)cc5 -MOL_01_001886,c1cccc(c12)nc(C)c(F)c2-c3ccc(cc3)C(=O)N4C=NC(NC4)CCC(F)NCF -MOL_01_001887,CNc1ccc(cc1)-c2c(c(F)nn2F)C(=O)NC(F)NCc3cc(F)cc(F)c3 -MOL_01_001888,OC(F)CNc(cnc1F)c(CN2)c1NC23CCCNC3 -MOL_01_001889,c1cccc(c12)c3n(nc2F)c(nn3)-c4ccccn4 -MOL_01_001890,c1ccccc1CC(C=2O)CC(=O)C(C23)=CC=C3NC4=NC=N4 -MOL_01_001891,Oc1nc(F)nc(c12)CN(CC2)C(O)c3ccccc3N4CCCC4 -MOL_01_001892,c1ccccc1C2(NCC(=O)NC2F)C3NCN(CN3)Cc4ncncc4F -MOL_01_001893,Cn1ccc(c12)n(c(c2)C(O)NCF)Cc3cccnc3F -MOL_01_001894,C1NC1Cn2c(F)c(C(=O)N)c(n2)-c(c3)ccc(c34)cncc4 -MOL_01_001895,CN1NC(CC2)CCC12C(c3ccccc3)NC(O)c4c(F)cncc4F -MOL_01_001896,Nc(n1)nc(N)n(c12)cc(c2-c3ccccn3)-c4ccnnc4 -MOL_01_001897,CCc(c(O)c1)cc(c12)CCC(C2)C(O)CC -MOL_01_001898,CCCCNC(O)CN1C(=O)C(CC)Cc(c12)ccc(F)c2 -MOL_01_001899,c1ccnc(c12)CC(N(C)CNF)CC2c3ccccn3 -MOL_01_001900,c1cnc(n12)c3c(cc2)ncc(c3O)-c4ccccc4 -MOL_01_001901,FC(O)n(c1F)c(C)nc(c12)nc3c2cccc3 -MOL_01_001902,CCCCc1ncc(C(=O)NC)n1Cc2ccc(cc2)-c3ccccc3-n4ccnc4 -MOL_01_001903,CC(C)Nc1cccc(c1)CNC(C2)CCc(n23)nc(c3)N(F)C -MOL_01_001904,CCc1c(C)nc(F)c(N(C)C)c1C(O)c2ccc(CN)cc2 -MOL_01_001905,c1cccc(c12)cc(C(=O)F)n2-c3cccc(n3)C(O)NCC(F)O -MOL_01_001906,c1cc(F)cc(c12)C(O)C(O)N2CCCCc3ccccc3F -MOL_01_001907,N1CNc(c12)cc3c(c2)cc(CF)c(C(F)NC)c3-c4cc(CN)c(NN)c(c4)OC -MOL_01_001908,Fc1ccc(cc1)CN(C)CC(F)(Cn2cncn2)c3ccc(F)nc3F -MOL_01_001909,CCCCC(=O)Nc(n1)ccc(c12)c(c(c(n2)F)CNCN)CNCCC -MOL_01_001910,CCc1cc(cc(N)c1C)/C=C(C2=O)\C=C(C2=3)C=C(C3)c4ccc(F)cn4 -MOL_01_001911,Fc1ccc(cn1)-c2nccnc2NC3CN(C3)c(n4)ccc(c45)cccc5 -MOL_01_001912,O=C(F)NCNc1c(-c2ccccn2)n(F)c(c13)cccc3 -MOL_01_001913,OC(F)C1CCN(CC1)c2ncc(-c3cnccn3)c(n2)C4CCCN4 -MOL_01_001914,Cc1cc(Cl)nc(c12)nn(c2O)CC(O)Nc3cccc(F)c3 -MOL_01_001915,C1NCOC1NC(O)c2nc(nc(c23)cccc3)Nc4cc(F)c(F)cn4 -MOL_01_001916,CCC(F)c1cccc(c1)NC(=O)c2cc(ccc2F)-n3cnc(c3)CNc4ccncn4 -MOL_01_001917,FCc(n1)cn(c12)c(F)cc(n2)N3CCN(CC3)c4cc(F)nc(c45)cccc5 -MOL_01_001918,Fc(n1)ccc(c12)c(ccn2)NCCc3ccccn3 -MOL_01_001919,OC(F)(F)c1ccc(cc1)-n(c(F)n2)c(=O)c(c23)cccc3F -MOL_01_001920,c1cnccc1-c2nnc(n2CCF)NNC(F)N3CCc(c34)cccc4 -MOL_01_001921,n1cnc(F)c(c12)nc(n2CCCC)Cc3cc(CCl)ccc3F -MOL_01_001922,c1cccc(c12)C(CN)c3c2c(c(N)c4c3cccc4)Nc5ccccc5 -MOL_01_001923,Fc1ccc(cc1)Nc(n2)cc(n(c23)ncc3)Cc4c(F)cc(F)cc4F -MOL_01_001924,n1c(F)cnc(c12)nc(-c(cc3)ccc3F)c(n2)-c4ccc(F)cn4 -MOL_01_001925,Fc1nc(F)ccc1CCc2c(ccnc2CC)-c3ccc(c(F)c3)C(O)N4C=CN(C)CC4 -MOL_01_001926,FC(F)(F)C(F)Cc(nc1O)cn(c12)c(nc2)-c3ccccc3F -MOL_01_001927,Nc(n1)ccc(c12)nc(F)n2C3CCCCN3 -MOL_01_001928,CCc(c1)cc(F)c(c12)OC(CC(=O)C2)c3ccc(O)cc3 -MOL_01_001929,Cn1nnc(c12)cc(cc2)CNCC(O)c(c3F)cnc(c34)c(C(F)(F)F)ccc4 -MOL_01_001930,NCc1ccc(cc1)C(O)(O)N2C(=O)N(CC2O)c3cccnc3 -MOL_01_001931,CCc1cc(NC)cc(c1)C(F)Nc(c2)ccc(c23)nc(cc3F)N4C=CN(CF)CC4 -MOL_01_001932,Fc1nccc(F)c1C(F)c2c(F)c(O)nc(n2)NCCNc3ccc(NF)cc3 -MOL_01_001933,NCCCC(CC1)=CCC1c(c(c23)cc(C)nc2N)c(F)c(c3)-c4ccc(CN)cc4 -MOL_01_001934,Cn1cnc(c12)cc(cc2)C(O)N3CCC(NC3)c4nncn4CF -MOL_01_001935,CCc1cc(cc(c1F)CN)-c2cnc(n2C)OCc3cccnc3 -MOL_01_001936,Fc1c(F)c(C)nc(n12)nc(n2)NC(O)c3ccc(C(F)(F)C)cc3 -MOL_01_001937,NN1CCN(CC1F)c2ccc(nc2)Nc3c(CF)cnc(c34)ccc(F)c4 -MOL_01_001938,C1=CCCC=C1C(O)N(C=N2)CCC23c4c(CNC3)cccc4 -MOL_01_001939,C1NC1C(CF)n2cc(F)nc(c2=O)Nc3c(F)cc(C(F)(F)F)cc3F -MOL_01_001940,CNc1cccc(c12)c(=O)c(C(O)NC(F)(F)F)cn2CCCF -MOL_01_001941,FNc1ccc(cc1)N(F)c2c(F)c(nc(c23)cccc3)-c4cccnc4 -MOL_01_001942,Fc1ncc(cn1)-c2ccc(cn2)-c3ccccc3C(F)(F)N(CC4(F)F)CC4 -MOL_01_001943,FNCC(O)c1cccc(c1)Nc2c(NCC3)c3nc(c24)cccc4 -MOL_01_001944,c1cccnc1C(CC(F)C)NC(=O)c2ccc(N(C3)CC3(F)F)c(n2)CCC4CC4 -MOL_01_001945,c1cccn1C(F)CC(=O)N2CCC(CC2)c3ncc(n34)CCC4 -MOL_01_001946,FCCCc1c(C(O)NCF)c(F)nc(c12)ccc(F)c2 -MOL_01_001947,CNc1cc(c(NF)cc1F)NC2CC(=O)C(O)c(c23)cncc3 -MOL_01_001948,OCNc1c(F)nc(nc1C)N2C(O)CNC2c3c(F)cccc3F -MOL_01_001949,C1CCCCC1C(N=C2C)=C(C2=3)N=C(C3)C(F)NCCN4C(=O)N(C)CC4F -MOL_01_001950,CNc1ccc(CN)c(c12)CC3C(C2)CCCN3CCN -MOL_01_001951,c1ccc(C)c(c12)nc3c(c2O)cc(c(N)c3CCCCNC)C(O)CCc4ccc(F)nc4 -MOL_01_001952,NCC(O)CCC1NCc(c12)c(cnc2)-c3ccc(C(F)(F)F)nc3 -MOL_01_001953,Fc1cc(ccc1)CNC(=O)Cc2ncc(nn2)-c3ccc(nc3)C4=CCCCC4 -MOL_01_001954,OC(F)(O)Nc(c1)ccc(c12)c(cn2C(F)F)-c3cnc(CF)cn3 -MOL_01_001955,CNc1cccc(c1)N2CCN(CC2)C(=O)CC3=CC=C4C(=O)C=c(c5=C34)cccc5 -MOL_01_001956,C1CCc(c12)ccc(c2)CNC(=O)CNc3ncc(n34)nc(F)cc4CCF -MOL_01_001957,FCc1ccc(cn1)Nc(c2)ccc(c23)nc(cc3)C(F)N4NCc(c45)cccc5 -MOL_01_001958,c1cc(F)cc(c12)nccc2NC(C(=O)N)NCCCNc3cc(F)cc(c34)nccc4 -MOL_01_001959,CC1CCN(CC1)c(n2)nc(n23)ncc(c3O)C(O)NCCc4ccccc4 -MOL_01_001960,c1ccccc1C(CC(C)N2)n(c23)cc(n3)NC(=O)c4ccccc4 -MOL_01_001961,c1ccnc(c12)n(c(F)c2NC(F)O)Cc3ccccn3 -MOL_01_001962,Fc1ccc(cc1)C(O)Cn2c(F)nc(c2N(F)O)N3CCCC3 -MOL_01_001963,Fc1cncc(c12)c(cc(n2)NC)C(=O)CC(C(F)O)C3(F)CC3 -MOL_01_001964,Fc1ccnc(c1)N(C(O)c(c23)cccc3)C2Nc4ccccc4F -MOL_01_001965,FCC1=NCC(=CC1)C(F)Nc(c2C)c(F)cc(c3)c2cc(=CC4)c3=CC45CCNNC5 -MOL_01_001966,Fc1cnc(nc1)-c(nc2C(=O)F)c(n23)cc(cc3)N4CCNCC4 -MOL_01_001967,OCCc(c1)ccc(c12)C(=N)C3=c4c(=C(C)C3=C2)cccc4 -MOL_01_001968,C1CC1C(O)Nc(c2)ncc(c23)cc(nc3C)-c4cccnc4F -MOL_01_001969,CC(F)(C1)Cc(c12)cc(OC(Cl)O)c3c2nccc3 -MOL_01_001970,Fc1cccnc1-c2nc(F)ncc2-c3ccc(cc3)NCNN4CCNC4 -MOL_01_001971,ClCc1ccc(cc1)-c(c2)cnc(c23)n4c(cnn4)CNC3 -MOL_01_001972,Fc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)NCC4CCNCC4 -MOL_01_001973,CCc1ccc(c(F)n1)-c2cc(F)c(nn2)C(O)NC(F)(F)N -MOL_01_001974,CCc1cc(NC)c(c(c1)NC)C2C(c3ccccc3)=C(C2N)CNCc4ccccc4 -MOL_01_001975,OC(N1)C(N)(N)Cc(c12)cc3c(c2)ccc(n3)O -MOL_01_001976,CNc1cc(ncn1)-n2cc(c(c2)C(F)O)-c3cc(F)ccc3C -MOL_01_001977,CC(O)Nc1cccc(c1)Cc(n2)nc(n(c23)ccc3CN)Nc4cccc(c4)C(F)O -MOL_01_001978,Fc1ccccc1-c2ncc(n2CCC)NCC(O)Nc(c3)ccc(c34)NCC4 -MOL_01_001979,Fc1ccc(F)c(c1)NN2CNC(CN2)c(cc(c34)cccc4)c(c3)Nc5ccccn5 -MOL_01_001980,Fc1cc(F)cc(c12)C(O)c3c(C2O)c(F)c(c(F)c3)-c4ccc(NF)cn4 -MOL_01_001981,CCc1nccnc1Nc2ccc(F)c(c2)C3(C(F)F)CNCC(F)C3 -MOL_01_001982,FCc1ncc(c(n1)NCC(F)(F)F)CNCN(C2)CCc(c23)cccc3 -MOL_01_001983,FCCCCCNc(c1)c(NN)cc(c12)ncnc2Nc3cc(F)c(F)cn3 -MOL_01_001984,NCNc1ccc(F)c(c1)-c2cc(cc(c23)nccn3)Cc4ccncn4 -MOL_01_001985,C1CCCCN1NC(=O)c2cn(-c3ccccc3)c(c2CF)-n4cccc4 -MOL_01_001986,Fc1ccccc1-c(c2)ccc(n23)cnc3Nc4cnccc4N5CCCC(F)C5 -MOL_01_001987,n1cccc(c12)c(cn2CC=O)C(=O)CCc3ccc(F)cc3 -MOL_01_001988,O=C(F)c(n1)cn(c12)c3c(cc(F)nc3)c(c2)-c4ccccc4 -MOL_01_001989,n1ccc(F)c(c12)nc(cc2C(F)O)-c3ccc(cc3)Nc4ccccc4 -MOL_01_001990,c1ccccc1C(=O)c(c2)ccc(c23)n(c(n3)O)CC(O)Nc4ccccn4 -MOL_01_001991,CCOC(O)c1ccc(cc1)NC(=C(C2=3)C=CN3)C(=N2)c4ccc(F)cc4 -MOL_01_001992,FCc1cc(CF)cc(c1)-c2ncc(n23)NNC(N3)c4ccccc4CF -MOL_01_001993,CCCCNC(=O)c(c1O)cnc(n12)cc(n2)N3CCCCCC3 -MOL_01_001994,NNc(c1)c(NC)cc(c12)c(-c3ccnc(F)c3)nc(c2)-c4cc(CN)cc(c4)NN -MOL_01_001995,CCN(CF)CCC(=O)Nc1ccc(F)c(c12)C(=O)c3c(C2O)c(F)ccc3F -MOL_01_001996,Fc1ccc(nc1)N(N2)C=Nc(c23)ncnc3NCc4cccc(F)c4F -MOL_01_001997,n1cc(F)nc(c12)nc(nc2NC(F)CF)NCc3cccc(F)c3F -MOL_01_001998,O=C1CCCc(c12)nc(F)c(c2)C(O)Nc3ccc(C(F)O)cc3 -MOL_01_001999,c1cnccc1C(O)Cn2c(cn(c23)ccn3)-c4ccccc4 -MOL_01_002000,O=C(F)NC(F)c1ccc(cc1)CC2CCN(C2)c3ccnc(n3)N4C=CC4 -MOL_01_002001,NC1NCNN1c2ccc(cc2)C(C3=O)=CC=C(C3=4)C=CC4c5ccccc5 -MOL_01_002002,FCCCc1ccc(cn1)Nc2ncc(F)c(n2)Nc(c3)ccc(c34)CCCN4 -MOL_01_002003,FC(F)N1CCNC(C1)CNC(=O)c2ccccc2N3C(=O)CNC3O -MOL_01_002004,FC1(F)CC(N(C)C)CCN(C1)c2c(ccn2C)NC(O)c3ccccc3 -MOL_01_002005,CNC(F)CCCCCCNC(F)c1cnc(nc1)N(C2)CCn(c23)c(cn3)C(F)(F)F -MOL_01_002006,NCNCCCC(=O)C(C)c(cc(c12)nccc2)c(c1)N3CCCC3 -MOL_01_002007,Cc(n1)cc(c12)n(C)c3c2ccn(c3O)Cc4cccc(F)c4 -MOL_01_002008,CCN(CC)CCN1Cc2c(cccc3)c3nc(c2c14)c(cc4)NC(C)O -MOL_01_002009,Fc(n1)nc(F)c(c12)nc3c(n2)c4c(n3CC(F)Cl)cccc4 -MOL_01_002010,FCc1ccc(CF)c(c1)C(N2)CNc(n23)nnc3-c4ccncc4 -MOL_01_002011,CC(N)c1ccc(cn1)CC2CCC(CC2)N(C3=O)Cc(c34)cccc4C(F)C -MOL_01_002012,CCC(=O)c1cc(F)c(F)cc1Nc2nc(ncc2)Nc3cccc(c3)CC(C)(O)O -MOL_01_002013,Cc1cc(F)c(c(F)c1)-n(c2=O)c(=O)n(n23)CC(C)C(F)C3 -MOL_01_002014,NCc1c(Cl)c(C(O)NF)nn(c1=O)-c2ccc(F)cc2 -MOL_01_002015,CNCNC(C1F)Nc(c12)cccc2C(=O)Cc3cc(CN)ccc3NN -MOL_01_002016,NCc1c(NC)c(NC)cc(c12)NC(O)NC2c3cc(F)ccc3F -MOL_01_002017,c1ccccc1C(C2=O)=CC(C(F)NCF)=C(C2=3)C=CC3N -MOL_01_002018,c1cccc(c12)c(=O)n(CNCF)c(n2)/C=C/c(c3)ccc(c34)CCN4 -MOL_01_002019,Fc1ncnc(c12)cc(cc2)NC3CCCNC3 -MOL_01_002020,CCC(=O)c1cc(cc(c1)C(O)CC)CC(O)C2=C(F)N=C(C2=3)C=CC3 -MOL_01_002021,OC(F)CN1C(O)N/C(C1=O)=C\c(c(F)n2)cc(c23)cccc3CF -MOL_01_002022,Fc1ccc(cc1)C2NC(CC(=C23)N=NC3=N)CCc4ccncc4 -MOL_01_002023,CNc1ccc(cc1)C(C=2)=CC(C23)=CC=C3CNC(F)(O)c(c4)ccc(c45)NCN=C5 -MOL_01_002024,O=c1n(C)cnc(n12)nc(c2)-c3ccc(CN)cc3 -MOL_01_002025,CNCCN(C1)CC1(C(F)F)N(C)Cc(c(c2)NC)cc(c23)c(ccn3)Cc4cccc(F)c4F -MOL_01_002026,Nc1cccc(NS)c1C2CNNC(O)N2c3cccc(c3)-c4ccccc4 -MOL_01_002027,c1cccc(C2S)c1C23CN(N3)n4[nH][nH]4 -MOL_01_002028,Cn1ccc(c12)cc(cc2)-c3ccc(c(O)c3)C4(C)CCCNC4O -MOL_01_002029,CN(C)CCNC(O)c(c1)ccc(c12)Nc3c(C(N2)O)cccc3 -MOL_01_002030,OC(F)c1c(F)nc(n1CF)-c2ccc(c(CF)c2)NCCF -MOL_01_002031,c1ncnc(c12)CC(O)N2Cc3cccc(c3)CN4C=CN(CC4)c5cccc(c56)cccc6 -MOL_01_002032,Cc1cc(O)cc(c1O)CCC(F)C(F)O -MOL_01_002033,c1ccccc1C(=O)Nc(c2O)cnc(c23)c(ncn3)Nc4ccccc4 -MOL_01_002034,NC(F)c(c1)ccc(c12)CCC(=C2)Nc3nccc(n3)-c4cncc(c4)CC -MOL_01_002035,c1ccccc1-c(n(C(C)N)c2O)cc(c23)ccc3-c4ccccc4 -MOL_01_002036,Cc1cc(F)c(C(F)F)cc1-c2cc(c(CN)c(n2)O)-c3ccc(CN)cc3 -MOL_01_002037,c1cc(F)cc(c12)nc3c(c2O)CC(F)(Cl)OC3 -MOL_01_002038,O=C1CCCN1c(c2)cc(F)c(n23)ncc3CNCCc4ccccn4 -MOL_01_002039,FCNC(=O)C1CC(F)CN1C(=O)Cc2cc(F)ccc2F -MOL_01_002040,O1CCCN(C12)C(O)c3c(N2C)ccc(c3)NCc4ccccc4 -MOL_01_002041,FC(N1)=C(O)N(C)c(c12)cc(N3CCCNC3)c(c2)NC(F)c(c4)ccc(c45)N=CCC5 -MOL_01_002042,O=c([nH]1)cc(F)n(c12)ncc2C(=O)Nc3ccccc3F -MOL_01_002043,N1CCNC1C(O)N(C2CNCN2)Cc(c(F)n3)cc(c34)cc(F)nc4F -MOL_01_002044,FCCC(=O)c(c1F)c(F)cc(c12)cnc(c2O)-c3ccccc3F -MOL_01_002045,CCC(=O)Nc1cccc(c1)Nc2nc(ncc2F)NNC(C)c3cnc(F)cc3F -MOL_01_002046,Fc(c1)ccc(c12)nc(O)n2CC(O)NNCc3ccccc3 -MOL_01_002047,CC1(F)CC(=CC(F)(F)N1)Cc2ccc(nn2)-c3ccc(cc3F)-n4cccc4 -MOL_01_002048,CNc1cccc(c12)CC3CN2/N=C4\C(=CC=C4)CC(O)CC3 -MOL_01_002049,O=Cc1c(F)ccc(c12)nc(cc2)-c3ccc(cn3)C(O)N4CNCN4 -MOL_01_002050,FNc1c(CF)cc(cc1CC)C(=O)c2c(F)cc(n23)cc(NF)cc3 -MOL_01_002051,CNc(c1)c(NC)cc(c12)ccnc2N3CC(F)CC(C3)c4ccccc4 -MOL_01_002052,n1ccnc(c12)ccc(c2)-c3c(C)n(C)c(O)c3-c4cccc(CF)c4 -MOL_01_002053,FCc1ccc(cc1)NC(=O)NC(C2=O)=C(F)N=C(C2=3)N=CC3 -MOL_01_002054,c1cccc(c12)C(C3N2CNC3)Nc4cccc(c4)CN -MOL_01_002055,O=C(O)CC(C1=O)=C(O)C(C)=C2N=C(C3=C12)CCC3 -MOL_01_002056,C1CCCCN1c2nc(C)nc(c2)CNCc3ccc(F)cc3F -MOL_01_002057,c1nc(C)cc(c12)c(nc(n2)NC)NCc3ccc(cn3)NC(O)c4ccc(F)c(F)c4 -MOL_01_002058,c1cccnc1CCN(C2F)C(O)c3ccc(C(F)F)c(c3c24)ncc4 -MOL_01_002059,Cc1cccc(c1C)CCC(N)CC(C2=N)=c(cc(C)cc3)c3=C(C2=4)C=CC4 -MOL_01_002060,FC(F)c(nc1)cc(c12)c(ncn2)NCC(O)NC3CC(C3)C4CCC(C)CC4 -MOL_01_002061,CCc1cc(ncn1)N(CNC2)CC23CCN(C3=O)c4cncnc4 -MOL_01_002062,ON(F)CN(CO1)C(O)c(c12)c(F)ncc2CCF -MOL_01_002063,Fc1cccc(c1)Cc(c2F)c(F)nc(n23)nc(n3)NCc4ccccc4F -MOL_01_002064,Fc1ccc(cc1)C2(NCNCN2)c3ncc(n34)CCCCCC4 -MOL_01_002065,c1ccccc1N(C)c2ccc(cc2N(F)F)CC(CN)c3nnc(n34)CNCCC4 -MOL_01_002066,NCC(O1)(N)CCc(c12)c3c(c(c2)O)c(O)c4c(c3C)cccc4 -MOL_01_002067,CCc1ccc(cc1)-n2c(Cc3cccn3C)cnc2NCC(O)N4CCC(C)CC4 -MOL_01_002068,CNc(c1)c(CC)cc(c12)nc(nc2F)N3CCN(CC3)CC(=O)NCCF -MOL_01_002069,CN(C)c1ccc(cn1)NC(O)c2cc(-c3ccccn3)nc(c24)cccc4 -MOL_01_002070,C1NNCN1c(c2)ncc(c23)nc(nc3F)-c4cccc(c4)NC(F)(F)F -MOL_01_002071,CC(O)Nc1ccc(cc1)-c2c(nc(n23)NCC3)-c4ccc(cc4)NC(F)O -MOL_01_002072,C=1C=Cc(c12)c3c(cc2)=CC=C3C4C=CC(NN4)NCNCc5ccccc5 -MOL_01_002073,CC(=N)CN(C(C)C1)Cc(c2=C13)cccc2=NC3=O -MOL_01_002074,n1cc(F)c(F)c(c12)nc(O)c(n2)C(O)Nc3ccccc3CF -MOL_01_002075,Fc(n1)cc(F)c(c12)cc(nc2)NC(O)CCc3cccnc3C(F)(F)F -MOL_01_002076,CN(C)Cc1cnc(F)nc1C2NCCN2c3cccc(F)n3 -MOL_01_002077,Cn1c(=O)n(F)c(=O)c(c12)n(cn2)CNc3cccnc3 -MOL_01_002078,CNc1cccc(c1)CC(C(F)F)n2cnc(c23)c(F)ncn3 -MOL_01_002079,CC(F)Cc1ccc(cc1)NC(=O)C2=NC(F)N=C3C=c(c4=C23)cccc4 -MOL_01_002080,CNc1ccc(nc1)NCCN(C(O)C2=O)c(c23)cnc(c3)NC(F)(F)F -MOL_01_002081,NC1C(CC2)c(c3N12)cnc(F)c3 -MOL_01_002082,NCc(c1)c(NC)cc(c12)C(F)C(CN2)Nc3ccc(F)c(c3)CN4CC=NCC4 -MOL_01_002083,Fc1ccccc1-c2n(C#CO)c(nc2)NCC(O)NC(O)Cc3ccccc3 -MOL_01_002084,Oc1nc(C)cc(c12)C(CC2=O)Cc3cccn3C -MOL_01_002085,c1ccccc1C(=O)Nc2cccc(c2)-c(n3)cc(F)c(c34)cc5c(c4)NCN5 -MOL_01_002086,FC=1C(O)NCN(C12)c3c(CN2)cc(cc3)C(O)Nc4ccc(F)cc4 -MOL_01_002087,Fc1ccc(nc1F)N(C(F)O)Cc(c(F)n2)nc(c23)cc(NF)cc3 -MOL_01_002088,c1ccccc1-c2ccc(cc2)Cc(c(c34)C)[nH]c(c3)cc(CN)c4NC -MOL_01_002089,c1ccccc1-n2c(O)c(c(F)c2C)NC(=O)NC(O)CCc3ccccc3 -MOL_01_002090,CC(F)(C)c1ccc(cc1)NCNc2ncnc(c23)nc(F)cc3 -MOL_01_002091,CC#CN(C(C)C)C(C1)CNc(c12)cccc2C(O)NC(C)C -MOL_01_002092,c1cncc(c12)C(=O)c3c2cc(cc3)C(O)CNc4ccccc4F -MOL_01_002093,CNC(=O)c(c1)ccc(c12)C(F)c3c(C2)ccc(n3)OCC(=O)OC -MOL_01_002094,c1cccc(c12)CN(CCN2C)C(O)C3(N4OC4F)CCCCC3 -MOL_01_002095,n1cncc(c12)cc(C(F)(F)F)n2CCNC(=O)c3ccc(cc3)N4CCNCC4 -MOL_01_002096,Fc1ccccc1C2CCN(CC2)C(c3ccncc3)c4ncnn4C5CCCC5 -MOL_01_002097,Fc(c1)cnc(c12)NC(=O)C2NNC(O)Nc3ccccc3 -MOL_01_002098,Cc1cc(C)c(c(O)c1)-c(c(F)n2)cc(c23)cnc(n3)C -MOL_01_002099,CCCC(N=1)=NC(C12)=C(C(=N2)C(F)(F)F)CN3CC(CC(F)(F)F)CC3=O -MOL_01_002100,c1cccnc1C(F)(CCC(CN23)(NC)C(CC2)CC3)c4cccnc4 -MOL_01_002101,Fc(c1)ccc(c12)C(O)N(C2O)c3c(C(F)F)ccnc3C(F)F -MOL_01_002102,N1CCN=C2C1=C(c(c23)cccc3)CCNCNc4ccccc4 -MOL_01_002103,N1CNC1C(O)N(CCCC)c2c(O)nc(=O)n(c2F)CC(F)F -MOL_01_002104,O=C(F)C(C1)CCc(c12)cnc3c2c(O)nc(F)c3 -MOL_01_002105,Oc1n(C)c(F)cc(c12)nnc2-c3ccccc3 -MOL_01_002106,NCCn1nc(CN)c(c1NF)C(F)c2cc(F)cc(F)c2 -MOL_01_002107,c1ccncc1C(N(F)C2(F)F)NC2c3ccccn3 -MOL_01_002108,CCc1ccc(cc1)C2CCC(C=N2)c3cc(NC)nc(n3)Cc4ccc(F)nc4 -MOL_01_002109,Cc(c1)ccc(c12)Nc3c(NC2F)cc(cc3)C(O)NCc4ccc(CF)cc4 -MOL_01_002110,CN(C)c1nccc(n1)-c2ccc(CN)c(c2)CCc3ccccc3 -MOL_01_002111,CCc1c(NC)cc(cc1CC)Nc2cc(ccn2)-c3ccc(nc3)N4CCNCC4 -MOL_01_002112,FCc(c1)c(NC)cc(c12)nc(F)n(c2=O)CCCC(=O)NCF -MOL_01_002113,OC1C=C(C(=O)F)CC12c3c(CN2)cccc3 -MOL_01_002114,c1cccc(c12)C(C3CC3)C=4C(=C(C)C2O)C=CC(C4)=N -MOL_01_002115,Nc1c(F)cc(cc1NF)N(F)CCc(n2)cc(F)n(c23)nc(n3)CF -MOL_01_002116,Cc1cncc(c1)C2=CCN(C=C2)c3cccc(c34)n(cc4)-c5ccnnc5 -MOL_01_002117,c1ccccc1-c2n(C)c(C)c(c2O)NC(F)NCc3ccccc3 -MOL_01_002118,CC(F)n1c(F)nc(c12)cc(cc2)C(O)Nc3ccccc3 -MOL_01_002119,FCC1=C(C)NC(O)C1(C(F)(F)F)Nc2ccc(C)cc2 -MOL_01_002120,Fc1ccc(cc1F)Cc(c2)ncc(c23)nc(n3C)CNc4cccc(C(=O)F)c4 -MOL_01_002121,NCc1ccc(c(F)c1C(F)(F)F)N2C(=O)CCC2C(F)C(F)(F)F -MOL_01_002122,FNc1c(C)c(NF)cc(c12)nc(cc2F)-c3ccc(N)c(NF)c3 -MOL_01_002123,NNc(c1)c(CN)cc(c12)cc3c(c2)c4c(C3)cc5c(c4)CCN5 -MOL_01_002124,c1cccc2c1C(O)N(CNN3)C23c4c(cccc5)c5cc(c46)cccc6 -MOL_01_002125,Fc1ccc(cc1)C2(NCCN2)CNCN(CC3)CNC34Cc5c(C(F)N4)cccc5 -MOL_01_002126,c1cc(F)cc(c12)C(C(F)(F)F)(CC(N2)O)CCc3ccncc3 -MOL_01_002127,FC(F)OC(=O)NC(O1)c(cccc2)c2OC13CCN(CO3)CCF -MOL_01_002128,c1cccnc1C(CN)c2cccnc2 -MOL_01_002129,Fc1ccc(cc1)C(C2=O)N(N)c(c23)cc(F)cc3 -MOL_01_002130,Fc1cn(cn1)-c2ccc(cc2CN)-c3cn(nn3)CNC(O)c4cccc(c45)cccc5 -MOL_01_002131,O=C1NCC(C(F)F)N1c2ccnc(n2)NC(F)c3ccccc3F -MOL_01_002132,CNc1ccccc1-c(c2)ccc(c23)cccc3C(C=4)=CC(C45)=C(O)CC=N5 -MOL_01_002133,C1C=CCc(c12)c(cc(O)c2C)C3CN(CC3O)c4ccccc4 -MOL_01_002134,c1cnccc1CN(C2(F)C(F)(F)F)NC(C2)c3cc(C)ccn3 -MOL_01_002135,Fc1ccc(cc1F)C(O)Nc(c2)ccc(c23)nc(cc3F)N4CCN(CF)NC4 -MOL_01_002136,Fc1ccc(cc1)C(F)(F)N2CNC(CC2)C(O)Nc3ccccc3N4CCCNC4 -MOL_01_002137,OC(O)Cc(c1)cc(F)c(c12)NC(CC2)COF -MOL_01_002138,N1CCN=CC1N2Cc(cc(N)cc3)c3C(O)c(c24)cccc4 -MOL_01_002139,CCc1c(F)cnc(c1Cl)CC(F)C(N=2)=NC(C23)=CN=C3 -MOL_01_002140,FC(F)(F)NC(O)N/N=C(c(c12)cncc2)/C(O)N1CCNCNF -MOL_01_002141,FCNCn(c1O)c(=O)nc(c12)Nc3c(N2)ccc(F)c3 -MOL_01_002142,FC(O)C1CNCc(c12)cc(cc2)-c3cncc(c3)CN4CCNCC4 -MOL_01_002143,c1cccc(c12)C(=O)c3c(C2O)c(cc(c3F)C(F)F)Nc4ccc(F)cc4 -MOL_01_002144,COc1ccc(cc1)CN(C(O)C2O)c(c23)ccc(c3)CC(F)(F)F -MOL_01_002145,FCC1CC(CN1)n2cnc(c23)c(F)cc(n3)F -MOL_01_002146,FCc1c(NF)cc(cc1CF)N(CF)Cc(c2)cnc(c23)nc(F)nc3F -MOL_01_002147,c1ccccc1CC=2C(N3CCC(F)CC3)=CC(C24)=C(C)C(=O)C=C4O -MOL_01_002148,FC(C1)C(O)Nc(c12)ccnc2N(C)CCCCCC(F)(F)F -MOL_01_002149,CCc1ccc(NC)c(c1)NC(O)CC(C2=O)=CC=C(C2=3)C(=CC3)c4ccccc4 -MOL_01_002150,CNc(c1)c(NC)cc(c12)nncc2-c3ccc(nc3)N4CCNCC4 -MOL_01_002151,FC(F)c1cc(cnc1)C(=O)NC(CC(F)O)c(c2)ccc(c23)CCC3 -MOL_01_002152,c1cccc(c12)C=3C(=NC2=O)C=C(N3)c4ccc(F)cc4 -MOL_01_002153,CCCC(=O)c1cc(CF)c(nc1C)NCC(F)c2cc(CF)c(NC)nc2F -MOL_01_002154,C1CNCC1NC(=O)c(n2)nc(F)c(c23)cnn3Cc4cccc(F)c4 -MOL_01_002155,Cc1cnc(cn1)C2CCC(CC2)c3ccc(cn3)NCc(n4C)nc(c45)cncc5 -MOL_01_002156,c1c(F)cc(F)c(c12)nc(NCCOC)n2Cc3nc(F)ccc3F -MOL_01_002157,Cc1cnc(c(F)c1)C(O)Oc2ccc(F)c(c2)C3(C(F)F)C=C(F)CCC3 -MOL_01_002158,C1NC1CNC(O)c(c2)ccc(c23)c4n(c3)c5c(CC4)cc(F)cc5 -MOL_01_002159,Fc1ccc(cc1)NC(=O)NC(F)(O)c2cn(F)c(c23)cccc3 -MOL_01_002160,CC(F)(F)n1cnc(c12)nc(cc2)NC(=O)c3ccccc3 -MOL_01_002161,N1=CN(C)CC12c3c(NCN2)ccc(c3)-c4cccc(c4)CCN -MOL_01_002162,O=C(O)CCN1C(=O)OC(C1=O)Cc(c(F)n2)cc(c23)cc(F)cn3 -MOL_01_002163,CC1NC(N)Cc(c12)c(ccc2NC)-c3ccc(O)cc3 -MOL_01_002164,Fc(c1)ccc(c12)nc(O)n2CC(O)N3CCN(CCF)CC3 -MOL_01_002165,c1ccccc1CN2CCC(NC2)CCNc(nn3)cc(c34)Cc5c4cccc5 -MOL_01_002166,CCCNCc(c1)ccc(c12)C(=O)C(=CC2)CC(C)N -MOL_01_002167,Nc1ccc(cc1)C(O)c(c(c23)ccc(F)c3)n(n2)-c4ccc(F)cc4 -MOL_01_002168,Cn1cnc(N(F)F)c1CC(C2=O)Nc(c23)cccc3 -MOL_01_002169,OCCNCC1=C(O)N=C(c(c2)ccc(c23)CCN3)C(C1)C(O)CCc4ccccc4 -MOL_01_002170,c1cccc(c12)c(F)nnc2CC(=O)Nc3cc(F)ccc3-n4ccnc4 -MOL_01_002171,C1CNCN1CC(C(F)O)NC(=O)c2ccc(F)c(c2)-c3ccc(F)cc3 -MOL_01_002172,FC(F)c1ccc(cc1)NC(=O)Cc2cccc(c23)C(=O)N(F)C3F -MOL_01_002173,NCc1ccc(cc1)-c(c2NCCF)nc(O)c(c23)cc(F)cc3 -MOL_01_002174,NC(F)c1cnc(nc1)NC2(c3ccccc3)C=CN(CC2)C(F)(F)c4ccc(C)cc4 -MOL_01_002175,Cc1ccccc1-c2c(F)nc(F)nc2C(O)Nc3ccccc3F -MOL_01_002176,Cc(c1)ccc(c12)cc(CN)c(n2)NCC(O)Nc(c3)ccc(c34)NCC4 -MOL_01_002177,C1CC1C(=O)N(C2(O)C(F)(F)F)NC(C2)c3ccc(F)cc3 -MOL_01_002178,FCC1CN(CCN1)C(=O)c(n2)ccc(c23)cc(cc3)Nc4ccc(C(F)(F)F)cn4 -MOL_01_002179,Cc1cccc(c12)C(O)C(O)N2CCCc3ccccc3F -MOL_01_002180,FCCc(c(C(F)(F)F)c1)cc(c12)NC(CC(=O)N2)c3cccc(c3)-n4ccnc4 -MOL_01_002181,Fc1cnc(cn1)-c2ccc(cc2F)-c3ccccc3C(F)(F)N4CCNCC4 -MOL_01_002182,CCc1cnc(cc1F)-c(c(F)c2O)nc(c23)cc(F)cc3 -MOL_01_002183,c1ccccc1C(N)c2cccc(c2)-c3ccc(cc3)C4NCCNN4 -MOL_01_002184,O=C(F)c(cn1)c(O)c(c12)CCC(C)C2CCc3ccccc3 -MOL_01_002185,Cc1ccc(cc1)NC(O)c2c(C)nn(c2F)-c3ccccn3 -MOL_01_002186,Nc1c(F)c(F)nc(c1F)C(O)N2C=C=C(C(F)O)CC2 -MOL_01_002187,Cc1nccc(n1)Nc(c2)ccc(c23)CCN(C3)C(O)NC(C)c4ccc(F)c(F)c4 -MOL_01_002188,FC(F)(F)c(c1)c(F)cc(c12)NC(CC(N2)O)c3cccc(c3)-n4ccnc4 -MOL_01_002189,c1cccc(c12)n(c(O)c2O)CCCCN(C3O)C(O)c(c34)cccc4 -MOL_01_002190,CCCCN(C(O)N1)Cc(c12)cc(cn2)C(O)c3cc(F)ccc3F -MOL_01_002191,CCc1cc(ncn1)N2CCC=C(C2)C(O)c3ccc(ON)cc3N -MOL_01_002192,FCCNCCNC(=O)C(=O)Nc(c(c12)CNC2)n(c1)-c3ccc(F)cc3 -MOL_01_002193,FCCn(c(n1)O)c(=O)c(c12)ccc(c2)C(O)N(CCF)Cc3ccccc3 -MOL_01_002194,C1CNCNCC1c(c(c23)CNC(N3)(N)N)cc(c2N)NCCc4ccccc4 -MOL_01_002195,FCCn(c1F)c(F)c(c12)c(cnc2F)NNCc3cnn(CF)c3 -MOL_01_002196,C1=CC=C(C1=2)c3c(C2)c(O)c(cc3CC)CC(O)N4CCCCC4 -MOL_01_002197,CNCN(CCF)C(=O)C(CC(F)N1)=Cc(c12)ccc(c2)C(O)Nc3cccc(F)c3 -MOL_01_002198,N=1C=Nc(c12)c3c(=NC=N3)c(n2)N4CCNCC4 -MOL_01_002199,c1cccc(c12)ccc(N)c2Cc3c(F)nc(F)nc3-c4cccnc4 -MOL_01_002200,Cc(c1)ccc(c12)cc(c(n2)F)CN(Cc3ccc(F)cc3)Cc4ncnn4C5CCOC5 -MOL_01_002201,c1cc(F)cc(c12)NC(O)C(C)N(C2=O)Cc3ccc(C(=O)F)cc3 -MOL_01_002202,C1NCC(N12)C(NCCF)Cc3c(C2=O)cc(F)cc3 -MOL_01_002203,Oc(c1)cnc(c12)nc(CF)n2CCNCc3ccc(F)cc3 -MOL_01_002204,CNC(=O)c1cccc(c12)nc3c(n2)ccc(n3)C(O)NCCF -MOL_01_002205,CNc1c(CN)cc(cc1NC)NCCn(cc2F)cc(c23)nc(c3)C -MOL_01_002206,Fc1ccc(cc1)NC(=O)CNc2n(C)c(nc2)CNC(O)c(c3)ccc(c34)CCN4 -MOL_01_002207,CNc(c1)c(CN)c(CN)cc1C2N(NNCNCC(F)C)CNc(c23)cc4c(c3)NCCC4 -MOL_01_002208,c1cncc(c12)nc(NCF)c(=O)n2CC(O)Nc3ccccc3NCF -MOL_01_002209,CNc1cc(N)cc(c1)CC2=NC(NC2)c3cc(-c4cc[nH]c4)cc(c3)N5CC=CC5 -MOL_01_002210,Cn1cc(F)c(c1F)C2CCCN2C(O)CCNc3ncccn3 -MOL_01_002211,FCc1ccccc1N2CCN(NC2)Cc3cn(cn3)-c4cnccn4 -MOL_01_002212,CN(F)Nc1ccccc1-c(c2)ccc(c23)ncnc3NNc4ccccc4 -MOL_01_002213,CN(C)CCCNC1Cc(cccn2)c2Nc(c13)ccc(F)c3 -MOL_01_002214,NCc(c1)ccc(c12)C(F)(C(N2)O)Cc3ccccc3NN -MOL_01_002215,Fc1ccc(cc1)CCC2(Cn3ccnc3)CCC(N2)CNc4ccc(C(F)(F)F)cn4 -MOL_01_002216,c1ccccc1CC(C2=O)=C(O)C=C(C2=3)C=C(C3C)NCC4CCCC4 -MOL_01_002217,Cc1ccccc1Nc2ccccc2C(=O)C3NCC(C4NN4)c(c35)cccc5 -MOL_01_002218,CCOc1cnc(cn1)Cn2ccc(c2F)C(O)Nc3ccc(CN)cc3ON -MOL_01_002219,Oc1ncnc(c12)c(F)ccc2N3CCCCC3 -MOL_01_002220,c1cc(F)cc(c12)n3c(c2)nc(cc3O)N4CCNCC4 -MOL_01_002221,CNc1c(CF)nc(nc1NC)-c(n2C)nc(c23)cncn3 -MOL_01_002222,C1NCCc(c12)c(ncc2F)CCc3cccc(c3)NC(F)CNC(F)c4ccccc4 -MOL_01_002223,Cc1ccnc(c1)C(O)Nc2cc(-c3ccc(nc3)NC(C)O)ccc2N4CCN(C)CC4 -MOL_01_002224,Fc1ccc(cc1)CN(F)N(C2c3cccnc3)NC(F)Nc(c24)ccc(F)c4 -MOL_01_002225,c1cccnc1NC(O)NC(F)C(N=2)=C(F)C(C23)=NC=N3 -MOL_01_002226,c1ccc(F)c(c12)cn(c2O)C(=O)N3CCC(OC3)N4CCNC4O -MOL_01_002227,C1=NCCCC1CC(=O)Cc(c2O)ccc(c2=3)=C4C(C3)=CC(CCl)=C4 -MOL_01_002228,Fc1ccc(cn1)-c2cnc(nc2)CCC(C3)CCn(c34)cc(n4)C(F)F -MOL_01_002229,Fc1ccc(cc1N)C(O)CNc2ncc(n2CCO)-c3cccnc3 -MOL_01_002230,n1cncc(c12)C(O)c3c(C2O)ccc4c3NCN4 -MOL_01_002231,FCc1c(F)cc(cc1)-c(cc2NC)cc(c23)CN(CCN3)C(O)C4CN4 -MOL_01_002232,CCC1C(=O)CCC1C(=O)CCc2cccc(C(F)(F)O)c2O -MOL_01_002233,Cc1cc(F)nc(c12)NCC(O)N2CC(O)Nc3cccc(F)c3 -MOL_01_002234,n1ccc(c12)c(O)n(cn2)CC3(F)CCN(CC3)C(O)CCc4cccnc4 -MOL_01_002235,O=c1nc(O)n(CCF)c(F)c1N(CCCCl)C(O)CC2CCCC2 -MOL_01_002236,c1cnccc1-c2cnc(O)c(c2)NC(O)C(F)Cc3cccc(F)c3 -MOL_01_002237,c1cccc(c12)c(F)cnc2C(NC(=O)c3ccccc3)C(O)NCCc4ccncc4 -MOL_01_002238,FCc(c(F)c1)cc(c12)nc(F)c(c2O)-c3cccnc3 -MOL_01_002239,Cc1cc(O)n(c(=O)n1)CCCN2CCN(CC2)c3ccc(F)cc3CCC(F)(F)F -MOL_01_002240,Fc1cc(F)ccc1CNC(=O)Cc2c(F)cn(c2F)-c3ncc(F)cc3F -MOL_01_002241,CCCCN(C)C(O)C(N=1)=CC(C12)=C(C=N2)c3ccccc3 -MOL_01_002242,Cc1ccc(nc1N(C)C)CNCC2(F)CCN(CN2)C(=O)c3ccc(F)c(F)c3 -MOL_01_002243,CNC(O)c(c(n1)N(C)C)nc(c12)NCN(CC2)c3ncc(F)cn3 -MOL_01_002244,FCNc(n1)cc(F)n(c12)cc(F)c2-c3ccc(NF)cc3 -MOL_01_002245,c1cc(N)cc(c12)C(N)Nc3c(N2CN)cccc3 -MOL_01_002246,CCCCn1cc(NC(O)NCC)c(c12)ccc(c2)-c3ccccc3 -MOL_01_002247,Fc1ccccc1N2CCN(CC2)C(=O)c3ccc(F)c(c3)C(F)(O)N4CCCC4 -MOL_01_002248,Cc1cn(c(n1)C)CCCn2ccnc2-c(c3)cc(n34)CNCCC4 -MOL_01_002249,Cn1nc(C(F)N)c(c1N(C)C)CNCc(c2)ccc(c23)NCNC3 -MOL_01_002250,CNc1cc(C(F)(F)F)ccc1-c2cccc(c23)cc(cn3)CNc4ccncc4 -MOL_01_002251,FNc(c1)c(CF)cc(c12)c(ccn2)Nc3cncc(NF)c3 -MOL_01_002252,N1CNc(c12)cccc2C(NC(O)N(F)F)c3cnccc3C(F)(F)F -MOL_01_002253,Fc1cnc(cc1)-c2cc(nn2C)C(O)NCCCCCCF -MOL_01_002254,Cc1ncc(cn1)C(O)c2cc(F)ncc2CCc3cc(F)c(cn3)N4CCCCC4 -MOL_01_002255,CC(O)c1cccc(c1)C(O)(O)c2cn(C)c(c23)nccc3 -MOL_01_002256,Fc1cc(ccn1)CC(=O)Cc2ccc(c(c23)cccc3)Cc4ncnc(c4=5)=NC(N5)=O -MOL_01_002257,CCn1ccc(c12)CN(CC2CNC)c3ncc(F)cn3 -MOL_01_002258,c1cccc(c12)cccc2C(=O)C(C3)CC(N34)CN(C4)c5cccc(c5)CN -MOL_01_002259,Cc1ccc(cc1)C(C=2)=Cc(c23)c(O)c=4c(c3)C(=CC4)C5CCC(C5)CN -MOL_01_002260,CNc1ccc(cc1)N(c(c23)cc(C)cc3)C(C2F)c4ccc(CN)cc4 -MOL_01_002261,c1ccccc1C(F)N(CCCC)Cc(n2)nc(F)c(c23)cnn3C -MOL_01_002262,CNc1ccc(CN)c(c1)-c2cc(-c3ccc(F)cc3)nc(n2)N4CCCNC4 -MOL_01_002263,CCc1ccc(cc1F)N(C2O)Cc(c23)nc(nc3)N4CCCC4 -MOL_01_002264,NCc(c1)c(CC)cc(c12)Cc3c(C2)nccc3Nc4cc(CN)c(F)cc4F -MOL_01_002265,CC(F)(C)NC(O)c1cc(F)ccc1-c2ccc(c(F)c2)-c3cnc(F)cn3 -MOL_01_002266,NCc1ccc(cn1)CCNN(F)c(c2)cc(c3c24)CCNN3C(C4)O -MOL_01_002267,FC(F)=NC(O)c(cc1)cc2c1c(cccc3)c3C24CCCNC4 -MOL_01_002268,O=C1C=C(O)C(C)=C(C1=2)C=C(NCC(=O)F)C2Cc3ccccc3 -MOL_01_002269,Oc(c1)cnc(c12)CC(=O)CC2c(c3)ccc(c34)CCC4 -MOL_01_002270,CCc1ccc(cc1F)-c2cn(cn2)Cc3cc(NC)c(CC)c(c3)NC -MOL_01_002271,CCc1ccc(C(F)(F)F)cc1NC(=O)c(n2)cn(c23)c(C(F)F)cc(n3)C -MOL_01_002272,C=1CCCC(C12)=C3C(=N2)CC(OOC3CCC)Cc4ccccn4 -MOL_01_002273,Fc1nc(F)nc(n2)c1c(c(c23)c(F)nc(n3)N)-c4ccc(cc4)N5CCCCN5 -MOL_01_002274,FNc1c(CN)c(NF)cc(c12)ccn2C(O)c3ccc(NF)cc3 -MOL_01_002275,CCc1ccc(cc1)C(=O)Nc(n2)nc(F)c(c23)cc4c(c3)CCN4 -MOL_01_002276,FCCCNc(n1)ncc(c12)c3c(n2CCl)cccc3 -MOL_01_002277,OCC(O)C(O)c1nc(F)nc(F)c1-c2ccc(F)c(F)c2 -MOL_01_002278,NNc1cc(ccc1)CN(C)c2ncnc(c23)NCN(C3)c4ccc(F)cn4 -MOL_01_002279,Nc1ccc(c(c1)NN)C2OC(c3ccccc3)=CN2c4ccc(cc4)-c5ccccc5 -MOL_01_002280,c1ccnc(c12)c(O)c(cc2CN)-c3ccccc3 -MOL_01_002281,CNc1cc(CN)cc(c12)NC(C2F)Nc(c3)cnc(c34)cccc4 -MOL_01_002282,Cn1cc(C(F)(F)F)c(N(F)F)c1C(O)Nc2ccccc2F -MOL_01_002283,CCN(CC)CC(=O)NC(N=C1)=C2C(=O)C=c(c3=C12)cccc3 -MOL_01_002284,c1ccccc1Cc(c2)c(=O)nc(n23)c4c(cccc4)nc3CCC(F)F -MOL_01_002285,FCc(c1)ccc(c12)nc(F)cc2-n3cnc(c3)CN4CCN(C(F)F)NC4 -MOL_01_002286,CNC(N=1)=NC(C12)=CC(=N2)c3ccncc3C(=O)F -MOL_01_002287,N12CN(N1)C(N2)C3(O)c(cccc4)c4c(c35)cccc5 -MOL_01_002288,C1CCCC1CC(=O)c(cc(c23)nccc3)n2CCCCCO -MOL_01_002289,c1cnccc1C(=O)N(OC(CCl)C2)C2(F)c3ccncc3 -MOL_01_002290,Nc(c1)ccc(c12)N(F)C(N(F)C2)c3ccc(C(F)(F)F)nc3 -MOL_01_002291,CNC(F)CN1CN(c(c12)ncc(F)c2)Cc3ccc(NF)cc3 -MOL_01_002292,N1CNCc(c12)c(C(F)F)nc(c2CN)NCCF -MOL_01_002293,NCc1ccc(cc1)Nn2c(-c3ccccc3)nc(c24)c5c(nc4)cccc5 -MOL_01_002294,c1cccc(c12)n(CF)c(=O)cc2CCC(=O)NCCCN3CCC(F)CC3 -MOL_01_002295,CCNC(=O)Nc1cc(NC(O)CCN)ncc1Nc2cc(C)c(CC)cc2C(F)C -MOL_01_002296,CNc1nc(OC)c(OC)cc1CN(C2)COc(c23)cncn3 -MOL_01_002297,Nn1cccc1CNC(O)N(CCF)C2CCNc(c23)nccc3 -MOL_01_002298,c1cccc(c12)cc(O)c(c2)C(O)C3CCN(CC3)c4ccc(cn4)C5CCNCC5 -MOL_01_002299,NCc(n1)ccc(c12)ncc(F)c2NCN3CC(F)C(C3)CNCc4ccc(F)cc4 -MOL_01_002300,CCc1cnccc1NC(=O)CC2CCN(CC2)C(O)c3cc(ccn3)-n4ccnc4 -MOL_01_002301,CNc1ccc(cc1)-c(c2)ccc(c23)nccc3NC4CNN(C4)C(F)c5ccccc5 -MOL_01_002302,O=CCc(c1F)c(F)cc(c12)NC(C=C2O)c3ccc(F)cc3 -MOL_01_002303,n1cncc(c12)cc(CN)c(c2)NCCc(n3)cnc(c34)cccc4 -MOL_01_002304,Cc1cccc(c1)CC(F)(F)c2ncc(F)c(n2)C(=O)Nc3c(C)cccc3F -MOL_01_002305,Fc(c1)ccc(c12)nc(O)n2CCNc3ccccc3NF -MOL_01_002306,O=C(F)c1ccc(cc1)CC(=O)CCC2=Nc(cccc3)c3C(N24)CCC4 -MOL_01_002307,n1ccc(c12)n(C)c3c2ncn(c3O)Cc4ccccc4F -MOL_01_002308,N1NOC(N2N13)C(N(N2N3)C=C)c4ccccc4 -MOL_01_002309,Fc1cccc(c12)C(=O)CC(C2O)CNCC(=O)CCCN(F)CN3C#CCCC3 -MOL_01_002310,c1cccc(n2)c1c(c(c23)c(F)nn3N)NCCCNC(F)(F)F -MOL_01_002311,C=C(C)n1c(O)c(C(Cl)O)c(c12)cccc2 -MOL_01_002312,c1cccc(c12)OCCN2C(O)CNc3nc(F)nn3-c4ccccc4 -MOL_01_002313,FC(F)C(F)(F)Nc1c(F)c(C)c(nc1)NC(=O)NC(O)c2c(F)cccc2F -MOL_01_002314,CN(F)c1cccc(c1)N(F)C(NF)c(c(F)n2)nc(c23)ccc(F)c3 -MOL_01_002315,c1cncc(c12)C(O)N(c(nc3)ncc3F)C2Nc4ccccc4 -MOL_01_002316,c1ccc(c2c13)ccc(c2NCC3=O)C4=NCN(NC4)Cc5ccccc5 -MOL_01_002317,NNc(c1)ccc(c12)c3c(cn2)c(O)n(n3)-c4ccc(F)nc4 -MOL_01_002318,C1CNCNC12C(F)NCN2c3cccnc3 -MOL_01_002319,FCCn(cn1)c(O)c(c12)ncc2C(F)O -MOL_01_002320,Fc(c1)ccc(c12)CNC(=O)N2NCNC(O)Nc3cc(F)cnc3F -MOL_01_002321,OC(F)CCc1cccc(c1)-n2c(C(F)O)cc(c23)cccc3 -MOL_01_002322,FCCNCNC(F)(F)c1cc(CF)c(c(NF)c1)C2(F)C=CNCC2 -MOL_01_002323,O=C(F)C1CC1C(=O)N2CCc(c23)cccn3 -MOL_01_002324,CCCC(N=1)=CC(=O)C(C12)=NC(=C2CN)NCc3ccc(C)cc3 -MOL_01_002325,CC(=O)CC1CCC(CC1)c2ccc(cc2)C(C3O)CCCc(c34)nc(C)cc4F -MOL_01_002326,NNCC(C=1)=CC(C12)=CC(c3ccccc3)CN2c4ccccc4 -MOL_01_002327,NNc(c1)c(NC)cc(c12)c(cnc2CNC)Cc(c3)cnc(c34)ncc(n4)F -MOL_01_002328,CCc1ccc(cc1)C2=CC=C(C2=3)C(=O)C(=CC3)CC(=O)Cc(c4)ccc(c45)NCCN5 -MOL_01_002329,Fc(c1)c(C)cc(c12)n(cn2)CCC(O)Nc3cccc(c3)NC(F)O -MOL_01_002330,CNc1cc(ccn1)CNCC(F)(c2ccc(F)nn2)c3ncc(F)cn3 -MOL_01_002331,FC(F)c1cccc(c12)c(cc(n2)F)NCC3NCN(F)CN3 -MOL_01_002332,Cc1ccc(cc1F)NC(O)C2CC(=O)Nc(n23)ncc3 -MOL_01_002333,FNNNc1ccc(cn1)-c2ncc(F)n2-c3ncc(N(F)F)cn3 -MOL_01_002334,CNc1ccc(c(c1)C(O)CF)Nc2ncnc(F)c2NCC(F)O -MOL_01_002335,Fc1ncc(cn1)-c2ccc(cc2F)-c3ccccc3C(F)(F)c4ncncc4F -MOL_01_002336,c12cnc(CN)c(n1)CC/C=C/CCc3c(NC(O)N2)cc(F)c(c3)NCCCF -MOL_01_002337,C1CNCCC1N(C(O)N2)C(O)C2(c3cccc(F)c3)c4cccc(F)c4 -MOL_01_002338,Fc1cc(F)cnc1NCC2=NC#CC(N2CC(F)NF)NCc3ccc(F)nc3F -MOL_01_002339,FCc(cc1)cc(c12)ccn2-c3cc(NC(C)CF)c(cc3)C(O)NCCC(F)(C)C -MOL_01_002340,c1cncc(c12)C(=O)C(F)C(C2=O)Nc3ncccn3 -MOL_01_002341,c1ccnc(c12)cc(nc2)NC(=O)N3CCC(CC3)c4cncc(C(F)(F)F)c4 -MOL_01_002342,Fc(c1)c(F)cc(c12)nc(N3CC3)n2CC(=O)NNCc4cc(F)ccc4F -MOL_01_002343,n1ccnn1-c2ccccc2C(F)N3CCCCC3Cc4cccc(c4)-c5ncccn5 -MOL_01_002344,c1cccc(c12)cnc(n2)CC(C3(F)F)CN(CN3)C(F)c4ccccc4-n5cccc5 -MOL_01_002345,Fc1ccc(nc1N)C2NC(=NN2C(F)F)c3ccc(NF)cc3 -MOL_01_002346,Cc1nc(F)c(C(=O)F)nc1-c2ccc(cc2)C3CCC(CC(=O)F)CC3 -MOL_01_002347,c1[nH][nH]c(c12)c3c(c2)cc(CC)c(c3N)-c4ccccc4NN -MOL_01_002348,CCCC(F)(O)N(CC1)CCC1(c2ccccn2)CNC(=O)c3ccc(F)cc3F -MOL_01_002349,Fc1ccc(cc1)C(O)NCCn2cnc(c23)cc(C(F)(F)F)cc3 -MOL_01_002350,CCc1ccc(cc1)Nc2nc(F)nc(c23)c(F)ncc3 -MOL_01_002351,CCN(CF)CC(O)Nc1c(NCF)c(COCF)nc(c12)cccc2 -MOL_01_002352,Fc1nc(ccn1)C(CF)C(O2)Nc(c23)cccn3 -MOL_01_002353,OCNCc(c1)ccc(c12)c3c(NC2)c(O)cc(c3)NCC4CC=NCN4 -MOL_01_002354,Fc1cccc(c12)C(O)c3c(C2O)ccc4c3c(F)cc(n4)F -MOL_01_002355,Cc1cc(F)cn1-c(nc(c23)cccc3)c(n2)Nc4ccc(CC(=O)F)cc4 -MOL_01_002356,NC(N)(N)c(cc1)ccc1C(=C2)C=C(C3)C2=C(c(cc4)c5cc34)c6c5cccc6 -MOL_01_002357,c1ccccc1CC(CN2)=C(C23O)CC(O)(O)c4ccc(N3)cc4 -MOL_01_002358,c1cccc(c12)C(CC(=O)NC)N(C(F)F)C(N2)N3CCCCC3 -MOL_01_002359,CN1CCN(CC1)C2Nc(cccc3)c3C(CCN)c(c24)cccc4 -MOL_01_002360,CN1CNCCN1C(F)c2ccccc2-c3ccc(c(F)c3)-c4cnc(F)nc4 -MOL_01_002361,OC(F)c1cc(ccn1)-c2ccc(cc2)C(O)NCCCc3cc(C(F)F)ccc3F -MOL_01_002362,Fc1cc(ccc1)C(CC)CNC(O)CNC(=O)c2ccccc2 -MOL_01_002363,O=C(F)C(C(F)O)Nc1nn(c(c12)cccc2)Cc3ccccc3 -MOL_01_002364,Fc1ccc(cc1)-c(n2)c(NCN(F)F)nc(c23)nc(cn3)C(F)O -MOL_01_002365,CNc1ccc(cc1N(F)F)C(O)(O)N2CCCc(c23)cccc3 -MOL_01_002366,FN(Cl)CCC(C1=O)C(F)C(=O)c(c12)nccc2 -MOL_01_002367,c1ccc(F)c(c12)nc(=O)n(c2O)CCC(F)n3ccnc3 -MOL_01_002368,Fc(c1)cnc(c12)c(cc(F)c2)Nc3cccc(c3)C4(F)CNCC(F)N4 -MOL_01_002369,c1ccccc1N(C2(O)O)C(CC(F)O)c(c23)cccc3 -MOL_01_002370,FCNc(c1)c(NCC)nc(c12)c(ncn2)Nc3cnc(F)c(F)n3 -MOL_01_002371,CCc1c(NC)cc(cc1CC)N2C(O)CNC2c3cccc(c3)NC -MOL_01_002372,CCOC(=O)C1=C(Cl)N(C(O)C1CCN)Cc2ccccc2 -MOL_01_002373,CC(F)c1cccnc1CC(O)c2ccnc(c2)NC(=O)c3ccncn3 -MOL_01_002374,c1cccnc1C(F)NNc2nc(O)c(C(F)F)c(n2)Nc3c(F)cccc3F -MOL_01_002375,CCc1ccccc1N2CCN(CC2)CCCc(c3)ccc(c34)NC(=O)CN4 -MOL_01_002376,Fc1c(O)cncc1N(C)NC(=O)C(Cc2ccc(F)cc2)NC(=O)c3ccccc3 -MOL_01_002377,c1cccc(c12)ccc(c2)C(O3)(O)C34C=CC=C4CN -MOL_01_002378,CNc(c1)ccc(c12)ncc3n2c(nc3F)-c4cc(F)ncc4F -MOL_01_002379,c1nc(F)cc(c12)ncc(c2F)-c(c(F)c3)cc(c34)NCC(F)(F)N4 -MOL_01_002380,CNc1cnc(OC)c(c12)c(F)cc(n2)N(C)CCF -MOL_01_002381,Cc1ccc(cc1)NC(=O)Nc2c(O)c(n(C)c2C)-c3ccccc3 -MOL_01_002382,c1cccc(c12)N(CC(N2)O)C(O)c3cncc(c3)-c4ccccc4 -MOL_01_002383,CC(F)c1cccc(C(F)F)c1CCCn2cnc(c23)C(F)CNCN3 -MOL_01_002384,FCCCCn1c(C)nc(c12)c(F)nc(n2)F -MOL_01_002385,c1cccc(c12)NC(O)C\2=C\C(C(=C3)CN)=C(C3=4)C=CC4 -MOL_01_002386,c1ccccc1C(C=CC2=O)=C(C2=3)C(=CC3)NCc4ccc(CN)cc4 -MOL_01_002387,c1cccnc1C(O)N(C(F)NC2)c(c23)ccc(F)c3 -MOL_01_002388,FCc1ccc(cc1OC)CC(C2=O)=CC=C(C2=3)C(=CC3)C(F)O -MOL_01_002389,n1cnc(F)c(c12)C(O)N(CCN2)c3ccc(cc3)-c4ccccc4 -MOL_01_002390,c1ccccc1N(c(c23)cccc2)C(=C(C3)C)C(O)CNC4NCNCN4 -MOL_01_002391,FCCNCn(cn1)c(O)c(c12)nc(n2)-c3cccnc3 -MOL_01_002392,CC(F)c1cnc(n12)CN(CC2)C(O)c3ccnc(c3)N(C)C -MOL_01_002393,NCc(n1)cc(O)c(c12)c(F)c3c(c2)CC(C3)C(F)(F)F -MOL_01_002394,CCC(=O)NC1CCC(CC1)CCCN(C(O)CC2)c(c23)cccc3F -MOL_01_002395,CNc1ccc(cc1)-n2c(Cc3cccn3C)nnc2NCC(O)Nc4ccc(C)cc4 -MOL_01_002396,CC(F)n1ccc(c12)c(cc(n2)F)Nc3ccc(cc3)-c4cncnc4 -MOL_01_002397,C1CCc(c12)c(O)nc(=O)n2CC(F)C(F)O -MOL_01_002398,Fc(n1)c(F)c(c12)c(O)n(cn2)CCc3ccc(F)cc3 -MOL_01_002399,n1cc(F)cn(c12)cc(n2)C(O)N3CCN(NC3)c4cccc(F)c4 -MOL_01_002400,n1cccc(c12)cccc2NC(=O)CCc3cccc(F)c3F -MOL_01_002401,Fc1ccc(cn1)-c2nc(c(n23)cccc3)CNN4CCN(F)CC4 -MOL_01_002402,CCCOc1ccnc(c1)C2(C(F)NC)C#CCN2 -MOL_01_002403,CN1C(=O)OC(C1O)Cc2c(Cl)nn(c2F)-c3ccccc3 -MOL_01_002404,c1nccnc1C(O)N(CCC2)C2(Cl)c3nccc(Cl)n3 -MOL_01_002405,c1cccc(c12)c(c(F)n2CCO)NCC(O)Nc3cccc(F)c3 -MOL_01_002406,FNC(=O)c1ccnc(c12)NCC(C2)N(CCF)CC(F)(F)F -MOL_01_002407,FNC(=O)N1CNc(c12)cc(nc2)-c3cnccc3F -MOL_01_002408,c1cccc(c12)nc(c(N)c2O)CCCCN3CCN(CC3)c(n4)ccc(c45)cccc5 -MOL_01_002409,O=C(F)CCC(O)c1cc(F)nc(c12)cccc2 -MOL_01_002410,O=C(Cl)Nc1ccc(c(F)c1)C(O)Nc2cnc(n23)CCCC3 -MOL_01_002411,c1ccccc1C(O)(O)CC(C23)N(CN2)Cc4c(N3)cccc4 -MOL_01_002412,c1cccnc1C(Cc(c23)cccc3)NC(N2)c4ccccn4 -MOL_01_002413,CNCCCc(c(F)c1)nc(c12)nc(NCF)c(n2)NCF -MOL_01_002414,CNc1ccc(cc1NC)-n2c(cnc2O)-c3ccccc3 -MOL_01_002415,FCCc1c(F)c(c(O)cc1O)C(=O)CNC(=O)CNC(=O)c2ccccc2NCF -MOL_01_002416,c1cccc(c12)n(C(F)O)cc2N(C(F)O)c3cccc(CF)c3 -MOL_01_002417,CCNCC(F)C(C)Nc1ncc(C(=O)F)c(n1)Nc(c2)cc(C)c(c23)nccc3 -MOL_01_002418,CCC(O)CNC(=O)c1ncc(cc1F)-c2cccc(F)c2 -MOL_01_002419,Fc1ccc(cc1F)NC(O)C(CCF)c(c2)cnc(c23)cccc3 -MOL_01_002420,FCc(c1)c(CF)cc(c12)ncnc2Nc3cc(F)ccn3 -MOL_01_002421,C1CCCCC1NC(=O)c(c2=O)cn(c(n23)ccc3)CCCCF -MOL_01_002422,C=1C=CC(C12)=CC(=O)C(=C2O)NCC3=CCC(CC3)c4ccccc4Cl -MOL_01_002423,c1cc(F)cc(n12)nc(F)c2C(O)NCc3ncc(C(F)(F)F)cc3F -MOL_01_002424,N1CCc(c12)ccc(c2CF)NC3NCCc(c34)cc5c(c4)NCC5 -MOL_01_002425,Fc(c1)ccc(c12)cc(cc2)-n3cc(F)cc3C(F)Nc4ccc(cc4)N5CNCCN5 -MOL_01_002426,Fc1cnc(cn1)-c2ccc(CCC(F)F)c(c2F)Nc3ncccn3 -MOL_01_002427,CNC(O)c1ccc(nc1)Nc(c2)ccc(c23)NCN(CC3)C4CCN4 -MOL_01_002428,CNC(O)CCCc(c(NF)c1)cc(c12)NNC3N(C2=O)CNC3 -MOL_01_002429,O=C(F)CN1C(=O)C(NC1F)Cc(c2)ccc(c23)cccc3 -MOL_01_002430,CCc1nccc(C(F)(F)F)c1C(=O)NC(=O)Nc2ccccn2 -MOL_01_002431,CC(C)CNC(=O)C1(C)CNCC1C(=O)c2ccc(ON)c(n2)C(F)(F)F -MOL_01_002432,FCCCN/C=C(\C(F)C)n1cnc(c12)c(F)ncn2 -MOL_01_002433,c1cncn1C(C(F)N(C)C)c(nc2)cc(c23)ccc(c3)NCc4cccc(C(F)F)c4 -MOL_01_002434,C1CNc(c12)ccc(c2)C(=O)Nc3cc(CF)ccc3CF -MOL_01_002435,CNc1cc(ccc1F)-c2cc(nc(F)n2)NC(F)c3cccc(NF)c3 -MOL_01_002436,c1ccn(c12)cnc(c2O)C(F)C(O)N3CCCOC3 -MOL_01_002437,CN(F)CCNc1nc(OCOF)cc(c12)cccn2 -MOL_01_002438,c1cccc(c1=2)=C3C(C2)=NC(\C3=O)=C/c4cccnc4 -MOL_01_002439,C1COCCC1c2ncc(n2C)NCCCN(C3)CC(C34)CC=C4c5ccccc5 -MOL_01_002440,c1cccnc1-c2nccc(n2)CN3CN(C3)c(n4)ccc(c45)cccn5 -MOL_01_002441,c1ccccc1C(=O)Cn2cnc(c2C(F)O)Nc3ccccc3F -MOL_01_002442,Cc1ccc(cc1)CCC(=O)c2cc(C(=O)CCF)c(n23)cc(cc3)CN -MOL_01_002443,CCNc(c1)cnc(c12)CCN(C2)C(O)C(C3)Cc(c34)cccc4 -MOL_01_002444,CNc(c1)ccc(c12)c(ncn2)Nc3ncc(F)cc3F -MOL_01_002445,c1ccccc1N(CC2O)C(CO)c(c23)cccc3 -MOL_01_002446,C1CCCN1C(F)(O)c2cn(C)c(c2)C(O)NCc3ccc(F)cc3 -MOL_01_002447,CNc1ccccc1NC(O)Cn2c(O)nc(c23)cccc3 -MOL_01_002448,C1CN1C(=O)N2COc(c23)cc(nc3)C(O)C(F)F -MOL_01_002449,N1CNc(c12)ccc(c2)C(Nc(c34)c(F)ncn3)CC(N4)c5ccc(N)cc5 -MOL_01_002450,CCCC(O)CCCn1c(O)cc(c12)cc3c(c2)c(ncn3)Cc4ccccn4 -MOL_01_002451,CC(F)(C)c(c1)ccc(c12)CCC(O)N2CC(O)N3CCCC3 -MOL_01_002452,C1CCNCN1c2cc(CNC)nc(n2)NCc3ccc(F)cc3F -MOL_01_002453,OC(F)c(n1C)cc(c12)ccc(c2)-c3ccc(cc3)CCC(F)O -MOL_01_002454,n1ccc(Cl)c(c12)nc3c(c2C(=O)F)ccnc3F -MOL_01_002455,CNc1ccc(cc1)-c(c2O)nc(C(F)O)c(c23)ccnc3 -MOL_01_002456,CN1CCN(CC1)C(O)c2nc(O)n(c2O)-c3cccc(Cl)c3 -MOL_01_002457,FNc1cc(C(F)(F)F)cc(c12)c(F)nc(c2)C3CCN(CN3)CNCCNCF -MOL_01_002458,Nc1ccccc1C(O)NNCc2cn(C(F)O)c(c23)cccc3 -MOL_01_002459,c1ccccc1C(F)NNC(F)CNc2nnc(CNc3nc(C)cc(F)n3)n2-c4ccccc4 -MOL_01_002460,FNc1c(NF)cc(cc1N)C(F)c(c2)ccc(c23)n(C)cc3CF -MOL_01_002461,CCN(CC)CCCc1cc(ccc1CC)C(C=2)=CC(C23)=C(C)C(=O)N(C3=O)C -MOL_01_002462,Nc1cc(ccn1)CC(CC2)C=Cc(c23)c4c(nc3)cccc4 -MOL_01_002463,FCCCN(C)C(O)Cc1cc(O)nc(c12)cc(cc2)NCc3cccc(F)c3 -MOL_01_002464,Fc(n1)ncn(c12)cc(c2)-c3ccc(cn3)NCNNN4CCN=NC4 -MOL_01_002465,OCN1CCc(c12)cc(cc2)-c3cccc(c3)NC(O)C4C=CCC=N4 -MOL_01_002466,Oc1nccc(F)c1N(C2)CCc(c23)nc(F)nc3 -MOL_01_002467,c1cccc(c12)CCC(O)N2CCNCN(C3)CCc(c34)ccnc4 -MOL_01_002468,CCNCCN1C(=O)C(=NC\1=C(\C)C(=O)F)Cc2ccccc2NC(F)F -MOL_01_002469,C1CCNC1C(O)N(CC2)CCc(n23)ncc3Cn4cccc4 -MOL_01_002470,C\1=C\CCOCc(c12)c(O)c(c(n2)F)NCCc3ccccc3 -MOL_01_002471,OC(F)CCCCCn1c(F)nc(c12)c(F)nc(n2)F -MOL_01_002472,CNC(O)C1=C(F)N(CCO)C(=O)C1Cc2ccccc2 -MOL_01_002473,NNc1c(CN)cc(cc1NC)NCC2=NCN(CC2)C3c(cccc4)c4c(c35)cccc5 -MOL_01_002474,FC(F)CN(C)c1ncc(F)c(n1)N2CCC(C2)Nc3ccc(cc3)C(F)NC(F)F -MOL_01_002475,NC1(F)N(C)C(O)N(C1)c2ccc(nc2)NCc3cccc(F)c3 -MOL_01_002476,FCCNCCc(c1O)c(c2c(c13)cccc3)c4c(C2O)cccc4 -MOL_01_002477,c1ccccc1-c2cccc(c2)CNCCn(c34)oc(c3)c5c(n4)cccc5 -MOL_01_002478,CCc1c(O)n(C)c(=O)c(c12)cc(F)c(c2)N3CCCC3 -MOL_01_002479,OC(F)c1ccc(cc1)CC(=O)NC(F)(F)c2cc(F)ccc2N3CNCCN3 -MOL_01_002480,Fc1ccc(cc1C)CNC(O)c2nc(C)cc(c2)-c3ncn(n3)CC4CCC(C(F)O)CC4 -MOL_01_002481,CNc1nc(F)ccc1CNC(O)NC(C)Cc2c(F)cn(C)c2C -MOL_01_002482,NCNC(O)CCc(c1O)nc(c(c12)cccc2)-c3ccc(N)cc3 -MOL_01_002483,CCC(=O)Cc1ccc(cc1)C(N2)Cc(cc(cc3)NC)c3c(c24)cccc4 -MOL_01_002484,Oc1cc(O)c(C(F)(F)F)cc1CCCCF -MOL_01_002485,OC(/C=1)NCC(O)C(=C2)c(c3C1/2)cc4c(c3)CNC4 -MOL_01_002486,FC(F)c1cc(ccc1)NC(O)c2cccc(c2)N(C3)Cc(c34)cnc5n4ccc5 -MOL_01_002487,CNc(c1)ccc(c12)c3c(n2C)c(CNC(F)F)c(NC)c(c3)CO -MOL_01_002488,CCCCn(c1=O)c(O)nc(c12)cc(cc2)C(=O)C(CC)CC -MOL_01_002489,CNc1ccc(c(NC)c1CN)C(NF)c(c2)cnc(c23)cncc3 -MOL_01_002490,FNc1cc(C(F)(F)F)cc(n1)-c2ncn(n2)CCC(F)NC(F)F -MOL_01_002491,FNc(cn1)cc(c12)CCC(O)C2Cc3ccc(F)c(NF)c3 -MOL_01_002492,Fc1ccc(cc1)C2(NCN(C)CN2)NCCc3cc(C(F)(F)F)cc(n3)N4CCNC4 -MOL_01_002493,FNC(O)Cn1cnc(c1)-c2ccccc2F -MOL_01_002494,Fc1cnc(cc1)-c2ccc(F)c(c2)C(O)NCC3(F)CCNCOC3 -MOL_01_002495,Fc1ccccc1C2NNC(N2)c3ccc(cn3)Nc(n4)ccc(c45)ccnc5 -MOL_01_002496,FCCNc(n1)nc(F)c(c12)nc(F)n2Cc3ccccc3 -MOL_01_002497,c1ccncc1CNC(O)NC(C(F)(F)N2)Nc(c23)cc4c(c3)nc(F)cc4 -MOL_01_002498,c1ccccc1CCC(=O)N2CCN(CC2)c3cccnc3C(F)O -MOL_01_002499,c1cccc(c12)N=CCN2N(CNCNC)NC(N=3)C=c(c34)cccc4 -MOL_01_002500,CC(F)C(=O)c1cc(F)c(cn1)N2CCC(CC2)C(=O)c3ccc(F)cc3 -MOL_01_002501,c1cccc(c12)[nH]c3c2ccc(c3)C(O)C(=CC4)CNC45C6NC7CC(N6)NC5N7 -MOL_01_002502,CCc1ccc(cc1)C(O)C(CC2)CCC23c4c(NC3O)cccc4 -MOL_01_002503,CCc1cccc(c12)n(cc2)CC(=O)N3CCCC(C(=O)F)C3 -MOL_01_002504,CNc1ccc(cc1NC)-c2cncc(C)c2Nc3cccc(c3)NCc4ccccn4 -MOL_01_002505,Cc1ccc(cc1)C(O)CN(C=2N)CC(C23)=Cc4c3cccc4 -MOL_01_002506,Fc1ccc(cc1)NCNc2nc(F)nc(c23)nccc3 -MOL_01_002507,C1NC1C(CF)NCc2nc(ccc2F)-c3cnc(C(F)(F)F)cn3 -MOL_01_002508,OCCN1C(O)NC(C1=O)Cc2cc(F)cc(F)c2 -MOL_01_002509,c1ccccc1NC(C(F)F)NC(=O)c2ccccc2NC(O)c3ccnc(c34)cccc4 -MOL_01_002510,CN(F)Cc1ncc(F)n1-c2ccccc2C(O)c3ccccc3F -MOL_01_002511,Cc1ncc(C(F)F)n1C(C(F)O)Cc2ccc(N(F)C)nc2 -MOL_01_002512,n1cccc(c12)NCN(C2)C(=O)c3ccc(cc3)NN(N4)NCc(c45)cncc5 -MOL_01_002513,CCc1c(CC)c(CN)cc(c12)NC(O)NC2c3ccc(F)c(C)c3 -MOL_01_002514,c1cnncc1C(C(F)O)c2ncc(C(F)(F)F)cc2F -MOL_01_002515,c1cc(F)cc(c12)N(C(O)CC(N2)O)c3ccccn3 -MOL_01_002516,FCCC(O)Cn1c(=O)nc(F)c(c12)cccc2F -MOL_01_002517,FC(F)C1NCN(CC1)c2nc(NC)nc(c2)NCCc3ccc(F)cc3F -MOL_01_002518,c1ccccc1C(NC2)CNc(c23)cccc3C4N=CCCN4 -MOL_01_002519,CCc1cc(NN)cc(c1)NC2C(=CCC2N)Cc(cc3NC)cc(c34)CCN4 -MOL_01_002520,CCC(CC)C(=O)CNC1=C(C(O)c(c12)cccc2)c3ccccc3 -MOL_01_002521,c1cccc(c12)NCC(O)N(C2=O)CC(=O)c(c3)ccc(c34)NC4 -MOL_01_002522,FC(F)N(C1)CNC12C(=O)N(CCC2)Cc3ccc(F)cn3 -MOL_01_002523,c1nccc(c12)c(ccc2N(F)C)/C=C3/C(O)=Nc(c34)cccc4 -MOL_01_002524,FCc1ccc(cc1)N(C)c2nc(F)ccc2C(=O)CN -MOL_01_002525,OC(N=1)=C(F)C(=O)C(C12)=NC=C2Cc3ccccc3 -MOL_01_002526,Fc1ccccc1NC(=O)Cc2n(C)c(cc2)NCC(O)NC3NCCN3 -MOL_01_002527,CCc1ccc(cc1)CC2=CN=C(C2=3)N=C(N3)c4cccc(c4)N(C)C -MOL_01_002528,OC(F)CCC(C=O)NC(=O)c1ccc(cc1)N(C)Cc(c2)ccc(c23)nc(F)nc3F -MOL_01_002529,CCc1c(NC)cc(cc1OC)NCc(c2)ccc(c23)n(CC)c4c3cncc4 -MOL_01_002530,CC(C)Cc1cc(ncn1)N2CC(C2)Nc3ccc(cc3)C(C)NC(C)O -MOL_01_002531,CNc1ccc(nc1)NC(O)Cc(c2F)c(F)nc(c23)cccc3 -MOL_01_002532,CNC(O)c1cccc(c1)Nc2nccc(n2)N3CC(C3)Cc4ccc(F)cc4F -MOL_01_002533,CCc1c(NC)cc(cc1CC)Cc(c2O)cnc(n23)c(C(F)F)nc3 -MOL_01_002534,CCNC(F)Nc(c1)ccc(c12)ccc(n2)-c3ccc(O)c(CF)c3 -MOL_01_002535,NCc1cccc(c1)Nc2nc(F)cc(n2)N(C3)Cc(c34)cccn4 -MOL_01_002536,Oc1cccnc1-c2nc(ccc2F)N3CCC(F)CC3 -MOL_01_002537,Fc1ccncc1NC(=O)Nc(cc(c23)ncnc3)c(c2)CCc4ccc(F)nc4 -MOL_01_002538,c1ccccc1CNC(O)c2cc(nc(F)n2)-c3ccccc3F -MOL_01_002539,Fc1ncc(nc1F)Cn(cn2)c(=O)c(c23)cc(nc3)NC(F)O -MOL_01_002540,FCc1cccc(c1)CC(F)c2cccc(c2)NC(=O)c3c(CN)cccc3NF -MOL_01_002541,C1CNCCC1N2C(O)CNC(c(c23)cc(F)cc3)c4ccccc4 -MOL_01_002542,CN(F)c1cccc(c1)-n2c(NC3CCCC3)cnc2CNc4ccccc4 -MOL_01_002543,FC(F)c1cnc(cc1)Cc2nc(C(F)O)c(cc2)NC(O)c3ccc(F)cc3F -MOL_01_002544,C1CCOCC1N(C)c2cc(F)nc(n2)NC(F)c3ccccc3 -MOL_01_002545,C1CC1CCNC(O)c2ccc(nc2)N3CCN(CC3)C(O)c4ccc(F)cc4C(F)(F)F -MOL_01_002546,O=C1COC(C(=O)N1)N(C2=O)C(=O)c3cccc(c3c24)cc(F)c4 -MOL_01_002547,CNc1ccccc1C2CN(CN2)C(O)c3ncccc3NC(F)F -MOL_01_002548,CNc1cccc(c1)C(F)(F)n2ccc(c23)cc4c(c3)NCN=CC4 -MOL_01_002549,FCn1c(F)c(c(n1)F)CN2CCC(=NC2)C(O)Nc3cccc(c3)-c4cccc(F)c4 -MOL_01_002550,Oc(c1)ccc(n12)nc3c2c(nc(n3)F)CCCc4ccccc4 -MOL_01_002551,O=C1CCC(NN1)c2cn(Cc3ccccc3)c(n2)-c4ccccc4 -MOL_01_002552,FC(F)CN(C1)C(=O)c(c12)ncc(c2)NCc3ccc(C(F)F)cc3 -MOL_01_002553,CCCc1cc(F)nc(n12)nnc2NCC(F)NCc3ccc(C)cc3 -MOL_01_002554,c1cnc(c12)c(C(C)C)c(O)n(C)c2O -MOL_01_002555,NC(F)c1cncnc1N/C=C(/C(O)N2)c(c23)cccc3 -MOL_01_002556,OCCN1CCC(C12)c3c(NN2)c(NF)ccc3 -MOL_01_002557,CC(F)(F)c1ccc(cc1)C(O)Nc2ccc(F)cc2C(=O)Nc3ccc(F)cn3 -MOL_01_002558,Fc1cc(C(F)(F)F)cnc1NC(=O)CNC(O)c2ccnc(c23)cccn3 -MOL_01_002559,FCc1ccc(cc1)NCC(C=2)=NC(C23)=C(N=N3)c4ccccc4F -MOL_01_002560,NCCNc1nc(F)c(CN)c(c1CN)-c2cccc(c2)NC(F)(F)F -MOL_01_002561,CCc1c(C)cc(cc1C)C2(N=C(C)C(F)N2)c3cccc(c3)-c4cncnc4 -MOL_01_002562,c1cccnc1N(C)C(=O)Cn2cc(NN)c(c23)cccn3 -MOL_01_002563,c1cccc(c12)nc(F)c(CO)c2NCCCN3CCCC3O -MOL_01_002564,CCCc1cc(F)nc(n1)NCC(=O)c2cc(C)n(c2C)C3CC3 -MOL_01_002565,Oc1cnc2NC(Nc(c2c13)ccc3)CN4CCN(CC4)Cc5ccccc5 -MOL_01_002566,Fc1ccc(cc1)C(C=2)=CC(C23)=CC(=C(C3=O)C)NCc4ccc(cc4)NC(C)O -MOL_01_002567,c1cccc(c12)nc(O)c(c2F)C(O)CNc3ccc(F)cc3 -MOL_01_002568,CCc1ccc(cc1)CNC(N=2)=NC(C23)=C(C=N3)c4cccc(c4)C(=O)N(C)C -MOL_01_002569,CCCCC(=O)CCCc1ccc(c(c1)C(C)O)N2CCCCC2 -MOL_01_002570,O=C(F)c(n1C)cc(c12)nc(cc2)Nc3cccc(F)c3 -MOL_01_002571,CCc1ncccc1C(O)N2CCCC(C2)n3ccnc3C -MOL_01_002572,FC(F)C(=O)CN1C(=O)C(NC1O)Cc2cccc(c23)cccc3 -MOL_01_002573,FCc1cncc(c1)C(N2)CC(=Nc(c23)ccnc3)c4ccc(F)cc4 -MOL_01_002574,c1nccnc1C(=O)C(C)CC(=O)Nc2ccc(F)c(C(F)(F)F)c2 -MOL_01_002575,CN(C)c1ccc(nc1)C(O)N2CCCC2Cn3cc(F)cc3F -MOL_01_002576,CN(C)c1cc(F)nc(n1)C2(F)COCN2CC(F)O -MOL_01_002577,NCNNc1ccc(cc1)Cc2cc(c(F)cc2O)CNCNC(C3F)C(=O)c(c34)cccc4 -MOL_01_002578,C1CCCN1C(=O)C2CCCN2C(=O)c3ccncn3 -MOL_01_002579,OCNC1(C=N)CC=C(C1=2)c3c(C2)cccc3 -MOL_01_002580,C=1C=NC(C12)=CC(=C2CO)C(O)C(C3)CCc(c34)cccc4 -MOL_01_002581,CN1CCC(CC1)N(C)C(NF)c2ccc(F)nc2Nc3cccc(F)c3 -MOL_01_002582,CNC(O)c1ccc(cc1)CN(CCC)CC(F)(Cn2cncn2)c3ccc(F)cc3F -MOL_01_002583,CC(F)c1ccc(cc1)NC(O)c2cc(ccn2)N(C3)Cc(c34)cnc(n4)F -MOL_01_002584,CCCCNC(O)CN(C(O)CC(C)(C)C1(F)F)c(c12)cccc2 -MOL_01_002585,c1nccc(c12)cccc2C(N)CNC(CCc3ccc(cc3)CC)Cc4cccnc4CN -MOL_01_002586,OCc1ccccc1NC(=O)C2C(N2)c(c3)ccc(c34)cccc4 -MOL_01_002587,c1cccc(c12)cn(c2)-c3nc(NCCC(F)O)nc(c3)N4CCN(CC4)c5ccc(F)cc5 -MOL_01_002588,CNc1cc(C(F)F)c(cc1F)Nc2cnc(nc2F)NC(=O)c3ccccn3 -MOL_01_002589,Fc1ncc(cc1)C(F)(F)C2(CC2)C(O)Nc3ccc(F)c(C(F)(F)F)c3 -MOL_01_002590,OC(F)CC1CCC(CC1)c2ccc(cc2)-c3cnc(F)c(n3)C(F)O -MOL_01_002591,c1ccncc1C(=O)N(C(F)(C(C)C)C(O)NCCO)Cc2ccncc2 -MOL_01_002592,CCc1cc(NC)ccc1C(F)Cc(c2C)cnc(c23)cc(N)cc3N -MOL_01_002593,O=c1n(C)c(=O)cc(n1C)NCNCN2CCN(CN2)c3ccccc3NN -MOL_01_002594,c1ccc(F)c(n12)nc(NCCF)c(c2=O)CNCc3ccccc3 -MOL_01_002595,Fc(c1)ccc(c12)C(C)C(=O)c3c(C2NC)ccc(c3)NCc4ccccc4 -MOL_01_002596,N1CN(N)CNC12c3c(cccc3)N(C2)c4ccccc4 -MOL_01_002597,NCc1ccc(cc1NCF)NC(F)NC(C2)CNc(c23)cc4c(c3)N=CCNC4 -MOL_01_002598,Nc1cncc(c1)C(O)N2CCNc(c23)nc(N)cc3 -MOL_01_002599,NCc1ccc(cc1F)-n2nc(F)c(c2F)Nc3ccc(F)cn3 -MOL_01_002600,FC(N)c1c(F)nc(F)c(c12)CC(CC2)c3ccncc3 -MOL_01_002601,c1ccccc1-c2ccc(cc2)C(O)c3ccc(NN)cc3 -MOL_01_002602,n1cccc(c12)c3c(nc2F)ccc(n3)N4CCNCC4 -MOL_01_002603,C1=CC=CC(N12)=CCCC2NC(O)c3cccnc3NCc4ccncc4 -MOL_01_002604,CNc(c1)c(NC)cc(c12)c(cn(c2=O)CF)C(O)NNCNCF -MOL_01_002605,COc1ccccc1-c(n2)nc(c(c23)cccc3)CCc4cccnc4 -MOL_01_002606,CNC1CCN(CC1)c2nc(CC)c(c(n2)NC)NC(=O)CCC3CC#CC3 -MOL_01_002607,CN(N)C(N1)CNc(c12)c(cnc2)-c3cccc(c34)nccc4 -MOL_01_002608,FNc1c(CF)cc(cc1NC)C2=CNCc(c23)c(F)c(NF)cc3 -MOL_01_002609,c1cccc(n12)c(cc2C(Cl)O)C(O)Nc3cccc(F)n3 -MOL_01_002610,Cn1ncc(c12)c(O)nc(n2)CN(C)C(F)c3ccc(F)cc3F -MOL_01_002611,CCN(CC)C(F)c(c1)ccc(c12)NCC(=O)N2CC(O)N3CCC(C(F)F)CC3 -MOL_01_002612,CN(C1)CNc2ccnc(OCO3)c2C13 -MOL_01_002613,C1CCNC1Nc2cc(ccc2NF)C(c3ccccn3)Cc4ccncc4 -MOL_01_002614,CNc1ccnc(c1)NC(=O)N2CCN(CC2)c(n3)ccc(c34)cccc4 -MOL_01_002615,FC(F)C(=O)C1CCN(CC1)C(F)C2NCC(CN2)Cn(c3=O)c(F)nc(c34)cccc4 -MOL_01_002616,Fc1ccc(nc1)NC(F)c2cc(cn(c23)c(F)cn3)Cc4cncc(F)c4 -MOL_01_002617,NCC(=O)CNc(c1)ccc(c12)N(C(C2)O)Cc3ccc(CN)cc3 -MOL_01_002618,FCC(=O)CNc(c1)cnc(c12)nc(O)c(c2)C(=O)Cc3cncc(F)c3 -MOL_01_002619,c1ccnc(c12)C(=O)N(C2O)CCNc3ccc(F)cc3 -MOL_01_002620,NCc1cc(NN)cc(c1)C(C=2)=CC(=O)C(C23)=CC=C3c4ccccc4 -MOL_01_002621,COc1cc(F)c(cc1F)C2CC(=O)CC(O2)c3ccc(F)cn3 -MOL_01_002622,c1cccc(c12)ncc(c2O)C(O)Nc(c3)cnc(c34)NCCN4 -MOL_01_002623,Fc1ccccc1-c2cc(-c3ccccn3)nc(n2)-c4cnccc4F -MOL_01_002624,CNc1ccc(cn1)Nc(n2)ncc(c23)CNc4c3cccc4 -MOL_01_002625,Fc1ccccc1C(O)NN2C(=O)/C(NC2=O)=C/c3ccccc3CCC(F)F -MOL_01_002626,FCCCC(CC)CNC(O)OCCn(c1O)c(O)nc(c12)ccn2 -MOL_01_002627,Cc1cc(F)c(F)c(c12)nc(O)cc2CN3CC(F)NC(F)C3 -MOL_01_002628,C1CNc(c12)ccc(c2)CNC(O)C(F)Cc3ccc(F)cc3F -MOL_01_002629,NC(N)c(c(C)c1)cc(c12)C(O)N(N2)C3CC=CCN3 -MOL_01_002630,CNc(c1)ccc(c12)c(cc(n2)O)CCC(O)c3ccncc3 -MOL_01_002631,CNc1ccc(cc1C)CCCc2ncc(n2C)NCc(n3)nc(F)c(c34)cccc4 -MOL_01_002632,Cn1cc(F)c(n1)CN(NC2)Cc(n23)cc(n3)C(F)N4CCNC4 -MOL_01_002633,CC(O)c(c1)ccc(c12)n(C)c(n2)CN3CCN(C(C)O)CC3 -MOL_01_002634,C=C1C=C(C=N1)Nc2cc(N3CCCCC3)c(F)c(n2)NC(C)c4ccc(F)cc4 -MOL_01_002635,CCc1ccc(cc1)-c2cnn(c2)C(O)c3cc(CN)c(CN)c(c3)OC -MOL_01_002636,Nc1ccccc1-c2nnc(n2CCO)NCC(=O)NC(F)(F)F -MOL_01_002637,Fc1ccnc(c1)-c2ccn(n2)CN3CCC(CC3)Cc4cccnc4 -MOL_01_002638,Fc(c1)c(F)cc(c12)ncc(n2)N3CCN(CN3)c4ccnc(n4)N(F)F -MOL_01_002639,Fc1ncc(cc1)NC(=O)NCC2CC(F)(F)Oc(c23)ccc(F)c3 -MOL_01_002640,NCc1cc(CF)ccc1Nc(c(CF)c2)nc(c23)cc(F)cc3 -MOL_01_002641,CN1CCN(CNC1)c2c(CNC(O)C(F)(F)F)c(F)cn2C -MOL_01_002642,CCc1ccc(cn1)-c(c2)cnc(c23)nc(F)nc3C -MOL_01_002643,Cn1ccc(c1C(F)F)C(=O)CNC2CN(C(=O)N2)c3ccccc3 -MOL_01_002644,Fc1ccncc1-n2nc(ccc2=O)Nc3ccccc3CF -MOL_01_002645,CNc1ccccc1-c2ncc(NCC(F)NC(F)F)n2Cc3ccccc3 -MOL_01_002646,Cc1cccc(c12)CNN2C(N)(O)C3CN3 -MOL_01_002647,OC(N1)CNc(c12)ccc(n2)NCCNCN3CCN(CC3)c4cccc(F)c4C(F)(F)F -MOL_01_002648,FCc1ccc(cc1)-n2cnc(c23)c(F)ncn3 -MOL_01_002649,Oc1cccnc1-c2cc(ncc2F)N3CCN(C(F)(F)F)CC3 -MOL_01_002650,FCc1ccc(cc1NF)C2=NCC(C2)CNc3ccc(F)c(c34)cccn4 -MOL_01_002651,n1cncc(c12)CCCC2N(Cc3ccncn3)C4CCNN(C)CC4 -MOL_01_002652,O=C1N=C(CF)N=C(C1=2)N=CC2c3ccc(F)cc3 -MOL_01_002653,C1COCN1C(F)C(=O)Nc2nnc(c23)ncn(Cl)c3 -MOL_01_002654,c1cccc(c12)nc(F)c(C=O)c2NCc3cccnc3 -MOL_01_002655,c1ccccc1C(O)c(c2F)cnc(c23)cc4c(c3)OCCO4 -MOL_01_002656,C1=NCNC1c(c2)ccc(c23)C(O)c4c3c(O)c5c(c4)cccc5 -MOL_01_002657,NCNC(F)(F)c1cccc(c1)-c2cccc(c2)-c(c3)ccc(c34)C(C(C)O)NCN4 -MOL_01_002658,OC(F)CNC(O)c1c(O)nc(F)c(c12)ccc(c2)-c3ccccc3 -MOL_01_002659,CNc1ccc(cc1)-c2c(F)cn(c23)c(C(F)(F)F)nc(n3)F -MOL_01_002660,c1nccnc1C(=O)NC(c2ccccc2)c(c3F)cc(F)c(c34)nccn4 -MOL_01_002661,Cc(c1)cc(O)c(c12)c(O)c3c(n2)OC(N)(N)NC3 -MOL_01_002662,FCC1CC(CC1)c2cc(C(F)F)c(O)cc2O -MOL_01_002663,n1ccc(F)c(c12)C(O)c3c(C2O)cc(Cl)cn3 -MOL_01_002664,c1ccccc1C2=C(O)C(O)=C2Nc3cc(NCF)ccc3CCF -MOL_01_002665,CN(F)c(c1)ccc(c12)ncc(c2F)C(=O)NC3CCCCC3 -MOL_01_002666,Fc(c1)ccc(c12)CN(C2)C(=O)Nc3ccc(cc3)C(O)N(CN4)C45CCCNC5 -MOL_01_002667,CN(C)C(F)(F)NC(O)c1nc(F)c(cc1F)CCCNC2CCCNC2 -MOL_01_002668,FCC1NC(C=C1F)n2cnc(c23)c(F)ccn3 -MOL_01_002669,c1cccc(c12)nc(O)c(F)c2NCCc3ccncn3 -MOL_01_002670,FC(F)NNc1ccc(cn1)C2=NC(NC2)NC(F)c3cncc(c34)cccc4 -MOL_01_002671,CNC(=O)c(n1C)cc(c12)c3n(cc2)cc(n3)Cl -MOL_01_002672,C1=CC(=O)C(N12)NCN3C2NCc4c3ccc(c4)C=O -MOL_01_002673,Fc1cc(ccc1)NC(=O)C2=C(F)C(O)N(C2O)c3cccc(F)c3 -MOL_01_002674,c1cccnc1CC2C(=O)N(C(F)C2)c3ccccn3 -MOL_01_002675,c1cccc(c12)cccc2Cc3nc(nc(F)c3NC)NCC(O)c4ccc(F)cc4 -MOL_01_002676,O=C(F)CCCN(CCC=O)CCn1cnc(c12)c(O)nc(n2)F -MOL_01_002677,Fc1ccccc1-c2c(CN)c(F)nc(c2)-c3cccnc3 -MOL_01_002678,Oc1cccc(c1)C(N=2)=CC(C23)=c4c(=N3)cccc4 -MOL_01_002679,C1=NCCN=C1N2CCN(C=C2CCF)Cc3cnc(nc3)-c4cccc(c45)cncc5 -MOL_01_002680,Fc1ncc(cc1)C(F)c2cnc(NF)n2Cc3ccncc3 -MOL_01_002681,FCNNc1cccc(c12)nc(F)n2Cc3ccc(F)c(F)c3 -MOL_01_002682,c1ccccc1-c2ncc(cc2O)-c3ccc(cc3)OCCCN4CCCCNC4 -MOL_01_002683,c1ccccc1NC(O)Nc2cccc(c2)C(N3)CCNc(c34)ncnc4F -MOL_01_002684,c1ccc(F)c(c12)nc3c(c2N)NCCC3 -MOL_01_002685,c1cc(F)cc(c12)C(=NC(F)(C(N2)O)CCC)c3ccccc3 -MOL_01_002686,CCCC(=O)C1CNCN(C1)C2=C(O)C(O)=C2Nc3ccc(cc3)CCC -MOL_01_002687,CCCc1cc(F)nc(n12)ncc2NCC(O)NC3CCCC3 -MOL_01_002688,CNc1cccc(c12)cc(c(n2)F)C(O)N3CCN(CC3)C(F)c4ccccc4 -MOL_01_002689,NCc1c(=O)n(C)cc(c1)-c2ccnc(n2)C(F)(F)F -MOL_01_002690,Fc1cnc(cc1F)N(CCNC2)C23CCCCN3 -MOL_01_002691,CCc1ccc(cc1)C(N=2)=CC(C23)=C(C)C(=C3)C(=O)NC(C)(C)N -MOL_01_002692,CCC(O)c1ccccc1C(F)NC(=O)c2cccc(c23)NCCC3 -MOL_01_002693,Oc1ccc(nc1C)C(O)N(CC(F)(F)F)c2cccc(F)n2 -MOL_01_002694,Cc(n1)nc(N)c(c12)cc(cc2)CNC(F)NCc3ccccc3 -MOL_01_002695,FC(F)CC(F)C(=O)NC(C(=O)CC)Cc1ccccc1 -MOL_01_002696,Cn1c(F)nc(c12)ccc(c2)-n3ccc(cc3=O)CCc4ncc(F)cn4 -MOL_01_002697,O=c1c(F)cnc(n12)NCC(C2)C(=O)NCc3ccccc3F -MOL_01_002698,c1nccnc1C(O)Nc2cc(ccc2CCC)C3C=CN(CC3)Cc4ccc(F)cc4 -MOL_01_002699,c1nccnc1-c2nc(O)c(F)c(n2)C(O)NC(F)c3ccccc3 -MOL_01_002700,Cc1nc(C)c(C(F)O)nc1-c2ccc(cc2)-c3ccc(C(C)C(=O)F)cc3F -MOL_01_002701,Oc1nccc(c12)cc(cc2)CCC3CCCNC3 -MOL_01_002702,OCCNc1ccc(F)c(F)c1C2CCCCCC2O -MOL_01_002703,COc1ccc(C)cc1C(O)(O)Nc(c2)cc(c3c24)CCCC3C(=O)CC4 -MOL_01_002704,FCCNC1C(O)=CCc(c12)cc(cc2)NC3CCN(CC3)c4ccc(F)cc4 -MOL_01_002705,Cc1ccccc1N2C(O)N/C(C2O)=C\c3ccc(F)c(c3)NCF -MOL_01_002706,O=C1CC(=O)NC(C1)c2cccc(NCF)c2NCF -MOL_01_002707,OC(N1)CN(C12)Cc3c(C2)ccc(c3)NCCn4ccnc4 -MOL_01_002708,C=C(F)C(CC)Cc1c(NC)ccc(c12)ccc(n2)O -MOL_01_002709,OC(F)C1CCC(CC1)Cn2nc(cn2)-c3cc(C)nc(c3)C(O)CCc4cncc(n4)CN -MOL_01_002710,Fc(c1)ccc(c12)c(cc(n2)O)C(O)Nc3cc(F)cc(F)n3 -MOL_01_002711,CNc1cc(C)c(cc1F)CN(CC2)CCC23C(C(=O)F)CC(=O)N3C -MOL_01_002712,CNc1ccc(cc1)-c2nc(nc(F)c2CF)NCCN3CCCCN3 -MOL_01_002713,FCCCCCCN(CCC)CCn1cnc(c12)c(O)nc(n2)F -MOL_01_002714,c1ccccc1CC(NC(O)CC(C)C)/C(F)=C(\NN)c2c(F)c(F)c(F)c(F)c2F -MOL_01_002715,Fc(c1)ccc(c12)n(cc2CO)-c3ccc(C(F)O)c(F)c3 -MOL_01_002716,Cc1ncc(cc1C(C)C)Cn(cc(c23)ccnc3)c2Cc4ccncc4 -MOL_01_002717,C1CCC(N)NC1(C)c2cccc(c2)NC(=O)c3ccc(F)cc3F -MOL_01_002718,CNC(O)CCc(c1)cnc(c12)CC(NC2)C(=O)NC(F)(F)Cl -MOL_01_002719,FCc1cncc(c12)C(CC2=O)Cc3ccc(F)c(NF)c3 -MOL_01_002720,CN(C)C(O)NC1c(cccc2)c2Nc(c13)ncnc3 -MOL_01_002721,C1CCC1C(=O)n2nc(O)c(c2F)-c3ccc(F)c(F)c3 -MOL_01_002722,c1ccccc1C2CC2NC(=O)N(CC3)CCC34CCc5c(N4)cccn5 -MOL_01_002723,Cc1ccccc1NC(=O)NCC(C(O2)O)c(c23)cccc3F -MOL_01_002724,O=C(C)C1NCNc(c12)cc(cc2)-c3cccc(c3)CCC4CCNCC4 -MOL_01_002725,FOC(F)(F)n1ccnc1C(c2ccccn2)N3COCOC3 -MOL_01_002726,Fc1ccccc1C(O)N(Nc2cccnc2)Cc(c(F)n3)cc(c34)cccc4F -MOL_01_002727,FCn(c(F)n1)c(c12)ccc(c2)C(O)NCOc3ccccc3 -MOL_01_002728,OC(F)c1cc(C(F)F)cc(c1)C(O)c(c(F)c2)cc(c23)C(F)(F)CNC3(F)F -MOL_01_002729,O=CCC(CC)(C1O)Cc(cccc2)c2n(c13)ccc3 -MOL_01_002730,CCc1ccc(cc1)CNC(O)C(N=2)=CC(C23)=C(C=C3)c4ccccc4 -MOL_01_002731,CNc1nc(F)ccc1C(F)n2cnc(c23)cccc3 -MOL_01_002732,Oc1c(F)c(F)nc(F)c1-c2ccc(nc2)-c3ccc(C(F)F)cc3 -MOL_01_002733,NCc(c1)ccc(c12)nccc2-c3ccc(C(O)NF)nc3 -MOL_01_002734,c1cccc(C(=O)N2)c1NC23CCN(CN3)Cc4ccccc4 -MOL_01_002735,Fc1cc(ccc1)N2C(O)/C(C(O)CC2=O)=C/Cc3ccccc3 -MOL_01_002736,FCc(c12)cc(cc1CF)C(O)CN(N2F)C(O)c3ccncc3 -MOL_01_002737,CN(F)c1ccc(F)cc1C(F)NCC(=O)N2CC(=O)Nc(c23)cccc3 -MOL_01_002738,FCc1c(F)cc(Cl)nc1NCc(n2)cn(c23)c(F)ccc3 -MOL_01_002739,CNc1cnc(cc1CF)CNc(n2)cn(c23)c(F)c(F)c(n3)F -MOL_01_002740,CCc1cc(CF)cc(c1)C(C2F)Nc(c23)c(CN)cc(c3)CCN -MOL_01_002741,Nc1ccc(CN)cc1C(O)(O)C2CC=C(CC2)C(N)Nc3ccccc3 -MOL_01_002742,c1cccc(c12)ccc(n2)C3=CC(=O)C(=N3)CNc4ccccc4F -MOL_01_002743,CNc(n1)nc(F)c(c12)c3c(CC2)cncc3 -MOL_01_002744,c1cc(F)cc(c12)c(O)c3c(n2)cc(F)c(c3F)-c4c(F)cnc(c45)cncc5 -MOL_01_002745,O=C1C(C)=CC=C(C1=2)N=C(C2)c3ccc(O)cc3 -MOL_01_002746,CCCCn1c(F)c(c(O)nc1=O)CNc2cc(F)c(F)cc2F -MOL_01_002747,Clc(c1)ccc(c12)nc(cc2)-c(n3)ccc(c34)NCO4 -MOL_01_002748,FNC(=O)CCc1cccc(c1)-c2nc(F)c(F)n2CCN3CCNCC3 -MOL_01_002749,Fc1ncc(cc1)C(O)(O)N2CCCC2c3ccc(F)cn3 -MOL_01_002750,NC(F)c1cc(ccc1)-n2nncc2CNc3ccc(cc3)-c4ccccc4C(F)(F)N -MOL_01_002751,NC(=O)c1ccc(cc1NC)-c(c2)ccc(c23)C(O)Cc4c(C3)cccc4 -MOL_01_002752,Cc1ccc(cc1)CN2C(=O)C(N)Nc(c23)cccc3N4CNC(NC4)c5ccccc5 -MOL_01_002753,C1C=CC2CNCc(c2c13)cc(c3)CCc4ccnc(c45)cncn5 -MOL_01_002754,c1ccccc1N(C2O)C(=O)Nc(c23)cc(F)c(c3)O -MOL_01_002755,CCc1cccc(c1)CCC(O)N(C)CC(=O)Nc2ccc(F)c(C(F)(F)F)c2 -MOL_01_002756,Fc1cnc(cc1)N2CC(CC2=O)C(O)NCCc3cccc(C(F)F)c3 -MOL_01_002757,Fc1ccc(cc1)C(O2)CCNc(c23)nc(F)nc3F -MOL_01_002758,Cn1c(F)nc(cc1=O)C2NC2c3ccc(cc3)-c4cccc(c4)CNCF -MOL_01_002759,CC(O)N1CNC1c2cc(nc(F)n2)N3CCNCC3 -MOL_01_002760,c1cccc(c12)CCN2C(O)CNc3nnc(F)n3CCF -MOL_01_002761,Fc1cc(ccc1)CN(C)C(O)n2cnc(c2)C(F)(F)C(CC34)C(C3)CC4 -MOL_01_002762,n1cccc(c12)NC(c(cc3)ccc3F)NC(N2)N4CCN(F)NC4 -MOL_01_002763,OCCN1C(O)NC(C1=O)Cc(c2)ccc(c23)OCC3 -MOL_01_002764,Oc1nc(O)c(c(F)n1)C(O)Nc(c2)ccc(c23)n(CF)c4c3cccc4 -MOL_01_002765,CNc1ccc(cc1F)CNNC(O)c(c2F)cnc(c23)c(C(F)(F)F)ccc3 -MOL_01_002766,c1cccc(c12)C(N)C(=O)C2CC(=O)Cc(c3)ccc(c34)NCCN4 -MOL_01_002767,c1ccccc1CN2C(=O)N(CC(F)O)C(O)C\2=C/c3ccc(F)cc3 -MOL_01_002768,Fn1nc(F)c(c1N(C)N)CNNc2ccc(cn2)CCC(F)O -MOL_01_002769,c1ccccc1C(N2)(C(=O)C)Nc(c23)cc4c(c3)NCC4 -MOL_01_002770,Fc1nc(F)cc(F)c1CNC(=O)c2cnn(c2)Cc3cccc(c3)C(F)N4CCCCC4 -MOL_01_002771,NCCC#Cn1c(nc(c12)cccc2)N3CCCN(CC3)Cc4ccncc4 -MOL_01_002772,c1ccccc1C(=O)c2cc(F)ncc2NC(F)(F)c3ccc(F)cn3 -MOL_01_002773,Cc1cc(C)ccc1C(=O)C=2CCC=c(c23)cc(cc3)-c4cc(C)ccc4N -MOL_01_002774,Cc1cc(F)cc(F)c1CN2C(=O)C(O)N(C2O)CC(=O)CCF -MOL_01_002775,c1cccc(c12)nc(F)n2Cc3n(C)c(nc3)NCC(F)NC4CCCCC4 -MOL_01_002776,C1=CCCNC1Nc2ccc(cc2C)-c3ccnc(c3)Nc4cncc(c4)-c5cccnc5 -MOL_01_002777,Fc1ccccc1C(=O)NCC(C(CC2)CNC2(F)F)c3cnc(F)nc3 -MOL_01_002778,Nc1cccn(c12)c(N3CC3)cc2-c4ccc(cc4)Nc5ccccc5 -MOL_01_002779,Fc1nc(cc(n1)F)OCNC(=O)c2ccccc2N3CCOC3 -MOL_01_002780,Fc1cnc(cn1)C(O)N2CCCC(C2)N3CCN(NC3)c4ccccc4F -MOL_01_002781,CC(O)C1CCN(CC1)c2ccc(nc2)Nc3ccc(F)c(c3)CCC4CCCN4 -MOL_01_002782,FC(F)N(C)C(=O)C(O)c1cccn1-c2cccc(F)c2CF -MOL_01_002783,Fc(c1)cc(F)c(c12)nc3c(c2O)NCCC3 -MOL_01_002784,C1CNc(c12)cc3c(c2)c(c4c(c3)CNC4O)-c5ccc(C)cc5 -MOL_01_002785,Oc1ncc(n12)CC(C2=O)c3ccc(Cl)cc3 -MOL_01_002786,CNC(O)c1cccc(c1)Nc2ncnc(n2)N3CC(C3)CNc4ccc(F)c(c45)cccn5 -MOL_01_002787,c1cncn1CC(N2)C(O)c(c23)cc4c(c3)CCCC4 -MOL_01_002788,n1cccc(c12)cc(OC)nc2CC(C)CCCNC(O)COc3ccccc3F -MOL_01_002789,c12ccc(CN)c(c1)Nc3ccc(cn3)CNc4ccc(c(F)c4)Cc5ccnc(c5)/N=C/2 -MOL_01_002790,FNc1cccc(c1)CCNC(F)c2cnc(NF)nc2NC3CNCCN3 -MOL_01_002791,c1ccccc1-c(nc2F)nc(c23)cn(n3)Cc4ccccc4 -MOL_01_002792,FC(F)(F)c1ccc(cc1)C(=O)NCC(O)NC2CNCc(c23)cccn3 -MOL_01_002793,CC(=O)N1CCC(CC1)c2nccnc2NC3CCN(CC3)c4cccc(n4)C -MOL_01_002794,OC(F)c1ccc(cc1)-n(cc2NN)c(c23)ccc(c3)-c4ccc(F)c(F)c4 -MOL_01_002795,NCCCc1nccc(c12)c(F)c3c(c2)c(F)c(cn3)NCC(F)F -MOL_01_002796,CC(O)c(c1O)c(C)nc(c12)c(F)c(F)c(F)c2 -MOL_01_002797,Fc1ccc(cc1)CNc2cc(ncc2F)C(F)NC(C(F)(F)F)c3cnccn3 -MOL_01_002798,OC1CC(F)(C)Cc(c12)nc(nc2)NCc3ccc(F)cc3 -MOL_01_002799,NCc1cnc(c12)n(cnc2F)COCCF -MOL_01_002800,Cn1cc(F)c(c12)cnc(c2)NC(O)c3ccc(C(F)(F)CF)cc3 -MOL_01_002801,OCc(nc1)cc(c12)c(F)cc(n2)-c3ccccn3 -MOL_01_002802,NCc(c1)ccc(c12)C(=O)C(N2)Cc3ccc(cc3)C4CCCN4 -MOL_01_002803,Cc1cc(ccc1)N(CC)C(O)(O)c2c(C)nc(F)nc2F -MOL_01_002804,CCCC(=O)Cn1c(O)nc(c12)nccc2N -MOL_01_002805,Fc(c1)ccc(c12)c3c(c(O)n2CO)c4c(c3)cc(F)cc4 -MOL_01_002806,Fc1ccccc1C(=O)NCc2n(C(C)C)c(nn2)OCC(O)c3ccc(F)cc3 -MOL_01_002807,FC(F)c1ccc(cc1)C(CN2)=Nn(c23)c(nc3)CCC4CCCCC4 -MOL_01_002808,FCc1ccccc1C(=O)NNCCNc(c(NF)c2)nc(c23)cc(F)cc3F -MOL_01_002809,c1ccccc1NCCC2(NF)CNN(CN2)Cc(n3)ccc(c34)cccc4F -MOL_01_002810,C1CCCCN1C(O)c2ncn(c2F)-c(c3)ccc(c34)nccc4 -MOL_01_002811,CCC(O)C1CCC(CC1)C(O)c2cc(C)c(O)c(C)c2O -MOL_01_002812,CCNc1ccc(cc1CCC)CCNC(O)CN(C(=O)C2)C(=O)C23CCNC3 -MOL_01_002813,CCNC(O)N(CC(F)O)C(=O)c1c(F)ccc(c12)c(C(F)(F)F)c(cc2)CC -MOL_01_002814,Fc(c1)ccc(c12)c(ccn2)NCCNCc3cn(cn3)-c4ccnc(c45)cc(F)cc5 -MOL_01_002815,COc1ncncc1C(O)NC2CCCc(c23)nccc3 -MOL_01_002816,c1cccc(c12)n(nc2C(O)NF)-c3ccc(cc3)Nc4cccnc4 -MOL_01_002817,OCCC(C1=O)=C(O)C(C)=C(C1=2)C=C(C2C)c3ccccc3 -MOL_01_002818,N1CCNC1NNC(O)c2cc(nc(c23)cccc3)Nc4ccccc4F -MOL_01_002819,FC1(F)CCC(CC1)NC(F)c2cc(NC)c(cc2)Nc3ncc(C(F)(F)F)c(n3)NC -MOL_01_002820,OC1CC(C)Cc(c12)n(nc2)-c3nc(F)cc(F)n3 -MOL_01_002821,Fc1ncc(F)cc1C(O)NC2CCC(CC2)Cn3nc(F)cc3CF -MOL_01_002822,OC(N1)CNC(F)(F)c(c12)cc(cc2)-c3ccc(F)c(F)c3 -MOL_01_002823,FNc1ccccc1N2C#CN(CC2)CNCCn3c(F)nc(c34)cccc4 -MOL_01_002824,FCNC(=O)c1c(F)c(F)nc(c12)cc(F)c(F)c2 -MOL_01_002825,FNNc1ccc(cc1)Nc2c(C(F)NCF)cnc(c23)c4c(cc3)cncc4 -MOL_01_002826,Fc1cc(F)ccc1CN2C(O)C(=O)N(CC2)c3cccc(F)c3F -MOL_01_002827,Cn1cc(CF)c(c12)ccc(c2)NC(O)Nc3ccccc3F -MOL_01_002828,Fc1cnc(n12)nc(cc2O)NCC(O)c3ccc(NF)c(c3)CCF -MOL_01_002829,c1ccncc1CNC(F)C(CC2)C=Cc(c23)c(ncc3)NC4CC4 -MOL_01_002830,c1cccc(c12)ccc(c2)-n3c(C)c(O)c(c34)cc(cc4)NC(O)NCNCF -MOL_01_002831,Fc1ccc(cc1)C(O)N(c2ccccn2)C3CCCCN3 -MOL_01_002832,Fc1ccc(cc1F)Cc2ccc(cc2O)-c3cccc(n3)NC4CCNCC4 -MOL_01_002833,FONC(=O)C(N1F)=C(F)N(F)c(c12)ccc(F)c2 -MOL_01_002834,O=C(F)c1cnc(cn1)NCc2cccc(c23)C(O)N(F)C3=O -MOL_01_002835,Fc1ccc(cc1N)N(C(C)N)Cc(n2)cnc(c23)nc(N)nc3F -MOL_01_002836,ClCn(cn1)c(O)c(c12)c3c(cc2)nc(n3)C4=NCCN4 -MOL_01_002837,CNc1cccc(c1)NC(O)Nn2cc(c(c23)cccc3)C(=O)c4ccccc4 -MOL_01_002838,CC(O)(O)c1ccc(cc1)-n2c(N)ccc2-c3ccc(F)cc3 -MOL_01_002839,c1ccccc1C(F)Nc2ccc(cc2)NCC(C=3)=CC(=O)C(C34)=C5C(=C4)CNCN5 -MOL_01_002840,CCc(n1)nc(n12)nc(cc2O)NC3CNC3 -MOL_01_002841,Fc1nc(F)nc(c12)ncc(c2C)CNc3cc(F)ccc3F -MOL_01_002842,CCCC(O)Nc(nc1F)cc(c12)NCC(N2)c3ccc(CC)cc3 -MOL_01_002843,FCCC(O)c1cc(ccc1)NC(O)C(=CC=2)C(=O)C(C23)=CC(=C3)C4CCCCC4 -MOL_01_002844,C1NCNCN1Cc2c(N)c(N)c(F)c(c23)c(F)cc(c3)-c4ccc(F)nc4 -MOL_01_002845,Cn1ccc(c12)c(ccn2)-c3ccc(cn3)NC(F)Cl -MOL_01_002846,c1cccc(c12)C(CC(=O)N2)CNC(O)NCc3ccc(F)cc3 -MOL_01_002847,FC(F)(F)c1ccc(cc1)NC(O)C2CC(=O)N(C2)c(c3)ccc(c34)OCCC4 -MOL_01_002848,OC(F)Nc1ncccc1-c2cnc(nc2F)NCc3ccccc3F -MOL_01_002849,CNC(O)CCc(cc1)cc(C(O)N2C)c1CC23CCN(C)CC3 -MOL_01_002850,Cc1ccc(nc1)N2CCNC(C23)CN(C3)Cc4ccccn4 -MOL_01_002851,Fc(c1)c(N)cc(c12)CCC(=O)c3c2cc(NF)cc3F -MOL_01_002852,C1CC(=O)CC1(C(F)F)NCc(c2F)c(C)nc(c23)cccc3F -MOL_01_002853,CN(F)c1c(F)n(nc1C)CC(=O)CCC(=O)Nc2ccccc2N(F)F -MOL_01_002854,c1ccc(n12)c(=O)n(cc2C)CC(=O)N3C#CC(C)CC3 -MOL_01_002855,O=C(O)c1ccc(cc1)CCC(=O)c(nc2)cc(c23)C(=O)C(C3=O)Cc4cccnc4 -MOL_01_002856,c1ccc(CN)c(c12)ccc3c2N(CC3)c4ccccc4N=C -MOL_01_002857,CNc1ccc(cc1)C(N2CCC(F)CC2)c3nncn3C4OCCO4 -MOL_01_002858,c1ccncc1-c2nc(O)c(c(F)c2)NC(O)c3ccccc3 -MOL_01_002859,CCNc1ccc(C)cc1C(O)CCCC(O)NC(C)C -MOL_01_002860,Nc1ccc(cc1F)C(N2)CNc(c23)c(N)cc(n3)F -MOL_01_002861,Nc1c(F)c(F)nn1CC(O)N2CCC(NC2)Nc3cccnn3 -MOL_01_002862,CNc1ccc(c(C)c1)C(=O)CCCCN(C2)CCc(c23)cc(c(c3)CF)NC -MOL_01_002863,CCCNc1ncc(cn1)-c2cc(C3CN3)nc(F)c2NN -MOL_01_002864,n1cnc(F)c(c12)nc(CN)n2Cc3cccnc3 -MOL_01_002865,CCc1cc(CC)cc(c1)C(=O)Cc2cc(ccn2)C(C=3)=CC(C34)=CC=N4 -MOL_01_002866,FNCC1CN(C1)C(=O)c(n2)ccc(c23)cc(cc3)Nc4ccc(C(F)(F)F)cn4 -MOL_01_002867,NCc1cc(CN)c(C(F)(F)F)cc1NC(=O)C2(N)CCC(C(F)(F)F)C2 -MOL_01_002868,CN(C)c1c(CO)c(cn(C)c1=O)-c2ccccc2 -MOL_01_002869,FC(N1)Nc(c12)cc(nc2)Nc3ncc(NF)c(n3)NCc4ccccn4 -MOL_01_002870,CNC(=O)c1ccc(nc1)NC(O)Cn2cnc(c23)cccc3 -MOL_01_002871,C=1CNCC(C12)=c3c(=C2)cccc3CCC(O)CCN4CC=NC4 -MOL_01_002872,CC(F)(C)C(O)N1CCN(CC1)c2cnn(c(=O)c2F)-c3ccccc3 -MOL_01_002873,Cc1ccc(F)cc1NC(=O)c2ncn(c2F)Cc3ccccc3F -MOL_01_002874,CN(C)C(O)CNC1NCc(c12)c(cnc2)-c3ccc(C(F)(F)F)cc3 -MOL_01_002875,Fc1cnc(CF)cc1N(CC(C)C)CC(O)C(C)(C)c2ccc(cc2)CN3CCN(C)CC3 -MOL_01_002876,FCC1CCC(CC1)Nc(n2)nc(NC3CC3)n(c24)ccc4/C=C5/NC(F)NC5F -MOL_01_002877,c1cccc(c12)n(cc2C)C(O)(O)c3ccccc3C(O)O -MOL_01_002878,FCCCCNC(C)C(O)Nc(c1)ccc(c12)ccn2CCN(F)F -MOL_01_002879,Fc(n1)cnc(c12)nc(O)c(c2)C(O)Nc3ccccc3 -MOL_01_002880,c1nccc(c12)nc(CNC)c(n2)C(O)C3CCC(CC3)c4ccc(F)cc4 -MOL_01_002881,FCNCNc1ncnc(c12)cc(F)nc2 -MOL_01_002882,Fc1cn(cc1)CC(O)NCC2(F)NCNc(c23)cccc3 -MOL_01_002883,CCc1ccccc1-c2cnc(F)c(n2)C(O)NC(F)CCl -MOL_01_002884,CN(C)c1cc(ccc1)Nc2nc(C)c(N(F)N)c(n2)Nc3cccc(c3)N(C)C -MOL_01_002885,Fc1c(F)ccc(c12)cc(c(n2)F)CN(NC3NCCN3)C(F)NC4NCNCN4 -MOL_01_002886,CCc1cc(cc(c1)OC)Cc2cccc(n2)-c3cccc(c3)NC(C)O -MOL_01_002887,NNc(c1)c(NC)cc(c12)cnc3c2ccc4c3cc5c(n4)CCC5 -MOL_01_002888,Fc1ccc(cc1F)-c(c2)c(C(Cl)O)cc(c23)nc(F)nc3F -MOL_01_002889,n1cncc(c12)ccc(F)c2C(NC(O)NF)c3cccnc3 -MOL_01_002890,c1cccc(c12)c3c(cc2)C(NC3=O)(c4ccc(F)cc4)c5ccc(F)nc5 -MOL_01_002891,OCCC(C1=O)=C(O)C=C2N=C(C3=C12)CCC3 -MOL_01_002892,CCc1ccc(cc1NC)C(=O)C(C)NCc2c(C)nc(n23)cccc3 -MOL_01_002893,CN(C)c1nc(ncc1F)-c2ccnc(c2)-c3ccn(n3)COCF -MOL_01_002894,Oc1cccc(c12)C3=NC(C2)NC(C3)NCc4ccccc4 -MOL_01_002895,CCc1ccc(c(C(F)F)c1)NC(O)Nc2c(NF)c(F)cn2C -MOL_01_002896,CNc1ccccc1CNC(=O)c2c(F)nc(n23)cc(N)cc3 -MOL_01_002897,n1cncc(c12)cccc2NC(O)Nc3ncncc3F -MOL_01_002898,C1CCNC1Cn(c(F)n2)c(=O)c(c23)cccc3 -MOL_01_002899,CNc1ccc(cc1CC)Cc(c2O)cnc(n23)c(nc3)C(F)O -MOL_01_002900,NCCc(c1CN)ccc(c12)cc3c(c2)CNc4c3cc5c(c4)CCC5 -MOL_01_002901,c1ccncc1-c2c(O)n(cc2)-c3ccc(cn3)C(F)NC(F)(F)F -MOL_01_002902,Cc1cc(Cl)nc(n1)N2C(=O)C(CC2O)Cc3ccc(F)cc3 -MOL_01_002903,CCN(CC)c1cc(CC(=O)C)nc(n1)-n2cc(C)cc2C -MOL_01_002904,CNc1ccc(nc1)N2CCC(C2)CNC(F)Nc3c(F)cc(C)cc3F -MOL_01_002905,OC(F)c1ccc(cc1F)-n2cc(CF)c(c2)-c3c(F)ncnc3F -MOL_01_002906,O=C(F)c1ccc(cc1)NC(=O)C(C2(F)F)OCC2(F)C(=O)F -MOL_01_002907,CC(=O)c1cccc(n1)CC(F)c(c2)ccc(c23)c(=O)n4c(c3)CCC4 -MOL_01_002908,CCc1nc(NF)c(CN)c(c1CN)-c2ccccc2 -MOL_01_002909,c1cccc(c12)cc(C(O)NCC(F)F)nc2-c3cccc(C(F)F)c3 -MOL_01_002910,n1cccc(c12)cnc(NC)c2CNC(F)c3ccccc3 -MOL_01_002911,C1C=NCNC1Nc2ccc(cc2N)-c3cccc(c3)Nc4cccc(c4)C5CNCNC5 -MOL_01_002912,Fc1c(F)c(F)cnc1C(=O)CCC(O)Nc2ccccc2CC(F)F -MOL_01_002913,NNc1ccc(cc1)CNc(c2)cnc(c23)NC(F)(F)CC3F -MOL_01_002914,CCc1ccc(F)cc1CC2CNC(=O)CN(C2O)C(F)(F)c3ccc(F)cc3 -MOL_01_002915,O=C1C(F)CC(O)N1c(c2)ccc(c23)NCC3 -MOL_01_002916,Fc1ccc(cc1)C(F)(O)N(CCO)c2c(O)cccc2F -MOL_01_002917,Fc1nc(F)ccc1C(O)N2CCN(CC2)c3nnc(F)nc3F -MOL_01_002918,Fc1ccccc1C2=NN=C(C2=3)N=C(N3)c4ccccc4 -MOL_01_002919,CCc1cc(C(F)F)c(C)cc1N(C(C)O)Cc2ccc(NC)c(c2)NC -MOL_01_002920,C=1C=CC(C12)=Cc3c2ccc(c3O)CC(O)CC4CCCC4 -MOL_01_002921,c1ccnc(c12)Nc3c(N2)c4c(nc3)cccc4 -MOL_01_002922,c1cnccc1C(=O)N(CC(=O)C(F)(F)F)CNCNc2ccnc(c23)cc(F)cc3 -MOL_01_002923,CC(F)c1cc(F)ccc1NC(O)CNc2ncc(n23)nc(NCF)nc3NCF -MOL_01_002924,c1cccc(C(NC)C2O)c1c(c23)ccnc3 -MOL_01_002925,CCc1ccccc1N2CCCC(C2)Nc3nccnc3CN -MOL_01_002926,c1cccc(c12)nc(cc2)N3CC(C3)Nc4nccnc4C5CCCCC5 -MOL_01_002927,CC1C(F)=C(CN)C(=O)N1c2cc(F)ccc2F -MOL_01_002928,Fc(c1)ccc(c12)CC(C)CN2C(O)CCC(=O)N3CCCCC3 -MOL_01_002929,CN(C)CCNc1ccccc1C(F)Nc(c2C(F)O)ccc(c23)NCCC3 -MOL_01_002930,c1ccccc1Cc2nnc(n2CC)CCC(=O)Nc(c3)ccc(c34)OCC4 -MOL_01_002931,Fc1ncccc1Nc2cc(c3c(c24)nccc4)Nc5c(N3)nccc5 -MOL_01_002932,CN(C)c1cc(c(F)cn1)C2CCCCN2C(C)(O)O -MOL_01_002933,c1cccc(c12)OC(F)(F)CC2NC(=O)Nc3cccc(F)c3 -MOL_01_002934,FOCOc(cc(n1)O)c(c12)c(F)c(c(F)c2)CN3CCCC3 -MOL_01_002935,NCc1c(NC)cc(cc1C)CCC(C)NCC(N)Cc2c(CCNN3)c3cc(c24)cccc4 -MOL_01_002936,Fc(c1)ccc(c12)nc(N)n3c2nc(c3)Nc4ccccc4 -MOL_01_002937,CNCCn1cnc(c12)cc(cc2)C(F)O -MOL_01_002938,CNc1cc(NC)cc(c12)C=C(C2=O)CNC3CNCN3 -MOL_01_002939,c1ccccc1C2=NC(Cl)=C(C2=O)CC3C(O)NC(O)NC3O -MOL_01_002940,c1ccncc1CCNC(O)c2nncnc2Nc3c(F)cnc(F)c3F -MOL_01_002941,c1cccc(c12)ncn2CC(=O)CCC(O)Nc3cccc(C(F)F)c3 -MOL_01_002942,OC(F)C(F)Cc(n1CN(F)F)nc(c12)cc(C(F)(F)F)cc2 -MOL_01_002943,NCc1cc(F)c(c(F)n1)CNC2=C(F)C(F)=C2NC(F)(F)CF -MOL_01_002944,CCCC(=O)C1CCCN(C1)C(F)(F)c(c2)ccc(c23)n(C)c(c3)O -MOL_01_002945,C1CNCC1Nc(c2)ccc(c23)c4c(C3)c(O)cc(c4)NC5NCCCN5 -MOL_01_002946,n1ccn(c12)c(cc(n2)NF)NCc3cccnc3N4CCNCC4 -MOL_01_002947,c1ccccc1C(O)N2CCC(NC2)c3ncnc(c34)cccc4 -MOL_01_002948,FCCNc1n(C)c(c(n1)F)C(=O)NC(CC(F)F)C(=O)CF -MOL_01_002949,FCCc1cc(nc(F)n1)N2CCC(CC2)NC3CCCCC3 -MOL_01_002950,c1ccccc1CNC(=O)CCNC(=O)c(n2)cnc(c23)c(O)nc(n3)F -MOL_01_002951,Fc1cncc(c1F)NC(C2CNCN2)c3cccnc3 -MOL_01_002952,C1CCCNc(c12)ccc(c2)C(O)NNCc(c3)ccc(c34)cccc4 -MOL_01_002953,FNC(O)NNCN1CCc(c12)ccc(n2)NC(F)F -MOL_01_002954,CC(O)C(C)c1cccc(C(F)F)c1O -MOL_01_002955,OC(C1)C(C)(C)Nc(c12)cc(cc2)NC(F)(F)c3ccc(F)cc3 -MOL_01_002956,NCc(c1)ccc(c12)cc3c4c(ccc4)c[nH]c2c3O -MOL_01_002957,OC1CC(F)(F)Cc(c12)nc(nc2)Nc3ccc(CF)cc3 -MOL_01_002958,Oc1ccc(cc1)C(O)c(n(c2)CCC(F)O)c(c23)ccc(F)c3 -MOL_01_002959,COc1ccc(cc1)Nc2nc(N)c(C=O)c(n2)CC(C)C -MOL_01_002960,C1CCCOC1C(=O)NCOCc(nc(c23)ccnc3)n2Cc4ccccc4 -MOL_01_002961,CNc(c1)c(NC)cc(c12)cc(c(n2)O)NC(=O)CN(C)Cc3ccccc3 -MOL_01_002962,Cc1ccnc(c1)Cc2nc(C)c(nc2C)NC(CF)c3ccccc3 -MOL_01_002963,NC(F)(F)c1ccc(cc1)C(F)NC#CC(F)N(CC2)CCC23C=4C(N=CN4)=CCN3 -MOL_01_002964,c1cccc(c12)cc(c(n2)F)-c3ccc(NC)c(c3)NC(F)c4cccnc4 -MOL_01_002965,CNc1ccccc1CNc(n2)cn(c23)c(O)c(F)c(n3)C -MOL_01_002966,OC1N(C)C(O)c(c12)cccc2NC(=O)CF -MOL_01_002967,Fc1cnc(nc1)C(N2)CNc(c23)c(F)c(F)cc3 -MOL_01_002968,NCc(c1)c(CN)cc(c12)c(c(Cl)nc2C)NC(O)Nc3cccc(C(F)(F)F)c3 -MOL_01_002969,CCCc1ccc(cc1)-n2c(cnc2C)CCC(=N)N(CC)CC -MOL_01_002970,CNc(c1)ccc(c12)nc(c3n2cnc3)Cc4ccc(F)cc4Cl -MOL_01_002971,N1CCCNC1(F)CNc2cc(C(F)O)nc(n2)-c3ccc(cc3)Nc4ccc(F)cc4 -MOL_01_002972,CNc1ccc(NF)cc1CNc2ncc(n2N)-c3cccc(N(F)F)c3 -MOL_01_002973,c1ccccc1CNc2nc(F)c(C(F)O)c(n2)Nc3cccc(F)c3 -MOL_01_002974,NCCn1cnc(c12)c(F)nc(n2)OCCCCCCF -MOL_01_002975,Cc1nc(Cl)cc(c12)ncc(n2)-c3ccncc3 -MOL_01_002976,CC(C)OC(O)c(n1)nc(c12)ncc3c2c(O)n(cn3)CF -MOL_01_002977,NCc1cc(CN)cc(c1)NC2CCCN(C2)c3ncccc3CN -MOL_01_002978,Oc1cccnc1CC(C2)CN(C(F)O)Cc(n23)ncc3 -MOL_01_002979,C1CNCCC1C(=O)NCc2ccc(nc2F)-c3ccc(F)nc3 -MOL_01_002980,Oc1nc(F)nc(c12)n(cc2)CCCCCCC(F)(F)NF -MOL_01_002981,NCCC(F)CNc1ccc(cc1)-c(c2)ccc(c23)c(C4CC=NN=C4C)cc(c3)N5CN=CCC5 -MOL_01_002982,OCN(CF)c(c1)ccc(c12)cc(C(F)O)c(n2)Oc3ccc(F)cc3 -MOL_01_002983,c1ccncc1Nc(n2)nc(n(c23)ccc3CF)NCCc4ccccc4 -MOL_01_002984,OCCNc1ccc(cc1)C(F)/C=C(/C(F)N2)c(c23)cccc3 -MOL_01_002985,Fc(c1)ccc(n12)nc(F)c2C(O)NCCCNc3ccc(N(F)F)cc3 -MOL_01_002986,c1ccccc1CNCC(=O)N(C)c2c(F)nc(=O)n(c2F)Cc3ccccc3 -MOL_01_002987,C1CCCN1C(O)(O)c2cc(F)c(F)c(c23)nccc3 -MOL_01_002988,CCc1ccc(cc1CO)-c(c2)cc(CC)c(c2=3)=NCCN(C3)C(O)C4CC4 -MOL_01_002989,FC(F)(F)c1cc(cc(c1)C(F)(F)F)NC2=C(O)C(O)=C2NC(CF)Cc3ccccc3 -MOL_01_002990,FC1(F)NC(O)N(C1)c2ccc(cn2)CNc3ccc(F)nc3 -MOL_01_002991,Cn1ccc(c1F)CN2CCCN(C2)C(O)Nc3cccc(c3)-n4cccn4 -MOL_01_002992,Cc1ccncc1-c2ccc(C(=O)Nc3ccncc3)cc2-c4ccccc4N -MOL_01_002993,FCNC(O)c1c(F)ncn1-c2ccccn2 -MOL_01_002994,FCCN(CCF)C(O)c(c1)c(O)nc(c12)n3c(cc2)ncc3 -MOL_01_002995,Fc1ccc(cc1)CNC(O)c(c2)ccc(c23)nc(n3F)NCc4ccc(F)cc4 -MOL_01_002996,c1ccccc1C(O)N2C(=O)N(C(F)C2)c3ccc(F)cc3 -MOL_01_002997,CNc(c1)ccc(c12)nc(F)cc2-n3cnc(c3)CN4CCCCC4 -MOL_01_002998,FC(F)(F)CNC(CC1)CCC1(CCF)n2cc(C(=O)F)c(c2)Nc3ccnc(F)c3 -MOL_01_002999,CNc1cn(C)c(c1F)C(F)NCc2cnccc2C(F)(F)F -MOL_01_003000,c1ccccc1NNc2cccc(c2)C3C(O)=CCN3c4ccccc4 -MOL_01_003001,Fc1ccccc1CNC(O)C2CCN(CC2)c3cnccn3 -MOL_01_003002,FC(F)(F)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3nccc(c34)OCN4 -MOL_01_003003,C1C=NCNC1Cc2ccc(cc2CF)-c3cccc(c3)Nc4cccc(c4)C5CCNNC5 -MOL_01_003004,Cc1cc(F)ccc1NC(O)CCNC(F)(F)c(c2)ccc(c23)n(C)c(c3)O -MOL_01_003005,FCc1ccc(cc1)C(Cl)CNc2nncc(c23)nccc3 -MOL_01_003006,Cc1cccc(c1)C(F)N(C(F)(N)N)NC(=O)c(c2N)ccc(c23)NCNC3 -MOL_01_003007,Fc1ncc(cc1)C2NC2N(O)c3ccc(cc3)-c4cncnc4 -MOL_01_003008,NCc1ccc(cc1)NCc2nc(c3n(c24)cnn4)cccc3 -MOL_01_003009,CC(=O)Cc1ccc(c(c1)NC(=O)F)C2CC(CN2)c3ccccc3 -MOL_01_003010,Fc1nc(ccc1)/C=C/c2cc(NC(O)CCC)cc(c2)C(F)Nc3ccn(n3)C -MOL_01_003011,FNCc(c1)ccc(c12)nc3c(c2F)cnc(c3)NCc4ccc(F)nc4F -MOL_01_003012,c1ccccc1-c2cnc(Nc3cccnc3)n2CC4CCCC4 -MOL_01_003013,FCNC(O)Nc(nc1F)cc(c12)NCC(N2)c3ccccc3 -MOL_01_003014,Cn1ccc(c1)C(CC(O)N2)C23CCN(CC3)Cc4ccccc4 -MOL_01_003015,CCc1c(NC)nc(F)c(c1F)C(O)C(C)CCCO -MOL_01_003016,FNc1cc(ccc1)-c2ccc(C)c(n2)CC(O)c3ccc(F)cc3 -MOL_01_003017,c1cccc(c12)cc(O)cc2CCC(O)C3CCCC3 -MOL_01_003018,CCc1cc(C(F)O)c(O)c(c12)ccc(c2F)N3CCC(C3)CNCC -MOL_01_003019,CC(C)CNC(=O)c1ccnc(c1)NC(O)c2ccc(F)c(n2)C(C)O -MOL_01_003020,Fc1ccc(cc1)Nc2ccc(nc2)-c3nc(F)nc(c34)cccc4 -MOL_01_003021,C=1C=CC(C12)=CC(=C2NC)C(O)NC(F)c(c3)ccc(c34)CCCC4 -MOL_01_003022,NCC1CCN(C1)c2ccc(O)cc2C -MOL_01_003023,c1cccc(c12)N(F)C(=C(F)N2)C(O)Nc3cccnc3F -MOL_01_003024,FCNc(c1)c(NC)cc(c12)C(NCN2)C(O)c3ccccc3 -MOL_01_003025,OC(N1)CNc(c12)cc(c(F)c2)C(F)(F)N(C)CC(=O)Nc3ccc(C(F)O)cc3 -MOL_01_003026,c1cccnc1CN2CC(=O)N(C2O)c3cccc(Cl)c3 -MOL_01_003027,c1cccc(c12)c(=O)n(cc2C(O)CF)NC(F)c3cccnc3 -MOL_01_003028,FC(O)c1c(F)ccc(c12)CN(C2O)C3CCN(CC3)C(CC4)CCC4(F)F -MOL_01_003029,Cc1ccc(NC)c(c1)NC(C)c2cc(C(O)N(C)C)cc(c23)c(F)cc(c3)N4C=CNCC4 -MOL_01_003030,CNc1ccccc1N(C(=O)C(F)F)Cc2cc(F)nc(c23)cccc3 -MOL_01_003031,c12ccc(nc1)C(C)C(C)=C2CC(=O)C/C3=C/CNCCCC3 -MOL_01_003032,CNc1ccccc1CCCC(=O)CNc2ccccc2 -MOL_01_003033,CNc1ccc(cc1)CNC(O)CN(C(O)CC2)c(c23)cccc3 -MOL_01_003034,Fc1cccc(F)c1-c(c2)cc(F)c(c23)nc(cn3)Nc4cccnc4 -MOL_01_003035,NCc1ccccc1C(C=2)=CC(=O)C(C23)=CC=C3c4ccccc4 -MOL_01_003036,FNNC(=O)NC1CN(F)C#CC1c2ccc(F)cc2 -MOL_01_003037,FCc1cnccc1NC(C2F)CNc(c23)cc(NF)cc3 -MOL_01_003038,FCC(F)(C)NCC(C)(C)N(C1O)C(=O)c(c12)ccnc2 -MOL_01_003039,Fc1ccc(F)cc1C(OCF)C(=O)Nc(c2)cnc(c23)cccc3 -MOL_01_003040,OC1CCCC1NCC2NCC(CN2)C3=CC=c(c34)ccc=5c4C=CC5 -MOL_01_003041,OCNc1cc(c(NC)cc1CCl)C(Cl)(O)C2NCNC2 -MOL_01_003042,c1ccccc1C2(CCN(C(=O)C)CN2)C(=O)CCc3ccc(F)cc3 -MOL_01_003043,c1cccc(c12)C(=O)c3c(C2O)ccc(c3F)CNNC(O)c4ccncc4 -MOL_01_003044,CCc1c(CC)nc(cc1CC)CCc2nc(nnc2C)CC(O)Cc3ccncn3 -MOL_01_003045,Oc1cc(cnn1)-c2ccc(cc2)CNC(F)CN3CCCNC3 -MOL_01_003046,Nc(c1)ccc(c12)nc(F)c(c2)Cn3cnc(c3)-c4ccccc4 -MOL_01_003047,Fc1cc(cc(F)c1)NCc2cc(O)n(n2)C(O)c3ccc(F)nc3 -MOL_01_003048,c1cccc(c12)N=C3C(C2=O)=Nc4c3cccc4 -MOL_01_003049,CC(O)CNc1cnc(n1CC=O)-c(c2)ccc(c23)nccc3 -MOL_01_003050,CC(=N)CC(=O)CC(C1=O)=Cc(c12)cc(cc2)-c3ccc(CN)cc3 -MOL_01_003051,c1cncn1-c2ccc(cc2)Cc3nc(ncc3C)N4CCNN(C4)Cc5ccccc5 -MOL_01_003052,CC(O)C(O)CCc(n1)c(OC)cc(c12)ccc(c2)O -MOL_01_003053,c1ccccc1CC(=C2O)C(=N)C=C(C2=3)C(=CC3)c4ccccc4 -MOL_01_003054,Fc(n1)nc(F)c(c12)nc(cn2)-c3ccccc3 -MOL_01_003055,n1cnc(F)c(c12)cc(O)n2CCc3ccccc3 -MOL_01_003056,Fc1ccc(cc1)C(O)N(F)c(c(F)n2)nc(c23)cc(F)c(F)c3 -MOL_01_003057,CC(C)(C)c(c1)ccc(c12)CC(O)NC2c(c3)ccc(c34)NCC4 -MOL_01_003058,c1ccc(F)c(c12)ncc(c2F)C(=O)NCCc3ccccc3 -MOL_01_003059,Cc1ccccc1CN2C=NC(C(=O)C2=O)c3ccccc3C -MOL_01_003060,CNC1=Nc(cccc2)c2C(=O)N(C13)CNC3 -MOL_01_003061,c1cccc(c12)C(C(=O)C\2=C\C(=O)C)CC3=NC=NC3 -MOL_01_003062,c1ccccc1NC(=O)c2nc(cnc2F)-c3ccccc3F -MOL_01_003063,FC1CN(CC1)C(O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)F)cn4 -MOL_01_003064,OC(F)c1cc(=CN=N2)c2c(c1=3)C=CN3 -MOL_01_003065,c1cncnc1C(F)Cc(c2)ccc(c2=3)=C(C(N3)=O)CCC(=O)F -MOL_01_003066,CNc1nccc(c12)c(nc(n2)F)Cc3ccccc3 -MOL_01_003067,FCCNCC(=O)Nc(n1)ccc(c12)cn(c2)Cc3ccccc3C(F)O -MOL_01_003068,Cc(c1)cc(C)c(c12)c(F)n(c2)CC(O)NCCCN3CCN(CC3)c4ccccc4F -MOL_01_003069,c1cccc(c12)c3c(c(F)c2O)c4c(C3O)cccc4 -MOL_01_003070,NC(O)CCn(c(=O)c1)cc(c12)c3c(CC2)cccc3 -MOL_01_003071,C1CC1c(n2)ncc(c23)c(cc(n3)O)C(O)Nc4cccc(F)c4 -MOL_01_003072,c1cccc(c12)CCN(C2)C(O)Nc3ccc(nc3)N4CNCN4 -MOL_01_003073,c1c(O2)c(C)cc(c(c3)CN)c1c(c4)c3c(N)c(O5)c4C25C -MOL_01_003074,c1ccccc1CNc(c2)c(NC)cc(c23)N(CNC3)C(F)c4ccccc4CN -MOL_01_003075,c1cccc(c12)n(cc2)CCCc3ccc(cn3)Cc4ccncn4 -MOL_01_003076,c1ccnc(c12)c(F)ccc2C(=O)Nc3ccc(cc3)C4CC4F -MOL_01_003077,c1cccc(c12)c(F)nc(n2)CCC(O)CCC(O)Nc3ccc(CF)c(F)c3 -MOL_01_003078,Nc1ccc(cc1)-c2cc(N)c(CO)c(c2)C(N)C3CC=CC3 -MOL_01_003079,Cn1c(CN)ccc1-c(c2)ccc(c23)C(NF)CC3 -MOL_01_003080,CCC(C)NC(O)c1nc(cnc1F)-c2ccccc2CN -MOL_01_003081,C1CC1Cn(cn2)c(O)c(c23)cc(n3)CNNCNNF -MOL_01_003082,Fc1ccccc1NC2CCN(CC2)c3cnccn3 -MOL_01_003083,c1cccc(c12)c(cc(n2)F)NC(NC3NCCN3)NC4CCNCN4 -MOL_01_003084,NC(=O)CCC(O)c(c1)ccc(c12)CCCN2 -MOL_01_003085,CNCC(CCF)C(O)NCc(c1)ccc(c12)n(cc2)-c3cnccn3 -MOL_01_003086,FCCC(=O)c(c1)ccc(c12)cc(O)c(n2)O -MOL_01_003087,CNc(n1)ccc(c12)C(O)C(\C2)=C/c3ncc(cn3)N(C)C -MOL_01_003088,C1NC1CCC(N)(C(F)(F)F)c2cc(F)ccc2NCc3ccc(NF)cc3 -MOL_01_003089,c1cccc(c12)CCC(N)C2C(=O)Nc3ccccc3 -MOL_01_003090,CCc(c1)c(CC)cc(c12)c(cn(c2=O)CC)C(F)NCCCNC -MOL_01_003091,c1cccnc1NCCNC(O)c(n2)ccc(c23)cc(cc3)Nc4ccc(C(F)(F)F)cn4 -MOL_01_003092,CCc1ccccc1NC(=O)c2nc(ncc2F)NCc3ccc(F)cc3 -MOL_01_003093,OC(F)CN(CC1)CCC12CCN(CN2)c3cc(CC(F)(F)F)ncc3CF -MOL_01_003094,Cc1cc(F)nc(n1)-n2cc(Cl)cc2NC(O)COc3ccc(F)cc3 -MOL_01_003095,FC1CC(O)c(c12)cc(OCO)cc2NCO -MOL_01_003096,c1ccccc1NC(O)C(c2ccccc2)NC(=O)N(NN3)c(c34)cccc4 -MOL_01_003097,CC(C)c(c1)ccc(c12)nc3c(c2O)cc(c(n3)F)C(=O)F -MOL_01_003098,CNc1ccc(cn1)-c(c(n2)O)cc(c23)cc(F)cc3F -MOL_01_003099,C1COCN1C(NF)c2ccc(C)nc2Nc(c3)ccc(c34)cccc4 -MOL_01_003100,Fc(c1)ccc(c12)n(c(O)nc2=O)Cc3ccccc3 -MOL_01_003101,CCc(c12)c(C(C)C1C)cc(c2)C(=O)NCC(C=3)=CC(C34)=CC=N4 -MOL_01_003102,CNC(=O)c1cncc(c1)Nc2cccc(c2)NC(C)CCc3ccccc3 -MOL_01_003103,NCc(c1)c(NC)cc(c12)N=C(C2N)c3ccc(CC)c(c3)CN -MOL_01_003104,CNC1NC(=O)C(N1)Nc2cc(F)n(c2F)-c3ccccc3F -MOL_01_003105,CNC(CF)Nc1cc(F)nc(c1F)Nc2c(F)nc(F)nc2F -MOL_01_003106,CC(C)c(c1)cc(C(=O)O)c(c12)ncnc2 -MOL_01_003107,CC(=O)COc(c1)cc(O)c(c12)c(c3c(c2)C=CCC3)-c4ccccc4 -MOL_01_003108,FC1(N)NC(F)Nc(c12)ccc(c2)-c3cccc(NF)c3 -MOL_01_003109,c1ccccc1-c2cc(N)c(C)c(c2)N3CCC(NC3)c4ccccc4 -MOL_01_003110,CN(F)CCNC(O)c1ccc(cn1)N2CCN(CC2)C(O)c3ccccc3C(F)(F)F -MOL_01_003111,CNC(=O)c1cc(c(CF)c(Cl)n1)-c2ccc(F)cc2 -MOL_01_003112,NCc1ccc(cc1)CC2C(=O)CNc(c23)cc(cc3)CN -MOL_01_003113,COc1ccc(cc1)NC(=O)CNc(c2)ccc(c23)CCC(N3)O -MOL_01_003114,C1CC(=O)N(C12)c3c(N(C)C2O)cccc3 -MOL_01_003115,c1c(O)cc(NCF)c(c12)c(NF)cc(CF)c2C(=O)C(F)CF -MOL_01_003116,COc(c1)ccc(c12)c3c(cn2)c(O)n(c3)-c4ccc(F)cc4 -MOL_01_003117,OC(F)c1ccc(F)c(c1)Nc2cc(F)nc(n2)-c3cccnc3 -MOL_01_003118,Oc1nc(C(F)(F)F)ccc1C(=O)Nc2ccc(F)c(c2)-n3cccc3 -MOL_01_003119,COc1cc(ccc1F)/C=C(C2O)/Cc(c23)c(C(=O)F)ccc3 -MOL_01_003120,CCc1ccc(NC)c(c1)C(F)N2CCC(CC2)C(=O)NCc3cccnc3 -MOL_01_003121,CNc1ccc(cc1COC)-c2cc(CCO)cc(c2F)NC(=O)F -MOL_01_003122,FCNCNc1ncc(C(F)NC2CCN(C(F)F)CC2)c(n1)NC3CCC(F)CC3 -MOL_01_003123,C=Cc(c1)ccc(c12)cc(O)cc2O -MOL_01_003124,Fc1cnc(cc1)C2NCC(=O)N2c3ccc(Cl)cc3 -MOL_01_003125,NCc1ccc(cc1)-c([nH][nH]2)cc(c23)/c(cc3)=N/c(c4)ccc(c45)cccc5 -MOL_01_003126,C1CNCC12NC(=O)N(C2)c3ccc(cc3)CCc4ccccc4 -MOL_01_003127,n1cccnc1CN(C)C(O)CC2C(=O)NCCN2Cc3ccc(F)cc3F -MOL_01_003128,CNc1ccccc1NC(c2cccnc2)c(c3F)ccc(c34)cccn4 -MOL_01_003129,O=C(F)c(cc1)cc(c12)c(cc(n2)C=O)Cc3cc(F)c(F)cn3 -MOL_01_003130,NCc1cc(ccc1)-c2nn(C)c(n2)Nc3cccc(c3)C(F)O -MOL_01_003131,FCC(C1=O)=NC=C2N=C(C3=C12)CC(F)CC3 -MOL_01_003132,c1ccccc1C(C)CNc2nc(-c3ccccc3)nc(N)c2CCN -MOL_01_003133,n1cccc(c12)nc(nc2F)NCNN3CCC(NC3)c4ncc(C(F)(F)F)cn4 -MOL_01_003134,FCNc1cc(ccc1)-n2cnc(c2)C(O)Nc3ccc(cc3)C4CNCCN4 -MOL_01_003135,CCCC(O)CC(C=1)=CC(C12)=NC(=CC2=O)CNCC(=O)Cc3ccc(C)c(C)c3 -MOL_01_003136,Fc1c(F)c(C(F)(F)F)nn1CC(O)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_003137,CCC(O)c(n1)cc(O)c(c12)cc(cn2)NC(O)Nc3ccc(F)c(F)c3 -MOL_01_003138,CC(F)c1ccc(cc1)NC(O)Cn(c2O)ccc(c23)c4c(c3)cccc4 -MOL_01_003139,Oc(n1)cn(c12)c(F)c3c(n2)NCCC3 -MOL_01_003140,CNc1cccc(c1)CNC(O)c2c(F)nc(n23)cc(F)cc3 -MOL_01_003141,c1cncc(c12)nc(O)n2CCNCCNC(O)Nc3cccc(F)c3 -MOL_01_003142,CCc1cccc(NC)c1-c2cccc(c2)NCC(N=3)=CC(C34)=NCCC4 -MOL_01_003143,c1ncnn1CC(N(C2(F)F)CN)C(NC2)CNc3ccc(NC(F)(F)F)cc3 -MOL_01_003144,Cc1ccc(cc1)CC(O)C(C=2)=CC(C23)=C(C=C3N)c4ccccc4 -MOL_01_003145,FCN1CNC(NC1)Nc2ccnc(c23)cc4c(c3)cccc4 -MOL_01_003146,N1CCCc(c12)c(O)c3c(c2)cc4c(c3O)cc(C(F)F)cc4 -MOL_01_003147,c1ccnc(c12)c(cc(c2)NF)NCCCCCNC3C#CCC3 -MOL_01_003148,O=C(F)c1ccc(cc1)N(C=O)Cc(c2)cnc(c23)cc(F)nc3F -MOL_01_003149,Fc1ccc(cc1)Cc(c2F)cnc(c23)cccc3NNC4CNCCN4 -MOL_01_003150,C1CNC(N12)CNc3c(C2O)cc4c(c3)NCCN4 -MOL_01_003151,CC(=O)c1ccccc1N(C(O)C(=O)F)c2ccccc2CCC(F)O -MOL_01_003152,C1CCCCC1Nc2nc(nn2C)-c3ccc(cc3)C(O)NCCN4CCCCC4 -MOL_01_003153,Fc(c1)ccc(c12)ncc(c2O)N3CCN(CN3)c4ccc(F)cc4 -MOL_01_003154,C1CCCn(c12)ncc2C(O)N3CCC(CC3)Cc4ccccc4 -MOL_01_003155,CCN(CC)CCNC(=O)c1cc(F)c(F)cc1CCC(C)NC -MOL_01_003156,c1ccccc1N(c(c23)cccc2)NC(NC3NCF)c4ccccn4 -MOL_01_003157,Cn1ccc(c12)c(ncn2)NNC(=O)C3CCCCC3 -MOL_01_003158,OCCCCOc(c1O)c(F)nc(c12)cccc2 -MOL_01_003159,CNC(=O)c1ccccc1NC(O)C2CN=C(C2)c3ccccc3F -MOL_01_003160,Cc1ncc(cn1)CN2CCCCC2C(O)Nc3ccc(nc3)Nc4ccccc4 -MOL_01_003161,Cc1c(F)ccc(c12)c3c(C(C2)CO)c(O)c(F)cc3 -MOL_01_003162,Fc1ccc(cn1)-c2nccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_003163,c1cncnc1N2CCN(C2O)CCCCNCNc3ccc(C(F)(F)F)cc3 -MOL_01_003164,c1cccc(c12)c(=O)n(F)c(n2)NNCc3cc(F)ccc3F -MOL_01_003165,N1C=NC(C=12)=C(CC=C)C(=O)N(C2=O)CCC -MOL_01_003166,CNc1ccc(cc1)N2CC(NC2=O)CN(CC3)CCC3(F)c4ccc(F)cc4 -MOL_01_003167,COc1ccc(cc1NC)C2CCCC(=O)N(N2)Cc3ccc(F)cc3 -MOL_01_003168,Fc1ccc(cc1)NCc(nc(c23)cccc3)n2CCN4CNCNN4 -MOL_01_003169,CC(C)CNc1nc(F)c(C(C)O)c(n1)NCC2CCCC2 -MOL_01_003170,Fc1cccc(c1)CNC(O)c(n2)cnc(c23)ccc(c3F)C(F)O -MOL_01_003171,CCN(CF)CNCCCNNc1cc(NC)cc(c12)c(CF)ccn2 -MOL_01_003172,CNc1ccccc1C(=O)Nc2ccc(nc2)CNC(=O)N3CCNCC3F -MOL_01_003173,Nc(n1)ccc(c12)C(O)CC(C2)c3ccccc3 -MOL_01_003174,c1cccc(c12)C(C3CC3)c4c(CC2N)c(N)ccc4 -MOL_01_003175,c1ccnc(c12)c(N)cc(C(=O)C)c2C(C)O -MOL_01_003176,FC1(F)CNCN(C1)NCOCn2c(cccc3)c3c(c24)cccn4 -MOL_01_003177,CCNCn1c(O)nc(=O)c(c1C)CNc2ccccn2 -MOL_01_003178,Fc1ccc(cc1)C(=O)C2CCN(CC2)CCCn(c3=O)cc(n34)NCCC4 -MOL_01_003179,FCC(=O)NCC1CCNc(c12)cnc(c2)NCl -MOL_01_003180,FC(F)N1CN(CN1)N(C)C(O)c2ccc(cc2)Nn3c(F)nc(c34)cccc4 -MOL_01_003181,C1CCCC1CCC(=O)N2CCCC2C(O)NCc3cccc(F)c3 -MOL_01_003182,Fc1c(F)cccc1C(=O)N2CCN(C(O)C2)c3ccc(F)cc3 -MOL_01_003183,NOc1ccc(N)cc1CC(=O)CC2CCC(CC2)c3ccccn3 -MOL_01_003184,c1nccnc1CNC(=O)c2cc(c(F)cc2F)C(F)(F)N3CCCC3 -MOL_01_003185,Cc(c1)ccc(c12)C(F)(F)NCN2CC(O)Nc3cccc(c3)C(F)O -MOL_01_003186,NNc1ccccc1N2CCN(CC2)Cn3c(O)cc(c34)cccn4 -MOL_01_003187,CCc1ccc(cc1)N(C)c(n2)nc(O)c(c23)cccn3 -MOL_01_003188,C1CNCNC1c2cc(F)cc(c2)CC(F)Nc3cccc(c34)CNCN4 -MOL_01_003189,Fc1cccc(c1)Nc2nc(C(F)(F)F)ccc2C(O)NCCc3cccnc3 -MOL_01_003190,CC(N)c1cc(C(N)O)c(F)c(c12)nccc2 -MOL_01_003191,c1ccccc1CCC(O)N2CCN(CN2)Cc3ccc(F)c(c34)nccc4 -MOL_01_003192,CCc1ccc(cc1)C(O)NNc2ncc(F)c(n2)Nc3cccc(c3)NC(=O)C=O -MOL_01_003193,Cc1cccc(NC)c1-c2ccc(c(c2)C(F)N)CC3CCCCN3 -MOL_01_003194,CNc1ccc(cc1NN)CCc(n2COCCF)nc(c23)cccc3 -MOL_01_003195,c1cc(=O)n(N)c(c12)CCNC2NCCc3ccc(F)cc3 -MOL_01_003196,CCc1cnc(cn1)-c2cc(C)cc(c2N)-c3ccncc3 -MOL_01_003197,CCc1cccc(CN)c1C(=O)Nc2cc(C(F)(F)F)ccc2F -MOL_01_003198,C1CCCC1N2C(=O)CC(=O)N(C2O)CCc3ccc(C(F)F)cc3 -MOL_01_003199,CNc1ccccc1C2CCN(CN2)c3ccc(N(F)F)cn3 -MOL_01_003200,Cc1ccc(cc1)N(C(=O)F)C(F)(CC)C(O)NC2CCCC2 -MOL_01_003201,Nc1c(C(=O)O)cccc1-c2cnc(F)c(F)n2 -MOL_01_003202,c1ccccc1CNC(=O)CCC(=O)c2ccccc2C(F)N(F)N3CCC=NC3 -MOL_01_003203,C1CCC1C(=O)N2CCCCC2c3ncn(n3)-c4cccc(F)c4 -MOL_01_003204,c1cccc(c12)N(CC)C(O)CN(C2O)CC3CCCCC3 -MOL_01_003205,c1c(O)cc(O)c(c12)C(=O)CC(C)NC(O)CNC2 -MOL_01_003206,Fc1cc(ccn1)-n(n2)c(CC)c(c23)ccnc3 -MOL_01_003207,FCNC(C(F)F)Cc1ccc(cc1)NCNC2c(cccc3)c3Nc(c24)ccnc4 -MOL_01_003208,FC1NN(CCC1)c2cc(O)cc(O)c2Cc3ccccc3CF -MOL_01_003209,CCCc1ccc(cc1)CC2NC(=N)C(C2=O)CCC(=O)N -MOL_01_003210,CNc1ccc(cc1)Cc2c(F)cnn(c2=O)-c3ccc(CC(F)F)cc3 -MOL_01_003211,n1cccc(c12)cc(O)n2CN3CCN(CC3)c4ccccc4F -MOL_01_003212,OC(F)c1nccnc1C(=O)NC(F)c2ccc(cc2)-n3ccnc3 -MOL_01_003213,C1CNCCN1CCc2cc(F)ccc2NCNc3ccncn3 -MOL_01_003214,CCc1ccc(cc1)CCN(N)C2CCC(NC2)NC(=O)N(NN3)Cc(c34)cccc4 -MOL_01_003215,CCC(=O)C(CF)NC(=O)c1c(F)nc(n1C)CCCCl -MOL_01_003216,FCc1ccc(cc1)Nc2nc(nc(F)c2N(F)C)NCNCN3CCCCC3 -MOL_01_003217,n1ccnc(c12)c(cc(n2)N)C(O)CCCc3ccccn3 -MOL_01_003218,c1cccc(c12)ncc(c2O)CC(O)Nn3c(F)cnc3F -MOL_01_003219,c1cnccc1-c(cc(c23)ccc(c3)C)cc2C(=O)Nc4ccc(CC(F)F)cc4 -MOL_01_003220,Fc(n1)nc(F)c(c12)ncc(n2)C(=O)NCC(O)NCCc3ccccc3 -MOL_01_003221,C1CCc(c12)c(F)nc(n2)C(O)(O)c3cccc(F)c3 -MOL_01_003222,Nc1nn(N)c(c12)NCCNC2c3cccc(F)c3 -MOL_01_003223,Cc1cnn(c1)CCC(O)NC(O)(O)N2CCc(c23)cccc3 -MOL_01_003224,n1cccc(c12)c(ccc2CC)C(O)Nc3c(F)cncc3F -MOL_01_003225,NC(=O)c1cccnc1CN2NCCNC2CNc3cccc(F)c3 -MOL_01_003226,CNc1cncnc1C(O)Nc(n2)ncc(c23)ccc(n3)F -MOL_01_003227,C1CCNc(c12)ccc(c2)C(F)(C)NCC(=O)NC(O)NCCF -MOL_01_003228,O=CCCC(C(F)F)NC(O)c1ccc(cc1)CN(CCO)c(c2)ccc(c23)nc(F)nc3F -MOL_01_003229,Cn1c(F)nc(cc1=O)C2CC2c3cccc(c3)NCc4ccccc4 -MOL_01_003230,Fc1ccc(cc1)C(F)Nc2ccc(c(c23)nccn3)N4CCNCC4 -MOL_01_003231,N1=CCNC1C(O)C2=C=C/C(CC2)=C3/C=Cc(c34)cccc4 -MOL_01_003232,NCc1ccc(cc1)C(N)CNc(c2)cnc(c23)cc(O)cc3 -MOL_01_003233,CCN(C1O)c2ccc(c(c2c13)ccc3)C(=O)NC4CCCCC4 -MOL_01_003234,FNc1cc(ccc1)N2CC(CC2=O)NC(F)c(c3)ccc(c34)cccc4 -MOL_01_003235,c1cccc(c12)nc(O)c(c2)CNc3ccc(cn3)C(F)O -MOL_01_003236,FCc(cc1)cc(c12)c(ncc2C(=O)F)C(O)c3cccc(CF)c3 -MOL_01_003237,CCC1=C(CCC1)N2C(=O)N(C(O)CC2O)CCc3cccc(F)c3 -MOL_01_003238,CC(F)(C)NC1NC=C(CN1)c2cc(F)n(c2F)CC=O -MOL_01_003239,C1NCCNC1Cc2nc(O)c(c(F)c2)-c3cccnc3 -MOL_01_003240,O=C1CC(=O)c2cnc(F)c(c2c13)ccc3 -MOL_01_003241,Fc(c1)ccc(n12)nc(C)c2C(O)NCCNc3ccc(F)cn3 -MOL_01_003242,N1CNCc(c12)ccc(c2)CCC(F)c(c3F)cc(C)c(c34)ccc(c4)C(F)(F)C5NCCN5 -MOL_01_003243,NCc1ccc(F)n(c1=O)CC(=O)Nc2ccccc2C(F)(F)F -MOL_01_003244,CNc1cc(F)c(F)cc1C(=O)NC2CC(CO2)Cc3ccccc3 -MOL_01_003245,Cc1ccncc1CNNC(O)c(c2F)cnc(c23)c(F)ncc3 -MOL_01_003246,CCc1c(F)cnc(c1F)CN(C)C(O)c2cc(NC)ccc2NC -MOL_01_003247,O=C(F)c1c(F)ncnc1Nc2ccc(c(F)c2)CNc3ccccc3 -MOL_01_003248,N1CNc(c12)ccc(c2)C(O)N3CNCC(C3)c4nccnc4F -MOL_01_003249,Nc1cccc(c1)C(=N2)CCC23CNCN(C3)C(O)c4ccccc4 -MOL_01_003250,FCc1ncc(cc1NC)-c2ccc(nc2)NCCC3CNCCN3 -MOL_01_003251,FNc1ncc(F)c(n1)N2CCCCC2 -MOL_01_003252,c1cccc(c12)NCN(C2O)C(=O)NCc3cnc(nc3)N4CCNC4 -MOL_01_003253,CCCCC(O)c1cccc(c12)nc3c(n2)cc(c(F)c3)ONCC -MOL_01_003254,C=CCc1c(F)c(=NC=N2)c2c(c1=3)N=CN3 -MOL_01_003255,Cc1cc(F)nc(c1)N2CCC(CC2)N(C)C(O)Nc3ccccc3 -MOL_01_003256,CNc1ncccc1CC(=O)Nc2ccccc2C(O)CF -MOL_01_003257,c1ccccc1-c2c(C)c(CC)c(O)cc2CCC(O)C3C=CNCC3 -MOL_01_003258,NCc1ccc(cc1)-c(c2O)c(C)cc(c23)c(c(N)cc3)CC4C=NC(N)NC4 -MOL_01_003259,CC(C)CC(O)CCc(n1)c(N)cc(c12)cc(CC)c(c2)CC -MOL_01_003260,c1ccnc(c12)NCC2N(C)CC(O)N(C)C3CCOCC3 -MOL_01_003261,Fc1cc(ccc1)CC2NC(=O)N(C2O)Cc3ccccc3 -MOL_01_003262,Fc1ccc(cc1)-c2nn(-c3ccc(F)cc3)cc2NNc4ccccn4 -MOL_01_003263,Cc1ccc(c(n1)C(F)F)OCC(O)Nc2nc(F)c(F)cc2F -MOL_01_003264,CN1CCCN(NC1)NCn2ccc(c23)ccc(c3)NCc4ccccc4 -MOL_01_003265,Cc1cccc(c1)/C=C/C(O)CCC(O)N(CC2)c(c23)cccc3 -MOL_01_003266,Oc1nccc(c12)c(F)cc(n2)C(O)NC3CCCCC3 -MOL_01_003267,C1CC1N2C(O)CNC(C2)C(=O)NCCc3cccc(C(F)(F)F)c3 -MOL_01_003268,Fc1ccc(cc1)C(F)(F)N(C)CC(O)Nc2cccc(c23)COCO3 -MOL_01_003269,Cc1ccccc1NC(=O)CC(C2F)C(=O)Cc(c23)cccc3 -MOL_01_003270,O=C(F)COc(n1)ncc(c12)c3c(n2CCl)cccc3 -MOL_01_003271,CNC(=O)N(C)C1c(cccc2)c2Cc(c13)cccn3 -MOL_01_003272,FNc1ccc(c(F)c1)C(C(O)CN)CNc2ccc(C(F)F)cc2F -MOL_01_003273,OC(F)c(n1)cn(c12)CNc3c2cccc3 -MOL_01_003274,c1ccnc(c12)c(cc(c2)NC)NC(F)CCCNC(F)O -MOL_01_003275,C1COc(c12)ccc(c2)CC(=O)C3CCN(C(=O)C3)c4ccccc4F -MOL_01_003276,ON(F)c1ccc(cc1)C(=O)COc(c(F)n2)cc(c23)cncc3 -MOL_01_003277,O=C(F)c1nc(O)nc(O)c1CCc(c2)ccc(c23)cc(nc3)C(F)O -MOL_01_003278,CCc(c1F)ccc(c12)C(=C(C)CCC2)c3cc(CN)c(NC)c(c3)CN -MOL_01_003279,CCCC1=CC=C(C1=2)C(=O)C=C(N2)CCc3cc(NC)c(CC)c(c3)NC -MOL_01_003280,NCCc(c1)cnc(c12)cc(cc2)CC(F)N -MOL_01_003281,c1cccc(c12)ncc(F)c2CN(F)NC(O)Nc3ccccc3CF -MOL_01_003282,Nc1cccc(c1)N(N)C2=C(Cc3ccccc3)NC(N2)CNc4cccc(c45)cccc5 -MOL_01_003283,CNc1ccccc1CC(=O)CCNc2ccccc2 -MOL_01_003284,CNc1ccc(cc1)CNC(=O)C2CNC(C2)c3ccc(C(F)(F)F)cc3 -MOL_01_003285,CNc1cc(CCNF)cc(c1F)-c2cc(CNCF)cc(c2F)NN -MOL_01_003286,C1NCNCN1C(O)c(c2)ccc(c2=3)=C4C(C(=O)C3)=CC=C4 -MOL_01_003287,C1CCN1C(O)c(c2)cc(n23)c(ncc3)Nc4ccncc4 -MOL_01_003288,NCc1ccc(cc1)Nc2ncc(c(c23)cccc3)Nc4ccc(nc4)C5=NCCN5 -MOL_01_003289,c1cccc(c12)C(CN2)Nc3nc(Nc4ccncc4)nc(n3)N5CCNCC5 -MOL_01_003290,Fc1cc(ccc1)NC(O)Nc2ccc(cc2)-c(c3F)cnc(n34)cc(F)c4 -MOL_01_003291,CNc1cc(ccc1N)C2NC(C(CN)=C2CF)c3ccc(F)c(c3)NC -MOL_01_003292,C1NC1CNC(=O)Nc(c2F)cnc(c23)nc(cn3)NF -MOL_01_003293,Cc1ccc(cc1)Cc2c(O)c(C(F)CN)cc(c23)c(ccc3)NC(F)C45NC6NC(N4)NC(N6)N5 -MOL_01_003294,c1ccnc(c12)cccc2NN3CC(O)N(C3O)c4ccc(F)cc4 -MOL_01_003295,NCc1cccc(c1)CNc2nc(F)c(F)c(n2)Cc3c(F)ccnc3F -MOL_01_003296,c1ccccc1NC(F)c(c2)ccc(CN3)c2C34C=NCCN4 -MOL_01_003297,Fc1ccc(nc1)Nc2cccc(c2)NC3CNCC3Cc4cccc(F)n4 -MOL_01_003298,O=C(F)c1cccc(c1)-c2ccccc2C(O)NCC3CCNCN3 -MOL_01_003299,Fc(c1)ccc(c12)n3c(n2)ncc(c3O)NC(O)c4ccc(F)cc4 -MOL_01_003300,FC(F)c1cc(ccc1)N2C(O)N(CCCC2)C3CCN(CC3)Cc4ccncc4 -MOL_01_003301,N1CCCNC1NC(O)(O)c2ccccc2-c3ccc(c(F)c3)-c4ccc(F)nc4 -MOL_01_003302,NNC(O)c(nc1)cc(c12)cnc(NC(F)F)c2CN(F)O -MOL_01_003303,O=C(Cl)C(N1)C(C)(C)Nc(c12)nc(F)nc2O -MOL_01_003304,c1ccncc1N(C)C(O)c(n2)cc(O)c(c23)cccn3 -MOL_01_003305,NCC(=O)CCC(=O)c1ncncc1Cc2c(F)ccc(N)c2F -MOL_01_003306,Fc(c1)ccc(c12)c(O)c3c(n2)c(ccc3)CN4CCN(NCF)NC4 -MOL_01_003307,OC1NCCc(c12)c(C(O)NCCF)c(cc2CC)-c3ccccc3 -MOL_01_003308,c1cnc(c12)c(O)n(cc2)CC(O)N(CC3)CCC34CCCC4 -MOL_01_003309,FCCCCN1CCC(NC1)NC(F)c2cc(F)c(F)nc2NF -MOL_01_003310,FNCCc1cc(ccc1CN)Cc2nccc(c23)cc(CF)c(c3)NCCF -MOL_01_003311,O=C(F)c1cnc(cc1)NC(=O)NC2CCC(CC2)Cc3cncc(n3)C(F)O -MOL_01_003312,Fc1ccc(cc1)Nn2c(nc(c23)cccc3)C4CNCN(C4)C5CCNCC5 -MOL_01_003313,c1cccc(c12)nc(NCCN)n2-c3ccccn3 -MOL_01_003314,Fc1cc(cc(n1)F)C(=O)CCC(O)Nc2cccc(c2)C(F)(F)N3C#CCCC3 -MOL_01_003315,NCc1ccc(nc1)C(F)c(c(N)c2)cc(c23)NCN3 -MOL_01_003316,c1cccc(c12)ncc(c2O)C(n3ccnc3)c4cnc(CF)nc4 -MOL_01_003317,Fc(c1)ncc(c12)CNC2NC(=O)Cc3cccc(C(F)(F)F)c3F -MOL_01_003318,O=C1CCC(CC1)c(c2)ccc(c23)cc4c(c3O)cc(c(n4)F)C(=O)F -MOL_01_003319,CNc1cccc(c1)C23CCC(C2)N(CCO)CCN3 -MOL_01_003320,FC(F)(F)c1ccc(cc1)C(N2CCN(C)CC2)c(c3N)ccc(c34)cccn4 -MOL_01_003321,Fc1ccccc1C2CCN(C)CC2C(=O)NCCc(c3)ccc(c34)OCC4 -MOL_01_003322,NNc1cccc(c12)C(=C(CC2)NCCO)Cc3ccccc3 -MOL_01_003323,O=C1N=C(O)C(N1)c2cc(F)ccc2C(O)NCCCc3ccccc3 -MOL_01_003324,O=C(F)CCc1n(C)c(C)c(c1C)C(O)c2ccccc2 -MOL_01_003325,FCN(CF)CC(=O)NC1c(cccc2)c2Cc(c13)cccn3 -MOL_01_003326,CC(O)c1c(C)c(C)c(nc1C)NCCc2ccc(F)cc2 -MOL_01_003327,Cc1ccc(c(F)n1)C(O)N2CCCC(C2)Nc3ccc(F)c(F)c3 -MOL_01_003328,FNC(=O)CNc1ccc(nc1)-c2nccc(n2)-c3ccc(F)cc3 -MOL_01_003329,CCNc1cc(cc(c1F)CNC)CN2C=CC(CC2)NC(O)c3cncc(N)c3 -MOL_01_003330,COc1ccc(cc1)C(O)NCC(F)c(c(n2)O)cc(c23)cccc3 -MOL_01_003331,FC(C)c1cccc(c12)C(=N)C(C(N2)=N)CNc3ccccc3 -MOL_01_003332,O=C(F)C(F)CC(O)c1ccccc1OCCF -MOL_01_003333,FC(F)NC(=O)C1CCN(CC1)C2CCN(CN2)C(=O)c(n3)ncc(c34)cccc4F -MOL_01_003334,CNc1c(NC)cc(cc1NC)N(CCF)c(c2)ccc(c23)n(C)cc3 -MOL_01_003335,CC(=O)C(C(C)O)Cc1cc(C)c(O)c(C)c1O -MOL_01_003336,CN1CCN(CC1)CCNCNC(O)c2ccc(cc2)-c3cccnc3 -MOL_01_003337,c1ncncc1N(C2F)CCC23CCCN(C3)Cc4cccnc4 -MOL_01_003338,c1ccccc1C2(NC)CCC(CC2)CNc3ncccc3NC(O)CC(F)(F)F -MOL_01_003339,Cc1ccc(cc1)N(C(F)O)C(C)(CC)C(=O)NC2CCCC2 -MOL_01_003340,CC(C)C(F)Cc1ccnc(c1)C(=O)/C=C2/C(=O)Cc(c23)cccc3 -MOL_01_003341,C1CC1CNC(NF)c2ccc(F)nc2Cc(n3)ccc(c34)cccc4 -MOL_01_003342,c1ccccc1CC(=O)NCCNC(O)c(n2)cnc(c23)c(O)nc(n3)F -MOL_01_003343,c1cccc(c12)cc3c(c2)c(O)c4c(n3)c(ccc4)C(O)NCCc5ccccn5 -MOL_01_003344,c1ccccc1C2C=CC(CN2)NCC(C3=O)=C(N)C=C(C3=4)C=CC4 -MOL_01_003345,Fc1c(F)c(F)ccc1-c2nc(F)nc(c2)-c3ccc(cc3)-n4ccnc4 -MOL_01_003346,CN1CCN(CF)CC(C1)NC(O)c2cc(F)cn(c23)ccn3 -MOL_01_003347,OCc1cc(C(OF)O)nc(c12)c(ccc2)CCCC(F)F -MOL_01_003348,Fn1ncc(c1F)-c2cnc(F)n2CCCN3CCNCC3 -MOL_01_003349,CCc1cccc(c1CC)CC2CCN(C=N2)c3cccnc3C#N -MOL_01_003350,CC(C)(C)NC(=O)NCC(Cc(c12)cccc2)N(C1)C(F)NCC3CCCC3 -MOL_01_003351,c1ccnc(c12)nc(F)cc2C(=O)NCC(O)c3ccc(NCF)cc3 -MOL_01_003352,Nc1nc(F)cc(n1)NCc2ccc(cc2)NC(=O)CCc3c(F)cccc3F -MOL_01_003353,n1ccn(c12)CCN(C2)C(O)CC(F)Oc3cc(F)c(F)cc3F -MOL_01_003354,c1ccccc1-c2cnc(c(c2)-c3ccncc3)N4CCN(CC4)c5ncccn5 -MOL_01_003355,NC(N)NCNCc1cc(cc(c12)cccc2)-c3ccc(cc3)C4CNC(N)CN4 -MOL_01_003356,c1cccc(c12)C(CC(N2)N(F)N)c3cccc(C(F)(F)F)c3 -MOL_01_003357,FCN(CF)CCNc1ncc(CF)c(c12)cc3c(c2O)cccc3 -MOL_01_003358,FCNC1CN(C1)C2c(ccnc3)c3CNc(c24)cncc4 -MOL_01_003359,FC(F)(F)C(C(F)(F)F)CC(O)N1CCN(CN1)Cc2ccc(F)cc2N3CCC3 -MOL_01_003360,FCCCCCCN(C(=O)C(C1)C2)C(O)C12c3ccc(F)cc3 -MOL_01_003361,Fc(c1)cc(F)c(c12)C(=O)NC(F)C\C=C\CNCCC(=O)C2 -MOL_01_003362,CCCNC(N=1)=Nc(c12)ccc3c2=NC(=N3)NC(O)c4cccc(c4)NC -MOL_01_003363,C1COCN1C(Cl)c2cc(NC)c(cn2)NC(O)N(F)C -MOL_01_003364,CCc1ccc(cc1)C2=C(C(=O)CC2O)Nc3ccc(C)cc3 -MOL_01_003365,c1ccccc1N2CCN(CC2)C(=O)CCC(O)c3nc(F)ccc3F -MOL_01_003366,O=C(F)Nc1cncc(c12)C(O)c3c(C2O)cccc3 -MOL_01_003367,Cn1cccc1C(N2CC#CC2)CNC(O)c3ccc(CF)c(CF)c3 -MOL_01_003368,Cc1ccc(c(F)c1)Nc2nc(F)cc(n2)N(CF)CCNN3CCCNC3 -MOL_01_003369,Fc1ccccc1NCC(O)N2CCN(CC2)c3ccc(C(F)F)c(c3)N4CCCNC4 -MOL_01_003370,Cc1cc(O)nc(c12)cc(cc2)CCc3cn(cn3)-c4ccc(F)cc4 -MOL_01_003371,Oc1ccc(c(F)c1)NCc2cnc(O)c(c23)ncnc3 -MOL_01_003372,c1cc(F)nc(c12)ncc(c2O)C(F)Nc3ccccn3 -MOL_01_003373,O=Cc1ccc(cc1C(F)F)Nc2ccccc2NC(F)c3cc(CF)ccn3 -MOL_01_003374,CNc1cccc(c1NC)CNC(O)C(F)n2ccnc2C(F)F -MOL_01_003375,C1CCCCC1C(NC2=O)=NC23CCN(CC3)C(F)(F)Cc4ccccc4 -MOL_01_003376,CN1CCN(CC1)c2cc(F)c(cn2)N(C(F)O)Cc3ccccc3 -MOL_01_003377,Nc1cccc(c1)Cc(c2)ccc(c23)C(N4CC4)C=CC3(O)O -MOL_01_003378,Nc1ccc(cc1)C2CCC(O)N2c3ccc(Cl)cc3 -MOL_01_003379,NC#Cc1c(F)nc(n12)c(ccc2)CCc3ccccc3 -MOL_01_003380,COc1ccc(F)cc1N2CCN(CC2)CCCNc3nccc(n3)C(F)O -MOL_01_003381,C1N=CCNC1C(F)(F)c2cccc(c2)NC(F)/N=C/c3ccc(CN)c(c3)NC -MOL_01_003382,c1cccc(c12)C(N3CCC(C3)O)N(C2)C(=O)CNc4ccccc4 -MOL_01_003383,CNCCc1ccc(cc1)-c2nc(cnc2F)-c3ccncc3 -MOL_01_003384,c1ccccc1-c2cc(ccc2)NC(=O)N3NNCC=C3NC(O)c4ccccc4 -MOL_01_003385,O=C(C=1)C=C(O)C(C12)=CC=C2c3ccc(C(F)(O)O)cc3 -MOL_01_003386,CC(O)c1cncc(c1)C(=O)Nc(n2)ccc(c23)cccc3 -MOL_01_003387,c1nccnc1NC(=O)c2cc(-c3ccncc3)ccc2CNc4ccccc4 -MOL_01_003388,c1ccncc1C(CCCC(=O)C)c2cccc(c2)NC(NCF)NC(F)(C)C -MOL_01_003389,c1cccnc1CNc2cncc(c2)-c3cccnc3 -MOL_01_003390,OC(F)c1c(F)nn(c1F)CC(F)CNc(c2)ccc(c23)CNC3 -MOL_01_003391,c1ccccc1Cc2cnc(=O)n(c2O)-c3ccc(F)cc3F -MOL_01_003392,c1ccncc1C(CCC)NC(O)Cc2cccc(c2)C(C)C -MOL_01_003393,c1cncn1CCNC(O)c2cn(-c3ccccc3)cc2-c4ccccc4 -MOL_01_003394,C1CNCNCC1NC(=O)C2CCN(CC2)Cc3ccc(F)cc3F -MOL_01_003395,CNc(c1)ccc(c12)nc(c(c2)NF)NCC(O)N3CCCNCC3 -MOL_01_003396,FCCN1COCN(CC1)C(=O)c2cccc(c2)Cc3cnc(F)c(c34)cccc4 -MOL_01_003397,Fc1cc(F)ccc1CNC(O)N(C2)CC23CCN3c4ncccn4 -MOL_01_003398,CNc1cccc(c12)CN(CCCN2)Cc3ncccc3C(F)O -MOL_01_003399,Fc1ccc(cn1)Nc2cc(F)nc(n23)cc(c3)C(F)(F)F -MOL_01_003400,CNC(F)c1cccc(c1)Nc2ncnc(n2)N3CCN(NC3)c4ccc(F)cc4 -MOL_01_003401,Cc1cc(cc(n1)C)NCc2ncc(n23)CCCCC3 -MOL_01_003402,Oc1c(C)c(O)c(C)c(c12)C=C3C2=CC=C3 -MOL_01_003403,Cc1ncc(C(C)O)n1CCN(C)CCCCn2ccnc2C(F)F -MOL_01_003404,FCc1ccc(cc1)-c2ccc(o2)N(C3=O)C(=O)c(c34)cccc4 -MOL_01_003405,Fc1cc(Cl)ccc1NC(=O)C2COCN2C3CCCCN3 -MOL_01_003406,CCc1ccccc1NC(=O)CCN(C2O)C(O)c(c23)cccc3 -MOL_01_003407,CNc1ccc(cc1)CNC(=O)CN(C(O)NCC2)c(c23)cccc3 -MOL_01_003408,CC(=O)Nc(c1)ccc(c12)ncc(c2O)Cc3ccc(F)c(F)c3 -MOL_01_003409,Fc1nc(ccc1)NC(=O)NCCCOc2nccc(c23)ncc(n3)F -MOL_01_003410,c1ccccc1C2(CC(N)NCC2)CCNc3ccc(C)c(C)c3 -MOL_01_003411,FNc1ccc(C(F)(F)C(F)(F)F)cc1CNC2CCNNN2c3ccccc3 -MOL_01_003412,n1cccc(c12)nc(CCCN(C)C)c(n2)CCc3ccc(CF)cc3F -MOL_01_003413,Nc1ccn(c(=O)c1)-c2nc(F)n(n2)C(F)NCc3ccccc3 -MOL_01_003414,CCc1ccc(cc1)C2=NC2C(F)c3cc(CN)c(CC)c(c3)NC -MOL_01_003415,O=C1NC(C(F)O)CN1c2cc(F)c(c(F)c2F)N3CCCCCC3 -MOL_01_003416,CC1(C)C=C(CC(F)(F)C1)NC(F)CNc(c2)ccc(c23)ccc(n3)O -MOL_01_003417,CN(C)c1ccnc(c1)N2CCN(CC2)C(O)Cc3ccccc3 -MOL_01_003418,c1ccnc(c12)cccc2CN3C(=O)N(NC3)c4ccc(C(F)NF)cc4 -MOL_01_003419,c1cocc1/C=C(\C(=O)C)C2=NCCN2Cc3ccc(F)nc3 -MOL_01_003420,CCc1cccc(c12)/C(C(O)NN2)=C/c3ccccc3 -MOL_01_003421,CNc(c1)ccc(c12)cc(N3CNCCN3)nc2CCNC(F)O -MOL_01_003422,c1ccccc1Nc2ccc(cc2)NC(=O)C3(CN3)C(N)c4ccc(NC)cc4 -MOL_01_003423,c1cccc(n12)nc(F)c2C(O)NNCc3ccccc3C(F)F -MOL_01_003424,c1cccc(c12)CNCC2NC(=O)CNC(O)N3CCC(CC3)c4cccnc4 -MOL_01_003425,CC(N1)Cc(c12)cc(cc2)C(N)(O)C -MOL_01_003426,c1cccc(c12)nc(F)cc2NC(=O)Nc3ccc(CF)c(F)c3 -MOL_01_003427,Fc1ccc(cc1)CNc2c(O)c(C)cc(c2)NCC3CC3c4ccc(F)cn4 -MOL_01_003428,NCc(c1)cc(F)c(c12)C(NCC(F)O)c3c(N2)cccc3N -MOL_01_003429,c1cnccc1-c2cnc(O)c(c2)NC(O)c3ccc(CCF)cc3 -MOL_01_003430,NC1(N)N(C)C(O)C(C1)c2ccc(cn2)CCc3ccnc(F)c3 -MOL_01_003431,Cc(n1)cc(C)c(c12)cc(c(n2)F)C(O)NCCO -MOL_01_003432,CC(=O)NC/C(C(O)CC)=C\c1ccc(C)cc1 -MOL_01_003433,FCc1cc(F)nc(n1)N2CCN(CC2F)c3ccnc(n3)C(F)F -MOL_01_003434,CN(C)CCCCc1nc(cccc2)c2c(c13)nc4c(n3)cccc4 -MOL_01_003435,FCc1ccc(cc1)C(=O)N(CN2)CNC23Nc4c(C(F)N3)c(F)ccc4 -MOL_01_003436,NCC/C=C/c1cncc(c1)CCN -MOL_01_003437,C1#CCC(C1=2)=C3C(N2)=NC(=NC3=O)CCCO -MOL_01_003438,NCc1cncc(c1ON)CC2CCC(NC2)c3ccnc(C(F)(F)F)c3 -MOL_01_003439,CNCC#Cn1c(nc(c12)cccc2)CNC(F)c3ccc(F)cc3 -MOL_01_003440,CC(F)CNC(O)c(n1)ccc(c12)cc(cc2)Nc3ccc(C(F)(F)F)cn3 -MOL_01_003441,c1ccnc(c12)c(C(=O)F)ccc2C(C)O -MOL_01_003442,Nc1ccc(cc1)C(CCCN23)C(C2)NC3 -MOL_01_003443,Clc(c1)cc(n12)nc(Cl)cc2NCc3ccccn3 -MOL_01_003444,c1cccnc1C(O)CCn2c(F)nc(c23)cccc3 -MOL_01_003445,FCNC(O)C(N1)NC1(F)c2cc(F)c(cn2)CN3CCNC3 -MOL_01_003446,c1cccc(c12)nc(C(O)NCF)c(n2)Nc3ccnc(F)c3 -MOL_01_003447,c1ccccc1C2=C(N)C(=CC2=O)C(=O)N3CCCCC3 -MOL_01_003448,c1cccc(c12)C(O)=C(C2N)CC(O)CNCc3ccccc3 -MOL_01_003449,Cc1cccc(c1)C2C=CC(=CN2)C(N)(N)c(c3)ccc(c3=4)=CC(=O)C4 -MOL_01_003450,c1cccc(c12)C=C(C\2=N\C)NNCN3CCNC3c4ccccc4 -MOL_01_003451,CNc1ccccc1C2NC2C(CNC)CNC -MOL_01_003452,Fc1nc(cc(F)c1)C(O)NC(O)NC2c(cccc3)c3c(c24)cccc4 -MOL_01_003453,N1CCN=C1c2cc(N)c(cc2)-c3ccn(c3)-c4cccc(c4)C5NCCN5 -MOL_01_003454,c1ccccc1-c(c(c23)CNC2O)c4c(c3)ccnc4 -MOL_01_003455,O=C1CCCC(O)C\1=C(/F)c2ccccn2 -MOL_01_003456,FNC(O)CCc1cccc(c1)C(F)(F)n2ccc(c23)cccn3 -MOL_01_003457,Nc1cccc(c1)N(C2N)Cc(c23)cc(cc3)-c4ccc(N)c(c4)NN -MOL_01_003458,CC1=C(F)c(c12)c(CF)cc(c2)C(=O)Nc3c(F)cncc3F -MOL_01_003459,c1cccc(c12)c3c(c(c2)O)c4c(C3=O)cc(N)cc4 -MOL_01_003460,FCCn1ccc(c1F)-c2ccnc(n2)NC3CCNC3 -MOL_01_003461,OC1NNC(N1CC(F)F)c2ccncc2-c3ccc(F)cc3 -MOL_01_003462,C1#CCCCN1c2cc(NC(C)(C)C)cc(n2)CNC(O)c3ccncc3 -MOL_01_003463,Nc1ccnc(c12)Nc3c(C(F)N2)cccn3 -MOL_01_003464,CNc1c(NC)cc(cc1NC)CN(C2)CCc(c23)nc(F)nc3F -MOL_01_003465,CN(N)CCc1cc(O)c(cc1C(F)O)NC(=O)c2cnc(F)nc2 -MOL_01_003466,CNc1ccc(cc1)NC(=O)NC(N2C)=C(F)N(F)c(c23)ccc(c3)NC -MOL_01_003467,Fc1cc(ccc1)CNC(=O)c2nc(nc(O)c2F)-c3ccc(F)cc3 -MOL_01_003468,CNc1nc(F)ncc1-c2cn(cn2)CNCCF -MOL_01_003469,CNc1ccc(CN)c(c1)NC(=O)CNC(F)c2ccc(cn2)CN3CCNCC3 -MOL_01_003470,FNc1ncc(cc1)C(CO)Oc2cccnc2NF -MOL_01_003471,CC(F)CN1C(=O)CNC1c2cnccc2-c3ccc(F)cc3 -MOL_01_003472,Fc1cc(ccc1)CCc2cc(ccc2NC)C(O)N3CCN(CC3)c4ccncc4 -MOL_01_003473,c1ccccc1NC2CC(CN)=NC2c3cc(cccc4)c4c(c35)cccc5 -MOL_01_003474,Fc(n1)ccc(c12)c(ccc2N)C(CF)NCCc3ccccc3 -MOL_01_003475,FCC(O)c(c1)ccc(c12)N(F)C(O)CC2 -MOL_01_003476,Fc1nnc(c(F)n1)-c2ccc(C(F)(Cl)Cl)nc2 -MOL_01_003477,Fc1ncc(C(=O)F)n1CC(=O)NC(F)(F)c2ccc(F)cc2 -MOL_01_003478,Fc1cnc(cc1)N(CC(F)O)C(O)c2ccccn2 -MOL_01_003479,Fc1c(F)cccc1N(C(O)C(=O)N)c2ccccc2C(N)O -MOL_01_003480,Fc1cnccc1CCC(O)c2cccnc2C(O)c3ccccc3 -MOL_01_003481,O=C(F)c1ccc(cc1)NC(=O)n(c(=O)n2)cc(c23)cc(N(F)F)cc3 -MOL_01_003482,Fc(c1)ccc(c12)c(F)nc(n2)NC3NCN(CN3)CCc4ccccc4 -MOL_01_003483,CCc1ncc(cc1F)-c2ccc(c(F)c2)CCC(O)NC -MOL_01_003484,Fc1cc(ccc1)C(=O)Nc2cc(F)cn2-c3nc(F)cc(F)n3 -MOL_01_003485,Cc1ccccc1NC(O)CNc2ncc(n2CF)CN3C#CCCC3 -MOL_01_003486,CC1(N)CCC=C(N)C1c2cccc(c2)NCc3cccc(N)c3 -MOL_01_003487,c1cncn1C(C)c2c(F)ccc(F)c2CNC(F)CNC(F)(F)Cl -MOL_01_003488,C1CCCc(c12)nc(O)n2CC(=O)c3ccc(cc3)-c4ccccc4 -MOL_01_003489,O=C(F)C(C)Nc1ccccc1Cc(n2)cnc(c23)ccc(F)c3 -MOL_01_003490,FNc1ccc(cn1)-c2cnc(F)c(n2)-c3ccc(C(F)(F)F)nc3 -MOL_01_003491,C1NCCc(c12)ccc(c2)C(F)CCc3ncnc(c34)nccc4 -MOL_01_003492,Fc(c1)ccc(c12)c(ccn2)NCNCNCc3cccnc3 -MOL_01_003493,FNCC1CN(CC1)C(O)c2ccccc2Nc3ccncc3 -MOL_01_003494,FCC(=O)Nc(c1)ccc(c12)n(CF)c(c2)O -MOL_01_003495,COc1ccc(cc1)CC(C2=O)NCc(c23)cc(CO)c(c3)OC -MOL_01_003496,CNc(n1)cnc(c12)cc(NC)nc2CCNC(=O)CF -MOL_01_003497,CN(F)CCNC(O)C(N1)Nc2cccc(c2c13)cnc3 -MOL_01_003498,c1cccc(c12)nc(F)c(CO)c2NCc3ccccn3 -MOL_01_003499,c1cc(F)cc(c12)cc(n2N)C(O)Nc3ccccc3F -MOL_01_003500,c1cc(F)cc(c12)cc(c(n2)F)C(=O)NNCc3ccc(C(F)O)cc3 -MOL_01_003501,Nc1cc(F)ccc1COc2ccc(cn2)-c3ccccn3 -MOL_01_003502,Fc1cccc(c1F)NCCN(c2ccncn2)c3ccccc3 -MOL_01_003503,CCc1ccc(cc1F)NCCC(O)c2cc(CC)c(NC)c(c2)NC -MOL_01_003504,c1ccnc(n12)nc(F)c2C(O)NCc3ccccc3 -MOL_01_003505,CCc1ncc(cc1CC)CCC(O)C2CCN(CN2)c3ccccc3 -MOL_01_003506,FC1NCN=NC1c2ccc(cc2)C3CNC(NC3)C(F)(F)c(c4)ccc(c45)CC=N5 -MOL_01_003507,O=C1CCC(C(=O)N1)N(C2O)Cc(c23)c(F)ccc3 -MOL_01_003508,C1NCNNC1CNc2nc(C)ncc2C(O)NCCc3ccccc3 -MOL_01_003509,Nc1cc(F)nc(n12)nc(c2)NCc(n3)ccc(c34)cccc4 -MOL_01_003510,c1cccc(c12)nc(O)c(c2)NC(O)c3ccccc3NF -MOL_01_003511,Fc1ccccc1/C=C2\NC(=O)N(C2O)CCCC(O)Nc3ccccn3 -MOL_01_003512,CC1=C(N)C(C2)C=CCC12c3ccccc3O -MOL_01_003513,c1cncnc1NC(F)(O)c(c2)ccc(c23)c(ncc3)NCc4cccnc4 -MOL_01_003514,CCCc1nc(N(C)C)ccc1C(O)NC(C)c2ccccc2 -MOL_01_003515,CC(O)Cc1ccc(cc1C(F)O)N2C(=O)CCC2=O -MOL_01_003516,Fc1ccccc1NC2(CF)CC=CN(N2)Cc(c3)ccc(c34)NCCN4 -MOL_01_003517,FC(F)(F)c1cc(ccc1F)NC(O)c2c(F)cc(cc2F)NCc3cccnc3 -MOL_01_003518,FCNN(CNF)C(N1)NCc(c12)cccc2-c3ccccc3 -MOL_01_003519,NCc1ccc(F)cc1NC(F)C(F)NCC2(CCCC2)c3ccncc3 -MOL_01_003520,CCc1cc(C)cc(c1)OCC(=O)CC(O)CCC -MOL_01_003521,O=COCCC(C=C1)=C(C1=2)Cc3c(C2N)cccc3 -MOL_01_003522,OC(F)c1cnc(nc1C(F)CF)-c2ccc(cc2)Oc3cc(F)cc(F)c3 -MOL_01_003523,O=C1CC(O)c(c12)cc(cc2)Cc(c3)ccc(c34)C(O)NC4=O -MOL_01_003524,NCCN1CCNC(C12)c3c(NC2)cccc3 -MOL_01_003525,c1cccc(c12)CCN2C(O)CNNCc3ccccc3NC(F)F -MOL_01_003526,Oc1ccc(nn1)N2CCN(CC2)c3cc(F)nc(n3)-c4ccncc4 -MOL_01_003527,c1ccccc1NC(=O)CC(F)Nc(n2)nc(F)c(c23)cc(CF)cc3 -MOL_01_003528,Fc1ccc(cc1)CNC(=O)C(CNCN)Nc2nc(ncc2F)Nc3ccccc3 -MOL_01_003529,c1ccccc1-c(cc2N)cc(c2=3)=CNC(C3)C(O)Cc4ccccc4 -MOL_01_003530,CNC(CC1)CCC12CNC(O)c3c(C2)ccc(Cl)c3 -MOL_01_003531,OCc1cc(ccc1F)C(C=2)=C(C(C23)=CC(F)=C3)CCCC(F)O -MOL_01_003532,Fc1cc(ccc1)NC(O)Cc2cccc(c23)cccn3 -MOL_01_003533,Cc1nn(C)c(C)c1C2CNCCN2C(O)N(CCl)CO -MOL_01_003534,c1ccccc1-c2ccc(O)c(n2)CC(O)NCCCN3CCNCC3 -MOL_01_003535,FNc1cc(F)cc(c12)CCCNCCCC(F)CC2=O -MOL_01_003536,FC(F)CC(=O)c1nc(F)c(nc1F)NCC(O)CCc2ccccc2 -MOL_01_003537,FCc1cc(CF)c(nc1F)NCCOC2CCN(CN2)Cc3ccccc3 -MOL_01_003538,c1cccc(c12)cccc2CC(C3=O)NNCC34CCC(=NC4)c(c5)ccc(c56)cccc6 -MOL_01_003539,Fc(n1)nc(F)c(c12)NCC(N2)c3ccccc3 -MOL_01_003540,CC(=N)CCC(=N)C1CCCC1Nc2ccccc2CO -MOL_01_003541,NCn1cnc(c12)c(F)nc(n2)NCCCc3ccccc3 -MOL_01_003542,C1C=NCN1c2ccc(cc2N)-c3cccc(c3)Nc4cccc(c4)CC(C)O -MOL_01_003543,c1ccccc1C2(CC(=N)CC2O)c3cccc(c3)-c4ccccc4 -MOL_01_003544,CCN(CC)CCC(O)Nc1cccc(c12)C(=O)c3c(C2O)cccc3 -MOL_01_003545,CNc1ccccc1N/C(C)=C2\C(=O)CC(CC2O)c3ccc(C)cc3 -MOL_01_003546,Fc1c(F)ccnc1C(=O)NC2CNCNC2F -MOL_01_003547,CNc1c(CN)c(CN)cc(CNF)c1-c2ccccc2/C=N/F -MOL_01_003548,C1=NCCCC12NCC(CN2)C(C)c(c3)ccc(c34)c5c(nc4)nccc5 -MOL_01_003549,c1cccc(c12)c(N(C)C)ccc2C(C)c3ccc(cn3)CN -MOL_01_003550,c1cccc(c12)nc(CNC(F)O)n2Cc3ncnnc3F -MOL_01_003551,CNc1ccccc1Nc2ccc(cc2)NC(=O)c3cccc(C(F)N)c3C -MOL_01_003552,c1ccccc1C2=CC(N)N(C2)c3cccc(c3)C4NCNCN4 -MOL_01_003553,FCCNCCNC(O)c1nccc(c12)c(F)c3c(n2)cccc3 -MOL_01_003554,C1CN(C)CC12c3c(C(C2)C(O)O)cccc3 -MOL_01_003555,CN(C)c1ncnc(c12)CCN(CN2)CC(O)N(C)C -MOL_01_003556,NC(F)(F)NC(=O)C1CCN(NC1)Cc2cccc(c2)NC(F)Cc3cnccn3 -MOL_01_003557,OC(F)N1CCCN(CN1)C2CNCCc(c23)cccc3 -MOL_01_003558,CC(C)(C)OC(O)c1ccccc1-c2ccc(c(F)c2)-c3cnc(F)cn3 -MOL_01_003559,O=C1C=C(O)C(C)=C(C1=2)C=C(C2)c3ccc(cc3)CCCC4CCNCC4 -MOL_01_003560,c1cccc(c12)nc(cn2)N3CC(C3)Nc4nccnc4C5NCNCN5 -MOL_01_003561,CCCC(O)N(C1)CCc(c12)cccc2C(=O)C3CCNCC3 -MOL_01_003562,O=CCCCCn1c(F)nc(F)c(c1=O)CC(F)O -MOL_01_003563,NCc(c1)ccc(c12)C(N)(C(=O)C2)Cc3ccccc3F -MOL_01_003564,O=C(Cl)c(c1)c(C)cc(c12)C(O)C(CC)=CC2O -MOL_01_003565,CCCc1cc(ccc1O)-c2ccc(O)nc2 -MOL_01_003566,CNc1cccc(c1)Nc2nc(F)cc(F)c2C(=O)F -MOL_01_003567,CC(=O)NCC1CC(=O)C(C1)c2ccc(c(F)n2)C3CCOCC3 -MOL_01_003568,c1cccc(c12)nc(c(n2)F)NC(O)C3CCN(CC3)Cc4ccccc4 -MOL_01_003569,c1ccccc1C(=O)c2cncc(c2)C(F)C(F)NCNCF -MOL_01_003570,FN(F)c1cc(C)c(cc1CC)NC(O)CN(C)Cc2ccc(NC)cc2CF -MOL_01_003571,CCNC(O)c1ccc(c(c1)CC)Nc2ncc(CF)c(n2)NC -MOL_01_003572,FC1CC(C1)C(O)c2cc(CCC(C)(C)O)c(cn2)C3CC3 -MOL_01_003573,CNc1cncnc1C(=O)COc(c2)cnc(c23)cncc3 -MOL_01_003574,CNc1nccc(c12)ccc(n2)N3CCCCC3 -MOL_01_003575,O=C/C=C/c1cccnc1NCc2cccc(c23)cccc3 -MOL_01_003576,O=C(F)NC(C1(F)F)Cc(c12)c(CF)ccc2CC(F)O -MOL_01_003577,CCc1ccc(cc1)OC(O)CC(C2=O)=Cc(c23)cccc3 -MOL_01_003578,FCCCNCCCCCNc(c1)ccc(c12)n3c(CN2)ncc3 -MOL_01_003579,Oc1cc(CC)ccc1NC(F)N2CCN(CC2)c3ccccn3 -MOL_01_003580,OC(F)COc(n1)ccc(c12)c3c(n2CC)cccc3 -MOL_01_003581,Cc1cc(C)c(cc1F)C(=O)COc2ccc(F)nc2C(C)O -MOL_01_003582,FCCC(=O)c1cncn1N(F)c2ccc(F)cn2 -MOL_01_003583,NCc1ccc(cc1)C(O)N(F)C2CCN(CO2)c3ccccn3 -MOL_01_003584,Fc1cc(F)c(F)cc1C(=O)CCC(O)N2CCN(CC2)c3ccccc3 -MOL_01_003585,CCCC(=O)Nc1cccc(n1)Nc2ncc(F)c(n2)Nc3ccc(F)cc3 -MOL_01_003586,CN1CCN(CC1)c2cc(ccn2)CNCc3cccc(c34)NCN4 -MOL_01_003587,Fc1cncc(c12)NCC(C2)CC3CNCN3 -MOL_01_003588,Cn1cc(cn1)N(CC2)C(O)C23CCN(C3)Cc4cccnc4 -MOL_01_003589,CNc(c1)ccc(c12)C(O)C(CN2)Cc3ccc(cc3)CCCN4C=CCCC4 -MOL_01_003590,NNCNc(c1)ccc(c12)C(c3ccc(N2)cc3)C(C(N)N)c4ccccc4 -MOL_01_003591,Fc(n1)c(F)nc(c12)c(cc(c2)CF)CNCCCC(=O)F -MOL_01_003592,O=C(F)c1cnc(cn1)-c2ccc(cn2)C(O)Cc3cccnc3 -MOL_01_003593,c1ccncc1CNC(=O)CCCCN(C2=O)C(=O)N=C(C2=3)C=CN3 -MOL_01_003594,CNc1cccc(c1)-c2cccc(c2)-c3cc(O)cc(c3)C4CCCC=N4 -MOL_01_003595,O=c1nc(O)n(cc1C)C2C=CC(O2)CF -MOL_01_003596,O=c1nc(O)n(cc1F)CC(CN(CF)CF)NCc2ccc(F)cc2 -MOL_01_003597,O=C(Cl)NCC1CN(C(=O)N1)c2ccc(C(=O)Cl)cc2F -MOL_01_003598,FC(F)CC1(NF)C(O)N(C1O)c2ccccn2 -MOL_01_003599,C/C=N/c1ccc(cc1)CC2NC(O)N(C2=O)CNC -MOL_01_003600,CCCc1cnc(cn1)CN(C)CC(=O)Nc2cccc(c2)C(F)(F)N(C)c3ccccc3 -MOL_01_003601,Fc1ccc(cc1)C(F)Nc2c(F)nc(cc2N)NCC(=O)NCc3ccc(F)cc3 -MOL_01_003602,Nc1ccc(cc1)C(=O)Cc(c2)cnc(c23)cccc3 -MOL_01_003603,CC(C)(C)C(O)c(c(O)c1)cc(c12)C(O)CCC2 -MOL_01_003604,c1ccccc1CCc2nc(O)c(F)c(c2)NC3NCCNC3F -MOL_01_003605,FC(F)(F)c1cc(ccc1)NC(O)C(O)NCC2(CCCC2)c3ccccc3 -MOL_01_003606,Fc(n1)c(F)nc(c12)c(cc(c2)C(Cl)C)CNC(F)CC=O -MOL_01_003607,Fc1ccc(Cl)cc1C(=O)NC2CCC(CC2)N3C(=O)CCC3O -MOL_01_003608,CCc1cncc(c1)-c(c2)cnc(c23)CC(O)CC3 -MOL_01_003609,Fc1ccc(cc1)C(NC(O)CF)c(c2F)cc(F)c(c23)cccn3 -MOL_01_003610,FC(F)(F)c1ccc(cc1)NC(c2ccccc2)CCN3CCN(CC3)c4ncccn4 -MOL_01_003611,CC(=O)Nc(c1)ccc(c12)NC(CN(C)C2O)CCN(C)C -MOL_01_003612,c1cccc(c12)ccc(c2)CC(=O)CCc(c3)ccc(c34)CC(O)CN4 -MOL_01_003613,Fc1c(F)cc(cc1F)N(C)Cc(c2)cnc(c23)nc(F)nc3F -MOL_01_003614,CNc1cc(cc(c1)NN)CC2=NCC(C2F)Nc3cccc(n3)NC -MOL_01_003615,CC(F)Nc1ccc(N)cc1C(O)NC2CCN(CC2)Cc(c3)ccc(c34)CCC4 -MOL_01_003616,NCNCC(O)C(N1)Cc(c12)ccc(c2)Cc3ccc(NN)cc3 -MOL_01_003617,Cc1ccc(cc1F)C(=O)CCC2CNC(CN2)c3ccccc3C -MOL_01_003618,O=C(F)NC(F)c1ccc(cc1)NC2CN(C2)c3ccc(F)c(n3)C(F)(F)F -MOL_01_003619,n1cc(F)nc(c12)c(cc(n2)O)CN3CCCNC3 -MOL_01_003620,FNc1ccc(cc1)C(=O)Nc2c(F)nn(C(F)F)c2F -MOL_01_003621,CCCC(=O)c1ccccc1NC(O)CCC -MOL_01_003622,c1cccc(c1=2)=C3C(C2)=CC(=C3C)C(O)CNc4cccc(N)c4 -MOL_01_003623,NCc1ccccc1N2CCN(CC2)CC(F)NCNC(O)c(n3)ccc(c34)cccc4 -MOL_01_003624,Fc(c1)nc(n12)ncc(c2O)-c3ncnc(n3)NC4CCOC4 -MOL_01_003625,FCCCCc1c(F)n(cc1O)C(O)N2CCC(F)CC2 -MOL_01_003626,c1ccccc1C(CCF)NC(O)c2ccc(cc2)-c3ccncc3 -MOL_01_003627,NNc1ccc(cc1)-n2cc(cc2CN)-c(c(O)c3)cc(c34)cccc4 -MOL_01_003628,Oc1nc(C(F)(F)F)cc(c12)cc(NF)c(n2)CF -MOL_01_003629,Fc1cccnc1NC(O)C2CCCN(C2)c3cccc(n3)C(F)(F)F -MOL_01_003630,CNc1ccccc1CC(O)c(c2)ccc(c23)CCCN3 -MOL_01_003631,FCCc1ccc(cc1)-c2cnc(n2F)NCC(F)NCC3CCCC3 -MOL_01_003632,Fc1cc(F)cc(F)c1NC(=O)CNc2cc(CF)c(Cl)nc2F -MOL_01_003633,Fc(n1)cc(F)c(c12)cc(cc2)C(F)NC3CN(C3)c4ncc(C(F)(F)F)cn4 -MOL_01_003634,C1NCc(c12)cn(C)c2C(O)NCc3ccc(cc3)CCNF -MOL_01_003635,O=C(Cl)c1c(O)cc(Cl)nc1Nc2cnc(F)cn2 -MOL_01_003636,NCc1cccc(c1)CCc(c2)ccc(c23)CC(=O)CN3Nc4ccccc4 -MOL_01_003637,Nc1nc(F)nc(c1F)-c(n2)ccc(c23)cccc3 -MOL_01_003638,Cc(c1)ccc(c12)CC(O)C2NCC(=O)CCCc3ccccn3 -MOL_01_003639,c1cnccc1NC(O)CNC(c2ccccc2)c3ccccc3 -MOL_01_003640,NC(F)N1CNC(=C12)/C(C=C2)=C(\F)c3ccccc3 -MOL_01_003641,c1ccccc1CNc2cc(ccc2NC)C(=O)C3CNC(NN3)c4ccccc4 -MOL_01_003642,c1ccccc1CNC(O)c2ccc(cc2)-c3nccnc3F -MOL_01_003643,CNCC(C(O)CN)c1ccccc1CCc2cc(C(F)(F)F)nc(n2)NCc3ccccc3 -MOL_01_003644,c1ccnc(c12)cccc2NC(O)Oc3c(F)cccc3F -MOL_01_003645,C1CC1NCCCN(C)C(=O)Nc2cc(F)c(cn2)CN -MOL_01_003646,OC(F)c1ccc(cc1)Nc2nc(nc(F)c2NF)-c3ccccc3 -MOL_01_003647,C1CNCC12C(O)(O)N(CC2F)c3ccccc3 -MOL_01_003648,Cc1ccc(cc1)C(O)c2cc(C)n(c2O)-c3cccc(C)c3 -MOL_01_003649,Fc(c1)cnc(c12)Nc3c(OC2O)cccc3 -MOL_01_003650,NNC(=O)N(N)C1c(cccc2)c2Nc(c13)ccnc3 -MOL_01_003651,CNc1cc(F)c(F)cc1C(=O)CCN2CCN(CC2)CC3COC3 -MOL_01_003652,O=C(O)c1cccc(c12)ONc3c2cccc3 -MOL_01_003653,CNc1cnc(C(F)O)cc1NC(O)CCc2ccc(cn2)-c3ccccc3 -MOL_01_003654,Nc1ccc(cc1)-c2ccc(cc2)-c3ccccc3C(O)(O)C4C=CCC(N4)CN -MOL_01_003655,CCNC(O)C1CCN(CC1)C2=C(O)C(O)=C2Nc3ccc(C)c(F)c3 -MOL_01_003656,Fc(n1)ccc(c12)c(F)nc(n2)-c3cccnn3 -MOL_01_003657,CCC(O)c1cc(N(F)F)c(NC(=O)C)cc1CC2CCCC2 -MOL_01_003658,c1ccccc1C(O)CC(F)Nc(nc2)cc(c23)CCN3 -MOL_01_003659,c1cccc(c12)nc(F)cc2C(O)NNC3OCCCNCO3 -MOL_01_003660,Fc1cccc(F)c1NC(O)NCCc(c(F)n2)cc(c23)cccc3F -MOL_01_003661,CNc1ccc(c(F)n1)C(O)Nc2ccc(cc2)C3CNCN3 -MOL_01_003662,FNc1ccc(cc1)C(F)N(C=C2)CNC23CNN(CN3)c4ccccc4 -MOL_01_003663,FCNC(=O)N1CCN(CC1)C(O)c2cc(F)cc(c23)cccn3 -MOL_01_003664,C1CCCCN1CC(=O)NCCc(c(F)n2)cc(c23)cccc3 -MOL_01_003665,Cc(c1)cnc(c12)C(=N)c3c(C2O)cccc3 -MOL_01_003666,c1ccnc(c12)nc(nc2O)-c3ccc(N(F)O)cc3 -MOL_01_003667,Cc1nc(N)c(F)nc1C(=O)Nc2ccccc2CNC(F)O -MOL_01_003668,CN1C(=O)CC(C1=O)Cc2nc(ccc2O)CCc3ccncc3 -MOL_01_003669,CNc1cccc(c1)C(O)NC(N=2)=Nc(c23)ccc4c3=NC(=N4)NCc5ccccc5 -MOL_01_003670,CC(C)C(=O)Cc1cc(F)ccc1C2(CN2)CNC(O)C(C)C -MOL_01_003671,c1cccc(c12)CCN=C2c(cc3C(NCN4)=NC4NCN)cc(c3)C5CNCc(c56)cccc6 -MOL_01_003672,Oc(n1)n(F)c(=O)c(c12)ccc(c2)Nc3ccccn3 -MOL_01_003673,CNc1c(CN)cc(cc1CC)-c2cccc(c2F)NC -MOL_01_003674,CCCC(O)c1c(O)cc(C)cc1NC -MOL_01_003675,C1=NCC=NC1c(c2)ccc(c23)CC4N(C3)CC(=O)C4 -MOL_01_003676,CNCCNc1ccc(-c2ccccc2)c(c1)C3CNCNN3 -MOL_01_003677,CCCC(C1=O)=C(O)C=C(C1=2)C=C(C2)c3ccc(cc3)CCC(=O)CC -MOL_01_003678,CCc1ccc(cc1)C(F)(F)N2CCCC2CNC(O)C(=O)Nc3cccc(F)c3 -MOL_01_003679,CN(C)c1ccc(cn1)CC(C2=O)Cc(c23)cc(F)nc3F -MOL_01_003680,CNc1ccc(cc1)Nc2ccc(c(n2)N)C(O)c3c(F)ccnc3F -MOL_01_003681,FCNNC(O)c1ccc(cc1)NC(O)c2cc(F)nc(c23)cccn3 -MOL_01_003682,Cc1c(C)c(O)cc(c12)cc(cc2)CC3CCCCC3O -MOL_01_003683,FCC1CCN(CC1)C(=O)Nc(c2)cnc(c23)n(C(F)Cl)cc3 -MOL_01_003684,c1cccc(c12)C(O)c3c(C2=O)c(F)c(c(F)c3)NC -MOL_01_003685,Fc1ccc(cc1)NC(F)c2cnc(c(F)c2)N3CCN(CC3)c4ccncc4 -MOL_01_003686,FCNC(=O)c1ccc(cc1)NCc(n2)cnc(c23)nc(F)nc3F -MOL_01_003687,C1=NCCN1CC(=O)C2CCC(NC2)c3ccccc3 -MOL_01_003688,N1CCC(O)CC1c(c(c23)cccc2)ccc3NCN -MOL_01_003689,CCc1cccc(CN)c1C(=O)CCc(c2)cnc(c23)cccc3 -MOL_01_003690,c1cccc(c12)CN(C2O)C(C(=O)NC)Cc3ccc(F)cc3 -MOL_01_003691,CNc1ccc(cc1)CC(O)NCCCc2ccc(n23)nc(C)cc3F -MOL_01_003692,OC(F)NC1CNc(c12)cc(cc2)CCc3cccc(c3)N4CCCCC4 -MOL_01_003693,Fc1ccc(cc1)CNc2n(CCCN(C)C)c(nc2)-c3ccncc3 -MOL_01_003694,c1cc(F)c(n12)nc(C3CC3)cc2C(=O)OC -MOL_01_003695,Cn1ccc(c1)NC(O)c2ncn(c2Cl)Cc3cccc(C(F)(F)F)c3 -MOL_01_003696,Cc1ccc(cc1C)-c2ccc(c23)c(O)n(cc3)CCN -MOL_01_003697,NCC1Cc(ccc(c2)N)c2C(=O)C(N13)C=NC3 -MOL_01_003698,CCc1cc(N)c(C(C)N)cc1C(O)(O)n2cnc(C)c2 -MOL_01_003699,Fc(c1)c(F)cc(c12)c(cc(n2)O)CN3CCOCN3 -MOL_01_003700,Fc1cc(N)cnc1NCCNC(F)(F)c2cccc(c23)cccn3 -MOL_01_003701,c1ccccc1C(C(F)O)N(C2)CCc(c23)nc(F)nc3 -MOL_01_003702,CNc(c1)ccc(c12)n(cc2)CC(O)N3CCCC3Cn4cccn4 -MOL_01_003703,Nc1nc(F)cc(n1)C2CNCN(C2)Cc3c(N)cncc3F -MOL_01_003704,CNCCCCc(c1F)c(F)nc(n12)nc3c2cccc3 -MOL_01_003705,CC(N)CC1=CC(C(C)C(=O)CCC)=C(C1=O)c2ccccc2 -MOL_01_003706,CNc1ccc(cc1NC)C2NC(=NN2C(F)O)c3ccc(F)cc3 -MOL_01_003707,OCCCC(=O)c(c(O)c1)nc(c12)cc(F)cc2F -MOL_01_003708,c1cccc(c12)c3c(cc2N)C(=O)C(=C3)/C=C4\NC4 -MOL_01_003709,c1cccc(c12)nc(n2CC(F)N)NCNCNc3ccccc3 -MOL_01_003710,OC(F)c(nc1)c(n12)ncn(c2=O)-c3cccc(CF)c3 -MOL_01_003711,CC(C)NCc1cc(c(F)cc1F)C2(C)CCNC(N)N2 -MOL_01_003712,c1cccc(c12)C(NC)N(C)C2CCCNCCO -MOL_01_003713,c1cccc(c12)C(O)(O)c3c2c4c(cc3)cc(cc4F)C(Cl)O -MOL_01_003714,Cc1ccc(cc1)CC2CC(O)c(c23)c(O)cc(c3)C -MOL_01_003715,C1CNCN1c2ccc(cc2N)-c3cccc(c3)Nc4ccc(cc4)C5CCNCC5 -MOL_01_003716,CNC(O)c(c(n1)O)cc(c12)ncc(c2)CCCOCCF -MOL_01_003717,NC1N(C)c(c12)cc(cc2NC)CC(C(F)F)c3ccc(CN)cc3 -MOL_01_003718,c1cncn(c12)cc(c2C(C)C)C(CCC)CCN3CCC(O)CC3 -MOL_01_003719,c1cncn1C(NCN(C)C)c2cc(F)ncc2NCC(F)F -MOL_01_003720,C1CCNCC1CN2C(=O)N(CC2)c3cccc(F)n3 -MOL_01_003721,FN(F)c1cc(NF)c(CF)cc1C(=O)Nc2c(F)cc(F)cc2F -MOL_01_003722,FNc1ccc(C(=O)NCCF)c(c1)NC(O)c2cnccc2C -MOL_01_003723,c1cccc(c12)C=CC(N2)NCNNC(O)C(N)(N)Cc3cccc(c34)cccc4 -MOL_01_003724,Fc1ccc(F)c(c12)C(O)c3c(C2=O)c(F)cc(c3)C(F)O -MOL_01_003725,FNc1cc(NF)ccc1C(=O)Nc2ccc(cc2)CNC(F)N3CCCNC3 -MOL_01_003726,FCN(NF)c1c(N(F)F)cc(cc1)C(=O)Nc2cccnc2 -MOL_01_003727,Fc1cc(F)ccc1C(=O)NC2CCC(CC2)Cc3ccccn3 -MOL_01_003728,Nc1ccc(cc1)C(N2)COc(c23)cc(F)cc3 -MOL_01_003729,c1ccccc1C(F)Nc2cccc(c2)-c3ccc(CN)c(c3)CC4CCNCN4 -MOL_01_003730,c1cncnc1CNC(CN)c2cccnc2Nc3ccc(F)cc3 -MOL_01_003731,FC(F)c1ccc(cc1)C(O)Cn2cnc(c2)-c3ccncc3 -MOL_01_003732,O=C(O)CN1C(=O)OC(C1=O)Cc2ccc(nc2)CCc3ccncc3 -MOL_01_003733,CNCN(CNC)C(NN1)N=c(c12)ccc=3c2C=CC3 -MOL_01_003734,FCNc(c1)ccc(c12)ncc(c2F)C(O)NCNc3ccncc3 -MOL_01_003735,N1CCNc(c12)ccc(c2)NC(F)c3c(F)n(cn3)Cc4ccccc4 -MOL_01_003736,c1cccc(c12)c(O)c3c(n2)cc(cc3)CCC4(F)CNCCN4 -MOL_01_003737,c1ccccc1NCC(C(O)C=2)C(C23)=CC4=C(C3=O)C=CC4 -MOL_01_003738,ClC1(C)CC(C)CN(C1)C(=O)Nc2cc(C(F)(F)F)ccc2O -MOL_01_003739,Cc1cc(F)cc(F)c1C(F)(O)N(C)CC(O)N2CCCCC2 -MOL_01_003740,N1=CCCC1CNc2cncc(c2)-n3ccc(c34)cccc4 -MOL_01_003741,Fc1ncnc(c12)n(cn2)CCNCCNc3ccccc3 -MOL_01_003742,CCCCn1c(F)cc(c1F)C2CNC(NC2)Nc3ccccc3F -MOL_01_003743,FCc1cc(NF)ccc1-c2cncc(n2)NF -MOL_01_003744,OC(F)Nc(c1)ccc(c12)Nc3c(C=C2)ccc(n3)F -MOL_01_003745,OC(F)NCNc1nccc(c12)nccn2 -MOL_01_003746,Fc1ccnc(c1)-c2cc(F)c(nn2)NCCN3CCOCC3 -MOL_01_003747,c1ccccc1C(N=C2)C(c(c23)ccc(c3)NC)c4ccc(cc4)CNCN5CCNC5 -MOL_01_003748,Fc1ccc(C(F)O)cc1C(=O)CCc(n2)ccc(c23)cccc3 -MOL_01_003749,c1cccnc1OC2C(=O)N(C(O2)O)Cc3ccccc3F -MOL_01_003750,c1cccc(c12)C(N)CCN2C(N)N -MOL_01_003751,Cc1ccc(cc1N)C2CC(=C(O)CC2=O)Cc3ccc(cc3)-c4ccccc4 -MOL_01_003752,FC(F)N(C(F)F)CCCC(F)(c1cnccn1)c2cnnnn2 -MOL_01_003753,NCCNc1n(C)c(nc1)-c(c2)ccc(c23)CCC3 -MOL_01_003754,c1ccccc1-c(c2)cn(c23)c(nc(n3)F)CNc4ccc(N(F)F)cc4 -MOL_01_003755,Cc1ccc(C)c(c1)C(F)(F)N2CC(=O)N(C(O)C2)CCc3ccccc3 -MOL_01_003756,CNC(F)c1ccc(cc1)C(F)(O)Nc2cc(ccc2)C(O)(O)C3=NCCNC3 -MOL_01_003757,CC1=C(C(C)=N)C(O)=C(C1=C)c2ccccc2 -MOL_01_003758,CC(C)C(F)(F)NCC1CCC(CC1)NC(O)CC(C(=O)N=2)=c(c23)ccc(F)c3 -MOL_01_003759,Cc1c(F)cccc1-n2ccnc2CCC(O)O -MOL_01_003760,O=C1CCC(O)N1c2cnc(F)nc2Nc3ccccc3 -MOL_01_003761,FC(F)c1ncc(n1CNC)NCC(O)Nc2ccccc2CF -MOL_01_003762,O=C(F)c1ccc(cc1)NCc2ccc(NC)c(c2)Nc3cnc(F)nc3F -MOL_01_003763,OC(F)NCC(=O)Nc1ccc(F)cc1C(O)c2ccccc2F -MOL_01_003764,Cc1ccc(cc1)Cn2cnc(c2C)C(O)N(CO)Cc3ccccc3F -MOL_01_003765,FNc1ccccc1-c2cn(c(F)n2)CNc3ccc(F)cc3 -MOL_01_003766,Cc1ccc(cc1)C2NCCc(c23)cc(CCN)c(c3)NCN -MOL_01_003767,Fc1cccc(c1F)-n2cnnc2NC(F)(F)c3cccnc3 -MOL_01_003768,CC(O)c1cccc(c1)N2CCC(CC2)C(O)c3cccc(F)c3 -MOL_01_003769,c1nccnc1C(=O)CCC(O)NC2CCCc(c23)cccc3 -MOL_01_003770,C1CCCc(c12)c3c(cc2O)/N=C\CC/N=C\3 -MOL_01_003771,FC(F)(F)C(O)(O)c1cccc(c12)CCC(N2)N(CCF)CCF -MOL_01_003772,Fc1c(C)ccc(c12)cc(cc2NC(C)N)-c3ccc(cc3)C4C=NCCN4 -MOL_01_003773,Cc1cc(F)nc(O)c1CNC(=O)N2CCC(OC2)N3CCCOC3 -MOL_01_003774,c1nncn1-c2ccc(F)c(c2)C(=O)Nc3ccc(cc3)NC(F)O -MOL_01_003775,OC(F)c1cc(ccc1F)-c(c2)ccc(c23)ncnc3 -MOL_01_003776,Cc1cccnc1NC(=O)C(Cl)Cn2cc(C(F)(F)F)cc2Cl -MOL_01_003777,n1cccc(c12)OC(O)C2Cc3ccc(F)cc3 -MOL_01_003778,O=C(C)c1cccc(c12)CC(=C2N)C3CCC3 -MOL_01_003779,Cc1nc(C)c(cc1C)/C=C2\CN=C/C(C2O)=C\c3nc(C)c(C)cc3C -MOL_01_003780,CC(N)C(O)Nc1cc(CCN)cc(c1)-c2ccccc2 -MOL_01_003781,Oc1cccc(c1)/C=C/C(O)C(F)(F)F -MOL_01_003782,N1CCCNC1(C)c2cc(ccc2C)-c3ccc(cc3F)CCC(C)O -MOL_01_003783,Cc1ccnc(n1)C(C2CC2)NC(O)c3ccc(F)nc3C -MOL_01_003784,FNc1cnncc1CCC(F)Nc(c2)cnc(c23)NNC3 -MOL_01_003785,FC(O)c1ncnc(c12)cccc2Nc3ccncc3 -MOL_01_003786,NCc1ccc(cc1C)NC2CCC(=O)N2Cc3ccccc3N -MOL_01_003787,FCCNC(=O)c1cccnc1Cc2ccc(cc2)Nc3ccccn3 -MOL_01_003788,Cc1ccc(cc1)NC2NC(=O)CC(N2)C(=O)Nc3cc(C(F)(F)F)ccc3F -MOL_01_003789,OC(F)C1NCc(c12)c3c(cc2)cc(cc3O)-c4ccccc4 -MOL_01_003790,OC(F)Nc(c1)ccc(c12)nccc2Nc3cccc(F)c3 -MOL_01_003791,CC(F)(C)C(O)N1CCN(CC1)c2ccc(F)cc2C(F)O -MOL_01_003792,c1ccccc1N(c2cccnc2)C(=O)NC(O)c3ccc(C(F)F)cn3 -MOL_01_003793,c1ccnc(c12)ccc(c2)NC(F)c3ccc(cn3)-c4ccncc4 -MOL_01_003794,OC(N1)CCc(c12)ncc(c2)CCc3ccncc3 -MOL_01_003795,CNc1ccnc(c12)nc(nc2O)Nc3cccnc3 -MOL_01_003796,Nc1cc(cc(c1)N)CNCC(C)C(=O)N(CC(N)N)Cc(c2)cc(F)c(c23)CCCCC3 -MOL_01_003797,Fc1cc(ccc1)C(=O)c2ccc(cc2)N3CCN(NC3)C(O)c4ccc(F)cc4F -MOL_01_003798,N=C1CC(Cl)c(c12)c(O)c(cc2)Cc3ccccc3 -MOL_01_003799,Oc1cc(Cl)ccc1C(=O)NCC(F)c2ccc(F)c(F)c2 -MOL_01_003800,CNC(=O)c1ccc(C)c(c1)NC(O)CCNC(O)c2ccc(C(F)F)nc2 -MOL_01_003801,Oc(n1)cc(Cl)n(c12)cc(n2)OCc3ccccc3 -MOL_01_003802,c1ccccc1CC(O)Nc2cc(ccc2O)C3=CNC(C=C3)c4ccccc4 -MOL_01_003803,CN(C)C(=O)NC(O)C(CC(F)F)c1ccc(F)c(F)c1 -MOL_01_003804,c1cncn1C(F)CC(O)N2CCN(CC2)c3ccc(C(F)(F)F)cn3 -MOL_01_003805,c1ncncc1N(C(O)C2)CC23CCN(C3)Cc4cccnc4 -MOL_01_003806,CC(C)Cc1c(O)nc(F)n1C(=O)CCc2ccccc2 -MOL_01_003807,c1ccccc1-c2cccc(c2)C(O)NCC3CN=CCN3 -MOL_01_003808,O=C(F)C1CN(C1)Cc2cccc(n2)NC(CF)c3ccc(F)c(F)c3 -MOL_01_003809,Cn1ccnc1CC(O)c2cc(ccc2F)C(F)(F)N3CCCCC3 -MOL_01_003810,CCc(c1)ccc(c12)nc(F)c(c2)CN(CC)C(F)c3ccc(N)c(N)c3 -MOL_01_003811,Fc1ccc(cc1)C(C(=O)N2)=NC23CCNCCN3 -MOL_01_003812,NCNC(Cl)c1c(F)nc(F)nc1NCC2CCCCC2 -MOL_01_003813,c1ccccc1C2CC(c3ccc(N)cc3)CN(C2)c4ccccc4NN -MOL_01_003814,N#Cc1ccc(cc1)Cc(n2)cc(c(c23)cccc3)C4N=CCCN4 -MOL_01_003815,O=C1NC(O)NC\1=C\c2cc(NC)c(nc2)CCCC3CCCCC3 -MOL_01_003816,NOc(c1)c(CN)cc(c12)CC=C(C2)C(F)Nc3ccc(F)cc3 -MOL_01_003817,FCCNc1cc(c(F)cn1)-c2cncc(c2)NCc3cccc(F)c3 -MOL_01_003818,NCc(c1)c(C)cc(c12)C=C(C2=O)C(N)c3ccccc3 -MOL_01_003819,CNCCN1CNC(C1)N(c2ccc(NF)c(N)c2)Cc3ccccc3F -MOL_01_003820,CC(C)(C)CC(O)c1cccc(c12)c3c(C2O)cccc3 -MOL_01_003821,Cc1cc(ccn1)NC(=O)C2CCCN(C2)Cc3ccccc3 -MOL_01_003822,COc1ccc(nc1)NC2CCN(CC2)c3ccncc3 -MOL_01_003823,O=C1CC(O)C(N1)Cc2ccc(O)cc2 -MOL_01_003824,FC(F)(F)C(O)CCn1c(ncc1O)-c2cnccn2 -MOL_01_003825,Cc1ccc(cc1)NC(O)CCc2cc(C(F)(F)F)ccc2O -MOL_01_003826,Fc1cncnc1N2CCC(C(F)(F)F)NC2 -MOL_01_003827,NCc(c1)ccc(c12)C=CN(N2)c(c3)c(cc(c34)cccc4)-c5ccccc5 -MOL_01_003828,CCNC(O)Cc1ccc(cc1)NC(O)N2CCCCc(c23)cccc3 -MOL_01_003829,CNc1ccnc(c1)NCC(=O)Nc2ccccc2-c3ccncn3 -MOL_01_003830,NC(F)c1cccc(c1)Nc2cc(C(F)F)cc(n2)Nc3cc(C(F)N)cnc3F -MOL_01_003831,Fc1cc(ccc1)NCC(=O)Nc(n2)ccc(c23)c(F)cc(n3)O -MOL_01_003832,c1ccccc1CNC(O)c2cnc(nc2NCC(F)F)NCCN3CCCCC3 -MOL_01_003833,CC(F)(F)C(O)N1CCC(CC1)c2nccnc2Cc3ccc(F)cc3 -MOL_01_003834,OC(F)CNc1n(C)c(nc1)-c2cc(F)ccn2 -MOL_01_003835,N1CNc(c12)ccc(c2)CC(F)C(F)Nc(c3)ccc(c34)NCC4 -MOL_01_003836,CCCNC(O)c1ccc(cc1)NC(O)N(C2)Cc(c23)ccc(c3)-c4ccncc4 -MOL_01_003837,c1ccccc1-c2ccc(cc2)NCC(O)c(c3)ccc(c34)c5c(C4N)cccc5 -MOL_01_003838,c1cccc(c12)c(O)nc(n2)C(C)Nc3cnc(F)cc3F -MOL_01_003839,FCCC(O)N1CCN(CC1)C(=O)c2ccc3NC(O)c(c3c24)ccc4 -MOL_01_003840,Cc1cccc(F)c1NC(O)NC2(CCNCC2)C(O)NCCNN3CCCCC3 -MOL_01_003841,CNc1c(NC)c(F)c(c(F)c1CC)Cc2ccc(CN)c(c2)NC -MOL_01_003842,C1C(C2)CC(C3)CC1CC23c4n(C)c(=O)n(n4)CNc5ccccc5 -MOL_01_003843,FCc1cc(C(F)(F)F)cc(C(C)O)c1N2CCC(C(F)O)CC2 -MOL_01_003844,C1CCC1C(O)CCC(O)Nc2ccc(F)c(C(F)(F)F)c2 -MOL_01_003845,n1cccnc1Nc2ncc(C(=O)F)c(c2)NC(CF)Nc3ccccc3 -MOL_01_003846,ClCNC(O)n1c(O)nc(c12)cccc2 -MOL_01_003847,CNc1c(F)cc(F)cc1C(O)Nc2ccnc(c23)cccn3 -MOL_01_003848,C1CCCC1c2c(CN)c(O)c(cn2)Cc3ccccc3 -MOL_01_003849,c1ccccc1-c2cc(O)c(N)c(c2)CNc3ccccc3 -MOL_01_003850,FCCN1CCN(CC1)CNc2nc(cc(F)cc3)c3c(c24)cncc4 -MOL_01_003851,NC(=O)c1cncc(c1)Nc2ccnc(n2)-c3cccnc3 -MOL_01_003852,NC(O)c1cccc(c1)C(F)(F)N2CCN(NC2)c3ccccc3F -MOL_01_003853,c1cccnc1C(=O)NNCc2cc(NCC)c(cc2)CC(O)c3ccc(F)cc3 -MOL_01_003854,Fc1ccc(cc1)CNNC(O)c2nccnc2Nc3cccc(C(F)(F)F)c3 -MOL_01_003855,OC(F)NCc1c(F)cc(F)c(c12)nc(F)cc2 -MOL_01_003856,CCCC(C(O)NC)c1ccccc1CNc2ccc(C(F)(F)F)cc2F -MOL_01_003857,OC1(O)CC(O)C(C(F)F)=C1c2cccnc2 -MOL_01_003858,Fc1ccc(cc1)NCc(n2)cc(F)n(c23)nc(n3)F -MOL_01_003859,c1cccc(c12)c(cc(c2O)C(F)O)CN(CC3)CCC3(CF)c4ccccc4 -MOL_01_003860,FCC1NCCN1c2nccnc2Nc3ccc(cc3)Nc4ccccn4 -MOL_01_003861,Cn1ccnc1CN(C)c2ccc(nc2)-c3nccn3C -MOL_01_003862,C1CNC1(CC)Cc2cc(N)c(O)cc2O -MOL_01_003863,FCCCN(CCCF)c1cc(C)c(cn1)CNc2ccc(C(F)N)cc2 -MOL_01_003864,c1cnccc1C(F)N(F)c2ccc(nc2)NCc(n3)ccc(c34)cccc4 -MOL_01_003865,Cc(c1)ccc(c12)oc(n2)C3CCCC3Cc4coc(n4)C -MOL_01_003866,c12c3oc(c(c3C)C(C)O)c2c(CC(C)O)cc(c1)CC(=O)C -MOL_01_003867,FCCCNC(=O)c1cc(ccn1)Cc2ccc(cc2)NC(O)Nc3ccc(F)c(F)c3 -MOL_01_003868,c1cccc(c12)C(C(=O)O)c3c(CN2)cccc3 -MOL_01_003869,C1C(C)(C)Cc(c12)c(C)c(C)c(O)c2C(C)O -MOL_01_003870,N1CNNNC1c2ccc(cc2)Nc(c3)ccc(c34)cc(cc4C5=CCNC5)Cc6cccc(N)c6 -MOL_01_003871,C1NCCNC1C(CCO)c2cc(F)c(F)cn2 -MOL_01_003872,Cc1ccc(cc1C)CC(O)Nc2cnccc2C3CCCCC3 -MOL_01_003873,c1cccc(c12)N(C(N2)CF)C(O)CN3CCN(CC3)Cc4ccc(F)cc4 -MOL_01_003874,FN(F)c1cc(ccc1)C2NN(C(=O)F)C(N2)c3ccc(F)cc3F -MOL_01_003875,Cc1c(C)ccc(c12)C3C(=NC2)C(NCN3)NCN -MOL_01_003876,OCc1nc(cc(CF)c1F)-c2ccc(cc2)Nc3ccncc3 -MOL_01_003877,CC(O)NCC(O)Nc(n1C)nc(c12)nc(F)cc2 -MOL_01_003878,ClCc1ccccc1C(O)Nc2ccccc2C3=CC=NCC3 -MOL_01_003879,c1cncc(c12)nc(NNC)n2Cc3ccccc3F -MOL_01_003880,NNc1ccc(cc1)C=2C(=O)C=c(c23)ccc4c3cc(cc4)-c5ccccc5 -MOL_01_003881,Nc1cc(N)nc(n1)-n2cc(cn2)C(F)c3nc(F)cnc3F -MOL_01_003882,c1cccc(c12)c3c(cc2)c4c(C(C3)O)ccc(c4)C(CN)NC -MOL_01_003883,O=C(F)CCC(=O)c1ccc(CF)c(OF)c1NF -MOL_01_003884,FC1(F)NC(=O)N(C1)c2ccc(cn2)NCc3ccccc3 -MOL_01_003885,FCc1ccc(cc1)C(=O)NCC(O)NC(c2ccccc2)c3ccc(F)cc3 -MOL_01_003886,Oc(n1)cc(C(F)Cl)c(c12)ccc(c2)OCc3cccc(F)c3 -MOL_01_003887,c1ccccc1CC(O)C2NCNc(c23)ccc(c3)N=O -MOL_01_003888,Fc1cnc(cc1)NCNc2ncc(N)n(c2=O)CC(F)NCNCNC(F)F -MOL_01_003889,O=C(F)c1ccc(cc1)NC(F)(F)c2cccc(c23)cccn3 -MOL_01_003890,CNC(O)c1ccc(cc1)CCc2c(O)nc(O)nc2C(F)O -MOL_01_003891,NC(Cl)(N)Cc1ccc(cc1)C(=O)C2CCC(NC2)NCc3ccccc3 -MOL_01_003892,Fc1ccc(cc1)NC(O)c2nccnc2C(O)Nc3ccccc3-c4cccnc4 -MOL_01_003893,Fc1ccc(cc1)C(F)(F)CNC(O)c2cccnc2Nc3ccc(F)cc3 -MOL_01_003894,C1CNc(c12)ncc(c2)C(O)CN3CCN(CC3)C(O)NCF -MOL_01_003895,O=C1NC(=O)C(N1)NC(C2)CCc(c23)cccc3 -MOL_01_003896,FCC(O)Nc1ncc(cc1)C(=O)CNC(O)c2ccc(F)cc2F -MOL_01_003897,C1NCNC1C(O)N(c2ccncc2)Cc3ccc(NCl)nc3 -MOL_01_003898,c1cccc(c12)c(F)nnc2-c3cc(NF)c(cc3)NCCCF -MOL_01_003899,c1ncn(c12)c(cc(n2)C)Nc3cc(F)cc(F)c3 -MOL_01_003900,c1ccccc1Cc(c2)ccc(c23)C(=O)C(NC3)CC4=NCC4 -MOL_01_003901,CN(C)CC(C)(C)CNc1cccc(c1)C(=C(C2=3)C=CC3)C(=C2)c4ccc(N)cc4 -MOL_01_003902,Fc1ccccc1CNc2n(CC)c(nn2)NNC(O)Nc3ncccc3F -MOL_01_003903,Fc1ccc(nc1)NCCn2cnc(c23)cc(F)c(F)c3 -MOL_01_003904,c1cccn1-c2cc(C(F)F)cc(c2)CCCC3(N=CNCN3)c4ccccc4 -MOL_01_003905,c1ccccc1C(F)(Cl)C(NCCN)CNCN(C2)CCc(c23)cccc3 -MOL_01_003906,c1cccc(c1=2)=CC(=O)C2CCCC3CNC(CN3)c4ccccc4 -MOL_01_003907,Fc1cc(ccc1)CNC(O)CCNc2cc(F)nc(n2)Nc3ccccn3 -MOL_01_003908,Cc1cccn1CCCNC(CC(F)F)Nc(c2)ccc(c23)NCCC3 -MOL_01_003909,FCc1cccc(c1)NC(O)C2CCN(CC2)C(=O)c3ccc(C)cc3 -MOL_01_003910,OCCN1C(=O)NC(C1O)Cc2ccc(C)cc2 -MOL_01_003911,Nc1ccc(cc1)C2(NCCN2)C(N)CNCC3CC=C(CN3)c4ccccc4 -MOL_01_003912,OCc(c1C)cnc(c12)n(C)c(c2)O -MOL_01_003913,CNCc1ccc(cc1NC)CCC(=O)N(CF)CC(=O)Nc2c(F)cccc2F -MOL_01_003914,c1cnccc1NC(O)c2cc(cnc2F)-c3cccc(c3)-c4ccc(F)cc4 -MOL_01_003915,OCc1c(F)nc(O)c(F)c1NC2CC(O)OC(O)C2 -MOL_01_003916,CNc1cccc(c1)-n2c(cnc2O)Nc3cccc(c3)NN -MOL_01_003917,c1cccc(c12)OC(O2)(C(O)NC)Oc(c3)ccc(c34)CCO4 -MOL_01_003918,c1ccccc1CC(C(=O)F)NC(O)c2ccccc2 -MOL_01_003919,OCc(c1F)c(CC)c(C)c(c12)CC(CC2O)c3ccccc3 -MOL_01_003920,CC(N=1)=CC(=O)C(C12)=CC(=N2)NCc3ccccc3 -MOL_01_003921,CCc1ccc(nc1ON)NCCC(O)c2cccc(c23)cccc3 -MOL_01_003922,Fc1ccc(cc1)NC(CC2O)C(=O)c(c23)cccc3 -MOL_01_003923,OCC(=O)CC(C(=O)O)Cc1ccc(cn1)-c2ccccn2 -MOL_01_003924,NCc(c1)c(NC)cc(c12)NC(F)N(N)N=C2c3ccc(N)cc3 -MOL_01_003925,c1ccccc1N(CCCN)C(F)CCC(=O)C2CCN(CC2)Cc3ccccc3C(F)(F)F -MOL_01_003926,CC/C=C/c(cc1)cc(c12)CN(CNC(C)C)C(O)C(C2)CC(N)N -MOL_01_003927,Cc1cc(C)nc(n1)Cc2ccc(nc2)NC(=O)Cc3ccc(F)cc3 -MOL_01_003928,OC(F)c(c1F)cnc(c12)cc(nc2)CNCc3ccc(F)cc3 -MOL_01_003929,Cc1c(C)ccc(c12)cc(O)c3c2CC(C)C3(C)CN -MOL_01_003930,OC(F)Cc1c(O)c(F)c(C(C)O)c(c1)-c2ccccc2 -MOL_01_003931,c12c3c(CN)c(cc1)OC2c4c(C3O)c(C)cc(c4)CN -MOL_01_003932,CC(O)Oc1ccc(cc1)-c2nc(Cl)c(n2F)C(Cl)O -MOL_01_003933,OCOCOCCCn1cnc(c12)ccc(F)c2 -MOL_01_003934,CC(F)(F)c1ccnc(c1)NC(=O)Nc2ccc(cc2)Nc3ccnc(c3)NC(O)C4CC4 -MOL_01_003935,c1ccccc1-c(c2)ccc(c23)c4c(C3)c(O)cc(c4)C5CN5 -MOL_01_003936,CN(C)c(n1)nc(F)c(c12)cc(cc2)NCc3ccccc3 -MOL_01_003937,COc1ccccc1NNC2=C(C)C=C(C2=O)c3ccccc3 -MOL_01_003938,CNC(=O)CC1CCc(c12)cc(cc2)CC(F)(O)c3ccc(N(F)C)cc3 -MOL_01_003939,c1ccccc1-c2cccc(c2)NC(NC3)NCC34c5c(CN4)cccc5 -MOL_01_003940,FC(F)c1ncc(cc1)NCC(CCC2)C(O)c(c23)ccnc3 -MOL_01_003941,FCN(CF)Cc(c1)cc(F)c(c12)C(O)c3c(C2=O)cccc3F -MOL_01_003942,Fc1ncc(cc1)C(=O)c2ccc(nn2)NC(=O)C(F)(F)F -MOL_01_003943,FCc(c1)c(NC)cc(c12)nccc2Nc3ccc(C)cc3CO -MOL_01_003944,c1ccccc1C(=O)NNCCCC2C=CN(CC2)c(c3)cnc(c34)cccc4 -MOL_01_003945,Fc1cnc(cn1)CN(C)C2COCN(C2)c3ccccn3 -MOL_01_003946,C1NCNC12CC(=O)C(N2)c3ccc(cc3)NNc4ccccc4 -MOL_01_003947,CNc(c1)ccc(c12)ccc3c2C(F)(CC3)CNC(=O)NCCF -MOL_01_003948,N1CC(=O)c(c12)ccc(O)c2CO -MOL_01_003949,c1ccccc1-c2ccc(O)c(c2)NC(O)NC3Nc(c34)cccc4 -MOL_01_003950,CC(F)(C)c1ccc(cc1)CCNC(O)c2ccc(F)nc2C(F)(F)F -MOL_01_003951,CNc1ccc(cc1NN)CCC2(c3ccccc3)C=C2C(N)c4ccccc4 -MOL_01_003952,FCc1cccnc1CNc2cccc(c2)-c(n3)ncc(c34)ncnc4 -MOL_01_003953,CN(C)C1=C(F)C(=O)N(C1=O)c2ccnc(F)c2 -MOL_01_003954,CCc1c(NC)cc(nc1CF)CCC(O)N2CCC(=O)CC2 -MOL_01_003955,CCc1c(NC)cc(cc1NC)NC(O)C2CC(=O)N(C2)CCc3ccc(F)cc3 -MOL_01_003956,NNc(c1)ccc(c12)C(O)NC(N2)c3cccc(c3)CCC(F)F -MOL_01_003957,CC(O)c1ccc(nc1)Nc2nc(C3CCCCC3)nc(n2)N4CCCCC4 -MOL_01_003958,Fc1ccc(cc1)-c2nc(nn2F)Nc3cccc(F)c3F -MOL_01_003959,CCC(O)c1c(C)cc(CF)c(C(F)O)c1-c2ccccc2C(F)F -MOL_01_003960,NC(F)c1ccc(cc1)C2c(c(F)nc(n3)F)c3Cc(c24)nc(F)nc4F -MOL_01_003961,Fc(n1)cnc(c12)cncc2NC(=O)CNc3ccccc3F -MOL_01_003962,c1ccccc1CCC(C2)CC2(CCC(=O)C)CNc3nc(F)ncc3CF -MOL_01_003963,O=C(C1)C(O)CC12c3c(CC2=O)cccc3 -MOL_01_003964,FCc1ccc(cc1)C(=O)NNC(=O)c2cnc(F)c(c23)cccc3 -MOL_01_003965,c1ccccc1C(N)c(c2)ccc(c2=3)=C(C(=O)C3)C(N)NNCCCc4ccccc4 -MOL_01_003966,Cc(c1)ccc(c12)NCC2C(N)Nc3ccc(cc3)Cc4ccccc4N -MOL_01_003967,c1cccc(c12)CC(N2)C(O)Nc3ccccc3 -MOL_01_003968,NNCCN1CCNc(c12)cc(cn2)CNc3ccccc3 -MOL_01_003969,C1CNC1c2ccc(cc2CN)NC(=O)C=C=C3C=CC=C3 -MOL_01_003970,CNC(=O)c(c1)ccc(c12)ccn(c2=N)CC3CNCCN3 -MOL_01_003971,NCc1ccc(cc1)CC(C(N)NC2)=C(C23)N4CCN3CC4 -MOL_01_003972,Fc1cccc(F)c1Cc2c(O)c(ccc2)CC(O)C3CC3 -MOL_01_003973,OC(F)c1ccc(F)c(c1F)CN(C2CNCNC2)N3CNCOC3 -MOL_01_003974,FC(F)c1ccc(cc1)NC(O)C(F)c(n2)ccc(c23)cc(NF)cc3 -MOL_01_003975,Fc(n1)cnc(c12)nc(cc2)NCC(F)F -MOL_01_003976,NCc1nc(CF)c(F)nc1N(CC2)CCc(c23)cccc3 -MOL_01_003977,FCc1c(F)c(ccc1)C(=O)NCc2c(F)cc(F)nc2O -MOL_01_003978,c1ccccc1CC(C(F)(F)F)(C(=O)CCC)NC(F)Nc2ncccn2 -MOL_01_003979,O1CCc(c12)cc(CO)c(c2)CNc3cccc(F)c3 -MOL_01_003980,Cc(c1)cc(N)c(c12)CCC(C2)(N)CN -MOL_01_003981,c1cccc(c12)cccc2C(C(=O)F)NCc3cncc(C(F)(F)F)c3 -MOL_01_003982,CNc1cc(CO)cnc1-c2ccnc(F)n2 -MOL_01_003983,NCc1cccc(c1)/C=C/CN(C(O)C2)c(c23)cccc3 -MOL_01_003984,N1CCNc(c12)ccc(c2)C(=O)NC(F)(F)c3ccc(F)nc3 -MOL_01_003985,n1cccc(c12)cccc2NCc3ccccc3NCc4cccc(c45)cccn5 -MOL_01_003986,CNc1ccc(cc1)C(N=2)=CC(C23)=NC(=C3)c4ccc(c(N(F)F)c4)NC5CCCCC5 -MOL_01_003987,c1ccccc1C(C2O)C(O)c(c23)c(F)c(F)c(F)c3F -MOL_01_003988,c1cccc(c12)nc(F)cc2C(O)NCC(O)N3CCOC3 -MOL_01_003989,C=Nc1ccc(cc1CN)/C=C2\C(O)NCC2c3ccccc3 -MOL_01_003990,FCNC(=O)C(CF)Cc1cc(F)nnc1-c2ccncc2 -MOL_01_003991,c1cccc(c12)c(ncc2O)NC(O)CCCCF -MOL_01_003992,FC(F)NC(=O)c1nc(F)c(nc1F)Nc2ccc(C(F)(F)F)cc2 -MOL_01_003993,Fc1cccc(c1)C(F)N(CC2)CNC23CNN(CN3)Cc4ccccc4 -MOL_01_003994,c1ccccc1C(NC2(CN)CN)C(CF)(CF)NC2c3ccccc3 -MOL_01_003995,Fc1cnc(cc1)CN(F)C(O)CNc(c2)ccc(c23)cccn3 -MOL_01_003996,Fc1cccnc1C2CNC(CN2)c3cccnc3F -MOL_01_003997,CCNC(C)C1(N)CCC=C(C1)Cc2ccnc(n2)Cc3cccnc3 -MOL_01_003998,C1CNCCN1CCNC(NN)c2cccnc2Cc3ccc(F)cc3F -MOL_01_003999,O=C1NC(CF)CN1c2ccc(C(Cl)O)nc2 -MOL_01_004000,c1ccccc1C(N)(N)c2ccc(-c3ccccc3)cc2C4=CNC4 -MOL_01_004001,c1cccc(c12)cc(n2C)CN(F)C(O)NCc3ccc(F)nc3 -MOL_01_004002,CCC(CC)CC(O)Nc1c(CN)ccn1-c2cccnc2 -MOL_01_004003,CNc1ccc(cc1)C(=O)NCC(O)Cc2ccccc2NC -MOL_01_004004,CN(C)c1ccc(cc1)-c2cn(cn2)CCCCCCC(=O)NF -MOL_01_004005,CNc1nc(F)c(F)cc1NC(F)C2CCN(CC2)CNCc3ccccc3 -MOL_01_004006,Nc1ccc(cc1)C(C(N)N)C(=O)C(NC2)Cc(c23)cccc3 -MOL_01_004007,FNCCN(C(F)F)/C(=N/F)c1cccnc1CNC2CNCNC2 -MOL_01_004008,CNc1ccc(CN)cc1N(C(F)(F)O)CC(=O)N2CCN(CF)CC2 -MOL_01_004009,OC1NCC(C(O)C)=C(C1)c(c2)ccc(c23)NC3 -MOL_01_004010,N1CNCc(c12)c3c(cc2N)CNCCC3 -MOL_01_004011,C1=CC(=N)c(c12)c(O)c3c(c2)NCN3 -MOL_01_004012,c1ccccc1C(=O)NCC(O)NN2C(=O)CNC2c3ccccc3F -MOL_01_004013,NCc1ccc(cc1)Cc2ccc(cn2)C(F)N(Cc3ccc(C(F)F)cn3)CNc4ccccc4 -MOL_01_004014,Fc1cc(ccc1)NC(O)Cc2cccc(c2)Cc(c3)ccc(n34)ncc4 -MOL_01_004015,CCc1ccccc1CCc(c2)ccc(c23)NC(C)C(=O)N3 -MOL_01_004016,Fc1ccc(cc1)NCC(CN)N2CCC(CC2)c3ccc(cn3)C(O)CF -MOL_01_004017,O=C(F)Nc(c1O)c(C(F)(F)F)nc(c12)cccc2 -MOL_01_004018,NCCC(C)C1CCc(c12)c(O)ccc2 -MOL_01_004019,Fc1c(F)c(O)nc(c12)nc(cc2)CCc3cncc(F)c3 -MOL_01_004020,Fc1ccccc1NC(NCF)NC(Cn2ccnc2)c3ccc(F)cc3F -MOL_01_004021,CNc1cccc(c1)CNC(NN)c2cccnc2NC3CCN3 -MOL_01_004022,Oc1cc(F)c(c(F)c1)C2CCCNC2c3c(F)cc(O)cc3F -MOL_01_004023,c12c(O1)c(C)cc(C)c2C(=O)CN -MOL_01_004024,CNc(c(N)c1)cc(c12)nc(=O)n(C)c2O -MOL_01_004025,Cc1ccc(cc1)NC(=O)N2CCNCC2CNc3cccnc3 -MOL_01_004026,Cc1ccccc1CC(=O)Nc2ccc(cc2)C(O)(O)N3CCN(C)CC3 -MOL_01_004027,OC(F)c1ccc(cc1)C(N)Cc(n2)cnc(c23)nc(F)nc3F -MOL_01_004028,CC(N)N1CCC(CC1)Oc2ccc(nc2)NCCNc3cccc(c3)C(N)N -MOL_01_004029,O=C1NC(O)NC1Cc2ccnc(c2F)NCF -MOL_01_004030,c1ccccc1C2=CC(N)Cc(c23)c(NN)ccc3 -MOL_01_004031,FCC(O)N1CCOC1c(n2)ncc(c23)NCCO3 -MOL_01_004032,Oc1c(N)c(C)c(nc1C)NCc2ccccc2 -MOL_01_004033,CNc1ccccc1NC(C(O)N2)c(c23)cccc3 -MOL_01_004034,C1CNCCN1c2ccc(c(F)c2)NC(=O)COC(O)c3cc(C)ccc3F -MOL_01_004035,c1ccccc1C2NC(O)N(CC2=O)c3ccccc3 -MOL_01_004036,c1ccccc1C2NC(CC(=C23)CNCC3=O)c4ccccc4 -MOL_01_004037,O=C(F)c1cc(ccc1)-c2nn(C)c(n2)NC3CCOCC3 -MOL_01_004038,Cn1cccc1N2CCN(CC2)CC(O)Nc3ccc(CC(F)(F)F)cc3 -MOL_01_004039,Fc(n1)nc(F)c(c12)c3c(cc2)nn(c3)Cc4cccnc4 -MOL_01_004040,Cc1nc(C)c(F)c(n1)NC(O)(O)c2ccc(N)cc2 -MOL_01_004041,Fc1cnc(cc1)CCC(=O)Nc2ccc(F)cc2C(F)O -MOL_01_004042,CCCn(c1=O)ccc(n12)cnc2O -MOL_01_004043,c1ccncc1C(=O)NC/C=C/CN2CCN(CN2)c3cccc(F)c3F -MOL_01_004044,Cc1cccc(c12)cc(cc2O)-c3ccccc3N4C=CC(C(=O)F)CC4 -MOL_01_004045,c1cccnc1CCc2nc(O)c(C)c(n2)Cc3c(F)cccc3F -MOL_01_004046,O=C(F)c1cncc(n1)CC(CC23)CC(CC2)N3Cc4ccccc4 -MOL_01_004047,C1=CC=C1/C=C2\C(N)CC(=O)C(=C2)c3ccccc3C -MOL_01_004048,Fc1c(F)cc(cc1O)CC2NCOc(c23)cc(F)c(F)c3 -MOL_01_004049,c1cc(F)cc(c12)NC(O)C2CNc3ccccc3 -MOL_01_004050,Fc1nccn1-c2cc(ccn2)CNC(F)(F)N3CCCC(F)C3 -MOL_01_004051,CCc1ccc(cc1)CNC(O)CCNC(F)(F)c(c2)ccc(c23)n(C)c(c3)O -MOL_01_004052,O=Cc1ccc(cc1)Nc2ncn(F)c2-c3ccccc3 -MOL_01_004053,Cn(c1)cc(c12)cc(nc2F)NC(=O)c3ccc(C(F)(F)F)cc3 -MOL_01_004054,c1ccccc1N2N=C(CCC2=O)C(F)Nc3ccc(NF)nc3 -MOL_01_004055,c1cccc(c12)nc(n2C)NC(O)NNC(=O)c3ccc(F)cc3F -MOL_01_004056,CCNCCCC(O)CCCc(c1)ccc(c12)NC(C2)O -MOL_01_004057,c1ccccc1NC(O)NC(C(=O)F)Cc2ccc(cn2)N(CCF)CCF -MOL_01_004058,c1cccc(c12)nc(n2C)CC(O)NNC(O)c3ccc(F)nc3 -MOL_01_004059,Fc1ccccc1C(O)CCc2cc(O)c(C)c(O)c2C -MOL_01_004060,c1ccccc1N(CN=C2O)C23NCN(CN3)C4CNCNCN4c5ccccc5 -MOL_01_004061,Fc1ccc(cc1)-c2cc(C(=O)N)ccc2CCc3ccccn3 -MOL_01_004062,c1ccccc1C(O)CCc(n2)cnc(c23)cc(F)cc3F -MOL_01_004063,CNC(O)N(C1)CCc(c12)ncc(F)c2 -MOL_01_004064,Cc1ccc(F)c(c1)N2CCN(CC2)C(O)N3CCN(CC3)c4nc(F)cc(F)n4 -MOL_01_004065,c1cc(N)ccc1C(O)(O)c(c2C(=NC3)CN=C3C)ccc(c24)cccc4 -MOL_01_004066,C1CNN1CC(=O)CCc(c2)ccc(c23)c4c(c(c3)O)n[nH]c4 -MOL_01_004067,c1cnccc1C(O)Nc2cccc(n2)-c3ccc(F)nn3 -MOL_01_004068,Fc1ccccc1CNC(NF)c2ccc(nc2)Nc3c(F)c(F)cc(F)c3F -MOL_01_004069,n1cccc(c12)cccc2NC(=O)Nc3ccc(F)cc3C(=O)F -MOL_01_004070,Cc1ncc(cn1)CN2CCCC(C2)C(O)Nc3ccc(cc3)-n4ccnc4F -MOL_01_004071,C1CNCC1NC(F)c(c2)ccc(c23)NNCN3Cc4ccccc4 -MOL_01_004072,Fc1cnccc1-c2cc(NC(O)CC)cc(c2)-c3ncccc3F -MOL_01_004073,c1cnccc1C(=O)NC(F)Nc2cccc(c23)c(F)cc(n3)F -MOL_01_004074,Fc1ccccc1CN2CC(CCC2=O)C(O)NCCc3nc(F)cc(F)n3 -MOL_01_004075,C1=CCNCC1C(O)CCc(c2)ccc(c23)NCC3 -MOL_01_004076,NNCC(=O)c1cc(ccc1N)-c2ccccc2 -MOL_01_004077,Fc1ncc(F)cc1C(O)CNC(O)N(F)c2ccncn2 -MOL_01_004078,Cn1cnc(c1C=O)-c2ccccn2 -MOL_01_004079,C1CNCCN1C(=O)c(c2)ccc(c23)cc(cc3)Nc4ccc(C(F)(F)F)cc4F -MOL_01_004080,c1ccc(c12)c([nH][nH]2)C(O)(O)c3ccccc3 -MOL_01_004081,CCC1(C)C(C1)c2ccc(O)cc2O -MOL_01_004082,c1ccccc1C(O)c(c2)ccc(c2=3)=C(C(=O)C3)NC(O)Cc4ccccc4 -MOL_01_004083,NCC(C1)Cc(c12)c3c(c(c2)N)c(C)cc(c3)N4CCCNC4 -MOL_01_004084,C1=NCNCC1c(c(c2C)C(=O)C3=C=C3)cc(c24)cccc4 -MOL_01_004085,Cn1c(F)cc(c1F)C(O)CNC(O)c2cccnc2F -MOL_01_004086,CN/N=C(\F)c1ccc(cn1)-c2cncc(n2)-c3ccc(nc3)/C(F)=N/CF -MOL_01_004087,Cc1ccc(cc1)NC(O)c2nccnc2C(O)Nc3ccc(C)cc3-c4ccncc4 -MOL_01_004088,OC1CCC(=O)N1C(CF)C(=O)NCC2CCCCC2 -MOL_01_004089,CCCC(F)CNc1ncc(C(F)O)c(n1)Nc2cccc(C)c2 -MOL_01_004090,Fc1ccc(cc1)Nc2nc(F)nc(c23)cccn3 -MOL_01_004091,c1ccccc1C(=O)NCC(=O)CCC(O)NC(O)NC2CCCCC2 -MOL_01_004092,c1ccncc1C2(CC(C)C(=O)C2)CCc3cccc(c34)cccn4 -MOL_01_004093,CNc1nc(F)c(cc1NC)C(O)Nc2ccncc2 -MOL_01_004094,c1nc(C)cn(c12)c(c(n2)Cl)C(O)OCc3ccccc3 -MOL_01_004095,C1CNc(c12)ccc(c2)C(O)CCNc(c3)ccc(c34)CCC4 -MOL_01_004096,CCc1ccc(cc1NC)CNC(=O)CNc2nc(F)c(F)nc2F -MOL_01_004097,CNCc1cnc(O)n1-c2ccccc2Cc3ccccc3 -MOL_01_004098,O=C1CC(NF)C(O)c(c12)ccc3c2ccc(F)c3 -MOL_01_004099,CNc1ccc(cc1C)-c2cc(O)cc(c23)cc(NC)cc3CF -MOL_01_004100,Cc1cc(nc(F)n1)NCCCCn2ccnc2C(Cl)C -MOL_01_004101,c1cccc(c12)nc(F)cc2C(O)NCc3ccccc3 -MOL_01_004102,c1ccccc1CC2NCC(CN2)C(O)c3cccc(c3)C(F)(F)C4=CCCCC4 -MOL_01_004103,FCNC(F)NC(F)c1ccc(cc1)-c2ccc(nc2)Nc3ccc(cc3)NCNF -MOL_01_004104,O=C(C)c(n1)cc(O)c(c12)c3c(cc2)cc(C(F)O)cc3O -MOL_01_004105,OC(O)CCc1c(ON)cc(OC)cc1CCc2ccc(CN)nc2 -MOL_01_004106,CNC(O)Nc1ncccc1C(=O)NCc2ccccc2 -MOL_01_004107,c1ccccc1C(O)C2=C(F)C(CN=C2)Nc3cccc(c34)cccc4 -MOL_01_004108,Cc1cc(O)c(c(F)c1)C(O)CCc2ccc(F)c(F)c2 -MOL_01_004109,Fc1nc(F)cc(F)c1CNC(=O)c2cn(cn2)Cc3ccccc3 -MOL_01_004110,Cc1ccc(cc1)C(O)(O)C(CC2(O)O)=C(C2)C(C)O -MOL_01_004111,c1ccnc(c12)nc(NCCF)n2CCNO -MOL_01_004112,CNc1ccc(cc1)NC(=O)NC(F)Nc(n2)nc(F)c(c23)ccc(F)c3 -MOL_01_004113,CC(=O)C(O)C1CCC(CC1)C(=O)c2cc(C)ccc2F -MOL_01_004114,Fc1ncc(cc1)C(O)Nc2ncccc2N3CCNCC3 -MOL_01_004115,O=C(F)C1CC(F)CN1C(=O)Cc2ccccc2Nc3c(F)cccc3F -MOL_01_004116,N1CCNc(c12)cc(NC(=O)CC)c(c2)C(O)c3ccccc3 -MOL_01_004117,COc1c(NC)cc(cc1CC)/C=C/C(O)Cc2cccc(F)c2 -MOL_01_004118,FC(F)(F)c1cnc(nc1NC)Nc2ccn(c2F)C(C)(C)CN -MOL_01_004119,FC(F)Cc1c(CF)cc(cc1CF)/C=N/N2CCN(CN2)c3cccnn3 -MOL_01_004120,Fc1cnc(cc1)C(O)NC(O)Nc2ccc(cn2)N3CCCC3 -MOL_01_004121,CCCNC1CC(=N1)c2cc(cc(c2)C3C=C3)-c4ccc(C)c(c4)CC(C)N -MOL_01_004122,N1CCCc(c12)ccc(c2)-c3cc(ccc3)-c4ccc(cc4)C5CNCN=N5 -MOL_01_004123,Fc1cccc(c1)C(F)Nc2ccc(cc2)NCc(n3)cc(F)n(c34)cc(n4)F -MOL_01_004124,FC(F)CNC(=O)C1(F)CCCN1C(O)c2ccncc2 -MOL_01_004125,c1cnccc1-c2cn(C)cc2CNc3ccn(c3)CC4CCCN4 -MOL_01_004126,Oc1cc(F)c(nc1C(F)O)-c2ccccc2 -MOL_01_004127,C1CCCCN1C(=O)NCC(=O)N2NCCC2c3ccccc3 -MOL_01_004128,FCCCC(=O)c1c(F)c(F)c(F)c(F)c1C(O)OCCCl -MOL_01_004129,OC(F)C1CCN(CC1)c2ccc(cn2)C(F)(F)O -MOL_01_004130,CC#CCNC(O)c1cccc(c12)nc3c(n2)ccc(F)c3 -MOL_01_004131,c1ccccc1NC(F)NNc2c(cccc3)c3nc(c24)nccc4 -MOL_01_004132,Cc1cc(F)cc(c1)NC(O)c2cnc(nc2C)N3CCN(C)CC3 -MOL_01_004133,FCc1ccc(nc1F)CNc2cnc(F)c(c23)cc(NF)cc3 -MOL_01_004134,CNc1ccc(nc1)C(=O)n2cnc(c23)cccc3 -MOL_01_004135,NCN(CF)CN(O)NCC1(CCNCC1)c2ccccc2 -MOL_01_004136,c1cccc(c12)c(F)cc(c2)C(=O)Cc3cc(ccc3)C(F)(F)C4CN=NCN4 -MOL_01_004137,CCC(=O)Nc1ccc(nc1)CC(N)Cc2nc(C)cc(n2)C -MOL_01_004138,c1cccc(c12)C(=O)C(C2O)CC(=O)Cc3ccccc3 -MOL_01_004139,Cc1cc(C(F)(F)F)nc(n1)NCC(=O)Nc2ccc(F)cc2F -MOL_01_004140,Fc1nc(cc(F)c1)NC(O)N2CCN(CC2)c3cccc(c34)cccc4 -MOL_01_004141,CNC(O)c1ccc(c(F)n1)-c2cc(F)cc(F)c2F -MOL_01_004142,FNCNc1cc(ccc1C(F)O)-c2ccc(cc2)CNCNCC(F)c3cccc(F)c3 -MOL_01_004143,CCc1ccc(c(c1)CC)N2C(O)CCC2O -MOL_01_004144,C1CNCCN1c(nc2O)nc(c23)c4c(cc3)cccn4 -MOL_01_004145,NNC(=O)c1nccc(c12)nc3c(n2)ccc(c3)NF -MOL_01_004146,C1CNCCC1CNNC(F)CC(F)c2nc(cccc3)c3c(c24)cccc4 -MOL_01_004147,FC(N1)C(O)c(c12)cc3c(c2)NCN3 -MOL_01_004148,C1=NCC=C1c2ccc(cc2N)-c3cccc(c3)Cc4ccc(NC)cc4 -MOL_01_004149,c1ccccc1C(C(S)N2)c(c23)cccc3 -MOL_01_004150,C1CNCCN1C(=O)Nc2cccc(c2)-c3cc(nc(F)n3)-c4ccccc4 -MOL_01_004151,C1CC1C(Cl)NC(=O)Cn2nc(Cl)nc2-c3ccccc3 -MOL_01_004152,FCc(cc1)cc(c12)c(cc(n2)C)NNCc3ccc(F)nc3 -MOL_01_004153,Fc1ncc(cc1F)C(O)(O)Nc2cc(Cl)cc(Cl)n2 -MOL_01_004154,NNc1cccc(c1)C2C(F)NCN2Nc3cccc(F)c3 -MOL_01_004155,OCCNC1CCC(NC1)CCc2cc(=CC=C3)c3c(c2=4)C=CC4 -MOL_01_004156,Cc1ccnc(n1)NC(F)(F)c2ccc(nc2)NC(O)Cc3ccc(F)cc3 -MOL_01_004157,FCc1ccc(cc1NF)CCc2cnc(F)c(c23)cncn3 -MOL_01_004158,c1cccc(c12)ccc(c2)NCC(=O)NNCc(c(F)n3)cc(c34)cccc4 -MOL_01_004159,NNc(nc1)cc(c12)ccc(c2)C(CN34)C(CC3)OC4 -MOL_01_004160,CN(C1)CC1(CC)n2cc(c(c2)C(F)O)Nc3ccccc3 -MOL_01_004161,NC1CCCCN1c(c2O)cnc(c23)ccc(F)c3 -MOL_01_004162,FC(F)N1CCN(CC1)C(=O)CC2CCN(CN2)c3cnc(CF)cn3 -MOL_01_004163,NC(O)C(N1)Cc(c12)cccc2 -MOL_01_004164,CCc1ccccc1NC(O)CNc2cccc(c23)ccc(n3)F -MOL_01_004165,c1cnccc1C(=O)N(CC2)CNC23CN(C3)Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4 -MOL_01_004166,c1ccncc1CCC(O)c2cc(c(NCF)cc2F)CN3CCNCC3 -MOL_01_004167,C1CCCCCC1/C(=C\C2O)C(O)CCCc(c23)cccc3 -MOL_01_004168,CCc1ccc(cc1CN)C(C(=O)F)N2CCC(NC2)C3CCCC3 -MOL_01_004169,C1CCCCN1C(NN)c(c2)ccc(c23)CCN3 -MOL_01_004170,CN1CCC(CC1)c2ncc(cn2)-c(c3)cc(O)c(c34)cccc4 -MOL_01_004171,FCCN1C(O)/C(NC1O)=C/c(c2)ccc(c23)NCC3 -MOL_01_004172,c1ccccc1N(C2(F)F)C2C(=O)Nc3cccnc3F -MOL_01_004173,C1CNCNN1C(=O)C2CCC(=O)N(C2)Cc3ccc(F)cc3 -MOL_01_004174,CNc1cc(CN)ccc1C2CN=C(C2)c3ccccc3 -MOL_01_004175,OCc1cc(F)c(cc1OC)NC(=O)c2cccc(Cl)c2 -MOL_01_004176,C1CC1c2cc(cn2C)CNC(=O)C3CCCNC3 -MOL_01_004177,FCCNC(O)c(c1Cl)nc(C)c(c12)ccc(c2)Cc3ccc(OC)cc3 -MOL_01_004178,Fc1ccccc1-c2cc(C(F)O)c(cc2)NCCNCCCNCF -MOL_01_004179,FNc1cnc(cc1F)C(=O)/C=C/c(c2)cnc(c23)cccc3 -MOL_01_004180,CCCc1cc(CCC(C)O)ncc1OC(=O)c2ccccc2 -MOL_01_004181,Cc1cc(NC)cc(c1)C(=O)C2CCC(CC2)C(O)CCC -MOL_01_004182,CC(C)Cc1nc(NC(C)C)cc(n1)C(F)O -MOL_01_004183,FC(F)(F)c1cc(F)ncc1NC(O)C2CCN(CC2)c3ncccn3 -MOL_01_004184,n1cccn(c12)ccc2C(O)Nc3ccccc3-c4ccccc4 -MOL_01_004185,CCOC(=O)c1nc(n(C)c1C)CC(F)COc2ccccc2 -MOL_01_004186,O=C(F)C1(CCl)CCCN(C1)C(O)c2cnc(F)c(F)c2 -MOL_01_004187,c1cnccc1C(O)NCC(N2)N(C)c(c23)ccc(c3)CCC(=O)NN -MOL_01_004188,CNC(N)(N1)CN(C12)Cc3c(C2)cccc3 -MOL_01_004189,CCN(CC)C(O)Nc1cc(C(O)CCF)c(F)nc1F -MOL_01_004190,CCNC(=O)C1=C(C)NC(O)NC1CCC(=O)CCc2ccc(CC)cc2 -MOL_01_004191,c1ccnc(c12)c3c(cc2)nc(O)c(c3)C(O)NCc4cccc(F)c4 -MOL_01_004192,OC(F)c1ccc(cc1)-c(c2)cc(n23)ccc(c3)C(F)O -MOL_01_004193,NCc1ccc(cn1)CCNC(=O)c2ccc(cn2)CC3CCNCC3 -MOL_01_004194,O=Cc1cc(O)n(c1F)-c2cc(Cl)ccn2 -MOL_01_004195,CCCCCOCc(n1)nc(O)c(c12)c(CF)cc(c2)O -MOL_01_004196,Fc1ccccc1C(O)c(c2)c(O)nc(c23)ccc4c3cccc4 -MOL_01_004197,O=C(F)Cc(c1F)cnc(n12)nc3c2cccc3 -MOL_01_004198,c1cccnc1CCN(C)C2CCCN(C2)C(O)(O)c3ccc(F)c(F)c3 -MOL_01_004199,OC(Cl)c1ccccc1OCC(O)Nc2cccc(F)c2N3CCOCC3 -MOL_01_004200,Oc1cccc(c1)CC2CCC(O)C2 -MOL_01_004201,FC(F)c1ccc(cc1)/C=N/Cc2cc(C3CCNCN3)cc(c2)N4CCNCC4 -MOL_01_004202,Cc1ccc(C(F)C)c(c1)OCCN(C(=O)C2(F)F)C(N2)O -MOL_01_004203,COC(F)NC(O)c1cccnc1Nc2ccc(cc2)Nc3ncccn3 -MOL_01_004204,c1cccc(c12)nc(nc2C)NC(F)NC(=O)Nc3cccc(F)c3 -MOL_01_004205,Nc(n1)c(N)nc(c12)cc(C(F)N)cc2CNCc3ccncc3 -MOL_01_004206,CNc1c(CN)cc(cc1NC)-c2cc(ccc2N)-c3ccccc3 -MOL_01_004207,c1ccccc1CCc2ccc(cn2)C(=O)Nc3ccc(F)cn3 -MOL_01_004208,c1ccccc1C(N)(N)c(c2N)cc(c(c23)cccc3)-c4ccccc4 -MOL_01_004209,Cc1ccc(cc1)N2C(=O)CC(C2O)NC3CC3 -MOL_01_004210,OC(Cl)/C=C/c1nccc(c12)C(O)CCC2 -MOL_01_004211,CNc1ccc(cn1)C(C(F)F)NCc2cccc(c2)NO -MOL_01_004212,N1CCCNC1Cc2ccc(cc2)-c(c3)cc(CC4CN4)c(c35)c(F)c(N)cc5 -MOL_01_004213,O=C(O)c(c1)ccc(c12)c3c(ccnc3)c(c2)Nc4ccccc4F -MOL_01_004214,c1cccnc1CNc2c(F)cc(cc2F)-c3ccnc(c3)N4CCNCC4 -MOL_01_004215,CC(C)(N)C(N)NC(=O)c1ccc(cn1)CCc2ccccn2 -MOL_01_004216,OC1NC(O)NC(O)C1=C(C)NCc(c2)ccc(c23)CCN3 -MOL_01_004217,c1ccccc1-c2ccc(cc2)-c3ccccc3C(O)(O)C4CNCCN4 -MOL_01_004218,Fc1cccc(c12)c(F)cc(n2)C(O)Nc3ccc(F)cc3 -MOL_01_004219,CCc1ncc(F)cc1NC(O)C(=O)NC2CCCCCC2 -MOL_01_004220,OC(O)CNCC(=O)NC1(CC1)c2cccc(F)c2 -MOL_01_004221,Cn1cnc(n1)C(F)N2CCCC(C2)c3nc(F)n(n3)C -MOL_01_004222,CN(C)CCNC(O)c1cc(c2c(c13)cccc3)c4c(n2C)cccc4 -MOL_01_004223,OC(F)c1cc(cc(F)c1F)Cc2cc(F)c(F)c(n2)C(F)O -MOL_01_004224,CNc(c1)ccc(c12)nc(F)cc2NNCc3ccc(C(Cl)O)cc3 -MOL_01_004225,c1ccc(C)c(c12)c(ccc2)CCC3=CCC(NC3)C(N)c4cccc(N)c4 -MOL_01_004226,Cc(c1)ccc(c12)nc(c(F)c2)NCCNC(F)c3ccncc3 -MOL_01_004227,FCc1ccccc1C(=O)C(O)c2cn(nn2)Cc3ccccc3 -MOL_01_004228,CNc(c1)ccc(c12)NCC(C2)C(O)NCc3ccc(CF)cc3 -MOL_01_004229,C1#CCCCC1N(C(F)C)C(=O)CCc2ccc(CN)cc2 -MOL_01_004230,O=C1NC(O)NC1Cc2ccc(cc2)Cc3cnccn3 -MOL_01_004231,c1ccncc1CCCCC(=O)C2NCCCN2N(F)Cc3ccc(F)cc3 -MOL_01_004232,CCC(=O)CC1C(=O)NCCN1/C(F)=N/c2ccccc2 -MOL_01_004233,FCc1ccc(cc1)Nc2nccc(n2)C(NCl)c3ccccc3F -MOL_01_004234,NC(N)C/N=C/Cc1ccc(cc1)-c2ccccc2 -MOL_01_004235,CN(C)CCCCNC(O)c1cccc(c12)c3c(cn2)cccc3 -MOL_01_004236,FCNCNNC(O)c(n1)ccc(c12)cc(cc2)Nc3ccc(NF)cc3 -MOL_01_004237,c1ccccc1C(=O)NCC(O)CCc2cc(CN)c(CN)c(c2)CN -MOL_01_004238,Fc(c1)c(C)cc(c12)NC(=O)C(CN2)NC(O)/C=C/c3ccccc3 -MOL_01_004239,c1cccc(c12)NC(N2)C(CN)c3ccnc(n3)NCCc4ccc(F)cc4 -MOL_01_004240,C1CCCCN1c(c(F)c2)cc(c23)c(C(C)(C)C)cc(c3O)C(F)O -MOL_01_004241,CNc1ccc(cn1)NC(O)CCc2ccc(NC(F)F)nc2 -MOL_01_004242,CN1CCN(CC1)CCC(O)N2CC(C2)Cc3ccc(cc3)NC(O)N(C4)Cc(c45)ccnc5 -MOL_01_004243,FNC(O)CN(CC(F)O)Cc1ccc(cc1)-c2ccccc2 -MOL_01_004244,CNc1cc(CN)cc(c1)CC(C2O)C(=O)c(c23)cccc3 -MOL_01_004245,c1ccccc1C2CC(O)=C(C2O)C(=O)Cc3ccccc3 -MOL_01_004246,Fc1cc(ccc1)-n(n2)c(O)c(c23)cccn3 -MOL_01_004247,FNN1CCNN1c(n2)cc(F)c(c23)ccc4c3ccnc4 -MOL_01_004248,c1cnc(n12)nc(cc2O)Cn3cnc(c34)cccc4 -MOL_01_004249,Fc1ccnc(c1)NC(=O)c2cc(ccn2)Cc3cncnc3 -MOL_01_004250,C1CC1C(O)NC2CCN(CC2)C(O)c3cnc(NC(F)F)c(F)c3 -MOL_01_004251,C1CC1C(C)CC2ON2c3ncn(n3)CC(=O)N4CCCCCC4 -MOL_01_004252,Fc1ccc(cc1)CN2CCC(CN2)C(F)Cc3cc(CC)cc(n3)CN -MOL_01_004253,CCc1ccc(cc1NCN)C(CCF)c2ccc(NC)c(c2)NC(F)C(F)F -MOL_01_004254,C1CNCC1(CF)NC(=O)c2ccn(c2)-c3ccccc3F -MOL_01_004255,Cc(c1)ccc(c12)CC(N)N3C2CNC3 -MOL_01_004256,FC(F)(F)Cc1ccc(cc1)Nc2nccc(n2)NCCN3CCCCC3 -MOL_01_004257,Fc1ccccc1NC(O)Nc2cccnc2-n3c(F)ccc3F -MOL_01_004258,NCc1ccc(cc1)-c2ccc(nc2)C(F)NC(C(=O)F)C(F)F -MOL_01_004259,FCCC(=O)c1ccc(cc1)-c2ccc(O)nc2O -MOL_01_004260,Cn1cccc1C(O)NCC(=O)N(COCF)c2cccnc2 -MOL_01_004261,CC(O)c(c1)ccc(c12)n(c(c2)O)CCO -MOL_01_004262,c1ccccc1-c(c2)ccc(c23)c4c(cn3)c(F)cc(c4)NCC5CNCNC5 -MOL_01_004263,Fc1ccc(cn1)C2CC(NC(F)(Cl)Cl)NCCN2 -MOL_01_004264,n1cccc(c12)cccc2C(O)CCN3CCNCC3 -MOL_01_004265,OC(F)c1ccc(cc1)/C=C2\CCCNC2c3cnccn3 -MOL_01_004266,c1ccccc1-c(c(F)c2)c(c(c23)cccc3)Nc4ccc(cc4)CNCNCC5C=NCCN5 -MOL_01_004267,Fc1c(F)nc(n12)c(ccc2)NCc3ccccn3 -MOL_01_004268,N=CC(O)NC(C=1)=CC(C12)=CC(=CC2=N)c3ccccc3 -MOL_01_004269,Nc1cccc(c12)C(CN2)C=C=CO -MOL_01_004270,FNc1cc(C(=O)F)c(NCCF)cc1N2CCCCCC2 -MOL_01_004271,c1ccccc1C2NC(O)Nc(c23)ccc4c3ccc(F)c4 -MOL_01_004272,C/C(O)=C\C(N)(C(O)C1)c(c12)cccc2 -MOL_01_004273,FC(F)NC(NF)c1ccc(F)nc1Nc2ccc(F)c(F)c2 -MOL_01_004274,CNc1nn(NCF)c(N(F)F)c1Nc2cc(F)cc(F)c2 -MOL_01_004275,Fc1ncc(cc1F)C(F)C(O)NCc2ccc(C(F)(F)F)nc2 -MOL_01_004276,Oc(n1)ccc(c12)cc(c(c2)NCl)CCC(F)F -MOL_01_004277,NC1CCC(N1)c2cccc(c2)C(F)(F)N -MOL_01_004278,CCc1c(NC)cc(cc1CC)NC(O)CC(O)c2ccc(C)cc2 -MOL_01_004279,Oc(c1)ccc(c12)C(=O)C(O2)Oc3cccnc3 -MOL_01_004280,Fc1ncccc1CNCc2cc(CN)c(cc2)CC(=O)Nc3cnc(CF)cn3 -MOL_01_004281,N1CNc(c12)ccc(c2)C3CC(=O)CC(C3)c4ccccc4-c5ccccc5 -MOL_01_004282,CCc1cncc(CC)c1CC(F)NCC(c2cnccn2)N3CCCCC3 -MOL_01_004283,CNc1ccc(cc1)Cn2cnc(c2)CCc(c3)ccc(c34)ccc(n4)F -MOL_01_004284,CN1CCN(CC1)c2cc(O)nc(c2)-c3ccn(C)c3 -MOL_01_004285,ClCCNC(O)c1cc(F)nc(c12)cccc2 -MOL_01_004286,NC(N)N1CCC(NC1)Oc2ccc(cc2)CNc3ccccn3 -MOL_01_004287,NCc1ccccc1CC(O)CC(C2(O)O)c3cccc(c3c24)ccc4 -MOL_01_004288,CCC(CC)C(O)(O)c1ccc(C)c(c1)OCO -MOL_01_004289,CNCCCC(O)C(C(C)=C1)=c(c12)cc3c(c2)=C(C(=C3)C)C(O)CCCN(F)F -MOL_01_004290,Oc1cc(F)ccc1CC(O)CCc2ccccc2 -MOL_01_004291,OCC(O)Nc1ccc(cc1)C(O)(O)N2CCN(CC2)c3ccccn3 -MOL_01_004292,Fc1cc(ccc1)C(=O)Nc2cncc(n2)Nc3cncc(F)c3 -MOL_01_004293,FCC1(CF)NC(=O)C(N1)c2ccccc2F -MOL_01_004294,Cc1cccc(F)c1N(C(O)CF)Cn2cccn2 -MOL_01_004295,c1ccccc1C(O)(O)Nc(c2)cc(c3c24)CC(O)C3CC4 -MOL_01_004296,c1ccccc1CCC(O)c2cc(c(NC)cc2NN)C3NCN(C)CN3 -MOL_01_004297,NNC(F)c1cc(ncn1)Nc2cccc(c23)cncc3 -MOL_01_004298,CNc1cc(C2(C(F)(F)F)CN2)ccc1/C=C/C(=O)F -MOL_01_004299,Nc1cc(ccn1)CNc2ccccc2C(O)Nc(c3)ccc(c34)CC(F)(F)C4 -MOL_01_004300,CCc1ccc(N(F)C)cc1NC(=O)CCC(=O)c2ccc(NC(=O)F)cc2 -MOL_01_004301,C1CNNCN1C(C2O)=Cc3cccc(c3c24)ccc4 -MOL_01_004302,NCc1cn(cn1)CCn2c(N(F)F)cnc2CCc3ccccc3 -MOL_01_004303,C1CCCC1CC(O)N2CCN(CC2)c3ccc(cn3)-n4ccnc4 -MOL_01_004304,Fc1ccc(cc1)CN2CCC(C2O)NCc3cncn3Cc4ccc(CF)cc4 -MOL_01_004305,CCCc1ccc(c(c1)C(C)O)NC(O)c2ccc(F)nc2 -MOL_01_004306,CC1(C)N(C)C(C)(C)C(C1)C(O)Cc2ccccc2C(=O)F -MOL_01_004307,NCc1ccc(c(c1)ON)C(=O)CCc2ccccc2C(F)(F)F -MOL_01_004308,C1CNCN1CC(F)c2c(F)c(F)c(cc2)CCNCNCc3cc(N(F)F)ccn3 -MOL_01_004309,c1cccc(c12)c(C3=CNNC3)c(cc2)C(N)(N)c4ccc(NN)cc4 -MOL_01_004310,NCc1nc(CF)cc(F)c1NC(F)c2cccc(C(F)(F)F)c2 -MOL_01_004311,NNc(c1)cccc1-c(c(c23)ccc(C)c2)c(cc3)C(N)(N)c4ccc(CN)c(C)c4 -MOL_01_004312,C1CCCc(c12)ccc(c2)C(=O)Cc3ccc(cn3)C(O)NCc4cncnc4 -MOL_01_004313,OC(F)c1ccc(cc1)C(C2(O)O)=Cc(c23)ccc(c3)C(F)O -MOL_01_004314,Fc1ccc(cc1)-c2cc(NCF)c(nc2)Nc3cccc(F)n3 -MOL_01_004315,OC(F)CNCNc1ccc(nc1)-c2ccccc2NC(F)(F)F -MOL_01_004316,NCc1ccccc1-c(c2)ccc(c23)ccnc3CNc4ccccc4 -MOL_01_004317,Fc1cc(F)c(F)cc1C(O)Nc2cccc(c23)cccn3 -MOL_01_004318,NCc(c1)ccc(c12)nc3c2c(F)c4c(c3F)ccn(c4)CNC(O)CF -MOL_01_004319,CC(O)Cc1ccccc1NCC=C=CCN -MOL_01_004320,Nc1cnc(nc1)NCc2cc(O)nc(c23)ccc4c3nccc4 -MOL_01_004321,OCNCCC(c(c12)ccc(F)c2)C(O)CN=C1c3ccc(F)cc3 -MOL_01_004322,O=C(F)c1ccc(cc1)NC(F)(F)c2ccc(cn2)C(O)Nc3ccccc3 -MOL_01_004323,Fc1ccc(cc1F)C(O)Nc2ccc(cc2)C3CCCNC3 -MOL_01_004324,COc1ccc(C(C)O)c(F)c1CCNC(F)Oc2ccc(F)cn2 -MOL_01_004325,c1ccccc1CC(C(=O)F)NC(=O)NCCc2ccc(F)cc2 -MOL_01_004326,C1CCCc(c12)ccc(c2)NC(O)CNc3cc(F)cc(F)n3 -MOL_01_004327,FCc1c(NC)cc(cc1CC)C(O)NCCN2CCCC2 -MOL_01_004328,CNc1cccc(c1F)/C=N/c(n2C)nc(c23)cccc3 -MOL_01_004329,Fc(n1)cc(F)c(c12)c(F)nc(n2)NNc3ccccc3 -MOL_01_004330,FN(F)c(c1)ccc(c12)C(NC2O)Nc3cccc(F)c3 -MOL_01_004331,CNc1nc(NF)ncc1-c2ccc(N)nc2 -MOL_01_004332,FC(F)c1ncccc1NC(F)NCCN2CC2NCc(nc3)cc(c34)cccc4 -MOL_01_004333,OC(F)c1cccnc1N2CCCNCC2 -MOL_01_004334,CN(C)C1(C(N)N)NC(F)c(c12)cccc2 -MOL_01_004335,CN(N)CCNN(F)c1cccc(c12)nc3c(n2)c4c(cc3)ccnc4 -MOL_01_004336,CCNC(=O)Cc1ccc(F)cc1C(=O)Nc2ccc(F)c(F)c2 -MOL_01_004337,Cc1ccc(c(C)c1)NC(=O)c2cc(C(F)O)ccc2F -MOL_01_004338,c1ccccc1C(O)C2CC(=NC2)c3ccc(c(O)c3)-c4cccc(N)c4 -MOL_01_004339,CCc1cc(CN)cc(c12)cc(O)c(c2F)CCC(=O)CCF -MOL_01_004340,O=C1CCNC(O)N1CC(O)N(CC2)CCC2(CF)c3ccccc3 -MOL_01_004341,C1CCC1Nc2nc(Cl)c(F)c(n2)N3CCC3 -MOL_01_004342,CC1=C/C(=C\O)C(C)=C1c2cc(C(O)O)ccc2C -MOL_01_004343,Fc1ccc(cc1)NC(C(=O)CN)Nc(n2)nc(O)c(c23)cccc3 -MOL_01_004344,c1cccc2c1cc(c(c23)N=CC3=O)NCc4ccccc4 -MOL_01_004345,CCNc1nc(nc(n1)NCF)CCCNC(=O)CNc2ccc(F)cc2F -MOL_01_004346,Cc1c(N)cccc1C(=O)NCCCNC(=O)c2cccc(F)c2F -MOL_01_004347,CNc1cnc(C(C)C)cc1CC(F)NCC(F)N/C=C(\C)c2ccccn2 -MOL_01_004348,Fc1ccccc1C(=O)NNC(O)C2C#CCN(C2)c3ncccn3 -MOL_01_004349,C1OCOCN1C2(CCC(F)CC2)c3cnccn3 -MOL_01_004350,N1CNCNC12C(CC(O)N2)NCc3ccc(F)c(F)n3 -MOL_01_004351,CNc1c(N)nc(F)nc1NCCCCc2ccc(cc2)NCCCF -MOL_01_004352,FC(F)(F)c1cc(ccc1)C(=O)CC(CCN)CNc2ncc(C(F)(F)F)cc2F -MOL_01_004353,C1C=CCCC1N(C)C(O)CCCCc(c2)ccc(c23)nc(O)cc3O -MOL_01_004354,Cn1ccnc1CN(CCF)C(O)c(c2)cnc(c23)cccc3 -MOL_01_004355,Cc1cc(O)cc(O)c1C2C=CC(C)C2 -MOL_01_004356,Cc1cccc(c1)C2NC(O)CC2=O -MOL_01_004357,CCc1cc(NC)c(F)cc1C(O)NC2CN(C)CCN(CF)C2 -MOL_01_004358,Cc1cc(N)c(cc1C)CC2=CCC(CC2)C3=CC(N)C=C3 -MOL_01_004359,Fc1ccc(cc1)NC(C(F)CF)Nc(n2)nc(F)c(c23)cccc3 -MOL_01_004360,C1CCCC1N2CC(CC2=O)C(O)NCc3ccc(F)cc3 -MOL_01_004361,O=C1CCC(N1CCl)C(O)NCc2ccccc2 -MOL_01_004362,COc1cc(CCO)ccc1NCCCc2cn(nn2)Cc3ccc(C(F)(F)F)cc3 -MOL_01_004363,CCc1ccccc1N2CCN(CC2)CCC(C(=O)C3(C)C)C(=O)CC3 -MOL_01_004364,c1cccc(c12)c(F)nc(n2)C(O)c(c3)cnc(c34)cccc4 -MOL_01_004365,FNCC(=O)c(n1)cn(c12)cc(cc2)Nc3ccc(F)cc3 -MOL_01_004366,Cn1nc(NF)cc1C(O)NC(CF)c2ccc(C(F)(F)F)cc2 -MOL_01_004367,C1OC(O)Nc(c12)ccc(n2)Nc3cccc(F)c3 -MOL_01_004368,c1ccccc1CC(C(N)O)c2cc(CN)c(CN)c(c2)NC -MOL_01_004369,CCc1c(CN)cc(cc1CC)-c2ccc(F)c(c23)CC(C3)CN -MOL_01_004370,Cn1cnc(c12)nc(F)nc2CCc3ccccc3 -MOL_01_004371,N1CNCNC1c2ccc(cc2F)C3=NC(C(F)F)CC3F -MOL_01_004372,FN(F)c1ccc(cc1)C(O)c(c2)ccc(c23)n(CF)c4c3cncc4 -MOL_01_004373,Cn1cccc1/C=C(/CN)c2ccncc2 -MOL_01_004374,Nc1ccccc1C(O)NCC(c2ccc(F)cc2)C3CCCCC3 -MOL_01_004375,n1cccnc1NCc2ccc(cc2)CNc3cccc(n3)N4CCCC4 -MOL_01_004376,OC(Cl)c(nc1)cc(c12)Cc3c(N2)cccn3 -MOL_01_004377,NNc1ccc(cc1)C2N=C(Cc(c23)cc(NF)cc3)c4ccncc4 -MOL_01_004378,CCc1ccc(cc1)C(=O)Nc2cc(F)ccc2C(O)CC -MOL_01_004379,NNC(F)C1NNCN1C(F)(F)c2ccc(cc2)Nc3ccc(F)cc3 -MOL_01_004380,C1NNCNC1N(C)C(O)Cc2c(ccc(c23)cccc3)CNCN4C=NCC4 -MOL_01_004381,Nc(n1)ccc(c12)ccnc2OCc3cnc(F)cn3 -MOL_01_004382,NCc(c1)c(CN)cc(c12)CC(C2)C(O)c3cc(ccc3)C(N)(N)C4=CCCN=C4 -MOL_01_004383,CC(C)C(O)Nc1ccc(cc1CC)NC(O)CCc2cnc(F)nc2 -MOL_01_004384,OC(F)c(nc1)cc(c12)n3c(cc2)nc4c3cccc4 -MOL_01_004385,NCc1cccc(c1)Cc2c(F)c(CN)c(F)c(F)c2C(=O)O -MOL_01_004386,Cc1cc(O)cc(O)c1F -MOL_01_004387,c1ccccc1Nc(c2)c(NN)cc(c23)C(CNN3)Cc4ccccc4 -MOL_01_004388,FCCNCCNc1cccc(c12)C(O)c3c(C2O)cccc3NCCNCCF -MOL_01_004389,N1CCc(c12)ccc(c2)C(F)NC(=O)Nc3ccccc3F -MOL_01_004390,FC(F)Nc1ccccc1CCC(=O)C(CCC)CC(C)O -MOL_01_004391,Fc1ccc(cc1)C(F)CCCn2cnc(n2)-c3cccnc3 -MOL_01_004392,FNc1cccc(n1)Nc2cnc(cn2)C(NF)NCc3ccccc3F -MOL_01_004393,C1OC12c3c(CCO2)c(cc(F)c3)CC4NCCN4 -MOL_01_004394,CCCC(=O)C(=O)Nc1cc(C(=O)C)cc(c1)CC(=O)C(O)CCC -MOL_01_004395,N1=CCCc(c12)cccc2C(=O)CNC(Cl)CC3=NCCCC3 -MOL_01_004396,O=C(F)Nc1ccc(cc1)NC(=O)c2nc(ncc2F)NCc3ccccc3F -MOL_01_004397,C1=CC=C(C12)C(O)=C(C(C)C)C(=O)C=2CC(O)Nc3ccccc3 -MOL_01_004398,FCNCn1cnc(c12)C(F)CN=CN2 -MOL_01_004399,c1cncnc1CN(C)Cc(c(n2)O)cc(c23)ccc(F)c3 -MOL_01_004400,Fc1ccc(nc1F)CC(O)N2CCNCC2N(F)N(F)F -MOL_01_004401,OC(O)c1cc(CF)c(nc1O)N2CCCC2 -MOL_01_004402,Fc(c1)ccc(c12)CC(=O)C2CCC(O)Nc3ccc(F)cc3F -MOL_01_004403,Fc1ccc(F)c(c1)CNc2ccc(F)c(c2)C(F)NCNc3ccccn3 -MOL_01_004404,CC(C)CCCOc1ccc(nc1)Nc2ncnc(n2)-c3ccnnc3 -MOL_01_004405,c1ccccc1-c2nc(C)cn2CC(=O)NC3CCCC3 -MOL_01_004406,c1ncnn1Cc2cc(ccc2NC)CN3CCN(CC=C(F)F)C(C3)CCF -MOL_01_004407,FNC(O)C(F)(F)NCc1ccc(cc1)-c2ccccc2 -MOL_01_004408,c1cccc(c12)C(=O)CC2CC(=O)NNC(O)c3ccc(F)cc3 -MOL_01_004409,NCc1cc(F)c(cc1C(F)F)-c2cc(C(F)F)c(NN)cc2F -MOL_01_004410,OC1N(C)C(=O)N(C)C(O)C1=C(C)Nc(c2)ccc(c23)CCC3 -MOL_01_004411,NNC(O)c1ccc(NF)c(c1)NC(F)c2ccc(F)cn2 -MOL_01_004412,CN(F)c1cccc(c1)NNNN(F)C2CN(C(=O)N2)c3ccc(F)cc3 -MOL_01_004413,OC(N1)NCc(c12)cc(cc2)Nc3cnccc3C(F)(F)F -MOL_01_004414,c1ccccc1-c2nnc(n2C)NCC(F)NCC(O)Nc3ccccc3 -MOL_01_004415,OC(F)CCc(c(F)n1)nc(c12)cc(Cl)c(Cl)c2 -MOL_01_004416,NC(F)(F)c1ccc(cc1)CNCC(F)c2ccc(F)c(c2)C(F)(F)C3NCNNNN3 -MOL_01_004417,FNc1ccc(cc1)C(CC(=O)F)NCN2CCN(CC2)c3cccnc3 -MOL_01_004418,FCc1ccccc1C(=O)NCCNC(O)c2ccc(Cl)nc2 -MOL_01_004419,CCC(C)Nc1nc(F)c(C(F)F)c(n1)NC2CCCCC2 -MOL_01_004420,FC(O)c(c1)c(F)nc(c12)cc3c(c2O)ccc(c3)C(F)O -MOL_01_004421,C1NCNC1C(C=O)(C2)CCc(c23)cccc3 -MOL_01_004422,Cc1nc(F)cc(F)c1NCC(=O)CCCNC(O)c2cccnc2 -MOL_01_004423,c1ccccc1N2CC(NC2=O)CNc3ccc(C(F)F)cc3 -MOL_01_004424,NC(=O)c1ccc(c(c1)C(Cl)O)NCC(=O)Nc2ccc(F)cc2 -MOL_01_004425,FN(F)c1ccc(cc1)C(F)NCCC(O)Nc2cccc(c2)C(F)(F)N3C=CNCC3 -MOL_01_004426,Fc1cc(F)ccc1NC(=O)CNC(O)c2cnc(F)cn2 -MOL_01_004427,c1ccccc1CC(N)Nc2cccc(c2)-c3cccc(c3)C4=NCN=N4 -MOL_01_004428,c1ccccc1C(C(F)O)Nc(c2)ccc(c23)nccn3 -MOL_01_004429,CCc1ncnc(C2CCOCC2)c1CCc3cnc(F)cn3 -MOL_01_004430,CNc1ccc(cc1NC)NC(O)Nn2cnc(n2)-c3ccccc3F -MOL_01_004431,Fc1c(F)cc(F)nc1C(O)Nc2ccc(C(F)(F)F)cc2 -MOL_01_004432,Cn1cc(F)c(c1F)C(O)N2CCN(CC2)C(O)CC3CCCCC3 -MOL_01_004433,CCc1ccc(cc1CC)N2C(=O)CNCC2O -MOL_01_004434,CNc1ccccc1Cc2ncccc2C(N)O -MOL_01_004435,Fc1ccc(cc1)-c2cnc(F)n2CNCn3c(cnc3F)-c4ccc(F)cc4 -MOL_01_004436,Fc1ccc(cc1)C(O)NCCN2CCN(CC2)c3cnc(F)cn3 -MOL_01_004437,CN1C#CN(CC1)c2ncc(c(F)n2)C(=O)Nc3ccc(CF)cc3 -MOL_01_004438,CCc(c1)cc(F)c(c12)c(O)c3c(c2)cc(NC)c(F)c3CCCC(O)CNC -MOL_01_004439,c1ccccc1CN2CCN(CC2)C(F)NCNCc(nc3)cc(c34)CCN4 -MOL_01_004440,Cc1ccccc1-c2ccccc2NC(NC34)N(N3)CCN4 -MOL_01_004441,CNc1ncnc(c1CO)Nc2cccc(C(F)(F)F)c2 -MOL_01_004442,NCc1ccccc1CNC(O)Cc2c(F)nn(c2F)-c3ccccc3 -MOL_01_004443,OC(F)C1(CC1)CC(=O)Nc2cc(C(F)(F)F)ccc2-c3ccccc3 -MOL_01_004444,Fc1ccccc1NC(O)c2nc(ncc2F)NCc3ccccc3F -MOL_01_004445,FC(O)c(c1)c(CC)cc(c12)c(ncc2)CCC3CCC(=O)N3 -MOL_01_004446,c1cccc(c12)c(cc(c2)C)C(O)NCC(=O)CCc3ccccc3 -MOL_01_004447,Cc1ccc(cc1)NC(Cl)CNCC(C2=O)=C(O)C=C(C2=3)C=CC3 -MOL_01_004448,Fc1cc(cc(F)c1)C(O)(O)C2CCN(CC2)c3ncccn3 -MOL_01_004449,CCc1cc(CC)nc(n1)Cc2cccc(c23)c(C)nnc3F -MOL_01_004450,NC(=O)CNc(c1F)c(N)nc(c12)cccc2 -MOL_01_004451,C1CCNCN1CNCc(c2)c(NN)cc3c(c(c4)N)c(cc5c4c23)ccc5 -MOL_01_004452,c1ccccc1CNNC(=O)c2cccc(F)c2NC(=O)C(F)(F)F -MOL_01_004453,OC(C1)CCc(c12)nc(F)nc2F -MOL_01_004454,CCN(CC)C(F)(F)c1ccc(c(c1)N(F)C)NNC(F)c2ccncc2 -MOL_01_004455,CNc1ccc(NN)c(c1)-c2cc(-c3ccc(C)cc3)cc(c2)C4CNC(NC4)Cc5ccccc5 -MOL_01_004456,FC(F)c1ccc(cc1C)C(=O)NC(=O)Nc2cccc(c2)NC(O)C(C)C -MOL_01_004457,CC(C)(C)NC(O)CNc1ccc(cc1CC)CNCc2ccccc2 -MOL_01_004458,OC(F)c1ccc(nc1)Nc2nccc(n2)Nc3ccc(F)cc3F -MOL_01_004459,Cc1cccnc1-c2ccc(cc2)C(=O)Cc3ccccn3 -MOL_01_004460,FC1(O)NC(NC)Cc(c12)ccc(F)c2 -MOL_01_004461,FNc1ccccc1C(O)Nc2ccc(nc2)Nc3cccc(F)c3 -MOL_01_004462,OC(F)c1ccc(cc1)CNn2c(F)cnc2-c3cccnc3 -MOL_01_004463,FC(F)c1cc(ccc1)CCC(=O)Nc2ccccc2C(O)NCC(F)F -MOL_01_004464,c1cccc(c12)c(O)c(c(c2)O)-c3cccc(c3)C(O)NCC(CN)NC -MOL_01_004465,N1CCCNC1c2cnc(cc2)NC(O)Nc3ccc(cc3)C4NCCCN4 -MOL_01_004466,c1nccc(c12)nc(F)n2CCN3CCNCC3 -MOL_01_004467,Fc1ccccc1NC(=O)c2cc(cc(N(F)F)c2)C(O)Nc3ccccc3F -MOL_01_004468,c1cccc(c12)C(=O)C(C2O)CCNCN3CCC(CC3)Cc4ccccc4 -MOL_01_004469,CC(F)(F)c1ccc(cc1)CCNC(=O)c2ccc(F)cn2 -MOL_01_004470,OC(F)C(C)Nc1ccc(cc1)Nc(n2)cnc(c23)cc(cc3)N(F)O -MOL_01_004471,CNc1ccc(cc1)-n2cccc2NCC(=O)NCCc3ccc(NC)c(c3)NC -MOL_01_004472,CCc1ncccc1CN(C2)CC(CNC3)C23CNc4cccnc4 -MOL_01_004473,FC1CNC(CN1)Nc2ccc(F)c(c2)-c3cccc(c3)NCc4ccncc4 -MOL_01_004474,c1cccc(c12)c3c(cc2O)c(O)nn3-c4cccc(F)c4 -MOL_01_004475,OCC(O)NC(CNF)c(n1)cnc(c12)cccc2 -MOL_01_004476,CC(=O)CCCc1cc(CN)c(ON)cc1C(C)O -MOL_01_004477,c1cccc(c12)C(C(N)CCC)c3c(C(=C2)O)cccc3 -MOL_01_004478,CC(C)(C)NCC(Cl)CCc1cccc(c12)NC(N2)O -MOL_01_004479,FC(F)(F)C(=O)CNCNCCc1ccc(nc1)-c2ccccc2 -MOL_01_004480,Fc1ncc(cc1)C(O)N2CCC(CC2)Nc3cccc(C(F)(F)F)c3 -MOL_01_004481,CC(Cl)NC(O)c1nc(ccc1F)-c2ccccc2 -MOL_01_004482,c1cccc(c12)NC(C2O)Cc3ccc(cc3)CCNN -MOL_01_004483,CCn1cnc(c12)C(F)CNCN2 -MOL_01_004484,N1=CC(C)=C(C1=2)C(O)=C(F)C(N2)=O -MOL_01_004485,FC(O)c1cccc(c12)C(O)C(\C2)=C/c3ccc(F)c(F)c3 -MOL_01_004486,FCC(O)c1c(F)cccc1NCCCNc2ccc(F)cc2 -MOL_01_004487,c1ccccc1NCCNn2ccnc2-c3cn(cn3)C4NCNCN4 -MOL_01_004488,c1cncn1C(NC(C)(N)N)C(CF)c2ccc(F)cc2 -MOL_01_004489,Cc1ccc(C)c(c1)NC(O)CN2C=CN(C(O)=C2O)c3ccc(F)cc3 -MOL_01_004490,Nc1ccc(cc1)C(F)C2=NCC(C=N2)Cc(c3)ccc(c34)NCC4 -MOL_01_004491,OC(F)c1c(F)ncnc1NCc2cccc(F)c2F -MOL_01_004492,Cc1ccc(cc1)C(O)NC(CC(=O)CF)c2ccccc2 -MOL_01_004493,CN(F)c1ccc(c(c1)N(F)C)NC(C(F)O)Cc2ccc(F)cn2 -MOL_01_004494,FCN(C)C(O)Nc(c1)ccc(c12)CNC2N(F)CCF -MOL_01_004495,c1ccccc1-c2cc(C(O)NC)c(cc2)CCNC3C=CCCN3 -MOL_01_004496,FNNC(O)c1cc(ccc1F)NCc2cc(F)ncc2F -MOL_01_004497,FCC(=O)NC1CCC(NC1)c2ccc(F)cn2 -MOL_01_004498,O=C1C=CC=C1CC(O)C(Cc2ccccc2)Nc3ccccc3 -MOL_01_004499,C1=CCc(c12)c(CC(N)N)cc(c2C)C3CC=C(CC3)C(O)CCC -MOL_01_004500,CCCc1cc(ccc1NC)C(O)NC(F)c2cccc(CF)c2 -MOL_01_004501,Fc(c1)cnc(c12)nc(nc2F)OCc3ccncn3 -MOL_01_004502,O=C1NC(O)NC1c2ccc(cn2)CCC(F)F -MOL_01_004503,CNc1ccc(cc1)CC2=NC(NCC2)c3cccc(c34)cc(cc4)C5CC=NCC5 -MOL_01_004504,c1ccccc1-c2cc(ccc2C)CC(O)(O)c3ccc(CN)c(c3)NC -MOL_01_004505,CCc1cnc(F)c(c1)C(NC2)NC2(F)C(=O)F -MOL_01_004506,Fc1nc(F)cnc1C(=O)Nc(c2)ccc(c23)ccnc3 -MOL_01_004507,CN(C)CCCNc1ccc(cc1)C(N2C(F)O)Nc(c23)cccc3 -MOL_01_004508,COc1cc(C(C)O)ccc1CC(=O)Cn2ccnc2O -MOL_01_004509,O=C(F)N1CCC(CC1)c2cnc(cn2)NC3CCNCN3 -MOL_01_004510,FC(F)(F)C(=O)Nc1ccc(cc1)C(F)Nc2ccncc2C(F)NF -MOL_01_004511,CCc1ccccc1Cc(cc(c23)cncc3)c(c2)CNC(=O)NCc4ncccc4F -MOL_01_004512,FC(F)c1ccc(cc1)CCC(O)Nc2ccc(cc2)C3CCNC3 -MOL_01_004513,c1ccccc1CC(N)(N)CCC(=N2)C(O)CC2(c3ccccc3)c4ccccc4 -MOL_01_004514,NCCNc1ccccc1-c(c2F)c(cc(c23)cccc3)NC4CC=NC=N4 -MOL_01_004515,Fc1cc(F)ccc1C(O)NC2CCN(CC2)Cc3ccccn3 -MOL_01_004516,FC(F)C(F)NCC(CF)CNn1cnc(c12)c(F)nc(n2)F -MOL_01_004517,C1N=CCNc(c12)cc(N)cc2NC3CC=C(CN3)Cc4ccccc4 -MOL_01_004518,CNCc1cnc(nc1)C2CC(C2)Oc3ccc(nc3)C(F)NC(F)O -MOL_01_004519,NCc(nc1)cc(c12)nc3c(c2O)c(F)cc(F)c3 -MOL_01_004520,CN(F)c1nc(CF)ccc1NCCc2ccccn2 -MOL_01_004521,CCNC(O)NCC(c1ccccn1)c2ccc(O)cc2 -MOL_01_004522,Fc1ccc(cc1)C(NC(O)CF)c(c2F)ccc(c23)cccn3 -MOL_01_004523,CCCNC(O)c1ccc(cc1)NC(=O)C(C=2)=CC(C23)=C(C=C3C)C4CCCCC4 -MOL_01_004524,Cc1ccc(cc1)CC(C(=O)F)c2cc(CN)c(NC)c(c2)NC -MOL_01_004525,c1ccccc1C(O)C(NC2)NCC23CC(N3)c4ccccc4 -MOL_01_004526,Nc1ccc(cc1C)NCCNc2cc(ccc2N(F)N)N3CCN(C)CC3 -MOL_01_004527,CC(F)(F)C(C)NC1=C(F)C(F)=C1NC(F)c2ccc(NN)cc2 -MOL_01_004528,CNc1ccc(cc1)-c2cc(nc(F)n2)-c3ccnnc3 -MOL_01_004529,c1ccccc1-c2cc(-c3ccccc3)cc(c2C(O)NCN)Cc4ccc(CN)cc4 -MOL_01_004530,C1CCCCC1NC(=O)C(CNC)NC(O)c2ccccc2 -MOL_01_004531,CC(O)c1cccc(c12)ccc(n2)C(O)O -MOL_01_004532,CCc1ccc(cc1)NC(=O)C2CCNCC2CCc3ccccc3 -MOL_01_004533,c1ccccc1CCNNNNc2ccc(cc2)N3CCNCC3CNc(c4)ccc(c45)cccc5 -MOL_01_004534,c1cccc(c12)NCC(N2)C3CCN(C#C3)Cc4ccccn4 -MOL_01_004535,Fc1nc(cc(F)c1)C(=O)NCC(O)OCC(O)N2CCCOC2 -MOL_01_004536,FNC(F)c1ccc(F)nc1Nc2cc(F)c(F)cn2 -MOL_01_004537,FCNCNc1nccc(n1)C(NF)C(N2)Nc(c23)cccc3 -MOL_01_004538,c1ccccc1CNC2=C(O)C(O)=C2c3ccc(cc3)C4=CCCC=C4 -MOL_01_004539,Oc1ccc(cc1F)NC(O)C2CCN(CN2)c3ncccn3 -MOL_01_004540,NNc(cc1)ccc1C(c(c23)cccc2)c4c(CC3(N)O)cccc4 -MOL_01_004541,CCc1ccc(cc1)NC(=O)NNC2CCc(c23)cc(NC)c(c3)NC -MOL_01_004542,CCC(=O)/C(C(=O)C)=C/c1ccc(cc1)C(O)CC -MOL_01_004543,CCCCCNC(O)Cn1ccc(nc1=O)NC(O)NCc2ccccc2 -MOL_01_004544,n1cnccc1CC(C(CC2)CCC2C(C)C)C3CCCc(c34)nccn4 -MOL_01_004545,NC1NCCNC1C2=CCC(=CC2)C(=O)c3ccccc3 -MOL_01_004546,c1cccc(C(O)N2)c1CNC23CCN(C3)Cc4cccnc4 -MOL_01_004547,c1cccnc1C(C)NC(O)CCC(=O)c2ccccc2F -MOL_01_004548,FC(F)(F)c1nc(nc(c1)C(F)(F)F)C(O)Nc2cnccc2-c3ccccc3 -MOL_01_004549,O=C(F)c1cccc(c1)CNCNCC2c(cccc3)c3c(c24)cccc4 -MOL_01_004550,Cc1ccc(cc1F)NC(O)c2cn(cn2)CCCNCC3CCCN3 -MOL_01_004551,c1nnc(n12)c(cc(n2)O)OC(C3)Cc(c34)cccc4 -MOL_01_004552,CC(O)c1ccccc1NCCNc2ncc(C(F)(F)F)cc2F -MOL_01_004553,CNc1cc(ccc1N)CNC(F)NCCc2cc(NC)c(F)c(n2)CN -MOL_01_004554,NN1CCC(NC1)NC(=O)c2ccc(C(F)(F)F)cn2 -MOL_01_004555,Fc1cc(ccc1)N2C(O)C(O)N(CC2)Nc3ccc(F)cc3F -MOL_01_004556,Fc1cnc(cn1)NC(=O)NCCN(C2O)C(O)c(c23)cccc3 -MOL_01_004557,c1ccccc1-c(c2)c(C(N)C(C)C)cc(c23)cc(cc3)C(F)O -MOL_01_004558,C1CCCCC1C(O)CNCCc(c2)ccc(c23)NCC3 -MOL_01_004559,FNc1ncc(F)cc1C(O)NCCc2ccc(cc2)C(F)CN(F)O -MOL_01_004560,Fc1ncc(cc1)C(=O)NCCN(C2O)C(O)c(c23)cccc3 -MOL_01_004561,c1ccccc1-c2cc(ccc2O)-c3ccc(nc3)NC4CCN(CC4)C5CCC5 -MOL_01_004562,c1cnccc1N(C)C(O)c2ccc(=O)n(c2)Cc3ccc(F)cc3 -MOL_01_004563,Fc1cnc(cc1)OC(OCC2)C(O)c(c23)cccc3 -MOL_01_004564,FC(F)Nc1cc(ccc1)NC(=O)CNc2nnc(C(F)F)n2CCF -MOL_01_004565,Cc1ccc(cc1)C(O)CNC(=O)CC(C=2)=CC(=O)C(C23)=CC(=C3)C4=CCNN4 -MOL_01_004566,Nc1ccccc1CNC2C(N23)c4c(C3)cccc4 -MOL_01_004567,c1ccccc1NC(C2=O)=C(C=C(C2=3)C=CC3)CCC(=O)CNc4ccccc4 -MOL_01_004568,Fc1ccc(cc1)N2CC(O)N(C2O)Cc3ccc(F)cc3 -MOL_01_004569,C1CNCC1Nc2nc(O)cc(n2)Nc3c(F)cccc3F -MOL_01_004570,FC(F)(F)c1cc(ccn1)C(F)CNCc2ncccc2C3CCOCC3 -MOL_01_004571,CCC(CC)C(O)N1CC(C1)Nc2ccc(cc2)NC(F)N(C3)Cc(c34)ccnc4 -MOL_01_004572,CN(C)c(c1)ccc(c12)cc(O)c(N(F)N)c2N3C#CCCC3 -MOL_01_004573,c1cccc(c12)cccc2NC3CNC(=O)C(=O)N3CNc4cc(C(F)(F)F)cc(C(F)(F)F)c4 -MOL_01_004574,FCNCCC(O)CC(C1=O)=CC=C(C1=2)C=C(C2)c3ccccc3 -MOL_01_004575,c1ccccc1C(C)(N)NCC(=O)c(c2)ccc(c23)cccc3 -MOL_01_004576,FCc1cc(CF)cc(c12)c(CNC)c(c(F)c2)NCC(F)NCNC3NCNCN3 -MOL_01_004577,c1ccccc1C(O)C(CN2CCNNC2)Nc3ccccc3 -MOL_01_004578,OC(O1)C(=O)c(c12)cccc2Cl -MOL_01_004579,CNc1ccc(cc1)NC(F)(O)CCc2c(CN)cc(CN)cc2NN -MOL_01_004580,CC(C)c1ccc(cc1)CNNC(O)c(c2)cnc(c23)cccc3 -MOL_01_004581,CNc1ccc(cc1)/C=C/C(=O)c2cncc(c23)cccc3 -MOL_01_004582,c1ccccc1C(O)(O)C2CCN(CN2)c3ccc(F)cc3 -MOL_01_004583,C1NCCC(C)=C1CC(=O)NC(c2ccccc2)c3ccccc3 -MOL_01_004584,c1cccc(c12)c(cn2C)OCC(O)O -MOL_01_004585,Fc1cnc(cc1F)Nc2ncnc(n2)-c3cccnc3 -MOL_01_004586,FC(F)NCNC(O)c(c1F)cnc(c12)ccc(c2)CF -MOL_01_004587,c1cncnc1C(C)CNc(n2C)nc(c23)cccc3 -MOL_01_004588,NC(=O)C1CNC(N1)c(n2)ccc(c23)cccc3F -MOL_01_004589,NCc1cncc(c1)CCCc2ccnc(c23)cc(F)cn3 -MOL_01_004590,C1CCNCN1C(O)c2cccc(c2)Cc3cnc(N(F)F)cc3F -MOL_01_004591,Fc1ncc(cc1)NC(O)Nc2ccc(cc2F)C3CNCCN3 -MOL_01_004592,CC(O)N1CCC(CC1)c2nccnc2C3CC(C3)c(c4)ccc(c45)cccc5 -MOL_01_004593,c1ccccc1CCNc2ccc(c(O)c2)-c3ccc(cc3)CNCC4CNCN4 -MOL_01_004594,c1cccc(c12)nn(c2O)C(=O)NCc3ccc(F)cc3 -MOL_01_004595,c1ccccc1CCC(=O)NCC(O)NCCc2ccccc2 -MOL_01_004596,NCc1ccccc1C(O)CNC(O)c2nc(F)ccc2F -MOL_01_004597,CCCc1cc(O)cc(c1)OCC(O)C(F)(F)F -MOL_01_004598,c1cccc(c12)C(Cl)C(CC2=O)C3CNCNC3 -MOL_01_004599,CNc1nc(F)cc(n1)CCc2ccc(F)c(c2)NC -MOL_01_004600,CNc1ccc(cc1)CC2CN(C(O)N2)Cc3cccnc3 -MOL_01_004601,Fc1cnc(cc1)C(O)CNc2ccc(F)cn2 -MOL_01_004602,C1=CC=CC1=NCCNc(c2)cc(CN)c(c23)CNCC3 -MOL_01_004603,O=C(N=1)N=c(c12)ccc(c2)C(=O)Nc3ccc(C(=O)F)c(F)c3 -MOL_01_004604,Oc1cnc(cn1)-c2cc(c(F)nc2F)-c3cnc(O)nc3 -MOL_01_004605,O=C1NCCc(c12)c(ccc2)C(F)CC(Cl)O -MOL_01_004606,c1ccccc1CNC(=O)N2CCN(CC2)c3cncc(F)c3 -MOL_01_004607,Nc1ccccc1CN(CN2)CNC23CC(=O)C(N3)c4ccccc4 -MOL_01_004608,CNc1cc(NC)cc(c1)CC(CN2)=Nc(c23)cc(CN)c(c3)CN -MOL_01_004609,n1cccnc1C(NCF)NCNCN2CCN(CC2)c3cccc(C(F)(F)F)c3 -MOL_01_004610,N1=CC(N)C=NC1Cc(c(c23)cc(CC)c(c2)CN)cc(c3)C4CNCCN4 -MOL_01_004611,O=C(F)c1ccc(nc1)NCCc2cccn2-c3ccccc3 -MOL_01_004612,C1CCCCC1NC(=O)CNc2nnc(n2F)-c3ccc(F)cc3 -MOL_01_004613,c1ccccc1-c2cccc(c23)ccc(c3)C4CNNNN4 -MOL_01_004614,Fc(c1)ccc(c12)nc(F)cc2NNCc3cccc(N(F)F)c3 -MOL_01_004615,Cc(c1)cc(C)c(c12)cc(-c3ccccc3)cc2C(O)CCCO -MOL_01_004616,CN(C)CCNC(O)N(Cc(c12)cccc2)C1Nc3ccncc3 -MOL_01_004617,Fc1ccc(cc1)NCc2n(CC=O)c(nc2)NCc3ccc(CF)cc3 -MOL_01_004618,CNc1nccn(c12)c(cn2)Cc3ccc(F)cc3 -MOL_01_004619,FC(F)c1cnc(cn1)NC(=O)NCc2ccc(NC(F)F)nc2 -MOL_01_004620,CCCc(c1)cc(CN)c(c12)CC(CC2O)c3ncccn3 -MOL_01_004621,CNC(O)c1cccc(c1)Nc2ncnc(n2)N3CC(C3)CNc4ccccc4F -MOL_01_004622,CC(N)CCCCC(O)c1c(-c2ccccc2)ccc(c13)cccc3 -MOL_01_004623,CN(C)c(c1)c(NF)cc(c12)nc(F)c(n2)C(F)F -MOL_01_004624,Fc1ccccc1C(O)NCC(O)NNc2ncnc(F)c2N(F)F -MOL_01_004625,FC(F)N(C1O)C(=O)c(c12)ccc(c2)C(F)O -MOL_01_004626,Oc1c(F)cc(C(F)(F)F)cc1CC(O)NCNc2ccc(F)cc2F -MOL_01_004627,Fc1cccc(c1)NC(c2cncnc2)C3CCNCC3 -MOL_01_004628,c1ccccc1C(O)CNc2nc(F)c(F)n2Nc3ccccc3 -MOL_01_004629,Fc1ccc(cc1)CNCC(=O)Nc2cc(ccc2F)C(O)N3CCCC3 -MOL_01_004630,Cc1cc(C(=O)F)c(O)c(c12)cc(F)c(c2)N3CCN(C)CC3 -MOL_01_004631,N1CNC1Nc2c(C)c(O)cc(c2)CC3=C=CCN=CC3 -MOL_01_004632,CCc1ccccc1C(=O)NCC(=O)NC(O)NC2CCCC2 -MOL_01_004633,Nc1ccccc1CCC2NCCN2C(=O)C3CC3 -MOL_01_004634,Oc1ccc(F)cc1C(O)CC(F)C(O)O -MOL_01_004635,O=CCc1cc(cnc1F)NCCCF -MOL_01_004636,NCc1ccccc1C(NC(=C2)C=C3)CNC(Cl)C/C=C\23 -MOL_01_004637,NCCNc1n(C)cc(c12)ccc(c2)C(F)N -MOL_01_004638,C1NCCc(c12)ccc(c2)C(C(=O)O)N3CCC(CC3)C4CCNCC4 -MOL_01_004639,O=C1C=CC(O)N1c2ccc(cc2)C(O)COc3ccc(F)cc3 -MOL_01_004640,FC(F)(F)C(F)NC(=O)c1ccc(cn1)CCc2ccccc2F -MOL_01_004641,Cn1cc(F)c(F)c1C(O)NNC(=O)NC2CCCCN2 -MOL_01_004642,Fc(n1)cnc(n12)ncc2C3CCC(CC3)CCCC4CCCNC4 -MOL_01_004643,CC(O)Cc(c1)ccc(c12)C(=O)NC(C2=O)O -MOL_01_004644,c1ccccc1C(O)C(C=C2)=C(C2=3)NCN3 -MOL_01_004645,CNc1nccc(n1)C(CF)C(N2)Nc(c23)cccc3 -MOL_01_004646,C1CCCC12CC(=O)N(C(=O)C2)CCN(C)CC3ON3c4cc(F)ccc4F -MOL_01_004647,Fc1ccc(cc1)OC(F)C(=O)NC(C(=O)F)c2cccnc2 -MOL_01_004648,Fc1ccc(cc1)C(=O)C2CC(N)C(=N2)c3ccc(F)c(F)c3 -MOL_01_004649,Cc1ccc(cc1)NCC(=O)C2CNCN2CC3C=CCN3 -MOL_01_004650,Nc1ccccc1-c2cc(N)ccc2-c3ccc(cc3)C4CNCN4 -MOL_01_004651,c1cnccc1C(=O)NC2CCN(NC2)Nc3ccc(F)cc3 -MOL_01_004652,c1ccccc1Cc2ccc(cc2O)-c3cccc(c3)C4CNCN4 -MOL_01_004653,c1ccccc1NC(C(F)CCCC(=O)C)CNc2cc(C(F)F)ccc2C -MOL_01_004654,c1cccc(c12)NC(C2O)Cc3cccc(N)c3 -MOL_01_004655,Fc1cc(ccc1)CNC(O)C2CCN(CC2)C(F)(F)Cc3ccccn3 -MOL_01_004656,FCNNC(C(O)NC)c1cnccc1Nc2ccccc2 -MOL_01_004657,Fc1cc(C(F)(F)F)nc(n1)N(C2)CCN(C23)CNC3 -MOL_01_004658,NCc1ccc(cc1)C(N(C(F)(O)O)CC2)c(c23)ccc(c3)CF -MOL_01_004659,Cc1cc(O)nc(c1)Oc2cc(ccn2)OC(=O)c3c(O)cccc3F -MOL_01_004660,CN(C)c1cccc(c12)C(O)c3c(C2O)cccc3 -MOL_01_004661,CNc1ccccc1CNC(O)C(C2)CCc(c23)cccc3 -MOL_01_004662,NCc1cn(c(O)nc1=O)-c2cccc(C(F)(F)F)c2 -MOL_01_004663,CCN(CF)CCNC(O)CCn1cc(ccc1=O)-c2ccc(F)cc2 -MOL_01_004664,NCc(c1)c(NC)cc(c12)ccc(c2)CN(CC3C=CN=C3)C(F)Cc4ccccc4NC -MOL_01_004665,FC1(N)CCC(F)(N)c(c12)cc(C(=O)F)cc2 -MOL_01_004666,Cc1ccc(cc1)C2C(O)=C(CC2O)Cc3ccccc3 -MOL_01_004667,c1ccnn1C(CF)C(O)NCc2nc(F)cc(n2)C(F)(F)F -MOL_01_004668,CCOC(O)c1cc(c(C)nc1C)NC(O)Nc2cnccc2CC -MOL_01_004669,c1ccccc1C(O)C2=C(O)C(O)c(c23)cccc3 -MOL_01_004670,CC(C)CCCC(=O)C(C(F)(F)C)NC(=O)c1cc(F)cc(F)c1 -MOL_01_004671,c1ccncc1NC(O)C2CC=C(C2)c3ccccc3F -MOL_01_004672,Fc1ccc(cc1F)C(=O)NC2CCNCC2F -MOL_01_004673,CC(C)C(=O)OC(C1)CCc(c12)ncc(c2)CN -MOL_01_004674,Fc1cc(F)cc(c1)Nc2nncc(c23)ccc(n3)F -MOL_01_004675,C1CCCCN1CCNc(c2)c(NC)cc(c23)CC(C3O)Cc4ccccc4 -MOL_01_004676,OCCN(N)Cc1ccc(CF)c(c12)nccc2 -MOL_01_004677,N1=NCNc(c12)cc3c4c(cc(c(c4)NF)NC)c5c(c3c2)CN6N(C5)CCC6 -MOL_01_004678,n1cccc(c12)cccc2C(O)Nc3ccc(Cl)cc3 -MOL_01_004679,Fc1ccccc1NN(O)CCN2CCN(CC2)c3ccccn3 -MOL_01_004680,Fc1cc(cc(F)c1)C(=O)N(C(F)(F)CF)NC(O)c2ccc(CF)cc2 -MOL_01_004681,c1cccc(c12)C(CNC(N2)O)c3ccccc3 -MOL_01_004682,FC(O)c1ccc(cc1C(=O)F)CN(CC(=O)F)Cc2ccc(NC(F)F)nc2 -MOL_01_004683,NCc1ccc(cc1)C(=O)NCC(=O)Cc2cccc(c2)C(F)(F)C3NCCN3 -MOL_01_004684,CCC(C=1)=CC(C12)=CC(C)=C(C2=O)C(=O)Nc3ccc(F)cc3 -MOL_01_004685,c1cccc(c12)c(cc(c2F)CC)C(=O)CNC(F)CCc3ccncc3C -MOL_01_004686,CNc1ccc(cc1)C2=C(F)C(O)/C(C2)=C\C(O)NF -MOL_01_004687,CC(O)Nc1cccn(c12)c(cn2)C(F)(F)F -MOL_01_004688,Fc1cc(F)ccc1C(O)NCc2c(cccc3)c3nc(c24)cccc4 -MOL_01_004689,NCCC(CCN)C(C1)CCn(c12)c(cc2)C(=O)N -MOL_01_004690,Cc1cc(O)cc(c12)cc(cc2)CCC3(C)CC(O)C(O)C3 -MOL_01_004691,O=Cn(n1)cc(O)c(c12)c(CF)c3c(c2)ccc3 -MOL_01_004692,Fc1cc(F)nc(c1)CCc2cncc(c2)N3CCNCC3 -MOL_01_004693,c1cccc(c12)cc(cc2C(C)=N)C3CN=C(C)CN3 -MOL_01_004694,NCc1ccc(cc1)NC(c2ccc(F)cc2)C3C=NCCC3 -MOL_01_004695,Fc1nc(cnc1)C(O)N/C=C(\Cl)c2nc(F)ccc2F -MOL_01_004696,C1CCCN1C(COC)C(O)c(c2)ccc(c23)ccnc3 -MOL_01_004697,FNC(=O)C(CC(F)F)NC(O)NCc1cn(cn1)Cc2cncc(F)c2 -MOL_01_004698,c1ccccc1-c(c(F)c2NC)cc(c23)ccc(c3)Cc4ccc(cc4)CNCN(CN)CN -MOL_01_004699,N1CNc(c12)c(ccc2N)Nc3ccccc3CC(O)CNCC(F)N -MOL_01_004700,c1cc(F)cc(c12)cc(c(c2)O)N(C)CNc(c(n3)O)nc(c34)cccc4 -MOL_01_004701,Cc1ccc(cc1)-c2c(c3C(N)O)c3c(c24)cccc4 -MOL_01_004702,CNCCCNC(F)NC(F)(F)c1cc(N(F)F)ccc1Nc2cccc(F)c2 -MOL_01_004703,Fc1ccc(cc1)C(NC(=O)F)CC(=O)CNC(F)NC(=O)NCCO -MOL_01_004704,C#CCC(=O)N1C#CN(CC1)C(F)(F)c2cc(C(F)O)ccc2C -MOL_01_004705,c1ccccc1C(=O)NCC(O)CCC(O)c2ccc(N)cc2 -MOL_01_004706,c1ccncc1C(O)Nc2cc(ccc2F)-c3ncc(F)cn3 -MOL_01_004707,Fc1cnc(cc1)C(O)Cc(c(F)n2)nc(c23)cccc3 -MOL_01_004708,C1=CC(N)=c(c12)c=3c(cc2)C=CC(=O)C3 -MOL_01_004709,Fc1cccc(F)c1CONc(c(n2)C(F)(F)F)nc(c23)cccc3 -MOL_01_004710,C1NCN1CNC(F)c2cc(NC)ccc2NC(F)c3cccc(c34)cccc4 -MOL_01_004711,CCc1cccc(c12)c(c(c(c2)O)CCCO)NOCC(F)O -MOL_01_004712,FCc1ccccc1NC(=O)C2CNC(N2)c3ccc(CF)cc3 -MOL_01_004713,NC(N)c1ccccc1NCC(O)CC(N)c2ccccc2 -MOL_01_004714,c12c3c(C=C1)cccc3c(cc2)C(O)N4CCN(CC4)c5ncccn5 -MOL_01_004715,CCC(=O)c1cccc(c1)C(O)(O)NCc2ccccc2N(C)C -MOL_01_004716,NN(F)c1cc(cc(N(F)F)c1F)C(O)NC(F)c2cccnn2 -MOL_01_004717,c1nc(F)cc(c12)CC(N2)N3CCCNC3 -MOL_01_004718,C1CN=CN=C1c(cc2N)cc(c23)ccc(c3)Cc(c4)ccc(c45)cc(cc5N)C6CNCCN6 -MOL_01_004719,CN(C)c1ccc(cn1)NNc2ccnc(c23)cccc3 -MOL_01_004720,O=C(O)c1ccccc1/C=C/n2c(F)ccc2C3CCCCC3 -MOL_01_004721,CCC(=O)c1cccc(n1)C(O)C2CCC(CC2)c3ccccc3F -MOL_01_004722,Cn1cccc1/C=C2/NC(NC2O)Nc3ccc(F)c(F)c3 -MOL_01_004723,c1ccccc1C2=C=C(NC2)C(N)CC(O)c3ccccc3N -MOL_01_004724,C1C#CCC1C(=O)NNCc2ccnc(c23)ccc(c3)CF -MOL_01_004725,NCc1c(Cl)nc(Cl)nc1-c2ccccc2 -MOL_01_004726,Fc1ccccc1CCNC(O)c2cccn2-c3cccnc3 -MOL_01_004727,CNc1ccc(cc1)C2NCNC2C(O)(O)N(C)C -MOL_01_004728,c1ccnc(c12)cc(CO)c(n2)Cc3cnc(F)nc3 -MOL_01_004729,CNC(=O)c1ccc(c(c1)CN)CC(O)NC(=O)c2ccc(F)cc2F -MOL_01_004730,Fc(n1)nc(F)c(c12)nc(cn2)CCc3cccc(c34)cccc4 -MOL_01_004731,Fc1ccc(cc1)CCC(F)Nc2cnc(n23)NCC3 -MOL_01_004732,O=C(F)CN(C)C(O)c1cc(F)c(F)n1C -MOL_01_004733,C=1C=CC(C12)=NCc3c2ccc(c3)CNCNCNCNC -MOL_01_004734,Fc1ccc(cc1)CN2C=C(CCC2=O)C(O)NCc3ccccn3 -MOL_01_004735,c1cccc(c12)CCCC2(C)C3(C=NCCC3)CCNCCC(CN)CN -MOL_01_004736,Cc1c(F)ccc(c12)C(C(=O)C2)(c3ccc(N)cc3)c4ccc(F)cc4 -MOL_01_004737,NCc1ccc(cc1)Nc2nccc(n2)C(F)(F)c3cccc(F)c3 -MOL_01_004738,Cc1ccc(cc1)Nc2ccc(cn2)C(NF)N3CCNCC3 -MOL_01_004739,Fc1cc(ccc1)C(CC(=O)C)C(=O)c2cnccn2 -MOL_01_004740,CCc1ccc(cc1)CNc2cc(nc(F)n2)N(C)CCF -MOL_01_004741,Cc(c1)ccn(c12)c(=O)c(cn2)NC(O)CCc3ccccn3 -MOL_01_004742,N1NNC1(C=O)c(c2)ccc(c23)CC(C3)Nc4ccccc4 -MOL_01_004743,CCCCC(CF)CNC(=O)c1cc(C(F)O)cc(C(F)F)c1 -MOL_01_004744,c1cccc(c1=2)=CC(C2)NCc3ccc(CC)c(c3)-n4ccc(c4)CNCc5cccnc5 -MOL_01_004745,CNC(O)c1cnc(c(F)n1)-c2cc(F)nc(F)c2 -MOL_01_004746,CN(C)C(F)(F)c1ccc(F)c(c1)NC(F)NCCc2ccccn2 -MOL_01_004747,NCN1CNC(CN1)C(O)c2ccc(cc2)-c3ccccc3 -MOL_01_004748,Cc1cccc(F)c1NC(O)C2CN(CCN2)Cc3ccccc3 -MOL_01_004749,CC(=O)n1cc([nH]1)-c2cccc(c23)N3 -MOL_01_004750,FC(F)(F)c1ccc(cc1)NC(O)Nc2cccc(c2)C(O)Nc3cccnc3 -MOL_01_004751,c1cnccc1C(=O)CCC(O)Nc2cc(F)c(F)cc2F -MOL_01_004752,Cc1cccc(c1)CC(=N)CC(C2=O)=C(O)C=C(C2=3)C=CC3 -MOL_01_004753,FCc1cc(ccc1)NC2CC(=O)C(=CC2O)Nc3cccc(CF)c3 -MOL_01_004754,O=C1CN(C(O)N1)c2c(F)cccc2NCF -MOL_01_004755,OC1N(C)CCc(c12)nc(nc2)OCc3ccccc3 -MOL_01_004756,OC(F)c1ncc(cc1)NC(O)CCc2ccc(F)cc2 -MOL_01_004757,Nc(c1)ccc(c12)CN(CC2)C(N)O -MOL_01_004758,FCc1ccc(cn1)Nc2nccc(n2)NCc3cnccc3C(F)(F)F -MOL_01_004759,N1CCc(c12)cc(/C=N/C)c(c2)CC(O)c3ccccc3 -MOL_01_004760,CNc1cc(NF)cc(c1)C(O)Nc2ccncn2 -MOL_01_004761,CCCc1cc(ccc1CC)C(=O)NCCCN -MOL_01_004762,CNC(O)c1cc(ccn1)Nc2ccc(cc2)C(O)CCc3ccc(F)cc3F -MOL_01_004763,Fc1ccc(cc1)NCc(c2)cnc(c23)nc(F)nc3F -MOL_01_004764,Nc1cccc(c1)CCc2nccc(c23)cncn3 -MOL_01_004765,c1ccccc1C(N2CNCN2)C(O)CN3CNC(NC3)c4ccccc4 -MOL_01_004766,FCCCNC(O)c1cc(ccc1NCCC)NC(O)CN2CCCC2 -MOL_01_004767,C1CCc(c12)ccc(c2)NC(=O)CCCc3ccc(CCF)nc3 -MOL_01_004768,Cc1cccc(c1)CC(CCO)NC(C)(O)CCl -MOL_01_004769,O=c1ccn(c(n1)O)CCN(C2O)C(O)c(c23)cccc3 -MOL_01_004770,Fc1ncnc(c1)CC(=O)NC2CCN(CN2)Cc3ccc(F)cn3 -MOL_01_004771,FC(Cl)C(=O)Nc1ccccc1CC(O)C(F)F -MOL_01_004772,c1ccccc1C(=O)NC(C(F)F)C(O)c2ccc(CF)cc2 -MOL_01_004773,C1OCC1C(=O)N2CCN(CC2)C(O)c3nc(F)ccc3F -MOL_01_004774,OC(F)c1ccccc1C(O)Nc2ccc(cc2)Cn3cncc3CF -MOL_01_004775,C1=NC1N2CC(NC2=O)CN3C#CN(CC3)N(c4ccccc4)c5ccccc5 -MOL_01_004776,CCCC(=O)OCC(O)Oc1cc(C(C)O)ccc1F -MOL_01_004777,CCc1ccc(cc1CC)CCC(O)CCC(=O)NCCF -MOL_01_004778,CCC(=O)NC1OC(CN1C)c2cccc(F)c2F -MOL_01_004779,C1NN1c(c2)ccc(c23)cc(cc3)-c4ccc(cc4)-c5ccc(N)cn5 -MOL_01_004780,C1NCOc(c12)cc(nc2)C(O)OC(Cl)c3ccccc3 -MOL_01_004781,Cc1cc(F)cc(c1)NC2CN=CC2NCCCNc3cccc(C(F)(F)F)c3 -MOL_01_004782,C1NCC1(NF)CNc2cc(C(F)F)ncn2 -MOL_01_004783,CCCC(=O)C(C(O)CCC)CNc1ccc(F)c(C(=O)F)c1 -MOL_01_004784,O=C(F)C1CCCN(C1)CCNNCc2ccccc2-c3c(F)cc(F)cc3F -MOL_01_004785,CCc1ccc(cc1)NCC(C(O2)O)c(c23)cccc3 -MOL_01_004786,c1cncc(c12)cccc2NC(F)NNC(F)c3cccc(c3)-c4ccccc4 -MOL_01_004787,c1ccccc1CC(=O)CNCC(=O)Cc2ccccc2NC -MOL_01_004788,Fc1ccc(cc1F)NC(O)c2ccc(F)c(c2)CN(CF)c3cccnc3 -MOL_01_004789,CNC(O)c1ccc(cc1)Cc2cc(CC(F)CNC)cc(c2)-c3cccc(O)c3 -MOL_01_004790,FCC(F)CCNC(O)c1ccc(F)c(F)c1Nc2ccc(F)cc2F -MOL_01_004791,FCc1c(F)cc(cc1N)Cc2ccc(cc2)NC3NC(=O)NC3F -MOL_01_004792,CCN(CC)c1ccc(cn1)CCc2ccc(cc2)CC(C)NC(C)O -MOL_01_004793,C1CCCC1CN(C2CC2)C(O)Nc3cnc(cn3)-n4cncn4 -MOL_01_004794,CC(=O)CC(O)Nc1cc(CF)c(F)cc1NF -MOL_01_004795,c1cnccc1CCC(O)N2CCC(CC2)n3cnc(C(F)(F)F)c3 -MOL_01_004796,c1cccc(c12)cc(cc2CN)C3CNC(N)CN3 -MOL_01_004797,CCCNCCCCCCCCNC(C1O)CC(=O)c(c12)cccc2 -MOL_01_004798,CCC(N)c1c(C/C=C/N)cc(-c2ccccc2)cc1Cc3ccccc3 -MOL_01_004799,C=1C=CC(C12)=CC(=C2)c3ccc(cc3)/C=N/CC4NNC(=O)C4F -MOL_01_004800,Cc1cc(n(C)c(=O)n1)-c2cccc(N)c2 -MOL_01_004801,OCN(C1O)c2ccc(F)c(c2c13)ccc3 -MOL_01_004802,Cn1ccc(c1)C(O)N2CCCC(C2)Cc3cnccn3 -MOL_01_004803,CCCC1CCc(c12)cc(cc2)C(=O)Cc3cnc(cn3)C(=O)CC -MOL_01_004804,c1cccnc1C(O)N(CC)CC(=O)Nc2c(F)cccc2F -MOL_01_004805,Fc1c(O)cccc1C(=O)NCc2cccc(c23)cccc3 -MOL_01_004806,FCNc1ccc(cc1NCC)CCNC(=O)CCCc2ccc(C(F)(F)F)nc2 -MOL_01_004807,CNC1Nc2ccc(c(c2c13)ccc3)N(C)Cc4cccnc4 -MOL_01_004808,Fc1cc(ccc1)C(O)NCC(=O)NCC2CCCN2Cc3ccc(F)cc3 -MOL_01_004809,O=C(O)c(c1)cnc(c12)c(C(F)(F)F)ncc2 -MOL_01_004810,c1ccccc1-c2cc(c(F)cc2O)C(O)Nc3ccc(F)cc3 -MOL_01_004811,CCCc1cccc(c1F)/C=C2/CC(O)CC2O -MOL_01_004812,c1ncnn1C(CCN(C)C)c(c2)ccc(c23)nc(F)cc3 -MOL_01_004813,OC1CCC(O)N1c2cnc(F)nc2Nc3ccccc3 -MOL_01_004814,FC(F)(F)c1cc(cnc1)NC(O)NC2CCC(CC2)Nc3ccc(C(F)(F)F)cc3 -MOL_01_004815,OCc1ccccc1NC(O)c2ccccc2C3N=CCCN3 -MOL_01_004816,Cc(c1)ccc(c12)cc(cc2O)NNC(N)C3CNCc(c34)cccc4 -MOL_01_004817,O=CCN1C(=O)C(C(=O)N(CF)C1O)CCCc2ccccc2 -MOL_01_004818,CCc1ccc(cc1)C(CNC(=O)N(C)C)c2cccc(n2)C -MOL_01_004819,Fc1ccc(cc1)N(C2O)C(O)c(c23)cccc3F -MOL_01_004820,NC1NCN(CN1)c2ccc(nn2)-c3ccncc3F -MOL_01_004821,O=C(F)NCC(=O)C(N1)Nc(c12)cc(F)c(c2)C(F)O -MOL_01_004822,C1CCCCC1Cc2ncc(C)c(n2)C(=O)NCCCn3ccnc3 -MOL_01_004823,NCc1c(CN)cc(cc1NC)-c2cc(-c3ccccc3)cc(c2)-c4ccc(CN)cc4 -MOL_01_004824,c1cccc(c12)N=C(O)OCC2C(O)c(c3)ccc(c34)cccc4 -MOL_01_004825,CCc1cccc(c1)C(O)N(C)CC(=O)Nc2cccc(c23)cccc3 -MOL_01_004826,FC1(F)CC(=O)N(C1(F)F)c2ncccn2 -MOL_01_004827,FNC(F)CCc1ccc(cc1)CNC(F)c2ccc(cc2)N3C=CN(CC3)Cc4ccncc4 -MOL_01_004828,CNCC(O)c1cnc(nc1F)CCC(O)C2CCC(CC2)c3cnccn3 -MOL_01_004829,Fc1ccccc1C(O)c2cnn(c2)C(O)c3ccccc3F -MOL_01_004830,NCc(c1)c(C)cc(c12)C=C(C2=O)NC/C=N/c3ccccc3 -MOL_01_004831,FNC(=O)C1(Cl)CC(NN1)c2cccc(F)c2 -MOL_01_004832,c1ccccc1N(C)C(F)CNc2ncnc(F)c2F -MOL_01_004833,OCOc1nc(cc(F)c1CF)Nc2ccccc2 -MOL_01_004834,FCc1c(F)c(ccn1)C(=O)NCC(c2ccccc2)c3ccccc3 -MOL_01_004835,c1ccccc1C(O)NC2=C(CNC2O)c3ccc(C)cc3 -MOL_01_004836,Cn1cccc1C(O)NCc2nc(F)nc(n2)Nc3ccccc3F -MOL_01_004837,COC(O)c1cc(ccc1F)NCc2ccc(F)cc2 -MOL_01_004838,OCC1CC=Nc(c12)ccc(c2)NC(N)(N)c3ccccc3 -MOL_01_004839,C1CCCCC1(F)CNC(=O)C2CCC(O)N(C2)Cc3ccccc3F -MOL_01_004840,C1CCCC1NC(=O)CC#CN2C(F)N/C(C2O)=C\c3ccc(F)cc3 -MOL_01_004841,O=c1ccc(cn1F)/C=C(C2O)/Cc(c23)cc(F)cc3 -MOL_01_004842,CC(=N)c1ccc(cc1)/C=C2\C(=O)CC(O)=NC2O -MOL_01_004843,O=Cc1ccc(cc1)Nc(c2)ccc(c23)NNC(C3)Nc4ccccc4 -MOL_01_004844,CC(=O)Nc1ccc(cc1)-n2cnc(c2)CN3CCN(CC3)c4ccccc4 -MOL_01_004845,CNc1nccn(c12)c(nc2)Cc3ccccc3F -MOL_01_004846,FNNc1ccncc1CN(c2ncncn2)N3CCCNCC3 -MOL_01_004847,Fc1nc(C(F)(F)F)ncc1C(O)NCCNc2nnc(F)n2CF -MOL_01_004848,O=Cc1ccc(cc1)NC(=O)c2ccccc2CC(F)Cc3ccc(CN)cc3 -MOL_01_004849,Cn1nc(Cl)c(F)c1C(O)NCCc2cccnc2 -MOL_01_004850,Fc1ccccc1N2CCN(CC2)C(N)CCC(F)Nc3cccc(C(F)F)c3 -MOL_01_004851,Fc1ccc(nc1)C2CNCC2NC(F)(F)N(F)F -MOL_01_004852,NC(O)c1ccc(cc1)CC(Nc2ccc(C)cc2)C(O)(O)c3ccc(C)c(N)c3 -MOL_01_004853,c1cccc(c12)cc(nc2O)NC(=O)CNC(O)N3CCCCC3 -MOL_01_004854,CNC(O)C(NC)c1cccc(c1)Cc2cnc(F)c(N)c2 -MOL_01_004855,CCc1ccc(cc1)NCC(=O)C(CC)c2ccc(CC)nc2 -MOL_01_004856,CN1CCN(CC1)c2nc(F)nc(n2)-c3cccnc3 -MOL_01_004857,FCNCNc1c(NC)c(nc(n1)F)Nc2ccccc2 -MOL_01_004858,OCNc1cccc(c1)-c2ccc(C)c(c2)C(O)c3ccccc3 -MOL_01_004859,c1ccccc1NCC(=O)Cc2cccc(c2O)Cc3ccccc3 -MOL_01_004860,c1cncn1-c2ccc(cc2)C(C)NC(O)c3ccccc3CC(F)F -MOL_01_004861,c1ccccc1CC2NC(=O)N=C(C2)CNc3cccc(c3)N(C)C -MOL_01_004862,FC(F)(F)c1ccccc1C(O)CNc2ccc(cc2)C(O)Nc3ccc(F)cc3 -MOL_01_004863,CNCCn1c(CCF)nnc1NCC(=O)NC2CCCC2 -MOL_01_004864,Cc1ccc(cc1)C(F)(O)CNCc2cccc(c23)nccn3 -MOL_01_004865,FCN1CCC(CC1)NC(=O)NCC(F)c2ccc(F)c(F)c2 -MOL_01_004866,c1ccccc1CC(C)C(=O)N2CCNC2NCc3cccc(F)c3 -MOL_01_004867,CNc1cccc(c1)CNC(O)Nc2ccc(cc2)-c3ccncc3 -MOL_01_004868,Oc1nc(F)cnc1N2CCCCC2 -MOL_01_004869,Fn1ccnc1C(NCF)c2ccccc2CNNC(F)c3ccc(F)cc3 -MOL_01_004870,CCNc1cccc(c1F)CNNC(=O)CN2CCN(CC2)Cc3ccc(C(F)(F)F)cc3 -MOL_01_004871,c1ccccc1-c2cccc(c2N)CCc3ccc(cc3)NCNC4NNC(N)N4 -MOL_01_004872,FC1(F)CC(=O)C(C(C1)O)NNc2ccc(C(F)(F)F)cc2N(F)F -MOL_01_004873,Cc1ccc(C(C)O)cc1CC(O)C2CCCC2 -MOL_01_004874,CNCCCc1cccc(c12)NC(C2)O -MOL_01_004875,C1CNc(n12)ncc2NC(O)CCc3ccc(F)cc3 -MOL_01_004876,FCc1c(C)ccc(c12)cc(cc2)-c3cccc(c3)C(O)N4CNC(N)NC4 -MOL_01_004877,OC(F)C(F)CC(=O)Nc1cc(C)c(cc1)-c2ccc(F)cc2 -MOL_01_004878,CC(O)CCNC(O)c(c1)ccc(c12)CCc3c2cccc3 -MOL_01_004879,OC(F)CNc1c(F)cc(F)c(c12)ccc(n2)F -MOL_01_004880,Cc1cc(F)nc(n1)Nc2ccc(F)c(c2)C(F)O -MOL_01_004881,Fc1ccc(cc1)NC(=O)CNc(c(F)n2)nc(c23)cccc3 -MOL_01_004882,CC(F)(F)c1cc(cc(C(F)(F)F)c1F)CCC(=O)NCc2cccnc2 -MOL_01_004883,CC(C)c1ccc(c(c1)C(N)O)N2CCCCC2 -MOL_01_004884,FC(F)(F)c1cn(cc1)C(C)C(=O)Nc2ccc(F)cn2 -MOL_01_004885,C/C=C(\C)Cc(c1N)c(O)c(N)c(c12)cccc2 -MOL_01_004886,COC(O)C(C=1C)=CC(C12)=CC(=N2)C3CCCC3 -MOL_01_004887,c1ccccc1C2=NCC(NC2)CC(=O)CNc3ccc(CN)c(c3)CN -MOL_01_004888,c1cc(F)cc(c12)C=C(C2)C(=O)NCCCC(O)C3CCCCC3 -MOL_01_004889,FC1(F)CC(=O)N(C1O)CN2CCN(CC2)c3ccccc3F -MOL_01_004890,CNCNc1ccc(cc1)-c(c2)cc(c(c23)ccc(c3)CN)CNCC4NCNNCN4 -MOL_01_004891,CNc1ccccc1CCC(=O)Cc2ccc(cn2)CNC(=O)C -MOL_01_004892,FCCCCC(=O)Nc1ccc(c(F)c1)Nc2ncc(F)cc2F -MOL_01_004893,Cc1cc(O)c(c2c13)O\C(=C\C(=O)Cc(c2)cc3)c4ccccc4 -MOL_01_004894,Fc1ccccc1Cc2c(O)c(ccc2)NC(O)NCc3ccccc3 -MOL_01_004895,FCC(=O)Nc1ccc(nc1)C(=O)NNC(O)c2ccc(F)cc2 -MOL_01_004896,Cc1ccc(cc1)CCn2cc(N(C)O)nc2C(F)O -MOL_01_004897,CCc1ccc(cc1)-n2c(F)nnc2CNc3ccccc3 -MOL_01_004898,C1CNCCC1C(c2ccc(N)cc2)CNC(F)c3ccccc3F -MOL_01_004899,CNC(=O)CCCCc1cncc(c1)NCc2ccc(F)cc2 -MOL_01_004900,Fc1cc(C(=O)F)cnc1N(C)Cc2cccc(C(=O)F)c2 -MOL_01_004901,Fc1ccccc1C(=O)NCC(O)NC2CCCCC2 -MOL_01_004902,FC(F)(F)Cc1ccccc1CNC2NCCNC2c3cccnc3 -MOL_01_004903,c1ccccc1CCC(O)Nc2cnc(cc2F)NC(O)C(F)F -MOL_01_004904,Fc1ccc(cc1)C(=O)CCc(n2)cnc(c23)cccc3 -MOL_01_004905,FC1(F)NC(=O)C(C(C1)O)Cc2ccc(F)cc2 -MOL_01_004906,CNc1ccc(cc1)NC(O)c(c2)ccc(c23)n(CF)cc3 -MOL_01_004907,NCc1ccccc1NC(O)C2CCN(CC2)c3ccccc3 -MOL_01_004908,FCNC(CC)NCCCCc1cc(C)ccc1O -MOL_01_004909,OC(F)N1CCN(CC1)C(O)c(c2)ccc(c23)ccn3NCNF -MOL_01_004910,CCC(=O)c1ccc(nc1)Cn2nc(NC)nc2O -MOL_01_004911,C1CNCN1C(COCl)C(O)c2ccc(NCF)c(F)c2 -MOL_01_004912,Fc1cc(F)c(F)cc1C(O)NCc(c2)ccc(c23)CCN3 -MOL_01_004913,NC(O)Cc1ccc(cc1)Cc2cc(cc(c23)CCNC3)-c4ccc(F)cc4 -MOL_01_004914,FCCN1CCN(CC1)C(=O)c(nc2O)cc(c23)cccc3 -MOL_01_004915,OCN1C(O)CCC1c2ccccc2 -MOL_01_004916,c1ccccc1/C=C/C(=O)c2ccccc2NC(F)(O)C(F)(F)F -MOL_01_004917,OCCNC(=O)C1CC(O)N(C1)c2ccc(Cl)cc2 -MOL_01_004918,C1NC(=O)NC12CNCN(C2)C3CCN(CC3)c4cccc(F)c4F -MOL_01_004919,c1ccccc1NC2CC(=O)CC(C2)C(=O)NCCc3ccncc3 -MOL_01_004920,c1ccccc1NCNC(O)CCc2ccc(cc2)-c3ccccc3 -MOL_01_004921,Cc1ccccc1C(C)(C)C(=O)Nc2ccc(C(C)O)cc2 -MOL_01_004922,Fc1ccc(cc1)C(=O)CCC(O)CCc2nc(F)nc(n2)Nc3ccccc3F -MOL_01_004923,O=C(C1)CC(C12)Cc3c(C2)nc(cc3)CCCCC(=O)C4CCCC4 -MOL_01_004924,CCc1ccc(cc1)NC(O)N(C2)CC23C=CN(CC3)C(O)c4ccccc4 -MOL_01_004925,CCCC(=O)c1cc(ccn1)CC(CC(F)C2)NC23CCCCC3 -MOL_01_004926,O=C(F)Cc1cc(F)c(c(F)c1)Cc2ccc(F)c(c2)-c3cncnc3 -MOL_01_004927,OC(F)c1ccc(cc1)CCc(n2)nc(F)c(c23)cccn3 -MOL_01_004928,Oc1cncc(c1F)N2CCCOC2 -MOL_01_004929,FC1CNCCC1Cc2ccc(C(=O)C)c(c2)Nc3cc(C)cc(C)c3 -MOL_01_004930,CNc1ccccc1Nc2ccc(nc2)NCc3c(F)cc(F)cc3F -MOL_01_004931,CNc(c1)ccc(c12)ccc3c2C(CC3)CNC(O)NCCF -MOL_01_004932,c1cccc(c12)ccc(C(F)CNC)c2Nc3c(N)cccc3Cl -MOL_01_004933,C1CC(=O)N=C(O)C1(N)c2ccc(C)cc2 -MOL_01_004934,c1nccnc1CCNC(=O)C2CN(C(O)CN2)Cc3ccc(F)cc3 -MOL_01_004935,Fc1ccc(nc1)N2CCN(NC2)NCc3ccncc3 -MOL_01_004936,CCCCNC(O)NCCC(N1C)=C(F)N(C)c(c12)cccc2 -MOL_01_004937,CC1CC(C)CN(C1)C(=O)c2cn(cn2)CCN3CCCCC3 -MOL_01_004938,Fc1nc(ccc1)NOc2c(N)n(cc2F)-c3ccccc3 -MOL_01_004939,FCCCC(F)Nc1ccc(cc1CN)NC(F)c2ccc(N(F)F)cc2F -MOL_01_004940,Cc1cc(N)nc(n1)Nc(c2)ccc(c23)nc(O)cc3 -MOL_01_004941,N1CNc(c12)ccc(c2)NC(N(F)F)Cc(c3)ccc(c34)CCN4 -MOL_01_004942,NCNc1ccc(cc1)-c(c2N)cc(O)c(c23)cccc3 -MOL_01_004943,CNC(O)c1ccc(c(F)n1)-c2cccc(F)c2 -MOL_01_004944,c1cccc(c12)C(O2)C(O)Nc3ccccc3 -MOL_01_004945,CNc1cccc(CNNC(F)N)c1CCc2ccccn2 -MOL_01_004946,Nc1ccc(cc1)-c2cccn2-c3cccc(N)c3 -MOL_01_004947,n1cccc(c12)ncc(n2)C(O)NC3CCCCC3 -MOL_01_004948,FC1(F)CC(O)N(C1)c2ncc(cn2)CNc3cccc(F)c3 -MOL_01_004949,Fc1cc(F)ccc1CNC(=O)C2NCC(O)N2Cc3ccccc3 -MOL_01_004950,c1ccccc1C2(C(=O)C2N)c3ccc(O)cc3O -MOL_01_004951,NCNC1CNCC1Cc2c(C)c(F)c(cc2)Cc3ccccc3 -MOL_01_004952,Cn1cc(cn1)CNC(O)N2c(cccc3)c3Cc(c24)cccc4 -MOL_01_004953,CNc1cncc(c1)C(=O)NCC(O)OCc2ccc(F)cc2F -MOL_01_004954,c1ccccc1CNc2ccccc2C(O)C3N=CCCN3 -MOL_01_004955,C1CCCCCN1C(NF)c2cccnc2NCC(F)(F)F -MOL_01_004956,C1CC1CNC(=O)C(C23CCNCC2)CN(C3)C(O)c4ccncc4 -MOL_01_004957,c1nc(F)c(F)c(c12)nc3c(c2O)ccc(F)c3F -MOL_01_004958,CN(C)CCNc1ccc(cn1)CNC(=O)c2cncc(F)c2F -MOL_01_004959,OC1CN(C(F)O)Cc(c12)cccc2 -MOL_01_004960,ONC(F)c1ccc(F)nc1Cc2ccc(O)cn2 -MOL_01_004961,CNC(=O)CC1NC(NC1=O)NNCCCc2ccccc2 -MOL_01_004962,Nc1c(C(F)(F)N)cc(C(F)(F)N)c(c1N)NC(O)CF -MOL_01_004963,c1cncc(c12)cccc2NC(O)Nc3cc(C(F)(F)F)ccn3 -MOL_01_004964,CNC(O)NC1=CC(=C)C(=C1)C2=CC=C(C2=3)C=C(C3)c4ccccc4 -MOL_01_004965,FCN(CF)c1cnc(cc1)C(O)N2CCC(CC2)c3ccncc3 -MOL_01_004966,O=C1CNC(C1)Cc2ccc(C(=O)F)cc2 -MOL_01_004967,Nc1nc(N(F)N)cn1CC(=O)CNc2ccc(F)cc2 -MOL_01_004968,Nc1ccccc1C(CC2(C)C)=CC2C(O)C3CCCC3 -MOL_01_004969,C1CCCN1c(cc(c2)C(N)N)c(c23)cc(F)c(c3)CNc4ccccc4 -MOL_01_004970,NCC1CN=C=C1C(C(=O)CN)c2cccc(C)c2 -MOL_01_004971,CN(C)c1ccccc1C(O)NNC(F)CCC(=O)Nc2ccc(Cl)cc2F -MOL_01_004972,OC(F)CC(=O)C(C)Cc1cccc(c1)CN2CCCC2=O -MOL_01_004973,Fc(n1)nc(F)c(c12)c(F)nc(n2)-c3ccccn3 -MOL_01_004974,CCC(=O)C(O)C(CN)c1ccc(F)c(F)c1 -MOL_01_004975,NCC(=O)c1cccc(c1)Cc2cccc(c2)C3NCN(NN3)c4ccccc4 -MOL_01_004976,C1CCCCCN1C(=O)c2ccc(cc2)C(F)(O)Nc3ccc(F)cc3 -MOL_01_004977,c1ccncc1NC(O)c2cc(ccc2F)NC(F)c3cccc(F)c3 -MOL_01_004978,FC(F)c1cc(ccc1)C(O)Nc2cccc(c23)cccn3 -MOL_01_004979,O=C(F)C(F)(F)CCC(=O)c1cc(CF)c(NF)cn1 -MOL_01_004980,Cc1ccnc(c1)NC(O)CCCCc2ccc(F)cc2C -MOL_01_004981,Fc1cc(F)ccc1CNC(O)NCc(nc2)cc(c23)NNC3 -MOL_01_004982,Fc(c1)ccc(c12)NCN(C2)CCN(C3)CNc(c34)cnc(F)c4 -MOL_01_004983,Cc1ccc(cc1)C(F)(O)N2CCC=C(C2)C(=O)CCCl -MOL_01_004984,CNC(F)NCCCCCn1cc(ccc1=O)-c2ccccc2 -MOL_01_004985,FC(F)Cc1c(F)c(N)c(c(N)c1N)Nc2c(F)cc(CF)c(F)c2N -MOL_01_004986,O=C(O)c1ccc(C2CCCC2)nc1C3CCCC3 -MOL_01_004987,Cc1ccccc1C(=O)NC(=O)Nc2ccccc2C(Cl)O -MOL_01_004988,CCc1c(F)cccc1C(=O)NCc(c2)ccc(c23)CNC3 -MOL_01_004989,c1cccnc1CCNC(O)C(NCC)CCCc2ccc(F)cc2F -MOL_01_004990,COc1ccc(cc1)Nc2nc(F)c(CO)c(n2)OC(C)C -MOL_01_004991,c1ccccc1C(c2ccccc2)NC3CCN(C=N3)c4cc(NCN=O)cc(c4)NCNF -MOL_01_004992,FC(F)(F)c1ccc(cc1)C(=O)C2CNCN(C2)C(F)Cn3ccnc3 -MOL_01_004993,C1CC1NC(O)NC2CCc(c23)c(F)cc(F)c3 -MOL_01_004994,CN1C(=O)CNc(c12)ccc(c2)NC(=O)Nc3cccc(F)n3 -MOL_01_004995,c1ccccc1/C(F)=N/CC(O)c2cccc(c2)C(F)(O)N3CCCC3 -MOL_01_004996,c1cccc(c12)ccc(n2)C(O)Nc3ccncc3NF -MOL_01_004997,FC(O)c1cccc(c12)nc(F)nc2F -MOL_01_004998,NCc1ccc(c(c1)NC)CNC(N)C2C=NC(=CC2)Cc3ccccc3 -MOL_01_004999,CCc1cc(C(C)C)c(cc1C)Cc2cnc(nc2F)NC(O)CN3CCNCC3 -MOL_01_005000,C1CCc(c12)cc(cc2CC)CNC3CNCN(C3)c4ncccn4 -MOL_01_005001,Cc1cccc(n1)NC(O)(O)c2cccc(c23)cccc3 -MOL_01_005002,COCC(N)Cc1cc(N)cc(c12)ccc(c2)CNc3ccc(ON)cc3 -MOL_01_005003,c1cccc(c12)CC=NC2NC(O)N(c3ccccc3)c4ccccc4 -MOL_01_005004,c1cccnc1NC(=O)NC(C(F)(F)F)c2ccc(F)c(F)c2 -MOL_01_005005,CCCC(=O)C1C(=O)CNC1Nc(c2)ccc(c23)CCC3 -MOL_01_005006,NCCc1ccc(cc1)C(c2ccccc2)NC(N)c3ccccc3 -MOL_01_005007,c1ccccc1OC(=O)CC(C(O)N2)Cn(c23)ccn3 -MOL_01_005008,Fc1ccccc1/C=C(/NC(O)c2ccccc2)C(O)NCCCn3ccnc3 -MOL_01_005009,FNC(=O)CCc1cc(cn1C)/C=C/C(O)c(c2)ccc(c23)cccc3 -MOL_01_005010,Fc1cc(F)cc(F)c1C(O)Nc2cccc(c23)cccn3 -MOL_01_005011,Cn1cncc1CN(C)c2nccc(n2)C3CCNC3 -MOL_01_005012,CCc1ncc(F)cc1NC(O)Cn2cccc2 -MOL_01_005013,CCc1ccc(cc1F)OCNc2nncc(c23)cccc3 -MOL_01_005014,CCC(O)NCCC(O)NCC1(CC1)c2cccc(F)c2 -MOL_01_005015,Cc1ccnc(c1)NC(O)c2cc(ccn2)Cc3cccnc3 -MOL_01_005016,ONCc(c1C)ccc(c12)CC(CC2O)c3ccc(N)cc3 -MOL_01_005017,c1cnccc1C2N(C)C(CCC2)c3ncccn3 -MOL_01_005018,CNc1ccc(cc1F)C(F)CNC(O)N(N2)CNc(c23)cccc3 -MOL_01_005019,Fc1ncccc1C(O)Nc2cnccc2N3CCNCC3 -MOL_01_005020,NCc1ccc(cc1)Cn2c(F)cnc2-c3ccc(N)cc3 -MOL_01_005021,Cn1ccnc1C(c(cc2N(F)F)ccc2)NNC(O)c3ccc(F)cc3 -MOL_01_005022,Cn1cncc1C2CCN(CC2)C(O)CCNc3ccccc3N -MOL_01_005023,Fc1cnc(cc1)C(N(C)C)C(F)NCCc2nc(F)cc(F)n2 -MOL_01_005024,Nc1ccc(N)c(c1)-c(c2)ccc(c23)cc(cc3)C(O)CC4=NC=N4 -MOL_01_005025,CNc1cccc(c1)C(CCNC)CCCCc2c(F)cc(N)cc2F -MOL_01_005026,c1ccccc1C(O)Nc2cccc(c2)C(O)Nc3c(CF)cccc3NF -MOL_01_005027,Fc1cnccc1Cc2cncc(n2)C(CC34)CC(C3)CNC4 -MOL_01_005028,Fc1cc(cnc1)C(O)Nc2ccc(cc2)C3CNCCN3 -MOL_01_005029,CC(N)c1ccc(F)c(c1)C(=O)CCC(N)c2ccccn2 -MOL_01_005030,CC1CN(C)C1c2ccc(cc2)CNc3ccccc3N -MOL_01_005031,CNc1cnc(c(c1)NC)NC(O)c2ccc(CO)nc2 -MOL_01_005032,CC(F)c1ccc(cc1)C(=O)CCC(O)N(C)c2ccccc2 -MOL_01_005033,C1CCNC=C1C(=O)Nc2ccc(cc2)C(O)N3CCCCC3 -MOL_01_005034,c1cccc(c12)cc(-c(cc3)ccc3N)c(c2)C4CNNNN4 -MOL_01_005035,Oc1cc(CCC)cc(c1)-c2ccccc2N -MOL_01_005036,O=C1NC(O)c(c12)c3c(cc2C)cccc3 -MOL_01_005037,C12NCC(N)N(C1)CCN2C(c3ccccc3)c4ccccc4 -MOL_01_005038,c1cccc(c12)CCC(C2)CNC(=O)CCNC(O)c3ccc(N(F)F)cc3 -MOL_01_005039,CCc1ccc(cc1)C(O)NC2CCC(CC2)C(=O)NC3CCCCC3 -MOL_01_005040,c1ccccc1N(NCNNC)CCN2CCN(CC2)c3ccccn3 -MOL_01_005041,Oc(c1)c(C)c(Cl)c(c12)ccc(c2)CCC(O)CCCO -MOL_01_005042,C1CCCN1c2c(N)ccc(c23)ccc(c3)Nc4ccc(cc4)C5NC=C(N)N5 -MOL_01_005043,c1ncnnc1C(CCNC(F)O)c2cccc(NF)c2 -MOL_01_005044,Fc1ccc(C(F)F)nc1C(O)NN(C2)Cc(c23)cccc3 -MOL_01_005045,NC(F)NC(N)CCc1ccc(nc1)Nc2ccc(CC(F)F)nc2 -MOL_01_005046,C1CCCNN1CCCC(O)Nc2ccc(cc2)-c3cccnc3 -MOL_01_005047,Oc1ncc(F)n1CC(=O)NCC(O)Nc2cc(Cl)ccc2F -MOL_01_005048,OC(F)c(n1)ccc(c12)c(F)nc(n2)CF -MOL_01_005049,CCc1cccc(c1)N2CCN(CC2)CCCCN3CNCC3O -MOL_01_005050,FCN(CF)c(c(NF)c1)nc(c12)cc(NF)cc2 -MOL_01_005051,Cc1cc(N)c(c(N)c1)CC(=O)CC2/C=C/CCCCCCNCCCCC2 -MOL_01_005052,NCCNCc1ccc(cc1N)C(CN)(NC)c2ccc(C)c(C)c2 -MOL_01_005053,CCCC(O)C(N1)NC12CNC(C2)c3ccccc3 -MOL_01_005054,CNc1ccccc1CNC(O)CN(Cl)C(F)c2ccncn2 -MOL_01_005055,c1ccccc1C2(c3ccccc3)C=CC=C(N2)CNNNNc4ccccc4 -MOL_01_005056,Cc1ccccc1C(O)(O)Nc2ccc(cc2)C(O)C3C=NCCC=N3 -MOL_01_005057,c1ccccc1NC(=O)NC2(CCCCC2)C(O)N3CCC(F)CC3 -MOL_01_005058,Fc1ccc(cc1)C(O)Nc2ccc(N3CCNCC3)cc2N4CCNCC4 -MOL_01_005059,Cc1cnccc1NN2CC(C)C(C2)Nc3cccc(F)c3 -MOL_01_005060,C1NCc(c12)ccc(c2)OCC(O)NCNCc(c3)ccc(c3=4)=NC4 -MOL_01_005061,Cc1ccc(cc1)CN(F)C(=O)CN2C#CCC(C2)Cn3ccnc3 -MOL_01_005062,N/C=c(c1)\ccc(c12)=CC(=C2)c3ccc(cc3)Nc(cc4)cc(c45)N=C5 -MOL_01_005063,FCCC(O)c1ccc(cc1)Nc(nc2F)cc(c23)cccc3 -MOL_01_005064,Cc1ccc(c(n1)CC(C)C)Nc2c(C)cccc2N -MOL_01_005065,c1cnccc1N2CC(=O)N(C2NCN)CNCCCCNc3ccc(F)cc3 -MOL_01_005066,N#CCCCCc1cc(CC)cc(c1)NCCNCCl -MOL_01_005067,ClCCC(O)c(c1F)cnc(n12)ncn2 -MOL_01_005068,c1cccnc1NNC(=O)Nc2cccc(n2)NCc3cccc(F)n3 -MOL_01_005069,CCc1cccc(c1)C2(CC2)CC(O)CCCC(C)O -MOL_01_005070,CCc1cc(CC(F)O)ccc1CCC(O)C(CC)CC -MOL_01_005071,Fc1ccc(cc1)N2CCN(CN2)C(F)N3CNN(NC3)C(F)Cc4ccccc4 -MOL_01_005072,Fc1ccccc1CNC(O)c2cnc(cn2)-c3ncccn3 -MOL_01_005073,c1ccccc1C2=C(N=N2)NCCC(N3)N=C(C34)N=CC4 -MOL_01_005074,c1ccncc1C(O)/C=C/c(n2)ccc(c23)cccc3 -MOL_01_005075,CCc1cc(O)c(C)c(c1)C(C)O -MOL_01_005076,c1ccnc(c12)nc(nc2O)Nc3cccnc3 -MOL_01_005077,N1NOC1c(c2)ccc(c23)CN4C3=CCN4 -MOL_01_005078,Fc1ccc(cc1)C(CCN(C)C)NC(O)Nc2ccc(C(F)(F)F)nc2 -MOL_01_005079,OC(F)C1CNCN(C1)CCNNCc2ccccc2-c3ccc(F)cc3F -MOL_01_005080,C1C=NCC1NC(O)C(C2)(Cc(c23)cccc3)C4CCCCC4 -MOL_01_005081,CCCCCCC(=O)Nc1c(C)ccnc1F -MOL_01_005082,O=C(F)c1cncc(c1)NCc2cccc(c2)NC(F)c3ccc(CF)cc3 -MOL_01_005083,c1cccc(c12)nc(cc2O)Nc3cccc(F)c3 -MOL_01_005084,C1CCCCC1N(CC)C(=O)CCC(O)c2ccc(F)cc2F -MOL_01_005085,CCc1ccc(cc1)/N=C(\C)C(=O)NCC(O)Cc2c(C)ccnc2F -MOL_01_005086,FCCNCNc1cc(CCF)cnc1NCF -MOL_01_005087,Fc1ccc(cc1F)Nc2nccc(n2)Nc(c3)ccc(c34)NCN4 -MOL_01_005088,OC(F)Nc1ncc(F)cc1OCc2ccccn2 -MOL_01_005089,O=c1ccc(C(Cl)O)cn1CC(O)NCc2ccc(F)cc2F -MOL_01_005090,c1ccccc1-c2cc(F)c(nn2)NCCN3CCOCC3F -MOL_01_005091,OC1NC(N)Nc(c12)cc(cc2N)Cc3ccccc3 -MOL_01_005092,CNc1nc(N)c(N(F)N)c(n1)NC2CCCCC2 -MOL_01_005093,c1cccc(c12)c(C)c(N)c(c2)-c3ccc(cc3)C4NCNCN4 -MOL_01_005094,Fc1ccc(cc1F)NC(C(F)O)Cc2cccnc2 -MOL_01_005095,NCC(O)N(C)c1cc(C(F)(F)F)c(cn1)NN -MOL_01_005096,FCCC(F)C1CCN(CC1)C(=O)CNc(c2F)c(F)nc(n23)ncc3 -MOL_01_005097,NC(O)CCc1ccc(F)c(C(F)(F)F)c1 -MOL_01_005098,Cc1cnccc1CC(C2O)Cc(c23)nccc3 -MOL_01_005099,CCc1ccc(c(C(F)F)c1)NC(O)CCC(=O)N2CCCCC2 -MOL_01_005100,CNC(F)CNCCC(N)NC1=C(C(F)=C1F)Nc2ccc(N(F)F)cc2 -MOL_01_005101,NCCCC(O)c1ccccc1NC(N)c2ccccc2 -MOL_01_005102,O=C(F)c(c1)ccc(c12)cc(nc2)C(=O)Cc3ccc(CF)cc3 -MOL_01_005103,C=CC=C=CNC(O)c1c(C)c(O)c(F)c(F)c1F -MOL_01_005104,C1CC1/C(Cl)=C/NC(=O)CNc2cccc(F)c2O -MOL_01_005105,O=C(O)CN1CCC(C1=O)CC(C(=O)F)CCc2ccccc2 -MOL_01_005106,c1ccccc1C(c(c23)cccc2)OC(O)=C3NCC -MOL_01_005107,Oc1cn(c(n1)O)CC(F)(C(F)O)Cc2ccccc2 -MOL_01_005108,Cc1ccc(cc1)CN(C)C(O)Nc2ccnc(c2)CN3CCCNCC3 -MOL_01_005109,CCC(C1O)=CC(O)c(c12)ccc(c2)C -MOL_01_005110,FC(F)(F)C(F)C(=O)NCC1(CCNC1)c2ccnc(F)n2 -MOL_01_005111,CC(=O)Cc(c1)cc(F)c(c12)c(O)c(cc2)NC(=O)C -MOL_01_005112,Fc1ccc(F)cc1C(=O)Nc2ccc(cc2F)NC(F)O -MOL_01_005113,c1ccccc1C2=CC(=N)C(=C2)c3ccccc3N -MOL_01_005114,Cn1ccnc1C(C)NC(=O)N2CCN(CC2)c3ccccc3F -MOL_01_005115,NC(=O)NNc1cnc(n1N)-c2ccc(cc2)C(F)(F)c3ccccc3 -MOL_01_005116,Fc1ccccc1CNC(=O)CC(C(=O)F)c2cccc(C(F)F)c2 -MOL_01_005117,c1cccc(c12)c(ccc2)Cc3ccc(N)c(c3)CC(CC)CN -MOL_01_005118,c1cnccc1CCNC(O)N2CCN(CN2)c3ccc(F)cc3F -MOL_01_005119,CC(O)NCC(=O)c1ccc(cc1)NC(F)(F)c(c2)ccc(c23)CCC3 -MOL_01_005120,FCC(O)Nc1ccc(nc1)NC(O)c2cnccc2F -MOL_01_005121,CC1(N)CC(C1)c(c2C)c(C)cc(c23)c(C)c(C(C)N)cc3C4=CC4 -MOL_01_005122,c1cnccc1CNC(=O)C(c2ccccc2)NNc3cccc(c3)C(O)NF -MOL_01_005123,O=C(F)CCCC(=O)Nc1cc(C(=O)CF)ccc1F -MOL_01_005124,OCc1c(F)nc(F)nc1NCC(Cl)(Cl)CF -MOL_01_005125,O=C1N=C(F)N=C(C1=2)N=C(N2)OCCCF -MOL_01_005126,O=C(F)c1cc(NC(F)O)ccc1NC(=O)C2CCCCC2 -MOL_01_005127,O=C(O)Cc1ccc(cn1)-c2ccn(C(F)F)c(=O)c2 -MOL_01_005128,Fc1ncc(cc1)C(O)Nc2cc(F)ccc2N3CCCCC3 -MOL_01_005129,CNc1ccccc1-c2ccc(cc2F)C(F)(F)NCCNNF -MOL_01_005130,CCNCCCC(=O)Cc1cc(ccc1F)C(=O)C2CCCCC2 -MOL_01_005131,NC(=O)CCCc1cc(CN)c(NC)c(c1)NC -MOL_01_005132,CC1(C)CC(O)C(C(O)C1)CNc(c2)ccc(c23)CCCC3 -MOL_01_005133,c1cncc(c12)/C(NC2O)=C\c3ccccc3 -MOL_01_005134,FNC(F)CCNCCNNC(F)Nc(c1)cnc(c12)cccc2 -MOL_01_005135,NCc1c(F)c(CC)c(cc1)C(O)c2cc(F)c(F)c(c2F)CN -MOL_01_005136,c1ccncc1CNC(=O)c2nc(F)nc(n2)Nc3cnc(F)cn3 -MOL_01_005137,Oc1nc(O)c(F)cc1C(CCN)CCCNC(=O)C(CO)CCF -MOL_01_005138,NC1CNC(C=N1)c(c2)c(F)cc(c23)cc(cc3)CNc4ccc(CN)cc4 -MOL_01_005139,Fc1ccc(cc1)NC(O)CN2CCN(CN2)C(O)c3ccc(F)cc3 -MOL_01_005140,CCNC(N)C1c(cccc2)c2NNc(c13)ccc(c3)CC(O)O -MOL_01_005141,FCc1ccc(cc1NF)CNc2ccnc(CF)c2NF -MOL_01_005142,CCCc1ccc(cc1N(F)F)C(O)NC(O)Nc2cccnc2 -MOL_01_005143,Fc1ccccc1C(NF)N(O)CCC(F)Nc2ccc(F)nc2 -MOL_01_005144,Fc1ccc(cc1F)CCCNC(O)C2=C(F)C(O)N(C2)CCN3CCCCC3 -MOL_01_005145,Fc1ccc(cc1)NC2C(=O)N(C(N2)O)CNc3ccccn3 -MOL_01_005146,COc1ccc(F)c(c1CO)CCNC(F)Nc2ccc(CF)cc2 -MOL_01_005147,Fc(c1)ccc(c12)c(ccn2)NNCc3cccnc3 -MOL_01_005148,Cc1cccc(c1)C(=O)NC(O)C2CCNC2=O -MOL_01_005149,FC(F)(F)c1ccc(cc1)C(=O)CC2CCN(CN2)CC3CN3 -MOL_01_005150,CCCc1ncc(n1F)NCC(=O)Nc2ccc(NC)cc2 -MOL_01_005151,C1CCNC1C(O)N2CCN(NC2)c3ccccc3NF -MOL_01_005152,CCC(O)c1ccccc1C(=O)N(C)CCCNF -MOL_01_005153,C#CCNCCNC(C)CC(O)CCc1cnc(C)c(c1)NC -MOL_01_005154,Fc(n1)ccc(c12)ccc(c2)C(O)NCc3ccccc3 -MOL_01_005155,Fc1cc(cc(F)c1)NC(O)CN(CCF)CC(O)Nc2ccc(F)c(F)c2F -MOL_01_005156,N1CN=NN(N12)C(NC2)c3ccc(cc3)C4OCC4 -MOL_01_005157,Fc1cc(F)ccc1CNC(=O)CNC(O)c2ccc(NCF)cc2 -MOL_01_005158,c1cccnc1C(O)N2CCC(CC2)Cc3cccnc3 -MOL_01_005159,N1NC1C2=C(N)/C(C=C2)=C/CC(=O)Cc3ccccc3Nc4ccccc4 -MOL_01_005160,Oc1c(F)ncnc1NCCc2ccc(F)cn2 -MOL_01_005161,c1ccccc1CN2CCC(NC2)NCNCOCn3ccc(c34)cccc4 -MOL_01_005162,CC(C)c1ccc(c(c1)C(F)(F)N)NC(O)(O)c2ccccc2 -MOL_01_005163,FC(F)c1ccc(c(c1)C(F)O)C(O)Nc2cccc(n2)C -MOL_01_005164,CC(C)c1ccc(cc1)C2C(=O)C(NCCF)=C(C2=O)NCCF -MOL_01_005165,Fc1nccc(n1)-c2ccc(cn2)-n3cccc3 -MOL_01_005166,CCc1cc(c(CC)cc1F)CC(O)C(=O)CNC(=O)C2CCCCC2 -MOL_01_005167,Nc1ccc(cc1C)/C=N/NC(=O)c(c2O)ccc(c23)N3 -MOL_01_005168,c1cccc(c12)CN=C2N(CCN)CCc3ccccc3 -MOL_01_005169,O=C(F)c1cccnc1C2C#CNCC2 -MOL_01_005170,CCc1ccc(cc1)CN(C)C(=O)C2C=CC(O)N(C2)CC3CCCCC3 -MOL_01_005171,NCc1cc(C(F)O)cnc1N(CCF)CCF -MOL_01_005172,CCCc1ccc(cc1)NC(O)c2cccc(c2)-n3ccnc3 -MOL_01_005173,CC(C)(C)OC(=O)C1=C(F)C(=O)N(C1)Cc2ccccc2 -MOL_01_005174,FC(F)(F)c1c(F)c(ccc1)C(O)N2CC(O)N(CC2)Cc3ccncc3 -MOL_01_005175,FNc1ccc(cc1)-c(c(NF)c2F)cc(c23)c(NF)c(NF)c(c3F)NF -MOL_01_005176,CNc1ccc(cc1)N2CC(CN)=NC2NC(O)c3ccccc3 -MOL_01_005177,CNCNCC(=O)c1ccc(cc1)Cc(c2)ccc(c23)cc(cc3)-c4cccc(N)c4 -MOL_01_005178,NNc1ccc(cc1CN)-c2cc(ccc2)-c(c(O)c3)cc(c34)cccc4NN -MOL_01_005179,CNc1cc(ccc1F)-c2cc(cnc2F)-c3ccc(cc3)N4CCNCC4 -MOL_01_005180,FCNCCNC(O)c(n1)cnc(c12)cc(cc2)Cc3ccc(CF)cc3 -MOL_01_005181,Fc1ccc(cc1)NCC(F)NC(F)NCc2cc(F)ccc2-c3ccncc3 -MOL_01_005182,Oc1cc(C(F)O)c(c(n1)O)CCc2cccc(c23)cccc3 -MOL_01_005183,NCC=1C(C)=CC(=O)C(C12)=CC(=C2)c3ccccc3 -MOL_01_005184,C1N=C1C(F)NCC(N)c2ccc(nc2)CCc3ccc(cc3)NCCF -MOL_01_005185,Oc1cncc(c12)NC(O)(O)CC(=N2)F -MOL_01_005186,c1cccc(c12)ccc(c2)NC(O)CCC(O)c3ccc(F)nc3 -MOL_01_005187,c1ccccc1-c2cc(ccc2CN)Cc3ccc(cc3)CC(C)O -MOL_01_005188,Cn1nccc1C(=O)NCc2ccc(cc2)CNC(O)(O)c(c3)ccc(c34)CCC4 -MOL_01_005189,FC(F)Nc1cnc(cc1)C(O)CNC(F)c2ccc(F)c(F)c2 -MOL_01_005190,COC1CCN(CC1)C(O)CCc(c2C)c(C)nc(n23)ccc3 -MOL_01_005191,OC1OCC(=O)N1CC(=O)Nc2ccccc2F -MOL_01_005192,c1ccccc1C(NNC(N)N)CCc2ccc(cc2)-c3ccccc3 -MOL_01_005193,COc1ccc(cc1)NNc2cnc(F)nc2-c3ccccc3 -MOL_01_005194,FC(F)Cc1cnc(cc1)N(F)C(O)CCCn2ccnc2 -MOL_01_005195,c1ccccc1C(CN)C(c2ccncc2)c3ccncc3 -MOL_01_005196,NCc1c(F)c(F)c(CC(=O)CCl)c(c1F)CN -MOL_01_005197,CNC(O)c1ccc(nc1)N2CCN(CC2)C(O)N3CCNCC3 -MOL_01_005198,C1CCCCC1N(C2CC2)C(O)CNC(C3)CCc(n34)ncn4 -MOL_01_005199,CCc1ccc(c(c1)CC)C(O)CCC(O)NC(=O)Nc2ccccc2F -MOL_01_005200,NCc1cccc(c1)-c2cccc(c2)NC(F)NC3CCCCC3 -MOL_01_005201,CCc1ccccc1CCC(O)NC(=O)c2ccccc2 -MOL_01_005202,n1cccc(c12)cccc2CNC(O)NNC(F)Nc3ccccc3 -MOL_01_005203,Fc1ccc(cc1F)NC(=O)CCC(O)Cc2ccc(F)c(F)c2 -MOL_01_005204,C1C=NCC1Nc2cc(ccc2C)CNC(O)C3=CC=NCC3 -MOL_01_005205,CC(O)c1ccc(F)c(c1)NC(=O)NC(CC2)CC2(O)O -MOL_01_005206,C1CCCCN1CC(O)Nc2cccc(c2)C(O)Nc3cccc(C(F)(F)F)c3 -MOL_01_005207,CCC(O)c1cc(C)c(O)cc1O -MOL_01_005208,CN(F)c1nccn1CC(O)Nc2ccc(cc2)Nc3ccc(F)nc3 -MOL_01_005209,CN(C)c1cc(C(F)N)c(cc1F)Nc2ccc(C(F)F)cc2 -MOL_01_005210,CNc1cccc(c1)CN(C(CC2)CC2(O)O)C(O)c3cccc(F)c3 -MOL_01_005211,O=Cc1ccc(cc1)-c2cccc(c2)-c3cc(F)cc(c3)C4NCNCN4 -MOL_01_005212,FCc1c(CN)c(N)c(F)c(c12)Cc3c(C2)cccc3 -MOL_01_005213,NC(F)(F)NC(CN)C(N)c1cccc(F)c1 -MOL_01_005214,c1ccccc1C(O)(O)CC2CC(=O)C(N2)Nc3ccccc3 -MOL_01_005215,CNc1ccccc1N2CCN(CC2)CCC3COC(CN3)Nc4ncccn4 -MOL_01_005216,CC(N)c1ccc(cc1)Nc2nc(F)cnc2C(F)N -MOL_01_005217,Fc1ccc(F)cc1CC(O)CNc2ccc(cc2)C(O)Nc3ccccc3F -MOL_01_005218,Cn1cccc1C(O)N(CC2)CCC23CCCN(C3)Cc4ccc(CN)cc4 -MOL_01_005219,CNc1cc(NN)cc(c1)C(F)NN2CCN(CC2)Cc(c3)ccc(c34)cc(F)cc4 -MOL_01_005220,CC(=O)c1cccc(c1)/C=C/C(O)Oc2ccccc2C -MOL_01_005221,Cc(c1)ccc(c12)NC(C(N2)O)CC(=O)NCCC(CC(C)C)CC(C)C -MOL_01_005222,c1ccccc1C(c(c23)cc(F)cc2)NNC(N3)NCF -MOL_01_005223,CCCC(O)c(c1O)ccc(c12)cc3c(c2)CCC3 -MOL_01_005224,NCn1cc(cc1CF)CN2CCC(CC2)CN3CNCCN3 -MOL_01_005225,C1NNCN1C(=O)Nc2cccc(c23)c(ccc3)CC(F)N4CNCN4 -MOL_01_005226,c1ccccc1CC(N)C(N)Nc2ccc(F)c(F)c2 -MOL_01_005227,OC(F)c1cncnc1Nc2cccc(C(F)(F)F)c2 -MOL_01_005228,CN(F)c1ccc(F)c(c1)NC(O)CN2CCN(CC2)CCCc3ccccc3 -MOL_01_005229,CNC(O)c1cccc(c12)Nc3c(N2)cccc3 -MOL_01_005230,NC(N)c1ccc(cc1)/C=C/C(O)Nc(c2)ccc(c23)NCNC3 -MOL_01_005231,n1cccnc1NC2CNC(CN2)CCN3CCN(CC3)c4cccnc4 -MOL_01_005232,FCNNc1ccc(cc1)NCNC(c2ccccc2)c3ccccc3 -MOL_01_005233,c1cccc(c12)cc(O)c3c2ccc(c3)C(O)(O)C4CC=CCN4 -MOL_01_005234,Nc1ccccc1Cc2cc(N)cc(c2)CCC(O)C3CC=CCC3 -MOL_01_005235,COc1cc(CCO)ccc1NCC(F)CN2CCCNC2 -MOL_01_005236,CCc1ccc(cc1CC)NC(O)c2ccc(cn2)C(C)O -MOL_01_005237,C1CC=NCC1C(CN)C/C(C2NCNCN2)=C/c3ccccc3 -MOL_01_005238,OC(F)NNCC(=O)Nc1ccc(C(F)(F)F)nc1 -MOL_01_005239,Nc1ccc(c(N)c1)C(C=2)=CC(C23)=C(C=C3)c4ccccc4 -MOL_01_005240,CCc1ccc(cc1)CCNC(O)N2CCCC(C2)c3nccn3C -MOL_01_005241,COc1cc(OC)c(C(=O)Cl)c(C(=O)F)c1 -MOL_01_005242,FC(F)c1cc(C(F)F)nn1CC(O)NNC(F)Nc2ccc(CF)cc2 -MOL_01_005243,CN(C)c1ccc(cn1)C(F)c2ccc(cc2)NC(=O)/C=C/c3cccnc3 -MOL_01_005244,Fc1ccccc1Nc2ccnc(n2)Nc3ccc(C(F)F)nc3 -MOL_01_005245,N1CNCNC1C(O)c(c2)ccc(c23)NCC3 -MOL_01_005246,Cn1cc(cn1)C(C)Nc2nc(F)ncc2CCl -MOL_01_005247,CCc1cccc(c1)NCCC(=O)c2cccc(c2)C(F)O -MOL_01_005248,Oc(c1)cc(F)c(c12)c(O)nc(n2)O -MOL_01_005249,c1ccccc1C(=O)C(C(O)=C2C=C2)Oc3ccccc3 -MOL_01_005250,CN(C)C(=O)c1cc(C(=O)F)cc(F)c1O -MOL_01_005251,CCCc1ncccc1C(F)CCC(O)Oc2ccc(C(F)F)cc2 -MOL_01_005252,CCc1cc(ccc1F)C(=O)NOC(C)CCNc2ccc(C(F)F)cc2 -MOL_01_005253,COc1ccc(CN)cc1/C=C/C(=O)c2ccc(cc2F)NCC=O -MOL_01_005254,c1cnccc1C(=O)NCC(O)Nc2ncc(F)c(F)c2F -MOL_01_005255,c1ccccc1C(N)(N)CC(N)Cc2ccccc2C(N)/C=C/c3ccc(NC)cc3 -MOL_01_005256,O=C1CC(=O)C(C(=O)N1)CCc2ccc(O)c(F)c2 -MOL_01_005257,Cc1ccc(cc1)C(O)CCC(O)N(CF)CC(=O)Nc2c(F)cccc2F -MOL_01_005258,Cc1ccc(CN)cc1-c2ccc(cc2)NC(N)C3CC=CCN3 -MOL_01_005259,CCC(=O)C(CC1)CCC12C(O)C(CCN2C)Cc3ccccc3 -MOL_01_005260,CCc1ccc(cc1)-c2ccc(F)c(c2)C(=O)CC(O)C(=O)F -MOL_01_005261,C1NCCNC1CC2CN=C(F)N2CNc3cc(F)ccn3 -MOL_01_005262,OCc1cc(CC=O)c(cc1NC)CCCCCCF -MOL_01_005263,CN(C)c1ccc(F)c(c1)CCNC(O)NCC(O)Nc2cccc(F)c2 -MOL_01_005264,Fc1nc(F)c(F)nc1C(=O)/C=C(\F)NCCc2ccc(F)cc2 -MOL_01_005265,Fc1ccc(cc1)Cn2ccc(N)c(c2=O)Nc3ccc(CF)cc3 -MOL_01_005266,CCN(CF)CCNC(NC(F)O)(c1ccccc1)c2ccccc2 -MOL_01_005267,c1cccc(c12)cc(c(O)c2CC(C)O)Cc3ccccc3 -MOL_01_005268,CNC(O)c1ccc(cc1)NC(O)NNc2nc(F)cc(n2)CCF -MOL_01_005269,Cc1ccc(cc1)/C=C/C(O)c2c(NC)ccc(c23)ccc(c3)O -MOL_01_005270,Oc1ccc(cc1C)Oc2cc(C)nc(c2)NCc3ccccc3 -MOL_01_005271,OC(F)CNc1ccc(cc1)-c2ccc(F)c(c2)NC(O)c3cccnc3 -MOL_01_005272,Cc1nc(Cl)cc(O)c1C(=O)c2ccccc2 -MOL_01_005273,Cc1cccc(c1)NCC(F)CNCCNc2ccc(cn2)-n3ccnc3 -MOL_01_005274,FCNc1cnccc1C(O)NC2CCN(CO2)Cc3ccccc3 -MOL_01_005275,Fc1cn(F)c(n1)C(F)N2CCN(CNC2)Cc3cccnc3 -MOL_01_005276,Fc1ccc(cc1)CC(=O)Nc2cnc(C(F)(F)F)cc2F -MOL_01_005277,c1cccc(c12)ccc(c2C(C)O)OC(O)N(C)C -MOL_01_005278,Fc1ncncc1C(O)N2CCC(CC2)Nc3ccc(F)nn3 -MOL_01_005279,CNC(F)CNc1ccc(c(c12)cccc2)C(O)Nc3cccc(F)c3 -MOL_01_005280,CCCCNC(O)C(=O)CCC(C)CC(=O)Nc1ccc(F)cc1F -MOL_01_005281,CC(N)c1cccc(C(C)N)c1NC2NCCN2 -MOL_01_005282,c1ccccc1-c(c2)ccc(c23)cc(cc3)C(=O)NC4=CC(O)=C4 -MOL_01_005283,CCC(CC)C(=O)c1cccc(c1)C(O)Nc2ccccc2 -MOL_01_005284,FCN(CF)CCNC(O)c1ccncc1Nc2c(F)ccnc2F -MOL_01_005285,Oc1ccc(F)cc1NC(N)CNc2ccccn2 -MOL_01_005286,FCC(=O)c1ccc(cc1)CNC(=O)Nc(c2)ccc(c23)CCCC3 -MOL_01_005287,OC(F)Cn1c(CF)cnc1NCc2ccccc2F -MOL_01_005288,Fc1cnc(cc1C)NCCC(O)NCc2ccc(F)cc2 -MOL_01_005289,Cc1cc(ccn1)NC(=O)C2CN(C#CN2)Cc3ccccc3 -MOL_01_005290,CC(C)(C)CC(=O)c1ccc(cc1)NC2CC=NCC2 -MOL_01_005291,Oc1nc(F)nc(c12)cc(cc2)C(F)O -MOL_01_005292,NCc1ccc(nc1)CNNC(F)Nc2cc(C(F)(F)F)ccc2F -MOL_01_005293,Oc1ccc(nc1)C(O)Nc(c2)ccc(c23)CCC3 -MOL_01_005294,CNCC1NC1c2cc(F)ncc2CF -MOL_01_005295,c1ccccc1NC(=O)CCc2ccccc2/C=C3/NC(O)NC3O -MOL_01_005296,CC(N1)NC(C12)NC(N2)c3ccc(cc3)-c4ccccc4 -MOL_01_005297,CNc1ccccc1-c(c2)cc(O)c(c23)cc(cc3)CN -MOL_01_005298,OC(O)OCc(c(F)n1)cc(c12)cc(F)cc2 -MOL_01_005299,NCC(O)C1=CCCC1c2cccc(N)c2 -MOL_01_005300,Fc1cc(F)ccc1C(=O)NNC(O)C2CCN(CC2)C(=O)CCCl -MOL_01_005301,CN(F)C(O)c1cn(cc1CF)-c2ccc(C(F)O)cc2 -MOL_01_005302,Fc1cc(F)ccc1C(O)Nc2ccc(cc2)C3CNCCN3 -MOL_01_005303,FCc1cccc(c1)NNNC(F)C(F)Nc2ccccc2CC(F)(F)C(F)F -MOL_01_005304,NC(N)c1ccc(cc1)CC(=O)C2Nc(c23)cccc3 -MOL_01_005305,Fc1ncc(cc1C)NNc2ccc(cc2)C(F)Nc3ccccn3 -MOL_01_005306,c1cccc(c12)cc(cc2C(CN)CN)-c3ccccc3 -MOL_01_005307,C1CC1NC(O)NNc2n(CN)c(nc2)CCc3ccccc3 -MOL_01_005308,c1ccccc1C(O)Nc2ccccc2C(O)N3CNN(CN3)Cc4ccccc4 -MOL_01_005309,c1cccc(c12)NN(OC2)NC(=O)Cc3ccc(cc3)-c4ccccc4 -MOL_01_005310,CNc1c(CN)cc(cc1NC)Cc2ccc(cc2)-c3ccccc3 -MOL_01_005311,Fc1cc(F)cc(c1)Nc2nc(nc(n2)C3CN3)NC4CNCN4 -MOL_01_005312,O=C1NCCC1N2CCN(NC2)c3ccc(F)cc3 -MOL_01_005313,FC(N1)CNc(c12)cc(cc2)C(F)(F)NCCc3ccc(NC)c(c3)NC -MOL_01_005314,CC(C)CCNC(=O)c1ccccc1Cc2cccnc2 -MOL_01_005315,FC(F)NC(O)NCc1cc(ccn1)N2CCN(CC2)C3CCNCC3 -MOL_01_005316,CN(C)c1ccccc1CN(CNC2)CC2(F)C(O)NCCF -MOL_01_005317,Fc1cccc(c12)NC(ON2C)Nc3ccc(cc3)Nc4ccncc4 -MOL_01_005318,c1ccccc1C(=O)CC(C(=O)F)Cc2cccc(c2)NC(F)CF -MOL_01_005319,CC(C)(C)C(=O)CCC(N=1)=CC(=O)C(C12)=CC(=C2)C3CCCCC3 -MOL_01_005320,OC1CCCC(O)C1Cc2ccc(F)c(F)c2 -MOL_01_005321,Fc1cnc(cn1)C(O)NC(c2ccccc2)Cc3ccccc3 -MOL_01_005322,c1cnccc1Nc2cc(Cl)nc(n2)N3CCCCC3 -MOL_01_005323,Fc1ccccc1CC(=O)NCC(O)Nc2cc(F)ccc2F -MOL_01_005324,Cc1ccc(cc1)CNC(=O)Cn2cccc2C(O)c3ccccc3 -MOL_01_005325,C1C=CCNC1C(O)(O)c(c2)ccc(c23)CCNC3 -MOL_01_005326,CCc1cc(OC)ccc1C(O)Nc2ccc(C(F)O)cc2 -MOL_01_005327,FC(F)(F)c1ccc(cc1)C2=NNC(C2)C(O)NCCc3ccc(F)cc3 -MOL_01_005328,c1cccc(c12)cc(c(c2)N)-c3ccc(cc3)-c4ccccc4CN5CC=NCC5 -MOL_01_005329,CC1=CC=C(C1=2)C=C(CO)C2NC(O)Cc3ccccc3 -MOL_01_005330,NCCc1cnc(n1NC(=O)NCF)Cc2ccccc2 -MOL_01_005331,NC1NNC(N=N1)Nc2ccc(C)c(c2)-c3cccc(c3)CNc4ccccc4 -MOL_01_005332,C1NCNC1NC(O)NNc2nccn2-c3ccccc3F -MOL_01_005333,CN(F)c1ccc(cc1)C(O)NCC(=O)NCC2CCCN2 -MOL_01_005334,CCCCNC(O)CCc1ccccc1O -MOL_01_005335,FNC(O)/C=C/c(c1)ccc(c12)CN(C2O)Cc3ccc(cc3)-c4ccncc4 -MOL_01_005336,OCc1cnccc1-c2cc(F)cc(F)n2 -MOL_01_005337,NCc1ccccc1CCC(O)CCc2ccncc2ON -MOL_01_005338,C1CCCC1C(O)N2CCC(OC2)Nc3ccncn3 -MOL_01_005339,CCc1cc(cc(c1F)CN)/C=C(/NF)c2ccccn2 -MOL_01_005340,CCc1ccccc1NC(=O)CC(O)Nc2ccccc2CF -MOL_01_005341,O=C(F)C1CCN(CC1)c2ccc(N(F)F)c(c2)C(F)O -MOL_01_005342,NCc1ccc(cc1)C(C)c2ccnc(F)c2CN -MOL_01_005343,CCc1ccc(cc1)CCNC(=O)CN(C2O)C(O)c(c23)cccc3 -MOL_01_005344,CCc1nn(C)cc1C(O)NCC(O)Nc2cccnc2 -MOL_01_005345,Cc1cccc(c1)CN(CC2)CC23CN=C(C3)C(O)NCC(C)C -MOL_01_005346,CCC(F)(O)C1=CCC(CC1)C(O)(O)c(c2)ccc(c23)cccc3 -MOL_01_005347,N1NNCCC1C(N)(c(cc2)ccc2F)c3ccc(F)cc3 -MOL_01_005348,CNc1ccc(F)cc1NC(F)c2cccc(c2)C(O)NC3CCC(F)CC3 -MOL_01_005349,CCc1cc(NC)cc(c1)NC(=O)N2CCC(C(F)O)NC2 -MOL_01_005350,OC(O)Nc1cc(ccc1CN)CC2=C(C)CN(C)CC2 -MOL_01_005351,OCCCC(O)c(c1)ccc(c12)C=CCN2 -MOL_01_005352,c1ccccc1C2=CC=C(C2=O)NC(=O)Cc3ccccc3 -MOL_01_005353,CCc1cc(F)cc(F)c1C(=O)COc2ccc(C(F)O)cc2 -MOL_01_005354,NN(O)c1nccnc1NC(=O)c2c(F)cccc2F -MOL_01_005355,OC1CC(CC1O)c2ccc(NF)c(NF)c2 -MOL_01_005356,c1ccccc1C(=O)C(C)(N)N(C)Cc2ccccc2F -MOL_01_005357,c1ccccc1C(F)(c2ccccc2)C(=O)NNCc3ccc(cc3)NCC(F)O -MOL_01_005358,CCc1ccc(nc1)C(O)Cc(c2)ccc(c23)CCNC3 -MOL_01_005359,Fc1ccc(cc1F)-n2cc(O)c(c2O)Cc3ccccc3 -MOL_01_005360,c1cccc(c12)c(F)cc(n2)NNC(NCF)CNCc3ccccc3 -MOL_01_005361,FCc(c1F)c(O)cc(c12)cc(c(c2)C(F)O)NC(F)O -MOL_01_005362,FCNc1ccccc1-c2ccc(cc2)C(F)Nc3ccc(C(F)(C)N)cc3 -MOL_01_005363,C1CCCCC12CN(C(O)NC)C(NC2)Nc3ccccc3C(F)(F)F -MOL_01_005364,CNCCC1c(cccc2O)c2C(O)c(c13)c(O)ccc3 -MOL_01_005365,CCc1ccc(cc1)CN(C(C)C(O)NC)C(F)(F)c2ccc(cc2)NC(=O)C -MOL_01_005366,CCc1cc(NC)c(NC)cc1CCn2ccc(F)c(F)c2=O -MOL_01_005367,FCc1cc(F)cc(c1)C(O)CCC(O)CC2CC2 -MOL_01_005368,Cc1nc(F)ccc1C(O)CCC(O)Nc2ccccc2 -MOL_01_005369,c1cnccc1C(O)Nc2nccc(c23)c(F)ccc3 -MOL_01_005370,OC(F)c(nc1)cc(c12)ccc(c2)OCc3cccc(c3)CCF -MOL_01_005371,OC(F)Cc1cnc(nc1)OC(O)c2ncc(cn2)Nc3cnnc(C(F)(F)F)c3 -MOL_01_005372,c1ccccc1C(=O)NC(=O)CNC(O)c2ccc(N(F)O)cc2F -MOL_01_005373,Fc1ccc(cc1)OC(O)c2nc(ncc2F)CCc3ccccc3F -MOL_01_005374,Cn1cncc1C(C)NC(F)NCCNc2ccc(F)c(F)c2 -MOL_01_005375,OC(F)Nc1ccnc(c1)C(O)N2CCN(CC2)Cc3ccccc3 -MOL_01_005376,OCc1ccc(cn1)CCC2=CC#CC2C(=O)Cc3ccc(CC)nc3 -MOL_01_005377,Cc1ccnc(n1)NC(O)CNC(O)c2ccc(F)cc2F -MOL_01_005378,NC1CCC(NC1)NNc(c2)ccc(c23)cccc3Nc4cccc(c4)CC(F)(F)F -MOL_01_005379,c1cccc(c1=2)=CC(=O)C2c3ccccc3N -MOL_01_005380,Cc1ccc(c(n1)C(F)O)CCC(=O)N2CCCCC2 -MOL_01_005381,Cc1cc(F)cnc1CCC(=O)N2CCC(CC2)c3ncccn3 -MOL_01_005382,OC(O)c1ccccc1C(O)NCCCC(F)Nc2c(F)c(F)cc(F)c2F -MOL_01_005383,O=NC1=CCC(C(CF)C1)c2ccc(F)cc2O -MOL_01_005384,Fc1cnccc1CNN2CCN(CC2)c3ccccn3 -MOL_01_005385,OC(N1)CNc(c12)ccc(c2)NC(=O)C3CCN(CC3)c4ccccc4 -MOL_01_005386,CNC(=O)C(CC(C)C)C(C1)CCCc(c12)cc(O)cc2 -MOL_01_005387,Cc(c1)ccc(c12)c(O)c(C(O)CC)cc2CC -MOL_01_005388,CNC(=O)CNC(=C)C(C=1)=CC(C12)=NC(=C2)C(CC)CC -MOL_01_005389,Fc1ccc(nc1)Cn2ccnc2NCC(F)NC3CNCN3 -MOL_01_005390,Cn1cc(F)c(c1NC)CNCc2ccc(cc2)CC(F)N -MOL_01_005391,Cc1cccc(c1)NC(O)c2ccccc2NC(=O)C(C)(C)C -MOL_01_005392,O=CNc1c(Cl)cn(c1Cl)-c2ccc(C(F)O)cc2 -MOL_01_005393,Cc1cccc(c1)CC(O)CNCC(F)Nc2ccccc2N3CCCC3 -MOL_01_005394,CNc1c(CN)cccc1C(O)NC2NCNc(c23)cccc3 -MOL_01_005395,Cn1cc(C(F)(O)O)nc1CC(O)CCF -MOL_01_005396,c1ccccc1CNNc2cc(CF)c(cc2)NCc3ccc(F)nc3 -MOL_01_005397,ClC(Cl)(Cl)C(O)Cc1cccc(c12)nccn2 -MOL_01_005398,CCC(O)N1CCN(C1)C(=O)c2ccc(Cl)cc2 -MOL_01_005399,Fc1ccnc(c1)C(F)Nc2cncc(c2)Cc3cncnc3 -MOL_01_005400,FCCCCn1cc(ccc1=O)C(O)NCc2ccc(F)cc2F -MOL_01_005401,FCN1CNc(c12)ccc(c2)NCCCC3CNN(CN3)c4ccc(F)cc4 -MOL_01_005402,Fc1nc(ccc1)NC(=O)NC(O)/C=C/c2cccnc2 -MOL_01_005403,NCc1ccc(cc1)CC(=O)C(N2)CNc(c23)cccc3 -MOL_01_005404,FCNC(O)c1cc(ccc1F)NCc2cc(F)ccc2F -MOL_01_005405,COCCN(C)CC1CN(CC1CF)c2nc(C)cc(F)n2 -MOL_01_005406,Cc1c(N)c(N)cc(c12)cc(C(Cl)(Cl)N)cc2-c3ccccc3 -MOL_01_005407,c1cccnc1C(c2ccccn2)NNC(O)N3CCN(CC3)c4ccccc4 -MOL_01_005408,FCCCCCNC(O)Nc1ccc(nc1F)NCc2ccc(F)cc2 -MOL_01_005409,CCc1ccc(cc1)CNC(=O)Cn2cc(N(F)F)nc2C -MOL_01_005410,CC(=O)CNCC(O)C(CN)Cc1ccc(cc1)-c2ccccc2 -MOL_01_005411,C1CCC12C(C2)C(O)NCC(=O)N3CCN(CC3)Cc4cc(F)ccc4F -MOL_01_005412,Cc1ccccc1C(N)Nc2ccccc2C(O)CCC=O -MOL_01_005413,c1ccccc1CNCC(=O)Cc2c(O)c(C)cc(c23)cccc3 -MOL_01_005414,c1cccc(c12)C(CN)c3c(CC2F)c(cc(c3)CN)Cc4ccccc4 -MOL_01_005415,CCc1cc(ccc1F)C(O)(O)Nc2ccccn2 -MOL_01_005416,c1cccnc1C(=O)NCNCNC(=O)c2cc(F)ccc2F -MOL_01_005417,Cn1cc(Cl)c(c1F)OC(=O)OCc2ccc(F)cc2F -MOL_01_005418,Fc1cnc(cc1)NC(=O)NC(F)(F)c2cccc(c2)C(F)O -MOL_01_005419,Fc1cc(F)ccc1NC(O)N2CCC(N2)c3ccccc3 -MOL_01_005420,Fc1cccc(c1)C(F)Nc2cncc(n2)N3CCNCC3 -MOL_01_005421,Cc1ccc(cc1ON)C(N)(C2)c(c23)cccc3 -MOL_01_005422,O=C(F)CNCC(=O)C(C1)CCc(c12)cc(F)cc2F -MOL_01_005423,O=C(C=1)C=c(c12)ccc(c2)C(O)(O)CNc3ccccc3NC -MOL_01_005424,CNC(O)N1CCN(CC1)Cc2ccncc2C(F)(F)CF -MOL_01_005425,FCCNc1cc(ccc1CN)NC(O)NCNCn2cncc2F -MOL_01_005426,CNc1ccc(c(C(F)F)c1)Nc2ccc(C(C)O)cc2C(F)C -MOL_01_005427,N=CCCC(NC1)Cc(c12)cccc2C(N)O -MOL_01_005428,CNc1cc(ncn1)Nc2ccc(c(F)c2)NC(O)Nc3ccccc3 -MOL_01_005429,CC(C)(C)c1cc(c(F)c(c1)C(F)(C)C)CNCC(=O)c2ccncc2 -MOL_01_005430,Fc1ccc(cc1)NCCN(C)C(O)c2cn(nn2)C3CCC(F)CC3 -MOL_01_005431,Oc1nccc(c12)c(ccc2)NC(O)c3ccc(C(F)(F)F)cc3 -MOL_01_005432,FCCN1CCN(NC1)Nc(n2)nc(F)c(c23)cccc3 -MOL_01_005433,Cc1ncc(c(n1)O)C(O)CCC(=O)Nc2ccc(C(C)C)cc2 -MOL_01_005434,CCc1ccc(cc1CC)CC(=O)CCc2cc(F)ccc2N -MOL_01_005435,c1cccnc1NC(O)c2cccc(c2)C(F)(F)N3CCN(F)CC3 -MOL_01_005436,NNCCCNCCNc1ccc(F)cc1CCF -MOL_01_005437,CNC(O)CCc1c(C(=O)C)ccc(F)c1F -MOL_01_005438,C1CNCCC1NCc2cc(NC)c(cc2)CCc3ccc(F)nc3 -MOL_01_005439,OC(F)N1CCC(CC1)CN(C)C(O)c2ccc(cc2)C(F)(F)Nc3ccccc3 -MOL_01_005440,c1cccc(c12)NC(NC2O)c3ccc(F)cc3 -MOL_01_005441,N1CNCNC1c2ccc(cc2)C(F)(F)CCCNC3c(cccc4)c4CCc(c35)cccc5 -MOL_01_005442,Fc(c1)ccc(c12)NC(c3ccncc3)NC(N2)c4ccc(C(F)F)cc4 -MOL_01_005443,C1=CCCNC1CC(C)CNCC(C2=O)=C(O)C=C(C2=3)C=CC3 -MOL_01_005444,CCNCc1cc(NCC(=O)C)cc(c1)-c2ccccc2 -MOL_01_005445,COc1ccc(F)cc1NC(F)Nc2nc(F)cc(F)n2 -MOL_01_005446,CC(O)C(C)(CF)CCc1ccc(cc1O)-c2cc(F)ccc2F -MOL_01_005447,CN(C)C(=O)c1cc(ccn1)NC(O)N(CNC(F)F)C2CN2 -MOL_01_005448,c1ccccc1C(N)C(O)Cc2cc(ccc2O)-c3ccccc3 -MOL_01_005449,c1ccccc1N(C)CC(O)c2ccc(cc2)C3=CCC(CN)NC3 -MOL_01_005450,C1CCCN1C(=O)c2ccc(NCF)c(NF)c2 -MOL_01_005451,Oc1cccc(n1)CN(C(O)CC2)C23CCNCC3 -MOL_01_005452,c1cncn1-c2ncc(cc2)C(=O)COc3ccccc3F -MOL_01_005453,Cc1ccc(cc1)C(O)CC2=C(CCO)C(=O)C=C2CF -MOL_01_005454,c1ccccc1CNC(O)c2cccc(c2)CCc(n3)ncc(c34)cccc4 -MOL_01_005455,Cc1cc(O)nc(F)c1NC(=O)Nc2ccccn2 -MOL_01_005456,O=CC(F)(C(=O)F)Cc1cnc(n12)cc(F)cc2 -MOL_01_005457,CNc1ccc(cc1)C2=CC(=C)C(=C2)C(=O)CNCC -MOL_01_005458,CN1C(=O)C(N(C)C1=O)Oc2ccc(cc2)CCc3cccc(F)c3 -MOL_01_005459,CCc(c1)cc(CC)c(c12)C(O)N(C2O)CCF -MOL_01_005460,Cc1ccc(C(F)F)c(c1)NCC(F)CN2CCN(CC2)C(O)NCF -MOL_01_005461,CNc1ccccc1-c2cccc(c23)cc(cc3)C(O)(O)Cc4ccccc4 -MOL_01_005462,CCC1CCC(C1)c2cc(N)c(N)cc2C -MOL_01_005463,CCCC(C)NC(CN)c1ccnc(c1)Nc2ccc(NF)cc2 -MOL_01_005464,c1ccccc1-c2nc(F)cc(n2)NCCCN3CCC(F)CC3 -MOL_01_005465,CN(C)CCCOC(O)c1cccc(c12)nc3c(n2)cccc3 -MOL_01_005466,C1CCCNC12C(O)=C(C(O)C2)C3CC=CC3 -MOL_01_005467,Fc1cc(ccc1)NC(C)C(O)N2CCN(CC2)c3ncccn3 -MOL_01_005468,Fc1ccc(cc1)NCc2n(CC)c(nn2)OCc3ccccc3 -MOL_01_005469,Nc1cccc(c12)c3c(C2N)cccc3 -MOL_01_005470,Fc1cnc(cc1)CC(=O)N(C#C2)CCC23CCNCC3CCF -MOL_01_005471,Fc1ccc(cc1)NC(=O)CC(O)c2cccc(F)c2 -MOL_01_005472,O=C(F)Nc1ccc(F)c(c1)C(=O)/C=C/c2ccccc2 -MOL_01_005473,Cn1cc(c(c1)N(F)O)C(O)NC2CCCC2 -MOL_01_005474,FC(F)Nc(nc1O)cc(c12)cc(NF)cc2F -MOL_01_005475,c1cccc(c12)cccc2CC(=O)C(NCNNC(N)N)NCc(c3)ccc(c34)cccc4 -MOL_01_005476,FC(F)Nc1cccc(c1)CN2CCC(NC2)C(F)N3CCNCC3 -MOL_01_005477,c1ccccc1C(O)(O)CCc(c2)ccc(c23)C(NC3)C(N)O -MOL_01_005478,Cc1ccc(cc1C)C(O)CCC(O)Nc2ccccc2 -MOL_01_005479,c1cccc(c12)CNC(N2)C(=O)Nc3ccc(F)cc3 -MOL_01_005480,c1cccc(c12)c3c(CC2)ccc(c3)CNc4ccc(NN)cc4 -MOL_01_005481,CC(=N)Cc1ccc(cc1)-c2ccccc2N -MOL_01_005482,C1CNCC1CCNC(O)CCCn2c(F)cc(c23)cc(F)cc3 -MOL_01_005483,c1ccccc1CNC(O)CC(C(O)N2)=Nc(c23)cccc3 -MOL_01_005484,C1CCCCC1C(=O)NNc2cncc(n2)-c3ccccc3 -MOL_01_005485,CNc1cnc(F)cc1NC(O)N2CCN(CC2)c3ccccc3NC -MOL_01_005486,CN1CCN(CC1)C(O)c2ccc(cn2)CNc3ccc(CF)cc3 -MOL_01_005487,CNc1ccc(cc1)C(O)C(NC(F)F)Cc2ccc(F)cc2F -MOL_01_005488,C1=CC=CC1=CCC(O)NCN(C(O)NC2)c(c23)cccc3 -MOL_01_005489,c1cccc(c12)C(NC2F)Nc(c3)ccc(c34)NCN4 -MOL_01_005490,FCc1ccc(cc1)NCC2NCC(=O)N(N2)Cc3ccccc3 -MOL_01_005491,CNc(n1)ncc(c12)nc3c(n2)cc(F)cc3 -MOL_01_005492,CCc1cccc(c1)C(O)Nc2cc(C(F)(F)F)cnc2F -MOL_01_005493,OCc1cc(C(F)O)ccc1NCC(C)c2ccccc2 -MOL_01_005494,Cc1ccccc1-n2ncn(c2=N)-c3ccccc3 -MOL_01_005495,FCCNCNCCCCNCCc1ncnc(c12)cccc2 -MOL_01_005496,CCN(CC)CCNC(O)c(n1)cnc(c12)cc(F)cc2 -MOL_01_005497,c1ccccc1CN(O)c2ccccc2CC(F)NCNc3ccccc3 -MOL_01_005498,CNc1ccc(cc1)NC(O)c(n2)ccc(c23)nccc3 -MOL_01_005499,Nc1ccccc1C(O)Cc2cc(cc(c23)cccc3)-c4ccccc4 -MOL_01_005500,CCC(N)c1cccc(CN)c1N -MOL_01_005501,FC(O)c1ccc(F)c(c12)cc(cc2)C(O)N3CCCCC3 -MOL_01_005502,Cc1cc(F)nc(n1)NCC(O)c2ccc(F)cc2F -MOL_01_005503,FCc1ncc(cn1)C(=O)N(C)C(F)c(c2)ccc(c23)CCCC3 -MOL_01_005504,Cc1cc(O)c(CCN)c(c1)-c2ccccc2 -MOL_01_005505,C1=CC(N)=C(C1=2)C=C(C2)c3ccc(N)c(N)c3 -MOL_01_005506,OC(F)c1cc(ccc1F)NC(O)NCc2ccc(F)c(F)c2 -MOL_01_005507,FC(F)c1ccc(cc1)NCC(O)N2CCN(CC2)CCc3ncccn3 -MOL_01_005508,c1cccc(CCN2)c1C23NCNN3 -MOL_01_005509,Fc1cc(ccc1)[N+]([O-])(F)c2ccc(cc2)NC(O)CCc3cccnc3 -MOL_01_005510,OC(N1)CC(F)Nc(c12)cc3c(c2)nc4c(n3)cccc4 -MOL_01_005511,FC(Cl)NC(O)NNCc1ccc(nc1)N2CCCCC2 -MOL_01_005512,CNc1cc(ccc1F)CCNc2nc(N3CCCC3)nc(n2)N4CCCC4 -MOL_01_005513,CNC(NC)CNC(=O)c1ccc(cc1)N2CCCC2O -MOL_01_005514,CCc1ccc(cc1)CNC(O)c2ccc(cc2)NC(O)N(C3)Cc(c34)ccnc4 -MOL_01_005515,NC(F)c1ccc(cc1)CNC(N2F)=CN(F)c(c23)cccc3 -MOL_01_005516,O=C(F)NNC(O)c(n1)cc(F)c(c12)cc(F)cc2 -MOL_01_005517,CN(C)CC(=C)C(O)c1ccc(cc1)CC(F)(F)c2ccc(cc2)C(=O)N(C)C -MOL_01_005518,Nc1ccccc1CC2CN=C(CN2)c3ccc(cc3)CN4CC=NCC4 -MOL_01_005519,O=c1n(C)c(=O)nc(n1C)NC(=O)CCc2ccc(F)c(F)c2 -MOL_01_005520,CCC(CC)C(=O)C(CN)Cc1cc(F)c(F)c(C(F)F)c1 -MOL_01_005521,Oc1nc(F)nc(c12)ncc(n2)C(F)O -MOL_01_005522,CCC(C1O)c2ccc(c(c2c13)ccc3)C(=O)CCN -MOL_01_005523,FCc1cc(cc(F)c1)C(O)Nc2cc(F)nc(F)n2 -MOL_01_005524,C1C(C2)CC(C3)CC1CC23NC(=O)CNC(O)c4cccc(F)c4F -MOL_01_005525,C1NCCNC1NCNC(Cl)c2ccc(cc2)-c3ccccc3 -MOL_01_005526,Fc1cccc(n1)CCc2cncc(n2)CNc3cccc(F)n3 -MOL_01_005527,Fc1ccc(cc1)NC(O)c2ncccc2NCc3ccncc3 -MOL_01_005528,Cc1ccc(cc1)NC(=O)COc2ccc(cc2)/C=C3/NC(O)NC3O -MOL_01_005529,CNc1ncc(F)c(n1)NCc2ccc(cc2)NC(O)c3ccc(F)cc3 -MOL_01_005530,NC(F)(F)C(C=1)=NC(C12)=NC(=C2)CNCF -MOL_01_005531,CCc1ccccc1NC(=O)C(NN)C(NF)NCl -MOL_01_005532,c1ccnc(c12)CCN(N2)C3NCCN3 -MOL_01_005533,Nc1nc(F)c(C(Cl)O)c(N)c1C(Cl)O -MOL_01_005534,FCc1ccc(C)cc1NCCCC(C(=O)C2)C(=O)C2(C)C -MOL_01_005535,CNC(O)c1cccc(c1)-c2cc(ccc2C)CC(F)NN3CCNCC3 -MOL_01_005536,CNc1ccc(cc1CN)C(C(F)N(C)CF)c2ccc(CN)c(c2)CN -MOL_01_005537,ClNC(O)CCc1cc(cn1C)C(O)Cc2ccccc2 -MOL_01_005538,c1cc(F)cc(c12)nc(O)c3c2c(O)c4c(c3)cc(F)c(F)c4F -MOL_01_005539,c1cccc(c12)nc(n2C)CCc3nc(N)cc(n3)N -MOL_01_005540,OCc1ccccc1/C=C(/C(=O)CC)C(O)CC -MOL_01_005541,c1ccccc1Cc2cccc(c2)CC(=O)c3ccc(NC(F)CO)cc3CN -MOL_01_005542,Cn1cccc1C(=O)C(CN)Cc2ccc(F)cc2 -MOL_01_005543,CCNC(O)Nc(c1)ccc(c12)Nc3c(cccc3)N2C(O)CCN(CC)CC -MOL_01_005544,Fc1ccccc1NC(=O)c2ccc(cc2)NC(O)/C=C/c3cccnc3 -MOL_01_005545,NCc1ccc(c(C(F)(F)F)c1)C2CCC(N)C2 -MOL_01_005546,CC(C)N(C(F)F)C(O)Cc1ccc(cc1)-c2ccc(C(F)O)cc2 -MOL_01_005547,CC(C)(C)CC(O)CCc1cccc(c1)C(O)O -MOL_01_005548,Fc1cccc(F)c1C(O)NC(O)Nc2ccc(nc2)CNCNCF -MOL_01_005549,NNC(O)/C=C1\CNC(O)N1c(c2)ccc(c23)cccc3 -MOL_01_005550,C1CCCC1C(=O)NCC(CCO)c2ccccc2 -MOL_01_005551,FNC(=O)CCc1ccc(cc1)CC(C(O)NC2CC2)c3ccccc3F -MOL_01_005552,FCOC(F)CN(CC1(F)F)C(=O)CN(C1)C(O)c2ccc(F)cc2 -MOL_01_005553,CNc(c1)c(NC)cc(c12)c(F)c(CNC(N)C(N)N)c3c2ccc4c3cc=5c(c4)=NCN5 -MOL_01_005554,NCN(C)C(C1O)Nc(c12)cccc2 -MOL_01_005555,CCN1CCC(CC1)CCC(O)Cc2ccccc2N -MOL_01_005556,C=C(O)C1=NC(NC(=O)N)NC1c2ccccc2 -MOL_01_005557,c1ccccc1NC(O)N2CC(CN)Nc(c23)cccc3 -MOL_01_005558,C1CCC1C(O)Nc2cccc(c2)C(O)N3CCCCC3 -MOL_01_005559,Cc1ccc(cc1)-n2cc(F)c(n2)C(=O)NCF -MOL_01_005560,CNCNc1cc(ccc1N)-c2c(N)cc(N)cc2C=N -MOL_01_005561,Fc1cc(F)ccc1C(=O)NC(O)(O)c2ccc(F)c(F)c2 -MOL_01_005562,OC(F)C1CN(C1)c2nccnc2Nc3ccc(cc3)Nc4ccccn4 -MOL_01_005563,CN(C)c1cc(C)cc(c1O)Cc2cc(C)c(CN)cc2N -MOL_01_005564,CNC(O)CC(C1)=C(O)Cc(c12)cccc2 -MOL_01_005565,OCc1cccc(c1)CCC(O)Nc2ccc(C(F)O)cc2 -MOL_01_005566,NCC1(C)Cc(c12)ccc(c2F)C(N)N -MOL_01_005567,Oc1c(F)cccc1C(=O)Cc2ccc(CO)cc2 -MOL_01_005568,CNC(C1O)=C(F)C(O)c(c12)cccc2 -MOL_01_005569,Fc1ccc(cc1)NC(F)Nc2cccc(c23)nnc(F)c3 -MOL_01_005570,NC(N)c1cccc(c1)C23C(C2)C=C=N3 -MOL_01_005571,FC(F)c1c(F)nc(cc1)NCC(O)NNC(O)c2ccncc2 -MOL_01_005572,c1ccccc1-c2cc(ccc2F)NCCNC3NCN(CN3)c4ccccc4 -MOL_01_005573,c1ccncc1C(CC(=O)N)Nc2cccc(c2)NC(O)CCCNC(F)F -MOL_01_005574,NCc1cccc(c1)CC2NCNCC2c3ccccc3 -MOL_01_005575,c1ccccc1CC(O)(O)C(NC2)Cc(c23)cccc3 -MOL_01_005576,FC(F)(F)C(C(F)(F)F)NC(F)N1CC(C1)c2ccnc(n2)N3CCCCC3 -MOL_01_005577,O=CC/C=N/c(cc1)cc(c12)CCN2 -MOL_01_005578,c1ccccc1C(c2ccccc2)N3CC(=O)N(C3=O)CN4CCNCC4 -MOL_01_005579,c1cccc(c12)Cc3c(C(N)C2(O)O)cccc3 -MOL_01_005580,Cc1cccc(NN)c1NNNCN(CNC2)CC2(c3ccccc3)c4ccccc4 -MOL_01_005581,c1ccccc1C(O)NC2CCN(CC2)C(O)Nc3ccc(F)cn3 -MOL_01_005582,OCNCc(n1)nc(F)c(c12)ccc(F)c2 -MOL_01_005583,c1ccccc1Cn2cnc(c2O)CCNC(O)C34CC5CC(C3)CC(C5)C4 -MOL_01_005584,FCCC1C(=O)C(OC1=O)Cc2ccc(cc2)-c3ccc(F)cc3 -MOL_01_005585,OC(O)C1C=C(O)Nc(c12)ccc(c2)N -MOL_01_005586,Cc1ccccc1CCC(O)CCC(O)Nc2ccc(F)cc2 -MOL_01_005587,c1cccc(c12)cc(C)c(CC(N)O)c2-c3ccccc3 -MOL_01_005588,Fc1ccc(cc1)NC(O)NCCN2CCN(CN2)Cc3c(F)cccc3F -MOL_01_005589,Cc1ccc(N)c(c1)CC(O)C2CCCc(c23)cccc3 -MOL_01_005590,COc1ccc(cc1)C(N(F)C)NC(O)(O)c2ccc(F)nc2 -MOL_01_005591,c1ccncc1CCc2cc(cnc2CC)C(C)C3CNCNC3 -MOL_01_005592,Fc1ccc(cc1)Cc2c(O)c(ccc2)NC(O)NCc3ccccc3 -MOL_01_005593,Cn1cccc1NCCNC(O)C2CCN(CC2)C(=O)C3CCCC3 -MOL_01_005594,Fc1ccc(cc1)Nc2c(NC)c(ncn2)Nc3ccc(C(F)F)cc3 -MOL_01_005595,COC(N)NC(=O)c(c1)ccc(c12)cccc2 -MOL_01_005596,CNC(O)c1cnncc1NC(O)c2cccc(F)c2 -MOL_01_005597,CN(N)CNc1cccc(n1)NC(O)c2ccccc2N -MOL_01_005598,Fc1cc(CN)c(cc1C)NC(O)CC2CCC(CC2)C(=O)C3CC3 -MOL_01_005599,Oc1cnc(c(n1)O)-c2cccc(F)c2 -MOL_01_005600,CCC(=O)Nc1ccc(F)c(c1)NC(F)NC(O)CCc2ccc(F)cc2 -MOL_01_005601,CN1CCCC(C1)C(O)Nc2cccc(Cl)n2 -MOL_01_005602,c1ccccc1C(NC)C(=O)NC2CCCCCCO2 -MOL_01_005603,Cc1cccc(c1)Nc2nc(NC(=O)CN3CCCCC3)nc(n2)NC(O)NC4CCNCC4 -MOL_01_005604,Cc1cccc(c1)CC2=CC(N)(N)c(c23)cccc3 -MOL_01_005605,c1ccccc1-c2ccc(O)c(c2)NCC(O)NCc3ccccc3 -MOL_01_005606,Nc1ccccc1OC(O)c2cccc(c2)NC(O)c3ccccc3 -MOL_01_005607,OC(N1)Nc(c12)c(ccc2)NCNC(N3)Cc(c34)cccc4 -MOL_01_005608,CC(=O)CC1NCCC1Cc2ccc(C(F)(F)F)nc2 -MOL_01_005609,Cc1cn(C)c(O)c1C(O)c2ccc(C(F)(F)F)cc2 -MOL_01_005610,Fc(c1)c(F)cc(c12)c(C3CC3)cc(c2O)C(F)O -MOL_01_005611,CCCc1ccc(cc1)CC(O)CCC(C(=O)C=2)=C(O)C(C23)=CC=C3 -MOL_01_005612,CCc1cc(CC)c(cc1CC)C(O)NC(CC2(C)C)CC(N2)(C)C -MOL_01_005613,Fc1cnc(cn1)NC(NC2)NC23C4CCN(C3)CC4 -MOL_01_005614,C1CNCN1C(=O)c2ccc(cc2)NC(O)Nc3ccc(F)cc3F -MOL_01_005615,Cc1cccc(c1)C(C(O)C2=N)Cc(c23)cccc3 -MOL_01_005616,CNc1ccc(c(c1)C(C)O)CC(=O)CC(C)c2ccccc2 -MOL_01_005617,C1CCCC1CC(=O)CCCc2c(O)ncc(c23)cncc3 -MOL_01_005618,c1ccccc1/C=C(C2O)/CC(O)c(c23)cccc3 -MOL_01_005619,NOc1cc(C=O)cc(F)c1CCc2ccc(C(F)O)cc2 -MOL_01_005620,C1CCCC1NC(=O)NC(=O)CCC(O)Cc2cccc(C(F)(F)F)c2 -MOL_01_005621,FNc1ccc(cc1)/C=N/Nc(n2)cc(F)c(c23)cccc3 -MOL_01_005622,Fc1ccc(cc1)CC(C(=O)C)Nc2ccc(cc2)Nc3ccccc3 -MOL_01_005623,Cc1ccc(cc1)NC(O)NC(N)(N)c2ccc(cc2)-c3ccccc3 -MOL_01_005624,FC1CNCCN1C(O)Nc2ccc(cn2)CC(F)(F)F -MOL_01_005625,Cc1cccc(c1)CC(=O)CC(C(=C2)C(O)N)=C(C2=3)C=CC3 -MOL_01_005626,FNc1ncc(cc1)NC(=O)NC(=O)c2cccnc2 -MOL_01_005627,Cc1ccc(cc1)C2(NC(=O)NC2O)c3ccc(CC)cc3 -MOL_01_005628,c1cccc(c12)c(F)nnc2CNC(O)NCc3ccc(NCF)cc3 -MOL_01_005629,c1ccccc1N(C2O)C(N)c(c23)cccc3 -MOL_01_005630,Cc1ccccc1C2NCN(CN2)CNc3ccc(cc3)CNc(c4)ccc(c45)C=NCN5 -MOL_01_005631,FCC(O)NNCN(c1cc(NF)ccn1)c2ccccc2 -MOL_01_005632,c1cncnc1C(CCN(C)CC(F)O)Cc2ccc(C(F)(F)F)cc2 -MOL_01_005633,NNc1cc(ccc1C)Cc2c(N)cc(cc2)CN3CC(O)CC3=O -MOL_01_005634,NC(O)NCN1CC(CC1)c2ccc(C)cc2O -MOL_01_005635,C1CNCCN1NC(=O)C2CCC(F)N(C2)Cc3cccc(C(F)(F)F)c3 -MOL_01_005636,NCc1ccc(c(c1)CN)C(F)CCC(F)c2cccc(c2)-n3cncn3 -MOL_01_005637,c1ncncc1Cc2cc(C)c(cc2O)NCc3ccc(F)cc3 -MOL_01_005638,c1cccnc1C(O)c2ccc(cc2)NC(F)C(F)(C(F)F)C(F)F -MOL_01_005639,NCc1cccc(c1)-c(c2)ccc(c23)N4C(N3)NCNC4 -MOL_01_005640,Fc1ccc(cc1)NC(=O)CCc2ccc(cc2CF)CNC(F)(F)CF -MOL_01_005641,CCC(CN)CCNc1cccc(c1)Nc2cccc(c2)-c3ccccn3 -MOL_01_005642,Fc1cc(cc(F)c1)CCC(O)Nc2ccccc2N3CNCNC3 -MOL_01_005643,c1ccccc1C(=O)N(CNC(=O)F)Cc2ncc(F)cc2F -MOL_01_005644,c1cccnc1CC(NN)C(O)Nc2ccc(F)cn2 -MOL_01_005645,O=C(F)c1ccc(cc1)/C=C/Cc2nnc(F)c(c23)cccc3 -MOL_01_005646,CNc1ccc(cc1)NC(F)C(=O)N2CCN(CC2)Cc3ccccc3 -MOL_01_005647,Fc1cc(N(F)O)ccc1C(=O)Nc2cccc(F)c2 -MOL_01_005648,CC(O)CCC(C1O)=Cc(c12)cccc2 -MOL_01_005649,c1ccccc1C(C(=O)C(O)CC)CC(=O)c2ccccc2 -MOL_01_005650,CCCC(O)N1CCC(CC1)c2ccc(C(Cl)O)cc2 -MOL_01_005651,c1ccccc1C(F)(CN)N(C(F)O)CCc2ccccc2 -MOL_01_005652,CC(O)Nc1ccc(cc1)C(F)Nc(n2)cnc(c23)cccc3 -MOL_01_005653,Fc1ccc(cc1C)C(O)(O)CCc2cnccc2C(C)C -MOL_01_005654,CCc1ccc(cc1C(F)O)Nc2ccc(NC)c(c23)cccc3 -MOL_01_005655,Fc1ccc(cc1)CNC(O)C2CCN(CC2)C(O)(O)Cc3ccccc3 -MOL_01_005656,Fc1cnc(nc1)NC(O)Nc(c2)ccc(c23)C(O)NC3 -MOL_01_005657,FCn1cc(cn1)CN(C)C(F)(F)c2ccc(NC(=O)F)cc2 -MOL_01_005658,O=C(F)c1ccccc1C(O)(O)CC(O)N2CCCCC2 -MOL_01_005659,C1CNCCN1CCNC(O)Nc2ncccc2NCc3ccccc3 -MOL_01_005660,FC(O)c(c1)ccc(c12)nc3c(c2O)ccc(F)c3 -MOL_01_005661,c1cccc(c12)cc(c(c2N)CNCNC)-c3ccc(C(N)N)cc3 -MOL_01_005662,NC(F)Nc1ccc(cc1CN)C2N(Cc3ccccc3)CCN2Cc4ccccc4 -MOL_01_005663,O=C1NC(O)C(C(O)N1)CCc(c2)ccc(c23)cc4c(c3)cccc4 -MOL_01_005664,C1C=NC(N12)c3c4c(cc(CN2)cc4)c(O)c5c3cccc5CN -MOL_01_005665,c1cccc(c12)c(C)c(c(O)c2C)C(O)Cc3ccccc3 -MOL_01_005666,CN1CNc(c12)nc(F)nc2F -MOL_01_005667,CC(O)(O)NC(=O)c1ccc(cn1)NC(F)O -MOL_01_005668,CNC(=O)c1cc(ccn1)Cc2ccc(cc2)/C=C/c3ccccn3 -MOL_01_005669,Oc(c1)ccc(c12)c(CCCO)cc(c2)CCCO -MOL_01_005670,FCNCc1ncncc1NCNC(F)(F)c(c2)ccc(c23)ccnc3 -MOL_01_005671,FNNC(O)C(F)CC(=O)CNc1cccn1Cc2cc(F)cc(F)c2 -MOL_01_005672,NC1CCCCC1C(=O)CCc(n2)ccc(c23)CCC3 -MOL_01_005673,C1CNCCC1CNC(O)c2ccccc2-c3ccc(F)cc3 -MOL_01_005674,Cc1c(F)cccc1Nc2nc(F)nc(n2)CNc3ccc(NF)cc3 -MOL_01_005675,Nn1ccc(cc1=O)NCc2cc(CF)c(NF)c(NF)c2 -MOL_01_005676,Fc(c1)ccc(c12)nc(cc2F)NNCc3nccc(F)n3 -MOL_01_005677,C1N=NCNC1N(CCC)c2cccc(c2)CN -MOL_01_005678,OC1NC(O)/C(N1C)=C\c2cc(C(C)(C)C)c(F)c(c2)C(C)(C)C -MOL_01_005679,FC(F)NC(N)c1ccc(cc1)NC2CN(C2)c3ncc(cn3)C4CC4 -MOL_01_005680,Nc1ccc(cc1F)CC(F)C(O)NCCc2ccc(F)c(F)c2 -MOL_01_005681,NCc(c1)ccc(c12)cc(cc2)C(N)N(N)c3cc(F)c(F)c(F)c3F -MOL_01_005682,FCCC(=O)Nc1ccc(cn1)Nc2cccc(NF)c2 -MOL_01_005683,CC(C1)=Nc(c12)ccc3c2cc4c(c3F)cccc4CC(N)O -MOL_01_005684,CNCCCCc1ccc(cn1)C(O)N(C)Cc2cccc(F)c2 -MOL_01_005685,O=C1CCC(N1)C(=O)CCc2ccccc2 -MOL_01_005686,O=C(F)c1ccccc1NC2NC(O)NC2=O -MOL_01_005687,c1cccc(c12)CCC(C2)NNC(=O)NCC(C3)CCc(c34)cccc4 -MOL_01_005688,c1ccccc1CC(O)C2=C(C2)C(O)(O)c3ccccc3 -MOL_01_005689,CC1CCN(CC1)CC2=NC(=NC2=O)c3cnccn3 -MOL_01_005690,FNc1ncc(cc1)C(=O)NNNc2cccc(NF)c2F -MOL_01_005691,OCc1cccc(c1)CC2CCC(CC2)C(O)Cc3ccccc3 -MOL_01_005692,Fc1cc(cc(F)c1)N2CC(O)N(CC2O)OCc3ccccc3 -MOL_01_005693,Clc1ncnn1C(O)c2ccc(F)c(F)c2F -MOL_01_005694,NCc1ccc(cc1)NC2NC(C(=O)N2CN)=C=C3C=CC=C3 -MOL_01_005695,C1CNCCC1C(O)Nc2cccc(c2)NCc3ccc(cc3)-c4c(F)cccc4F -MOL_01_005696,Cc1cccc(c1)-c2cccc(c2N)NC3CC=NC3 -MOL_01_005697,CN(Cl)c1cccc(c1)Nc2nc(CN)nc(n2)N3CCNCC3 -MOL_01_005698,c1ccccc1C(=O)/C=C/c2ccc(nc2)NC(O)Nc3ccc(F)cc3 -MOL_01_005699,OC(F)c(c1)cnc(c12)c(F)c(cn2)C(F)O -MOL_01_005700,c1cccc(c1C23N)NC(N2)c4c(N3)cccc4 -MOL_01_005701,O=c1ccn(c(n1)O)Cc2ccc(nc2)NCCCN3CCNCC3 -MOL_01_005702,CNc1ccc(cn1)-c2ccncc2NC -MOL_01_005703,O=C(N=1)N=C(O)C(C12)=NC(=C2)NC(F)O -MOL_01_005704,Nc1ccc(cc1)-c2ccc(cc2-c3ccc(N)cc3)C(F)NCNNc4ccccc4 -MOL_01_005705,Nc(c1)cc2c(c(c3c12)N)c(c3)CC(=O)Cc4ccccc4 -MOL_01_005706,Oc1ccc(cc1N)CC(=C)CCc2ccccc2 -MOL_01_005707,O=C(F)C1CCC(O)N(C1)c2ccc(Cl)c(F)c2 -MOL_01_005708,C1CC(C)c(c12)c(N)c(cc2C)CCN -MOL_01_005709,c1ccccc1CC2(N)C(C(=O)CC2=O)C3CCC3 -MOL_01_005710,CN1CCN(CC1)C(O)CNC(CCN)Cc(c2)ccc(c23)CCC3 -MOL_01_005711,NCc1ccc(cc1)-c2ccc(cc2)OCCCN3CNC(F)NC3 -MOL_01_005712,CCCC(O)c1ccc(nc1)Cc2nc(CC)nc(n2)OC -MOL_01_005713,C1=CC=C(C12)CN(CCN)CC(C=2)C(=O)c3ccccc3 -MOL_01_005714,Cc1ccc(cc1)-n2cc(CF)c(c2)C(O)NC(F)OF -MOL_01_005715,CNc1ccccc1N2CCN(CC2)CNCCNC(O)c3cccn3C -MOL_01_005716,c1ccccc1-c2cc(cc(c2)C3CNNN3)CNNc4ccccc4 -MOL_01_005717,Fc1ccc(cc1)NC(O)N2CCC(CC2)NC(F)c3cccc(F)c3 -MOL_01_005718,Cc1ccccc1NC(O)C2CCCN2CCCCO -MOL_01_005719,CCc1cc(CC)nc(n1)NC(=O)NC(O)c2c(F)cccc2F -MOL_01_005720,c1ccccc1C(O)c2cc(F)ncc2NCCNc3ccccc3 -MOL_01_005721,Fc1ccc(cc1)C(=O)NC2NCN(CN2)Cc(c3)ccc(c34)cccc4 -MOL_01_005722,c1ccccc1CC(O)Cc2ncc(C)cc2C(C)O -MOL_01_005723,CC1=CC(CC1F)c2cccc(c2)CCc3ccccc3C(=O)N -MOL_01_005724,OCC(=O)c1ccccc1NC(O)N2CCN(CC2)CCCc3ccccc3 -MOL_01_005725,FC(F)(F)CNC(O)CNc1cc(C)cc(c1)-c2ccccc2 -MOL_01_005726,O=C1CCC(C1)CC(O)c2ccc(cn2)C(=O)C3CCCCC3 -MOL_01_005727,Cc1ccc(C(=O)O)cc1CC(=O)C2CCCC2 -MOL_01_005728,c1ccccc1-c2c(O)cc(cc2O)C3=CCNCCC3 -MOL_01_005729,NC(F)C(CF)NCc1cccc(n1)NCc2ccccc2F -MOL_01_005730,FCNC(O)Nc1ncccc1NCc2ccccc2F -MOL_01_005731,FC(F)C(O)Nc1cccc(c12)c(F)cc(c2)C(O)N(F)F -MOL_01_005732,Oc1cc(F)c(c(F)n1)C(O)NCc2ccccc2 -MOL_01_005733,CCCNc1ccc(cc1)C(O)CCN2CCN(CC2)C(O)NCF -MOL_01_005734,c1ccncc1CN(C)CC(O)N2CC(C2)Nc3ccccc3CF -MOL_01_005735,Nc1ccc(cc1)C(O)c2ccccc2C3=NCN(N)NC3 -MOL_01_005736,NCc(c1)ccc(c12)cccc2CCCC(=O)N -MOL_01_005737,c1cccnc1C(O)NCCN2CCN(CC2)c3ccc(F)c(F)c3 -MOL_01_005738,Nc1ccc(cc1)C2NNC(N)Cc(c23)cc4c(c3)CCC4 -MOL_01_005739,c1cccc(c12)c(ccc2)NC(O)C3NCN(CN3)C(N)(N)c4ccc(cc4)NCC -MOL_01_005740,c1cccc(c12)cccc2NCC(O)Cc3ccccc3C(F)O -MOL_01_005741,c1ccccc1CC(NCC)C(O)Nc2ccccc2 -MOL_01_005742,C1CC1C(O)NCc2ccc(cc2)C(O)Nc3cc(ccc3F)-c4ccccc4 -MOL_01_005743,Oc1ccc(nc1)NC(O)c2ccc(F)cc2 -MOL_01_005744,CC(O)Nc1ccc(cc1)N/C=C(\CF)C(F)(O)c2ccc(F)cc2 -MOL_01_005745,CCc1ccc(cc1)-c2cc(O)c(C(C)O)cc2CC -MOL_01_005746,C1NCNN1c2ccc(cc2)C(O)CNN3CCC(=CN3)Cc4ccccc4 -MOL_01_005747,C1CCNC1C(O)NCc2cn(cn2)-c3ccc(F)cc3 -MOL_01_005748,FC(F)(F)c1cc(ccc1)CCC(=O)CCC(=O)NC2CCCC2 -MOL_01_005749,Cc1ccc(C(O)(O)N(C)C)cc1NC(F)NC(C)CCC(C)C -MOL_01_005750,OC(F)c1cc(ccc1F)NCNNCC(F)Cc2ccccc2 -MOL_01_005751,OCNC(N)(N)c1ccc(cc1)NC2CN=C(CN2)c3ccccc3 -MOL_01_005752,C1OC(O)NCCCCc(ccc2F)cc2Oc(ccc13)cc3 -MOL_01_005753,CNc1ccc(c(c1)NC)C(=O)CCc2ccc(F)c(F)c2 -MOL_01_005754,CNc1ncccc1C(O)NCCc2ccccc2 -MOL_01_005755,ClC1(Cl)CC(O)C(=C(F)N1)CCc2ccccn2 -MOL_01_005756,OC(O)C1CCCc(c12)ccc(c2)C3=CCC(O)CC3 -MOL_01_005757,c1ccccc1-c2cc(F)c(nn2)NCCCN3CCNCC3 -MOL_01_005758,c1ccccc1CCC(O)C(=C(C)C(O)C2)C23CCC(C)CC3 -MOL_01_005759,Cn1c(O)cc(c1F)C(=O)CCCc2ccccc2 -MOL_01_005760,C=CCNC(O)Nc1ccc(cc1)NCc2ncc(F)n2CCO -MOL_01_005761,Cc1cc(F)nn1CC(O)NNNC(F)Nc2ccc(C(C)C)cc2 -MOL_01_005762,CCCC(O)c1ccccc1CC(=O)CNc2ccccc2 -MOL_01_005763,C1=CC=C(C1=2)C(=O)C=C(C2)c3ccc(NN)cc3 -MOL_01_005764,OC(F)Nc1ncc(cc1)C(CN)Cc2ccncc2 -MOL_01_005765,Fc(c1)ccc(c12)c(F)cc(n2)NNc3ccncc3 -MOL_01_005766,Fc1ccc(F)cc1NC(=O)N2CNC(NC2)Nc3cccc(F)n3 -MOL_01_005767,Nc1cccc(c1)CC(O)CCC(O)c2ccccc2 -MOL_01_005768,Cc(c1)ccc(c12)C(=N)C=C(C2)c3cccc(c3)C(C)O -MOL_01_005769,Fc1ccc(cc1N)CN(C2N)C(N)c(c23)ccc(c3F)N -MOL_01_005770,OC(N1)CNc(c12)ccc(c2)NC(O)/C=C/c3ccc(C(F)(F)F)nc3 -MOL_01_005771,c1cccnc1-n2nc(nn2)C(O)NCCCCNc3ccccc3 -MOL_01_005772,COc1cccc(c1)NC(CN)C(=O)NCc2ccc(CN)cc2 -MOL_01_005773,CN(O)c1cnc(F)n1Cc2ccccc2Cl -MOL_01_005774,c1cccc(c12)CCCC2C(=O)CCC(O)CCc3cncc(F)c3 -MOL_01_005775,C1NNCCNC1CC(O)Cc2cccc(c2)-c3ccccc3 -MOL_01_005776,Cn1cnc(c12)c(F)nc(n2)F -MOL_01_005777,CNc1ccc(cc1CN)NC2Nc3cccc(c3c24)ccc4 -MOL_01_005778,OCc1ccccc1-c2ccc(cc2)NC3CCCC(O)N3 -MOL_01_005779,CC(C)Cc1ncccc1CNC(=O)c2cccnc2 -MOL_01_005780,Cc1nc(F)c(CN)c(n1)NCCCl -MOL_01_005781,Cc1cc(O)cc(c1)-c2ccc(CN)cc2 -MOL_01_005782,COc1cc(CCC(Cl)O)ccc1NC/C=C/F -MOL_01_005783,CC(F)c1ncccc1CCC(=O)N(C)Nc2ccccc2 -MOL_01_005784,CNc1ccc(cc1)CNC(=O)c2cccc(n2)C(F)O -MOL_01_005785,CCC(C)CC(CC1(O)O)Cc(c12)c(C)cc(F)c2 -MOL_01_005786,CC(C)(C)CC(O)CC(CF)CC(=O)Cc1ccc(CO)c(F)c1 -MOL_01_005787,FCCn1cnc(c12)nc(F)nc2F -MOL_01_005788,CNC(O)c1nc(ccc1O)CC(O)CC2CC2 -MOL_01_005789,Cc1ccc(cc1)C(F)(O)N2CCN(CC2)C(=O)C3CCCC3 -MOL_01_005790,Cc1ccc(cc1)C(O)(O)c(c2O)ccc(c23)cc(CN)c(c3)NC -MOL_01_005791,CCC(=O)C(NC(C)O)C(=O)CCc1ccccc1 -MOL_01_005792,c1ccccc1Nc2cc(cc(cc3)C(=O)CC)c3c(c24)ccc(c4)NNC(N)N -MOL_01_005793,Cc1ccc(nc1)CCC(CO)C(O)c2ccncn2 -MOL_01_005794,OCNCCc1cc(C2=NCNCC2)cc(c13)ccc(c3)CN -MOL_01_005795,c1ccccc1C(c(c23)cccc2)C(O)CNC/C=C\3O -MOL_01_005796,C1C=CCCC1C(=O)Cc2ccc(cc2)C(O)(O)C3CCCNC3 -MOL_01_005797,Cc1cnc(O)n1CCC(=O)CCC(O)Nc2ccc(C(=O)F)cc2 -MOL_01_005798,NC1NCC(CN1)C(N)(O)c2ccc(cc2)-c3ccccc3 -MOL_01_005799,Cc1ccc(cc1)C(O)Nc2ccc(F)cc2C(F)O -MOL_01_005800,Cn1cc(F)c(n1)C(O)NCC(=O)c2ccccn2 -MOL_01_005801,c12ccc(c(F)c2)\C=C(\N(F)O)C(F)OOC(F)CN1 -MOL_01_005802,NCC(C1O)C(=O)c(c12)cccc2 -MOL_01_005803,NCc1cccc(c1)CCC(=O)n(c2O)cc(c23)cccc3 -MOL_01_005804,FC(F)c1ccc(cc1O)-c2ccc(C(F)O)c(F)c2 -MOL_01_005805,C1CCCCC1N2C(NCC2O)Nc3ccncc3NF -MOL_01_005806,c1ccccc1NC(=O)CC2NC(NC2=O)Nc3ccc(O)cc3 -MOL_01_005807,C1CC1CC(O)CCC(O)CCc2ccc(F)cc2 -MOL_01_005808,c1ccccc1C(C(=O)N)C(N)C(=O)c2ccccc2 -MOL_01_005809,CC1(C)CC(N)C(=C1N)CC(N)CCc(c2)ccc(c23)CNC3 -MOL_01_005810,NCc1cc(cc(c1F)CN)CN2C=CN(CC2)C(F)c3cccc(c34)cccc4 -MOL_01_005811,Nc1ccccc1C(O)CCC(=O)CC2CCCC2 -MOL_01_005812,OC1(F)CC(=O)/C(C(C1)O)=C\c2ccccc2 -MOL_01_005813,N1C=C1c(c(C=O)c2O)cc(c23)cccc3 -MOL_01_005814,Oc1ccc(F)c(n1)CNc2cccc(c2)CCCF -MOL_01_005815,CN(F)CCCNc1ccc(cc1)CN2CCC(CC2)NC(O)c3ccc(F)c(F)c3 -MOL_01_005816,C1CCCCC1(CF)NC(=O)NC(O)c2c(F)cccc2F -MOL_01_005817,c1ccncc1C(F)Nc2cc(ccn2)NCCNc3cccnc3 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-MOL_01_005837,CNc1ccc(cc1)C(F)(F)N(CC(O)NF)CCc2ccc(OC)cc2 -MOL_01_005838,c1cccnc1C(F)C(O)Nc2ncc(cn2)N3CCCC3 -MOL_01_005839,Cc1ccc(c(c1)C)NOC(CN)c2cc(NC)ccc2N -MOL_01_005840,Fc1ccc(cc1)NC(O)c2ccc(F)cc2NCc3ccncc3 -MOL_01_005841,OC(F)c1ccc(nc1)N2CCNC2 -MOL_01_005842,O=C(F)CCc1ccc(c(c1)NCF)NCc2ccccn2 -MOL_01_005843,C1NCCc(c12)ccc(c2)C(O)Nc3cccc(F)c3 -MOL_01_005844,FCCc1cnc(cc1)CC(=O)Cc(nc2)cc(c23)cncc3 -MOL_01_005845,CCc1cccc(CC)c1CNc2ccc(cc2)C(=O)NC -MOL_01_005846,O=C1CCC(C(O)N1)Cc2ccc(F)cc2 -MOL_01_005847,c1cccnc1NNCC(O)N2CCN(CC2)c3ccccc3 -MOL_01_005848,N1NCC(N)C1(N)c(c2)ccc(c23)cccc3 -MOL_01_005849,OC1NCCC(N1)c2cccc(CCl)c2 -MOL_01_005850,FCN(CF)C(F)c1ccc(cc1)N(c2ccccc2)N3CNN(CNF)NC3F -MOL_01_005851,Fc1cc(cc(F)c1)NNC(NF)C(F)c(nc2)cc(c23)cccc3 -MOL_01_005852,Fc1ccc(cc1)CC(C)(C)C(=O)CCC(O)NCCc2ccccc2 -MOL_01_005853,Cc1ccc(cc1)C(=O)Nc2ccc(nc2)CCC(=O)F -MOL_01_005854,CC1CC(C(=O)N1)Nc2cccc(n2)N(F)C -MOL_01_005855,C1NCNCC1CC(=O)c2ccc(cc2)-c3ccc(cc3)C(O)CC4CC=NCN4 -MOL_01_005856,FCC(O)N(CC1)CCC12CC(O)N(C2)Cc3cc(F)cc(F)c3 -MOL_01_005857,Fc1nc(F)cc(c1CN)CC2CCC(C2)C(=O)N -MOL_01_005858,Cc1cccc(c1)NC2N=C(CNN2)C(O)c(c3)ccc(c34)cc(cc4)CN -MOL_01_005859,FNc1ccc(cc1)C(N(C)N)CNC(F)Cc(c2)ccc(c23)cccc3 -MOL_01_005860,CC(=O)N1CCCN(CC1)C(O)Cc2ccccc2 -MOL_01_005861,C1CC1C(O)CCC(O)Cc2cc(F)ccc2F -MOL_01_005862,OC(Cl)c1cc(ccc1)NC(=O)c2ccc(cc2)CC3CNC3 -MOL_01_005863,Oc1cc(O)cc(c1)CCc2ccc(F)cc2F -MOL_01_005864,c1ccccc1C(F)(c2ccccc2)C(O)NNC(F)Nc3ccc(F)cc3 -MOL_01_005865,O=C1CCCC1c2ccnc(n2)NCC34CC5CC(C3)CC(C5)C4 -MOL_01_005866,OC(F)CCC(=O)Nc1ccc(cc1)NC(O)c2ccccc2F -MOL_01_005867,NCc1cccc(c1)-c(c2O)ccc(c23)cc(CN)c(c3)CN -MOL_01_005868,NCCn1c(O)ccc1-c2ccc(F)cc2 -MOL_01_005869,CC1(N)OC(=O)CC1C(=O)NCc2ccccc2 -MOL_01_005870,Clc1ccc(cc1)C2=NC(=O)C(=C2)CNc3ccccc3 -MOL_01_005871,c1ccccc1NNc2ccc(cc2)NC(C3O)Cc(c34)cccc4 -MOL_01_005872,Nc1nc(O)c(N)c(n1)-c2ccncc2 -MOL_01_005873,Fc1nc(F)ccc1C(O)NC2CCN(CC2)Cc3ccccc3 -MOL_01_005874,C1=CC=C(C1=2)C(=O)C=C(C2)CNc3ccc(cc3)CC(=O)CCc4ccccc4 -MOL_01_005875,OC(F)CN(CC)C(O)c1cc(C)ccc1NC(F)(O)O -MOL_01_005876,CNc1cccc(c1)C(O)Nc2cc(C(F)(F)F)ccc2F -MOL_01_005877,CCCc1nc(CCN)cc(n1)Cc2ccc(cn2)CC -MOL_01_005878,Cc1ccccc1CCC(O)CCC(O)NCC2CCCCC2 -MOL_01_005879,Cc1ccc(cc1)C(=O)Cc2ccc(F)c(c2)C3(C)CCCC(N)C3 -MOL_01_005880,NN(O)c1ccc(cc1)CCNC2CC(CC2)c3ccccc3 -MOL_01_005881,OC(F)C(O)c1c(F)c(F)cc(c12)cc(F)cc2F -MOL_01_005882,Cc1ccc(cc1N)-c2cc(CN)cc(c2)CC=N -MOL_01_005883,NNC(N)(O)c1cccc(c1)-c(c2)ccc(c23)cccc3-c4ccccc4 -MOL_01_005884,C1CNCCN1CCNC(NC(F)CF)c2ccn(c2)CNC(F)(F)c3ccccc3 -MOL_01_005885,c1cc(F)cc(c12)c(cc(c2)O)CNc3c(F)cc(cc3F)C(O)NCF -MOL_01_005886,FC(F)NCNc1nc(ccc1C)Nc2nccc(n2)NF -MOL_01_005887,CC(N)c1ccccc1-c2cccc(c2)-c3cc(O)cc(c3)C4NN4 -MOL_01_005888,CNCc1ccccc1N2CN(CNC2F)Nc3ccccc3 -MOL_01_005889,O=C(F)c1ccc(nc1)N2CCNCC2 -MOL_01_005890,c1cnccc1CNCc2cc(CF)c(cn2)NCc3ccc(C(F)(F)F)cc3 -MOL_01_005891,NC(F)NCCc1cc(ccc1F)Nc2ncnc(F)n2 -MOL_01_005892,Oc1cn(C(F)O)c(c12)cccc2 -MOL_01_005893,c1ccccc1CC(n2cccc2)C(O)Nc3ccncc3F -MOL_01_005894,NCC1(C)CCC(=NC1)c2ccc(NC)cc2CC -MOL_01_005895,c1nccnc1C(O)N2CCC(CC2)Cc3ncccc3F -MOL_01_005896,Fc1ccc(cc1)CCC(=O)Nc2ccc(cc2)C(O)OCCl -MOL_01_005897,NNOOc(ccc1)c(c12)cc(c(N)c2O)-c3ccc(cc3)-c4ccccc4 -MOL_01_005898,CN=C=NCC1=CCC(CCC(C)=N)c(c12)cccc2 -MOL_01_005899,CC(O)c1cc(c(N)cn1)CC(=O)c2cccnc2 -MOL_01_005900,c1ccccc1N(N)C(=O)Cc(c2)ccc(c23)cccc3 -MOL_01_005901,Fc1cc(C(O)(O)O)c(cc1O)C2COC(O2)O -MOL_01_005902,c1ccccc1CN2CNN(CC2)C(O)c3ccc(cc3)C(F)N4CCCNCC4 -MOL_01_005903,OC1C(O)C(C)=Cc(c12)cccc2C -MOL_01_005904,CCNC(O)C1CCN(CC1)CC(=O)c2ccc(F)c(C)c2F -MOL_01_005905,FC(F)(F)c1cc(F)ccc1C(O)NN=C2CCN(CC2)C(F)NCF -MOL_01_005906,Cc1ccc(cc1)-c(c2O)c(C(O)OCC)cc(c23)cccc3 -MOL_01_005907,c1cccc(c12)CC(C2)=C(N)c3cccc(c3)C4CN=NCN4 -MOL_01_005908,OC(O)CCc1c(CC)ccc(c12)ccc(c2)O -MOL_01_005909,OC(F)CCc1ccc(cc1)CCNC(O)c2cccnc2 -MOL_01_005910,Nc1cccc(c1)NC(=O)CCCC2NCN(CNC2F)Cc3ccccc3 -MOL_01_005911,c1ccccc1CNc2c(NF)c(=O)n(cc2)Cc3ccccc3 -MOL_01_005912,CC(F)C(O)Nc(c1)ccc(c12)nn(n2)-c3ccncc3F -MOL_01_005913,CN1C=CC(C=C1)CCc2cccc(c2)NC(O)c3ccccn3 -MOL_01_005914,C1CNCC12CCN(CC2)C(O)C(F)Nc3ccc(F)cc3F -MOL_01_005915,CC(F)C(=O)c1ccc(cc1F)OCC(O)O -MOL_01_005916,O=C(C=1)C=c(c12)ccc(c2)C(N)C3CC(C3)c4ccccc4 -MOL_01_005917,Oc1ccccc1CC(CF)C(F)O -MOL_01_005918,NCc1ccc(cc1)C2=CC(NC2)C(O)c(c3)ccc(c34)cccc4 -MOL_01_005919,FCCN(O)CCC(O)Nc1ccc(nc1)C(O)NCNF -MOL_01_005920,NCc1ccc(cc1)-c2ccc(cc2)NCCCN3CCC(F)C3 -MOL_01_005921,Fc1ccc(c(F)c1)N2CCN(CN2)CCN3CCC(NC3)Nc4ccccc4 -MOL_01_005922,c1ccncc1CNC(O)c2ccc(cc2)NC(O)N(C3)Cc(c34)ccnc4 -MOL_01_005923,Oc1cc(Cl)cc(c1)CC(O)/C=C/c2ccccc2F -MOL_01_005924,CC(F)(F)NC(O)CNc1ccc(CN)c(C(F)(F)F)c1 -MOL_01_005925,CNc1ccc(cc1)NCc2cc(ccc2F)NC(F)c3ccc(F)nc3 -MOL_01_005926,FCCNC1N(C)C(O)C(\N1)=C/c(c2)ccc(c23)CCC3 -MOL_01_005927,NCc1ccc(O)c(c12)c(C)cc(c2)-c3ccccc3 -MOL_01_005928,Fc1ncccc1NCC(=O)CCC(O)NCc2ncccc2F -MOL_01_005929,CCC(=O)C(F)(C(F)(F)F)CC(O)Oc1cc(F)ccc1F -MOL_01_005930,Nc1c(C)cc(F)c(c12)ccc(c2)C(C)C(F)CCN -MOL_01_005931,FNC(=O)CC(O)N1CCN(CC1)Cc(c2)ccc(c23)NCN3 -MOL_01_005932,CC1CC(C1)C(Cl)(O)c(c2)ccc(c23)NCN3 -MOL_01_005933,Cc1ccc(cc1)NC(=O)C2(C=O)CN(N2)NNc3ccccc3 -MOL_01_005934,FNC(F)(F)c1ccc(cc1)NCNCCN2CCN(CC2)c3ncccn3 -MOL_01_005935,O=C1CC(F)C(NN1)c2ccc(cc2)NNC(CF)CF -MOL_01_005936,CCc1ccc(cc1)-c2ccc(cc2)CC3C=NCC(N)N=C3 -MOL_01_005937,c1cccc(c1=2)=CC(=N)C2c3cccc(c3)CC/C=C/CN -MOL_01_005938,ClCNc1ncc(cn1)C(=O)NC(F)C(F)c2ccccc2 -MOL_01_005939,c1ccncc1Cc2ccc(CN)c(c2)Nc3cccc(F)c3 -MOL_01_005940,CNCC(CNC)N1CC(NC1N)c(c2)ccc(c23)CCC3 -MOL_01_005941,NCc1ccc(cc1)-c2cc(C)cc(c2)-c(c(O)c3)cc(c34)cccc4NC -MOL_01_005942,FC(F)c1ccc(cc1)N(NC(F)O)CC(O)c2ccc(N(F)F)cc2 -MOL_01_005943,c1cccc(c12)C(O)N(C2O)CCCCNCCc3ccccc3F -MOL_01_005944,Nc1cc(ccn1)C(=O)NCC(F)N2CCCC2CF -MOL_01_005945,FC(F)CCNC(=O)CN1NC(CCC1O)c2ccc(F)cc2 -MOL_01_005946,NCCNCNc1cccc(c1)-c2cccc(c2)Cc3cccc(C)c3 -MOL_01_005947,Cc1ccc(cc1)C(=O)NC(F)NCC(=O)CCN2CCCCC2 -MOL_01_005948,CC(=O)CC(N1)Nc(c2c13)cc(c3C)cc2 -MOL_01_005949,NCc1ccc(CN)cc1CC(C(C)O)c2ccccc2Cc3ccccc3 -MOL_01_005950,n1cncnc1NC(=O)NNCc2cc(NCF)c(cn2)NCF -MOL_01_005951,C1CNCC1NC(O)Nc2cc(C(F)F)ccc2F -MOL_01_005952,C1CNCC1C(C(C)(O)O)Cc2ccccc2C(F)(F)F -MOL_01_005953,Fc1cccc(F)c1NC(=O)CNC(O)NCc2ccc(F)cc2 -MOL_01_005954,CC(C)(N)c1cc(O)cc(c1)CCC(O)c2ccc(CF)cc2 -MOL_01_005955,O=C(C=1)C(C)=c(c12)ccc(c2)C(O)CCCCc3ccccc3O -MOL_01_005956,OC(F)Nc1ccc(cc1)CCC(O)NCc(c2)ccc(c23)CCC3 -MOL_01_005957,NCc(c1)ccc(c12)nc3c(c2F)ccc(c3)O -MOL_01_005958,Fc1ccc(cc1)NC(O)NCc2ccc(F)nc2N(F)F -MOL_01_005959,Oc1cccc(c1)-c2cccc(c2)OC(=O)CC3CNN3 -MOL_01_005960,CC=1C(=O)C(C)=C(O)C(C12)=C(C=C2)CC(O)CCC/C=C/c3ccccc3 -MOL_01_005961,Fc1ccc(cc1F)CCC(O)NCCNC(O)NCc2ccc(F)c(F)c2 -MOL_01_005962,Nc1cccc(c1)Nc2ccc(CCl)c(c2)NCC3C=NCNC3 -MOL_01_005963,c1cccc(c12)cc(nc2)C(F)NCCCN3CCN(CC3)Cc4cnccn4 -MOL_01_005964,CCC(O)C(O)Cc1cccc(c1)CCc2ccc(C(=O)C)c(F)c2 -MOL_01_005965,c1ccccc1CNc2nc(N(C)C)nc(n2)NCC(O)Nc3ccc(F)c(F)c3 -MOL_01_005966,c1ccccc1C(=O)NCCCOc2ccc(C(F)(F)F)cn2 -MOL_01_005967,C1\C=N\C\C=N\CCNCCCc(cnc2)cc2CCCCNCC\N=C\C\C=N\c(cc13)ccc3 -MOL_01_005968,c1ccc(F)c(c12)C(O)c3c(C2O)cncc3 -MOL_01_005969,Cc1nc(C(C)C)nc(C)c1CC(O)c2ccccc2O -MOL_01_005970,CCc1ccccc1C(O)CCC(O)Nc2ccc(F)cn2 -MOL_01_005971,NCc1cncc(n1)Nc2ccc(cc2)CCC3CNC(F)N3 -MOL_01_005972,CC(C)c1ccc(cc1)C(=O)CCC(N)c2ccc(N)cc2N -MOL_01_005973,CCCC(O)CNC(=O)CCc1ccc(F)c(F)c1 -MOL_01_005974,OC(Cl)NCn1nc(O)c(c1)-c2cccc(F)c2 -MOL_01_005975,NCc1ccc(F)cc1CCNC(=O)CCc2ccncc2 -MOL_01_005976,CCc1cccc(CF)c1CCc2cncc(c2)C(=O)NC -MOL_01_005977,c1ccccc1C2(NC(CN2)N3NC3)c4ccccc4 -MOL_01_005978,COc1ccc(cc1)C(O)c2cccc(c2F)CC(F)O -MOL_01_005979,Fc1cc(ccc1)C(O)(O)N(C)CC(=O)NC2CCCC2 -MOL_01_005980,CC(N)c1cccc(c1)C2CCC(CC2)C(O)Cc3ccccc3 -MOL_01_005981,OC(F)C(F)Cc1cc(F)c(c(F)c1)Oc2cncc(F)c2 -MOL_01_005982,Cc1ccc(C(F)O)cc1NC(O)Nc2ccccc2OCO -MOL_01_005983,Cc1ccc(cc1C(C)O)C(C)(O)NC2CCC(C)CC2 -MOL_01_005984,c1ccccc1C(=O)CNC(O)c2cc(C)cc(c23)cccc3 -MOL_01_005985,OC(F)C(F)Cc1ccc(cn1)Nc2ccc(F)cc2 -MOL_01_005986,CCc(cc1)cc(c12)cc(C)c(c2)CCC(O)NCC3CCCN3 -MOL_01_005987,CNc1ccc(nc1)C2NNC(N2)CCF -MOL_01_005988,c1ccccc1NCC(O)c2cccc(c2)NCC(F)CN3CCCNC3 -MOL_01_005989,c1ccncc1CCNC(O)c2cccc(c2)OC(O)c3ccc(F)cc3 -MOL_01_005990,O=C(Cl)c1ccc(cc1F)C(O)N2CCCCC2 -MOL_01_005991,Cc1ccc(cc1)Cc2ccc(cc2)CC3=NN(CC3=O)C(O)CN -MOL_01_005992,Cn1cnc(c1C)CNCC(=O)Cc2ccccc2C(F)O -MOL_01_005993,NC(N)Cc1ncc(F)cc1CCc2cccc(c2)C(=O)O -MOL_01_005994,CNCC(O)(O)c1ccc(cc1)CCC(O)C2CCC(C)CC2 -MOL_01_005995,O=C(F)Nc1ccccc1C(O)Nc2cccc(F)c2 -MOL_01_005996,NCCNc1cnccc1C(O)NC(O)Nc2ccccc2 -MOL_01_005997,NC1NCNCN1c2cc(cc(c23)cccc3)-c4ccc(C(N)(N)N)cc4 -MOL_01_005998,c1ccccc1C(C)C(=O)c2ccc(cc2)C(O)C3(O)CC=CC3 -MOL_01_005999,OC(F)NC(=O)c1ccc(F)c(c1)NC(O)CF -MOL_01_006000,CCCC(CCN)c1ccc(C)cc1N -MOL_01_006001,CCc1ccc(C(C)O)cc1NC(F)Oc2ccccc2 -MOL_01_006002,Fc1cnccc1C(O)NC(CC2)CCC23CCC(O)N3CF -MOL_01_006003,Cc1cnc(CCN)c(c1)CCC(O)CC(=O)NC -MOL_01_006004,Fc1cc(ccn1)C(O)NCC2CCN(C2)Cc3cccc(F)c3 -MOL_01_006005,CNc1ccc(cc1)C(O)Nc(c2)ccc(c23)nccc3 -MOL_01_006006,CC(O)c1ccc(cc1)CNC(=O)c2ccc(C(F)(O)O)cc2 -MOL_01_006007,Cc1cccc(CN)c1CC(O)N(C)C2C=CCNC2 -MOL_01_006008,CC1(C)CC(=O)CC(C1)Cc2cccc(N)c2N -MOL_01_006009,CNc1ccc(cc1)-c2ccc(cc2)Cn3ccc(=O)c(N)c3F -MOL_01_006010,OC(F)c1cccnc1Nc2ccccc2F -MOL_01_006011,NNc1ccc(cc1N)OCC(N)Nc(c2)ccc(c23)C=C3 -MOL_01_006012,NCCC(O)Cc1cccc(C(F)(F)F)c1 -MOL_01_006013,c1cccc(c12)cc(cc2)NCC(=O)CCC(=O)Cc3ccccc3 -MOL_01_006014,NCc1cnc(nc1F)NCC(O)NNC(=O)CNc2cccc(c23)cccc3 -MOL_01_006015,CNc1nc(F)nc(n1)/N=C/c2ccc(F)c(c2)NCCl -MOL_01_006016,CCc1ccccc1CC(=O)CNC(O)CN(C)C(F)(F)c2ccc(F)cc2 -MOL_01_006017,c1cccc(c12)c(cc(c2)C)-c3cccc(c3)NC(N)O -MOL_01_006018,C=C(O)CNC(C=1)=C(CC)C(=O)C(C12)=C3C(=C2)CCCC3 -MOL_01_006019,C1CCCC1C(=N)C2CCCc(c23)cc(N)cc3 -MOL_01_006020,C=C(N)c1cccc(c1)CC2=CCC(C2)c3cc(C)ccc3CN -MOL_01_006021,OC(F)c1ccc(cc1)CN2CCN(C2)Cc3cc(ccn3)Nc4ccccc4 -MOL_01_006022,CCc1ccc(cc1F)NNc2ccc(NCCCF)c(c23)ccc(c3)NN -MOL_01_006023,CC/C(O)=C1\C(C)=CC=C1NC(O)c2ccccc2 -MOL_01_006024,C1CNCCN1C(C(F)F)CNCc2cccc(c23)NCN3 -MOL_01_006025,CC1CC(=O)C(C1)c2cccc(c2)C3(N)OO3 -MOL_01_006026,FC(F)(F)C(F)CCCCC(=O)CCC(O)Nc1ccccc1C -MOL_01_006027,c1ccccc1NC(=O)CCCC(O)Cc2ccc(cc2)NCN(F)F -MOL_01_006028,CN(C)C(O)C1CCCN1CC(=O)N(CF)CF -MOL_01_006029,Fc1cc(F)nc(c12)nc3c(c2O)cc(F)cn3 -MOL_01_006030,OC(F)c1cc(cnc1F)-c2ccncc2 -MOL_01_006031,OCc(c1)ccc(c12)cc(O)cc2O -MOL_01_006032,CC(=O)C(N)CC(CC1)=Cc(c12)cc(cc2)NN -MOL_01_006033,Fc1ccc(cc1)NC(N)N(CN)CC(C2)CCc(c23)cccc3 -MOL_01_006034,CN(C)c1ccc(nc1)CNCN2CCN(CC2)c3ccccc3NN -MOL_01_006035,CNc1ccc(cn1)C(O)CCc2ccccc2N -MOL_01_006036,Nc1ccc(cc1N)C(N)C(C=2)=CC(C23)=CC=C3 -MOL_01_006037,NCc1ccccc1NCc2cccc(c2)-c3ccccc3CN -MOL_01_006038,Cc(c1)ccc(c12)CC=NC2NCC(N)CNC -MOL_01_006039,Cc1ccc(cc1C)CNC(F)CC(O)CCc2ccc(C)c(N)c2 -MOL_01_006040,CNc1ccc(cc1)CC(=O)CC(C)CC(=O)Cc2cncc(C(F)(F)F)c2 -MOL_01_006041,O=C1CNC(O)N1CC(O)Nc2cc(F)ccc2F -MOL_01_006042,Fc1ncc(cc1)NCC(C)c2ccc(nn2)NCCCF -MOL_01_006043,c1ccccc1CCC(O)N2CCN(CC2)C(O)Nc3ccc(C(F)F)cc3 -MOL_01_006044,OCc1cccc(c12)C(O)N(C2O)c3ccccc3 -MOL_01_006045,OC1NC(=CC2)CC=C2CC(O)Nc(ccc13)cc3 -MOL_01_006046,CC(F)(F)NC(O)CNc1nccn1CCc2ccc(F)cn2 -MOL_01_006047,OC(F)c1ccc(cc1)NC(=O)N2C#CC(C=C2)Cc3ccccc3 -MOL_01_006048,Fc1ccccc1C(O)N/N=C(\C)CC(O)Nc2cccc(CF)c2 -MOL_01_006049,OC(F)N/C=C/c1ccc(cc1)Oc2ccc(CF)cc2 -MOL_01_006050,c1ccccc1Nc(n2)cnc(c23)nccc3 -MOL_01_006051,FCc1cc(ccc1)NC(O)C(O)NCNc2ncc(F)cn2 -MOL_01_006052,Oc(n1)c(O)cc(c12)ccc(F)c2F -MOL_01_006053,FNc1cc(cc(c1)NF)C(C)Cc2ccccc2NCNF -MOL_01_006054,C1CCCC1C(O)NC(C(=O)F)Cc2cccnc2 -MOL_01_006055,c1ccccc1NC2=C(O)C(O)=C2Nc3cc(F)ncc3F -MOL_01_006056,NC(N)CNC(C1)CN(C2)c(c3N12)cccc3 -MOL_01_006057,c1cc(N)ccc1C(c(cc2)ccc2N)N(CF)c3cccnc3 -MOL_01_006058,CCc1c(CN)ccc(c1CN)C(O)CCc2cccc(C(F)(F)F)c2 -MOL_01_006059,c1cccc(c12)cc(O)c(c2)C(O)C3=C=CCCC=C=C3 -MOL_01_006060,Nc1ccn(c(=O)n1)CC2CCC(C2=3)CC3 -MOL_01_006061,c1cccc(c12)cc(N)c(c2F)NCCNNC3CNC(NC3)c4ccccc4 -MOL_01_006062,c1ccncc1C(O)Nc2cc(C(F)F)ccc2F -MOL_01_006063,NNc1ccccc1Cc(c2)cc(c(c23)cccc3)C(F)NC(N)c4ccccc4 -MOL_01_006064,FNc1ccc(cc1)C(n2cncn2)Cc3ccccc3F -MOL_01_006065,CCc1cc(NC)ccc1CNCc(c2)ccc(c23)OCN3 -MOL_01_006066,NC(N12)N(CC1)CC(C2)NC(O)C(NC)c3ccccc3 -MOL_01_006067,N1NCCC(O)C1(C)c2ccccc2 -MOL_01_006068,c1ccccc1C(=O)NCCc2ccc(cc2)NC(F)(F)C(=O)F -MOL_01_006069,CCc(c1)ccc(c12)cc(C)c(c2)CC(C(C)O)C3NCNCN3 -MOL_01_006070,c1cccc(c12)C(O)NC(N2)c3ccccc3 -MOL_01_006071,N=C1C=CC(=C1CN)c2ccccc2 -MOL_01_006072,N1CCNCC1c2ccccc2C(O)(O)NC -MOL_01_006073,c1ccccc1C(=O)N2CCCN(C2)C(Cl)O -MOL_01_006074,FC(F)NCC(F)NC(O)CC(F)(F)Cc1cc(F)ccc1CF -MOL_01_006075,Fc1cc(ccc1)C(=O)CC(O)NCc2ccncc2F -MOL_01_006076,c1ccc(N)c(c1=2)=CC(\C2)=C\Cc3ccc(cc3)C4=NCN=CC4 -MOL_01_006077,ClCC1CC(CC1)n2cc(F)c(=O)oc2=O -MOL_01_006078,CNCCCOc1cnc(nc1)Nc2nc(=O)nc(O)n2CCF -MOL_01_006079,OC(O)c1ccc(cc1)NC(O)C(CN2)=C=C(C2=3)C=CC3 -MOL_01_006080,NCc1ccc(cc1NC)C(O)N2CCCCC2 -MOL_01_006081,Nc1cc(C(F)(F)F)nc(n1)CCc2ccc(NF)cc2 -MOL_01_006082,c1nccc(c12)cccc2C(O)NN3CCCNC3 -MOL_01_006083,Fc1ccc(cc1)N2CCN(CC2)CNCNC(F)c3ccccn3 -MOL_01_006084,Cc1ccccc1C(O)c2cc(C)ccc2CC(O)NC -MOL_01_006085,OCCNC(CCO)c1ccccc1F -MOL_01_006086,Fc1ccc(cc1)C(=O)N/N=C(/C(F)O)c2cccnc2 -MOL_01_006087,CCc1cc(CC)c(CO)c(c1)CC(O)C2=CCCCC2 -MOL_01_006088,CCCc1nc(C)nc(O)c1CN -MOL_01_006089,Fc1cc(ccc1)CNC(=O)c2cc(ncn2)C(O)NCc3cccc(F)c3 -MOL_01_006090,Cc1ccc(cc1)C(C(=O)CN)c(c(C)c2)cc(c23)ccc(c3)C -MOL_01_006091,c1cnccc1C(O)Nc2ccc(nc2)NC(O)c3ccc(F)cc3 -MOL_01_006092,FCNC(=O)c1ccc(cc1)NCc2ccc(F)nc2 -MOL_01_006093,OCc1cc(cc(F)c1F)-c2cncnc2 -MOL_01_006094,CCc1ccc(cc1N)CCCC(=O)NCc2ccccc2 -MOL_01_006095,Fc1ccc(cc1)CNC(=O)C2NCC(O)N2C3NCNCN3 -MOL_01_006096,FNc1cc(NF)c(F)c(c12)cc(cc2O)-c3ccccc3 -MOL_01_006097,c1cccc(c12)cc(cc2O)CCCC(O)O -MOL_01_006098,FCNc1nc(ccc1)NC(C(F)O)CNc2ccccc2F -MOL_01_006099,Nc1ccc(cc1F)NC(=O)CN(CF)CC(O)NC(F)(F)F -MOL_01_006100,Fc1cc(ncn1)NNC(c2ccccn2)c3ccccc3 -MOL_01_006101,NN1CNN(NC1)Cc2cc(cc(c23)cccc3)-c4ccccc4 -MOL_01_006102,O=Cc1cc(NCC)ccc1C2CCCC2O -MOL_01_006103,Fc1ncc(cc1)C(O)NNC(=O)c2cccc(c2)-n3cccc3 -MOL_01_006104,CC(C)C(C1)Cc(c12)cc(O)c3c2cc(O)cc3 -MOL_01_006105,CNc1ccc(cc1NC)C(O)CCc2ccc(F)cn2 -MOL_01_006106,CC(O)(O)N1CCCCC12CCN(CC2)Cc3ccc(F)cc3 -MOL_01_006107,FC(F)(F)c1ccc(nc1)Nc2ccc(cn2)Oc3ccccn3 -MOL_01_006108,CNC(NC)c(c1)ccc(c12)C(O)c3c(C2(F)O)cccc3 -MOL_01_006109,FC1(F)CN(C1)CCN2C(O)N(CN2)c3cccc(F)c3 -MOL_01_006110,CN1C#CC(O)N(C#C1)C(CONF)c2ccccc2 -MOL_01_006111,C1CCCN1C(O)CN(C(Cl)(O)O)c2ccc(F)c(F)c2 -MOL_01_006112,CCc1ccccc1NC(O)CNC(F)(O)c2ccccc2 -MOL_01_006113,CCc1ccc(cc1)-c(c2O)c(O)cc(c23)ccc(F)c3 -MOL_01_006114,ClNC(=O)C1CCN(CC1)C(O)c2ccccc2 -MOL_01_006115,c1ccccc1C(O)(O)CCCCNc2ccccc2 -MOL_01_006116,C=Nc1ccc(cc1)Nc2ccccc2CC(O)C3=CCCC=C3 -MOL_01_006117,CCc(c1)ccc(c12)CC(O)(O)NC2 -MOL_01_006118,NCc1c(NF)ccc(c1NC)CNC(O)c(c2)ccc(c23)cccc3 -MOL_01_006119,OC(C1)CCc(c12)cc(cc2)C(O)(O)Cc3cccnc3 -MOL_01_006120,FC(F)(F)NCC(F)CCc1cc(F)c(c(F)c1)NC2=NCCN2 -MOL_01_006121,Cc1cc(ccc1)CCC(=O)CCC(=O)Cc2ccc(cc2)C(F)C3CNCN3 -MOL_01_006122,CCc1ccc(cc1NC)CC(O)NCC(=O)N(F)CCCCF -MOL_01_006123,FCNc1ccccc1NC(=O)CNc2cccnc2N(F)F -MOL_01_006124,Cc1ccc(cc1C)CCC(=O)C2CCN(CC2)C(O)Cc3ccccc3 -MOL_01_006125,c1cccc(c12)N(CNF)C(NC2)NCc3cccnc3 -MOL_01_006126,CNCCc(c1O)ccc(c12)ccc(c2)NC3CN=NC3 -MOL_01_006127,C1CCCC12C(=O)NC(O)N(CF)C2O -MOL_01_006128,Cc1ccnc(C)c1NCCNC(F)CN(N)C2CCNC2 -MOL_01_006129,c1cccc(c12)ccc(c2N)CC(N)OC(C3)=Cc(c34)cccc4 -MOL_01_006130,CC(O)CC(=O)c1ccc(nc1)CC(O)/C=C/c2ccccc2 -MOL_01_006131,Fc1ccc(F)cc1/C(C)=N/NC(O)N2CCN(CC2)C(=O)NC(F)(C)C -MOL_01_006132,OCc1ccccc1C(O)CCNc2ccc(C)cc2 -MOL_01_006133,CN(C)C(=O)Cc1ccccc1C(O)Nc2ccccc2 -MOL_01_006134,NNc(c1O)ccc(c12)c(ccc2)CNC(O)CCc3ccccc3 -MOL_01_006135,CCc1cccc(c1)CCC(O)C(C)(C)O -MOL_01_006136,CCC1(CC)C(=O)CC(=O)C(C1O)c2ccccc2 -MOL_01_006137,Cc(c1)ccc(c12)c(cc(c2)O)CC(C)O -MOL_01_006138,NCc1ccc(cc1C)-c(c(N)c2)cc(c23)cccc3 -MOL_01_006139,C1CC1NC(O)C2CCN(CC2)C(O)c3ccc(F)cc3 -MOL_01_006140,FOc1ccc(F)nc1NCC2CCCN2 -MOL_01_006141,Cc1cccc(c1)NCc2nc(co2)CC(O)Nc3cccc(C)c3 -MOL_01_006142,Cc1ccnc(n1)CCC23C(CCC2)CN(C3)C(=O)c4ncccn4 -MOL_01_006143,NC(O)CCCC1CCC(CC1)C(F)(F)c2ccccc2C(F)(F)F -MOL_01_006144,FC(F)(F)c1ccc(cc1)NC(O)NNC(F)NCNc2ncccc2F -MOL_01_006145,OC1NCCCC1(O)Cc2ccccc2 -MOL_01_006146,OC(F)NCCCC(C(=O)F)NCc(c1)ccc(c12)cccc2 -MOL_01_006147,c1ccccc1C2=NCC(NC2)NCC(N)Nc3ccccc3C -MOL_01_006148,CCCCCCCNCC(=O)NC(=O)Cc1c(C(C)N)cccc1C(C)N -MOL_01_006149,CC(=N)CC(N)(N)c1ccc(cc1)NC(O)c2cccc(N)c2 -MOL_01_006150,CN(C)C(=O)CNc1ccc(cc1F)N(C2(F)F)C(F)NC(F)N2 -MOL_01_006151,Nc1ccc(c(N)c1)-c(c2)ccc(c23)CC(O)N=C3 -MOL_01_006152,CC(O)c1cccc(c1)-c2cc(F)c(F)c(c2)CO -MOL_01_006153,NC1(N)C=C(C)C=CC1CNCc(c2)ccc(c23)cccc3 -MOL_01_006154,N1C(C2)NC(C3)NC1CC23NC(O)NCNc4cc(F)nc(F)c4F -MOL_01_006155,c1ccccc1CC(=O)C(CC)CC(O)Nc2c(F)cccc2F -MOL_01_006156,CNc1ccc(cc1)NCN(C2=O)C(O)CC23CCCC3 -MOL_01_006157,C1CC1NC(=O)NC(=O)COc(c(F)n2)nc(c23)cccc3 -MOL_01_006158,C1NCCNN1CC(N)c2cc(cc(F)c(F)c3)c3c(c24)cc(F)cc4 -MOL_01_006159,CN(N)CCCCCCc1ccc(cc1)-n2cc(F)ccc2=O -MOL_01_006160,COc(c1)ccc(c12)cc(cc2)C(C)C(=O)C3CCCC3=O -MOL_01_006161,Nc1cc(ccc1)Cc2ccc(cc2)C(C)(N)c3ccccc3 -MOL_01_006162,NNc1ccc(cc1)C(O)NC(O)NCCC2NCC(CN2)Cc3ccccc3 -MOL_01_006163,O=C1NC(O)NC1c2ccc(F)cc2 -MOL_01_006164,Cc1ccc(cc1)C(CC(=O)N)C2CC(=O)CC2=O -MOL_01_006165,O=Cc1cccc(n1)C(O)NC2CCCC2 -MOL_01_006166,OCc1cc(F)ccc1NCOc2ccc(F)cc2CF -MOL_01_006167,CNC(=O)CCc1ccc(cc1)CNCNCC(F)CNc2ccccc2 -MOL_01_006168,CC1N=CC(CN1)Nc(c2)c(C)cc(c23)ccc(c3)NN -MOL_01_006169,C1CNCCN1C(O)c2cnc(nc2F)CNc3ccccc3 -MOL_01_006170,NCc1cc(F)cc(C2OO2)c1OCC(=O)F -MOL_01_006171,N1NC=C(N)C1(N)Cc2cccc(c2)C(=O)c3ccccc3 -MOL_01_006172,O=c1n(C)nc(O)c(c12)c(F)ccc2 -MOL_01_006173,c1ccc(C)c(c12)C(CN)c3c(C(=O)C2)cccc3 -MOL_01_006174,CC(N)c1cc(N)c(cc1CN)/C=C/c2cccc(c23)cccc3 -MOL_01_006175,Cc1ccc(cc1)C(N)(N)c2ccccc2 -MOL_01_006176,CNC(O)c1ccccc1CC(O)c2cccnc2 -MOL_01_006177,CNc1cccc(c1)CCc2ccccc2NCc3ncccn3 -MOL_01_006178,CN(C)C(F)(F)N(CC1)CC(C12N)CN(CN2)CCCc3cccnc3 -MOL_01_006179,CNCC(=O)NC1CCN(CC1)CC(O)Nc2ccccc2C(F)F -MOL_01_006180,NCc1ccc(cc1)-c(c2)ccc(c23)C(O)N=CC3 -MOL_01_006181,c1ccccc1C(O)Nc2ccc(c(C)c2)C3N=CNCN3 -MOL_01_006182,NCc(c1N)cc(CCC)c(c12)cc(CN)c(c2)Cc3cccc(C)c3C -MOL_01_006183,Nc1cccc(c12)c(F)c3c(n2)cncc3 -MOL_01_006184,Fc1ccccc1CC(=O)NCC(O)Nc2ccc(NF)cc2 -MOL_01_006185,CNc1cc(NNN)nc(c1)-c2ccccn2 -MOL_01_006186,CCCCC(C(=O)NC)C(O)(O)c1ccc(CC)cc1 -MOL_01_006187,c1ccncc1CCC(=O)NCc2ccc(cc2)C(F)Nc3cccc(F)c3 -MOL_01_006188,CCC(=N)c1ccc(cc1CN)-c2ccccc2 -MOL_01_006189,NC1c(c12)cc(O)cc2 -MOL_01_006190,C=CCc1cc(NC(O)NCC)ccc1CCC(C)CNC(C)C -MOL_01_006191,Fc1cc(F)ccc1C(O)Nc2cn(cn2)CNF -MOL_01_006192,CCc1ccc(cc1C(F)F)C(O)NCC(=O)NCc(c2)ccc(c23)CCC3 -MOL_01_006193,Fc1cc(ncn1)CNC(c2ccccn2)c3ccccc3 -MOL_01_006194,CC(C)CNC(=O)CNC(O)c1cc(F)cc(F)c1F -MOL_01_006195,CCc1cc(ccc1F)CNCC(O)c2cc(C)oc2C -MOL_01_006196,c1ccncc1C(F)NC(=O)CNC(O)c2cccc(F)c2 -MOL_01_006197,NCc1cc(cc(c1)C(C)N)Cc2cccc(c2)-c3c(C)ccc(c34)CC4 -MOL_01_006198,O=c1ccn(c(n1)O)CCNCNC(O)c2ccccc2 -MOL_01_006199,c1ccccc1C2=NCN(NC2)Cc3cc(N)cc(c3)Cc4cccc(C)c4 -MOL_01_006200,CNCN1CNC(NC1)NC(O)Nc2ccc(cc2)CCCCC(F)(N)c3ccccc3 -MOL_01_006201,CC/C(NC)=C(C(=O)O1)\C(O)OC1(C)C -MOL_01_006202,Fc1ccnc(c1)CNc2ccc(nc2)NCc3ncnc(F)n3 -MOL_01_006203,c1cccc(c12)c(cc(c2)N)CCCO -MOL_01_006204,OC(F)c1nccnc1C(O)Nc2nc(F)cc(F)n2 -MOL_01_006205,CNc1ccccc1N2CNC(NC2)C(O)NC(O)c3ccc(C(F)F)cc3 -MOL_01_006206,CC(C)(N)CCC(C)NCc1cccc(c12)CCC(C2)N -MOL_01_006207,CC(O)CNc(c1)ccc(c12)CCN2 -MOL_01_006208,OC(F)c1cc(ccc1)NC(O)NCc2ncccc2F -MOL_01_006209,CCc1c(CC)c(F)cc(c12)C(O)c3c(C2O)ccc(c3)C -MOL_01_006210,FN(F)c1cc(cc(c1)N(F)F)C(O)NCCCn2ccnc2 -MOL_01_006211,Cc1ccccc1NC(O)CCc2nc(F)cnc2O -MOL_01_006212,c1cnccc1CNC(=O)NCC(O)Nc2ccc(F)cc2F -MOL_01_006213,CCCN1CNC(OC1)NC(O)(O)c2ccc(cc2)NC(=O)C -MOL_01_006214,c1ccccc1/C=C(\C)/C=C2/NC(=NC2=O)N3CCCCC3 -MOL_01_006215,Cc1c(=O)c1C(N)c2ccccc2 -MOL_01_006216,CCCCCNc1cnc(cn1)C(O)Nc2ccccc2F -MOL_01_006217,NC(N)c1ccc(cc1)CNC(O)C2=C(C)C=C(C2=3)C=CC3 -MOL_01_006218,Fc1ccccc1C(O)NCC(=O)NC2CN(CN2)Cc3ccc(F)cc3 -MOL_01_006219,Oc1nc(F)cc(F)c1CCNCc2ccc(F)cc2 -MOL_01_006220,OC(F)C(O)CC(=O)c(c1F)ccc(c12)ccc3c2cccc3 -MOL_01_006221,FC1(F)NC(F)=NC(=O)N1CCCCNc2cccc(F)c2 -MOL_01_006222,CC(F)(F)Nc1cc(F)c(cc1F)C(O)OC(F)F -MOL_01_006223,O=C(F)CCNC(O)c(cc1C)c(F)c(c12)ccc(c2)Cc3ccccc3 -MOL_01_006224,O=C(F)CCCC(O)Nc1ccc(nc1)Cc2cccc(C(F)(F)F)c2 -MOL_01_006225,NCCCNCCc1ccc(cc1)CC2C(=O)CC(O)=CC2O -MOL_01_006226,O=CCCC1=CC(C(=O)C1CCO)Cc2ccccc2 -MOL_01_006227,O=c1cc(O)c(F)cn1Cc2ccc(cc2)CCCCCC(F)O -MOL_01_006228,Cc1cccc(c1)NC(F)N2CNN(NC2)c3cccc(C)c3F -MOL_01_006229,OCC1=C(O)C(CC1O)Cc2ccc(cc2)COO -MOL_01_006230,c1ccccc1C(CN)C(=O)NNC(F)c2ccc(F)nc2 -MOL_01_006231,Nc(c1)ccc(c12)c3c(c(F)c2)C=NCN3 -MOL_01_006232,Fc1cc(ccn1)NC(O)c2cc(ccn2)Cc3cccnc3 -MOL_01_006233,C1CCCCC1C(C(=O)CC)c2cncc(O)c2 -MOL_01_006234,NNc1ccccc1CN2CNC(NC2)N(O)Cc3ccc(cc3)-c4cccc(N)c4 -MOL_01_006235,Nc1ccccc1-c2ccccc2-c3ccc(CN)cc3 -MOL_01_006236,FC(F)C(=O)N(CC(F)O)c1ccc(F)cc1 -MOL_01_006237,CNCCCC1c(cccc2)c2C(O)C(O)c(c13)cccc3 -MOL_01_006238,c1ccccc1C(NNN)NC(O)c2ccc(cc2)-c3ccccc3 -MOL_01_006239,Cc1ccccc1-c2ccc(cc2)C(=O)Cc3ccc(C(C)(C)N)cc3 -MOL_01_006240,O=C(F)Nc1cccc(c1)C(=O)COc2ccc(F)cc2 -MOL_01_006241,c1ccccc1-c2ccc(cc2NC)NC(O)(O)c3ccccc3 -MOL_01_006242,Fc1c(F)cncc1NC(=O)NNCc2cccc(F)c2 -MOL_01_006243,NC12CNC(N)(NC1)C2Cc3ccccc3 -MOL_01_006244,Fc1ccccc1C(O)N(C(Cl)(C)C)NC(O)c2ccccc2 -MOL_01_006245,Nc1ccccc1CC(=O)CNC(O)NCc2cccc(C)c2 -MOL_01_006246,FC(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)C(O)(O)c2ccncc2 -MOL_01_006247,CCCCC(O)Nc1ccc(cc1)C2=CNC(=O)CN2 -MOL_01_006248,CNc(c1)ccc(c12)C(O)=C(O)CC2 -MOL_01_006249,NCCCNC(NC)c1ccnc(c1)Cc2cccc(c2)C(C)C -MOL_01_006250,Fc1ccc(cc1)NC(O)Nc2cc(C(F)F)ccc2F -MOL_01_006251,Cc1cc(Cl)n(CCl)c(=O)c1CN -MOL_01_006252,N=CCCC(CO)Cc1cccc(c12)cccc2 -MOL_01_006253,CC(O)Cc(c1)ccc(c12)\C=C(N)\c3cccc(c3)CCC2O -MOL_01_006254,CC(O)CCNc1ccccc1C(Cl)O -MOL_01_006255,CNCC1CNCCC1C(=O)Cc2ccc(F)c(F)c2 -MOL_01_006256,NCN(C)CNCc1ccc(CCN)c(c12)cc3c(c2O)cccc3 -MOL_01_006257,CNCCCc1cccc(c12)C(=O)c3c(C2O)cccc3 -MOL_01_006258,CCCNCC(=O)C(C)Cc1ccc(O)nc1O -MOL_01_006259,O=C(F)c1ccc(cc1F)NC(F)NNC(O)c2ccncc2 -MOL_01_006260,CCNC(=O)C1CCN(CC1)CNC(O)Nc2cccc(C)c2 -MOL_01_006261,CCCCC(=O)c1ccc(cc1)NC(O)C(CC)CC -MOL_01_006262,CCNCCN1CCN(CC1)C(F)C(=O)Nc2cccn2C(C)C -MOL_01_006263,c1ccccc1C(N)(N)NCC(F)c2cccc(c2)C3=CCNNC3 -MOL_01_006264,CC(=O)C(C=1)=Cc(c12)cc(\cc2)=C\C(N)c3ccccc3 -MOL_01_006265,c1cccnc1C(NCC(F)O)c2ccncc2 -MOL_01_006266,Oc1nc(F)ccc1C(O)n2ccnc2 -MOL_01_006267,c1ccccc1-c2cc(ccc2)OC(N)(O)c3ccccc3 -MOL_01_006268,FCC(O)CNC(=O)c1ccccc1C(F)O -MOL_01_006269,CCC(O)CN(C1(O)O)C(O)c(c12)cccc2 -MOL_01_006270,NCc1cc(ccc1)C(C)CCCC(F)(O)N2CCC=NC2 -MOL_01_006271,CNc1ccc(c(C(F)F)c1)NC(O)C(F)OCl -MOL_01_006272,C1CCOCC1C(C(=O)NF)Nc2ccc(cc2)NCCCF -MOL_01_006273,Fc1ccc(F)c(c1)N2CCN(CC2)C(F)NC3NCNCN3 -MOL_01_006274,CC(C)(C)C(O)/C(CO)=C/c1ccc(O)cc1 -MOL_01_006275,Cc1ccc(F)c(c1)CNc2cnccc2C(=O)F -MOL_01_006276,NC(O)CC1CCc(c12)cccc2F -MOL_01_006277,CNc1ccc(cc1)C(O)N2CCN(CC2)CCc3cnccn3 -MOL_01_006278,FCC(C(F)F)NCc1nc(ccc1F)CCC2NCCCN2 -MOL_01_006279,c1cccc(c12)cc(cc2CNC)C3N=CN(CN3)C(=O)CNC -MOL_01_006280,CC(=O)N1CCN(CC1)C(F)c(c2)cc(O)c(c23)c(F)ccc3 -MOL_01_006281,C1CC1N2C(=O)COC(C2)C(=O)NCc3cccc(F)c3 -MOL_01_006282,C1CCCCC1NC(O)CNC(O)c(c(F)c2)cc(c23)cccc3 -MOL_01_006283,N1CNc(c12)ccc(c2)CNC(=O)C/N=C/c3ccccn3 -MOL_01_006284,CC(C)CC(C)NC(=O)CNC(O)c1ccccc1 -MOL_01_006285,C12NN(C1)C=C(N2)C(O)Cc3ccccc3 -MOL_01_006286,CCNc1ccc(cc1)CC2C(=O)CN=C2c3ccccc3 -MOL_01_006287,N1C=C1N(C2)Nc(c23)ccc(c3)OO -MOL_01_006288,CC(N)(N)c1cnc(cn1)OCCCC2CCC(CC2)c3cnccn3 -MOL_01_006289,Fc1cc(ccc1)C(O)NCCCc2cccc(F)n2 -MOL_01_006290,c1ccccc1CNCC(O)CCC(=O)c2ccccc2 -MOL_01_006291,CCCc1cc(O)cc(c1)C(C)O -MOL_01_006292,CN(C)C(O)(O)N1CCN(CC1)Cc2ccnc(n2)N3CCCC3 -MOL_01_006293,CNCCCNCC(Cl)NN1NCN(C1O)Cc2ccccc2N -MOL_01_006294,O=C(O)n1cnc(nc1=O)-c2ccc(C(F)(F)O)cc2 -MOL_01_006295,c1ccncc1CC(NCN)CC23CC4CC(C2)CC(C4)C3 -MOL_01_006296,CNc1cc(nc(n1)NC)NC(O)CCCCCF -MOL_01_006297,CN(C12)C(OC1)CN(CC2)c3cncnc3 -MOL_01_006298,C=C=NC(O)c1cc(ccc1)NC(=O)c2ccccc2 -MOL_01_006299,OC(O)c1ccc(cc1)CCC(C(O)C2)c(c23)cc(C)cc3 -MOL_01_006300,c1ccccc1C(c2ccccc2)C(N)NC3NNN(N3)Nc4ccccc4 -MOL_01_006301,OC(C1)Cc(c12)cc(F)c(c2)C3NCCCN3 -MOL_01_006302,OCc(c(O)c1)cc(c12)ccc(c2)N3CCCNC3 -MOL_01_006303,O=C(F)c1ccccc1C(O)NCCCCn2ccnc2 -MOL_01_006304,FC(F)(F)CNC(O)c1ccc(cc1)NC(O)N(C2)Cc(c23)cccc3 -MOL_01_006305,C1CCCCN1c2nc(N(C)C)nc(n2)CCCNC(O)Nc3ccccc3 -MOL_01_006306,Fc1ccc(cc1)C2NCC(O)N(N2)CN3CCNC3 -MOL_01_006307,OCc1cccc(c1)-c(c2)ccc(c23)c(F)ccc3NC(F)O -MOL_01_006308,c1ccccc1C(C)C(=O)Cc2ccccc2C3C=NC=N3 -MOL_01_006309,O=C(F)C(O)Oc1cc(O)nc(n1)-c2ccccc2 -MOL_01_006310,Cc1cc(C)cc(c1)NC(O)Cc(c2O)ccc(c23)cccc3 -MOL_01_006311,CCc1ccc(cc1NC)NCNC(=O)NCc2ccc(N)cn2 -MOL_01_006312,Fc1ccccc1C(=O)NNC(F)CNCc2ccccc2CF -MOL_01_006313,Cc1cc(O)cc(c12)cc(cc2)OC(F)CCNc3ncccn3 -MOL_01_006314,c1ccncc1C(O)Nc2ccn(c2)Cc3ccnc(F)c3 -MOL_01_006315,Oc1ccc(C(F)O)c(O)c1 -MOL_01_006316,O=C(F)CCCCCc1cccc(c1)NC(O)NCCF -MOL_01_006317,CC(O)C1CCC(CC1)C(=O)CCc2ccccc2C(O)Nc3ccccc3 -MOL_01_006318,C1CCCC1C(=O)NCC(=O)CCc2ccccc2F -MOL_01_006319,Nc1ccc(cc1)C(F)Nc2cccc(c2)C(O)NNCc3ccccn3 -MOL_01_006320,NCC1CCC(C1)Nc2ccc(N)cc2O -MOL_01_006321,Fc1ccc(cc1F)OC(O)C(CF)C(N2)Nc(c23)cccc3 -MOL_01_006322,OC1(O)CCc(c12)cccc2Cc3ccc(F)c(F)c3 -MOL_01_006323,CC(C)n1c(F)nnc1-c2ccncc2 -MOL_01_006324,CN(C)c1ccc(CF)c(c1)NC(O)C(=O)CCF -MOL_01_006325,O=C1NC(O)NC(=O)C1Cc2ccc(F)cc2 -MOL_01_006326,CC(O)Cc1cccc(c12)c(O)c3c(c2)c(C)c(cc3)CCNO -MOL_01_006327,Oc1cncc(c1)C(CC23)CC(C2)CNC3 -MOL_01_006328,CC(=O)C(C)CC(O)Cc1ccc(CO)cc1C -MOL_01_006329,CCCC(=O)NC(O)Nc1cccc(F)c1N2CCCC2 -MOL_01_006330,Fc1ccc(F)cc1NC(O)CNCCc2ccc(F)cc2 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-MOL_01_006350,FC1(Cl)CC(O)C(=C(F)C1)CNCCN2CCNCC2 -MOL_01_006351,C1COCCC1NC(=O)C(F)(C(F)(F)F)Cc2cncnc2 -MOL_01_006352,O=C(F)Cc1ccc(cn1)NCC2CCCNC2 -MOL_01_006353,FCCNC(O)C1(C)CN(CCN1)Cc2ccc(cc2)Nc3ccccc3 -MOL_01_006354,c1ccccc1NNC/N=C/CC2CNCN2Cc3cc(C)cc(N)c3 -MOL_01_006355,OCCCCc1cc(O)c(O)nc1O -MOL_01_006356,FNC(=O)CCC1CCN(C1O)Cc2cccc(F)c2 -MOL_01_006357,FCCNCCn1cnc(n1)-c2ccc(cc2)-c3ccccc3 -MOL_01_006358,CNc1cc(NC)cc(c1)C(O)Cc2ccccc2CC(O)NCF -MOL_01_006359,CC(N)c(c(N)c1)cc(c12)NCN2 -MOL_01_006360,Cc1cccc(F)c1NCCCCNC2CNCCC2N -MOL_01_006361,Oc1ccnc(c1F)NCC(O)NCc2ccccc2 -MOL_01_006362,c1ccccc1C(O)CNc2ccc(cc2)C3CNCNCN3 -MOL_01_006363,OC(F)CCCC(O)NCc1ccc(Cl)cc1 -MOL_01_006364,OCC(=O)NCCCCC(C(=O)F)NC(O)NCc1ccccc1 -MOL_01_006365,CNC(=O)c1ccccc1C#CCC(O)NC2CCCCC2 -MOL_01_006366,n1cccnc1NCNCC(=O)Nc2ccc(cc2)Cn3ccnc3 -MOL_01_006367,OCCc1ccc(cc1)CC(N)c2ccccc2Nc3ccccc3 -MOL_01_006368,CCCCC(CCCC)C(O)Nc1cccc(c1)C(=O)C -MOL_01_006369,CCCc1ccccc1NC(O)Nc2cnccn2 -MOL_01_006370,NCC(F)Cc1cccc(c1)NC(F)NC2CNC(NC2)Cc3ccccc3 -MOL_01_006371,Cn1ccnc1CN(C)C2CCN(CN2)CCc3ccccn3 -MOL_01_006372,CN1CCCC1CNc2cc(N(Cl)O)ccn2 -MOL_01_006373,c1nccnc1C(O)NCc2cccnc2OC(F)F -MOL_01_006374,Cc1c(O)cc(O)c(F)c1-c2ccccc2 -MOL_01_006375,OC1N(C)C(O)c(c12)ccc(c2)CC(=O)CCc3ccccc3 -MOL_01_006376,Cc1ccc(cc1)/C=C/C(=O)NCC(=O)c(c2)ccc(c23)CCCC3 -MOL_01_006377,N1COC1c2cccc(c2)C(=O)Nc3ccccc3 -MOL_01_006378,FC(F)c1cc(ccc1)/C=C/C(=O)Nc2ccccc2N3CCNCC3 -MOL_01_006379,OCc1ccccc1C(O)CC(=O)c2ccc(F)cc2F -MOL_01_006380,OCc1ccc(cc1)CN(C2O)C(O)c3cccc(c3c24)c(N(F)F)cc4 -MOL_01_006381,CNC(O)c1ncn(c1F)Cc2ccccc2 -MOL_01_006382,CNc1cc(CNC(F)F)ccc1NCC(O)Nc2cccc(c23)cccc3 -MOL_01_006383,NCCCc1ccc(cc1)Cn2cc(O)c(O)nc2=O -MOL_01_006384,Cc1ccc(cc1C)NCC(O)CCC(O)N(CCCF)c2ccccc2 -MOL_01_006385,CCC(=O)c1ccc(cc1)CCc2cccc(c2)NC(O)NCCCl -MOL_01_006386,c1ccccc1CC2=CC=CC\2=C/NC(O)c(c3)ccc(c34)CNC4 -MOL_01_006387,CC(C)C(O)Cc1c(C(C)O)c(C)cc(c1)-c2ccccc2 -MOL_01_006388,C1CCCC1C(O)Nc2ccc(F)c(F)n2 -MOL_01_006389,Fc1cc(ccc1)NCC(O)NCCc2c(F)cncc2F -MOL_01_006390,Cc1c(O)c(F)c(CN)c(F)c1CN -MOL_01_006391,CC(=O)Cc1ccccc1C(O)Nc2ccc(cc2)NC(=O)C -MOL_01_006392,c1cccnc1NC(O)C(F)Cc2ccccc2 -MOL_01_006393,c1cccnc1CN(NCF)Cc(nc2)cc(c23)nccc3 -MOL_01_006394,OCc1ccc(cc1)NCC(O)CCc2ccccc2 -MOL_01_006395,CC1CC(=O)N(C1)c2ccc(C(F)(O)O)cc2 -MOL_01_006396,Nc1ccc(cc1)-c2cc(C(N)O)cc(c23)cccc3 -MOL_01_006397,Fc1ncc(cc1)C(=O)CNC(O)c2ccc(F)cc2 -MOL_01_006398,N1CCNC1C(C(=O)CC)c(c2)ccc(c23)cccc3 -MOL_01_006399,c1ccccc1C2C=C(O)C=C(C2)c3ccc(C(C)O)cc3 -MOL_01_006400,FCC(O)CNc1ccc(F)cn1 -MOL_01_006401,CC(=O)CCNCc(c1)cc(O)c(c12)cccc2 -MOL_01_006402,NCc1ccc(cc1)C(O)C(O)Cc2ccccc2O -MOL_01_006403,c1cccc(c12)C=CC\2=C(/O)CCc3ccccc3CN -MOL_01_006404,Fc1ccc(C(F)F)cc1C(O)Nc2ccnc(F)c2 -MOL_01_006405,Fc1ccc(cc1F)C(O)Cn2cnc(c2)N(F)O -MOL_01_006406,CCNc1c(NC)cc(cc1NC)Cc2cnc(F)nc2F -MOL_01_006407,FN(F)c1ccc(cc1)C(O)NC(O)N2CCN(CC2)c3ccccc3 -MOL_01_006408,Fc1ccc(cc1)NC(=O)NNCc(n2)ccc(c23)cccc3 -MOL_01_006409,C1CCCC12CC(O)N(C(F)C2)CCCCN3CCN(CC3)c4ncccn4 -MOL_01_006410,OC(F)c1ccc(c(c1)OC(F)F)NCc2ccccc2 -MOL_01_006411,O=Cc(c1)c(CN)cc(c12)CC=N2 -MOL_01_006412,O=C1CCC(O)N1CCCCCc(c2)ccc(c23)CCC3 -MOL_01_006413,O=C(F)NNCc1ncccc1CCc2ccccc2 -MOL_01_006414,OCc1cc(NF)nc(COF)c1CF -MOL_01_006415,FC(F)NC(O)C1CCCN(C1)c2nc(F)cc(F)n2 -MOL_01_006416,CCc(c1)cc(F)c(c12)C(O)c3c(C2O)c(F)ccc3 -MOL_01_006417,NNc(c1)cc(NF)c(c12)c(cc(F)c2)-c3cccc(c3)-c4cccc(N)c4 -MOL_01_006418,CC(O)CCCC(O)CCc1cccc(Cl)c1 -MOL_01_006419,Fc1cc(C(F)(F)F)cnc1CC(O)NCCc2ccccc2 -MOL_01_006420,FC(F)(F)c1ccc(cc1)C(O)Nc2ccc(cc2)C(O)N3CCCNC3 -MOL_01_006421,OCC(O)C(O)NC(=O)c1ccccc1Cc2ccccc2 -MOL_01_006422,O1CNc(c12)ccc(c2)C(O)C(O)(O)c3ccccc3 -MOL_01_006423,OC(F)c1ccc(cc1)NCc(c2)ccc(c23)NCN3 -MOL_01_006424,Cc1cccc(n1)OC(O)C(C)c2ccc(cc2)CC(C)C -MOL_01_006425,CC(=O)c1cnc(O)c(c1)CCc2cccc(n2)CO -MOL_01_006426,CNC(O)c1ccccc1NC/C=C(\F)CC/C=C(\C)CNCC(F)F -MOL_01_006427,Fc1ccc(cc1)NC(O)NCCc2c(F)ccc(c2F)CCF -MOL_01_006428,O=C1NC(O)CC1Cc2ccc(cc2)CCc3ccccc3 -MOL_01_006429,C1NCNCN1C(c2ccc(F)cc2)CNc3ncncn3 -MOL_01_006430,Fc1ccc(cc1F)C(O)Nc2ccccn2 -MOL_01_006431,FC1(F)CC=C(CC1)C(=O)CNC(=O)Cc(c2)ccc(c23)cccc3 -MOL_01_006432,CC(C)c1cnc(C(C)N)n1C -MOL_01_006433,FNC(F)C(=O)CCC(=O)c1ccc(cc1)-c2ccccc2 -MOL_01_006434,Fc(c1)ccc(c12)c(cc(c2)C(=O)O)CCCO -MOL_01_006435,OC(F)C1CCN(CC1)CC(O)Nc2cccc(c2F)N(F)O -MOL_01_006436,Fc1cccc(F)c1C(O)N(CC(=O)F)Cc2ccc(cc2)Nc3ccccc3 -MOL_01_006437,CC(O)c1cnc(F)c(c1)C(=O)Cc2cccnc2F -MOL_01_006438,OC(F)CCCC(O)Cc1ccc(F)c(F)c1 -MOL_01_006439,Nc1c(F)cc(F)cc1C(O)NCCCc2ccccc2 -MOL_01_006440,CC(F)(C)NC(=O)Nc1ccccc1CCc2ccc(F)cc2 -MOL_01_006441,Cc1ccccc1C(O)Nc2ccn(c2)CCN3CCCCC3 -MOL_01_006442,Oc1cccc(Cl)c1C(O)CCCl -MOL_01_006443,c1ccccc1C(=O)NC(C(F)F)C(O)NCc2ccccc2 -MOL_01_006444,OCNc1cccc(c1F)CNn2cnnc2 -MOL_01_006445,Fc1cc(ccn1)NC(=O)Nc2ccccc2C(F)O -MOL_01_006446,CN(C)c1nc(cc(n1)N(F)F)NONc2ccc(F)cc2 -MOL_01_006447,Oc1cc(ccc1)C(=O)C2=C(N2)c3ccccc3 -MOL_01_006448,Fc1ncc(cc1F)C(O)NCC2CCCC2 -MOL_01_006449,CC(C)C#CCN/C(C)=C1/C(=O)C(CCO)C(=O)CC1O -MOL_01_006450,CNC1(F)CCN(CC1F)C(=O)CNNCc2ccc(F)cc2 -MOL_01_006451,OC(O)c1ccc(CF)c(c1)CC2CCCCC2 -MOL_01_006452,C1OCCOC1C(=O)C(C)CC(=O)Nc2cccc(F)c2 -MOL_01_006453,c1cnccc1C(O)NCNCN2CCN(CC2)c3ccccc3 -MOL_01_006454,C1CC(=O)NC12CCCC(CC2)C(=O)c3cnccn3 -MOL_01_006455,OCc1cccc(c1)NC2CC(O)CC2=O -MOL_01_006456,C/C=N/C(O)Nc1c(C(N)N)cccc1N(C)C -MOL_01_006457,c1ncncc1CNC(=O)NC(O)CCC(O)c2ccccc2F -MOL_01_006458,c1cccc(c12)cccc2C(O)CNC(O)c3ccc(F)cc3F -MOL_01_006459,C1CNCN1C(O)Nc2cc(F)c(F)cn2 -MOL_01_006460,CC#CC#CCC#CCCCC(O)C1=CN=C(C1=2)N=NC2 -MOL_01_006461,Fc1ccc(cc1F)CNN(CCF)CNc2ccncn2 -MOL_01_006462,c1cccc(c12)CN(C)C(N3NCNCC3)NC2c4ccccc4 -MOL_01_006463,CCCCc1ccc(CCC(=O)N)cc1NN -MOL_01_006464,C1CCCN1C(=O)C(O)Nc2ccc(Cl)c(F)c2 -MOL_01_006465,CNc1ccc(cc1)CC(O)Nc2ccccc2N3CCNC3 -MOL_01_006466,CN(C)c1nccc(n1)C2CCCC(C2)C(=O)CF -MOL_01_006467,C/N=C/NC/C=C1/C(C(N)N)=Cc(c12)cccc2 -MOL_01_006468,CN1CCCN(CC1)C(O)(O)c(c2)ccc(c23)cccc3 -MOL_01_006469,c1ccccc1CNC(=O)CC(CN2)=C(C23)CCC3 -MOL_01_006470,CC(=O)Cc(c1)ccc(c12)C(F)c3c(C2F)cc(cc3)C(=O)N -MOL_01_006471,FC(F)C(O)CC(=O)c1ccc(cc1)Nc2ccccc2 -MOL_01_006472,O=c1cc(O)n(cc1C)C2CCC(CF)C2 -MOL_01_006473,FCCC(O)Nc1cccc(c1)NC(O)c2cccc(F)c2F -MOL_01_006474,NCc1cccc(c1)NC(O)N(C2)CC23CCN(C(F)O)CC3 -MOL_01_006475,C1CCCC1NC(O)c2ccc(nc2)CCc3cccnc3 -MOL_01_006476,NCc(c1)ccc(c12)ccc(C(O)CNC)c2CNCc3ccccc3 -MOL_01_006477,OC(F)CC(=O)c1c(cccc2)c2c(O)c(c13)c(F)ccc3 -MOL_01_006478,C=C(O)CCCc1cc(N)ccc1C -MOL_01_006479,CC(C)C#CCC(O)c1cccc(c12)c(O)c3c(c2)cccc3 -MOL_01_006480,c1cccc(c12)cc(F)c(c2)C(O)CC3=NCCNC3 -MOL_01_006481,CNc1cccc(c1)NCc2cccc(c2)C(=O)CN(C)COC -MOL_01_006482,CCC(O)(O)CCc1cc(F)cc(c12)CCC2 -MOL_01_006483,C1CCCCC1(N)C2=NCC(CC2)C(=O)c3ccccc3 -MOL_01_006484,CCc1ccc(cc1)CCC(O)Nc2ccc(c(F)c2)CCC(F)O -MOL_01_006485,Cc1ccc(cc1)CC(O)CCC(O)C/C=N/c2ccccc2 -MOL_01_006486,FC(F)N1CCN(CC1)C(O)c2ccc(cn2)CN(CF)CF -MOL_01_006487,Cc1cc(cc(c1)C)C(C(F)F)NC(F)N2CNC(NC2)c3ccccc3CN -MOL_01_006488,C1CCc(c12)ccc(c2)NC(O)NC(F)c3ccccc3 -MOL_01_006489,Oc1c(C)cccc1NCc2ccc(N=C)cc2 -MOL_01_006490,OCc1cccc(c1)C(O)c(c2)ccc(c23)CC(O)=NC3O -MOL_01_006491,Fc1ccc(cc1)CC(O)Nc2ccc(cc2)C3NCCN3 -MOL_01_006492,c1ccnc(c12)nc3c(c2)nccn3 -MOL_01_006493,FCc1ccc(C)c(c1)NC(O)NC(O)c2ccccc2 -MOL_01_006494,NNc1ccc(cc1)C2C=CC(=NC2)CNC3CNC(NC3)Cc4ccccc4 -MOL_01_006495,Cc1cccc(c1)NCC(O)NCC(C)c2ccccc2 -MOL_01_006496,COCc1cc(ccc1F)C(O)CC2(CO)CCNC2 -MOL_01_006497,CC(C1)Cc(c12)cc(CN)c(c2)CNCc3ccccc3NN -MOL_01_006498,Nc(c1)ccc(c12)CC(=O)CC(=O)C2 -MOL_01_006499,FCN/C=C(\C(=O)C)CNc1ccccc1C -MOL_01_006500,FCc(cc1)cc(c12)ccc(c2O)/C=C/C(O)NCc3ccc(F)cc3 -MOL_01_006501,ClCCc1ccc(cc1)C(=O)CNC(F)c2ccccn2 -MOL_01_006502,CC(C)Oc1cccc(c1)Cc2ccc(O)nc2Cl -MOL_01_006503,CNc1ccc(cn1)CCc2cccnc2CCCO -MOL_01_006504,OCN(C(Cl)O)CC1CCN(CC1)Cc2ccccc2 -MOL_01_006505,Cc1cccc(c1C)C(N)Cc2ccc(cc2)CC3CC(=N)C=C3N -MOL_01_006506,O=Cc1ccc(C)c(c1)CC(=O)CC(=O)C(C)(C)C -MOL_01_006507,CCc1cccc(c1)CN(C(O)C2)C(O)C2(C)C -MOL_01_006508,c1ccccc1N2NC2c3cccc(c3)NC4CN4 -MOL_01_006509,CC(C)(C)NC(=O)NC(C(O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 -MOL_01_006510,CC(C)(C)C(O)c1ccc(cc1)C(O)NCC2CCCCC2 -MOL_01_006511,Fc1ccc(cc1)N(C2O)C(O)c(c23)cccc3 -MOL_01_006512,O=C1CCCC(O)C1CNc2ccc(N(F)O)cc2F -MOL_01_006513,FC(F)c1cc(cc(C(F)(F)F)c1)C(O)NCCCCC(O)Nc2ccc(F)cc2 -MOL_01_006514,OC(F)(O)CCCC(C)c1ccc(O)cc1F -MOL_01_006515,OCc1cc(cc(F)c1F)/C=C(\C)C(C)O -MOL_01_006516,CCNC(O)N1CCN(CC1)C(=O)C(=O)CNC(O)CNc2ccc(F)cc2 -MOL_01_006517,CNc1cc(CN)cc(NC)c1CCc2cccc(c23)cccc3 -MOL_01_006518,CCCC(O)C(O)Nc1ccccc1C(F)(F)F -MOL_01_006519,CCC(Cl)c1cccc(c1)NCC(N)CCN -MOL_01_006520,C=CC(N)N1CNN(C1)c2ccccc2Nc3ccc(cc3)Nc4ccccc4 -MOL_01_006521,c1ccccc1C(O)(O)NNC(O)CCc2ccc(F)cc2F -MOL_01_006522,Fc1cc(ccc1)NC(O)c2ccnc(c2)C(O)Nc3cccc(F)c3 -MOL_01_006523,FCCNCNc1cnc(F)n1CCCc2ccccc2 -MOL_01_006524,Fc1ccc(cc1)NC(O)N(C)c2cccc(c2)C(O)c3ccccc3 -MOL_01_006525,c1cnccc1C(O)CNC(F)Nc2cccc(C(F)(F)F)c2 -MOL_01_006526,Fc1ccc(cc1)CN(C)CC(O)NCC(=O)c2ccc(F)cc2 -MOL_01_006527,CC(O)c1ccccc1CCC(=O)CCC(=O)NCC(F)(F)F -MOL_01_006528,c1cnccc1C(O)C(N(C)C)Cc2ccncn2 -MOL_01_006529,c1cccc(c12)c(cc(c2)N)Nc3ccc(cc3)COC(N)NNc4ccccc4 -MOL_01_006530,NCc1ccccc1CC(N)CCc(c2)ccc(c23)cccc3 -MOL_01_006531,CC(F)(F)c1ccc(cc1)CN(C)C(=O)N2CCN(CC2)C(=O)Nc3ccccc3 -MOL_01_006532,CCc(c1O)c(O)c(CC)c(c12)ccc(c2)C(=O)F -MOL_01_006533,Nc1ccc(cc1)C(=O)NC(F)c2ccc(F)cc2 -MOL_01_006534,OC1=CC(=O)C(=C1N)c2ccccc2 -MOL_01_006535,C1C#CCCC12CNC3(CCCOC3)NCC4(CN2)CCCCC4 -MOL_01_006536,OC1=NC(O)c(c12)ccc(c2)C(O)NCCCc3ccccc3 -MOL_01_006537,FCCCC(=O)Cc1cccc(c1)NC(O)CCF -MOL_01_006538,Fc1cc(ccc1)CCC(=O)CCC(O)NC2CCCC2 -MOL_01_006539,C=1C=CC(C12)=NC(CN2)NC(O)C/C=N/c3ccc(NC)cc3 -MOL_01_006540,c1cccc(c12)CCC2C(O)NC3NCNCN3 -MOL_01_006541,OC(F)NC(O)Nc1cc(C(F)(F)F)cnc1F -MOL_01_006542,CN(C)/C=C(\C(Cl)(O)O)C(O)c1ccccc1F -MOL_01_006543,FC(F)(F)C(=O)Nc1cccc(c1)NC(F)Nc2cccc(c2)C(F)O -MOL_01_006544,C1CCNCC1C(=O)Cc2cnccc2F -MOL_01_006545,Fc1ccc(c(F)n1)NCCCCNC(F)c2ccccn2 -MOL_01_006546,c1cncn1Cc2c(F)c(cc(c2)C(F)(F)NC(F)(F)F)Cn3ccnc3 -MOL_01_006547,CC(Cl)c1cnc(Cl)n1CCC(C)(O)O -MOL_01_006548,Oc1ccc(cc1)NCC(=O)c2ccccc2CC -MOL_01_006549,Cn1cccc1CNC(O)Nc2ccc(F)cn2 -MOL_01_006550,Fc1cc(ccc1)CC(O)N2CCC(O)N(CC2)CC3CC3 -MOL_01_006551,OC(F)c1ccc(c(F)c1)NCNCCCCc2cccc(N(F)F)c2 -MOL_01_006552,FNC(O)CCc1ccc(cc1)NC(F)(F)c(c2)ccc(c23)cccc3 -MOL_01_006553,CCc1ccccc1CC2CCN(CC2)C(O)CCN3CCNC3O -MOL_01_006554,Fc1ccccc1C(O)NC(O)C(Cc2ccccc2)Cc3ccccc3 -MOL_01_006555,OC(O)/C(F)=C/c1cccc(F)c1F -MOL_01_006556,C1CCCCN1C(O)c2ccc(cc2)NC(O)(O)/C=C/c3ccccc3 -MOL_01_006557,O=C1OCC=CC1C(O)CCc2ccccn2 -MOL_01_006558,c1ccccc1C(O)(O)C(CN)CNc2ccccn2 -MOL_01_006559,c1cccc(c12)c(O)ccc2CC(C)O -MOL_01_006560,CC(C)C(CN)CC(N)CCc1cccc(c12)cccc2 -MOL_01_006561,CC(O)c1ccc(cc1)NCC(O)c(c2O)ccc(c23)cccc3 -MOL_01_006562,c1cccc(c12)NCC(N2)C(O)NCc3ccncc3 -MOL_01_006563,Cc1cc(C)c(C)c(c1C)C(O)(O)N2CCCCC2 -MOL_01_006564,OC(F)c1ccc(cc1)-c(c2)ccc(c23)c(CN)c(cc3)C(N)O -MOL_01_006565,NC1(N)CC(=O)C(C(O)C1)CCc2ccc(cc2)-c3ccccc3 -MOL_01_006566,COc1ccccc1NC(O)(O)c2cccc(c2)C(O)NF -MOL_01_006567,NCc1c(N)cccc1C2CCCC2 -MOL_01_006568,FCC(=O)NC(O)Nc1cccc(c1)CC(O)CCOF -MOL_01_006569,CNc1ccc(cc1)-c2nc(NF)nc(n2)NCNc3ccc(F)cc3 -MOL_01_006570,c1ccncc1C(NNCF)(c2ccccc2)c3ccnnc3 -MOL_01_006571,FCCNC(O)NCn1c(cccc2)c2c(c13)cccc3 -MOL_01_006572,NCc1ccc(cc1)CC(O)(O)c2ccc(cc2)NCC(N)c3cc(N)ccc3 -MOL_01_006573,c1ccccc1N(CC)c2cccc(c2)NC(O)c3cccc(c3)CO -MOL_01_006574,CC(C)(O)c1ccn(c1)CC(O)c2ccccc2 -MOL_01_006575,Cc1cc(N)cc(c1)C2=CC(C)=CC2=N -MOL_01_006576,CC(O)c1cnc(n1C)NCC(O)NC2CCCC2 -MOL_01_006577,C1CNCNC1(CCF)NC(O)Nc2ccc(F)cn2 -MOL_01_006578,c1ccccc1C(NF)C(O)Nc2cnc(F)nc2F -MOL_01_006579,NNc1cc(ccc1F)N(CF)c2cccc(F)c2F -MOL_01_006580,FCNc1cnc(cn1)C(O)NCc2ccccc2F -MOL_01_006581,CC(=O)CC(CC=O)C(O)CCc1ccccc1 -MOL_01_006582,NC(O)c1ccc(cc1)NCCCCc2ccccc2 -MOL_01_006583,CCCC1=C(C(=O)N=N1)C2C(=O)CCC2=O -MOL_01_006584,CC1=CCCC(C1)c2cccc(c23)c(CN)c(cc3)CN -MOL_01_006585,FC(F)(F)C(=O)NNC1CCC(CN1)c2ccccc2 -MOL_01_006586,CC(=O)c1ccc(cc1)NC(=O)NC(O)CCc2ccc(F)cc2 -MOL_01_006587,Cc1nc(F)n(n1)CC(F)NCc2ccc(cc2)C(O)c3ccccc3 -MOL_01_006588,CCc1cccc(c1)C(O)CCC(O)C(=O)C2CCCCC2 -MOL_01_006589,CC(C)OC(=O)OC1CCC(CN1)c2ccccc2 -MOL_01_006590,c1cnccc1C(O)NCCc(c2)cc(CF)c(c23)CCC3 -MOL_01_006591,CC(O)C1NCN(CN1)c2cccc(c23)cc(C)cc3 -MOL_01_006592,NCc1ccc(cc1)Nc2nc(F)nc(n2)Cc3cccc(c34)cccc4 -MOL_01_006593,c1cccc(c12)C(O)N(C2O)CCCCCCCNCc3cccc(F)c3 -MOL_01_006594,NNc1cccc(c1)-c(c2)cc(c(c23)cccc3)NCNCC4NCNCN4 -MOL_01_006595,OC(F)/C(F)=C/c1n(C)c(nc1)N(Cl)O -MOL_01_006596,NCNCc1ccc(cc1)CC(N)Nc2cccc(c23)cccc3 -MOL_01_006597,Fc1ccc(cc1)OC(CF)C(O)NCc2ccc(F)c(F)c2 -MOL_01_006598,OC1CCC(O)N1CCCNc(c2)ccc(c23)CCC3 -MOL_01_006599,C1CNCNN1C(CN)c2ccc(F)cc2 -MOL_01_006600,Cc1ccc(cc1)N2C(O)CCCC2O -MOL_01_006601,OC1=NC(F)NC1Nc2ccc(cc2)CNC3CNC(F)NC3 -MOL_01_006602,O=C(F)CNc1cnc(F)n1CCc2ccccc2 -MOL_01_006603,Nc1cc(cc(c1)N)C(C)Cc2cccc(c23)cccc3 -MOL_01_006604,Cc1ccc(cc1)C(O)(O)N2CCNC2NCc3c(F)cccc3F -MOL_01_006605,Fc1cccc(F)c1CC(O)NC(O)Nc2ccc(F)cc2 -MOL_01_006606,Cc1ccncc1C(CC)CC(=O)C2CCNC2 -MOL_01_006607,c1ccccc1-c2nc(O)nc(n2)-c3ccccn3 -MOL_01_006608,OC(F)C1(CC1)CC(O)c2ccc(F)c(F)c2 -MOL_01_006609,Oc1cc(=O)n(cc1C)CCCCNCc2ccccc2 -MOL_01_006610,NC(N)(N)c1cnc(cc1)Cc2cc(C)cc(c2)CN3CCCC3 -MOL_01_006611,O=C(F)c1ccccc1NC(O)(O)c2ccccc2 -MOL_01_006612,FCC1CNCN1C(=O)CN(F)C2CCN(CC2)CC(F)NCCCF -MOL_01_006613,CC(C)C(O)NCCNCC(F)CCc1ccccc1N(F)F -MOL_01_006614,c1cccc(c12)cc(c(C)c2O)C3CNCNC3 -MOL_01_006615,N=C(N)NCCc1cc(F)ccc1O -MOL_01_006616,CCCc1cc(F)nc(n1)NCC(=O)CCc2ccccc2 -MOL_01_006617,NCc1cc(ccc1F)CCC(O)(O)CCc2ccccc2 -MOL_01_006618,FCc1ccc(cc1)C(O)NC(=O)Nc2cccc(c2)NC(O)CCC -MOL_01_006619,FC(F)c1ccc(cc1C)CC(O)/C(CO)=C(\C)C2CC2 -MOL_01_006620,NCc1ccc(cc1)C2NC(NC2)c3ccccc3 -MOL_01_006621,c1ccccc1CC(O)c(c2)ccc(c23)NCC=N3 -MOL_01_006622,ClCN1C(=O)C(NC1=O)COc2ccccc2 -MOL_01_006623,CNC(O)c1ccc(cc1)CC(CC2)CCC23NCCCNCN3 -MOL_01_006624,C1CCCCN1C(O)C(C)OC(=O)c2cccnc2 -MOL_01_006625,OC(F)c1cccc(C(F)F)c1NNc2nc(F)cc(F)n2 -MOL_01_006626,OCNCCc1ccc(cc1)CC(O)C2C=NCNCC2 -MOL_01_006627,C1CCCC1CCC(O)CCC(O)Cc2c(F)cccc2F -MOL_01_006628,O=C(F)C1CNC(N1)c2ccc(F)cn2 -MOL_01_006629,Fc1ccccc1CN(C)CCCCN(C2O)C(O)c(c23)cccc3 -MOL_01_006630,NC(=O)c1ccc(cc1)-c2cccc(c2)-c3ccc(C(F)O)cc3 -MOL_01_006631,NCc1cccc(c1)C(F)CCC2CCC=C2O -MOL_01_006632,c1ccccc1CCCC(=O)C2CCNCN2 -MOL_01_006633,O=C(F)CCNC(=O)C(CF)Cc1ccccc1 -MOL_01_006634,Nc1ccc(cc1)/C(=C/C)C(NC)c2ccc(N)cc2 -MOL_01_006635,OCC(C)(C)CC(CN)C(=O)C(O)Nc1ccc(C(=O)F)cc1 -MOL_01_006636,CC(O)Cc1ccc(cc1)NC(O)CN(C)CCCF -MOL_01_006637,Cn1nc(F)c(c1F)CNC(=O)CNc2ccccc2F -MOL_01_006638,n1c(F)n(F)c(c12)CCCC2N -MOL_01_006639,c1ccc(c12)c(=O)cc3c2c4c3cc(N)cc4 -MOL_01_006640,FC(F)(F)c1cc(ccc1)C(O)(O)N2CCN(CC2)C(F)NC3CC3 -MOL_01_006641,C1CCCNC1(C)C(=O)CC(C(=O)CN)Cc2ncc(F)c(F)n2 -MOL_01_006642,OC(O)c1cccc(c12)c3c(cc2)nccc3 -MOL_01_006643,O=C(F)C(C(F)F)NC(O)Nc1cccc(C(F)(F)F)c1 -MOL_01_006644,CCC(O)Cc1ccc(cc1)OC(F)NCCC(C)C -MOL_01_006645,CC1(C)C=C(O)/C(C(O)C1)=C/c2cccc(c23)cccc3 -MOL_01_006646,CCC1CCC(=NC1)CN(C)Cc2ccc(C(=O)N)cc2 -MOL_01_006647,NCc1c(C)cc(cc1C)CCCc2ccnc(c2)C3CCNCC3 -MOL_01_006648,CCNC(CC(=O)C)C(=O)CCc1ccccc1 -MOL_01_006649,CC(N)(O)C(=O)Cc1nc(-c2ccccc2)nc(n1)-c3ccccc3 -MOL_01_006650,N1CCNC1Nc2cc(F)c(cc2)C(F)Nc3ccc(cc3)NC4NCCN4 -MOL_01_006651,c1ccccc1CNCCNC(=O)N2C(O)NC2NCc3ccccn3 -MOL_01_006652,OCc1ccccc1NC(O)C(F)(C)C(F)(F)F -MOL_01_006653,O=CNCC1=CC=C(C1=2)/C(C=CC2)=N/CCN(C)C -MOL_01_006654,Cc1cc(F)c(C(C)O)cc1O -MOL_01_006655,FCN1CCN(CC1)C(=O)CCNNC(F)c(c(F)c2)cc(c23)cccc3 -MOL_01_006656,NCc1cc(F)cc(c1)C(=O)Cc2nccc(n2)CN -MOL_01_006657,Nc1ncc(c(F)n1)C(=O)Nc2ccccc2 -MOL_01_006658,c1ccccc1CNC(=O)CCCC(O)c2ccccc2 -MOL_01_006659,c1cccnc1CNC(NC)c2ccccc2Oc3ccc(F)cc3 -MOL_01_006660,C1CCC(C(C)(O)O)CC12CCN(C2)Cc3ccccc3CN -MOL_01_006661,NC(N)CCCc1ccc(N)c(C)c1 -MOL_01_006662,OC(F)(O)NC(=O)N(C)C(CCCCF)C(F)NCO -MOL_01_006663,Cc1ccccc1CNCC=C=Cn2c(O)cc(O)nc2=O -MOL_01_006664,FCc1ccc(cc1CF)CC(=O)NCC(F)NNc2ccc(F)cc2 -MOL_01_006665,c1ccccc1CC2=C(O)C(O)=C2CCc3ccccc3 -MOL_01_006666,c1cccc(c12)CNC(C2)NC3NCCN3 -MOL_01_006667,Fc1ccc(cc1)C(O)NCCC(F)n2ccnc2 -MOL_01_006668,OC1CCC(O)N1Cc2c(cccc3)c3cc(c24)cccc4 -MOL_01_006669,c1cc(F)cc(c12)c(O)ccc2CC(C)O -MOL_01_006670,Cc1ccc(cc1N)C2NCN(CN2)Cc3cc(O)cc(c34)ccc5c4cccc5 -MOL_01_006671,Oc1ccc(cc1)C(=O)CC23CN4CN(C2)CN(C4)C3 -MOL_01_006672,Fc1cccc(F)c1C(F)N(Cc2ncccn2)Cc3ccncc3 -MOL_01_006673,Cc1cnc(cn1)C(=N)NCC(C2)Cc(c23)cccc3 -MOL_01_006674,CCc1ccc(cc1)CC(=O)c2ccc(O)c(c2)CC(=O)N -MOL_01_006675,C1CNNCN1CCNCCc2ccccc2NCc3ccccc3 -MOL_01_006676,c1ccccc1CNC(=O)CNC(=O)c2cc(F)ncn2 -MOL_01_006677,Fc1ccc(cc1)C(=O)NC(C(F)O)COCCCF -MOL_01_006678,ClCc1ccc(N)cc1C(N)Nc2cccc(C)c2 -MOL_01_006679,c1cccc(c12)NCN2C(O)NCc3ccccc3CF -MOL_01_006680,Fc1cc(C(F)(F)F)cnc1CC(O)NCCCCCCCF -MOL_01_006681,c1ccccc1/C=C(\C(=O)F)Nc2cc(F)ccc2NCCN(CF)CF -MOL_01_006682,c1cccnc1C(O)CCN2CCC(OC2)Cc3ccccc3 -MOL_01_006683,c1cccc(c12)C(O)C(C2O)Cc(c3)ccc(c34)CC#C4 -MOL_01_006684,Oc1ccc(cc1)NC(=O)CNC(O)NCCc2cccnc2 -MOL_01_006685,c1ccccc1-c(c(C=O)c2)cc(c23)ccc(c3)N -MOL_01_006686,Fc1ccc(cc1)NC(O)Nc2cc(F)ccc2C(F)O -MOL_01_006687,FCCCC(F)(C(F)F)C(=O)NCCCNc1cc(F)nc(F)c1 -MOL_01_006688,CC(C)CC(O)CC(O)Cc1ccc(F)cc1 -MOL_01_006689,O=Cc1cc(N)cc(c12)cc3c(c2)[nH][nH]3 -MOL_01_006690,Fc1cc(ccc1)NC(=O)NCc2ccccc2C(F)O -MOL_01_006691,Cc1ccc(cc1N)/C=C/c(c2)ccc(c23)cc(cc3)C(C)O -MOL_01_006692,Cc1ncc(nc1C)NC(O)(O)c2ccc(F)cc2 -MOL_01_006693,C1CCC=C1C(CCC)C(O)c2ccc(N)cc2 -MOL_01_006694,CN(C)CCN(C1O)C(O)c(c12)cccc2 -MOL_01_006695,CC1=CC(C1N)C2=CC=C(C2=3)C(=N)C=CC3 -MOL_01_006696,C1CCCN1C(=O)C(=O)NNCc2c(F)ccc(c23)cccc3 -MOL_01_006697,FC(F)=CCCC(Cl)(C=O)NC(O)c1ccncc1F -MOL_01_006698,OC(O)c1ccc(cc1)C2C=C(C)CC2=O -MOL_01_006699,c1cccc(c12)CC(=N)C(\C2)=C\c3ccc(cc3)C(N)CN 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-MOL_01_006798,CC(F)(F)n1ccc(c1)C2CCN(CC2)CCNC(F)O -MOL_01_006799,Fc1cc(ccc1)NC(=O)CCn2ccnc2F -MOL_01_006800,ClCCC(=O)CCCNc1cc(C(F)O)cc(c12)cccc2 -MOL_01_006801,CNc(c1)ccc(c12)cc(F)c(c2)C(O)Nc3ccccc3 -MOL_01_006802,CC(=O)c1c(N)cccc1O -MOL_01_006803,CNc1ccccc1C(F)Nc2cccc(c2)NC(O)c3ccccc3 -MOL_01_006804,Fc1nccc(F)c1C(O)NCCN2CCNCC2 -MOL_01_006805,CC(O)c1ccccc1CCCC(=O)C(O)NCc2ccccc2 -MOL_01_006806,c1cccnc1C(CN)Cc2cc(CN)c(cc2)CCc3ccccc3 -MOL_01_006807,OC(F)C(OF)Oc1c(F)cc(F)nc1F -MOL_01_006808,COC(O)CCc1ccc(cc1)NCc2cc(C(Cl)O)ccc2F -MOL_01_006809,CNc1cc(ccc1F)CCc2cccc(c2)NCc3ccc(F)c(c3)CN -MOL_01_006810,CCc1ccccc1NC(O)NC(O)CC -MOL_01_006811,C=C(F)c1cccc(c1)C(=O)NC(O)N2CCCC2 -MOL_01_006812,Clc1nc(nc(c1)O)N(CN)Cc2ccc(F)cc2 -MOL_01_006813,FC(F)C(C)C(O)NCc1ccc(nc1)C2CCCC2 -MOL_01_006814,FNc1ccc(cc1CC)/C=C/Nc2nnc(F)n2N -MOL_01_006815,OC(F)CCc1ccc(c(F)c1F)CCC(F)O -MOL_01_006816,CCc(c1)ccc(c12)c(C)c(N)c(c2)O -MOL_01_006817,NCc1ccc(cc1)CC2C=C=CCC2CN -MOL_01_006818,CN1CCN(C)C(C1)CNC(O)N(F)Cc2ccccc2F -MOL_01_006819,C1CN=CN=C1CC(N)Cc2ccc(cc2)CC(O)(O)c3ccc(C)cc3 -MOL_01_006820,c1cccc(c12)C(O)=NC2c3ccccc3C=O -MOL_01_006821,Fc1cccc(F)c1CNNc(n2)cnc(c23)cccc3 -MOL_01_006822,NC(N)n(n1)c(C)c(c12)CCC2 -MOL_01_006823,Nc1cc(N)nc(n1)C2CCC(C(=O)O)CC2 -MOL_01_006824,Oc1ccc(cc1C)C(O)NCC(O)c2cccc(F)c2 -MOL_01_006825,c1cccc(c12)cc(C)c(c2)NCC(O)NC(=O)NCc3ccccc3 -MOL_01_006826,C1CCCC1CNC(O)C2CCCCN2Nc3ccc(F)cc3 -MOL_01_006827,FC(O)c1cccc(c12)CN(C2O)Cc3ccncc3 -MOL_01_006828,c1cnccc1CC(CN)C(O)Nc2ccc(CF)cc2 -MOL_01_006829,Cc1ccc(cc1)Cc2cccc(c2)C(NN)c3ccc(N)cc3 -MOL_01_006830,NCc1ccc(CN)c(c12)c(ccc2)OCc3ccc(C(N)N)cc3 -MOL_01_006831,c1cncn1CCC(F)c2ccc(nc2)CCc3cccnc3 -MOL_01_006832,O=C(F)CCCC(O)NCc1ccc(F)cc1F -MOL_01_006833,FCCCNC(O)c1ccccc1NCC2NCCN2 -MOL_01_006834,Cc1cc(C)c(c(F)c1)C(O)(O)c2ccc(F)cc2C -MOL_01_006835,c1ccccc1-c2cc(CN)c(c(c2)C(N)N)-c3ccc(C(F)(N)O)cc3 -MOL_01_006836,CN1CNNNC1NCNC(N)Cc2c(cccc3)c3cc(c24)cccc4 -MOL_01_006837,CCc1c(C)ccc(c12)C(O)c3c(C2O)ccc(C)c3CC -MOL_01_006838,CCc1ccccc1CCC(=O)CCC(O)CCC(O)C2CCCC2 -MOL_01_006839,Fc1ccccc1NC(O)NC(F)c2cccc(CF)c2 -MOL_01_006840,c1cccc(c12)c(ccc2)Cc(c3)ccc(c34)c(ccc4)C(O)CC5NN5 -MOL_01_006841,c1ccccc1CCC(=O)NC(O)Nc2ncccn2 -MOL_01_006842,C/N=C(\F)c1ccc(cc1)Cc2cc(NCN)cc(c2)C(C)C -MOL_01_006843,Nc1ccc(c(F)c1F)CNNc2ccc(F)nn2 -MOL_01_006844,FCCNC(O)c1ccccc1NCC2NCCN2 -MOL_01_006845,CC(O)/C(C(=O)F)=C(/F)N1CCN(CC1)Cc2ccccc2 -MOL_01_006846,NCc1ccc(cc1NC)CC(O)NCC(F)c2ccccc2 -MOL_01_006847,CCc1ccc(cc1CC)NC(O)CCC(C)O -MOL_01_006848,O=CC(O)c1cccc(c1)C(N)c2ccccc2 -MOL_01_006849,CNCNc1cc(F)nc(c1)CCc2ncccn2 -MOL_01_006850,FNC(O)C(F)(N)C(=O)NCc1ccc(F)cc1 -MOL_01_006851,OCc1cc(F)ccc1C(O)C2CCCCC2 -MOL_01_006852,NC1(N)CC(Cl)NC(N)N1c2ccccc2 -MOL_01_006853,Nc1cccc(c1)Nc2ccccc2NNNC3=CCN(C=C3)c4ccccc4 -MOL_01_006854,c1cccnc1C(O)NCCC(F)Cc2ccccc2 -MOL_01_006855,c1ccccc1CC(Cl)C(O)NCc2cccnc2 -MOL_01_006856,CC(=O)c(c(O)c1)cc(c12)cc(N)cc2N -MOL_01_006857,FNc1ccc(nn1)Oc2ncc(F)cc2F -MOL_01_006858,Fc(c1)c(C)cc(c12)cc(O)cc2CC(F)O -MOL_01_006859,NCc1cccc(c1)C2N=CC(NN2)N3CNC(NC3)c4ccccc4 -MOL_01_006860,CC(=O)CCc1ccc(F)cc1CCc2cccc(c2)CN(F)O -MOL_01_006861,Fc1cnc(cc1)C(CN)NNC(O)Cc2ccccc2 -MOL_01_006862,OC(F)C1CCN(CC1)C(O)c2cccc(c2)CN3CCNCC3 -MOL_01_006863,N=C(N)CC(CC)c1ccccc1CC(C)=N -MOL_01_006864,c1cnccc1C(=O)C(CO)CNc2ccc(F)cc2 -MOL_01_006865,CC(O)Cc(c1)ccc(c12)CCc3c(C2O)ccc(F)c3 -MOL_01_006866,CNc1ccc(cc1)NC(O)c2cccc(n2)C(=O)F -MOL_01_006867,FC1OCN(CO1)C(=O)COC(O)c(c(F)c2)cc(c23)cccc3 -MOL_01_006868,C=C(N)c1cc(ccc1)-c2ccc(O)cc2 -MOL_01_006869,FC(F)c1cc(ccc1)C(=O)N/N=C(\F)c2cccnc2 -MOL_01_006870,CC(O)c1cnc(n1C)/C=C/c2nccn2C -MOL_01_006871,CC(=O)c1ccc(cc1)C2=CCC(C(=O)O)CC2 -MOL_01_006872,Nc1ccc(c(F)c1N)CNNC(F)CCc2ccc(F)cc2 -MOL_01_006873,Fc1ccccc1C(=O)NNC(F)Nc2cc(F)cc(F)c2 -MOL_01_006874,Cc(c1)ccc(c12)c(ccc2)CC(=O)CCc3ccc(CN)cc3 -MOL_01_006875,CCc1ccc(CN)c(c1)C(O)c2ccccc2 -MOL_01_006876,NC1CCN(CC1)C(F)NC(O)c2ccc(F)cn2 -MOL_01_006877,CCc1ccc(F)cc1CC(O)Cc2ccccc2C(F)O -MOL_01_006878,c1ccccc1C(O)(O)Nc2ccc(cc2)C(O)CC3CN3 -MOL_01_006879,c1cccc(c12)ccc(c2)C(O)(O)NCNCN3CCN(CC3)Cc4ccccc4 -MOL_01_006880,NC(=O)c1cc(C(F)(O)O)c(F)cc1F -MOL_01_006881,CCc1ccc(cc1C(C)O)Cc2nc(C)cc(F)n2 -MOL_01_006882,NCCNCCCCCn1cnc(c1)CCCC(F)N -MOL_01_006883,Fc1ccc(cc1)NC(=O)CNC(=O)NCc2cccnc2 -MOL_01_006884,c1ccccc1NC(O)N(CC2)CCC23CCN(CC3)C(O)c4ccncc4 -MOL_01_006885,NC(F)NC(C)C(=O)NCC(=O)Nc1ccc(NC(F)F)cc1 -MOL_01_006886,Fc1nc(nc(F)c1)NCC(O)Nc2ccc(cc2)CNc3ccccc3 -MOL_01_006887,Oc1cncc(n1)CCc2cccc(c2)-c3ccccc3 -MOL_01_006888,OC(F)Cc1cccc(c1F)C(O)c2cccc(F)c2 -MOL_01_006889,FNC(O)NCCc1ccc(cn1)CCc2ccccc2 -MOL_01_006890,CCc1cc(CO)ccc1CC(O)c2cccnc2 -MOL_01_006891,Fc1c(F)cc(cc1C)/C=C2/NC(O)NC2=O -MOL_01_006892,Cc1cc(N)cc(c1)C2CCC(=N)C2 -MOL_01_006893,NC(=O)N(C)c1ccc(cc1)CC(O)Nc2ccc(ON)cc2 -MOL_01_006894,OCC(=O)CCn1c(O)c(F)c(F)c1F -MOL_01_006895,c1ccccc1-c2ccc(c(c23)cccc3)NCNC4CNNCN4 -MOL_01_006896,CN1CCC(NC1)CNC(=O)CNc2ccc(F)cc2 -MOL_01_006897,c1ccccc1NCC(O)c2ccc(cc2)C3CNCN3 -MOL_01_006898,Fc1ccc(cc1)OC(O)ONC(c2ccc(F)cc2)N3CCNCC3 -MOL_01_006899,Oc1cnc(cn1)NC2COCN(C2)COc3ccccc3 -MOL_01_006900,CC(=O)N1CCN(CC1)C(O)NC(O)c2ccc(F)cn2 -MOL_01_006901,O=Cc(c1)ccc(c12)NNc3c(C2O)ccc(c3)C -MOL_01_006902,NN1CCN(CC1)C(C)C(O)Nc2ccccc2F -MOL_01_006903,ClC1(Cl)NC(O)NC(=O)N1CCCCc2ccccn2 -MOL_01_006904,NCc(c1)ccc(c12)C(F)C(C=O)CC2 -MOL_01_006905,C1CCCNC1N(C)C(=O)NNC(F)c2nccnn2 -MOL_01_006906,Nc1ccccc1CC(C)CN -MOL_01_006907,Cc1ccc(cc1C)C(O)CCC(O)NC2CCCC2 -MOL_01_006908,C1CCCCC1C(O)N2CCNC2NCc3cccnc3 -MOL_01_006909,c1cccc(c12)ccc(c2)C(O)NC(C(=O)F)N/C=C/C3=CCCCN3 -MOL_01_006910,O=C(F)CNc1cccc(c1)CCCO -MOL_01_006911,c1c(O)ccc(c12)ONNC2C=C -MOL_01_006912,CCc1c(C(O)O)ccc(C(=O)C)c1C(=O)F -MOL_01_006913,OC(Cl)c1ncc(cc1)NC(=O)Nc2ccc(NF)nc2 -MOL_01_006914,CNc1ccc(cc1)C(C2O)C(O)c(c23)cccc3 -MOL_01_006915,OC1CCC(O)C1CCCCc2ccccc2 -MOL_01_006916,CCc1ccc(cc1NN)CC2CC(=O)C2 -MOL_01_006917,OC(F)c1cccc(c1)-c2cc(cc(cc3)C(F)O)c3c(c24)cccc4 -MOL_01_006918,Oc1nc(O)c(c(F)n1)/C(=C/F)CF -MOL_01_006919,Cc(c1)c(C)cc(c12)C(=N)C(C2=N)C(F)C -MOL_01_006920,NC(=O)c(c1)ccc(c12)c(ccc2)/C=C/c(c3)ccc(c34)cccc4 -MOL_01_006921,Fc1ccccc1C(O)Nc2ccc(c(F)c2)NC(O)c3ccccc3F -MOL_01_006922,Cc1ccc(cc1)C(O)CCCC(O)C2CCNCC2 -MOL_01_006923,c1cccc(c12)C(N)c3c(C2=O)cc4c(c3)c(N)ccc4 -MOL_01_006924,c1cccc(c12)cc(cc2O)C(O)Nc3ccc(C(F)(F)O)cc3 -MOL_01_006925,c1cnccc1NC(O)CCc2ccccc2 -MOL_01_006926,Cc1ccc(cc1)NCCN2OCC(O)CCC2=O -MOL_01_006927,c1cccc(c12)ccc(NC)c2NNCc3ccc(F)cn3 -MOL_01_006928,c1ccccc1NC(C2(O)O)C(CNCN2)Nc3ccccc3 -MOL_01_006929,Fc1ncc(cc1)C(=O)CCc2ccc(O)cc2 -MOL_01_006930,FNc1nc(ccc1F)CNC(O)NCNCc2cc(F)c(F)cn2 -MOL_01_006931,C1CC(C)CCC12NC(O)C(C2=O)CC(=O)CF -MOL_01_006932,CNc1cc(ccc1F)CNC(O)COc2ccc(CN)cc2 -MOL_01_006933,Cc1ccc(N)cc1C(O)Nc2cc(N)cc(N)c2 -MOL_01_006934,c1ccccc1Cc2cccc(c2)C(N)CCN -MOL_01_006935,Nc1ccccc1C2CC=NCN2 -MOL_01_006936,Fc1ccc(cc1)C(=O)NNC(=O)c2ccccc2N(F)O -MOL_01_006937,C1CC=NC1(CCO)CNCc2ccccc2 -MOL_01_006938,CCN(C)C(O)N1CCN(CC1)C(O)NCc2cn(cn2)Cc3ccc(F)cc3 -MOL_01_006939,FCNc1cnc(cn1)Oc2ccc(F)nc2 -MOL_01_006940,Cn1ccnc1NCc(n2)cn(c23)cccc3 -MOL_01_006941,CC(N)c1cc(C(N)CCl)ccc1N -MOL_01_006942,N=C(C1)Cc(c12)cc3c(c2N)cccc3 -MOL_01_006943,Fc1cc(cc(F)c1)NC(O)NCC(Cl)c2ccccn2 -MOL_01_006944,CCNC(F)(F)c(c1)ccc(c12)C(O)c3c(C2O)cccc3 -MOL_01_006945,Fc1c(F)c(F)cc(c1CN)CNC(F)CCC(F)O -MOL_01_006946,O=C1CC(F)CC(C1)Nc2ccc(NC(F)(F)F)nc2 -MOL_01_006947,CNCc1ccc(cc1)CC(O)CNc2ccccc2 -MOL_01_006948,OC(F)C(O)Nc1ncccc1F -MOL_01_006949,CC(N)c1ccc(cc1)NN(F)Nc2ccc(NC(F)(F)F)nc2 -MOL_01_006950,Cc1ccc(CCC(N)(O)O)cc1C(O)c2ccccc2 -MOL_01_006951,NC(C1)=C(N)c2cccc(c2c13)ccc3 -MOL_01_006952,c1ccccc1NCC(=O)CNC(F)NCC(N)(N)c2ccccc2 -MOL_01_006953,CCc1ccc(CCNO)c(c1)CC(F)C(F)O -MOL_01_006954,CC(N)Cc1ccc(cc1)CCCC(N)c2ccncc2 -MOL_01_006955,CCC(=O)Cc1ccc(N)c(c12)cccc2 -MOL_01_006956,NCc1ccc(cn1)CCC(=O)NCCCCCCCCF -MOL_01_006957,CC(=O)NCCc1ccc(cc1)CCc2ccc(NCF)nc2 -MOL_01_006958,c1ccccc1CC(O)CNCC(O)(O)C2NCN(CN2)c3ccccc3 -MOL_01_006959,Fc1cccc(F)c1C(O)NCCNc2ccccc2 -MOL_01_006960,c1ccc(C)c2c(O)c(c3c4c12)c(N)ccc3C=C4 -MOL_01_006961,NCNNC1CNCC(=C1)c2ccc(cc2)Cc3ccccc3 -MOL_01_006962,Cc1ccc(cc1)CCC(=O)CCCNC(O)c2ccccc2 -MOL_01_006963,c1ccncc1N(F)C(O)c2ccc(cc2)NNCNF -MOL_01_006964,CNc1ccc(cc1)CCC(=O)NCCF -MOL_01_006965,CC(C)Nc1ccc(cc1F)CNC(F)NCc2ccncc2 -MOL_01_006966,Fc1ccccc1NC(=O)NC(O)Cc2ccc(F)cc2 -MOL_01_006967,N1=CCCc(c12)cc3c(c2)ccc(c3)CCNC4NCNCN4 -MOL_01_006968,Fc1ccc(cc1)-n(c23)n(c(cc2)cc3)NC4NCCNN4 -MOL_01_006969,CNC(C)(C)C(C)CC/C(C)=C/NCc(c1)ccc(c12)ccc(c2)O -MOL_01_006970,c1ccccc1CN(O)C(O)CCCCc2ccccc2 -MOL_01_006971,CNc1ccccc1C(O)CNNCNc2ccc(C(F)N)cc2 -MOL_01_006972,n1cccnc1CC(=O)CC(=O)c2cccc(F)c2 -MOL_01_006973,NC1CNC(NC1)c(c2)ccc(c23)cccc3 -MOL_01_006974,CNC(O)C1CCN(CC1)C2NCN(CN2)C(O)c3ccccc3 -MOL_01_006975,c1ccccc1N(NC2NN2)CNC(O)c3ccccc3C -MOL_01_006976,CC(N)C(N)(N)c1cccc(c1)C(N)Cc2ccccc2 -MOL_01_006977,OCC(O)(O)N1CCNC1NCc2ccc(F)cc2F -MOL_01_006978,C1CCCCC1C(O)C(O)c2ccccc2F -MOL_01_006979,CC(O)c(n1)ncc(c12)nc(cn2)O -MOL_01_006980,c1ccccc1C(C)CNCCNC(O)CCc2ccc(F)cc2 -MOL_01_006981,CC1CCOC(O)N1CCNC(=O)Nc2ccc(F)cc2 -MOL_01_006982,CCC(CC)C(O)CC(C=C1)=C(C1=2)C(O)=C(C)C(=O)C2C -MOL_01_006983,CC(F)C(O)NNc1cc(c(F)cn1)Cc2ccccc2 -MOL_01_006984,CCCNCC(O)Cc1cccc(c1)C(O)(O)CC2CCCCCN2 -MOL_01_006985,OCc1c(O)cc(O)cc1-c2cccc(F)c2 -MOL_01_006986,FOCNCCOCCNNCNc1nccc(F)c1F -MOL_01_006987,Fc1ccc(cc1)CC(O)CC(O)c2cccc(F)c2 -MOL_01_006988,COC(O)c(c1C)ccc(c12)c(O)c(cc2)Cc3ccccc3 -MOL_01_006989,Fc1ccc(cc1)CCC(=O)NCCNNc2ccc(F)cc2 -MOL_01_006990,ClCC1(F)C(=O)NC(N1)NC23CCC(C2)CC3 -MOL_01_006991,OC(F)NCNCc1ccc(nc1)CCOc2cncnn2 -MOL_01_006992,Cc1cc(N)ccc1C(N)c2ccccc2 -MOL_01_006993,CCN(CC)C(O)Cc(c1)cc(C(=O)F)c(c12)cccc2 -MOL_01_006994,CNc1ccc(cc1)CC(F)(F)Nc2ccc(cc2)CCC(O)NF -MOL_01_006995,NC1CC(=O)C(C1)c2ccccc2 -MOL_01_006996,Oc1ccc(c(O)c1)C(O)/C=C/c2cc(F)cc(F)c2 -MOL_01_006997,O=C(F)Nc1ccc(F)c(c1)NCC(F)C(F)O -MOL_01_006998,Fc1ccccc1NC(O)c2ccccc2NCc3ccccc3 -MOL_01_006999,OC(F)CCc1ccccc1C(O)Nc2ccc(F)cc2 -MOL_01_007000,C1CCCNC1N(C)C(=O)NC(O)c2ccc(F)cc2 -MOL_01_007001,C1CCNCN1C(O)NC2CCN(CC2)Cc3ccccc3 -MOL_01_007002,C1CNCN1C(O)(O)c2ccc(cc2)CNC(F)CNc3ccccc3 -MOL_01_007003,Fc(c1)c(O)nc(c12)ncc(F)c2 -MOL_01_007004,c1nccnc1C(O)CCCc(c2)ccc(c23)cccc3 -MOL_01_007005,CCCCCNC(O)c1ccc(cn1)C(F)(O)O -MOL_01_007006,C1CCCC=C1NCNC(O)CCC(O)c2cccc(CF)c2 -MOL_01_007007,OC(F)CCC(O)c1ccc(c(F)c1)C2CCCCC2 -MOL_01_007008,FCc1ncnc(n1)-c2ccc(N)c(N)c2 -MOL_01_007009,NC1CC(O)=C(C(=O)N1)OCc(c2)ccc(c23)cccc3 -MOL_01_007010,Clc1cnc(cc1)C(O)NC(Cl)c2ccc(F)cc2 -MOL_01_007011,Cc1cc(F)nc(n1)NCC(O)c2cccc(O)c2 -MOL_01_007012,Oc1ncnc(c12)nccc2F -MOL_01_007013,NNCCc(c1)ccc(c12)cccc2NCc3ccccc3 -MOL_01_007014,CC/C=C/Cc1cc(O)cc(c12)cc(O)cc2O -MOL_01_007015,NCCCN(C)C(F)Cc1cncc(F)c1O -MOL_01_007016,CCc1ccc(cc1)/C=C/Nc2nc(N3CCCC3)nc(n2)N4CCOC4 -MOL_01_007017,c1cccc(c12)c(O)c3c(c2)cc(cc3F)NCC(F)CNNCF -MOL_01_007018,CCc1cccc(c12)C(O)c3c(C2O)ccc4c3CCC4 -MOL_01_007019,FNC(F)(C)CCCNC(O)c1cccc(c1)CC -MOL_01_007020,CCCCC(=C(C1=2)C=CC2)C(=O)C(=C1O)CCO -MOL_01_007021,C1CCCC1C(O)OCCC(O)NCc2ccccc2Cn3ccnc3 -MOL_01_007022,Cc1ccc(N)c(c1)NC(O)c2ccccc2 -MOL_01_007023,FCn1ccnc1CNC(O)N2CCC(CC2)CCc3ccccc3 -MOL_01_007024,c1cccnc1/C(=C\C(F)O)COc2ccc(F)cc2 -MOL_01_007025,CNc1cc(ccn1)Nc2cccc(c2)NC(O)NCF -MOL_01_007026,Fc1ncccc1C(O)CCC(O)N2CCNCC2 -MOL_01_007027,O=C1C#CCN1CCCNC(O)CNc(c2)cc(F)c(c23)cccc3 -MOL_01_007028,Nc(c1)ccc(c12)cccc2CC(=O)Cc3ccccc3 -MOL_01_007029,CN(C)c1nc(F)nc(n1)Nc2ccccc2CF -MOL_01_007030,CCCC(O)c(c1N)ccc(c12)cccc2 -MOL_01_007031,CNC(=N)CCc1cc(C(C)=N)cn1C -MOL_01_007032,CCc(c1)ccc(c12)cc(/C=C/C(=O)NCF)c3c2cc(NC)c(c3)NC -MOL_01_007033,Cc1ccc(cc1)NC(O)Cc2ccc(O)cc2O -MOL_01_007034,CN(C)CCCNCCCNc1cc(O)cc(c12)cccc2 -MOL_01_007035,Fc1c(O)ccc(c1CO)-c2ccccc2 -MOL_01_007036,CC(Cl)Nc1cc(Cl)nc(n1)NC(Cl)O -MOL_01_007037,FC(F)c1ccc(cc1)NC(F)NCc(c2)ccc(c23)NCN3 -MOL_01_007038,CCCc1ccc(cc1)C(CCC(=O)C)CCC(=O)NC(C)C -MOL_01_007039,c1cccc(c12)cc(cc2O)CC3N=CCCN3 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-MOL_01_007122,OCCCc1ccccc1/C=C/C(O)c2ccc(F)cc2F -MOL_01_007123,Fc1cc(ccc1)C(O)NC(=O)NCNc2ccccc2 -MOL_01_007124,CNC(=O)CCc1ccc(cc1)CNCc2ccc(F)cc2F -MOL_01_007125,OC1N(C)C(O)c2cccc(c2c13)c(CCl)cc3 -MOL_01_007126,FN(F)CC(N)CNc(c1)ccc(c12)cc3c(c2F)cc(C(F)F)cc3 -MOL_01_007127,NCC(=O)Cc1ccc(cc1)Cc2ccc(cc2)CCC3=NC3 -MOL_01_007128,CN(F)c1ccc(cc1)NNC(F)c2ccc(F)nc2 -MOL_01_007129,CC(=O)c1ccc(N)c(C)c1N -MOL_01_007130,Cc1ccc(c(F)c1)C(O)NCCCN2CCNCC2 -MOL_01_007131,CC(F)c1ccc(cc1)C(=O)NNC(O)NC(=O)c2ccccc2 -MOL_01_007132,OC(F)(O)Nc1ccncc1Nc2cc(F)nc(F)c2 -MOL_01_007133,Nc1cccc(c12)NNC2NC(N)c3ccccc3 -MOL_01_007134,C1CNCCN1CC(O)NCCc2ccc(F)c(F)c2 -MOL_01_007135,NCCCN(C)C(O)CN1CCCC1Cn2cc(Cl)cn2 -MOL_01_007136,Fc1cc(F)ccc1CCNC(=O)C(O)NCCc2ccc(F)cc2F -MOL_01_007137,FNc1ccc(cc1)NC(O)CCCCCOc2ccccc2 -MOL_01_007138,C1CNCCN1C(O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2 -MOL_01_007139,OC(F)CNc1ccc(cc1)NC(O)c2cccnc2 -MOL_01_007140,c1ccccc1C(N)CC2=CCN(N2)Cc3ccccc3 -MOL_01_007141,FN1C(F)=C(F)N(Cl)C(=C12)NCNCN2 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-MOL_01_007163,FCC(NF)NC(=O)CCNCc1ccccc1CC(F)F -MOL_01_007164,CC(O)c1cc(CCC(Cl)Cl)cc(c1F)C(Cl)O -MOL_01_007165,Fc1cc(ccn1)NC(=O)CNC(O)c2ccccn2 -MOL_01_007166,c1ccccc1C(O)CN(CN(C)C)C(O)Nc2ccc(CN)cc2 -MOL_01_007167,c1ccccc1C(O)CCC(O)CCc2ccccc2F -MOL_01_007168,c1ccnnc1C(O)CNc2cccnc2 -MOL_01_007169,c1ccccc1CCC(O)c2ccc(cc2)NCC3NCCN3 -MOL_01_007170,Cc(c1)ccc(c12)cc(cc2F)C(O)CC(F)O -MOL_01_007171,CNCCc1ccc(cc1)/C=C/C(O)NCCC2=CCNCC2 -MOL_01_007172,Fc1cc(ccc1)C(O)(O)c2cccc(F)c2 -MOL_01_007173,CC(O)CC(O)Cc1cccc(F)c1F -MOL_01_007174,OCc(c(C)c1)cc(c12)c(O)c3c(c2)ccc(c3)C -MOL_01_007175,Oc1cc(C(O)(O)O)ccc1F -MOL_01_007176,CCCc1cccc(c1)C(O)Nc2cccnc2 -MOL_01_007177,FCC(=O)N1CCC(CC1)c2nc(F)cc(F)n2 -MOL_01_007178,OCCCc1ccc(F)cc1C(F)O -MOL_01_007179,CNCCNc1ncc(c(F)n1)Cc2ccccn2 -MOL_01_007180,Oc(c1)c(N)cc(c12)c(C(F)(F)F)cc(F)c2 -MOL_01_007181,O=c1ccccc(F)c1NC(O)C(O)NCF -MOL_01_007182,Fc1ccc(cc1)NC(O)C/C=C(\F)c2cnccn2 -MOL_01_007183,Cc1cc(N)cc(c12)ccc(c2N)C(C)(C)N -MOL_01_007184,c1cccc2c(ccc3c12)NNCNCCCCNNC3 -MOL_01_007185,FC(F)NCc1cc(F)ccc1C(O)c2ccccc2CNC(F)F -MOL_01_007186,C1CNCC1NC(F)c2ccc(cc2)Nc3ccncc3 -MOL_01_007187,OC(O)CCC(O)Nc1ccc(F)cc1F -MOL_01_007188,c1cnccc1CN(F)Cc2ccc(nc2)CN(F)Cc3ccncn3 -MOL_01_007189,CNCCC1=C(CCC1O)CNc2cccc(c23)cccc3 -MOL_01_007190,Fc1ccccc1CNC2N=CC(CN2)CNCc3ccccc3 -MOL_01_007191,OC1NC(CN1)NCc(c2)cc(NN)c(c23)c(N)c4c(c3)cc5c(c4)cccc5 -MOL_01_007192,OC(F)/C=C/C(O)Nc1ccc(F)cc1F -MOL_01_007193,Nc1c(F)cc(cc1F)CCC(=O)c2ccncc2 -MOL_01_007194,OCc1ccc(cc1)NC2C(N)N(C2N)c3ccccc3 -MOL_01_007195,FC1NNC(=O)C1CCC(=O)NNCc2ccc(F)cc2F -MOL_01_007196,NCc1c(C)cc(cc1C)C(F)(O)Cc2ccc(C=N)cc2 -MOL_01_007197,CNc1ccc(nc1)C(=O)CCCCCCCC(O)NF -MOL_01_007198,c1cccc(c12)CCCC2Cc3cc(CN)cc(c3)CO -MOL_01_007199,FC1(F)CC(=O)C(C(=O)C1)CNCC(F)c2ccccc2 -MOL_01_007200,Fc1ccc(F)cc1C(O)CCNC(O)C2CC2 -MOL_01_007201,CCC(F)(O)c1nc(O)c(C(F)O)c(n1)O -MOL_01_007202,CNc1cccc(c1)CCNC(O)c2ccc(ON)cc2 -MOL_01_007203,Fc1ccc(cc1)C(O)CNC(O)c2cnc(Cl)cn2 -MOL_01_007204,Cc1ccnc(n1)NCC(=O)N2CCC(C(=O)F)CC2 -MOL_01_007205,c1cccnc1NC(O)Nc2ccc(cc2)/N=C/c3ccccc3F -MOL_01_007206,CNCCC(O)Nc1ccccc1N2CCNCC2 -MOL_01_007207,Cc1ccc(cc1)C(=O)CCC(=O)c2ccccc2CN -MOL_01_007208,OC(F)c1ccccc1NCCn2ccnc2 -MOL_01_007209,CNC(O)c(c(=O)c1)cc(c12)c2 -MOL_01_007210,FC(F)(F)CC(=O)NC(C(F)O)Cc1ccccn1 -MOL_01_007211,Nc1ccc(cc1)C2CC(=O)C(C2)Cc3ccccc3 -MOL_01_007212,CC(O)c1cccc(c1)Cc2ccc(C(C)O)cc2CF -MOL_01_007213,CCNC(O)CNCc1ccc(cc1)NCc2cccc(F)n2 -MOL_01_007214,FC(O)C(F)c1ccc(c(c12)ccc(N)c2)Cc3ccc(CF)cc3 -MOL_01_007215,NCc1cc(NN)ccc1CN2CNC(NC2)N3CNC(NC3)c4ccccc4 -MOL_01_007216,c1cccnc1NC(=O)CC(O)NCCCCNCCF -MOL_01_007217,NCc1cccc(c1)/C=C/C(O)c2cccnc2 -MOL_01_007218,c1ccncc1C(O)N(C2CC2)Cc3ccncc3 -MOL_01_007219,C1NC1C(N(F)N)Nc2ccccn2 -MOL_01_007220,O=C(F)Cc1ccc(c(F)c1)CCc2ccncn2 -MOL_01_007221,CN1CNCC1NC(O)Nc2cccc(F)n2 -MOL_01_007222,Cc1ccc(cc1C(C)O)C(O)(O)Nc2ccccc2 -MOL_01_007223,CCC(O)Cc(c(C)c1)cc(c12)c(F)cc(c2)N -MOL_01_007224,Cc(c1)ccc(c12)cc(C(C)(C)O)cc2O -MOL_01_007225,Nc(c1)ccc(c12)c(cc(c2)O)CNc3ccc(N)c(O)c3 -MOL_01_007226,C=C=CCCc1cccc(c1)NC(F)NC(=O)CF -MOL_01_007227,Fc1nc(ncn1)NCC(CCN)CCc2cccnc2 -MOL_01_007228,Nc1ccc(cc1)C(F)Nc2ccc(cc2)NC(O)c3cncnc3 -MOL_01_007229,CCCC(O)Cc1ccc(cc1)NC(O)Cc2ccccc2 -MOL_01_007230,OC1(O)CCC(CC1)Cc2ccc(F)cc2 -MOL_01_007231,Nc(c1)ccc(c1=2)=CC(\C2)=C3/C(C)=CC=C3N -MOL_01_007232,OC1NCCN1C2CCN(CC2)CCNc3ccccc3F -MOL_01_007233,OC(F)c1ccc(c(F)c1)NCc2cncnc2 -MOL_01_007234,CC(C)(N)NCNc1ccc(cc1)CCc2cccnc2 -MOL_01_007235,Cc1ccccc1CCc2cc(O)cc(c2)CN -MOL_01_007236,OC/C=C/c1cccc(c1)Cc2ccc(Cl)cc2O -MOL_01_007237,Oc1cc(=O)n(cc1C)Cc2cccc(F)c2 -MOL_01_007238,NC(F)c1ccc(cn1)Nc2ccc(F)cc2 -MOL_01_007239,Oc1cc(nc(n1)O)NNc2cccc(F)c2 -MOL_01_007240,Oc1ccc(cc1)C(O)(O)CNC(O)c2ccncc2 -MOL_01_007241,c1ccnnc1CC(N(C)C)CCC2=CC=N2 -MOL_01_007242,O=C1NC(F)=CC(N1)c2ccccc2 -MOL_01_007243,NC(N)CNc(ccc1)c(c12)cc(cc2)CN -MOL_01_007244,Nc1cc(O)cc(c12)cc(cc2)CCc3cccc(c3)NC(N)O -MOL_01_007245,FN1N=CN(C=C1)C(CF)CNNCONc2ccc(F)nc2 -MOL_01_007246,O=C(F)CC(C(O)O)c1cccc(F)c1C -MOL_01_007247,CC(O)CCc1cc(CC(C)O)nc(n1)CCc2ccccn2 -MOL_01_007248,OC(F)NCCc1ncc(C(F)(F)F)cc1F -MOL_01_007249,c1ccccc1-c(c2)cc(N)c(c2=3)=CC(C3)=N -MOL_01_007250,c1ccccc1C(O)c(c2)ccc(c23)N3 -MOL_01_007251,FCc1cccc(c1)C(O)CCC(F)O -MOL_01_007252,OC(F)(O)c1ccc(cc1)CNCC(O)CNC(F)c2ccccc2Cl -MOL_01_007253,c1cccc(c12)C(O)c3c(C2O)cc(cc3)NC -MOL_01_007254,C1OC1NC(O)NC(=O)CN(CC(F)F)c2ccccc2 -MOL_01_007255,CC(C)c1ccc(cc1)/C=C/CC(=O)CCN -MOL_01_007256,FC(F)Nc1ccc(cc1)C(=O)NCN2CCNCC2 -MOL_01_007257,CCCC(O)CC(O)Cc1ccc(C)cc1 -MOL_01_007258,c1ccccc1C(O)NCCNCC2=NCN(CC2)Cc3ccccc3 -MOL_01_007259,CC(F)c1cccc(c1)C(=O)CNC(O)c2ccccc2 -MOL_01_007260,CNCCNCC(=O)c(c1N)ccc(c12)cccc2 -MOL_01_007261,NCc1ccc(cc1)CNc2ccc(c(F)c2)Cc3ccccc3N -MOL_01_007262,c1ccccc1Nc2nc(N(C)C)nc(n2)Nc3ccc(F)nn3 -MOL_01_007263,c1cccc(c12)ccc(c2)C(=O)CN3CCNC3NC(F)O -MOL_01_007264,NCc1cc(CN)cc(c1)CCc2ccc(cn2)C(F)(F)O -MOL_01_007265,Nc1cccc(c1)CC(O)Cc2cccc(N)c2 -MOL_01_007266,CC(O)c1ccnc(c1)C(O)NCCN(C)C -MOL_01_007267,c1ccccc1CNc2nc(NCF)nc(n2)Nc3ccc(F)nn3 -MOL_01_007268,Cc1cccc(c1)C(O)Cc2cccc(c2)CCC(C)O -MOL_01_007269,NCc1ccc(cc1)CNC(=O)CCC(=O)CN2CCCCC2 -MOL_01_007270,Fc1cnccc1NC(O)COC(O)NCOc2cccnc2 -MOL_01_007271,CCNC(O)CNC(=O)CNC(F)c1ccc(cc1)CCCCF -MOL_01_007272,c1ccc(F)c(c12)CC(C)N2C(O)Cc3nc(O)cc(n3)N4CCCCC4 -MOL_01_007273,COc1ccc(cc1OC)-c(c2)cc(CC=N)c(n23)ncc3-c4ccccc4 -MOL_01_007274,c1cccc(c12)N(CC2(C)C)C(N)Cc3nc(N)cc(n3)N4CCCCC4 -MOL_01_007275,CCCC(=O)C1CCCN(C1)c2ncnc(c23)n(C)cc3 -MOL_01_007276,Cc1nccn(c12)c(cn2)-c3ccc(CN)c(c3)CN -MOL_01_007277,Clc1ccccc1CCC2CCCN2c3ncnc(c34)nccc4 -MOL_01_007278,CN(C)CCCN(C)c1cc(C)c(c(c1)C)-c(c(C)nc(n23)ncn3)c2NC(C)C(C)(C)C -MOL_01_007279,NCCC(=O)N1CCN(CC1)c2ncnc(CC)c2CCc3ccc(N)nc3 -MOL_01_007280,NC1CCCC(C1)Cc(c2)ccc(n23)ncc3-c4cccc(Cl)c4 -MOL_01_007281,Cc1ccccc1CCC2CCCN2c3ncnc(c34)nccc4 -MOL_01_007282,NC(O)c1ccc(cc1CC)-c2cnc(n23)cc(cc3)N4CCN(C)CC4 -MOL_01_007283,COc(cc1)cc(O2)c1C(N)CC23CCC(CC3)Cc4ccc(F)cc4 -MOL_01_007284,n1cccc(c12)cccc2Cn(cn3)c(N)c(c34)c5c(c4)CC(CC5)NCCN6CCOCC6 -MOL_01_007285,C1CC1NC(=N)c2ccc(cc2)-c3cnc(n34)c(CCc5ccco5)nc(c4)-c6ccccc6 -MOL_01_007286,C1CCCCN1c2cc(O)nc(n2)CC(O)N3CCc(c34)nccc4 -MOL_01_007287,CCCCN1CCN(CC1)c2ncnc(CC)c2CCc3ccc(N)nc3 -MOL_01_007288,Nc(c1)c(N)cc(c12)C(N)c3n2ccc4c3nc5c4cccc5 -MOL_01_007289,CCc1ccc(cc1)-n(c2O)cnc(c23)c4c(c3)ncc5c4NCCC5 -MOL_01_007290,c1cccnc1-c2nnc(n2-c3ccccc3C)CCC(=O)Nc(c4)ccc(c45)CNC5 -MOL_01_007291,NC(=O)CC(CN)NC(=O)C1CCCN1C(=O)CCc2ccc(cc2)-c3cccc(F)c3 -MOL_01_007292,NC(=O)CC(CN)NC(=O)C1CCCN1C(=O)CCc2ccc(cc2)-c3ccc(F)c(F)c3 -MOL_01_007293,C1CCn(c12)c(N)c3c(n2)cc(c3C)C(N)N4CCN(CC4)c5ccccc5F -MOL_01_007294,c1cccc(c12)ccc(OC)c2Cn(c3N)cnc(c34)cc5c4CCC(C5)NCC6CCOC6 -MOL_01_007295,NOCCN1CCN(CC1)c2ncnc(CC)c2CCc3ccc(N)nc3 -MOL_01_007296,Cc1nc(ccc2)c(n3)c2CCCN(C)CCn(n4)c(C)c(c4c5c13)ccc5 -MOL_01_007297,CN(C1)CCc(c12)c3c(c2)ncn(c3O)CCN4CCN(CC4)c5cccc(c56)cccn6 -MOL_01_007298,COCCNC(C1)CCc(c12)c3c(c2)ncn(c3N)Cc4ccc(OC)c(c45)cccc5 -MOL_01_007299,CN(C1)CCc(c12)c3c(c2)ncn(c3N)CCN4CCN(CC4)c5nccc(c56)cccc6 -MOL_01_007300,Cc1ccccc1CC2CCN(C2)c3ncnc(c34)cc(CN)c(c4)CN -MOL_01_007301,Fc1ccc(cc1)CCc2cc(cnc2Cl)-c(n3)ccc(n34)ncc4 -MOL_01_007302,CN(C1)CCc(c12)c3c(c2)ncn(c3N)CCN4CCN(CC4)c5ccccc5OCc6ccccc6 -MOL_01_007303,NCc(c1)c(CN)cc(c12)ncnc2N3CCC(C3)Cc(c4)ccc(c45)nccc5 -MOL_01_007304,C=C1C(=C)CNc(c12)c3c(cn2)n(Cc4ccc(F)cc4)cc3CC(C)CNCN -MOL_01_007305,c1cccc(c12)ccc(c2)Cn(cn3)c(N)c(c34)c5c(c4)CC(CC5)NCc6ccco6 -MOL_01_007306,Clc1cc(ccc1)CC(N)Cn(cn2)c(N)c(c23)cc4c3cc5c(n4)CCCC5 -MOL_01_007307,NCc(c1)c(CN)cc(c12)ncnc2N3CCC(C3)Cc4ccccc4CN -MOL_01_007308,C1CCc(c12)c3c(c2)n4c(nc3N)c5c(C4)cccc5 -MOL_01_007309,CCc(c1)ccc(c12)nc3c2c4c(cccc4)c(N)n3C(N)n5nc(C)cc5C -MOL_01_007310,Nc1ccc(cc1)-c2ncc(c23)nc(N)n(c3O)-c4ccc(cc4)N5CCCCC5O -MOL_01_007311,c1cccc(c12)c3c(n2C)c(=N)n(CC(C)C)cc3C(=N)NCCCN4CCCC4=N -MOL_01_007312,CN(C1)CCc(c12)c3c(c2)nc(n(c3O)CC)CCC(O)c4ccccc4 -MOL_01_007313,c1cccc(c12)c(cn2C)C3=C(C(=N)CC3=N)c4ccccc4Cl -MOL_01_007314,C1CCn(c12)c(O)c3c(n2)cc(c3C)C(O)Nc4cccc(C(F)(F)F)c4 -MOL_01_007315,CN(C)c1ccnc(c12)cc3c2ncn(c3N)-c4ccc(CN)cc4 -MOL_01_007316,C1CCCn(c12)c(O)c3c(n2)cc(c3C)C(O)NCCc4ccc(CN)c(c4)CN -MOL_01_007317,c1cccnc1CNC(=C)CN(C2=C)N=Cc(c23)c4c(cccc4)n3Cc5ccc(F)cc5 -MOL_01_007318,CC(C)CC(N)Cc1cccc(c1)-c(n2)cn(c23)cccn3 -MOL_01_007319,c1cccc(c12)cccc2Cn(cn3)c(N)c(c34)c5c(c4)CC(CC5)NCc6ccncc6 -MOL_01_007320,C1CCN(C12)c3c(CC2)cc4c(n3)N(C=C(C4=C)C(=C)C)Cc5ccc(CN)cc5CN -MOL_01_007321,NCCC(C)c1ccnc(c12)cc3c2ncn(c3N)-c4ccc(Cl)cc4 -MOL_01_007322,C=C1CCC(CN1)Nc2nc(-c3ccc(C(C)(C)C)nc3)cc(c24)N=CN(C)C4=C -MOL_01_007323,C1CCCC12c3c4c(CC(C)(C)CC4N)nc(C(C)C)c3C(N2)c5ccc(cc5)C(C)(C)CN -MOL_01_007324,C=C(O)c1cccc(Cl)c1C(N=2)=NC(C23)=c4c(=NC3=O)cc(cc4)-c5ccccc5 -MOL_01_007325,c1ccc(c2c13)c(=C)n(c(=C)c2ccc3)CCCCc4nnc(-c5ccncc5)n4-c6ccc(CC)cc6 -MOL_01_007326,c1ccccc1Cc2c(NC)nn(c23)c(CN)cc(n3)-c4cccnc4 -MOL_01_007327,CCc1ccccc1-n(c2O)cnc(c23)c4c(c3)nccc4N(C)C -MOL_01_007328,c1cc(Cl)cc(c12)C(=N)c3n2ccc4c3nc5c4cccc5 -MOL_01_007329,C1CCCn(c12)c(O)c3c(n2)cc(c3C)C(O)NCc4ccccc4Cl -MOL_01_007330,CC1CCN(CC1)C(O)c(c2C)cc(c23)ncn(c3O)CC(O)N4CCN(CC4)c5ccccn5 -MOL_01_007331,C=C(C)CN(C(=N1)C)C(=C)c(c12)c3c(ccc(c3)CN)nc2-c4ccc(C)cc4 -MOL_01_007332,N=C1N=Cc(c12)n(C3CC3)c4c(c2=N)cc(F)c(c4)-c5ccc(cc5)CCN -MOL_01_007333,Cn1cc(cn1)-c(c2)cnc(c23)cc4c3n(CCC5CCCO5)c(O)nc4-c6ccncc6 -MOL_01_007334,CN(C1)CCc(c12)c3c(c2)ncn(c3N)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_007335,C1CCCCN1CC(=NC2=N)N=C(C2=3)C=C(C3)c4cn(c(c45)cccc5)Cc6ccccc6 -MOL_01_007336,CCc1ccnc(c12)C(N)c3c4c2nccc4c(cn3)CC -MOL_01_007337,C=C(C)C(C1=C)=CN(C2CC2)c(c13)nc(c(c3)C)C4=CC(N)CC4 -MOL_01_007338,C1CCCCc(n12)nc3c(c2O)cc(N)c3C(O)CCCCN4CCCCC4 -MOL_01_007339,C1CCCCn(c12)c(O)c3c(n2)cc(c3C)C(O)Nc4ccccc4 -MOL_01_007340,Cc1ncc(cc1)C(N)N(CCCN)C(CC)c(nc(c23)ccc3)n(c2N)Cc4ccccc4 -MOL_01_007341,CCCc1cc(cnc1CN)-c(c2)ccc(c23)ncnc3NCCN(C)C -MOL_01_007342,c1cccc(c12)c3c(n2)c(N)n(-c4cc(ON)ccc4)c(n3)CCc5ccc(F)cc5 -MOL_01_007343,C=C(N)CCc1c(CCC2)n2c(c13)c(=C)c(C)c(c3=C)CN -MOL_01_007344,FC(F)(F)c1c(Cl)c(ccc1)CN(C(C2)C3CC3)C(N)c(n24)ccc4-c5cnccn5 -MOL_01_007345,C1CCCC1NC(=C)CCn2cnc(c2)CCC(=C)C(C)n3cnc(c34)N(C)C(=C)N(C)C4=C -MOL_01_007346,Cc1cccc(C)c1-n2ccnc2C(C3CC3)N(CC4)CCC45C(O)NCN5c6ccccc6 -MOL_01_007347,C1CCCN1CCNC(N)c(c2OC)cc(c23)c4c(cccc4)n(c3N)CC(N)c5ccccc5 -MOL_01_007348,Cc1ccc(cc1)C(O)N(CCCN)C(CC)c(nc(c23)ccc3)n(c2O)Cc4ccncc4 -MOL_01_007349,CC(C)C(N1)Cc(c12)c(N)c3c(c2)N=C4C(C3=N)=c5c(=N4)cc(N)cc5 -MOL_01_007350,N=C1N=Cc(c12)n(C3CC3)c4c(c2=N)cc(F)c(c4)-c5cccc(c5)CN -MOL_01_007351,COCCNC(C1)CCc(c12)c3c(c2)ncn(c3N)Cc4cccc(c4)-c5ccccc5 -MOL_01_007352,CCc1ccc(cc1CC)-c2nn(C)c(c23)CC(N)=C(CN)C3c4ccccc4 -MOL_01_007353,CN1CCC(C1)n2cc(c(c23)cccn3)CC4=C(Cl)NC(N45)CN=C5 -MOL_01_007354,Cc(c1)cc(c12)n(CC)c3c2cnn(c3O)CC(O)Nc4c(C)nn(C)c4C -MOL_01_007355,CCCCNC(N)CCc(n(CC)c1N)nc(c12)cc3c2CCCC3 -MOL_01_007356,COc1cccc(c1)Cn(c2O)cnc(c23)cc4c3CCC(C4)NCc5ccc(OC)nc5 -MOL_01_007357,Cn1cnc(c12)cnc3c2c4c(c3)c(O)n(cn4)-c5ccc(F)cc5 -MOL_01_007358,NCc1cc(CN)ccc1NC(=C)CCC(C(=C)N2C)=Nc(c23)c(C)nn3-c4ccc(C)cc4 -MOL_01_007359,NOCCN1CCC(CC1)CNc(n2)ccc(c23)ncn3-c4cccc(c4)OC(F)(F)F -MOL_01_007360,CC1(C)CC(C)C(C)N(C1=C)c2cc(ccc2CN)-c3cc(Cl)c(n34)c(N)ncc4 -MOL_01_007361,C=C1N(C)C(=C)N(C)c(c12)nc(n2CC(=C)CCN)CC3CCCCC3 -MOL_01_007362,c1cccc(c12)c3c(c(=N)n2CCN)c4c(C3=N)cc(cc4)CCCN -MOL_01_007363,O=C1CC(=O)NC12n3c(ccc3)C(=O)C(C2=O)Cc4ccc(F)cc4 -MOL_01_007364,CCn(c1)n(CC)cc(c12)n(C)c(c(F)n2CNC)C(F)Cc3ccc(cc3)C(F)CCNC -MOL_01_007365,CCc1c(CC)ccc(c12)C(CC2=O)c3c(C)n(c(CN)nc3=O)-c4ccccc4 -MOL_01_007366,COc1cccc(c1)CNCc2cnc(n23)ccc(n3)-c4cnc(N)c(c4)C(C)(C)C -MOL_01_007367,c1ccc(c12)c(O)n(C)c3n2c(nn3)CCC(O)N4CCN(CC4)c5ccc(F)cc5 -MOL_01_007368,n1cnc(c12)c(N)n(C3CC3)c4c2cc(F)c(c4)N5CCC(N)C5 -MOL_01_007369,CCNc1cc(cnc1CC)-c(c2)ccc(c23)ncnc3NCCN(C)C -MOL_01_007370,C1CCCCC12CCCN(C2)C(c(c3)c(N)nc(c34)ccc(c4)C)c5nccn5C6CCCO6 -MOL_01_007371,CC(=O)c1ccc(cc1)C2C(C(=O)CCC)=C(Cc(n23)ncn3)c4ccccc4 -MOL_01_007372,CCC(C)(OC1)Cc(c12)c3c(c2)nnn(c3N)CC(N)Nc4cccc(c45)cccc5 -MOL_01_007373,NCc1ccc(cc1)-c(c(F)c2)cc(c23)n(C4CC4)c5c(c3N)c(N)nc5 -MOL_01_007374,c1ccccc1Cn(cn2)c(N)c(c23)c4c(c3)CC(CC4)NCCc5cccnc5 -MOL_01_007375,C=C(C)C(C1=C)=CN(CC)c(c12)nc(c(F)c2C)N3CCC(N)C3 -MOL_01_007376,CCN1CCN(CC1)Cc2cnc(n23)ccc(n3)-c4cncc(C(F)(F)F)c4 -MOL_01_007377,C=C(C)C(C1=C)=CN(C2CC2)c(c13)nc(c(F)c3)N4CCC(C4)NC(=C)C(C)N -MOL_01_007378,CCOc1ccc(cc1)-n(c2N)c(CC(C)C(N)OC)nc(c23)c4c(n3)cccc4 -MOL_01_007379,c1cccc(c12)C=C3C(C2=O)=C(c4ccncn4)N=C3Cc5ccc(C)cc5 -MOL_01_007380,C1CCCC1N2C(=C)C(=Cc(c23)c(C)nc(N)c3)c4cnc(CC)c(c4)NCC -MOL_01_007381,C1CC1n(c2=C)c(=C)c(c23)CCCN3CC(=C)Nc4ccc(nn4)-c5cccnc5 -MOL_01_007382,Clc1ccc(cc1)NC(=C)CCCn2c(CN)nc(c23)N(C)C(=C)N(C)C3=C -MOL_01_007383,Cc1c(C)cc(c12)nc(CCCN)n(c2N)-c3ccc(cc3)OCc4ccccc4 -MOL_01_007384,Cc1cccc(n12)c(C(=C)CN)c(C(=C)CN)c2C(=C)c3cc(CN)c(CN)c(c3)CN -MOL_01_007385,C=C(O)c1ccc(cc1)-c(n2)cc(n23)nc4c(c3=O)=C5C(=C4)CCCC5 -MOL_01_007386,Cc1ccc(nc1)C(=O)Nc2cc(c(C)cc2C)C3(C)CC(CC(=N3)N)c4c(C)noc4C -MOL_01_007387,CCNC(=O)Nc1ccc(cc1)-c2nc(N3CCCCC3)nc(c24)CC(C)(C)CN(C4=O)CC -MOL_01_007388,Cc1ccc(n12)C(CC)N(CC2)C(N)Cn(c3N)cnc(c34)cc(c4)C -MOL_01_007389,C1CC1CN(CC2CC2)C(=N3)N(C)C(=C)c(c34)c(cn4C)-c5c(N)cc(N)cc5N -MOL_01_007390,Cc1ncccc1-c(c2)ccc(c2C34CCC(=N3)N)Cc5c4cc(nc5)-c6ccccn6 -MOL_01_007391,C1CCC(N)=NC12c3c(c(F)cc(c3)CC)Cc4c2cc(cc4)NC(F)c5ccc(cn5)CN -MOL_01_007392,CCc1ccc(cc1)CC(O)CCCc2nnc(n23)n(CCCON)c(O)c4c3ccc4 -MOL_01_007393,CCNC(O)c1ncn(-c2cc(C(C)C)c(O)cc2O)c1-c3ccc(cc3)CN4CCCC(O)C4 -MOL_01_007394,C1CCNCCN1c2cc(OC)c(cc2)-c(n3)nc(c34)c(C)nn(c4O)C5CCCCC5 -MOL_01_007395,NCc1ccc(cc1CN)C2C(C(C)CCC)=C(C)Cc(c23)nc4c(c3N)CCCCC4 -MOL_01_007396,n1cncc(c12)c(cn2C(C)(CO)CO)C(O)c3cncc(c3)CC(O)Cc4ccc(Cl)cc4 -MOL_01_007397,NC1CCC(CC1)Nc(c2)ccc(n23)ncc3-c4cnc(nc4)Nc5ncccn5 -MOL_01_007398,CCCCNC(=N)Cn1c(=N)c(C(=N)NC)c(O)c(c12)ncc(c2)Cc3ccc(C)cc3 -MOL_01_007399,CNc(n1)nc(C)c(c12)C=C(c3ccc(CN)nc3)C(=C)N2CCC4CC4 -MOL_01_007400,CC(=O)C(C1=O)=C(C)C=C(C12C)Cc3c2c(CN)cc(CN)c3C(=O)N(C)C -MOL_01_007401,c1cccc(c12)c3c(c2)c(N)n(CCN(CC)CC)c(n3)CCC(N)NCc4ccccc4 -MOL_01_007402,NCC(=C)NC1CCN(C1)c(c(F)c2)nc(c23)N(C4CC4)C=C(C3=C)C(=C)C -MOL_01_007403,Clc1ccccc1-c(cn2)c(c23)nc(N)n(c3N)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_007404,COc1ccc(cc1)C(N)N(CCCN)C(CC)c(nc(c23)ccc3)n(c2N)Cc4ccccc4 -MOL_01_007405,CC(C)Cc(c1)c(CCC)cc(n12)ncc2-c3cc(N)nc(F)c3 -MOL_01_007406,Cc1cccc(c1)-n(c2N)c(CCC(C)N)nc(c23)c4c(c3)cccc4 -MOL_01_007407,c1cccc(c12)C(=N)c3n2ccc4c3nc5c4cccc5 -MOL_01_007408,CC(N)CCc(n(CC)c1N)nc(c12)cc3c2CCCC3 -MOL_01_007409,C=C(C)Nc1ccc(cc1)NC(=C)CCc(n2CC)nc(c23)N(C)C(=C)N(C)C3=C -MOL_01_007410,c1cccc(c12)CCN(C2)C(N)C(CC)n(c3N)nc(C)n(c34)c5c(c4)ccc5 -MOL_01_007411,Cc(c1)cc(c12)n(CC)c3c2cnn(c3N)CC(N)Nc4c(C)nn(C)c4C -MOL_01_007412,Nc1ncc(cc1)CCc2c(ncnc2C)N3CCN(CC3)C(N)C4CCC4 -MOL_01_007413,CC(O)C(N)Cn(c(O)nc1O)c(c12)cc3c2CCCC3 -MOL_01_007414,NCC(C(=C)C=1)=CC=C(C12)c3c(CCC2NC(=C)C)cc4c(c3CN)nc5c(n4)cccc5 -MOL_01_007415,c1cccc(OCC2)c1C23C(C(=N)CCCN(C)C)=NC(=C3)c4cc(F)ccc4F -MOL_01_007416,NOc1cccc(c1)Cn(c2N)cnc(c23)cc4c3CCC(C4)CCc5ccccn5 -MOL_01_007417,C1CNCCN1c(c2)c(C(=C)O)cc(c23)c(ncn3)NCCc4ccc(Cl)cc4 -MOL_01_007418,Clc1nnc(Cl)c(c12)N(C(=O)C2=O)Cc3nnnnc3Cl -MOL_01_007419,Nc1ncc(c12)n(C3CC3)c4c(c2N)cc(F)c(c4)-c(c5)ccc(c56)cncn6 -MOL_01_007420,NCCNc1ncnc(c12)cc3c2ncn(c3O)-c4ccc(CN)cc4 -MOL_01_007421,C1=CCC(C12)CC(Cl)=C2C(=N)c3cn(c(c34)nccc4)C5CCCCC5 -MOL_01_007422,CCC(CC)Nc(c1)ccc(n12)ncc2-c3ccnc(n3)C -MOL_01_007423,c1cccc(c12)CN=C(N2)c(c3C)c(=O)n(c(c34)cccc4)CCN5CCCC5 -MOL_01_007424,C1CCCC1Nc(n(CC)c2N)nc(c23)c(cc3)-c4ccc(cc4)C(N)CN -MOL_01_007425,c1cccnc1-c2nnc(n2CCC)CCC(=N)N(C(C)CC3)c(c34)ccc(F)c4 -MOL_01_007426,CCc1ccc(cc1)Cc2ncnc(c23)CC4=C(C(=O)NNN4)C3c5ccc(CC)c(c5)CC -MOL_01_007427,NCc1c(C)cc(cc1)C(=C)c2cn(C)c(c23)c(CN)c(CN)c(c3)CN -MOL_01_007428,C=C(C)CC(N)NC(CN)c1ccc(Cl)c(c1F)C(=C)c(n2)ccc(c23)CCC(N3)=C -MOL_01_007429,CCNc1ncnc(c12)cc3c2ncn(c3O)-c4ccc(CN)cc4 -MOL_01_007430,NCc(c1)cnc2=NC(=O)C(C3=c12)=Cc4c3cccc4 -MOL_01_007431,CCCc1cc(C(F)(F)F)nn1Cc(n2)cc(O)n(c23)c(c(c3)C)C(O)NCC -MOL_01_007432,O1COc(c12)ccc(c2)-c(c(c34)cccc4)c(C(F)=N)c(=N)n3Cc5ccc(ON)cc5 -MOL_01_007433,C1CCc(n12)nc3c(c2C)nc4c3cc(cc4)CN -MOL_01_007434,Fc1ccc(cc1)-n(cn2)c(O)c(c23)cc4c3c(ncn4)NC5CC5 -MOL_01_007435,C1CCCc(c12)c(N)c3c(n2)Cc4c(C3c5ccncc5)ccc6c4nccc6 -MOL_01_007436,CN1CCN(CC1)C(N)c2ccccc2-c(c3)ccc(c34)c5c(cnn5)c(N)n4CC(F)(F)F -MOL_01_007437,NCCCCn1c(O)c(ccc2)c2n(c13)c(nn3)CCCC(O)CCC4CCCC4 -MOL_01_007438,c1cnccc1-c2nnc(n2-c3ccccc3C)CCC(=O)c4cc(C)n(C)c4C -MOL_01_007439,Cn1cc(cn1)-c(c2)cc(F)c(c2C34CCC(=N3)N)Cc5c4cc(cc5)-c6cccnc6F -MOL_01_007440,CCCC(C)(C)n1cc(c(c12)cccc2)C(N)C(N)Nc3ccc(CC)nc3 -MOL_01_007441,CC(C)c(c1C)cc(c12)nc(CN)n(c2N)-c3ccc(CN)cc3 -MOL_01_007442,CCCCCn1cnc(c12)c(C)n3c(n2)nc(c3)-c4ccc(CN)cc4CN -MOL_01_007443,C=C1N(C)C(=C)N(C)c(c12)ncn2CC(=C)CCc3cn(cn3)CCC(=C)NC4CCCCC4 -MOL_01_007444,C1CCCCCN1C(=C)CN(C2=C)N=C(C)n(c23)c4c(c3)c(CN)ccc4 -MOL_01_007445,c1c(F)ccc(C(=C)N(C)C2)c1C(C)Cc(c3)c(N)ncc3c(c24)c(C)nn4C -MOL_01_007446,CCc1cccc(c1)-n2c(N)cc(=O)nc2CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_007447,c1ccccc1CC(CN)(N(C2)C(=O)N)c(cccc3)c3n(c24)cnc4 -MOL_01_007448,c1cc(Cl)cc(c12)C(C)=C(C(=C)N2CCC(N)N)C(C3)=NCc(c34)cccc4 -MOL_01_007449,c1cccc(c12)c(cn2C(N)N)C(O)C(O)Nc3ccc(C(F)(F)F)nc3 -MOL_01_007450,c1nccnc1C(=C)Nc2ccc(c(C)c2)C(=C)Nc3cnn(c3N)Cc4ccc(CC)cc4 -MOL_01_007451,CCCC(C)(C)n1cc(c(c12)cccc2)C(O)C(O)Nc3ccc(CC)nc3 -MOL_01_007452,c1cccc(c12)n3c(c(n2)C)c(c(C(=N)N)c3CCC)-c4ccccc4 -MOL_01_007453,CCCC(N)Cc1cccc(c1)-c2cc(-c3ccc(F)cc3O)nc(c2CN)CC(N)c4ccco4 -MOL_01_007454,NCc(c1)c(CN)cc(c12)ncnc2N3CCC(C3)Cc(nc4)cc(c45)cccc5 -MOL_01_007455,Cc1cccc(c12)n(c(n2)C)-c3cccc(c3)Nc4cccc(c4)C(N)(N)C(C)C -MOL_01_007456,NC(=N1)CCCC12c3c(Cc4c2cc(Cl)nc4)ccc(c3)NC(=O)c5ccc(Cl)cn5 -MOL_01_007457,COc(c1)ccc(c12)c(C(=N)N)cn2CC(=N)N3CC(C)CC3C(=N)NCc4cccc(Cl)c4C -MOL_01_007458,Fc1cc(ccc1)C2N(C(=O)C)N(O)C(=O)C2c3ccccn3 -MOL_01_007459,Clc1cnc(cc1)C(=C)Nc(c2)ccc(c2C34CCC(=N3)N)Cc5c4cc(CC)nc5 -MOL_01_007460,CC(C1)Cc2ccc(Cl)c(c2n13)c(=N)c(c3)C(=N)Nc4cc(CN)ccc4CN -MOL_01_007461,COc1cncc(c1)-c2cnc(c(c23)nc(N)c(c3)C)CC4CCCCC4OCC5CCOCC5 -MOL_01_007462,Nc1cccc(c1)C2CC(N)Cn(c23)c4c(c3N)cccc4 -MOL_01_007463,Cc1ccc(cc1)-n2c(N)cc(=O)nc2CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_007464,CCOC(N)c1ccccc1NC(N)c(c2C)cc(c23)ncn(c3N)Cc4cccc(F)c4 -MOL_01_007465,COc1ccc(cc1)-c2ncc(c23)ncn(c3N)-c4ccc(cc4)C(N)Nc5ccccc5 -MOL_01_007466,C1N=CN(C12)C(=C(N2)C)Cc3cn(c(c34)nccc4)C5CCCNC5 -MOL_01_007467,NCc1c(N)n(C)c(c12)C(C)c3c(C2C)cccn3 -MOL_01_007468,O=C(C)c(c1=O)cn(C2NN2)c(c13)cc(c(F)c3N)C4CNC(C)C4 -MOL_01_007469,c1cccc(c12)c3c(c(=O)n2C)C(C(=C(C3)C)CN)c4ccccc4 -MOL_01_007470,Cc1cccc(c1C)CCc(cc(=O)n(c23)C(CC3)C(=O)O)c2-c4cccnc4 -MOL_01_007471,CCCN1CCC(CC1)c(n2)cn(c23)cc(cc3)-c4cccc(c4)CN -MOL_01_007472,C=C(C)C(C1=C)=CN(C2CC2)c(c13)nc(c(F)c3)N4CCC(C4)C(C)N -MOL_01_007473,C1CCCN1C(=C2C(=C)CN)C(C23C(=C)CN)c4c(C3)cccc4 -MOL_01_007474,Nc1cnc(cn1)-c(c2C3(C45C678)C47C358)ccc(c2)c9c(cccc9)Oc1ccnc6c1 -MOL_01_007475,C=C1N(C)C(=C)N(C)C(N)=C1C(=C)CCc(nc(c23)cccc3)n2-c4ccc(CN)cc4 -MOL_01_007476,C=C(O)c1ccc(cc1)-c(n2)cn(c23)c(C)c4c(n3)n(cn4)CCCCC -MOL_01_007477,c1ccc(c12)c(O)n(C)c3n2c(nn3)CCC(O)Cc4ccc(cc4)CCN -MOL_01_007478,NOc1ccc(cc1)-c2c(NO)c(NO)c(n23)Cc4c(C3)cccc4 -MOL_01_007479,CCCCCn1cnc(c12)c(C)n3c(n2)nc(c3)-c4ccccc4CN -MOL_01_007480,Cc(n1)cc(C)c(c12)c3c(c2)c(N)n(cn3)CC(N)c4ccccc4 -MOL_01_007481,NCc1ccc(CN)cc1CNC(=C)CN(C2=C)N=C(C)c(c23)nn(c3C)-c4ccc(C)cc4 -MOL_01_007482,C=C(C)C(C1=C)=CN(C(C)(C)C)c(c12)nc(c(F)c2)N3CC(N)CC3C -MOL_01_007483,c12n3c(cc2)CCc4c3c(c(N)c1C(C)N)cc(F)c4N5CCCC5 -MOL_01_007484,c1ccnc(c12)OCC(O2)COc(cc3=O)cc(n34)c5c(NC4)cc(cc5)-c6cccnc6 -MOL_01_007485,Nc1cccc(c1)-c(c(F)c2)cc(c23)n(C4CC4)c5c(c3N)c(N)nc5 -MOL_01_007486,CCCC(N)C(C1)CCc(c12)c3c(c2)ncn(c3N)Cc4ccc(F)cc4 -MOL_01_007487,n1ccc(c12)c(cn(C)c2N)-c3cc(C(N)CCC(C)(C)O)ccc3Oc4ccc(F)cc4F -MOL_01_007488,c1ccccc1N(C(N=2)=N)C(C23)=c4c(=CC3=N)ccc(c4)-c5ccc(O)cc5 -MOL_01_007489,C=C(C)NCC1CC(=C)N(C12)c3c(CC2)cc(cc3)-c4ccc(nc4)-n5ccnc5 -MOL_01_007490,CC(C)(C1)CCc(c12)cc3n2[n+]([O-])cc(n3)-c4nnnnn4 -MOL_01_007491,c1ccccc1CN(C(=C)N2C)C(=C)c(c23)n(C)c(n3)NCCCCN -MOL_01_007492,CC(O)NCCNc1nc(-c2ccccn2)nc(c13)n(C)cc3C -MOL_01_007493,c1cccnc1C(O)CN(C)Cc(c2C)cc(c23)c(O)c(cn3C)C(O)NCc4ccc(Cl)cc4 -MOL_01_007494,CN1CCCCC1CCc2cc(ncc2CN)CC(=O)N3CCCc(c34)cc(c(n4)C=O)CO -MOL_01_007495,N1=CN(C)C(=C)c(c12)c(NCCCN)nc(c2)-c3ccc(c(c3)CC)NCCN4CCCCC4 -MOL_01_007496,Cc1ccc(cc1)-c2cc(CN)c(NCC(N)N)nc2-c3ccc(C)cc3C -MOL_01_007497,C=C(O)c1ccccc1C2=NC=c(c23)ccc=4c3N=C(C4)NC(O)c5ccc(CC)cc5 -MOL_01_007498,COc1ccccc1N2CCN(CC2)CCn(c3N)c(N)nc(c34)nc(c4)-c5ccccc5Cl -MOL_01_007499,C=C(N1)CCc(c12)ccc(n2)CNC3CCC(CC3)C(N)CN4C(=C)C=Cc(c45)ncc(n5)CC -MOL_01_007500,Cc1ccc(cc1)CCc(n2)nnc(c23)c4c(cccc4)N=C(N3)c5ccccc5NCC(N)N -MOL_01_007501,Cc1ccccc1-n(c2O)cc(c(c23)nnc3N)-c4ccn(n4)C -MOL_01_007502,c1cc(F)cc(c12)C(O)C(O)N2Cc3cncn3CCCNc4ccnc(c45)cc(Cl)cc5 -MOL_01_007503,c1ccccc1Cn2c(C)c(cc2C)C(N)Cn(c3N)cnc(c34)c5c(c4)cccc5 -MOL_01_007504,NCc1cc(CN)ccc1CN(CC2N)C(=C)c(n23)nc4c3nccc4 -MOL_01_007505,NC(N=1)=Cc(c12)c(C(F)(F)F)c=3c(c2Cl)N=C(C3)N -MOL_01_007506,C12CCN(CC1)CC2(N)c3ccc(cc3)-c(c4)cnc(c45)cccc5 -MOL_01_007507,Cc(n1)nc(C)c(c12)C(=O)CC(C2)c3ccc(F)cc3-c4cncc(n4)CN -MOL_01_007508,C=1C=Cc(c12)c3c(nc2=C)c(N)cc(C)c3-c4ccc(c(C)c4)C(N)CN -MOL_01_007509,Clc1ccc(cc1)-c(cn2)c(c23)nc(N)n(c3N)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_007510,NCC(=C)N(C1)CC(=C)c(c12)c(N)nn2-c3ccc(C(=C)C)c(c3)CCCCCN -MOL_01_007511,C=C(N)C(C)(C)Cc(nc1)cc(c12)CCCn3c2nc(c3)-c4ncnn4C(C)C -MOL_01_007512,COc1ccccc1C(C=2)=NC(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5OC -MOL_01_007513,c1cccc(c12)n3c(c2N)C(CC(C3)N)c4ccc(Cl)cc4 -MOL_01_007514,Fc1cc(F)c(F)cc1CC(N)CC(N)N(C2)CCn(c23)cnc3-c4ccccn4 -MOL_01_007515,C=C1CN(C(N)N)CCN1c2ccc(cn2)-c(c3)ccc(c34)N5C(CC4)C(CC)CC5=C -MOL_01_007516,CNC(=O)C1CCN(CC1)c2ccc(c(c2)ON)C(N=3)=NC(=O)C(C34)=C(N=C4)C5CCCCC5 -MOL_01_007517,ClCCN(C=N1)C(=C)n(c12)cnc2C(=C)Nc3ccc(cc3)-c4cc(C)nc(n4)N -MOL_01_007518,CCCCCn1cc(c(N)c(c12)c(C)nc2)C(N)NC34CC5CC(C3)CC(C5)C4 -MOL_01_007519,N=C(C1)NC(=N)C12c3c(C(=N)N2C)cc4c(c3)cccc4 -MOL_01_007520,Cc1ccc(cc1)-c(c2)ccc(c23)n(C)cc3C(=N)C(=N)N4CCCCC4 -MOL_01_007521,c12ccc(C)c(n1)n3c4c(nc3N)nccc4NCCCCN2 -MOL_01_007522,CC(C)Cn(c1N)cnc(c12)cc(C)c2C(N)Nc3cc(F)ccc3F -MOL_01_007523,Cc1cccc(n1)-c(c2)ccc(c2C34CCC(=N3)N)Cc5c4cc(Cl)nc5 -MOL_01_007524,Fc1cccnc1Nc2ncc(cn2)-c3cnc(n34)ccc(c4)NCCN5CCCC5 -MOL_01_007525,NCCC(=C)NC(C)CNc1nc(cc(c12)N=CN(C)C2=C)-c3ccc(CN)c(c3)CN -MOL_01_007526,N1=CN(C)C(=C)c(c12)c(NC3CC3)nc(c2)-c4ccc(c(c4)CC)NCCCN -MOL_01_007527,CC(O)Nc1cc(ccc1Cl)NC(C)(C)C(O)NC(C=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=N4 -MOL_01_007528,Cc1ccc(cc1)C2(O)Cc(c3n(c24)c(=O)on4)cccc3 -MOL_01_007529,CNN1CC(N(C)N1C)n2cnc(c23)c(ncn3)NCc4cccc(c45)cccc5 -MOL_01_007530,C=C1C(O)=CC(=CN1C)N(C(=C)c(c23)nn(c3)C)C2c4ccc(C)cc4 -MOL_01_007531,Clc(c1)ccc(c12)c(cn2C)C(N)C(N)Cc3ccc(cc3)-n4cccc4 -MOL_01_007532,N=c1n(C)cc(cc1C)C(C(=N)c(c23)nn(c3)C)C2c4ccc(Cl)cc4 -MOL_01_007533,C1CCCC1c(c(c(=O)n2C)C(=O)CCC)c(c23)ccc(n3)C -MOL_01_007534,Cn1ccc(c1C)CNC(=O)c2ccn(c23)C(C(F)(F)F)CC(N3)c4ccccc4 -MOL_01_007535,CN1CCN(CC1)CCCc(c(c2)CC(C)(C)C)cc(n23)ncc3-c4cc(N)nc(Cl)c4 -MOL_01_007536,NCc1ccc(cc1)-c2cc(CCC3CCNCC3)cnc2-c4ccc(F)c(F)c4 -MOL_01_007537,c1cccc(c12)c3c(c2)c(N)n(CCCOC(C)C)c(n3)CCC(N)Cc4ccc(F)cc4 -MOL_01_007538,c1ccc(c12)cc3n2c(C)nn(c3N)C(CC)C(N)N4CCN(CC4)c5cc(C)ccc5C -MOL_01_007539,C=C(O)c1ccc(Cl)c(c12)nc(c(c2O)C(O)CN)Cc3cc(Cl)cc(Cl)c3 -MOL_01_007540,Cn1cnc(c1)-c(c2)ccc(n23)nnc3CCc4ccnc(c45)cc(cc5)CN -MOL_01_007541,c1cccc(c12)c(cn2C)C3(O)C(=N)Cc(c34)cccc4 -MOL_01_007542,N1=CN(C)C(=C)c(c12)c(NC(C)C)nc(c2)-c3ccc(nc3)CCC -MOL_01_007543,N1=NC1(C)CCc2c(c(Cl)nc(n23)ncn3)-c4c(F)cc(F)cc4F -MOL_01_007544,CNC(=O)C1CCN(CC1)c2ccc(c(c2)OC)C(N=3)=NC(=O)C(C34)=C(N=C4)C5CCCCC5 -MOL_01_007545,C1CN(C)C(C12N)N(C)c3c2cc(cc3)CC(=N)Nc4ccccc4Cl -MOL_01_007546,COc1c(OC)cc(cc1OC)C(O)Cc2cccc(c2)-c(n3)cn(c34)ccc(c4)C -MOL_01_007547,c1cccc(c12)n(cc2C(C)=N)CC(=N)N(CC3(C)C)C(C3)C(=N)NCc4cccc(Cl)c4C -MOL_01_007548,CN1C(=C)N(C)C(=C)c(c12)n(CCN)c(n2)CCCCN -MOL_01_007549,c1cccnc1C2Cc(c3N=C(C2=4)CC(C)(C)CC4O)ccc(c3)C(N)c5ccccc5 -MOL_01_007550,CCCCN1C(=C)N(CCCC)C(=C)c(c12)cn(n2)Cc3ccccc3CN -MOL_01_007551,CCCCCn1cnc(c12)c(C)n3c(n2)nc(c3)-c4ccc(C)cc4 -MOL_01_007552,NCc1cc(CN)ccc1N(C2=C)C(=Nc(c23)ccc(c3)C(=C)C)CN4CCN(CC4)c5ccccn5 -MOL_01_007553,CC(C)c1ccnc(c12)cc3c2ncn(c3N)C4CCC4 -MOL_01_007554,c1ccccc1C=2C(C(=N)OC)=Nc(c23)ccc4c3=Cc5c4cccc5 -MOL_01_007555,c1ccccc1-c2coc(c2)C(CC)NC3=C(O)C(O)=C3Nc4cccc(c4C)C(O)N(C)C -MOL_01_007556,Cc(c1)ccc(c12)N3C(C2(N)N)=CC(C)=C(C3=C)c4ccccc4 -MOL_01_007557,COc1ccc(cc1)C(=O)C2=C(O)C(=O)C(c3ccccn3)C2c4cccc(Cl)c4 -MOL_01_007558,CN1C(=C)N(C)C(=C)c(c12)n(C)c(n2)NCCc3ccc(CN)c(c3)CN -MOL_01_007559,c1cccc(c12)nc3c(n2)c(c(C)n3CCCN)C(O)NCC4CCCC4 -MOL_01_007560,CCCCCn1cnc(c12)c(C)n3c(n2)nc(c3)-c4ccc(CN)cc4 -MOL_01_007561,NCc1cnc(cc1)NC(=C)C(CCCCC)Cc2ncnc(c23)n(nc3)-c4ncccc4Cl -MOL_01_007562,NCc1cccc(c1)-n(c2O)c(CCC(N)O)nc(c23)c4c(c3)cccc4 -MOL_01_007563,O=C1C(=C)CCc(c12)c3c(cn2)n(cc3)Cc4ccc(F)cc4CN -MOL_01_007564,C1CCCc(c12)n3c(c2)nc(cc3N)COC(N)c4cccc(c4)CC(N)c5ccccc5F -MOL_01_007565,COc(c1)ccc(c12)c(N)c(C(N)O)c(n2)-c(c3)ccc(c34)OCO4 -MOL_01_007566,NOc1cc(ccc1)C(n(c23)ncn3)C(=C(C)C2)C(N)CCc4ccccc4 -MOL_01_007567,c1ccccc1-c(c2)n(c(n23)cc(n3)N)CC(=O)c4ccccc4 -MOL_01_007568,N1CN(N)Cc2c1n(c(c23)ccc(C)c3)CC(O)c4ccccc4 -MOL_01_007569,NCCc1ccc(cc1)C2=CCC(=C)N2C3=C(N)N(C)N(C3=C)c4ccccc4 -MOL_01_007570,OCCCNC(=N)C(C)(C)NC(=N)c(cc(c12)CCCCCC2)c(=N)n1CC3CCCCC3 -MOL_01_007571,c1ccccc1N(C)C(CC2C(=C)CN)=NC23c4c(cccc4)Nc5c3cccc5 -MOL_01_007572,CCCC(O)c1c(N)nn(C(O)c2ccccc2F)c1-c3ccc(CC)cc3 -MOL_01_007573,Cc1ncnc(c12)n(C(C)C)cc2-c3ccc(F)c(c3)CN -MOL_01_007574,Cc1cc(CN)cnc1C(=O)Nc2cc(C)c(C)c(c2)C3(N(C)C)COCC(=N3)N -MOL_01_007575,C1CN(C)C(=O)C1(C)CCc(c2)ccc(c23)CCC(F)(F)c4n3nc(c4)C(=O)N -MOL_01_007576,C1CN=C(C12N)N(C(=O)N)c3c2cccc3 -MOL_01_007577,c1cc(N)ccc1C(=C(C23)C(=O)N=C(N=2)N)C(=N3)c4ccc(N)cc4 -MOL_01_007578,c1ccccc1-c2cn(c(c23)ncnc3C)C(NO)CCc4ccccc4 -MOL_01_007579,C=1C=CC(C12)=c3c(=NC2=O)c(C)cc(O)c3-c4ccc(cc4)CCN -MOL_01_007580,CC(C)Cn(c1N)cnc(c12)cc(C)c2C(N)CCc3ccccc3 -MOL_01_007581,CC(=O)c1c(C=C(N2)C)c=2c(N)c(c1=3)N=C(C3)C -MOL_01_007582,C1CCCC12CCN(CC2)c3ncnc(CC)c3CCc4ccc(N)nc4 -MOL_01_007583,CCc1ncnc(N2CCCCC2)c1CCc3ccc(NC)nc3 -MOL_01_007584,CC(=O)Nc(n1)cn(c12)cc(cc2)-c3cnc(C)c(n3)CC(C)C -MOL_01_007585,CCc1ncnc(N2CCCCC2)c1CCc3ccc(N)nc3 -MOL_01_007586,c1cccc(c12)c3c(c2)c(N)n(CCCOC)c(n3)CCC(N)Nc4ccccc4OC -MOL_01_007587,Fc1cc(ccc1)CNC(=C)c(c2C)nc(c(c23)cccn3)N4C=CCCC4 -MOL_01_007588,Cn1ncnc1CCc(c2-c3ccc(F)cc3)nn(c24)c(nnc4)-c5ccccc5F -MOL_01_007589,NCCC1CCN(CC1)c2ncnc(CC)c2CCc3ccc(N)nc3 -MOL_01_007590,Fc1ccc(cc1F)CC(=N)Cn(c(c23)nccc3)n(c2=N)-c4ccccc4 -MOL_01_007591,NN(N)NC(C(=C)C)CC(=C)c1cn(-c2ccncc2)c(n1)-c3c(CC)cccc3CC -MOL_01_007592,Clc1ccc(cc1)-c2c(CN)c(N3CCC(C(N)N)CC3)nc(n2)CCc4ccccc4 -MOL_01_007593,CCc1ncnc(N2CCC(CN)CC2)c1CCc3ccc(NC)nc3 -MOL_01_007594,NOc1ccc(Cl)c(c1)-c2cc(c3c(c24)CCC4N)cnc(n3)Nc5ccc(F)cc5 -MOL_01_007595,c1cccc(c12)nc(N)c(c2CC(C)N)-c3ccccc3 -MOL_01_007596,C=C(O)c1ccccc1-c2ccnc(c23)C(O)c4c(C3O)c(ccn4)CC -MOL_01_007597,C1CC1N2C(=C)N(C)c(c23)cnc4c3cc(cc4)-c5cnc(CN)c(c5)NCC6CC6 -MOL_01_007598,CC(=O)NCC1CC(=O)N(C12)c3c(CC2)cc(cc3)-c4cccnc4 -MOL_01_007599,CCc1ccccc1N(C2)CCC(N23)=C(CN)C(CC3=O)c4ccccc4F -MOL_01_007600,CCC(N)c1ccc(cc1)Cn(c2N)cnc(c23)cc4c3CCC(C4)C -MOL_01_007601,COCCCC(N)c1cc(n(n1)-c2ccccc2)CC(N)c3cc(c(F)cc3Cl)-c4ccccn4 -MOL_01_007602,Cc(n1)ccc(c12)c(ccc2)N3CCN(CC3)CCc4cccc(c45)n6c(CC5)c(nn6)C -MOL_01_007603,c1cccc(c12)c3c(n2)c(C)n(C)c(n3)CCC(O)NCC4CCCC4 -MOL_01_007604,Cc1ccc(cc1)Cn2c(=N)c(c(O)c(c23)cccn3)C(=N)NC4CCCCC4 -MOL_01_007605,Cc(c1)c(C)cc(c12)NC(O)C(c3n2ccn3)N4CCCNCC4 -MOL_01_007606,COc(cc1)cc(c12)nc(c(c2N)C(N)OCC)-c3cccc(c3)OC -MOL_01_007607,Cc1cnc(cn1)NC(=C)C(CCC2CCC2)Cc3ncnc(c34)n(nc4)-c5ncccc5Cl -MOL_01_007608,c1ccccc1N(C2=N)C(=N)C(CN3C)C2C34C(=N)c5c(C4=N)cccc5 -MOL_01_007609,N1=CN(C)C(=C)c(c12)c(NC3CC3)nc(c2)-c4ccc(F)c(c4)CC -MOL_01_007610,NCc(c1)cccc1CN2C(=C)C(c(cc3)ccc3CN)=Nc(c24)cnc(n4)N5CCCCC5 -MOL_01_007611,C1OCCc(c12)nc(nc2N)CN(CC3CC3)C(N)CN(CC4)CCC45Cc6c(C5N)ccc(F)c6 -MOL_01_007612,c1cc(N)cc(c12)CC(N)=C(CN)C2c(c(Cl)n3)cc(c34)cc5c(c4)CCC5 -MOL_01_007613,CC(C)OCCCCC(N)c1c(c2nc(c13)cccc3)CN(C2N)C4CCCCC4 -MOL_01_007614,C1COCCN1CC2=C(C(N)ON)C(c3ccc(F)cc3Cl)N=C(C2)c4ccccn4 -MOL_01_007615,NCc1ccn(c12)c(cc(n2)N)-c3ccccc3 -MOL_01_007616,NOc(cc1)ccc1C=2C(c(cc3)ccc3ON)=NOC(C24)=c5c(=NC4)cccc5 -MOL_01_007617,Cc1cccc(c1)CC(=O)NC(C)C(=O)NC(C(=O)CC(C)(C)C)Cc2ccccc2 -MOL_01_007618,c1ccccc1CC(=C)C(=C(C)N=C(C2=3)NNNC3C)C2c(c4)ccc(c45)CCC5 -MOL_01_007619,CCc1ncnc(N(CC2)CCC2(C)C)c1CCc3ccc(N)nc3 -MOL_01_007620,c1ccccc1C(O)CNCc(c2C)cc(c23)c(N)c(cn3C)C(N)NCc4ccc(Cl)cc4 -MOL_01_007621,c1cccc(c12)c(cc(n2)C)C(N)CCC(N)Cc3cccnc3Cl -MOL_01_007622,C1CCc(c12)c3c(nc2N)n(C)cc3-c4ccccc4 -MOL_01_007623,C=C(N=1)C=c(c12)cc(cn2)CCC3(NC(=C)NC3=C)CN(C4=C)Cc(c45)ccc(c5)CC -MOL_01_007624,c1cccc(c12)n(cc2C(C)O)CC(O)N3CCC(C(O)O)CC3 -MOL_01_007625,NCC(=C)C1CC(CN1)Cc2cccc(c23)ccc(n3)-c4nnc(n45)cccc5 -MOL_01_007626,NCc(n1)cc(C)c(c12)C(C)C(=O)c3c(C2CC)nccc3 -MOL_01_007627,COc1ncc(cc1N)-c(c2)ccc(c23)nccc3CCCN(C)C -MOL_01_007628,COc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)N=C(C4)c5ccccc5C -MOL_01_007629,NCCc1ccc(cc1)-n2cnc(c2)-c3cccc(c34)c(N)cc(n4)N5CCOCC5 -MOL_01_007630,Cc1cccc(C)c1C(N=2)=NC(C23)=c4c(=NC3=O)cc(cc4)-c5ccc(N)cc5 -MOL_01_007631,c1ccnc(c12)ccc(c2)C(C)n3cnc(c34)ccn(c4=N)-c5cnn(C)c5 -MOL_01_007632,CCNC(O)Nc(n1)cc(c12)n(C(C)C)c(O)c(c2)-c3cncc(F)c3 -MOL_01_007633,Cc1ccc(c(c1)CN)C(N=2)=NC(=O)C(C23)=C(N=C3)c4c(F)cccc4Cl -MOL_01_007634,Cn1cc(cn1)C(Cl)N(CC2)CCc(n23)nc4c(c3Cl)cc(c4)N -MOL_01_007635,Cc1cc(N)cc(c12)ncnc2Nc3ccc(F)cc3CC(C)C(=O)N4CCC4 -MOL_01_007636,Cc1ccc(Cl)cc1-c2ccc(n23)nc4c(c3=O)=C(N=N4)N -MOL_01_007637,NC(=O)c1cnc(cc1)-c2cc(C(=O)C)cc(c2)-n3cnc(c3)-c4ccc(C(F)(F)F)cc4 -MOL_01_007638,Fc(c1)ccc(c12)cc(o2)-c(n3)c(C(C)C4CC4)nc(c35)cc(cc5)C(N)O -MOL_01_007639,NCCCNC(O)c(c1C)cc(c12)ncn(c2O)CC(O)N3CCCCC3 -MOL_01_007640,C=C(C)C(C1=C)=CN2C(C)CCc(c2c13)c(c(F)c3N)NCCNc4ccccn4 -MOL_01_007641,c1ccncc1C(=C)NC2=Nc(c3C(N24)=NCC4)c(CN)c(cc3)CCC(C)CN5CCCCC5 -MOL_01_007642,CC(=O)C(C1=O)=C(C)C=C(C12C)Cc3c2c(C)cc(C)c3C(=O)C -MOL_01_007643,CC(C)NC(O)c1nn(c(O)c(c12)c(N)cc2)-c3ccc(cc3)CCCCF -MOL_01_007644,CCc1cc(CN)cnc1C(=O)Nc2ccc(Cl)c(c2)C3(C)C=C(CCl)CC(=N3)N -MOL_01_007645,CC(=O)c1cccnc1N(CN2)CNC23c4c(N(C3=O)C)cccc4 -MOL_01_007646,c1cnc(c12)c(C)n(C)cc2-c3cc(CN)cnc3Cc4ccc(F)cc4F -MOL_01_007647,CC(N)c(c1N)cn(C2CC2)c(c13)c4c(c(F)c3)c5c(n4)cccc5 -MOL_01_007648,O=C(N1)CCc(c12)ccc(c2)-c3c(N)nn(C)c3-c4ccc(F)cc4F -MOL_01_007649,c1cccc(c12)nc3c(n2)c(c(C)n3CCOC)C(N)OCc4ccccc4 -MOL_01_007650,CCN(CC)CCNCCCOc1ccc(cc1)-c2c(OC)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_007651,c1cncn1-c2ccc(nc2C)CC(=O)N(C3)CCN(C34)CC(CC4)c5ccc(F)c(NN)c5C -MOL_01_007652,Cc1ccc(cc1C)NC(C)(C)C(=O)NC(C=2)=Nc(c23)c(C(C)(C)C)cc4c3=CN=N4 -MOL_01_007653,Fc1ccc(cc1F)NC(C)(C)C(=N)NC(C=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=N4 -MOL_01_007654,c1ccccc1NC(N)c(c2C)cc(c23)ncn(c3N)CC(N)N4CCCCC4 -MOL_01_007655,Cc1ccc(Cl)c(c1C)Nc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_007656,NCc1c(CN)c(CN)ccc1C(=C)CC2(C)C(=C)Nc(c23)c(Cl)ccc3Cl -MOL_01_007657,CCCCNc1nccc(n1)C(CC2(C)C)=C(C2=O)c3cc(Cl)cc(N)c3F -MOL_01_007658,C=C(N)N1CCN(CC1)Cc2ccc(CCC)c(c2)-c(n3)nc(C)c(c34)n(C)nc4CCC -MOL_01_007659,CN(C)C(=O)c1cc(ccc1Cl)NC2(CC2)C(=O)NC(C=3)=Nc(c34)ccc5c4=CN=N5 -MOL_01_007660,Cc1cccc(c1)-n2c(N)cc(=O)nc2CCC(=O)Nc3ccccc3 -MOL_01_007661,CCNc(c1)ccc(c12)C(c3ccc(C)cc3)c4c(N2)ncn5c4nc(n5)CCN -MOL_01_007662,CN1CCN(CC1)C(=O)C(=C2C)C=C(C2=3)c4c(C(N3)=O)cccc4 -MOL_01_007663,c1ccccc1C(N)c(c2)ccc(c23)nc4n3C(C=C4)c5c(F)cccc5F -MOL_01_007664,COc1cccc(c12)nc(c(c2N)C(N)OCC)-c3cccc(C)c3 -MOL_01_007665,Nc(n1)cc(N)c(c12)c(ncn2)NCCC34N(CCC3)CCC4 -MOL_01_007666,COc(c1)ccc(c12)cc(cc2)CNC(Cc3ccc(CN)cc3)C(=O)N(C)C4CCCC4 -MOL_01_007667,c1cccc(c12)nc3n2c(c4c(c3CN)CCC4)Cc5ccc(ON)cc5 -MOL_01_007668,c1cccc(c12)CC(C(=O)N2CCCC)NC(=O)C(N=3)=CC(C34)=CC(Cl)=C4 -MOL_01_007669,Cc1nccc(c12)n(CO)c3c(c2O)c4c(n3)ccc(c4)CN -MOL_01_007670,C1CC1NC(=N)CCc(nc(c23)cccc3)n(c2=N)-c4ccccc4N -MOL_01_007671,c1ccccc1CNC(=O)CCc(c2N)c(N)nc(c23)n(nc3N)-c4ccccc4 -MOL_01_007672,NCc(c1C)c(C)nc(c12)N(C(C2)O)c3ccc(Cl)cc3 -MOL_01_007673,Cc1cccc(c1C)C2(O)CCN(CC2)C(=O)c3ccc(cc3)NCc4cccc(c45)c(O)ncn5 -MOL_01_007674,CCC(C1C)=C(N)C(C)c(c12)nc(cc2)-c3nc(C(C)C)c(C)cc3N -MOL_01_007675,CCCC(O)c1ccc(NC2CCCC2)c(c1)-c3cn(C)c(O)c(c34)ncc4 -MOL_01_007676,Cc1ccccc1C(C2=N)C(=N)c(c23)c(C)nc4c3cc(cc4)CN5CCCCC5 -MOL_01_007677,c1cccc(c12)c3c(n2)c(n(C)cc3)C(N)c4ccccc4F -MOL_01_007678,CC(=N1)OC(CF)=CC1(C)c2cc(ccc2F)CC(O)c3ncc(CN)cc3ON -MOL_01_007679,Cc1cccc(c1)-c2ncn(c23)c4c(cccc4)c(n3)NCc5cccc(c5)ON -MOL_01_007680,c1cccc(c12)c(cn2C)C3CC(c4ccccc4)=CN3C(=N)c5ccncc5 -MOL_01_007681,c1ccc(c12)nc(n(c2N)CCCC)CCC(N)N3CCN(CC3)c4ccccc4 -MOL_01_007682,CC(=N)c1ccccc1-c(c2)ccc(c23)C(=N)Nc4c(N3)cccc4 -MOL_01_007683,CNN1CC(N(C)N1C)n2cc(O)c(c23)c(O)nc(n3)C -MOL_01_007684,CNc1ccc(cc1)CN2CCC(CC2)C(N)c3cccc(Cl)c3 -MOL_01_007685,n1ncc(c12)c(N)n(CC(F)(F)F)c3c2ccc(c3)-c4ncc(Cl)cc4Cl -MOL_01_007686,N1=CN(C)C(=C)c(c12)c(NC(C)C)nc(c2)-c3cnc(nc3)N4CCCCC4 -MOL_01_007687,c1ccccc1C(N)c(c2)ccc(c23)CC(c4ccco4)C=5C(=N3)CCCC5O -MOL_01_007688,CCc(n1)ccc(c12)ncc(F)c2CC(N)C3CCC(CC3)NCc(n4)ccc(c45)CCC(N5)O -MOL_01_007689,C1CCc(c12)nc(nc2NC)NC(C(N)N)C(NC)(c3ccccc3)c4ccccc4 -MOL_01_007690,NC(=O)Oc(cc1)cc(c12)c3c(n2C)c4c(CN3)cccc4 -MOL_01_007691,CC(C)(C)Nc(n1)c(C)nc(c12)cccc2C(C=3)=NC(C34)=NC=NC4=O -MOL_01_007692,Cc1ccnc(c1)N2C=NN(C2=C)CC(C)(Cn3cncn3)c4ccc(F)cc4F -MOL_01_007693,CCn1c(C)c(CN)c(c12)C(O)c3c(C2O)nccc3 -MOL_01_007694,c1cccc(c12)CC(C(=O)N2CC(=O)CC)CC(=O)C(N=3)=CC(C34)=CC(Cl)=C4 -MOL_01_007695,NCc1c(CN)cccc1C(c(c23)cc(Cl)cc2)CC(c4n3ccc4)CC(=C)NCC(=C)C -MOL_01_007696,c1cccc(c12)C(=N)N(C3CC3)C2c4nccn4-c5c(N)cccc5N -MOL_01_007697,C=1C=CC(C12)=c3c(=NC2=O)ccc(C)c3-c4ccc(c(F)c4)C(C)CN -MOL_01_007698,c1ccccc1C2N(CCN(CC)CC)C(=N)c(c23)oc4c(c3=N)cccc4 -MOL_01_007699,N1=NC(N)C(N)c(c12)c3c(n2)c(C)c4c(c3C)cn(C)cc4 -MOL_01_007700,Nc1ncc(cn1)C(=C)NC2=Nc(c3C(N24)=NCC4)c(CN)c(cc3)CCC(C)CN(C)C -MOL_01_007701,C1CCCC1c(c(c23)cccn3)c(c(=O)n2C)C(=O)CCC -MOL_01_007702,O=c1onc(n12)C(O)(CN=C2C)c3cccc(C)c3 -MOL_01_007703,Fc1ccc(cc1)-c2ncn(c23)CCN(C3)C(=N)CC(N)Cc4cc(F)c(F)cc4F -MOL_01_007704,FC(F)(F)c1cc(ccc1Cl)C(NC23)=C(C(=O)CC)C(NN2)N3C(=O)NCNCCC(C)C -MOL_01_007705,CNC(=O)C1CC1c2cc(CC)c(cc2)C(N=3)=NC(=O)C(C34)=C(N=C4)C5CCCCC5 -MOL_01_007706,Fc1c(F)cccc1Cc2n(C)nc(C)c2C(=O)N3CCCCC3c4cccnc4 -MOL_01_007707,c1ccc(c12)cc3n2c(C)nn(c3N)C(CC)C(N)N4CCN(CC4)c5ccccc5 -MOL_01_007708,Clc1cc(ccc1)C2N(N(C)C(=O)C2C)C(=O)c3ccccn3 -MOL_01_007709,FC(F)(F)COC1CCC(CC1)C(O)c(c2)c(C)cc(c23)nc(O)c4c3n(nc4)C5CCOC5 -MOL_01_007710,CCCCCn1cnc(c12)c(CN)nc(n2)Nc3ccc(cc3)CCCC -MOL_01_007711,COc1c(OC)cc(cc1OC)CCC(C2N)=CC(N)c(c23)nc(cc3)-c4ccccc4 -MOL_01_007712,CC1(C)CC(C)(C)C(N)=NC1(C)c2cc(ccc2C)NC(=O)c3ncc(CN)cc3C -MOL_01_007713,NCc1cnc(cc1)NC(=O)C(CCC(C)C)Cc2ncnc(c23)n(nc3)-c4ccccc4Cl -MOL_01_007714,OCc(cc1)nc(c12)ccc(c2)-n(cn3)c(N)c(c34)cc(c4)-c5ccc(Cl)cc5 -MOL_01_007715,c1ccnc(c12)cc(nc2CC)-c3ccc(CN)cc3 -MOL_01_007716,c1cccc(c12)c(C)nnc2C(=C)NC3=C(C)N(C)N(C3=C)c4ccccc4 -MOL_01_007717,Cn1nc(N)cc1CN2C(=C)N(C)C(=C)c(c23)cc(cc3)CCC4(N)CC4 -MOL_01_007718,CCc1cc(c(F)cn1)-c(c2)ccc(C3)c2C4(CCC(=N4)N)C5(CCC5)C36CCC6 -MOL_01_007719,Cc1nc(N)nc(c12)n(cn2)CC3CCCN3C(=O)c4ccc(F)cc4 -MOL_01_007720,C1CCCCN1C(=C2)N=c(c23)nnc=4c3N=C(C4)N5CCCCC5 -MOL_01_007721,c1cccc(c12)nc(cc2)CCc(c3)ccc(c34)ncn4-c5ccnnc5 -MOL_01_007722,CC(C)NC(N)c1c(CN)n(c(c12)cccc2)C(N)(N)c3ccccc3 -MOL_01_007723,Clc1ccccc1C(N=2)=CC(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_007724,Cn1n(C)n(CC)n(C)c(c12)c(=O)n(cc2)N3N=NN=NN3C -MOL_01_007725,c1cncn1-c2cc(C)c(cn2)NC(=C)N(C3)CCN(C34)CC(CC4)c5ccc(F)c(CN)c5C -MOL_01_007726,NC(=O)N(C)Cc1ccccc1NC(=O)c2cnn(C)c2N -MOL_01_007727,NCc1cc(ccc1)C(=C)CC(C=2)=Nc(c23)c4c(cc3)=CN=C4c5ccccc5C(=C)C -MOL_01_007728,NCCCCC(=O)c(c1C)c(N)nc(c12)n(nc2)CCCCN -MOL_01_007729,NC1CNCCN1c2cc(=N)n(C)c(n2)CCc3ccccc3C(F)(F)F -MOL_01_007730,CCNC(=O)c(c1)ccc(c12)nc(C)c3n2c(cc3)-c4cncc(c4)CC -MOL_01_007731,N1=CN(C)C(=C)c(c12)c(NC3CC3)nc(c2)-c4cccc(c4)CNCC -MOL_01_007732,CCCCCCN1C(=C)C(NCC(=C)NC)=Nc(c12)cnc(c2)-c3ccc(CN)nc3 -MOL_01_007733,Cc1ccc(cc1)-c2ccc(n23)nc4c(c3N)cc(cc4)C(N)CCCO -MOL_01_007734,CCc1cc(CC)c(cc1CC)C(C=2CN)CC(=O)N(C23)CN(CC3)c4ccccc4 -MOL_01_007735,C=C(C)Nc(n1)nc(n12)ccc(c2)-c3cnc(CC)c(c3)NCc4ccc(F)cc4F -MOL_01_007736,CCCCc(n1)nc(n12)CC(C)=C(C(C)O)C2c3ccc(CN)cc3 -MOL_01_007737,Clc1ccc(cc1)CC(C(=O)N2)C(=O)C23c4c(cccc4)c5c3cccc5 -MOL_01_007738,c1ccccc1CC(=N)C2C(=N)N3c(cccc4)c4Cc(c3c25)ccc5 -MOL_01_007739,NCc1c(C=C(N2)N)c=2c(Cl)c(c1=3)N=C(C3)N -MOL_01_007740,c1cncnc1C2=CC(=C)N(C)C(=N2)N3CCCC(C34)c5c(CC4)cccc5 -MOL_01_007741,Cc(c1)ccc(c12)nc3c(c2)C=Cn4c(N3)nnc4-c5ccccc5Cl -MOL_01_007742,c1ccoc1CCC(=O)C(c2ccc(C)cc2)N(CC3CCCO3)C(=O)Cn4cnc(c45)cccc5 -MOL_01_007743,CCCc1cncc(n1)-c(c2)ccc(CC3)c2C4(C35CCC5)CCC(=N4)N -MOL_01_007744,C1CN1C(=CC2N)C(N)c(c23)nc(cc3)-c(c4)ccc(c45)cccc5 -MOL_01_007745,Cc1ncnc(c12)ncc(n2)-c3ccc(CN)cc3 -MOL_01_007746,FC1CNCCC1Cc2cccc(c23)ccc(n3)-c4nnc(n45)cccc5 -MOL_01_007747,O1COc(c12)ccc(c2)-c3n(CCOC)c(nc3)CCc4ccccc4OC -MOL_01_007748,O=C(O)c1ccc(nc1OC)C2=CN(c3ccc(CN)c(C)c3)C(C2)C4CCCC4 -MOL_01_007749,COc1cccc(n1)C(C=2)=NCC(=N)C(C23)CCc4c3cccc4OC -MOL_01_007750,Cc1ccc(cc1)CNC(=C)C(N=2)=C(C)C(=C)N(C23)CCCC3N(C)Cc4c(C)nn(C)c4C -MOL_01_007751,C1CNCC1Cc(ccc2)c(c23)nc(cc3)-c4nnc(n45)cccc5 -MOL_01_007752,Cc1cccc(c1)C2=NC=C(C2=3)C(CC(N3)=O)c(c4)ccc(c45)OCO5 -MOL_01_007753,CCCCCCN1C(=C)C(NCC(C)C)=Nc(c12)ncc(c2)-c3ccc(CN)nc3 -MOL_01_007754,Nc1cc(ccc1)C(=C(N=2)C)C(C23)C(c4ccccc4)Oc5c3cccc5 -MOL_01_007755,c1cncnc1C(=C)N(C2CCC)CCc(c23)n(cn3)CC4CC4 -MOL_01_007756,NCCN1CC(CC1)N2C(=C)C=Nc(c23)cnc4c3cc(cc4)-c5ccc(N)nc5 -MOL_01_007757,Cc1ccc(C)cc1C2=C(N(C)C(=C)C(=C2)CN)CCC(c3ccc(CN)cc3)c4cncn4C -MOL_01_007758,CCc(n1)cn(c12)CC(CC2)Nc3cc(C)nc(n34)ncc4 -MOL_01_007759,CCCOOc1c(C(N)CCC(C2)N)n2c(c13)cccc3 -MOL_01_007760,NC1CCN(CC1)c2cc(CC)c(cc2)C(N=3)=NC(=O)C(C34)=C(N=C4)C5CCCCC5 -MOL_01_007761,CC1CN(CN)CCN1Cc(c2)cc(c23)c(cn(C)c3N)-c4ccncc4OCC5CC5 -MOL_01_007762,c1ccccc1Cn2c(=N)c(c(O)c(c23)cccc3)C(=N)NC4CCN(CC4)Cc5ccccc5 -MOL_01_007763,c1ccccc1NC(N)c(c2C)cc(c23)ncn(c3N)Cc4ccccc4Cl -MOL_01_007764,NCc1ccc(cc1C)C2CCC(=O)N2CCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_007765,CCc1ccc(cc1)-c2nc(CN)nc(c2CN)N3CCCCC3 -MOL_01_007766,C1CCC1Nc(n2)c(C)nc(c23)cccc3C(C=4)=NC(C45)=NC=NC5=N -MOL_01_007767,CCCCCCN1C(=C)C(NCCCC)=Nc(c12)ncc(c2)-c3ccc(CN)nc3 -MOL_01_007768,CCC(C1N)=CC(N)c(c12)c(c(C)n2C)CCc3cccnc3 -MOL_01_007769,n1cccc(c12)C(=O)N(c3c(C2)ccc(c3)C)CC(=O)NC4CCCC4 -MOL_01_007770,Oc1n(C)c(NC)nc(c12)cc3c2CC(C)(C)CC3 -MOL_01_007771,NCc(c1)c(CN)cc(c12)CCn3c2cc(nc3=N)NCc4ccc(CN)cc4 -MOL_01_007772,O1COc(c12)ccc(c2)C3CCC(=O)Cc(c34)n(nc4C)-c5ccccc5 -MOL_01_007773,CCC1CCC(CC1)N2C(=O)N=c(c23)cnc=4c3C=CN4 -MOL_01_007774,NCc1ncc(cc1N)-c(nc2)cc(c23)cc(c(n3)N)-c4ccccc4 -MOL_01_007775,O=C(C)C1CCCc(c12)cc(cn2)-c3cncc(F)c3C4(O)CCC4 -MOL_01_007776,n1ncc(c12)c(N)n(CC(F)(F)F)c3c2ccc(c3)-c4ncccc4Cl -MOL_01_007777,C1CCCC1NC(=O)CN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_007778,COc1ccc(cc1)CNC(=O)CC(C(=O)C=2)=C(C)c(c23)c4c(c(c3)C)=C(C)C(C)=C4 -MOL_01_007779,CCCC1(CC(=O)C)CCCc(c12)n3c(c2)c(Cl)nnc3CC -MOL_01_007780,C1CC1CC(N)c2ccc(C)c(c2)-c(cc3)nc(CC4N)c3C45CCCC5 -MOL_01_007781,c1cncn1-c2ncc(cc2C)CC(=O)N(C3)CCN(C34)CC(CC4)c5ccc(F)c(NN)c5C -MOL_01_007782,C=C(O)c(c1)cc(c2c13)CC(CC4CC4)C(N)Cn2c(n3)O -MOL_01_007783,NCc(c1)c(CN)cc(c12)n3c(nc2N(CC)C(C)C)c(nc3)Cc4ccc(Cl)cc4 -MOL_01_007784,C1CCCCC1NC(=C)C(C2=C)=CN(CCCCC)c(n23)nc(n3)N4CCN(C)CC4 -MOL_01_007785,C1CC(C)=NC12c3c(cnc(C)c3)Cc4c2cc(cc4)CC(=O)c5ccc(Cl)cn5 -MOL_01_007786,C1CC1N(C2)C(=N)c(c23)ccc(c3)-c4c(C)n(cn4)-c5cccnc5F -MOL_01_007787,Cc1cc(ccc1)C2CC(C)=Nc(c23)n(nc3O)C4CCCC4 -MOL_01_007788,CCOC(=O)N(C1)CCC(C12)c3c(C2)nc(nc3O)-c4cc(OC)c(OC)c(c4)OC -MOL_01_007789,n1cccc(c12)cccc2CNc3cc(OC)c(cc3)C(=O)N(CC4)CCC4(O)Cc5ccccc5 -MOL_01_007790,C=C(O)c1c(CC)cc2ccnc(c2c13)c4c(C3O)cccc4 -MOL_01_007791,c1ccccc1-n2c(=O)c(c(N)n2C)CC(=O)c3cccnc3CCN -MOL_01_007792,CCc1ccc(cn1)CC(N)C(N)c2cn(c(c23)cccc3)CC4CCCC4 -MOL_01_007793,Cn1ccc(c12)c3n(cn2)cc(n3)-c4ccc(CN)cc4 -MOL_01_007794,CCNc1ccccc1CC(N)C2CCC(CC2)C(N)CCc3ccccc3 -MOL_01_007795,c1ccc(C)c(c12)C(=C)N(c3ccccc3)C(=C2)C(C)Nc4cc(N)nc(n4)C -MOL_01_007796,c1cccc(c12)c3c(c2)c(N)n(CNNC)c(n3)CCC(N)c4ccccc4 -MOL_01_007797,NCCC(=O)c1ncn(c1C(=O)CCN)Cc2cn(-c3ccccc3)nc2-c4ccc(Cl)cc4 -MOL_01_007798,CN1N(C)N(CC)CC1n2nc(C(=C)C)nc2CCc3ccc(cc3)NNNNN -MOL_01_007799,c1cccc(c12)CCC(C2)C(=C)N3CCN(CC3)c(n4)nc(N)c(c45)cc(C)c(c5)CN -MOL_01_007800,c1cccc(C2=N)c1C(=N)C(C23CC)C(C4CC4)=C3c(c5)cnc(c56)cccc6 -MOL_01_007801,c1ccccc1Cn2ccnc2C(CC)N(CC3)CCC34C(N)NCN4c5ccccc5 -MOL_01_007802,NCc1ccc(cc1)NC(=C)C(=C(C)c(c23)cccn3)C(=C)N2c4ccccc4 -MOL_01_007803,NCCCNC(N)c(c(C)n1CCC(C)C)c(c12)nc3c(n2)cccc3 -MOL_01_007804,CCc(c1)c(CC)cc(c12)nc(nc2N)N3CCN(CC3)C(O)CCC(O)c4ccccc4 -MOL_01_007805,NCC1CCC(CC1)C(N)c(c2)ccc(c23)n(cn3)-c4cccc(N)c4 -MOL_01_007806,CC(=O)c(c(C)c1)cc(c12)C(C(C)C(C2)(C)C)NC(=O)c3ccc(F)cc3 -MOL_01_007807,CCc1ccc(CC)c(c1)CNC(O)c2c(C)cc(c23)ncn(C)c3O -MOL_01_007808,Clc(c1)ccc(CC2=N)c1C23CC3c4cccc(n4)-c5ccccn5 -MOL_01_007809,Cc1cc(C)nc(c1)N2C(=O)CCC2c3c(CN)cccc3CN -MOL_01_007810,Fc1ccc(cc1)Cn(cn2)c(N)c(c23)c4c(c3)CCC4 -MOL_01_007811,Cc1ccnc(c1)C23C(CCC2)C(=N)c4c3nccc4 -MOL_01_007812,C=C(C)c1c(CN)c(C)n(c12)CCC2Cc3ccc(Cl)nc3 -MOL_01_007813,C12N=C(C)CC(C1)c3c(C2)nc4c(c3O)ccc(c4)N -MOL_01_007814,CC1CCC(CC1)NC(=O)CN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_007815,O=C1CCC(=C1C)N(CC2)C(=O)C23CCN(CC3)CC(C)c(c(Cl)c4)cc(c45)c6n(C5)ccn6 -MOL_01_007816,c1ncncc1-c(c2)ccc(c2C34N=C(N)CC3)Cc5c4cc(cc5)N6CCCCC6 -MOL_01_007817,Cc1cnc(cc1)C(=C)Nc(c2)ccc(c2C34CCCC(=N3)N)Cc5c4cc(CN)cc5C -MOL_01_007818,CC(=O)N1CC(N(C)N1C)n2cc(F)c(nc2=O)CC(=O)Cc3ccccc3 -MOL_01_007819,CC(C)Cn(c1N)cnc(c12)cc(C)c2C(N)NCc3ccccc3 -MOL_01_007820,NCc1cc(ccc1)Cn(cn2)c(c23)nc(nc3C)C4CCCN(C4)C(=O)c5ccccc5Cl -MOL_01_007821,N1=CN(C)C(=C)c(c12)c(NC(C)C)nc(c2)-c3ccc(F)c(c3)CN -MOL_01_007822,CC(=O)c(c1)cc(n12)C(C(C)C(C2)(C)C)N3CCCC3=O -MOL_01_007823,C=C(C)c1ccccc1CC(N)C2=CC(N)=CN(C2=3)C(=C)C=C(N3)N4CNCNC4 -MOL_01_007824,FC1(F)CN(C1)C(O)Nc2cnc(n23)ccc(c3)N4CCCC4c5cc(F)ccc5F -MOL_01_007825,Cn1c(=O)n(C)c(c12)cc(C(=C)O)c(c2)N3CCN(CC3)C(=O)c4ccc(C)cc4 -MOL_01_007826,C=C(C)C1NNCN1C(=C)N(CNc(c23)cccc3)C2Cn(c4=C)c(=C)c(c45)cccc5 -MOL_01_007827,Cc1ccc(cc1)C2=CN=C(C2=3)C(=O)N(C(N3)=O)CCN4CCN(CC4)c5ccccc5C -MOL_01_007828,c1ccccc1C(C)NC(=O)CN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_007829,OC1N(C)CC(O)N(CC(C)C)c(c12)ncn2Cc3ccccc3 -MOL_01_007830,Cc1ccc(cc1C)-c(n2)cnc(c23)nc(N)nc3CC(C)C -MOL_01_007831,Cc1nn(C)c(c12)ncc(C(=O)CCC)c2Cc3ccccc3Cl -MOL_01_007832,c1ccnc(c12)N(C3CC3)c4c(CC2=N)c(ccn4)CC5=CCCC5 -MOL_01_007833,c1ccccc1CN(C(=O)C23OC(=O)C(N)(C2(N)N)CC3)Cc4ccccc4 -MOL_01_007834,NCCCn(c1=O)cnc(c12)ccc(c2)-c3cnc(CN)c(c3)CCc4ccc(F)cc4 -MOL_01_007835,NCc1ccccc1CC(O)c(c2)cc(c23)nc4n(c3O)cccc4 -MOL_01_007836,CCCc1ncnc(c1CN)N2CCC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_007837,c1cccc(c12)c3c(n2)c4n(cc3)c(N)c5c(n4)ccc(c5)NC(N)CCCN6CCCC6 -MOL_01_007838,C=CC(=C)c1ccccc1NC(N)C2=CC(N)=CN(C2=3)C(=C)C=C(N3)N4CCCCC4 -MOL_01_007839,Cc1cccc(C)c1-n2ccnc2C(c(c34)cccc4)N(C3N)CCCn5ccnc5 -MOL_01_007840,Fc1ccc(cc1)C2(CN)C(C(=N)CC)=C(C)c(c23)c(F)ccc3 -MOL_01_007841,C=1C=Cc(c12)c3c(nc2=C)c(C)cc(C)c3-c4ccc(cc4)C(N)NC -MOL_01_007842,Fc1ccccc1NC(=O)CN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_007843,CCCNc1ccnc(c12)cc3c2ccn(c3N)-c4ccc(CC)cc4 -MOL_01_007844,Clc1ccc(cc1)-c2c(CN)c(CCCCCO)nc(c2)-c3ccccn3 -MOL_01_007845,CC(C)n1cnc(c12)c(nc(n2)N(CCO)CCO)CCc3ccccc3 -MOL_01_007846,CC=1C(C)=Cc(c12)nc(=O)n3c2nc(c3)-c4ccncc4 -MOL_01_007847,c1cccc(c12)c3c4c(C2)ccc(C(=C)O)c4cn3CCN5CNNC5 -MOL_01_007848,C1CCCC=C1c(c2)ccc(c2C34N=C(N)CC3)Cc5c4cc(cc5)-c6cncnc6 -MOL_01_007849,C=C(N1)CCc(c12)ccc(n2)CNCCN3CCN(CC3)c4ccnc(c45)cc(C)c(n5)CC -MOL_01_007850,Cc1c(C)cc(c12)ncn(c2N)CC(N)NCC(N)N3CCN(CC3)c4ccccc4F -MOL_01_007851,CN(C)CNc(cc1)cc(c12)C(=C)c3c(C=C2)ncc(c3)-c4cnn(c4)CC(=C)N5CCCCC5 -MOL_01_007852,CCc(c1)ccc(c12)c3c(C2N)c4c(nc3C)ccc(c4)N -MOL_01_007853,COc1ccccc1N2CCN(CC2)CCN(C3=N)C(=N)N=C(C3=4)C=C(N4)c5cccc(Cl)c5 -MOL_01_007854,Clc1ccc(cc1)-c2cn(C(C)=N)c(=N)n2-c3cc(CN)c(CN)c(c3)CN -MOL_01_007855,CCCCCn1c(O)nc(c12)cc(cc2)C(O)N(C)Cc3cnn(C)c3 -MOL_01_007856,CC(=O)c(c1)nn(c1C23CC2)c4c(CC3)ccc(c4)CCC5(C)CCN(C)C5=O -MOL_01_007857,CCc1ccc(cn1)CC(N)C(N)c2cn(CC(C)(C)CC)c(c23)cccc3 -MOL_01_007858,CC(=O)/C=C/C(=O)Nc1c(C)n(c(c12)ccc(c2)CC)C(=O)c3ccc(Cl)cc3 -MOL_01_007859,NNCC(=C)c1c(C=C(N2)C)c=2cc(c1=3)N=C(C3)C -MOL_01_007860,NOc1cccc(c12)C3C(CC2)CN(C3)CCN(C4=O)C(=O)N=C(C4=5)C=CC5 -MOL_01_007861,CCN(CC)CC(O)NC(N=1)=Cc(c12)c(C)c=3c(c2)N=C(C3)NC(O)CN(CC)CC -MOL_01_007862,CCNC(C)c1ccc(cc1)-c2c(O)ccc3=NC(=N)C(C4=c23)=CC=C4 -MOL_01_007863,C=C(C)NCC1CC(=C)N(C12)c3c(CC2)cc(cc3)-c4cncnc4 -MOL_01_007864,C1CCCC1Nc(c(c23)C(=C)N(C)C=N2)nc(c3)-c4ccc(N(C)C)cc4 -MOL_01_007865,Cc1ccc(C)c(n1)-c(c2)ccc(c23)C(C(C)NN3)C(=N)c4ccc(O)cc4O -MOL_01_007866,c1ccccc1-n(cn2)c(N)c(c23)cc4c3cccn4 -MOL_01_007867,NCCC(=C)CNC(=C)CN(C1=C)C=Nc(c12)n(cn2)-c3cccc(c3)CN -MOL_01_007868,C1CCOC1CNC(=N)C(C)Cc(nc(c23)cc(Cl)cc3)n(c2=N)-c4ccccc4ON -MOL_01_007869,CCc(c1)ccc(c12)c3c(C(C2)(C)C)cnn3CNC(=O)CN4CCN(CC4)c5ccccc5 -MOL_01_007870,CCc(c1)ccc(c12)C(CC(=O)C2)c3nc(CCN)nc(c34)cccc4 -MOL_01_007871,C=C(O)c1cccc(c1)N2C(=O)CCC2c(c(n3)C)cc(c34)cccc4 -MOL_01_007872,Cc(c1)c(C)cc(c12)NC(N)C(c3n2ccn3)N(C)CCc4ccccc4 -MOL_01_007873,C1CCCCN1CCCNC(=O)CN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_007874,CC(C)CCn(c1N)c(CCCN)nc(c12)c3c(c2)cccc3 -MOL_01_007875,c1ccccc1CC2COC(N)N2c3ccnc(n3)CC4CCCC4 -MOL_01_007876,c1ccccc1-n2c(=N)c(nc(c23)cncn3)-c4ccccc4 -MOL_01_007877,c1cccc(c12)c3c(c2)c(C)nn(c3N)C(CC)C(N)CCCc4ccc(CN)cc4 -MOL_01_007878,CCc(c1)ccc(c12)C=c3c2c4c(cc3)=NC(C(=O)C)=CC4=O -MOL_01_007879,Cn1cncc1CC(CC2)CCc(n23)nc4c(c3N)ccc4 -MOL_01_007880,NCc1ccc(cn1)-c2cccc(n23)nc(c3)NC(O)C4CC4 -MOL_01_007881,c1ccc(c12)n(cc(c2O)C(C)O)Cc3ccc(cc3)-n4ccnc4 -MOL_01_007882,C1CC(N)=NC12C3(CCC3)C(C)(C)Cc4c2cc(cc4)-c5cccc(c56)cncc6 -MOL_01_007883,NCc1ccc(cc1)-c2c(C3=NCCCN3)ncn2-c4ccccc4 -MOL_01_007884,CC(C)(N1)CCc(c12)cc(cc2N)-c(c3N)cnc(c34)cc(N)cc4 -MOL_01_007885,NCCC(O)N(C1)CCCC1n(c(O)c(c23)cc(CC)c(c2)CC)c4c3cnc5c4ccn5 -MOL_01_007886,c1cccc(c12)c(=C)n(c2=C)C(N)C(=C)CC3=C(N)N(C)N(C3=C)c4ccccc4 -MOL_01_007887,CCCC(=O)c1c(CCC)nc(-c2nnnnn2)c(c1CC)C(=O)CCC -MOL_01_007888,Clc1cc(Cl)ccc1C(N)C(C2)CCn(c23)c(cn3)-c4ccccc4 -MOL_01_007889,Fc1ccc(cc1)CNC(=C)C(N=2)=C(C)C(=C)N(C23)CCN(C3(C)C)Cc4cn(C)cn4 -MOL_01_007890,Cc1cc(CN)nc(n12)c(c(n2)N)-c3ccccc3CN -MOL_01_007891,NCc1ccccc1Cc2ncnc(c23)n4c(n3)CCCCC4 -MOL_01_007892,c1ccccc1C=2C(C(=O)NC)=CC(C23)=NN=C3N4CCC(CC4)CCCCN5CCCC5 -MOL_01_007893,NCc1ccc(cc1)C(N)CC(=C)N2CCN(CC2)c(n3)nc(N)c(c34)cc(CC)c(c4C)CC -MOL_01_007894,COc1ccc(cc1)CNC(=O)CC(C(=O)C=2)=C(C)c(c23)c4c(c(c3)C)=C(C)C=C4 -MOL_01_007895,CCC(C)Cn1cnc(c12)c(nc(n2)N)CCc3ccccc3F -MOL_01_007896,CC1CC(C)CN(C1)CCCNC(=O)CN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_007897,C=C1CCCC(N12)=NC(C)=C(C(=C)CN)C2c3ccc(cc3)C(=C)CN -MOL_01_007898,Clc1ccccc1Cc2ncnc(c23)n4c(n3)CCCCC4 -MOL_01_007899,C=C1NC(=C)NC(=C)C12CCC(=C)N2c3ccc(nc3)Cc4ccc(F)cc4 -MOL_01_007900,Nc1ncc(cc1)CCc2c(ncnc2C)N3CCC(CC3)CC(N)N4CCN(C)CC4 -MOL_01_007901,Cc1ccc(cc1)-n2cc(C(F)=N)c(=N)c(c23)cc(C)c(c3N)NCC(C)C(F)=N -MOL_01_007902,c1ccc(c12)n3c(c2)c(N)n(nc3CC)C(C)C(N)N(C)Cc4ccccc4 -MOL_01_007903,Cc1ccc(cc1)-n(c2N)ccc(c23)c4c(c3)nccc4NC5CC5 -MOL_01_007904,c1ccccc1C(=C(N)C(=O)C2N)C2(O)c3ccccc3 -MOL_01_007905,CCCN1CCN(CC1)CCCNC(=O)CN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_007906,N=C1N=NC(C)=C2N=C(C3=C12)c4c(C3)cccc4 -MOL_01_007907,c1ccnc(c12)n(CCCC)cc2-c3c(=C)[nH]c(=C)c3-c4ccccc4CN -MOL_01_007908,CCOc1ccc(cc1)NC(=N)CC2C(=N)N(c3cccc(C)c3)C(=N)N2Cc4cccnc4 -MOL_01_007909,Cc1nn(C)c(c12)CC(N)=C(CN)C2c3ccc(CN)c(Cl)c3 -MOL_01_007910,Cc1ccc(c12)nc(N)n(c2N)CCC3CCC(CC3)c4ccccc4CN -MOL_01_007911,NCc(c1)c(CN)cc(c12)ncnc2NCc(c3)ccc(c34)CCC4 -MOL_01_007912,NCc1ccc(nc1C)CC(C2(C)C)C(C)(C)C2NC(=O)c3cnc(n34)ccc(n4)CN -MOL_01_007913,O=C1CCC(=C1C)N(CC2)C(=O)C23CCN(CC3)CC(C)c(c(C)c4)cc(c45)c6n(C5)ccn6 -MOL_01_007914,NCCC(Cl)Cc(n1)cc(c12)n(CN)c(Cl)c(c2)-c3cccnc3 -MOL_01_007915,CC(C)CCCn(c1N)c(N)nc(c12)c3c(n2)cccc3 -MOL_01_007916,CCc1ccc(cc1)Cn(c2N)c(CCC(N)N)nc(c23)c4c(c3)cccc4 -MOL_01_007917,NCc(c1)ccc(c12)c(ccn2)CCc3nnc(n34)ccc(c4)-c5ccccc5 -MOL_01_007918,FC(F)(F)c1ccc(cc1)CC(C)(C)CCC(O)c2cc(O)cc(c23)CC(CO3)N -MOL_01_007919,Oc1ccccc1-c(cc2N)cn(c23)c(cn3)NCNCc4ccccc4 -MOL_01_007920,CCNc1cccc(c12)cc(c(n2)N)-c(n3)cn(c34)cc(C)cc4 -MOL_01_007921,CCC(=O)NCCC1C(=O)C(C)(C)Cc(c12)ccc(c2)-c3c(C)cc(N)nc3CC -MOL_01_007922,NCNC(=O)c1cc(C2CC2)c(cc1C)OC(CC3(C)C)CCC3 -MOL_01_007923,CNC1=NC(=O)C(C1)C(C)c2cn(c(c23)cccc3)C(=O)CCC(C)(C)N(C)C -MOL_01_007924,CCc1cccc(c1)NC(N)CCCc(c(CN)c2CC)nc(c23)CC(C)(C)CC3N -MOL_01_007925,Oc1nn(C)c(c12)nc(C)c(c2C)CC(O)Cc3cccc(c3)CN -MOL_01_007926,CC=1C(C)=Cc(c12)c3c(cc2C)=CC(=O)C(=C3C)CC(=O)NCc4ccc(F)cc4 -MOL_01_007927,c1cnc(n12)nc(C)c3c2N(CC3)Cc4ccccc4N -MOL_01_007928,CNc1ccc(CN)cc1-c(c(=N)n2C)nc(c23)cc4c(c3)cccc4 -MOL_01_007929,c1cccc2c1CCN(C3=C)C2C(c(c34)cccc4)C(=C)NCc5ccccc5CN -MOL_01_007930,C1CC1NC(=C)c2cc(C)c(N)c(c2)-c(cc3)cc(NC4=C)c3C45CCCC5 -MOL_01_007931,c1cccc(c12)c3c(c2)c(C)nn(c3N)C(C)C(N)Cc4cccc(F)c4 -MOL_01_007932,NCc1ccc(c12)c(N)n(CN)c(n2)CC3CCCC3 -MOL_01_007933,CC(O)Cn(c1O)nnc(c12)cc3c2CCC(C3)C(C)(C)C -MOL_01_007934,c1cc(F)ccc1C(=C(C23)C(=N)N=C(N=2)C)C(=N3)c4ccc(F)cc4 -MOL_01_007935,NCn1c(=O)c(C(=O)C)c(C)c(c12)ccc(n2)N -MOL_01_007936,CCCn1c(C)c(C)c(c12)c(O)cc(n2)N(C)C -MOL_01_007937,Cc1cccc(c1)C2CC(N)Cc(c23)n(C(C)C)nc3N -MOL_01_007938,CC(N)c1ccc(cc1)-c2c(O)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_007939,Cc1cccc(c1)-c2nnc(o2)C3(C)CC(NO3)c4ccccc4 -MOL_01_007940,Cn1c(=N)n(C)c(=N)c(c12)n(CCN)c(n2)CN3CCCCC3CN -MOL_01_007941,c1cccc(c12)cccc2C3N(C(=C)CC4)C4C(=C)c(c35)c(C)c(CN)c(c5)CN -MOL_01_007942,O=C(N=1)C=C(C12)C(C(CC2)(C(=O)O)CC(=O)O)c3cc(OC)c(cc3)OCc4ccccc4 -MOL_01_007943,c1cnccc1-c2cnc(N)c(c2)NC(N)C(Cc3ccccc3)NCc4ccccc4 -MOL_01_007944,c1cccnc1NC(O)C(CN2CC(C2)C)Cc3ncnc(c34)n(nc4)-c5ccccc5Cl -MOL_01_007945,FC(F)CCc1c(CN)c(ncn1)N2CCC(C2)Cc3ccc(cc3)C(N)NC(=O)N -MOL_01_007946,Cc1ccc(cc1)-c2ncc(C(N)C3CCC(O)CC3)nc2-c4ccc(C)cc4 -MOL_01_007947,Cc(n1)nc(C)c(c12)ncn2CC3CCCN3C(O)c4ccccc4F -MOL_01_007948,Nc1cccc(c12)n3c(c(N)nc3)Cn4c2ncc4 -MOL_01_007949,C=C(C)C1CCCN1c(c2)cnc(c23)n(cn3)Cc4ccc(c(c4)CN)CCc5ccc(CN)nc5 -MOL_01_007950,Nc1ccc(cc1Cl)-n(c2N)cnc(c23)c4c(c3)cccc4 -MOL_01_007951,CCCc1ccccc1CNC(N)CN(C2N)c(cc(C)cc3)c3Cc(c24)nccc4 -MOL_01_007952,CCCCn1cnc(c12)c(nc(n2)N)CCc3ccc(Cl)cc3 -MOL_01_007953,Cc1ccc(cc1C)-n(c2N)c(nc(c23)nnc3)CCc4cccc(F)c4 -MOL_01_007954,C=c(c1)ccc(c12)c(c=3c(c2CC)C=CC3)Cn4cnc(c4)NCC5CN(NC)N(C)N(C)N5C -MOL_01_007955,Fc1cc(Cl)ccc1C(O)N(C2)C(C)Cc(c23)n(cn3)-c4ncc(F)cn4 -MOL_01_007956,NCc1ccc(cc1)C(C=2)=Nc(c23)c4c(nc3O)=CC=C4 -MOL_01_007957,NCc(n1)cc(C=O)c(c12)CC(=O)c3c(N2CC)nccc3 -MOL_01_007958,NC(C1)=NC(CCC2)c3c2nc(c4c13)cccc4 -MOL_01_007959,NCc(cc1)cc(c12)nc(C)c(c2)C(N3CCCCC3)c4nccn4C(C)(C)C -MOL_01_007960,CCc(c1)c(CC)cc(c12)nc(nc2N)N3CCN(CC3)c4cnccn4 -MOL_01_007961,Fc(c1)ccc(c12)nc3c(c2C)C(N)CC(C3)c4ccccn4 -MOL_01_007962,c1ccc(c12)cc3n2cnn(c3O)C(ON)C(O)CCc4ccccc4 -MOL_01_007963,NCc1ncc(cc1)-c(c(CC)n2C)c(c23)cc4c(c3)CNC4 -MOL_01_007964,c1ccccc1-c(c2C)c(CN)c(n23)ncn(c3=O)-c4ccc(Cl)cc4 -MOL_01_007965,c1ccccc1-c(n(C)c2N)cc(c23)cnc3-c4ccccc4CN -MOL_01_007966,CCc(n1)ccc(c12)ccc(F)c2CC(N)C3CCC(CC3)NCc(n4)ccc(c45)CCC(=O)N5 -MOL_01_007967,C=C(C)CCC(C(=C)C)NC(=C)c1ccc(cc1)NCC(N2C(=C)N)CNc(c23)nc(N)nc3C -MOL_01_007968,CC(=O)Nc1ccc(cc1)-c2ccnc(c23)CC(C3)(C)C(=O)Nc4cccc(c4)C(=O)C -MOL_01_007969,CC(=N)Cc1cccc(c12)n(cc2C(=N)C(C3(C)C)C3(C)C)CCC4CCOCC4 -MOL_01_007970,C=C(C)c1ccccc1CC(c2ccccc2NC)CC(CN)n3cnc(c34)c(Cl)ncn4 -MOL_01_007971,c1cccc(c12)c3c(c(N)n2CC)cc(c3)C(N)NCCCN4CCN(CC4)c5ccc(F)cc5 -MOL_01_007972,Cc1cccnc1C(O)N(C2)CCc(c23)c(ncn3)N4CCCCC4 -MOL_01_007973,c1cccc(c12)c(=N)c(c(n2CC)CC(C)=N)-c3ccccc3Cl -MOL_01_007974,FC1(F)CCC(C)=NC1(C)c2cc(ccc2F)CC(=O)c3nn(C)cc3Cl -MOL_01_007975,CCN(CC)CCNC(=O)CN1C(=O)c(cccn2)c2Cc(c13)ccc(c3)C -MOL_01_007976,CN(C)CC(C)c1ccc(cc1)-c2c(O)ccc3=NC(=N)C(C4=c23)=CC=C4 -MOL_01_007977,CCCc1c(Cl)nc(NNNC)n1Cc2ccc(cc2)C(=O)N3CNNC3C(=O)C -MOL_01_007978,Cc(n1)cc(c12)c(C)nn(c2O)-c3ccc(F)cc3F -MOL_01_007979,NCc(c1)c(CN)cc(c12)c3c(c4c(c3=C)cc(C)c(c4)C)n(c2=C)CCCn5ccnc5 -MOL_01_007980,CCCc1cc(ccc1)C2=C(N(C)C(=C)C(=C2)CN)CCC(c3ccc(CN)cc3)c4cncn4C -MOL_01_007981,CC(C1)=NCC(C12)C(C)(C)Oc3c2c(N)cc(c3)C(C)(C)c4cc(C)cc(C)c4 -MOL_01_007982,NCc1ccccc1N(C(=C)c(c23)cc(Cl)cc3)C(=N2)CCc4cc(CN)c(CN)c(c4)CN -MOL_01_007983,FC1(F)CCC(C)=NC1(C)c2cc(ccc2F)CC(N)c3nn(C)cc3Cl -MOL_01_007984,CCCC(O)c1c(C)nn(C(O)C(C)C)c1-c2ccc(CC)cc2 -MOL_01_007985,CNN1CC(N(C)N1C)n2cnc(c23)c(C)ncc3 -MOL_01_007986,C1CCCC1c(n2)nc(c23)nc(n(c3Cl)CCC)Cc4cccnc4C -MOL_01_007987,CCc1ccc(cc1)-n(c2=O)cnc(n23)c(C(=O)CCN)c4c3cccc4 -MOL_01_007988,C=C(N)c1ccc(cc1)C2Cc(cccc3)c3n(c24)c5c(c4)cc(cc5)CN -MOL_01_007989,CCc1ccc(cc1CC)CNC(=O)CC(C(=O)C=2)=C(C)c(c23)c4c(c(c3)C)=C(C)C=C4 -MOL_01_007990,C=C(C)c(n1)cn(c12)CC(CC2)CCc3ccc(nc3)N4CCCCC4O -MOL_01_007991,n1cccc(c12)C(C)(C)C(N)C2c3cccc(c3)C(N)(N)N -MOL_01_007992,C1CCN=C1n2n(C)c(C(C)C)c(c2=O)CC(=O)Cc3ccc(Cl)cc3 -MOL_01_007993,C=C(C)c(n1)cn(c12)CN(NC2)CNc3ccc(cn3)-c4ccc(CC(F)(F)F)c(F)c4 -MOL_01_007994,O=C1CC(=O)CC(=O)C12C(c3ccccc3)C(C)c4c(N2)cc(cc4)C(=C)O -MOL_01_007995,Nc1cc(ccc1)CCC(N)(c2cncn2C)c3ccc(CN)c(c3)-c4cccc(c45)cccc5 -MOL_01_007996,Fc1ccc(F)cc1Cc2c(N)n(nc2CC(N)N)-c3ccc(nn3)C4CC4 -MOL_01_007997,Cc1ccccc1C(=C)c2c(N)n(c(c23)cccc3)CCN4CNCNC4 -MOL_01_007998,CCC(=O)c(c1C)nc(CN)c(c12)ccc(=O)n2Cc3ccccc3 -MOL_01_007999,CCC(C)CN(C=N1)C(=C)C(=C12)C(=C(C)C(=C)N2C)Nc3ccc(CN)cc3F -MOL_01_008000,Oc1cccc(c12)NC3c4c2cccc4NNN3Nc5ccccc5 -MOL_01_008001,CN(C)C(N)c1ccc(cc1)-c(n(C)c2N)cc(c23)cnc3-c4ccccc4 -MOL_01_008002,Cc1ccc(cc1)C(C=2)=NC(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_008003,CCC(N)c(c1)ccc(c12)n(c3c2oooo3)COCN4CCCCC4 -MOL_01_008004,NCc(c1)ccc(c12)n3c(n2)CCC3c4c(Cl)cccc4Cl -MOL_01_008005,NCc1ccc(cc1)NC(=C)CN(C2=C)C=Nc(c23)n(cn3)-c4ccc(C)cc4 -MOL_01_008006,c1cccc(c12)CC(C)C2n3ccc(c34)c(N)ncn4 -MOL_01_008007,CC(O)CCC(O)c1nccc(c12)n(cn2)-c3ccccc3 -MOL_01_008008,c1cnccc1CC(C(=O)C)NC(=O)C2CCCN2Cc3cc(Cl)cc(Cl)c3 -MOL_01_008009,Clc1ccc(cc1)C2(NN2)c3nnc(n34)c(ccc4)Cc5ccccc5 -MOL_01_008010,c1ccccc1-c2nc(N)ncc2-c3nccn3-c4ccccc4 -MOL_01_008011,C1CC1(N)CC(=O)N(CC23)CC(CCC2)C3Cc4c(CC)c(ncn4)Nc5ccc(CN)cc5F -MOL_01_008012,CCn1ncc(c12)cc3nc2CCCOC(C)(C)C(CC(C3)N)c4ccccc4 -MOL_01_008013,Cc(n1)cc(n12)nc3c(c2=O)=C4C(=C3)CCCC4 -MOL_01_008014,c1cccc(c12)n3c(c2)N(C(=O)C(C3=O)CC)CC4CCCC4 -MOL_01_008015,Cc1ccc(cc1)-n(c2=O)c(nc(c23)CCC3)CCC(=O)NCC4CCCC4 -MOL_01_008016,CC(C)(C)n1ccnc1C(CCCC)N(CC2)CCC23C(N)NCN3c4ccccc4 -MOL_01_008017,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(n3)N(CCCN)CC4CCCC4 -MOL_01_008018,C=C(C)c1ccc(Cl)c(c1)CC(=C)C(N)CC(N(C2=C)C(N)CCN)=Nc(c23)cccc3 -MOL_01_008019,C1CCc(n12)nc(c(c2=O)CN)-c3ccc(F)cc3F -MOL_01_008020,FC(F)(F)c1cnc(nc1NC)Nc(c2CN)ccc(c23)C(O)N(C3)C4CCC4 -MOL_01_008021,CCc(c1)ccc(c12)C=C3C2=NC(=NC3=O)C4CC(F)CN4 -MOL_01_008022,NCc1ccc(Cl)cc1NC(=C)CN2CCC(CC2)n3cnc(c34)cccc4 -MOL_01_008023,c1ccccc1C(=NN=2)c(c23)nc(nc3=C)-c4cc(ccc4CCC)CN5CCN(C)CC5 -MOL_01_008024,c1ccc(c12)nc(=C)n(c2=C)COC(=C)N3CCN(CC3)c4ccccc4CN -MOL_01_008025,C1CC1CC(C(=N)C(CC)C2=N)c(n23)ccc3-c4ccccc4 -MOL_01_008026,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ncnc(c3Cl)NCC4CC4 -MOL_01_008027,O=C(O)CCc(o1)cc(c12)cc(cc2)-c(c3C4(C56C789)C58C469)cc(O7)cc3 -MOL_01_008028,Fc1ccc(cc1Cl)C(=N)CC2C(O)C(C)(C)Oc(c23)cc4c(c3)C(=N)CCC4 -MOL_01_008029,OCc(c1)c(C(=O)C)cc(c12)n3c(n2)c4c(NC3)cccc4 -MOL_01_008030,C1CCCCC1N(CCCN)C(=O)C(C)N2CCC(C2=O)NCc(c3)ccc(c34)cc(Cl)cc4 -MOL_01_008031,CC(C)(C)CC(O)NCCNc1ccnc(n1)Cc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_008032,CCCCCN(c(c12)cccc2)C(N)C1(CO)c(c3)ccc(c34)CCC4 -MOL_01_008033,Clc1ccccc1N(C=N2)C(N)=C(N23)N=c4c(=C3N)cccc4 -MOL_01_008034,Cc1nc(C)c(nc1C)-c(c2)cc(n23)nc(N4CCCC4)cc3N(C)C5CCCCC5 -MOL_01_008035,c1ccc(c12)n(cc(c2O)C(C)O)Cc3ccc(cn3)-c4cnn(C)c4 -MOL_01_008036,Nc(n1)c(C)nc(c12)c(ccc2)C(C=3)=NC(C34)=NC=NC4=O -MOL_01_008037,CC(C)CNC(=O)c1ccc(cc1)C2CCC(=O)N2Cc3ccccc3 -MOL_01_008038,Clc1ccc(cc1)CN(C(O)NC2O)C23c4c(cccc4)c5c3cccc5 -MOL_01_008039,NCC(=C)CCC(=C)Cn1cnc(c12)N(C)C(=C)N(C)C2=C -MOL_01_008040,NCc1ccc(cc1)-n(c2N)c(CN)nc(c23)ccc3 -MOL_01_008041,Cn1nc(N)c(c1C)C(=O)c(c2)ccc(c23)n(C)c(=O)n3C(N)N -MOL_01_008042,Cc1ncc(cc1)CCc2c(ncnc2CC)-c3ccc(c(c3)ON)C(N)N4CCOCC4 -MOL_01_008043,Cn1cnc(c1)-c2cnc(N)c(c2)CC(C3(F)F)CN(C3)C(=O)Cc4ccc(CC(F)(F)F)cc4 -MOL_01_008044,Cc1nnnc(n1)-c(n2)nnc(c23)C4CC3N(C)CC4 -MOL_01_008045,NCC(=O)C(CC)n(c1=O)cnc(c12)n(cn2)-c3cccc(c3)CN -MOL_01_008046,c1ccc(n12)nc(O)c3c2NC(O)CC3c4ccccc4 -MOL_01_008047,Clc1ccc(cc1)C(CC)n2cnc(c2)-c3cnc(c(C)c3)C(=O)CCC(=O)C -MOL_01_008048,C1CCOC1Cn2cnc(c23)c(nc(n3)C(F)(F)F)CCc4ccncc4 -MOL_01_008049,Cc1cccc(n1)N2C(=O)CCC2c3c(CN)cccc3CN -MOL_01_008050,CCc1ccc(NC(C)C)cc1NC(C)CCc2nnc(n2CC)-c3ccccn3 -MOL_01_008051,c1ccncc1CC(C(=N)N2C)N(C(=N)c(c23)ccc(Cl)c3)Cc4ccc(C(=N)O)cc4 -MOL_01_008052,NCCCNc1nc(n2c(c13)cccc3)c(nc2)-c4ccccc4 -MOL_01_008053,C12C(C2)N(C)CCN1C(=O)Cc(c3)c(CC)cc(c34)ncnc4Nc5cccc(Cl)c5F -MOL_01_008054,c1cc(ON)ccc1-n2cc(-c3ccccc3)c(c24)c(ncn4)CCCOCCO -MOL_01_008055,CCn1ccc(c12)ccc(c2)-c3ccc(c(n3)N)C4(C)CCCC4N -MOL_01_008056,O=C(N)c1cccc(c12)c(ncn2)CCCCCc3ccccc3 -MOL_01_008057,NCc1ccc(cc1)C(O)c2c(CCCC3O)c3cc(n24)ccc4 -MOL_01_008058,Nc1ncnc(c12)nc(C)c(c2)-c3c(N)cccc3N -MOL_01_008059,CCC(C)CC(=O)N(C12)C3CC(C1)N(C(C3)C2)c4ncnc(c4C)Cc5cccnc5C -MOL_01_008060,O=C(C)C(N=1)=CC(=O)c(c12)c3c(cc2)=Cc4c3cccc4 -MOL_01_008061,NCc(c1)c(CN)cc(c12)c(N3CNCNC3)nc(n2)-c4cc(C(=C)C)c(C)cc4 -MOL_01_008062,c1ccc(CN)c(c12)C(=C)N(CC(=C)NC(C)(C)C)C(=C)N2CCCCC -MOL_01_008063,CCCCn1c(ncc2O)c2c(O)c(c13)cc(F)c(Cl)c3 -MOL_01_008064,NCc(cc1)cc(C2)c1N=C(c3c(C4N)cccc3)C24c5ccccc5 -MOL_01_008065,CCC1=NC(N)C(=C1)Cc2cn(C)c(c23)cccc3 -MOL_01_008066,NNc(cc1)nc(c12)C(CN)c3c(C(=O)C2C)cccn3 -MOL_01_008067,CN(C)CCn(c1=O)cnc(c12)ccc(c2)-c3cnc(CN)c(c3)CCc4ccc(F)cc4 -MOL_01_008068,CC(N)c1cccnc1Cc2nc(cc(n23)ncc3)-c4ccccc4ON -MOL_01_008069,Cc1nc(N)nc(c12)ncc(c2)-c3cnc(CC)c(c3)NCc4ccc(CN)cc4 -MOL_01_008070,Cc1ccccc1CNc2cc(cnc2C)CCc3c(C)ncnc3N4CCOCC4 -MOL_01_008071,NCCCn1c(=O)cnc(c12)cnc(n2)CCc3ccccc3 -MOL_01_008072,CCc1ccccc1CC2(C(=O)C)CCN(CC2)c3ncnc(C)c3C -MOL_01_008073,C1CCNC1(NC)c2cc(-c3ccc(C(C)(N)N)cc3)n(n2)-c4ccc(C)cc4 -MOL_01_008074,CCOc1ccc(cc1)-c2cc(on2)N(N3O)C(O)=Nc(c34)cccc4 -MOL_01_008075,c1ccccc1-n(c(=N)c(c23)cccc3)nc2C(=N)NCC(c4ccc(F)cc4)N5CCOCC5 -MOL_01_008076,c1ccccc1-c2ccc(c23)nc(n(C)c3N)CCC(N)NCC4CCCC4 -MOL_01_008077,Cc1cccc(c1)CC(N)c(c2)cc(c23)nc4n(c3N)cccc4 -MOL_01_008078,NOc1ccc(cc1)-c2c(C3=NCCN3)ncn2-c4ccccc4 -MOL_01_008079,CC(O)CCc1ccnc(c12)N(C3CC3)c4c(C(C2)O)cccn4 -MOL_01_008080,C=C(C)c1c(N)nn(c1N)C(N)c2nnc(C)n2-c3cccc(Cl)c3 -MOL_01_008081,c1cccc(c12)nc(C)n2C(C(C)C(C)(C)C3)c(c34)cc(cc4)CN -MOL_01_008082,Cc1cncc(c1)C(O)N(CC2)CCC23c4c(NC3O)cccc4 -MOL_01_008083,CCc1ncccc1-c(c2)cc(c23)nc(n(C)c3O)NCCNC(C)O -MOL_01_008084,c1ccccc1C(NC(=O)C)CC(=O)CCC(=O)N2CCc(c23)cccc3 -MOL_01_008085,NCCCCn(c1O)cnc(c12)cc3c2nc4c(n3)cccc4 -MOL_01_008086,NOc1ccc(cc1ON)C(=O)NCCn2cc(c(c23)cccc3)CC(N)c4ccccc4 -MOL_01_008087,Cc1ccc(cc1)CNC(=O)CCc2nc(nc(c23)n(C)c(=O)n(c3=O)C)-c4ccccc4C -MOL_01_008088,C1CN(C)C(=N)C1(O)CCc2cccc(c2)-c3nc(C(=N)N)c(n34)cccc4 -MOL_01_008089,C1CCN=C1C(C2)N(CC)c(c23)ccc(c3)N -MOL_01_008090,NCc(c1)c(CN)cc(c12)C=3N(CC2)C(=C)C=C(C)C3c4ccccc4 -MOL_01_008091,CCCC(=O)c1ncn(c12)c3c(C(=O)C(C2)C)cc(cc3)CC -MOL_01_008092,C1CCCc(c12)c(Cl)c(C(N)OCC)c(Cl)c2CCn3cnc(c34)C(O)CN=CC4 -MOL_01_008093,c1cccc(CC(C)(C)C2)c1C23NC(CN)=NC3=O -MOL_01_008094,NC(=N1)CCC(CCC2)C12c3cc(ccc3C)NC(=O)c4ccc(cn4)CN(C)C -MOL_01_008095,c1ccccc1C=2C(C(N)NC(C)C)=CC(C23)=NN=C3N4CCC(CC4)COCCN5CCCC5 -MOL_01_008096,C1CC1CCc2cc(ccc2CN)C(CC3)=Nn(c34)c(nn4)-c5ccccc5F -MOL_01_008097,CCC(=O)Cc1ccc(c(c1)CN)C(N=2)=NC(=O)C(C23)=C(N=C3)C4CCCCC4 -MOL_01_008098,Oc1cc(O)ccc1-c2nnc(C)n2-c(c3)ccc(c34)CCCC4 -MOL_01_008099,NCc1ncc(cc1)NC(=C)CN(C(=C)N2)C(=C)C2(CC)c3ccccc3 -MOL_01_008100,CC(C)n1cnc(c1)-c2cc(cnc2C)-c3ccc(F)c(c3)CN4CCOCC4 -MOL_01_008101,O=c1n(C)cnc(c12)cc(nc2CC(C)C)-c3ccc(CN)nc3 -MOL_01_008102,C1CCCC1N2C(=C)C(CN)=Cc(c23)cnc(n3)Nc4ccc(CN)cc4 -MOL_01_008103,Nc1cc(C)ccc1-c2n(-c3ccc(C)cc3)c(N)c(c2)CN4CCOCC4 -MOL_01_008104,Cc1ccc(cc1)CNC(=C)C(N=2)=C(C)C(=C)N(C23)CCN(C3(C)C)Cc4ccn(n4)C -MOL_01_008105,CCC1C=C(N)C(C1)n2cnc(c23)c(C)nc(n3)C -MOL_01_008106,C=C(N)c1cccnc1CCc2cc(cc(c23)nccc3)-c4ccc(nc4)CCN -MOL_01_008107,Cc1ccccc1-c2ncncc2-c3ccc(CN)cc3 -MOL_01_008108,Cc(c1)cc(c12)c3c(n2C)c(N)n(nc3)Cc4ccccc4Cl -MOL_01_008109,Cc1ccc(cc1)CNC(=N)c(c(=N)c2O)cn(c23)ccn(c3=N)CCOc4ccccc4 -MOL_01_008110,CCC(=N)c1ccccc1-n2c(N)c(CN)c(cc2=N)-c3ccc(N(C)C)cc3 -MOL_01_008111,CCCNC(O)CCc(n(C)c1O)nc(c12)cc(C)c2C -MOL_01_008112,c1cccnc1-c2ccc(cc2)C(C)Nc3nccc(n3)N4C(=O)CCC4C(C)C -MOL_01_008113,CN1C(=O)NNc(c12)ccc(c2)CC(=O)CC3NC(N)(C(F)(F)F)Cc(c34)cccc4 -MOL_01_008114,Clc1ccc(cc1)C(=N)C(=C2)C(CC)=c(c23)cc4c(c3C)=CC(=N)C=C4C -MOL_01_008115,c1ccccc1CC(C(=C)CC)NC(=C)Cn2cnc(c23)c(CC)nc(n3)N -MOL_01_008116,CCc1ccc(cc1)C2CC(=N)N(C(=C23)CCC3=N)c4ccc(C)cc4 -MOL_01_008117,c1ccccc1C(=C)Cc2c(CN)cc(ccn3)c4c3CCc(c5c24)cc(CN)c(CN)c5CN -MOL_01_008118,CCOC(=O)C(N=1)=Cc(c12)ccc3c2=Nc4c3cc(cc4)ON -MOL_01_008119,Cc(n1)cc(C)n(c12)cc(n2)-c(c3)ccn(c34)cc(n4)-c5ncccn5 -MOL_01_008120,O=c1nncc(c12)nc3c2c(=O)c4c3cccc4 -MOL_01_008121,NCC1(CC1)NC(=C)C2CC(Cc3ccccn3)CN2C(=C)C4(CC4)c5ncc(Cl)cc5F -MOL_01_008122,Fc1ccc(cc1)N(C2N)CCn(c23)nc(c3C)CCc4ccccc4 -MOL_01_008123,CCCc1ccccc1NC(=O)C(c2ccccc2)CC(=O)c3cnc(C)cn3 -MOL_01_008124,CC(O)c1ccc(cc1)-c(n2)nc(CCCON)c(c23)ncn3C(C)C -MOL_01_008125,Cc(c1)ccc(c12)n3c(CC2)c4c(n3)cc(cc4)C(N)N5CCCCC5 -MOL_01_008126,c1ccccc1COC(=N)C2=C(C)N(CCCCCC(=N)O)C(=N)NC2c(c3)ccc(c34)cccc4 -MOL_01_008127,Nc(c1)c(N)cc(c12)c(O)c3c(n2C(C)C)ncc3O -MOL_01_008128,c1ccc(c12)n3c(c2)c(O)n(nc3CC)CC(O)NCc4cccnc4 -MOL_01_008129,Oc1cnc(cc1)C(=C)Nc2ccc(C)c(c2)C3(O)N=C(N)CCC3(C)C -MOL_01_008130,CCCC(=O)c1cnn(c1C(F)(F)F)-c2ccc(cc2)-c3cn(cn3)-c4cc(CN)cc(c4)CN -MOL_01_008131,COc1ccc(cc1OC)-c2c(c(N)nn2C(N)OC)-c3cc(OC)c(OC)c(c3)OC -MOL_01_008132,NC(N)c1ccc(cc1)-c2c(O)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_008133,CNc1ccc(NC)c(c1)CCC(N)c2cc(CCC(N3)(C)C)c3c(c24)CCC(N4)(C)C -MOL_01_008134,CCc1cccnc1Nc2ccc(F)c(c2)C3(CF)CC(C(F)(F)F)CC(=N3)N -MOL_01_008135,NCCC(=O)C1=C(N)CC(=O)CC1c2c(N)nn(c2Cl)-c3ccccc3 -MOL_01_008136,CCCC(=C)C1=C(C)NC(CN)N(C1c2ccc(C)cc2)CC(=C)c3ccc(CN)cc3 -MOL_01_008137,c1cc(Cl)cc(c12)CC(C(=O)O)CC2C3=CCCN(C3=O)c4ccccc4 -MOL_01_008138,CCc(c1F)c(CC)cc(c12)c(N)nc(n2)N3CCN(CC3)C(O)CC(NC)c4ccc(CN)cc4 -MOL_01_008139,CCCN1C(=O)C(C)Cc(c12)cc(C)c(c2)N(C3=O)C(=O)c(c34)cccc4 -MOL_01_008140,C=C(O)c1ccc(cc1)NC(N)C(N)c2cn(c(c23)cccc3)Cc4ccc(F)cc4 -MOL_01_008141,CCC1CCCN1Cc(c2)ccc(c23)n(c(=C)c3=C)Cc4nnnn4Cc5ccccc5 -MOL_01_008142,ClC1=C(Cl)C=C(C1=2)C=C(N2)C(=O)NC(C(=O)N3)Cc(c34)cccc4 -MOL_01_008143,c1cccc(c12)n(N)c(c2C)-c3cc(on3)-c4ccc(ON)cc4 -MOL_01_008144,c1ccccc1-c(c(c23)CCCC2)nc(c3CN)CCC(=O)C -MOL_01_008145,CCCCC(C(=O)C)CC(=O)CC(C(=O)C=1)=C(C)c(c12)cc3=C4C(=Cc3c2C)CCCC4 -MOL_01_008146,c1ccccc1-n(c(n2)N)c(c23)c4c(cc3N)ccc(c4)-c5ccncc5 -MOL_01_008147,Cn1cc(cn1)Cc2nccc(n2)-c3cnc(c(c3)CN)C4CCC(O)C4 -MOL_01_008148,CCN(C)C(N)CC1CCN(CC1)c2ncnc(C)c2CCc3ccc(N)nc3 -MOL_01_008149,ClC(Cl)(Cl)C(C)(O)c1ccc(nc1)-c2ccc(nc2NC3CC3)Cc4ccc(N)nc4 -MOL_01_008150,CC(C)C(=O)c(n1)cc2c(Cl)nc(Cl)c(c2c13)C(C3=O)C -MOL_01_008151,CCc1cccc(c12)c(C)cc3n2c(nn3)CCC(=O)Nc4ccc(C)cc4 -MOL_01_008152,CC(=O)N1CCc(c12)cc(cc2)CNC(Cc3ccccc3)C(=O)Nc4ccc(C)cc4C -MOL_01_008153,c1cccc(c12)C(CCN2C(=O)C)NC(=O)CC3C(=O)NC=CN3Cc4ccc(C)cc4 -MOL_01_008154,c1ccc(c12)nc(n(c2O)CC)CCC(O)N3CCCCC3C -MOL_01_008155,COc1cccc(c1)CNc2cc(cnc2C)CCc3c(C)ncnc3N4CCOCC4 -MOL_01_008156,c1ccccc1C2C=C(C(=O)N2C(C)(C)C)CC(=O)N3CCC(CC3)N(C(=O)N4)Cc(c45)cccc5 -MOL_01_008157,Cn1ncnc1CCc(c(c2)C3CCCC3)nn(c24)c(nn4)-c5ccccc5 -MOL_01_008158,Cc1ccccc1C(C=2CN)CC(=O)N(C23)CN(CC3)Cc4ccco4 -MOL_01_008159,COc1ccc(cc1)C2(C(F)(F)F)CC(N)C(CN)=C(C2(F)F)c3ccc(C)cc3 -MOL_01_008160,c1cc(F)cc(C(=N)C2)c1OC23CCN(CC3)C(=N)C4(CC4)c5ccccc5 -MOL_01_008161,Fc1ccc(cc1)Cn(cn2)c(c23)c(nnc3C)N4CCN(CC4)c5cccc(Cl)c5 -MOL_01_008162,Clc1ccc(cc1)CN(C)CC(CN(C2=O)C(C)C)Cc(c23)c(ccc3)NC(=O)c4cn(C)cn4 -MOL_01_008163,c1ccccc1-c(c(c23)CCCC2)nc(c3CN)CCC(C)O -MOL_01_008164,c1cccnc1-c2nnc(n2CC)CCC(=O)NC3CCCC3 -MOL_01_008165,c1ccnc(C(=O)C2)c1C23CCC(CC3)C(=O)Nc4ccn(n4)-c5ccccc5 -MOL_01_008166,C=C(N1)CCc(c12)ccc(n2)CNC3CCN(CC3C)CCN4C(=C)C=Nc(c45)ccc(c5)CN -MOL_01_008167,c1cncc(c12)N(C=C(C2=C)C(=C)C)Cc3ccc(cc3)-n4nccc4N -MOL_01_008168,Cc(n1)ccc(c12)ncn2-c3cccc(N)c3N -MOL_01_008169,C1CC1NNC(C(F)(F)F)(CC(=N)N2)c(c23)cc(cc3)-c4ccccc4 -MOL_01_008170,c1ccnc(c12)cccc2NC(=N)C3(C)CCN3C(=N)CCc4ccccc4 -MOL_01_008171,C1CCCc(c12)c(CN)c(n3c2nnc3)CCC(N)c4ccccc4 -MOL_01_008172,Nc1c(C)cn(c12)c(ccn2)-c3ccc(N)cc3 -MOL_01_008173,Cc1cccc(C)c1-n2ccnc2C3(C)CCC(N)N3CC4CCCCC4 -MOL_01_008174,NCc1cccnc1Nc(c2)ccc(CC3)c2C4(C35CCC5)CCC(=N4)N -MOL_01_008175,c1cccc(c12)c3c(CN2CC)cnc(n3)CCC(=O)Nc4cccc(C(F)(F)F)c4 -MOL_01_008176,CCn(n1C)n(CC)nc(n12)C(C)N(CC2)c3nn(C)n(CC)n(CC)n3C -MOL_01_008177,Fc1cc(F)ccc1C(C)(Cn2cncn2)CN3CCC(CC3)n4cnc(c4)-c5ccccc5 -MOL_01_008178,CC(=O)Nc1ccc(cc1)-c2ccnc(c23)CC(C3)C(=O)Nc4cccc(C(F)(F)F)c4 -MOL_01_008179,CCc(c1)ccc(c12)C(CCC2O)c3nc(C)nc(c34)cccc4 -MOL_01_008180,c1ccnc(c12)nc3c(c2C)C4CC(C3)N=C(C4)N -MOL_01_008181,O1COc(c12)ccc(c2)C3Cc(c4C(=C35)CCCC5N)ccc6c4cccc6 -MOL_01_008182,CC(C)(C1)C(=O)N(C)c(c12)cc(CC)c(c2)Nc3ncc(Cl)c(n3)NC -MOL_01_008183,O=C(N1)CCc(c12)ccc(c2)CNC(=O)C(N=3)=NC(=O)C(C34)=C(C=C4)C5CCCCC5 -MOL_01_008184,c1cnccc1C(C=2)=CC(C23)=C(C=NC3=O)c4cccc(Cl)n4 -MOL_01_008185,Nc1ccc(cc1N)C2CC(C)=Cc(c23)n(C(C)C)nc3N -MOL_01_008186,COc1ccc(cc1)C2CC(=O)N=C(C2=3)C(=NC3)c4ccc(C)cc4 -MOL_01_008187,OCc1ccc(cc1)CCc2cn(cn2)CCCN(C(O)C3O)c(c34)ccc(F)c4 -MOL_01_008188,NCc1ccc(cc1)Cn2cc(c(c23)cccc3)C(N)C(N)Nc(c4)ccc(c45)nccc5 -MOL_01_008189,NCc1c(CN)cccc1CNC(=C)CCCN2C(=C)C(Cc(c23)cccn3)c4ccccc4 -MOL_01_008190,Nc1ncc(cc1)CCc2c(ncnc2C)N(CC3)CCC34CCCCC4 -MOL_01_008191,C1OCC(N)NC1(C(C)C)c2cc(ccc2C)NC(=O)c3ccc(cn3)C(C)C -MOL_01_008192,Cc1cnc(cn1)CNc(n(C)c2N)nc(c23)cc(c3)-c4ccccc4C -MOL_01_008193,Cc1ccccc1-n2ccnc2CCC(=O)c3c(C)n(C)c(=O)n(C)c3=O -MOL_01_008194,NCc1ccc(cc1C(=C)C)-n2cncc2-c3cc(CN)c(CN)c(c3)CN -MOL_01_008195,c1ccc(c12)n3c(c2)c(N)n(nc3CC)CC(N)N4CCN(CC4)c5ccccc5 -MOL_01_008196,C1CC1c2cnc(cc2)-n3nc(CCN)c(c3N)Cc4cc(Cl)cc(Cl)c4 -MOL_01_008197,Cn1nc(C)cc1C(=C)NC2=CC(=NN(C)C2=C)CCC3CC3c4ccc(cn4)CN -MOL_01_008198,CN(C)NC(=O)CC(=O)c1cn(CCC)c(cc1=O)C(CC(=O)C)c2ccccc2 -MOL_01_008199,CCc1cccc(c1)-c(c(c2=O)CN)nc(n23)CCC3 -MOL_01_008200,CC(C)OC(=O)c1cc(ccc1Cl)CC2(CC2)C(=O)CC(C=3)=Nc(c34)ccc5c4=CN=N5 -MOL_01_008201,CCc1ccccc1CC(=C)CCc2cn(c(c23)cccc3)CC(=C)C(C(N)N)C(N)N -MOL_01_008202,Cc1cc(ccn1)-c(c2)ccc(CC3)c2C4(C35CCC5)CCC(=N4)N -MOL_01_008203,C=C(N1)CCc(c12)ccc(n2)CNC3CCN(CC3C)CCN4C(=C)C=Nc(c45)ccc(c5)CC -MOL_01_008204,Fc1ccc(cc1)-n(nc(c23)CC(C3)=N)c2NC(N)C45CC6CC(C4)CC(C6)C5 -MOL_01_008205,C=C(N)c1c(Cl)c(Cl)cc(c12)n(c(n2)C)Cc3ccc(cc3)-n4cccc4 -MOL_01_008206,Cn1c(N)c(N)c(c12)c(ncn2)Nc3cccc(Cl)c3 -MOL_01_008207,Cc1ccc(c(Cl)c1)NC(=N)CN(C)C(=N)c(c2)ccc(c23)n(cn3)C(C)C -MOL_01_008208,c1ccccc1-c(n2)c(C)nc(c23)cc(nc3C)NC(=O)CCN -MOL_01_008209,NC(=N1)CC(C(F)(F)F)CC1(CF)c2cc(ccc2F)Cc3ncc(Cl)cc3F -MOL_01_008210,Cc1ccc(cc1)C(=C)C2=C(C)C(=C)N(CCCN)C2c3ccccn3 -MOL_01_008211,NCc(c1)c(CN)cc(c12)ncnc2Nc3cc(O)cc(F)c3 -MOL_01_008212,c1cccc(c12)c3c(n2)c(c4c(n3C)cccc4)Nc5ccccc5N -MOL_01_008213,NCN1CCN(CC1)C(=N)c2cn(c(c23)c(N)ccc3)CC4CCCCC4 -MOL_01_008214,c1ccncc1CNC(=C)C2CCC(=C)N(c3ccc(CN)cc3)C2c4ccc(CN)c(c4)CN -MOL_01_008215,c1ccccc1C(=N)c2ccc(NCCO)c(c23)CCC(N3)(C)C -MOL_01_008216,NC1CC(C)(C)Cc(c12)nc(c(c2)CN)N3CCC(CC3)c4ccccc4 -MOL_01_008217,c1ccnc(c12)n(c(O)c2CC(=C)C)Cc3ccc(CN)c(c3)CCO -MOL_01_008218,c1ccccc1-n2n(CC(=N)O)c(C)c(c2=N)Cc3ccccc3Cc4ccccc4 -MOL_01_008219,NC(=N1)CCC12C3(CCC3)CCc4c2cc(cc4)-c5cncnc5 -MOL_01_008220,NCc1ccc(cc1)C(=C)N2CCN(CC2)c(n3)nc(N)c(c34)cc(CN)c(c4)CN -MOL_01_008221,Cn1ncc(c12)c(ncn2)Cc(c3)ccc(c34)n(C)c(n4)NCc5ccc(CN)cc5 -MOL_01_008222,Nc(n1)cc(C(F)F)n(c12)nc(n2)C(=O)Cc3cccnc3Cl -MOL_01_008223,Cn1ncc(Cl)c1-c2cc(ccc2CN)NC(=O)Nc3ccc(F)c(F)c3 -MOL_01_008224,NCc1ccc(cc1CN)CCCC(O)c(c2O)cnc(n23)cc(n3)C4CCCCC4 -MOL_01_008225,CN(C1)C=CC(N12)=C(CN)C(CC2=O)c3c(CN)ccc(c34)cccc4 -MOL_01_008226,COc(c1)c(OC)cc(c12)nccc2Oc(c3)ccc(c34)c(nn4C)CC(O)c5cc(Cl)ccn5 -MOL_01_008227,C1CCNc(c12)c3c(nc2N)cc(cc3CC)CN4CCCC4 -MOL_01_008228,CN1CCC(CC1)Oc(cc(c2)OC(C)C)c(c23)c(ncn3)Cc4c(Cl)ccc(c45)OCO5 -MOL_01_008229,C=1C=Cc(c12)c3c(nc2=C)ccc(C)c3-c4ccc(cc4)CNC(N)N -MOL_01_008230,Cc1ccnc(c1)N2C(=O)CCC2c3c(CN)cccc3CN -MOL_01_008231,c1ccc(c12)n3c(c2)c(N)n(nc3CC)CC(N)NCCCN(CC)Cc4ccccc4 -MOL_01_008232,COc1cccc(c1)N(C(N)N2)C(N)C23CCN(CC3)Cc4ccc(cc4)-c5cccc(c5)CN -MOL_01_008233,Cc1ccccc1-n(c2N)ccc(c23)c4c(c3)nccc4CN -MOL_01_008234,NCc(c1)ccc(c12)c(cn2C(C)C)C(=N)c3cc(CN)c(CN)c(c3)CN -MOL_01_008235,Cn1cccc1Cc2nnc(n2-c3ccc(F)cc3)CCC(N)N4CCCc(c45)cccc5 -MOL_01_008236,Nc1c(C)c(C)nc(n12)ccc2-c3cccc(c3)NC(N)NC4CCCCC4 -MOL_01_008237,NC1CC(CCC1)c(cc2N)n(c(c23)ccc3)Cc4ccccc4F -MOL_01_008238,CCc(n1)ccc(c12)nccc2N3CCN(CC3)CCNCc(n4)ccc(c45)CCC(N5)O -MOL_01_008239,Cc(c1)ccc(NC2=O)c1C23C=NC(=C3)c4ccccc4 -MOL_01_008240,c1ccccc1N(CC(=O)CCN)C(=O)CCc2nc(cc(N)c2CN)-c3ccccc3 -MOL_01_008241,NCc1ccc(cc1CN)-c(cc(c23)nccc3)nc2CCC4CCC(O)C4 -MOL_01_008242,CCCC(C1C)Cc(c12)c3c(nnnn3)c(O)c2C(=O)C -MOL_01_008243,NOc1ccc(cc1)-c2cncc(c23)ccc(n3)C(N)CCc4ccncc4 -MOL_01_008244,Cc1ncnc(c12)n(cn2)C3CN(CCCF)N(C)N3C -MOL_01_008245,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(n3)N(CCCN)C4CCCC4 -MOL_01_008246,CN(C)CC(N=1)=NC(=O)C(C12)=Cc3c2cc(cc3)-c4ccc(cc4)OCCCN -MOL_01_008247,NOCCOc(cc1C(C)N)cc(c12)c(ncn2)CC(CN(C)C)c3cccc(F)c3 -MOL_01_008248,C1=CC=c(c12)c(CN)c3c(c2CN)cc(-c4cccnc4)c(c3=C)CN5CCCCC5 -MOL_01_008249,Cc1cn(C)c(c12)N(C(C)N)CCN=C2c3cccc(Cl)c3 -MOL_01_008250,c1cccc(c12)c(cc(n2)C)C(=O)CCC(=O)Nc3cccnc3Cl -MOL_01_008251,C=C(C)NCC1CC(=C)N(C1)c(cc2)cc(C3)c2N(CCCC4)C4C35C(=C)NC(=C)NC5=C -MOL_01_008252,O=C(C)C1CCCc(c12)c(F)c(cn2)-c3cncc(c3)C4(O)CCCCC4 -MOL_01_008253,c1cccc(c12)NC(CC2N)C3CCN(CC3)Cc4ccccc4 -MOL_01_008254,CC(C)(C)c1cccc(c1)C(=O)Nc(n(n2)C(C)(C)C)c(c23)CC(C3)O -MOL_01_008255,c1ccccc1CCc(c(=N)n2CCCN)nc(c23)cnc(n3)Cc4cccc(Cl)c4 -MOL_01_008256,Cc(c1)ccn(c12)cc(n2)Cn3ccc(c34)c(N)nc(n4)C5CC5 -MOL_01_008257,CCN(CC)CCCNC(=N)c(c(O)c(c12)cccc2)c(=N)n1Cc3ccccc3 -MOL_01_008258,CNC(C)c1ccc(C)c(c1)Nc2nccn(c23)cc(c3C)C(C)CN -MOL_01_008259,Clc1n(C)ncc1C(=C)NC2=CC(=NN(C)C2=C)CCC3CC3c4ccc(cn4)CC -MOL_01_008260,Cc1ccc(cn1)-c2cncc(c2)CCC3(CC(=O)CC3=O)CN(C4=O)Cc(c45)ccc(c5)ON -MOL_01_008261,NCc(c1)ccc(c12)ncc(=O)n2CCN3CCC(CC3)NCc(nc4)cc(c45)CCCC5 -MOL_01_008262,c1cccc(c12)cc(n2C)C(N)C3(CCCCC3)c4cccnc4 -MOL_01_008263,Cc(n1)c(C)nc(c12)ccc(c2)C(=O)N(C3)CCn(c34)c(cc4)C5CC5 -MOL_01_008264,FC(F)(F)Cc1ccc(cc1)N(C(O)C2(C)C)C(O)N2Cc3ccnc(c3)N4CCOCC4 -MOL_01_008265,NCc(c1)cc(CN)c(c12)C=C(c3ccc(CN)cc3)C(=C)N2CCC(=C)CN -MOL_01_008266,c1cccc(c12)CCCN2C(N)CN(C)Cc(n3)nc(N)c(c34)cccc4 -MOL_01_008267,Cc(n1)ccc(c12)ncn2-c3cccc(N)c3C -MOL_01_008268,Cc1cnn(c1)-c2cc(C)c(CCC)cc2CN(CC3)CCC34CC(=O)N(C4)c5ccc(C(=O)C)cc5 -MOL_01_008269,Cc(n1)cc(O)n(c12)nc(c2)N3CCCC3C(O)NCc4ccccn4 -MOL_01_008270,N=C1CCCC(=C12)NC(=C(CN)C2c3ccco3)CCC(=N)c4ccccc4 -MOL_01_008271,Clc1ccc(cc1)C(O)N(CC2)CCC23c4c(NC3O)cccc4 -MOL_01_008272,c1cncn1-c2cccc(c2C)C(C3)CCC(N34)CN(CC4)C(=O)Cc5ccc(nc5)-n6ccnc6 -MOL_01_008273,NCc1ccccc1C(CC2=O)C(CN)=C(N23)C=CN(C3)Cc4ccccc4 -MOL_01_008274,Cn1cnc(c1)-c2cnc(C)c(c2)OC(N)c3c(Cl)ccc(F)c3Cl -MOL_01_008275,C1CCCC12c3c(ncnc3C)C(C2=O)C(C)c4ccccc4 -MOL_01_008276,c1nnnn1-c2ccc(cc2)Cc3c(C)c(ncn3)N(C45)C6CC(C4)N(C(C6)C5)C(O)CC(C)(C)C -MOL_01_008277,CC1CN(CCN1)CC(N)N2CC(C)(C)c(c23)cc(F)c(c3)Cc4ccccc4 -MOL_01_008278,C1CCCc(c12)n3c(c2)nc(cc3N)COc4cccc(C(F)(F)F)c4 -MOL_01_008279,NCc1ccc(cc1)N2C(=C)C(C)=Nc(c23)cnc(n3)NCC -MOL_01_008280,NC(O)c(c1N)ccc(n12)c(CN)c(c2C)-c3ccccc3 -MOL_01_008281,Cn1cncc1-c2nnc(n2C)CCCCN3CCCC(C3)c4ccc(C(Cl)(Cl)Cl)cc4 -MOL_01_008282,c1ccnn1-c2ccccc2C(=C)NCC(C3)Cc(c34)cccc4-c5ccc(nn5)CC -MOL_01_008283,c1cccc(c12)C(CN)c3c(C(=N)C2C)cccn3 -MOL_01_008284,Cc1cn(C)c(c12)CC(N)=C(CN)C2c3ccncc3 -MOL_01_008285,C1CCCCN1c2nnc(n2-c3ccccc3C)CCC(=O)N4CCN(CC4)c5ccccn5 -MOL_01_008286,C1CCCCC1CC(=O)c2c(C)n(c(=O)n(c2=O)CN)Cc3ccccc3 -MOL_01_008287,C=C(C)C(N1)CCc(c12)c(N)cc(c2)N -MOL_01_008288,c1ccccc1C(=N)c(c2=N)cn(c(c23)ccc(c3)OC)CC(=N)Nc(c4)ccc(c45)OCO5 -MOL_01_008289,Cc1ccc(C)c(c1)Cc2cc(nc(n2)C)-n3nc(C)c(CN)c3N -MOL_01_008290,Cc1cccc(C)c1Cc2c(nc(n23)nccc3)-c4ccccc4O -MOL_01_008291,CCCCCC1=C(C(N)=C1N)N2CCN(CC2)c3ccnc(c34)cc(Cl)cc4 -MOL_01_008292,NCc1ccc(cc1)NC(C2O)=C(F)C(O)c(c23)cccn3 -MOL_01_008293,C1OCCc(c12)nc(nc2N)CNC(N)CN(CC3)CCC34CCc5c(C4N)cccc5 -MOL_01_008294,C1CCCC1NC(N)C(CC)n2c(nc(c23)ccnc3)CCc4cccc(C)c4 -MOL_01_008295,Nc(c1)ccc(c12)n3c(c(N)nc3)Cn4c2ncc4 -MOL_01_008296,CCC(=O)c1ccc(nc1)NC2CCN(CC2)c(n3)nc(N)c(c34)cc(CC)c(c4)CC -MOL_01_008297,FC(F)(F)C1(C)CCN(CC1)c2ncnc(C)c2CCc3ccc(N)nc3 -MOL_01_008298,CCC(=O)Cn(c1=O)cc(C(C)C)c(c12)ccn2C(C)(C)C -MOL_01_008299,N/C=C/C(=O)c1cc(C)c(cc1)Nc2ncc(C(F)(F)F)c(n2)Cc3cccc(c34)CN(C4=O)C -MOL_01_008300,CC(=O)c(c1=O)cnc(n12)C(=CCC2C)Cc3ccc(F)cc3 -MOL_01_008301,C=C(C)c(n1)cn(c12)CCC(C2)(N)CCc3ccc(cn3)-c4ccc(F)cn4 -MOL_01_008302,CCCc1c(CN)cc(cc1CN)-c(n2)nc(n23)CC(C3=O)CC -MOL_01_008303,CN(C)C(=O)c1ccc(cc1C)-c2ncnc(CN)c2CCc3ccc(N)nc3 -MOL_01_008304,c1cccnc1NC(=C)C2CCN(CC2)c3c(CN)cnc(c34)ccc(c4)C -MOL_01_008305,CC1(C)CCN2N(N)C(O)C(O)c(c2c13)ccc3 -MOL_01_008306,Nc1cc(ccn1)-c2nnc(n2C)CCCCN(C3)CC(C34)CCN4c5ccc(F)cc5 -MOL_01_008307,c1ccnc(c12)nc(N)n2C3CCN(CC3)C(N)C4(CC4)C(N)N(CC5)CCc(c56)cccc6 -MOL_01_008308,c1cccnc1-c2ncc(C)cc2-c3ccc(C(C)(O)O)cc3 -MOL_01_008309,c1ccccc1C=2C(=NC(C23)=NC=NC3=O)C(=O)c4ccccc4 -MOL_01_008310,COc1cc(OC)c(cc1OC)C(C=2CN)CC(N)C(C23)=CC(=CC3)c4ccccc4 -MOL_01_008311,C=CC(=O)c1ccc(cc1)-c2cn(cn2)C3CC(CO)N(C3)CCc4ccccc4 -MOL_01_008312,C=C(O)c1cnc(C)n1CCCCN2CCN(CC2)c3ccnc(c34)cc(Cl)cc4 -MOL_01_008313,CCCNc1cccc(c12)nc(n3c2nc(c3)N)Cc(c4)ccc(c45)CCC5 -MOL_01_008314,C1CCCN=C1C(=O)N(CC2)C(N)c(n23)ncc3NCc4cccnc4 -MOL_01_008315,C1CCCCN1Cc2ccc(cc2)C(=C)CCCCCn3cnc(c34)c(C)nc(n4)C -MOL_01_008316,CCCCN(CC)CCNC(N)c(c1)cc(c12)c(N)n(CC)c3c2cccc3 -MOL_01_008317,Nc(n1)nc(N)c(c12)c(ccc2)CCC3CCN(CC3)C(N)c4ccc(F)cc4F -MOL_01_008318,C=C(C)C(C1=C)=CC(C2OO2)=C(N13)C(C)=C(C(F)=C3)N(C4)CC(C45)CCO5 -MOL_01_008319,CC(C)(C)NC(O)CCc1n(CC)c(nn1)-c2ccccn2 -MOL_01_008320,Cc1ccccc1-n(c2N)c(C)nc(c23)ccc3 -MOL_01_008321,Cc1ccc(cc1)Cn2nc(-c3ccc(Cl)c(C)c3)cc(c2=N)C(=N)NCCN4CCOCC4 -MOL_01_008322,c1ccccc1N2CN(CCCC)C(O)C23CCN(CC3)CCCC(O)c4ccc(F)cc4 -MOL_01_008323,Cc1ncnc(c12)n(c3c2cccc3)C(N)c4ccccc4 -MOL_01_008324,C=C(C)Nc(c1)ccc(c12)nc3c(n2)N(C)C(=C)N(C)C3=C -MOL_01_008325,CCC(C1=O)=Cc2ccnc(c2c13)c(cn3)CCCC(C)C -MOL_01_008326,c1ccccc1-c(n2)nn(c23)c(cc(n3)N)Cc4ccccc4F -MOL_01_008327,N=C1CCCCn(c12)c3c(c2)cc(N)cc3-c4ccc(N)cc4 -MOL_01_008328,C1CCCCC1C(N)Cn(cn2)c(N)c(c23)c(cc3)-c4ccc(F)cc4 -MOL_01_008329,Cc1ccnc(n1)N2CCN(CC2)c(n3)nc(N)c(c34)cc(CN)c(c4)CN -MOL_01_008330,CCc1ccc(cc1)C2C(C(=N)c3ccc(OC)cc3)=C(O)C(=N)N2CCCNC(=N)OC(C)(C)C -MOL_01_008331,CCCCC1(O)C(O)=Nc(c12)ccc(c2)-c3c(C)noc3C -MOL_01_008332,NC(=N1)CCC12C3(CC3)CCc4c2cc(cc4)-c5cncnc5 -MOL_01_008333,c1cccn(c12)cc(n2)-c3cc(N)n(c3N)-c4ccccc4 -MOL_01_008334,CC(O)c1ccc(cc1C)-c(cn(c23)ccn3)nc2Cc4ccc(ON)c(c4)ON -MOL_01_008335,ONNc(c1N)c(O)oc(c12)nnc2-c3ccccc3 -MOL_01_008336,COc1ccc(cc1OC)CC2NC(c3ccccc3)N(C2=O)c4ccc(C(=O)O)cc4 -MOL_01_008337,C12CCN(CC1)CC2(N)c3ccc(cc3)-c(c4)ccc(c45)nccc5 -MOL_01_008338,CCc1cccc(c12)C3C(CC2)CN(C3)CCN(C4=O)C(=O)N=C(C4=5)C=CC5 -MOL_01_008339,NCc1c(F)ccc(c1C)C(C2)CCC(N23)CN(CC3)C(=O)Cc4ccc(cn4)-n5ccnc5 -MOL_01_008340,CC(C)Cc1nn(C)c(=N)c(c12)c(CCCCO)n(c2)Cc3cccc(c34)cccc4 -MOL_01_008341,c1ccccc1COC(=N)C2(C(=N)N(C)C(C2)(C)C)c3ncc(cn3)CCc4ccccc4 -MOL_01_008342,c1ccc(c12)n(cc(c2O)C(C)O)Cc3ccc(cn3)-c4ccc(CN)nc4 -MOL_01_008343,Cc(n1)ccc(c12)c(ccc2)N3CCN(CC3)CCc(c4)cc(F)c(c45)OCC(C5)=N -MOL_01_008344,CCc1ccc(cc1)Cn2cnc(c23)c(C)nc(n3)C4CCN(CC4)C(=O)c5ccccc5Cl -MOL_01_008345,CCCc1ccc(cc1)CC(N)CCc(nc(c23)ccc3)n(c2N)CNNC -MOL_01_008346,C1CC12CC(C(=O)C)N(C2)C(=O)c3ccc(N(C4)CC4(F)F)c(n3)CCC5CC5 -MOL_01_008347,CC(C)c1ccc(cc1)NC(O)c(c2O)cnc(n23)cc(n3)N4CCCC4 -MOL_01_008348,CCC(C1N)=Cc2ccnc(c2c13)c(cn3)CCCC(C)C -MOL_01_008349,c1ccccc1C2CC(C(=O)N2C)CC(=O)N3CCC(CC3)N(C(=O)C4)Cc(c45)cccc5 -MOL_01_008350,CC(C)C(C1=N)=NC(=N)c(c12)c3c(cc2)C(C)(C)CN=N3 -MOL_01_008351,COCCN1C(=N)C(O)=C(C(=N)c2ccc(C)cc2)C1c3cccc(c3)Oc4ccccc4 -MOL_01_008352,Cc1cccc(n1)-c2ccc(nc2)NCC(CC3)CCC34CC(=O)N(C4)c5cccnn5 -MOL_01_008353,O=c1c(F)cc(cn1C)-c2cnc(C)nc2CCC3CC3c(n4)ccc(c45)cccc5 -MOL_01_008354,CC(O)c1c(O)nc(cc1C)-c(c2)ccc(c23)n(C)c(c3)CN(C)C -MOL_01_008355,c1cccc(c2)c1n(c23)C(O)CC(O)N3CC4CC4 -MOL_01_008356,N=C1CCCCn(c12)c3c(c2)cc(N)cc3-c4ccccc4 -MOL_01_008357,Nc1cccc(n1)CCC2CC(=O)N(C2)c3ccc(c(F)c3)-n(c4)cc(c45)cccn5 -MOL_01_008358,CNc1c(F)cc(cc1CC)C(C2)CCC(N23)CN(CC3)C(=O)Cc4ccc(nc4)-n5ccnc5 -MOL_01_008359,CC1=NC(=O)C(CC(C)C)N1C(=O)CCc2ccccc2 -MOL_01_008360,CNc1ccc(cc1)CCC(N)c(cc(n23)ccc3)c(C)c2C(N)c4ccccc4 -MOL_01_008361,c1ccnc(c12)cc(-c(ccc3F)cc3CN)nc2CCC4CNC(=O)C4 -MOL_01_008362,Cn1cc(cn1)-c(n2)c(C)nc(c23)ncn3C(C)c(c4)ccc(n45)ncc5 -MOL_01_008363,C=C(C)CCc(n1)nc(n12)ccc(c2)-c3cnc(CN)c(c3)CCc4ccc(F)cc4 -MOL_01_008364,Cc1ccccc1NC(=O)CCc2nnc(-c3ccoc3C)n2Cc4ccco4 -MOL_01_008365,CCc1ccc(cc1)-n2ccnc2-c3cnc(nc3C(F)(F)F)N4CCCC4 -MOL_01_008366,c1ccccc1C(=O)NC(C2c(cc3)ccc3F)C(=O)CC(=C24)CCCC4=O -MOL_01_008367,CC1=NC(C)(C)Cc(c12)cc3c(c2)c4c(C3N)cc(N)cc4N -MOL_01_008368,Fc1cnc(cc1)N(CC2)C(N)c(c23)ccc(n3)CCc4cccc(F)c4 -MOL_01_008369,CCOc1cc(C)nc(c12)OCC2CC(N)Cc3cccc(C(F)(F)F)c3Cl -MOL_01_008370,Oc(c1)ccc(c12)oc(O)c3c2c4c(n3)cc5c(c4)OCO5 -MOL_01_008371,c1ccncc1C2C(CN)=C(N)Cc(c23)c4c(cc3)cccn4 -MOL_01_008372,CCC(O)c(c1C(O)O)nc(n12)CCc3c2cccc3 -MOL_01_008373,Cn1ccc(c12)c3c(cc2)c4c(CCC3C)cc(CN)c(CN)c4CN -MOL_01_008374,C=C1C(=C)C(C)Cc(c12)c(n(n2)CN)Cc3ccccc3 -MOL_01_008375,CCC(=O)C1CN=NC1n2cnc(c23)c(C)ncn3 -MOL_01_008376,CCc1ccc(cc1)-c(c2C)nnc(n23)nc4c3cccc4 -MOL_01_008377,CC(C)CC(CO)Nc1nc(nc(c1=2)=NC(=O)C2)CCc3cccc(F)c3F -MOL_01_008378,Cc1ccc(cc1)-c(n2)cnc(c23)ncnc3C -MOL_01_008379,CCc1ccc(cc1)-c(c2)cnc(c23)NCCC(N)C(C3)C4CC4 -MOL_01_008380,c1ccccc1C(C2(C)C)N(C(O)C2)C3CCC(CC3)c4cnc(O)c(c4)-c5ncccn5 -MOL_01_008381,c1ccccc1Cc2ncnc(c23)n(cn3)C(CC4)CCc(c45)cccc5 -MOL_01_008382,c1ccccc1C([N+]([O-])(O)O)c2ccc(cc2)-c3ccccc3 -MOL_01_008383,CC1(C)C(N)C(C)=C(O)c(c12)c(N)cc(c2)-c3ccc(C)c(c34)cccc4 -MOL_01_008384,COc1cccc(OC)c1CCC(N)C(C)(C)C(N)CCc2c(OC)cccc2OC -MOL_01_008385,Cc1ccccc1C(=O)C2=CN=C(C2=3)C(=O)N=C(N3)N -MOL_01_008386,c1cccc(c12)cc(c(=N)n2C(C)C)C(=N)NC(CC34)CC(CC3)N4CCN5CCCCC5 -MOL_01_008387,Cc1ccc(cc1)-c2ncc(C(N)CC(CO)C(C)C)nc2-c3ccc(C)cc3 -MOL_01_008388,Cc1ccc(c(n1)C)CCC(=O)Cn(c2=O)c(C)cc(c23)CC(C(=O)C3)CC4CCC4 -MOL_01_008389,c1cccc(c12)c(c(C(=C)O)c(=O)n2CN)NCCCn3ccnc3 -MOL_01_008390,NCc(c1)ccc(c12)nc(cc2C(=C)CN)-c3ccc(CN)cc3 -MOL_01_008391,c1ccc(c12)c(nn(c2N)C(C)C)-c3ccccn3 -MOL_01_008392,Oc(n1)nc(O)c(c12)C(C(=C(C2)C)CN)c3ccc(F)cc3 -MOL_01_008393,c1cccc(c12)C(=N)N(CCC)C(C2C(=N)O)c3ccc(cc3)OCc4ccccc4 -MOL_01_008394,CCn(c1O)c(O)nc(c12)cc(c2C)-c3ccccc3 -MOL_01_008395,CC(=O)N1CCC(CC1)CCc2c(C(=O)NC)c(nc(n2)CN)NCC(CC3)CCC34CCC4 -MOL_01_008396,c1cccc(c12)C(=N)N(CCC2)CCN3CCC(CC3)N4C(=N)Cc(c45)cccc5 -MOL_01_008397,Cc1nc(Cl)nc(c12)n3c(n2)Cc4c(C3)cccc4 -MOL_01_008398,CC(=O)c1ccc(cc1)CC(C2(NC)NC)N(C2=O)C(=O)CCc3ccccc3C -MOL_01_008399,CCCC(=O)NCC1CC(=O)N(C1)c(c2)cc(F)c(c23)N4C(CC3)CCC4 -MOL_01_008400,Cc1cc(CN)ccc1-c2nccn2-c3cc(CN)c(CN)c(c3)CN -MOL_01_008401,Cc1ccc(cc1)CN2C(=O)c(cccc3)c3Cc(c24)ccc(c4)C(=O)N(CC5)CCC56OCCO6 -MOL_01_008402,NCc1cc(CN)cc(c1)C(O)Nc2ncnc(c23)CCC3 -MOL_01_008403,CCCOc1ccc(cc1OC)-c2nc(nc(O)c2CN)CCc3ccccc3 -MOL_01_008404,NC(O1)(N)Cc(c12)ccc(c2)-c3cncn3CCCC4CC=CO4 -MOL_01_008405,CC(=O)c(c1=O)cnc(n12)C(OOC2C)Cc3ccccc3 -MOL_01_008406,CNc1ccc(cc1)C2(N)NC(N)C(c(c3)cc(NC)c(c34)NCN4)=C2Cc5ccccc5 -MOL_01_008407,NCCCc1cc(Cl)cc(c12)C(N)CC(O2)CCc3cccc(c34)cccc4 -MOL_01_008408,Cc1cc(C)c(c(C)c1)-n2cnc(c23)c(nc(n3)C)CCCCN -MOL_01_008409,CCCc1cc(C(O)CC)cc(CCC)c1OC(C)(C)C(O)O -MOL_01_008410,CC1=CC(=O)C=C(CN)C12Cc3c(C2=O)c(CN)cc(c3Cl)CN -MOL_01_008411,CC(C)(C)CCc(c1)ccc(c1C23CCC(=N2)N)Cc4c3cc(cc4)-c5cncnc5 -MOL_01_008412,CCc1ccccc1CNC(O)c(c2O)cnc(n23)cc(n3)N4CCCCC4 -MOL_01_008413,OCCn1ncc(c12)c(ncn2)CCc3ccccc3 -MOL_01_008414,Cc1cc(ccn1)NC(=O)C(C(O)CC2)c(n23)nc4c3cccc4 -MOL_01_008415,CC(=N)c1cccc(c1)NC(=N)CN(C(=N)N2)C(=N)C2(C)c(c3)ccc(c34)CCCCC4 -MOL_01_008416,c1ccccc1C(C(=N)O)CC(=N)c2cc(nc(c23)cccc3)-c4ccccc4 -MOL_01_008417,NCc(c1)ccc(c12)C(CNC2)c3nc(Cl)nc(c34)nccc4 -MOL_01_008418,CCc(c1)cnc(c12)C(CC)c3c(C(C2=O)C)cccn3 -MOL_01_008419,Nc1cc(ccn1)-c(c2)ccc(c23)ncc4c3n(cn4)C(N)c5ccccc5 -MOL_01_008420,CCc(n1)cc(CC)n(c12)cc(-c(cc3)ccc3CC)c2CC(N)N4CCC4 -MOL_01_008421,CCCC(=O)CCn1c(=O)c(c=2c(c13)cccc3)=CN4N(C2)CCC4 -MOL_01_008422,C1CCN(C12)c3c(CC2)cc(cc3C)N4CC(CC4=O)CNC(=O)CCl -MOL_01_008423,CC(C)c1ncnc(c1C)Cn2cc(C(N)CCCF)c(c23)nccc3 -MOL_01_008424,Cc1c(C)cccc1N2CCN(CC2)C(CC)c3nccn3-c(c4)ccc(c45)OCCO5 -MOL_01_008425,Clc1ccc(cc1)-c2[n+]([O-])cn(C(=O)C)c2-c3ccncc3 -MOL_01_008426,O=C(N1)COc(c12)ccc(c2)C(=Nn(c34)ccn4)C(C3)c5ccccc5 -MOL_01_008427,NCc1c(CN)cc(cc1CN)C2c(c3NC(N24)CCC4=C)cc5c(c3)CCCC5 -MOL_01_008428,Cn1nc(C2CC2)cc1NC(=N)C3(N)CCN3C(=N)Cc4ccc(cc4)-c5ccccc5 -MOL_01_008429,C1CCNC1CC(=C)CCC(=C)c2c(cc(C)cc3)c3nc(c24)[nH][nH][nH][nH]4 -MOL_01_008430,C1CCCCN1C(O)c(nc(n23)cccc3)c2CNCCCn4cnc(c45)cccc5 -MOL_01_008431,CC(C)Cn(c1O)c(O)nc(c12)nc(n2)-c3cnn(c3)Cc4cccc(C(F)(F)F)c4 -MOL_01_008432,Cc1ccc(cc1C)-c(n2)cnc(c23)c(C)ncn3 -MOL_01_008433,c1nc(N)nc(c12)nc(CC(=O)CC(C)(C)C)c(c2)-c3cccc(Cl)c3Cl -MOL_01_008434,n1cccc(c12)C(N)N(c3c(C2)ccc(c3)C)CC(N)NCc4ccc(CN)cc4 -MOL_01_008435,CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=NN=C(C3=4)C=C(C4)C(=O)NC(C)(C)c5ccccc5 -MOL_01_008436,Nc1ncnc(c12)cc(cc2)-c3ccc(cc3)CC(N)C4(CCC4)C(N)Cc5cccc(F)c5 -MOL_01_008437,C=C(N1)C=Cc(c12)ccc(n2)CNC3CCC(CC3)C(=C)Nc4ccnc(c45)ccc(n5)CN -MOL_01_008438,c1ccccc1C(c2ccc(Cl)cc2)NC(=N)CNC(=N)c3ccccc3 -MOL_01_008439,Nc1ncc(cc1)CCc2c(ccnc2CC)-c3ccc(c(F)c3)C(=N)N(CC45)C(C4)CN5C -MOL_01_008440,OCCCC(O)c(c1O)c(O)nc(c12)cc(cn2)Cc3ccc(F)cc3C(F)(F)F -MOL_01_008441,NCc1ccc(cc1CN)-c(n2)cnc(c23)ncnc3NC(O)C4CCCCC4 -MOL_01_008442,Cc1ccc(C)c(c1)CNC(O)c(c2O)cnc(n23)cc(n3)N4CCCC4 -MOL_01_008443,C1CCc(c12)cc3c(c2)nc(C)c(c3)CN(C4CCCCC4)Cc5nccn5CC6CCNC6 -MOL_01_008444,Cc1ccc(cc1)-c2cc(C)c(CN)c(c2)C(=O)NC3CCCCCC3 -MOL_01_008445,NCc1ccc(cc1)-c2cc(C)c(CN)c(c2)C(=O)NC3CCCCCC3 -MOL_01_008446,CCC(=C)c1cccc(c1)NC(=C)C2(N)CCN(CC2)c3ccnc(n3)N -MOL_01_008447,c1ccccc1CC2CCC(=O)N2c3ccnc(n3)NC4CCCC4 -MOL_01_008448,CCc1ccccc1N2CCN(CC2)CCn(c3N)c(N)nc(c34)ccc4 -MOL_01_008449,FC1(F)CCC(C)=NC1(N)c2cc(ccc2F)CC(O)c3ccc(cn3)CN -MOL_01_008450,c1ccccc1C(=C)CC2=C(C(=C)CC)N=C(N(C)C2=C)C(N)(N)NC(=C)C(=C)N(CN)CN -MOL_01_008451,c1ccccc1C(C)Nc2nccc(n2)N3C(=O)CCC3Cc4ccccc4 -MOL_01_008452,Cc1ccc(cc1)C(=C(CN)C(=N)N2)CC2(C(C)(C)C)c3ccc(cc3)Oc4ncccn4 -MOL_01_008453,C1CCc(c12)cc(c(Cl)c2)CCC(O)N(CC3)CCC34C(O)NCN4c5ccccc5 -MOL_01_008454,C1CC1CC(N)N(CC2)CC23c4c(CCC3)cnc(n4)-c5cccnc5 -MOL_01_008455,c1cccc(c12)cc(n2CC)C(=N)Cc3ccc(cc3)Cn4nc(C)c(c4C)CC(=N)O -MOL_01_008456,CC1=NCC(N)=NC1(C)c2cc(ccc2C)NC(=N)c3ccc(cn3)CN -MOL_01_008457,CN1CCN(CC1)CCCc2ccc3C(=N)c(cccc4)c4c(c3c25)ncc5 -MOL_01_008458,Cc1ccc(cc1)-c2c(N)c(C(C)C)c(C(C)C)c(c2C(C)C)OCC(N)CC(N)CC(=N)N -MOL_01_008459,OCCCCc(c1)cc(c12)c(N)c(cn2C)C(N)NCc3ccc(Cl)cc3 -MOL_01_008460,O=C(N1)CCc(c12)ccc(c2)C(=Cn(c34)cnn4)C(C3)c5cccc(F)c5 -MOL_01_008461,NCc(c1)cccc1-c(c2CCC(O)N(C)C)ncc(c23)cccc3 -MOL_01_008462,c1ncccc1-c2ncn(c23)CC(CCC3)CNCC4CCCCC4 -MOL_01_008463,CN(C)C(=O)CCC(=O)NC1CCC(CC1)CCN2CCN(CC2)c3nccc(c34)CCC4 -MOL_01_008464,CC(C)C1CCC(=O)N1c2nc(ncc2C)NC(C)c3ncc(Cl)cc3Cl -MOL_01_008465,CCc1c(CN)c(c(C(=N)O)n1C)-c2ccc(cc2)-c3ccccc3C -MOL_01_008466,Cc(n1)ccn(c12)cc(n2)Cn3ccc(c34)c(N)nc(n4)C5CC5 -MOL_01_008467,c1cccc(c12)cccc2C(C(=C)N3CN)Cc(c34)cc5c(c4)CNC5 -MOL_01_008468,C1CC1CN2C(=C)C(=C(C)C(C23)CCC3)C(N4)=NCc(c45)cc(cc5)NCN -MOL_01_008469,Fc1ccc(cc1)CNC(=C)C2=C(C)C(=C)N(C)C(=N2)C3(N)CN(C(=C)N)CCN3C -MOL_01_008470,Nc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)CCCNc4ccnc(n4)N -MOL_01_008471,C=C(O)c(n1)cn(c12)CCC(C2)CCc3cccc(n3)-c4ccc(F)cc4 -MOL_01_008472,NCc1c(CN)cc(cc1CN)-c2nccc(c23)cc4c(c3)CCCC4 -MOL_01_008473,CCCCn1cc(ccc1=O)-c2cnc(N)nc2CCC3CC3c4ccc(cn4)CC -MOL_01_008474,CCc1c(C)nc(N)c(NC(N)C(C)(C)C)c1C(N)c2cc(C)cc(C)c2 -MOL_01_008475,n1cccc(c12)CC(CN)=C(C2)c3c(C)n(nc3)-c4ccccc4 -MOL_01_008476,Cn1c(N)c(N)c(c12)c(ncn2)Nc3cccc(N)c3 -MOL_01_008477,NCc1cc(CN)c(Cl)c(C2)c1C(=N)C23C(C)CC(=N)C=C3CCc4ccccc4 -MOL_01_008478,c1cnccc1-c2nnc(n2CC)CCC(N)NC3CCCc(c34)cccc4 -MOL_01_008479,Cc1ccc(cc1)-c2nc(co2)CCc3nc(N)c(CN)c(c3CN)-c4ccc(O)cc4 -MOL_01_008480,COc1cccc(c1)CC(=C(N)C2)C(N)OC2(C3CCCC3)CCc4ccc(c(F)c4)C(C)(C)CN -MOL_01_008481,CC(=O)c1ccc(cn1)NC(=O)c(nc(c23)cccc3)c(n2)Cc4ccc(F)cc4C -MOL_01_008482,c1cc(N)cc2c1n(c(c23)NCN(C)C3)CNc4ccc(CN)cc4 -MOL_01_008483,c1cccc(c12)CC(C)N2C(=N)CN(C(=N)N3)C(=N)C3(C)CCc4ccccc4 -MOL_01_008484,CC(=O)Cc1c(N)nn(c1N)Cc2ccc(cc2)NC(=O)c3ccc(Cl)c(Cl)c3 -MOL_01_008485,Cc1ccc(nc1)N(C2N)CCc(n23)nc(c3)CCc4ccccc4 -MOL_01_008486,Clc1ccc(cc1)-n2c(cnc2C)-c3c(N)ccc(N)c3N -MOL_01_008487,CC(C)Cn(c1N)c(N)nc(c12)nc(n2)-c3cnn(c3)Cc4cccc(C(F)(F)F)c4 -MOL_01_008488,CCCc1ccccc1CNC(C)c(c2C)cnc(n23)cc(n3)N4CCCCC4 -MOL_01_008489,N=c1n(C)c(=N)nc(c12)n(c3c(c2)cccc3)Cc4ccccc4 -MOL_01_008490,CCCc1ccccc1-c(n2)nc(C)c(c23)nc4n3cccc4C -MOL_01_008491,c1ccnc(c12)CCCC2C(=O)NC3(CC3)c4ccc(Cl)cc4Cl -MOL_01_008492,c1ccccc1CC2CCC(=O)N2c3ccnc(n3)NC4CC4 -MOL_01_008493,NCc1c(CN)cc2CCNc(c2c13)ccn3 -MOL_01_008494,Cc1nn(C)c(c12)c(C)nc(n2)-c3ccc(cc3)CCCCN(C)C -MOL_01_008495,Fc1ccc(F)c(c12)n(cc(c2=N)C(=N)O)Cc3ccc(cc3)-c4ccccc4 -MOL_01_008496,Clc1ccccc1C2(O)CCN(CC2)C(N)c3ccc(c(F)c3)NCc4cccc(c45)cccn5 -MOL_01_008497,c1ccncc1C(C(=N)NC(C)(C)C)N(C(=N)c2ccco2)C34CC5CC(C3)CC(C5)C4 -MOL_01_008498,CCc1nccn1CCCCc2ccc(cc2C(F)(F)F)-c3cccc(n3)CN -MOL_01_008499,c1cccc(c12)NC(=O)C2(C)c3ccccc3CN -MOL_01_008500,CC(C)(N1)CCc(c12)c(NC)c(c(N)c2CCC(C)C)C(N)C(N)c3ccc(N)cc3 -MOL_01_008501,Clc1ccc(cc1)NC2(CCC2)C(=O)NC(C=3)=Nc(c34)ccc5c4=CN=N5 -MOL_01_008502,NCCc(nn1C)c(c12)ncn(c2=O)-c3cccc(Cl)c3 -MOL_01_008503,C1CCCCN1C(=O)c2c(N)n(C)c(N)c2CCc3c(Cl)cc(CN)cc3CN -MOL_01_008504,CC(=O)c(c1)cn(c12)c(=O)c3c(n2CC)ccc(Cl)c3 -MOL_01_008505,C=C(O)c(n1)cn(c12)CC(CC2)CCc3cnc(cn3)-c4ccc(C(F)(F)F)nc4 -MOL_01_008506,c1cccc(c12)CC(N2C(=C)CN)C(=C)NCCc3ccc(CN)cc3 -MOL_01_008507,CCCC(O)c1c(C)c(c(C)n1CC)C(O)NCc(c2)ccc(c23)CCC3 -MOL_01_008508,c1cccc(c12)C(N)CCN2C(=N)C3CCCN3Cc4cc(Cl)ccc4Cl -MOL_01_008509,CCCCCn1c(=N)c(cc(c12)cccn2)C(=N)NC3CCC(C)CC3 -MOL_01_008510,Cc1cccc(C)c1C(=N)NC(C(=N)O)Cc2ccc(cc2)-c3c(C)n(C)c(=N)n(C)c3=N -MOL_01_008511,c1ccc(c12)n3c(c2)c(N)n(nc3CC)CC(N)NCC(C)c4ccccc4 -MOL_01_008512,c1ccnc(N=N2)c1n(ccc3)c3C24CCCC4 -MOL_01_008513,Cc(n1)cc(C)c(c12)cc(cc2CN)-c3cccnc3 -MOL_01_008514,CCCN(C)c1ncc(Cl)c(n1)N2CCC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_008515,Cc1ccc(F)cc1-c(c2)cc(c23)nc(n(C)c3N)NCCNC(C)N -MOL_01_008516,CCNC(=O)NCC(=O)N(C)c1ccc(Cl)c(c1CN)CCc2cccc(c23)ccc(n3)C -MOL_01_008517,CC(O)CCCCCn1nc(C(O)CC)nc1-c2cn(cn2)Cc(c3)ccc(c34)cc5c(c4)cccc5 -MOL_01_008518,CN1C=C(CN)C(=CC1=C)c2cnc(C)nc2CCC3CC3c4ccc(cn4)CN -MOL_01_008519,C1CCCCC1NC(=O)CN2C(=O)C(C)(C)Cc(c23)ccc(c3)C(=O)NC4CCCC4 -MOL_01_008520,CCCn(c1=C)c(=C)nc(c12)nc(n2)-c3ccc(cc3)CN4CCN(CC4)Cc5ccc(CC)cc5 -MOL_01_008521,CCc1ccc(cc1)C(=N)CCC(=N)c2c(N)n(CC(C)C)c(=N)n(C)c2=N -MOL_01_008522,C1CC(=O)N(C1=2)C(N)=C(CN)C(C2CN)c3ccc(Cl)cc3Cl -MOL_01_008523,CC(C)(C)CC(=O)N(C)CC(C1)C(C)CN(C(C)C)C(=O)c(c12)cccc2NC(=O)c3ccccc3 -MOL_01_008524,NCc1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc(c34)CNC4 -MOL_01_008525,NCc1ccc(cc1)-n(c2O)cnc(c23)cc(c3)-c4ccccc4 -MOL_01_008526,Nc1nccc(n1)-c2c(N)nc(n23)c(N)ccc3 -MOL_01_008527,c1cccn(c12)nc(O)c2C(N)Cc3c(F)c(F)c(c(F)c3F)-c4ccccc4 -MOL_01_008528,Cc(c1)ccc(c12)nc(CCCN(C)C)c(c2)-c3ccccc3CN -MOL_01_008529,C1CC(N)N(C)c(c12)ccc(c2)-c3cncc(c3)CC(N)Cc4cccc(Cl)c4 -MOL_01_008530,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(n3)N(C4(C)C)CCCC4 -MOL_01_008531,C=C(N)CCc1nnc(n12)c(C)cc3c2cc(CN)c(c3)CN -MOL_01_008532,CC(C)n1cnc(c12)c(nc(n2)C(C)(C)CC)Cc3ccnnc3 -MOL_01_008533,OCc1ccc(cc1)CCc2cn(cn2)CCCN(C(O)C3O)c(c34)ccc(Cl)c4 -MOL_01_008534,CCc1cc(F)cc(c12)C(C(N)(N)N)(CC(=C2)O)NNC3CC3 -MOL_01_008535,NCc(c1)c(CN)cc(c12)c(cn(c2=N)CC(C)C)C(=N)N(C)c3ccc(CN)cc3 -MOL_01_008536,CC(=O)N1CCC(CC1)c2nnc(n23)c(ccc3)Cc4cccc(Cl)c4C -MOL_01_008537,Nc1ccccc1-n2c(cnc2N)-c3c(N)cccc3N -MOL_01_008538,C=C(C)C1NCN(CN1)C(=C)C(C(N)N)CC(=C)N(C(C(N)N)C(=C)C2)c(c23)cccc3 -MOL_01_008539,c1cccc(c12)c3c(c(N)n2CC)cc(c3)C(N)NCCC(C)C -MOL_01_008540,CCC(C)CC1(CN)CCc2c(CN)c(CN)cc(c2c13)ccn3 -MOL_01_008541,N=C(C1)CCn(c12)nc(c2C)-c3cncc(N)c3 -MOL_01_008542,Fc1ccc(cc1)-c(c2)cc(c23)nc(n(C)c3O)NCc4cccc(CN)c4CN -MOL_01_008543,COc1ccc(cc1OC)CCC(N)CCCn(c2N)nc(C)c(c23)cc4c3cccc4 -MOL_01_008544,NCCCCCn(c(c12)cc(Cl)cc2)cc(c1=N)C(=N)NC34CC5CC(C3)CC(C5)C4 -MOL_01_008545,CCc1ccc(cc1)-c2nn(C(N)N)c(c23)ncnc3C -MOL_01_008546,CC(C)NC(=NC1O)NC12c3c(CC(C2)(C)C)cccc3 -MOL_01_008547,c1ccccc1-c2c(-c3ccncc3)ncn2C(C)C(N)Nc4ccc(cn4)-c5ccccc5 -MOL_01_008548,NNc1c(F)ccc(c1C)C(C2)CCC(N23)CN(CC3)C(=O)Cc4cnc(nc4)-n5ccnc5 -MOL_01_008549,C=C(C)c1ncn(n1)C2CN(N(C)N2C)CCCc(c(c3)CN)cc(c34)CCC4 -MOL_01_008550,Fc1c(F)c(F)c(F)c(c12)C(N)C(=C(F)C2N)N3CCCCC3 -MOL_01_008551,c1ccccc1C(CC)NC2=C(O)C(O)=C2Nc3cccc(c3C)C(O)N4CC(C)C4 -MOL_01_008552,NCCCn1c(O)cc(c12)cc3c(c2)c(ncn3)Nc4ccc(F)c(Cl)c4 -MOL_01_008553,NCc1nccc(n1)N2CC(Cc3ccccc3C(F)(F)F)CC2CN4CCCCC4 -MOL_01_008554,c1cccc(c12)ccc(c2)C(C3c(cc4)ccc4ON)NC(=O)N3c5ccc(ON)cc5 -MOL_01_008555,c1ccccc1-c2ccc(n23)nc(cc3N)CN4CCN(CC4)c5ccc(O)cc5 -MOL_01_008556,CCC(C)(C)n1ccnc1CN2CCN(CC2)c(c(c3)CN)nc(c34)cc(cc4)ON -MOL_01_008557,c1cccc(c12)NNC2(C(C)=N)NC(=N)NNCOc3ccc(Cl)cc3Cl -MOL_01_008558,CCOC(=N)c1cc(-c2ccc(C)cc2)n(c1C)CC(=N)Cc3cccc(c3)C(C)=N -MOL_01_008559,Cc(n1)cc(C)n(c12)nc(n2)C(=O)CCC(=O)N(C)Cc3ccccc3 -MOL_01_008560,CC=1C(C)=Cc(c12)c3c(cc2C)=CC(=N)C(=C3C)CC(=N)CCc4ccccc4 -MOL_01_008561,NCc(c1)ccc(n12)nc3c(c2O)cc(c3)N -MOL_01_008562,CC(=O)Nc1ccc(cc1)-c2ccnc(c23)CC(C3)C(=O)NCc4cccc(Cl)c4 -MOL_01_008563,CCCC(O)Cc(n1)ccc(c12)ncc(n2)-c3cccc(c3)C(C)O -MOL_01_008564,CCc(c1)ccc(c12)CCC(O)N2CCN3CCC(CC3)NCc(n4)ccc(c45)CCC(N5)O -MOL_01_008565,C1CC1c(n2)cc(n23)nc(cc3O)CCC(O)c4ccc(cc4)NC(O)c5ccccc5F -MOL_01_008566,CC(=O)c1cccc(c1)-c2ccnc(c23)CN(N3)C(=O)Cc4cccc(C(F)(F)F)c4 -MOL_01_008567,Cc1ccc(cc1CN)-c(c2)ccc(C3)c2C4(CCC(=N4)N)C5(CCC5)C36CCC6 -MOL_01_008568,c1ccccc1CNc2cncc(c2)-c(c3)ccc(n34)ncc4 -MOL_01_008569,C1=CN(C)C(=C)c(n12)ncc2-c3ccc(C)c(c3)-c4ccc(C)cc4CN -MOL_01_008570,C1CC1NC(=N)c2ccc(cc2)-c3ccc(cc3)Cn4cc(C(=N)O)c(=N)c(c45)cccc5F -MOL_01_008571,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(n3)N(C4(C)C)CCC4 -MOL_01_008572,CCC(C1O)=CC(O)c(c12)c(C)c(C)n2C -MOL_01_008573,CCc(c(Cl)c1)cc(c12)nc(C)c(c2N)-c3ccc(N(C)C)nc3 -MOL_01_008574,NCc1c(CN)cc(cc1CN)C2C(=C(F)CC3)C3=Nc(c24)cc5c(c4)CCC5 -MOL_01_008575,NCc1ncc(n1C)-c(c2)ccc(c23)CC(O)CC3(C)C -MOL_01_008576,NCc1c(CN)c(CN)cc(c12)ncnc2Nc3cccc(Cl)c3 -MOL_01_008577,Cc1cc(CN)c(C)c(c12)C(=O)C3C2CCc4c3cccn4 -MOL_01_008578,C1CC(C)CCC12N=C(c3ccccc3)C(=N)N2CC(=N)Nc4ccc(CN)c(Cl)c4 -MOL_01_008579,CC(C)(C1)C(C)c(c12)cncc2-c3ccc(C(N)(N)N)c(N)c3 -MOL_01_008580,CC(C)(C1)CC(=N)C(=C12)C(C(=C(O2)C)CN)c3cccc(c3)Oc4ccccc4 -MOL_01_008581,c1ccccc1C2(CC)NC(=C)N(C2=C)CC(=C)Nc3ccc(cc3)CNc4ncccn4 -MOL_01_008582,CC1CCN(CC1)c(n2)cc(n23)ncc(c3N)C(N)NCCc4ccc(Cl)cc4 -MOL_01_008583,COc1ccc(cc1OC)C(=N)CC2CCCc(c23)n(nc3)-c4ccccc4F -MOL_01_008584,CCc1ccnc(c12)cc3c2ccn(c3N)-c4ccc(C)cc4 -MOL_01_008585,CCc1ccccc1C(Cc(c23)cccc3)CN(C2)CC(=O)NC4CCCCNC4=O -MOL_01_008586,CC=1C(C)=Cc(c12)c(C)c=3c(c2)C(C)=C(C(=O)C3)CCC(=O)NCCN4CCCCC4 -MOL_01_008587,c1ccccc1-c2nc(CN)c(CN)c(c2)-c(c3)ccc(c34)CCC4 -MOL_01_008588,NCCCCC(=O)CC1C(=O)c(cccn2)c2Cc(c13)ccc(Cl)c3 -MOL_01_008589,CC(=N1)CCC12C3(CCC3)CCc4c2cc(cc4)Cc5ncccc5CN -MOL_01_008590,c1cc(C)cc(c12)C3C(=C(C2)C)C(=O)N(C(=O)C3)Cc4cccnc4 -MOL_01_008591,O=c1ccc(nn1C)C(CCO2)CC23CCC(CC3)CC(O)c(c4N)ccc(c45)C(=O)OC5 -MOL_01_008592,Cc1c(Cl)cccc1NC(N)c(c2)ccc(c23)n(cn3)C4CCCC4 -MOL_01_008593,CCc1ccc(cc1)-c(c(c2=O)CN)nc(n23)CCC3 -MOL_01_008594,Cn1nc(nn1)-c2c(C)cc(C)cc2-c3cnc(c(C)c3)CNC(=O)N(O)C(C)(C)C -MOL_01_008595,NCc(cc1)cc2c1CC(C)(C)C(C3)C23n4ccccc4=O -MOL_01_008596,c1cccc(c12)cccc2CN(C(=CCC3)C34C(=N)OCC)C(=N)C(C4)CC(=N)N5CCCCC5 -MOL_01_008597,c1cncn1-c2ncc(cc2)CC(=C)N(C3)CCN(C34)CC(CC4)c5ccc(CC)c(NC)c5C -MOL_01_008598,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)CCc4cccc(c4)CN -MOL_01_008599,c1ccccc1-n(cn2)c(n23)nc4c(c3=N)c(N)nc5c4cccc5 -MOL_01_008600,NCc1cccc(c1)OC(C2N)=C(C(N)c(c23)nccc3)Oc4cccc(c4)CN -MOL_01_008601,NOc1cccc(c1)Cc(nc(c23)cccc3)c(n2)CCC(=O)N4CCCc(c45)cccc5 -MOL_01_008602,c1cnccc1-c2cn(C)nc2-c3ccc(c(c3)ON)CCc4cccc(n4)N -MOL_01_008603,O=C(N)c1cc(C)cc(c12)Cc3c(C(=O)N2C)cccn3 -MOL_01_008604,NCCc1cc(ccc1)-c2nc(C)c(CN)c(c2)-c3cccc(CN)c3C -MOL_01_008605,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3nc(ncc3F)N4CCCCC4 -MOL_01_008606,c1cccc(c12)CCN(C2)CC(C)CNC(O)c3cc(ncn3)NC4CCC4 -MOL_01_008607,c1cncn1CC(c2ccc(Cl)cc2)CC(=O)N3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_008608,Cn1cc(cn1)-c(c2)cnc(c23)cnn3Cc4cnc(n45)ccc(c5)-c6cnn(C)c6 -MOL_01_008609,NCc1ccccc1CN2C(=O)C(Cn(c23)ccc3)Cc4cccc(Cl)c4 -MOL_01_008610,c1ccccc1-n(nc2C)c(c23)CCC(=O)N3CCCC(=O)NC(C)c4ccccc4 -MOL_01_008611,C=C1CN(C)C2CCc(c3c(c2c14)c(C)c(c4)CN)cc(CN)c(CN)c3CN -MOL_01_008612,C=Cc1c(CN)cncc1CCc2cccnc2-c3ccnn3C(C)C -MOL_01_008613,CCNC(=N)c1cc(n(c12)c(C)ccc2)C(=N)CCc3cc(NC)c(NC)c(c3)NC -MOL_01_008614,NCc1cc(ncn1)Cc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_008615,NCc1ccc(c(N)c1)-c2cn(cn2)-c(c3)ccc(c34)C(=O)CC4 -MOL_01_008616,CCCCNc1nc(C)c(C(N)CCC)c(n1)-c2ccccc2 -MOL_01_008617,Fc(c1)ccc(c12)c(=N)c(cn2CCN(C)C)C(=N)NC34CC5CC(C3)CC(C5)C4 -MOL_01_008618,Cn1ncc(c12)CN(CC2CCC)C(O)c3cccn3C -MOL_01_008619,c1ccoc1-c2cnc(cc2)NC(N)Cn3cnc(-c4ccncc4)c3-c5ccccc5 -MOL_01_008620,N=C(O)CC(=C1C)C(=N)C=c(c12)cc3c(c2)=C(C=C3)c(c4)ccc(c45)cccc5 -MOL_01_008621,c1cccc(c12)N(O)C(=C(N2O)C(C)(C)C)C(=O)c3ccco3 -MOL_01_008622,CC(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3nccc(c34)CCC4 -MOL_01_008623,c1cccc(c12)n(C)c(=O)c(c2C)C(=O)CCOc3ccccc3 -MOL_01_008624,CC(C)CCCN(C)Cc(c1)cc(CN)c(c12)c3c(c(n2)N)CCCN3 -MOL_01_008625,NCc1c(N)c(N)cc(c12)c(nc(n2)O)C3CCCCC3 -MOL_01_008626,NCc1cccc(c1)-c2ccnc(c23)nn(c3N)-c4ccccc4 -MOL_01_008627,C=C(C)Oc1cn(cn1)-c(c(c2)C(=C)C)cc(c23)nc(c(n3)C)C(=C)C -MOL_01_008628,NCCC1(CC1)CCc2cc(cc(c23)nccc3)-c4cc(CN)c(CN)c(c4)CN -MOL_01_008629,Nc1ncnc(c12)c(n3c2cccc3)C(N)c4ccccc4 -MOL_01_008630,Cc1nc(C)nc(C2)c1C(c(c23)c(C)nc(n3)C)c(cc(c45)cccc5)n4Cc6ccccc6 -MOL_01_008631,NCCCCC(=O)c(n1)nnc(c12)c(Cl)c3c(n2)CCC3 -MOL_01_008632,C1NNCC1C(=O)CC2C(=O)c(cccn3)c3Oc(c24)ccc(Cl)c4 -MOL_01_008633,Cc1ccc(cc1)C(N)(N)C(CN)c(c(n2)-n3cccn3)nc(c24)cccc4 -MOL_01_008634,c1ccccc1CN(CC)C(N)CCC(N)Cn2cnc(c23)cccc3 -MOL_01_008635,NCC(N)Cn1cnc(c12)c(nc(n2)C)CCc3ccccc3F -MOL_01_008636,CCOc1ccccc1NC(=N)c2c(C)cc(C)nc2CCC(=N)c3cccc(c3)ON -MOL_01_008637,NCc(c1)c(CN)cc(c12)nc(Cl)nc2Nc3cc(N)ccc3F -MOL_01_008638,c1n(C)ncc1-c(c2)cc(c(c23)cccn3)CCc4ncccc4C(=O)N -MOL_01_008639,c1ccccc1C(C)c(c2)ccc(c23)C=C4C3=NC(=NC4=N)CN(C)C -MOL_01_008640,NCc1nccc(n1)N2CC(CC2CN(CC3(F)F)CC3)Cc4ccccc4C(F)(F)F -MOL_01_008641,c1ccccc1C2(O)CCN(CC2)C(O)c3ccc(c(F)c3F)NCc4cccc(c45)cccn5 -MOL_01_008642,Nc1cncn1CC(C)CCc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_008643,NCCCc1c(C(N)CCN)cnc(n12)nc(n2)CCc3ccccc3 -MOL_01_008644,Fc1ccc(cc1)Cn(cn2)c(c23)nc(nc3C)C4CCCN(C4)Cc5ccc(F)cc5 -MOL_01_008645,CCn1c(C)c(ccc1=O)-c2cnc(C)nc2CCC3CC3c4ccc(C)cn4 -MOL_01_008646,CCCCC(=N)CCc1c(ncc(c12)cccc2)-c3cccc(c3)CN -MOL_01_008647,CCCC(O)C(C(O)CCC)c1nc(C)nc(c12)n(cn2)Cc3ccccc3Cl -MOL_01_008648,Nc1ccc(cc1)C2(O)c(cc(N)c(c3)N)c3C(C24)=NCC4 -MOL_01_008649,NCc1ccccc1NC(=O)c2ncn(c2NC(=O)C(F)(F)F)Cc3ccccc3 -MOL_01_008650,Clc1cc(ccc1)C(N)Cc2ccc(C)c(c2)-c(c3)ccc(n34)nc(c4)CC(C)N -MOL_01_008651,CC1(N)CCN(CC1)Cc2ccc(cc2)C(C)Nc3nccc(n3)N4C(=O)CCC4C(C)C -MOL_01_008652,CCCC(=O)c1cccc(c1)NCc2c(c(C)n(C)c2C)C(=O)N3CCCCCC3 -MOL_01_008653,C1CCCC1NC(=O)C(c(c23)cccc3)N(C(=O)CC2)Cc4ccccn4 -MOL_01_008654,NCCCC(=C)N(CC1)CC12c3c(CCC2)cnc(n3)-c4cccnc4 -MOL_01_008655,c1cccc(c12)CC(=O)N(C(=O)CCN(C)C)N2C(=O)CC3CCCCC3 -MOL_01_008656,O=C(O)CCc1ccc(o1)CC2=NC(=O)C(C2c3ccco3)c4ccccc4 -MOL_01_008657,Cc1ccc(C)c(c1)Cn2cnc(c23)c(O)nc(n3)C4CCCN(C4)C(O)CC(C)C -MOL_01_008658,CC(=O)C(C1=O)=C(C)CC(C12C)Cc3c2c(C)cc(C)c3C(=O)N -MOL_01_008659,NOc(n1)nc(N)c(c12)N=C(c3ccc(Cl)cc3)CC(C2)c4ccccc4 -MOL_01_008660,NCC1CCCN1C(=O)C(N)Cc2ccc(cc2)-c3cn(cn3)Cc4cccc(Cl)c4 -MOL_01_008661,Nc(n1)ccc(n12)nc(N)c2C(=O)NCc3ccccc3 -MOL_01_008662,CCCCCC(=O)CC1C(=O)c(cccn2)c2Cc(c13)ccc(Cl)c3 -MOL_01_008663,NCc1ccc(Cl)cc1C(F)(C(N)N2)c(c23)ccc(c3)C(F)(F)F -MOL_01_008664,CCCc1ccc(cc1CN)C2C(CN)=C(N)Cc(c23)ncnc3C -MOL_01_008665,c1ccccc1C(C(=C23)C(=N)NC(C)(C)N2)Cc4c(C3)cccc4 -MOL_01_008666,Cc1nccnc1C(=O)N2CC(N)Cc(c23)cc(F)cc3 -MOL_01_008667,NCc1ccc(cc1)CCC(C(C)C(N)(N)C2)c(c23)cc(cn3)C(=O)NCc4ccccc4 -MOL_01_008668,CN1CCC(CC1)CCc2c(C(O)NC)c(nc(n2)CN)NCC(CC3)CCC34CCC4 -MOL_01_008669,NCC(=C1O)C(=O)N=C(C1=2)C=C(C)C2c3ccccc3 -MOL_01_008670,N=C1NC(=N)NC(=N)C12C(CC)CC(=N)N2c3ccc(cc3)Cc4ccccc4 -MOL_01_008671,Nc1ccc(n12)C(N3CCCC3)=NCc4c2ccc(Cl)c4 -MOL_01_008672,Cc(c1)cnc(c12)CCCN2C(=O)c3ccc(=O)n(C)c3 -MOL_01_008673,Cc1ccc(cc1)-n2cnc(c2C3CC3)C(N)Nc4cc(C)nn4C -MOL_01_008674,Cc1cc(N)nc(n1)Cc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_008675,Cc1ccccc1C(CC(=N)O)NC(=N)c2ccc(ON)c(n2)-c(c3)ccc(c34)cccc4 -MOL_01_008676,CC(C)C(C)CN(C)Cc(c1)cc(c12)c(N)c(cn2C)C(N)NCc3ccc(Cl)cc3 -MOL_01_008677,COc(c1C)cc(O)c(c12)CCCC(c3nc(C)no3)\N=C(C)\COC2=O -MOL_01_008678,CCc1ccccc1N2CCN(CC2)C(O)CCCn(c3O)c(O)nc(c34)ccc4 -MOL_01_008679,C=C(N)Nc1ccc(cc1)CCc2nn(CN)c(c23)nc4c(c3)cccc4 -MOL_01_008680,COc1ccccc1N2CCN(CC2)CCn(c3N)c(N)nc(c34)ccc4 -MOL_01_008681,NOc1cc(cc(c1)ON)Nc2nc(nc(c23)cccc3)CCc4ccccc4Cl -MOL_01_008682,NCc(cc1)cc(c12)c(cc(n2)C)N3CC(CC3=O)CNC(=O)C4CC4 -MOL_01_008683,CC(C)n1cnc(c12)c(cc(Cl)c2)C(N)CC(CN34)C(CC3)CC4 -MOL_01_008684,CCC1CCCC1c2nccc(n2)-c(c3N)cnc(n34)ccc4C -MOL_01_008685,CC(C)CC(N)N1CCC(CC1)Cc2cccc(c23)N(CC3)c4ccc(CN)cc4F -MOL_01_008686,C=C(O)c(n1)nnn(c12)c(c(c2)C)-c3ccnnn3 -MOL_01_008687,c1ccccc1Cc2nn(cc2C(C)O)C3(CCN)CN(C3)C(O)CCc4ccccc4CN -MOL_01_008688,NCC(=C1C)CC(C12)NC(=O)C(=C2O)c3cccc(c3)Oc4ccccc4 -MOL_01_008689,Cn1cc(cn1)-c2cnc(cc2NC)Nc3cnc(CN)c(n3)CC4CCNC4 -MOL_01_008690,Cc1c(C)cc(c12)nc(C)n(c2O)CCN -MOL_01_008691,Cn1ncc(c12)c(N)nc(n2)C3CCCC3c4cccc(Cl)c4 -MOL_01_008692,Cc(n1)cc(=O)n(c12)C(CC2)CC(=O)NCCC(c3ccccc3)c4ccccc4 -MOL_01_008693,O1CCCOC12C3(N)c4c(cccc4)C3CCCCCCCCC2 -MOL_01_008694,c1ccc(CN)c(c12)c(=C)c3c(c2=C)CC(CC3C)Cn4cc(nn4)-c5cccc(c5)CN -MOL_01_008695,c1cc(C)ccc1C(N)N(C2(O)c(cc3)ccc3F)C=C(C2)c4ccc(F)cc4 -MOL_01_008696,CCCCCCn(n1)cc(c12)C(N3CCN(C)CC3)Nc4c(N2)ccc(F)c4 -MOL_01_008697,CC(C)(C1)NC(=O)NC12c3c(cc(cc3)CC(=O)C)CC(C2)c4ccccc4 -MOL_01_008698,NCc1cc(CN)c(cc1Cl)CC(=O)Cn(c2=O)nc(N)n(c23)ccc3 -MOL_01_008699,c1cccc(c12)c3c(c2)c(C)nn(c3N)CCCC(N)NCc4ccc(F)cc4 -MOL_01_008700,NCc(cc1)cc(c12)C(C(C)C(C2)(C)C)n3ccnc3-c4ccccc4 -MOL_01_008701,C1CCCN1C(=O)C(N)C2CCC(CC2)NC(=O)CCc3ccccc3 -MOL_01_008702,C1CCCCN1CCn2cc(c(c23)cccc3CC)C(N)N4CCN(CC)CC4 -MOL_01_008703,CCc1cccc(c1)NC(O)CCCn2nnc(c23)c(C)nc(n3)Cc4ccc(F)cc4 -MOL_01_008704,Nc1cc(on1)C(N23)C(NN(C2)NN3)c4ccccc4 -MOL_01_008705,NCCCN1C(=C)N(CC1)C(=C)Nc2ccc(c(n2)C)Cc3ccnc(c3)-c4cnn(C)c4 -MOL_01_008706,c1cccc(c12)c(cc(=O)n2C)CCCCC(=O)Nc3cccnc3 -MOL_01_008707,CCCNCc1ccc(cc1)-c(n2)nc(c23)nc(O)n(c3O)CCC -MOL_01_008708,NCc1c(CN)cc(cc1CN)Nc2nccc(n2)Nc3c(Cl)ccc(c34)CCC4 -MOL_01_008709,NC(N)(N)c(nn1)n(c12)c3c(nc2C)cc(Cl)c(Cl)c3 -MOL_01_008710,Cc1oc(cc1)C(=C(C)N2O)N(O)C(=C23)CCCCC3 -MOL_01_008711,c1ncnn1CC(O)(c2c(C)cc(C)cc2)Cn3cc(N=O)c(c34)cccc4 -MOL_01_008712,Cc1ccc(cc1)C(N)Cc(c2N)cnc(n23)cc4c3CCCC4 -MOL_01_008713,NC(C1)CCC(=O)c(n12)cc3c2cc(cc3)C(=O)Cc4cccnc4 -MOL_01_008714,C1CCCCC12c3c(C(=O)C2)c(=O)n(cc3)CC(O)c4ccccc4 -MOL_01_008715,Cc1ccc(cn1)CCc2c(C)ncnc2-c3ccc(F)c(c3)C(N)N(C)C -MOL_01_008716,CCc(c1)c(CC)cc(c12)ncc(CN)c2Nc3cccc(c3)N(C)C -MOL_01_008717,FC(F)(F)c1ccccc1NC(=O)Cn2c(nc(c23)ccnc3)CCc4ccccc4F -MOL_01_008718,CCn1ncc(c12)CCC(C2CCN)C(=O)c(c3)ccc(c34)CCC4 -MOL_01_008719,CCC(O)c(n1)ccc(c12)c(C)ncc2-c(c3)ccc(c34)C(C)C=C4 -MOL_01_008720,CCCn1cc(c(n1)C)CNC(C)c(n2CC)nc(c23)ccc(c3)C(F)(F)F -MOL_01_008721,CCCc(n1)cc(O)n(c12)cc(C)c2-c3ccc(CN)cc3 -MOL_01_008722,c1ccncc1-c2cnc(cc2)NC(=O)Cn3cnc(-c4ccncc4)c3-c5ccccc5 -MOL_01_008723,CC(F)(F)CCCCC1C(=N)C(Oc(c12)cccc2)CCOc3ccccc3CC(=N)O -MOL_01_008724,CCCCNC(=O)CCC(=O)N1Cc(cccc2CC)c2Cc(c13)nccc3 -MOL_01_008725,Nc1ccc(c(N)c1)Cc2nc(cccc3)c3c(n24)nnc4N -MOL_01_008726,OCc1ccnc(c12)C(C3CC3)c4c(C(C2)O)cccn4 -MOL_01_008727,CC(=N)c1cccc(c12)cc(cn2)-c3cccc(c3)C(N)(N)N -MOL_01_008728,CCCn(c1=C)c(=C)nc(c12)nc(n2)-c3ccc(cc3)CN(CCC)CCC -MOL_01_008729,c1cccc(c12)C(N)(C(N)(N)N)c3c2c(ccc3)-c4ccccn4 -MOL_01_008730,CCCC(=N)c(c1C)c(C)nc(c12)n(C)c3c2cccc3 -MOL_01_008731,C1CCC1C(N)N2CCc(c23)cc(cc3)CC4CCN(CC4)c5ccccn5 -MOL_01_008732,CC(=O)Nc1ccc(cc1)-c2ccnc(c23)CC(C3)C(=O)NCC4CC4 -MOL_01_008733,FC(F)(F)CCOc1ncc(cc1)C(N)CCCc2ccccc2-c3cnc(cn3)ON(F)F -MOL_01_008734,C1C(C2)CC(C3)CC1CC23C(=N)Nc(c(c45)CCC5)n(n4)-c6ccc(ON)cc6 -MOL_01_008735,CC(C=1)=Nc(c12)c3c(cc2)=NC(=C3)CC(N)c(c4)ccc(c45)CCCC5 -MOL_01_008736,CCC(=C)Nc1cc(ccc1Cl)NC(C)(C)C(=C)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_008737,CCCC1=CN=c(c12)c(N)cc=3c2N=NC3 -MOL_01_008738,Clc1cnc(cc1)CCC2(C)CN(C(=O)c3ccc(CN)nc3)CC2c4ccc(Cl)cc4 -MOL_01_008739,c1cccc(c12)nc(CC)c(C)c2C(=O)CCC(=O)CC(=O)c3cccn3C -MOL_01_008740,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3nc(ncc3F)N(C)CC(C)C -MOL_01_008741,C1CC(=O)c(c12)ccc(c2C)C(C3)CCC(N34)CN(CC4)C(=O)Cc5cnc(nc5)-n6ccnc6 -MOL_01_008742,Clc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)-c4cccnc4 -MOL_01_008743,Cc1ccc(c(n1)C=O)CCc2cccnc2-c3ccnn3C(C)C -MOL_01_008744,NCc1cccc(c12)C(O)c3c(N=N2)ncc(c3)-c4ccc(F)cc4 -MOL_01_008745,CCCn1cc(cn1)-c(c2)cc(c(c23)cccn3)CC(C)C4CNC(=O)C4 -MOL_01_008746,CNC12N(N1)C(N(C)N2C)n3cnc(c34)c(C)ncn4 -MOL_01_008747,COc1c(OC)cc(cc1OC)CCC(O)c(n2)cc(n23)C(O)N(CCC3)Cc4ccc(C)cc4 -MOL_01_008748,C1CCCCC1(C)c2cn(cn2)CCCN(C(O)CC3)c(c34)cccc4 -MOL_01_008749,NCc1cc(ccc1)-c2cc(OC)c(cc2)-c3nccc(c34)cc(cc4)CNc5ccncn5 -MOL_01_008750,NCC(C1)Cc(c12)cc(cc2Cl)-c3cncc(n3)C(O)N4CCCCC4 -MOL_01_008751,N1=NC=c(c12)cc(C(=C)C)c=3c2C(=CN3)CCCN -MOL_01_008752,COc(c1)c(OC)cc(c12)CCC(C2)C(N)c3cc(C4CC4)nn3-c5ccccc5 -MOL_01_008753,NCC1CN(CC1)C(=C)c2cc(CN)c(cc2F)Nc3ncc(C(F)(F)F)c(n3)NC -MOL_01_008754,Nc1cc(nc(n1)N)C(N)Nc2ccc(-c3ccccc3)n2-c4ccc(F)cc4 -MOL_01_008755,C1CCC1c2c(C)c(C)c(cc2)-c3cnc(N)c(n3)CN -MOL_01_008756,CCNC(O)Nc1cccc(c1)C(O)c2c(CC)c(C)nc(C)c2N(C)C -MOL_01_008757,n1ccnc(c12)c(C)c3c(c2C)C(=O)N(C3=O)Cc4cccc(c4)-c5ccccc5F -MOL_01_008758,C1CCCN1c(c(C(C)O)c2O)nc(n23)cc4c3cccc4 -MOL_01_008759,CN(C)CC(N=1)=NC(=N)C(C12)=Cc3c2cc(cc3)-c4ccc(N)cc4 -MOL_01_008760,c1cccc(c12)cc(CCCCN)c(n2)-c3cn(cn3)-c4ccc(F)cc4 -MOL_01_008761,CC(C)(C)C(N)Nc1cc(ccc1Cl)NC(C)(C)C(N)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_008762,Cc1cccc(c1)OCc2nnc(n2C)CCC(=O)N3CCc(c34)cccc4 -MOL_01_008763,CCn1c(C)ccc1CCCNc2nc(C)nc(c23)nccc3 -MOL_01_008764,CCOc(c1)ccc(c12)ncc(C(N)OCC)c2CCCc3ccccc3 -MOL_01_008765,NOc1c(Cl)cc(cc1)NC(=N)CCCCCN(C2=N)C(=N)C(N23)Cc4c(C3)cccc4 -MOL_01_008766,CC(C)c(c1)cc(c2c13)CC(CC4CC4)C(C)Cn2c(n3)N -MOL_01_008767,CC(N)C1CCCCc(c12)n3c(c2)nnc(n3)Cl -MOL_01_008768,Cc1cc(C)nc(c1)N2C(N)CCC2c3c(C)cccc3C -MOL_01_008769,CCCC(=C)Cn1cnc(c12)c(nc(n2)C)CCc3ccccc3 -MOL_01_008770,n1cccnc1CC(N)c(c2)ccc(c23)cc4n3CCCCC4N -MOL_01_008771,c1cnccc1C(C(=N)NC(C)(C)C)N(C(=N)c2ccco2)c3ccc(C(C)(C)C)cc3 -MOL_01_008772,Cc1ccc(cn1)C(N)C(CC2)CCc(c23)ncnc3-c4cnn(C)c4 -MOL_01_008773,c1cncnc1-c2cc(=O)n(C)c(n2)CC3CCCN(C3)c4ccccc4 -MOL_01_008774,C1CCCCC1CCc(nc(n2)N)c(c23)NC(N)C(N3)Cc4ccccc4 -MOL_01_008775,NCc(n1)ccc(c12)ncc(Cl)c2CCN3CC(C)C(C3)CNCc(n4)ccc(c45)ccc(=O)[nH]5 -MOL_01_008776,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3nc(ncc3F)N(C)CC(C)(C)C -MOL_01_008777,Clc1cc(ccc1)Cn(cn2)c(c23)nc(nc3C)C4CCN(CC4)C(=O)Nc5ccc(F)cc5 -MOL_01_008778,CCC(=C)Cn1ccnc1-c(c(n2)C)nc(c23)cc(C)c(c3)C -MOL_01_008779,C1CCc(n12)nc3c2cc4c(c3C(=C)O)nc5n4CCC5 -MOL_01_008780,Fc1cc(F)ccc1Cn(nc2C)c(=O)c(c23)c(ccc3)Cc4nc(CN)cc(n4)CN -MOL_01_008781,O1COc(c12)ccc(c2)Cn3c(N)cc(c3C)C(N)CCc4ccccc4C(F)(F)F -MOL_01_008782,Cc(n1)ccc(c12)c(=N)c(cn2CC)C(=N)NCOc3ccccc3C -MOL_01_008783,CC(C)(C)c1cccc(c1)Cc2cnc(nc2)CNC(=O)c(c3)ccc(n34)ncc4 -MOL_01_008784,NNCc(n1)nc(CC2CC2)c(c13)ncn3CC4CC4 -MOL_01_008785,Cc1ccccc1C2NCc(cc(c3N)CN)n3c(c24)ccc(c4)C -MOL_01_008786,Cc(n1)cc(C(C)C)n(c12)nc(n2)C(O)Nc3ccc(C)c(Cl)c3 -MOL_01_008787,c1cccc(c12)C(C)(C)C(O)N(C2O)c3ccccc3F -MOL_01_008788,c1ccccc1C(=O)NC(=CC2=O)N=C3C=C(C4=C23)CN(CC4)Cc5ccccc5 -MOL_01_008789,Cc1ccc(c(C)c1)CNc2cc(cnc2CN)-c(c3)cnc(c34)nccc4-c5cnn(C)c5 -MOL_01_008790,NOc1ccccc1-c2ccc(C)c(n2)C(N)Nc3cnccc3N4CCCC(C)C4 -MOL_01_008791,NCc1ccc(cc1)CN(Cc2ccccn2)Cc3ccc(cc3)C(=O)NC4(CC4)c5ccccc5 -MOL_01_008792,CC(N)Nc1ccc(cc1)C2CCN(CC2)c3nc(N)nc(N)c3Cc4ccccc4 -MOL_01_008793,FC(F)(F)c1cnc(nc1NC)Nc2cc(F)c(cc2CN)-n3ccnc3CCN -MOL_01_008794,CCc1cc(C(O)CC)ccc1-n(c2O)cc(c23)nccc3 -MOL_01_008795,Fc(c1)cc(C(F)(F)F)c(c12)nc(c(c2N)C(C)N)Nc3ccc(F)cc3 -MOL_01_008796,c1cccc(c12)ccc(c2)C(CC34)=C(C(=N)CN)C(CC3)N4C(=N)NC5CCCCC5 -MOL_01_008797,CC(=O)CCCC(=O)c(c1C)ncc(c12)ccc(=O)n2Cc3ccccc3 -MOL_01_008798,NCc1cccc(c1)C(=O)CC2C=CC(N2)n3ccc(=O)n(c3=O)Cc4ccccc4 -MOL_01_008799,CCc1cc(ncn1)Cc2c(C(C)(C)C)ccc(c2F)-c3cnc(N)cn3 -MOL_01_008800,C1CCCN1C(=O)c2cncc(n23)ccc3-c4ccc(CN(F)F)cc4 -MOL_01_008801,Cc1ccc(cc1C)NC(=N)C(c(c23)cccc3)N(C2=N)CCc4ccccn4 -MOL_01_008802,C=C(O)c1c(C)nn(C)c1C(=O)Cc2ccn(n2)Cc3c(F)c(F)cc(F)c3F -MOL_01_008803,NCc(c1)c(CN)cc(c12)nc(nc2N)N3CCC(CC3)C(O)N4CCCCC4 -MOL_01_008804,CNc1cc(NC(C)(C)C)cc(c1C)-c(c2)ccc(c23)NC(CC3)CCC(N)N -MOL_01_008805,CCCC(=O)Nc1ccc(cc1Cl)CC2CC(NC2=O)c3ccccc3 -MOL_01_008806,c1ccccc1Nc2nn(cc2C(C)O)C3(CCN)CN(C3)C(O)CCc4ccccc4 -MOL_01_008807,C1CCCC(C1=2)=c3c(C2)cc=4c(c3)C(C)=C(C(=O)C4)CCC(=O)NCCCn5ccnc5 -MOL_01_008808,CC(N)CCc1ccc(cc1C)C(N)N2Cc(cnn3C)c3Cc(c24)cccc4 -MOL_01_008809,c1cccc(c12)N(O)C(=C(N2O)C(=O)OCC)c3ccccc3 -MOL_01_008810,c1ccccc1CCC(N)N(C2)Cc(c3n(c24)cnc4)cc(cc3)N5CCCCC5 -MOL_01_008811,c1ccncc1-c2cnc(cc2)NC(N)Cn3cnc(-c4ccncc4)c3-c5ccccc5 -MOL_01_008812,Clc(c1)ccc(c12)CC(N)=C(C(=O)CN)C2CC(=O)c3ccccc3 -MOL_01_008813,Cc1cccc(c1)NC(=O)NC(C(=O)N2C)NC(N(CC34)CC(CC3)CC4)c(c25)cccc5 -MOL_01_008814,CC(C)(C)c1ccc(cc1)-c(c(c2=O)CN)nc(n23)C=CC3 -MOL_01_008815,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ncnc(c3F)N(C)C4CCC4 -MOL_01_008816,C1CCCC1Cc(n(c2O)CCC)nc(c23)nc(n3)C4CCCC4 -MOL_01_008817,Cc1cnc(C)c(n1)-c(c2)cc(CN)c(c23)CCCN(C3)C(N)C4CC4 -MOL_01_008818,C=C(O)c1cccc(c1)CCc(n(c2O)C3NN3)nc(c24)ccc4 -MOL_01_008819,Clc1ccc(cc1C)-c2cnc(nc2)C(C)Nc3nccc(n3)N4C(=O)CCC4C(C)C -MOL_01_008820,CC(N)(N)C(C1)Cc(c12)c3c(cccc3)c4c2nc5c(n4)CCCC5 -MOL_01_008821,COc(c1)ccc(c12)CC(C2=O)CC3(CC(=O)CC3=O)CCc4ccc(nc4)-c5cccc(C)c5O -MOL_01_008822,ClCCc(cc1)c(O)n(c12)c(nc2C(N)O)Cc3ccccc3 -MOL_01_008823,NCc1ccc(cc1)C(=O)N(C2CN)Cc(cnc3)n3c(c24)cccc4 -MOL_01_008824,Cc(n1)cc(N)n(c12)nc(c2)N3CCC(CC3)C(N)Cc4c(C)cccc4C -MOL_01_008825,Cc1ccccc1-c2nnc(N)c(CN)c2-c3ccccc3C -MOL_01_008826,C1COCCC1c2cnc(C)c(n2)-c3ccc(cc3)C(N)CC(CF)c4ccccc4 -MOL_01_008827,C1CCCCC1NC(=O)C(c2ccccc2)NC(=O)n3cnc(c34)cccc4 -MOL_01_008828,c1cccc(c12)c(ccc2OC)CN3CC(c(c34)cccc4)C(N)N(C)C5CCN(C)CC5 -MOL_01_008829,OC1CC(C)(C)CC(=C12)CC(N)=C(CN)C2c3cc(CC)c(cc3)CCCN4CCCCC4 -MOL_01_008830,CCCc1ccc(CN)c(n1)CC2CC(=O)N(C2=O)c3ccc(ON)cc3 -MOL_01_008831,c1cnccc1-c2nc(C(F)(F)F)c(cn2)-c3nccn3-c4ccccc4 -MOL_01_008832,Cc1ccccc1C(CC(=N)O)CC(=N)c(c2O)nc(CN)c(c23)cc(cc3)Oc4ccccc4 -MOL_01_008833,c1cccc(c12)C(CC(=O)O)C(C2)NC(=O)C(N=3)=CC(C34)=CC(Cl)=C4 -MOL_01_008834,Clc1ccc(cc1)-c2nnc(n2C)CCC(O)Nc3ncc(C(F)(F)F)cc3Cl -MOL_01_008835,COc1c(C)nc(C)c(N(C)C)c1C(=O)c2cccc(c2)CCC(=O)C -MOL_01_008836,Cc1c(Cl)cc(C(F)(F)F)c(c1F)CC(O)NC2CCc(c23)nccc3 -MOL_01_008837,CNc1ccc(cc1)C(N)CCc2cc(CN)c(N)c(c23)ccc4c3nc(N)cc4C -MOL_01_008838,Cn1cccc1Cc2nnc(n2-c3ccc(cc3)OC)CCC(O)Nc4cc(Cl)ccc4OC -MOL_01_008839,c1nccc(c12)ncn2-c3nc(N4CCN(C)CC4)cc(n3)Cc5c(F)cccc5F -MOL_01_008840,Cc1cncc(c1C)-c(c2)ccc(c23)cc(nc3)CC(N)C4CC4 -MOL_01_008841,NC1(N)CC=CN(C1=2)C(=C)C(C)=C(N2)C(=C)CCc3ccc(F)cc3 -MOL_01_008842,c1ccc(Cl)c(c12)nc(nc2N)CCCN3CCC(CC3)c4ccccc4 -MOL_01_008843,c1ccccc1C(CC)Cc2ncnc(c23)n(cn3)-c4ccccc4 -MOL_01_008844,Cc(c1)ccc(c12)CC(C)CN2C(=O)NNC(=O)Cc3ccccc3Cl -MOL_01_008845,c1ccccc1-n(nc2C)c(c23)CCC(=N)N3CCCC(=N)NCc4ccccc4 -MOL_01_008846,CCc1ccccc1C(N)Cc2cc(C)nn2-c3nc(C)c(CC)c(n3)N -MOL_01_008847,C=C(O)c1ccc(cc1)CCc2nc(C)nc(c23)n(cn3)CCCC -MOL_01_008848,Cc1ccc(cc1)N2C(N)CCC2c(c(n3)C)cc(c34)cccc4 -MOL_01_008849,Cc(c1)cc(c12)nc(n(c2N)CC)NC3CCCC3 -MOL_01_008850,c1ccccc1CN(CC)CCCNC(=N)C(C=2)=CC(C23)=c4c(=NC3=N)ccc(c4)C -MOL_01_008851,CCCC(C1=O)C(=O)Cc2cccc(c2n13)nc3 -MOL_01_008852,NCc1ncc(n1C)-c(c2)ccc(c23)CC(=O)CC3(C)C -MOL_01_008853,C=C(O)c1ccc(cc1)C(=O)CCc2nnc(n2C)-c3cccc(c3)NC(=O)c4ccccc4F -MOL_01_008854,CCC(N(C)C)c1nnc(o1)CCC(=O)Nc2nnc(o2)-c3ccccc3 -MOL_01_008855,CCN(CC)CCNC(=O)C1CN(c(c12)cccc2)Cc3ccc(OC)c(c34)cccc4 -MOL_01_008856,C1CC1(C)C(C2)Cc(c23)c4c(c(c3)CN)c(=O)c5c(n4C)cccc5 -MOL_01_008857,CC(=O)CC1CCC(CC1)c2ccc(cc2)-c3ncn(C)c3CC(=O)CN(N)c4ccccc4 -MOL_01_008858,CC1CCCC1Nc2nc(C)c(C(=C)C)c(n2)-n3ccnc3C -MOL_01_008859,C=C(C)CC(N)C(=C)Nc1cccc(c1)-c2cc(nc(N)c2CN)-c3ccccc3C -MOL_01_008860,CCCn1c(C)nc(c12)c(nc(n2)C)C(CCCN)CCCN -MOL_01_008861,NCCC(C)n1c(C)c(cc1C)C(O)Cn2c(O)cc(c23)cccc3 -MOL_01_008862,Nc1nc(ccn1)-c2cc(CN)c(cc2)CCc3ccc(F)cc3 -MOL_01_008863,c1ccc(c12)nc(N)n(c2N)CCN3CCN(CC3)c4ccccc4Cl -MOL_01_008864,CCCC(O)c1c(C)nc(O)c(CN)c1-c2ccc(CC)cc2 -MOL_01_008865,CC(C)Cc(n1)cc(n12)nc(cc2N)COC(N)c3cccc(c3)CC(N)CCc4ccccc4 -MOL_01_008866,CCc1cccc(c12)CN(c3c(C2)nccc3)C(=O)CCC(=O)NCc4cccc(C)c4 -MOL_01_008867,c1ccccc1CCc2ncnc(c23)n(cn3)CCCN4CCN(CC4)c5ncccn5 -MOL_01_008868,CCc1cccc(c1)-c(c2)cc(c23)nc(n(C)c3N)NCCCN(C)C -MOL_01_008869,CC(=N)c1ccc(cc1)-c2cccn(c2=N)C(CN3CCC(O)C3)c4ccccc4 -MOL_01_008870,Nc1cccc(c1N)-c(n2)cn(c23)c(O)cc4c3cc(Cl)cc4 -MOL_01_008871,Cc1cnc(C)c(n1)-c(c2)cc(CN)c(c23)CCCN(C3)C(O)C4CC4 -MOL_01_008872,c1ccccc1C(C)NC(=O)C(C=2)=CC(C23)=NN=C3NC(=O)c4ccc(cc4)N5CCN(C)CC5 -MOL_01_008873,Cc(n1)nc(C)c(c12)ncn2C3CCN=N3 -MOL_01_008874,C1CC1C(=O)N(CCC2)Cc(c23)cc(cc3CC)-c4nc(N)cnc4N -MOL_01_008875,c1cccc(c12)ccc(c2)C(=C)NCC(N)N(CC3)CCC34C(=C)NCN4c5ccccc5 -MOL_01_008876,Cc1nc(N)cc(n1)N2CCCC(C2)CCc3cccc(F)c3 -MOL_01_008877,n1cccn(c12)ncc2C(N)Cc3cc(Cl)ccc3N4CCCCC4CO -MOL_01_008878,C1CCCN1CC(O)Nc2n(C)nc(C)c2C(O)c3ccccc3F -MOL_01_008879,CCc(c1)cc(c12)cc3n2cnn(c3N)CCCC(N)NCc4cccc(Cl)c4 -MOL_01_008880,FC(F)(F)Cc(c1)ccc(c12)C3C(C2=O)=Nc4c(C3)cncc4 -MOL_01_008881,CCC(=N)c(c1C)c(C)nc(c12)n(C)c3c2cccc3 -MOL_01_008882,Fc1cnc(cc1)NC(=O)c2cc(cn(c23)ccn3)Cc4cncc(F)c4 -MOL_01_008883,c1nccc(c12)CC(=O)Cc3c2nc(nc3)Cc4ccc(O)c(Cl)c4 -MOL_01_008884,C1CC(N)N(C)c(c12)ccc(c2)-c3cncc(c3)CCc4cnc(Cl)nc4 -MOL_01_008885,CCc1ccccc1CC(c(c23)cccc3)N(C2N)c4cccnc4 -MOL_01_008886,c1ccccc1NCCNCc2ccc(cc2)C3CCNCC3NCc(c4)ccc(c45)cccc5 -MOL_01_008887,Cc1cccc(c1)-c(n2)nc(n(c23)nc(c3)N)CCCCOc4ccccc4Cl -MOL_01_008888,NCC(=C)c1c(C)nc(C)c(c12)c(=C)c(cc2=C)NC3CCCCC3 -MOL_01_008889,CCNc1ccc(CN)cc1-c(n2CC)cc(c23)cc(cc3)CN 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-MOL_01_008905,Cc1ccc(cc1)CC(=N)c(c(n2)O)cc(c23)C(=N)CC(C3)c4ccccc4 -MOL_01_008906,Clc1ccccc1-c(c(c2N)CCC(C)(C)N)cc(c23)cc4c(c3N)C=CC(O4)(C)C -MOL_01_008907,CCC(N)CC1CCCc(c12)c(cnc2)-c3ccc(N)c(C)c3 -MOL_01_008908,c1cccc(c12)c(OCC)c3c(c2OCC)CN(C3=N)c4ccc(CC(=N)O)cc4C -MOL_01_008909,CCC1(N)CC(C)(C)c(c12)cc(cc2)-c3ccc(CN)n3C -MOL_01_008910,Cc1ccnc(c12)C(CN)c3c(C(=O)C2)cccn3 -MOL_01_008911,c1ccccc1C(C)N(C(O2)=N)C(=N)C2(Cc3ccccc3)C(=N)NCCc4ccncc4 -MOL_01_008912,CC(C)Cc(n1)cc(n12)nc(cc2N)COC(N)c3ccc(cc3)NC(N)CCc4ccccc4 -MOL_01_008913,Cc1ccc(c(C)c1)C(N2)=NC(n(c23)ncn3)c4c(C)cccc4C -MOL_01_008914,Cc1ccc(cc1)CNc2cc(cnc2Cl)-c(c3)ccc(c34)nccc4NCCON -MOL_01_008915,n1nc(N)n(c12)c(O)nc(N)c2C(O)Cc3cc(Cl)cc(Cl)c3 -MOL_01_008916,CCc1nc(C)nc(C)c1-c2cc(C(=C)C)c(cc2)N(C)Cc3ccc(cc3)C(=O)CN -MOL_01_008917,Nc1c(C)ccc(c12)c(N)c3n2C(N)NCC3 -MOL_01_008918,Cc(n1)nc(C)c(c12)Cc3c(ccc(Cl)c3)N2c4cccc(c4)CN -MOL_01_008919,CCc(c1)ccc(c12)nc(C)c3c2n(nc3N)-c4ccccc4 -MOL_01_008920,CCC(C)(C1)CCc(c12)c(=O)n(c(C)c2CN)-c3ccccc3 -MOL_01_008921,c1cccc(c12)nccc2CC(C)C(N)Nc3ccc(Cl)cc3 -MOL_01_008922,CC(C)N(C1=O)C(N12)CC(=C2C(=O)C)CCc3cncc(c34)cccc4 -MOL_01_008923,Cc1ccc(cc1Cl)CC(N)CCc(n2)nc(N)c(c23)CC(CC3)CCCN -MOL_01_008924,CN(C)c1cccc(c12)c(ccc2)CCCCC(O)N3CCN(CC3)c4ccncc4 -MOL_01_008925,Cc1ccc(cc1)-n2c(nnc2C(C)N(C)C)CCn(c3=O)nnc(c34)cccc4 -MOL_01_008926,c1cccc(c12)C(=N)c3c2ccc(c3)NC(=N)CN4CCC(CC4)N5C(=N)CCc(c56)cccc6 -MOL_01_008927,CCCc1nnnc(n1)C2=CN(C)C(=O)N(N23)N=NN=N3 -MOL_01_008928,Clc1ncnc(c12)n(cn2)C(NC3)CNc(c34)cccc4 -MOL_01_008929,CN1N(C)N(NC)CC(C1CC(=C)N)n2cnc(c2)CCC(=C)c3ccc(CC)cc3 -MOL_01_008930,Cc(n1)cc(C)n(c12)nc(n2)C(C)CCC(C)Nc(c3)ccc(c34)CCC4 -MOL_01_008931,Cc1ccc(cc1)C(=N)Cn2cnc(c2)-c3ccc(F)c(C)c3 -MOL_01_008932,NCCCC(=O)C(C)c1c(N)nc(n12)ccc(c2)C(=O)C3CCCC(=O)C3 -MOL_01_008933,CCCC(F)c1c(c(C)n(C)c1C)CN2CCC(CC2)C(F)Nc3cccc(c3)CN -MOL_01_008934,NCc1ccc(cc1)-n2cnn(c23)c(O)c4c(n3)nnc4 -MOL_01_008935,CCc1ccccc1C(=O)CCCC(=O)N2CC(=O)Cc(c23)cccc3 -MOL_01_008936,c1cccc(c12)c(N)c3c(n2C)c4c(n3)cccc4N -MOL_01_008937,c1cccc(n12)nc(N)c2-c3ccnc(n3)Cc4ccccc4 -MOL_01_008938,CNc1nc(ncc1C)Nc2cc(ON)c(cc2C)C(=O)N3CC(O)C3 -MOL_01_008939,CCCCCn1cnc(c12)c(C)nc(n2)Cc3ccc(cc3)CCCN -MOL_01_008940,CCOc(c1)ccc(c12)nc(N)c(c2)CC3CCCC3c4ccccn4 -MOL_01_008941,c1ccncc1NC(=C)c2nc(cnc2N)-c3ccc(cc3)CN4CCCCC4 -MOL_01_008942,CCCCc(n1)nc(CC2CC2)c(c13)ncn3CC4CC4 -MOL_01_008943,ClN(Cl)Cc1ncc(cc1C)CN2C(=N)CCCC2c3c(CN)cccc3CN -MOL_01_008944,NCc1ccccc1C(CC)Cc2ncnc(c23)c(C(=O)C)ccc3 -MOL_01_008945,n1cccc(c12)c(ccc2C)CC3CNNC3Nc4ccccc4 -MOL_01_008946,Cc1cccc(n1)C2(O)CCN(CC2)C(=O)c3ccc(cc3)NCc4cccc(c45)cccn5 -MOL_01_008947,CCCCCc1cc(C)c(c(n12)ncn2)C(=O)CCC(=O)C -MOL_01_008948,NCc(c1)ccc(c12)cc(NC)c(c2)C(c3ccccc3)C(N)(CCN(C)C)c(c4)ccc(c45)occ5 -MOL_01_008949,Cc(c1)ccc2=NC(=O)C(C3=c12)=CC(=C3)C(=O)NCCc4ccc(Cl)cc4 -MOL_01_008950,c1cccc(c12)cc(nc2C)-c3ccc(C(N)(N)N)cc3 -MOL_01_008951,CCc1ccccc1CNC(=O)C(C=2)=CC(C23)=c4c(=CC3=O)ccc(c4)C -MOL_01_008952,NCc1cc(CN)c(Cl)c(C2)c1C(=N)C23C(C)CC(=CC3=N)CCc4ccccc4 -MOL_01_008953,CC(O1)(C)C=Cc(c12)c3c(cc2O)cc4c(c3N)c(O)cc5c4C(C)(C)C(O5)CO -MOL_01_008954,Clc1ccc(cc1)-n2c(nnc2C(C)N(C)C)CCn(c3=O)cnc(c34)cccc4 -MOL_01_008955,NCc1ncnc(c12)n(cn2)CCCNCc(c3)ccc(c34)CCC4 -MOL_01_008956,Clc(n1)nc(C)c(CC(=O)C2C)c1C23CC(=O)CC3=O -MOL_01_008957,C1NNCN1C(=O)c2ccc(C)c(c2)-c(c3)ccc(c34)N(CNN4)C(=O)c5c(C)cccc5C -MOL_01_008958,c1cccc(c12)CCC(N2)C(N)Nc3ccccc3 -MOL_01_008959,c1ccccc1C2(O)CCc(c23)cc(C(N)O)cc3NCc4ccccc4 -MOL_01_008960,CCCCC(=O)c(n1CCCO)nc(c1=2)=NN(C)N(N2)C(=O)O -MOL_01_008961,Cc1ccc(C)c(c12)nc(c(c2)CN)CCC(N)N3CCCc(c34)cccc4 -MOL_01_008962,CC1CC(CCC1)Nc2nc(C)c(C(=C)O)c(n2)-n3ccnc3C -MOL_01_008963,OCN(CO)CCNc1ccc(c2c13)nc(O)n2c4c(c3=C)cc(C)cc4 -MOL_01_008964,C1CC1C(=N)N2C(C)Cc(c23)cc(cc3)CNCCC(=N)N(C)Cc4ccccc4 -MOL_01_008965,NCCCCC(N)c1cc(n(c12)ccc(c2)C)C(N)c3ccc(Cl)cc3 -MOL_01_008966,C1C(C2)CC(C3)CC1CC23CNC(=O)c4c(Cl)cccc4CC5CCNCC5 -MOL_01_008967,CC(C)(C)c1ccc(cc1)-c(c2N)c(C)nc(c23)cc(c(Cl)c3)ON -MOL_01_008968,NCCCCc1ccc(cc1)-c2cn(cn2)-c3ccc(O)c(c3)C(=O)NCCN -MOL_01_008969,NCc1ccc(cc1Cl)NC(=O)CCNCc(c2)ccc(c23)NC(=O)CCC3 -MOL_01_008970,c1ccccc1N(CC(=O)C)C(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_008971,NOc(c1)ccc(c12)N=c3c2c4c(cc3N)=NN=C4 -MOL_01_008972,CC(N=1)=NC(=N)c(c12)cc3n2c4c(n3)cccc4 -MOL_01_008973,CCc1ccc(cn1)CC(=O)C(C)(C2)Cc(c23)nccc3-c4ccc(cc4)CC(=O)C -MOL_01_008974,c1cncc(c12)N=C(COO)C(=C)N2CC(=C)Nc3c(C)c(C)cc(C)c3C -MOL_01_008975,C1CC(O)=Nc(c12)ccc(c2)-c3cccnc3 -MOL_01_008976,CC(C)c1nn(C)c(c12)CC(N)CN=C2c3ccccc3Cl -MOL_01_008977,C1CCC1CCc2cccc(C)c2-c3cc(c(CN)c(n3)N)C4CCNCC4 -MOL_01_008978,Fc1ccc(cc1)C2C(C(O)CCC)=C(N)Cc(c23)cc(cc3)N(CC)CC -MOL_01_008979,COc1ccc(cc1Cl)-c(nc(c23)CCCC3)nc2Cc4ccc(cc4)CC(N)O -MOL_01_008980,Fc1ccc(cc1)-c2c(N)c(nn2C)C(=N)Nc3cccc(n3)N -MOL_01_008981,CNC(=C)CN1C(=C)N(c(c12)cccc2)C3CCN(CC3)Cc4ccc(CN)c(c45)cccc5 -MOL_01_008982,OCCCCCCc(n1)nc(c(c12)ncn2C(C)C)CCc3ccccc3 -MOL_01_008983,NCc(c1)c(CN)cc(c12)C(=C)N(C)C=C2C(=C)N(CC)c3ccc(CC)cc3 -MOL_01_008984,c1cccc(c12)nc(CC)c(C)c2C(=N)CCCN(C3=N)C(=N)c(c34)cccc4 -MOL_01_008985,CC(N)Cc1cncc(c1)-c(c2)ccc(c23)cc(cc3)CN -MOL_01_008986,CC(C)(C1)C=CC(N12)=NN(CN)c3c2nnnn3 -MOL_01_008987,NCc1ccccc1NC(=O)c2ncn(c2NC(=O)N)Cc3ccccc3 -MOL_01_008988,c1ccccc1C(CO)NC(=N)c2ccc(cc2Cl)-c3nc(cnc3N)-c4ccnnc4 -MOL_01_008989,CC(C)n1ccnc1C(c(c23)cccc3)N(C2=O)Cc4cc(CN)ccc4CN -MOL_01_008990,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CC(C)(C)C)CCC(=O)N3CCOCC3 -MOL_01_008991,NCC1(C)CCN(CC1)c2c(cnc(c23)ccc(c3)C)C(=N)N4CCN(CC4)C(=N)C(C)C -MOL_01_008992,N1CCN=C1CCc2nc(N)c(CN)c(c2CN)-c3ccc(cc3)CCC4CC4 -MOL_01_008993,O=C(O)C1(N)CC(CC)=C(C)C1C(=O)n2nc(C)cc2C -MOL_01_008994,CN(C)CCCCc1ccc(cn1)-c2cccc(n23)nnc3 -MOL_01_008995,Cc1ccccc1-c2ccc(cc2)-c(c(CN)c3N)nc(c34)ccnc4 -MOL_01_008996,CCC(N)CC1CCc(c12)c(cnc2)-c3ccc(N)c(C)c3 -MOL_01_008997,c1ccccc1C(C)NC(=O)C(C=2)=CC(C23)=NN=C3NC(=O)c4ccc(cc4)N5CCOCC5 -MOL_01_008998,O=C1CN(C(C)(C)C)CC(=O)N1c2c(C)cc(C)c(c2)OC3CCCC3 -MOL_01_008999,NCc1ccccc1-c2nnc(n2C)CCC(N)Cc3cccnc3Cl -MOL_01_009000,CC(=N1)CC=CC1(N)c2cc(ccc2F)NC(=O)c3cc(N)nn3C -MOL_01_009001,COc1cccc(c1)CNC(N)c(n2)nc(N)c(c23)cc(cc3)-c4ccccc4 -MOL_01_009002,CN1CCC(CC1)Cn2c(C)nc(c23)ccc(c3)C(N)c4ccccc4 -MOL_01_009003,FC(F)(F)c(cn1)cc(c12)nc(n2C)CCc3ccc(cc3)CC4=CC(=O)NC4=O -MOL_01_009004,NCc1ccc(nc1)NC(O)N2CCCc(c23)cc(Cl)c(n3)NO -MOL_01_009005,ClC(=N1)N=NN(C1=2)N(C)C(=C(N2)C)C(=O)CCCc3nnnnn3 -MOL_01_009006,Cc1nc(N)nc(c1CN)-c2cccc(Cl)c2 -MOL_01_009007,c1cccc(c12)n3c(nc2N)c(nc3)-c4ccc(F)cc4Cl -MOL_01_009008,N=C(N)c1ccc(cc1)-c2ccc(cc2)-c3cn(cn3)C(=N)N4CCCCC4c5ccccc5 -MOL_01_009009,c1cnccc1-c2cc(C)nc(n2)C3CCN(C3)C(O)c4ccccn4 -MOL_01_009010,Cc(c1)cc(CN)c(c12)N(C)C(=O)c3c(C2)nccc3 -MOL_01_009011,CCN(CC)CCC1CCCCN1CC(=N)N2c(cccc3)c3NC(=N)c(c24)cccc4 -MOL_01_009012,COc1cccc(c1)NC(=O)c2cnc(n(C)c2=O)CCC(=O)NCC3CCCO3 -MOL_01_009013,N=C(O)CCCn1nc(-c2ccccc2)c(-c3ccccc3)c(c1=N)-c4ccccc4 -MOL_01_009014,C=C(C)CCC(C(=C)C)NC(=C)c1ccc(cc1)NCC(C2)CNc(c23)nc(C)nc3C -MOL_01_009015,CCc1cccc(c1)NC(N)Cn(c2N)nc(C)c(c23)cc4c3cccc4 -MOL_01_009016,NCc1c(CN)ccc(c12)C=C3N(C2CN)CCc4c3cc5c(c4)CCC5 -MOL_01_009017,Cc1cc(nc(n1)N)Cc2c(C3CCC3)ccc(c2C)-c4cnc(N)cn4 -MOL_01_009018,Cc1cccc(C)c1C2CNC(=C)N2c3nc(N)cc(n3)CN -MOL_01_009019,Fc(c1)c(Cl)cc(c12)N(CC)C=C(C2=C)C(=C)NCc3ccc(CN)cc3 -MOL_01_009020,Fc1ccc(cc1)C(CC)Cc(n2)cc(N)n(c23)c(c(c3)C)CCCO -MOL_01_009021,c1cccc(c12)ncnc2CCC(=O)N(C)CC(=O)Nc3ccc(Cl)cc3 -MOL_01_009022,CCc1cnn(C)c(=O)c1-c2ccc(cc2)NC(C(=O)C)CC(=O)N(CNC)c3ccccc3 -MOL_01_009023,C=NC(=N)C1CCCN(C)C1C(=N)Nc2ccc(cc2)OCc3cc(C)nc(c34)cccc4 -MOL_01_009024,CNN1CC(NN1C)n2cnc(c23)ccnc3C -MOL_01_009025,Fc1ccc(cc1)C(N)n2cnc(c23)cnc4c3cc(cc4)-c5ccccc5 -MOL_01_009026,Cc(c1)ccc(c12)c(ccn2)NCCCNc3cc(C)nc(n3)C -MOL_01_009027,CCc1cnn(c12)c(c(cn2)C(=O)C)Cc3cccc(c3)CN -MOL_01_009028,Cc1cc(C)cc(c1)Cn2cnc(c2)-c3cnc(c(C)c3)C(O)CCC(C)O -MOL_01_009029,CNC(=C)CCc1c(CCC(=C)NC)c(n(C)c1C)-c2ccc(CN)cc2 -MOL_01_009030,CCc1ccc(cc1)NC(N)C(C)n(c2N)nnc(c23)cc(c3)-c4ccccc4 -MOL_01_009031,Cc1cnc(nc1)N(C2O)CCn(c23)nc(c3)CCc4ccccc4 -MOL_01_009032,Cc1ccncc1-c(c2)ccc(c23)cc(nc3)CC(N)C4CC4 -MOL_01_009033,c1ccccc1-c(c2N)c(C)nc(c23)cc(c(F)c3)CN -MOL_01_009034,c1cncnc1C2=CC(=C)N(C)C(=N2)N3CCCC(C3)c4ccccc4CN -MOL_01_009035,CC(C)(C)NC1=C(C(N)=C1N)Nc2ccnc(n2)Nc(c3)ccc(c34)OCC4 -MOL_01_009036,Nc1cccc(C(N)N)c1-n2ccnc2-c3ccccc3 -MOL_01_009037,CCNc1cccc(c1)-c2cc(cc(c23)cccn3)CNc4ccc(cc4)CCCN -MOL_01_009038,CC(C)c1nnc(n12)CN(CC2)C(O)c3ccc(nc3)CCC4CC4 -MOL_01_009039,CCCC(O)c1cnn(c12)c3c(cn2)ccc(c3)CN -MOL_01_009040,CCC(C)CCCn1cncc1Cn2ncc(c23)c(ncn3)CCc4ccccc4 -MOL_01_009041,NCc1cc(CN)cc(c1)C(CC2)=Nn(c23)c(nn3)-c4cccc(c4)CN -MOL_01_009042,C1CCCN(N12)N=C(N=C2C(=O)C)CCc3nc(C)nnc3C -MOL_01_009043,c1cccc(c12)C(N)N(c3c(N2)cccc3)Cc4cn(cn4)Cc5cccc(F)c5 -MOL_01_009044,Cc1cc(ccn1)-c2cccnc2CC3CCN(CC3)C(=O)c(n4)ccc(c45)cccc5 -MOL_01_009045,Oc1cc(C(O)O)nc(c12)c3c(CC2)ccc(Cl)c3 -MOL_01_009046,NCc1cccc(c1)NC(=O)Cn2c(cc(C(=O)N)c2N)-c3ccccc3 -MOL_01_009047,NCCCN(CC)C(O)c1cc(CN)c(cc1F)Nc2ncc(C(F)(F)F)c(n2)NC -MOL_01_009048,FC(F)(F)c1cccc(c1)-n2cnc(c2)-c3ccccc3NCc4ccccn4 -MOL_01_009049,C1CNCCC1c(nc2C)nc(c23)n(cn3)Cc(c4)ccc(c45)CCCC5 -MOL_01_009050,C=C(C)c(n1)cn(c12)CC(C2)(N)CCc3ccc(cc3)C4CCCCC4 -MOL_01_009051,c1ccncc1-c2c(CC)c(CC)cc(c2)NC(O)Nc3ccccn3 -MOL_01_009052,Cc1ccc(cc1C)C(CN)n2c(cnc2C)C(=O)N3CCOCC3 -MOL_01_009053,Cc1cn(C)c(c12)c(nc(n2)C(C)C)NCc3ccccn3 -MOL_01_009054,Cc1ccc(cc1)Cc2cc(-n3ncc(CN)c3N)nc(n2)-c4ccccc4 -MOL_01_009055,Cc(n1)cn(c12)CC(CC2)CC(N)c3cnc(C)nc3C(C)C -MOL_01_009056,CCn1c(C)c(c(n1)C)NC(=O)c2c(CC)n(cn2)Cc3ccccc3 -MOL_01_009057,C=C1CCC(C(=C)N1)N(C(=N2)C)C(=C)c(c23)c(N)ccc3 -MOL_01_009058,c1cccc(c12)nc(n(c2=N)CC(C)C)CC(C)C(=N)Nc(c3)ccc(c34)OCCO4 -MOL_01_009059,C=C1CCCC(=C12)CC(N)=C(CN)C2c3c(C)nn(CC)c3C -MOL_01_009060,CC(F)(F)c(n1)nn(c12)c(cc(n2)C)Cc3ccc(C(F)(F)F)c(F)c3 -MOL_01_009061,CC(=O)n(c1=O)cc(n12)c(=O)n(C)c3c2cccc3 -MOL_01_009062,Cc1ccc(cc1)CCc(nc(c23)nccc3)n2Cc4ccc(cc4)C(=O)NCCN5CCOCC5 -MOL_01_009063,FC(F)(F)c1cnc(nc1CC)Cc2cnn(c23)CC(N)CC3N -MOL_01_009064,NCc1cccc(c1)C(CC2)=Nn(c23)c(nn3)-c4cccc(c4)CN -MOL_01_009065,CC1CCN(CC1)c2ccnc(n2)-c(c3)cc(F)c(c34)CC(C4)CN -MOL_01_009066,c1ccncc1C2NC(CC2)C(=O)n3ccc(c34)ccc(c4)CCc5ccccc5 -MOL_01_009067,c1ccncc1CN(C2=N)CCC23CN(CC3N)c4ccccn4 -MOL_01_009068,c1ccnc(c12)ccc(c2)C(c3nccn3C(C)(C)C)N4CCN(CC4)c5ccc(ON)cc5 -MOL_01_009069,CC(F)(F)c1cc(ccn1)C(O)Nc2cnc(O)c(c2)-c3ccnc(c3)N4CCCCC4 -MOL_01_009070,Cc1cnc(cn1)C(N)Cc2ccc(F)c(c2)C3(C(F)F)CCCC(=N3)N -MOL_01_009071,C=C1CC(N)(N)CC(N2CC(=C)C)=C1C(C(=C23)C(=C)CC(N)(N)C3)c4ccc(cc4)CCCC -MOL_01_009072,CC(=O)CCc1c(CN)ccc(c12)c(=O)c3c(n2C)cc4c(c3)cccc4 -MOL_01_009073,CCCCCC(=O)NNC(=O)C1Cc(cccc2CC)c2Cc(c13)nccc3 -MOL_01_009074,NOc(c1)ccc(c12)n(C)c3c2ncn(c3=N)Cc4ccc(F)cc4 -MOL_01_009075,c1ccc(CN)c(c12)c(nn2C)NCC(C)(C)c3ccccc3 -MOL_01_009076,Cc1nccn1-c2nc(nc(C)c2C(=C)C)CCc3ccccn3 -MOL_01_009077,CC(=O)Nc1cc(ccc1C)Nc(n2)cc(n(c23)ccc3)NC4CC4 -MOL_01_009078,NC(=O)c1cccc(c1)-c2ccnc(c23)CC(C3)C(=O)NCCc4ccccc4 -MOL_01_009079,Cn1ncc(c12)c(N)nc(n2)CC(C3)CCc(c34)cccc4 -MOL_01_009080,C=C(O)c(n1)cn(c12)CC(CC2)CCc3cn(cn3)-c4ccc(CN)c(F)c4 -MOL_01_009081,C=C(C)NCC1CC(=C)N(C1)c2ccc(c(F)c2)-c3ccc(nc3)-c4nccn4C -MOL_01_009082,Oc1n(C)cnc(c12)cc(c2C)C(O)Cc3ccccc3 -MOL_01_009083,CN(C)CCNc(c(C(N)O)c1O)nc(n12)cc3c2ccc(Cl)c3 -MOL_01_009084,O=Cc1cc(ccc1)C(=N2)C(CN)=C(C2=3)C(=O)N=C(N3)N -MOL_01_009085,CCCC(O)c1c(C)nc(c(c1CO)C(O)CCC)-c2ccccc2 -MOL_01_009086,C1CCCc(c12)ccc(c2)NC(=C)CCC(=C)c(n3)nc(n34)nc(C)cc4C -MOL_01_009087,CCCCc1ccc(cc1)CN(C(N)C2N)c(c23)c(C)ccc3 -MOL_01_009088,CC(O1)(C)CCc(c12)c3c(c(C)cc(N)c3)c(c2)OCC(N)Nc4cccnc4 -MOL_01_009089,C1CC(C)(C)Cc(c12)c(CN)c(C)n(c2=O)-c3ccccc3 -MOL_01_009090,Cc1ccc(cc1)-n2cc(C3CCC(N)CC3)cc2NC(N)c4ccn(c45)cccn5 -MOL_01_009091,Cc1ccc(cc1C)Oc2cc(CN)c(CN)cc2-n3cnc(c34)cccc4 -MOL_01_009092,CN1CCN(C1)C(=O)c2cc(nc(c2)N3CCN(C)C3)CNc4ccc(F)cc4N -MOL_01_009093,Cc1ccc(cc1)C2N(C(=O)C)N(O)C(=O)C2Cc3cccnc3 -MOL_01_009094,CCCc1ncccc1C(O)N2CCCC(C2)n3nc(C)nc3C -MOL_01_009095,NCc1ccc(cc1)-c2cn(cn2)C(CN34)C(CC3)CC4 -MOL_01_009096,NCc1cccc(F)c1-c2cc(ncn2)NC(N)C3CCCNC3 -MOL_01_009097,CN1CCN(CC1)C2Nc(cc(F)cc3)c3Nc(c24)nn(n4)CC -MOL_01_009098,Cc(n1)cc(C)c(c12)N(CCC2)C(=N)Nc3ccc(cc3)C(=N)NCc4cccc(Cl)c4 -MOL_01_009099,CCc1ccccc1CNC(=O)CCC(=O)N2Cc(cccc3)c3Cc(c24)nccc4 -MOL_01_009100,NC(=N1)CCC(Cl)C1(C)c2cc(ccc2Cl)NC(=O)C3(CN)CC3 -MOL_01_009101,C=C(C)N1N=C(NC(=C)C)CC1(C)c2cnccn2 -MOL_01_009102,Cc1ccc(cc1C)-n2ccc(c23)c(C)nc(n3)CCC(N)N4CCC(C)CC4 -MOL_01_009103,CC(N=1)=NC(=O)C(C12)=NC=C2C(=O)c3ccc(Cl)cc3 -MOL_01_009104,CC(C)n1cnc(c12)c(cc(c2)OC(CC)CO)CCc3ccccc3O -MOL_01_009105,CCC(=O)CCC1CNc(c12)cccc2CC(=O)N(C)c3ccc(CC)cc3 -MOL_01_009106,CCc1ccc(cn1)C(N2CCCCC2)CNC(=O)C3CCc(c34)nccc4 -MOL_01_009107,c1ccccc1CC(C(C)=N)NC(=N)Cn2ccc(c23)cc(cc3)-c(c4)cnc(c45)cccc5 -MOL_01_009108,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CCC)CCC(=O)c3ccccc3 -MOL_01_009109,Oc1ccc(cc1)CCNC(=O)CCC(C(=O)N2)CCc(c23)cccc3 -MOL_01_009110,Nc(c1)cc(C)c(c12)c(cc(c2)C)CCC(N)Nc3cccnc3 -MOL_01_009111,CCCCN1CCCC1CNC(N)c2cc(Cl)cc(c23)N(C)CCC3 -MOL_01_009112,NCc1ccc(cc1)-c2cn(cn2)-c3ccc(C)c(c3)C(=O)NCCc4ccc(F)cc4 -MOL_01_009113,CC(C)CCC(C)Nc1nc(C)c(C(=C)C)c(n1)-n2ccnc2C -MOL_01_009114,Cc1ccncc1-c(c2)cnc(c23)C(CC3)C(=O)N -MOL_01_009115,C1COCCC1C(=N)c(n2CC(F)(F)F)cc(c23)cc(cc3)OC4CCC(CC4)C5COC5 -MOL_01_009116,CC1CC(C)CN(C1)Cc(c2)ccc(c23)N(C(=N)C3=N)Cc4ccccc4 -MOL_01_009117,Cn1cncc1CNC(=C)c2cnn(c2CCCC)-c3ncc(C)c(n3)CCC -MOL_01_009118,Clc1c(Cl)cccc1C2C(C(=N)CCC)=C(C)NC(=C23)CC(C)CC3=N -MOL_01_009119,CCCC(O)Cc(c1C)c(O)cc(c12)n(nc2C)-c3ccccc3 -MOL_01_009120,C1CCCC1C(N)Cc2cc(-c(c3)ccc(c34)OCO4)nc(n2)-c5ccccc5 -MOL_01_009121,Nc(c1)cc(N)c(c12)ccc(n2)-c(c3)ccc(c34)CNC4 -MOL_01_009122,c1nc(N)nc(c12)nc(C)c(c2)-c3c(N)cccc3Cl -MOL_01_009123,ClC(=C1)C=C(C1=2)C=C(N2)C(=O)CC(Cc(c34)cccc4)C(=O)C3CC(=O)C5CCC(O)CC5 -MOL_01_009124,Cc1cccc(c1)C(=O)N2CCN(CC2)C(=O)c(c3C)nn(c34)cccn4 -MOL_01_009125,Cc1ccn(C)c(=N)c1-c2ccc(cc2)CC(C(=N)O)NC(=N)c3c(Cl)cccc3Cl -MOL_01_009126,CCc1ccccc1N2CC(CC2=O)NC(=O)Cn3cnc(c3)C(C)C -MOL_01_009127,COc1ccc(OC)cc1N(CC)C(N)Cn2ncc(c23)c(N)cc4c3cc(C)cc4 -MOL_01_009128,C=C(C)c(n1)nc(n12)c(C)nc3c2cc(Cl)c(Cl)c3 -MOL_01_009129,Cc1ccc(cc1)C2CC(c3ccc(C)c(C)c3)=NN2C4=NC(=O)CC4 -MOL_01_009130,COc1ccc(C)cc1Cn2c(cc(c23)cc(cc3)CN)C(N)CCC(C)(C)CO -MOL_01_009131,Cc1ccccc1-c2cc(c(CN)c(n2)C)-c3cccnc3 -MOL_01_009132,c1cccc(c12)cncc2CC(N)C(=O)N3CCN(CC3N)C(=O)c4ccccc4 -MOL_01_009133,NOc1ccccc1N2CCN(CC2)CCCCn3cnc(c3)-c(c4)ccc(c45)nccc5 -MOL_01_009134,CC(C)(C)c1ccc(cc1)C(O)Nc(n(n2)C(C)(C)C)c(c23)CCC3 -MOL_01_009135,NCCCC(C)Nc1cc(CN)c(c(c12)cccn2)CCC(C)(C)C -MOL_01_009136,c1cccc(c12)c(C=N)c(n2C)Cc3ccc(N)cc3N -MOL_01_009137,C=C(O)c1ccc2C(CCN(CC)CC)=Cc(c2c13)c4c(n3)ccc(c4)O -MOL_01_009138,NCC1=CN=c(c12)c=3c(cc2)c4c(N3)ccc(c4)CN -MOL_01_009139,N1=NC=c(c12)cc(C)c=3c2C(=CN3)CCN -MOL_01_009140,CCCC(=O)Nc1ccc(C)c(c1)-c2cc(C(=O)C)ccn2 -MOL_01_009141,Cc1cccc(c1)CC2(O)CCN(CC2)C(=O)c3ccc(cc3)NCc4cccc(c45)cccn5 -MOL_01_009142,c1cc(F)cc(c12)CN=C2N(c3ccccc3)CC(N)(N)CNC(=O)n4cccc4 -MOL_01_009143,Fc1ccc(cc1)-n2nc(C)c(C(O)NC(C)C(C)(C)C)c2CCc3cccnc3 -MOL_01_009144,Nc1nc(ccc1)N2C(CCC2=N)c3ccc(cc3)-c4cccnc4 -MOL_01_009145,CC(C)(N1)CC(N)c(c12)c(N)c3c(c2)cccc3 -MOL_01_009146,Cc1ccc(cc1)CC(C)C(N)Cc2cc(cnc2N)-c3ccncc3 -MOL_01_009147,Cc1cccc(n1)N2C(=O)CCC2c3ccccn3 -MOL_01_009148,Clc(c1)c(C)cc(c12)c3n(c(n2)C)nc(c3)N(O)CNN -MOL_01_009149,Cc1cc(ccn1)-c(c2)ccc(c23)ncc4c3n(cn4)Cc5ccc(F)cc5 -MOL_01_009150,c1ccccc1C(C(O)O)Cc2n(C)c(nn2)-c3ccc(cc3)NC(O)c4ccc(Cl)c(Cl)c4 -MOL_01_009151,Cc1ccc(cc1)NC(=C)CCc2nnc(n2C)CC3=NN(C)C(=C)c(c34)cccc4 -MOL_01_009152,COc1ccccc1-c2cc(CC(=O)CCC)nc(n2)-c3ccccc3OC -MOL_01_009153,CCc1c(C)nc(C)c(N(C)C)c1C(O)c2cccc(c2)CCCN -MOL_01_009154,Fc(c1)ccc(c12)CCCC2C(=O)c3cc(ccn3)-n4cccn4 -MOL_01_009155,NCC1=CN=c(c12)c=3c(cc2)c4c(N3)ccc(c4)-c5ccc(C(F)(F)F)cc5 -MOL_01_009156,c1nnc(c12)cn(CN)c(c2)-c3ccccc3C(Cl)(Cl)Cl -MOL_01_009157,c1ccccc1-n(n2)c(N)c(c23)c(ccn3)-c4ccc(Cl)cc4 -MOL_01_009158,NCc1ccc(cc1)CN(C(=N)C2=N)c(c23)ccc(c3)-c(c4)ccc(c45)cccc5 -MOL_01_009159,COc(c1)ccc(c12)nc(C)cc2C3CC(OC3=O)CCC(=O)c4ccccc4 -MOL_01_009160,NCc1ncccc1N(C)C(O)Cn2cnc(c2)-c3ccccc3 -MOL_01_009161,c1ccccc1C(C)C(C)CC(C2=O)=NC(=O)c(c23)cccn3 -MOL_01_009162,Cc(n1)ccc(c12)C(=O)C(=NC2=O)C3CC3 -MOL_01_009163,c1cccc(c12)c(N)c(C)c3c2n(C)c(c3)Cc4cccc(c4)C(C)N -MOL_01_009164,COc(c1)c(OC)cc(c12)ncc(CN)c2Cc3ccccc3Oc4ccccc4 -MOL_01_009165,CNc1cccc(n1)N2CCC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_009166,c1cc(Cl)cc(c12)c(cc(=N)n2C)CCC(=N)CCCC3=NCCCC3 -MOL_01_009167,CCOC(CC1)CCC1(C)N2CCC(CC2)n3c(N)cc(c34)ccc(c4)CN -MOL_01_009168,Cn1cc(cn1)-c2ccc(cc2)CN(C(O)C3O)c(c34)cccc4 -MOL_01_009169,C1CCCCN1C(c2cnc(C)cc2)CNC(=O)C3CCc(c34)nccc4 -MOL_01_009170,C1CCNc(c12)c(ccc2N)Cc3ccc(F)c(c3)C(N)N4CCC(CC4)C(N)c5ccc(F)cc5 -MOL_01_009171,CCc1ncn(c12)c3c(C(N)C(C2)C)cc(Cl)cc3 -MOL_01_009172,OC1CN(C1)C(=O)c2cc(Cl)ccc2CC3CCN(CC3)C4CCCC4 -MOL_01_009173,NCCc1c(CN)c(N)nc(c1CN)N2CCN(CC2)Cc(c3)ccc(c34)CCC4 -MOL_01_009174,Cc1cccc(c12)COC(=N)N2C3CCN(CC3)Cc4cc(ON)ccc4ON -MOL_01_009175,Cc1ncnc(c12)nc(cn2)-c3ccccc3 -MOL_01_009176,c1cccnc1-c2ccnc(n23)ncc3 -MOL_01_009177,NCc(cc1)cc(c12)C(C(=N)NC(C)(C)C)N(C2=N)Cc3ccccc3-c4ccccc4 -MOL_01_009178,CNc(c1)ccc(c12)C(C(=N2)N)C(C3N)=Nc(c34)cccc4 -MOL_01_009179,NCc(n1)ncc(c12)N=C(C(=C)N2CCCN)CCc3ccccc3 -MOL_01_009180,c1ccccc1NC(=O)CCC(CC)N2C(=O)CCC2c3ccc(Cl)cc3 -MOL_01_009181,COc1ccc(cc1OC)N2C(=O)CCC2c3cccnc3 -MOL_01_009182,Cc1ccc(cc1)-c2nnc(nc2-c3ccc(C)cc3)CCC(=O)N4CCCCC4 -MOL_01_009183,c1ncccc1C2C(C(N)CC(C)(C)C)=C(N)Cc(c23)cc(O)cc3 -MOL_01_009184,C1CCCCC1N(C=2)C(CCCC)=CC(C23)=CC(=N)C(C)(C3=N)OC(=N)CC -MOL_01_009185,Clc1ccc(n12)c(ncn2)CC(=NCC3)CC34C5CCN(C4)CC5 -MOL_01_009186,CC(C)CCn1ccc(c12)C(N)c3c(C2N)cncn3 -MOL_01_009187,CCn1cc(CN)c(c12)cc(cc2)Cc3ccc(cc3)NC(N)CN -MOL_01_009188,Cc1ccc(cc1)CC(N)c(c(n2)O)cc(c23)C(N)CC(C3)(C)C -MOL_01_009189,CCn1ccc(c1)N(C2O)Cc(c23)nc(nc3)N4CCCCC4 -MOL_01_009190,O=C(O)COc1c(C)c(C)c(cc1)CC2CCCC2=O -MOL_01_009191,Cc1ccccc1CC(NC(=O)C)C(=O)NC2CCN(CC2)c3nccn3-c4ccccc4 -MOL_01_009192,C1CCc(c12)ccc(c2)CNC(=O)CCC(=O)c3cnc(Cl)c(Cl)c3 -MOL_01_009193,NCCCCCn1cc(CN)c(c12)c(Cl)ncn2 -MOL_01_009194,Nc1ccc(c(N)c1)N2C(=O)CCC2c3cccnc3 -MOL_01_009195,NCc1ccc(cc1)C2N=C(NC(N23)=NC(C)=CC3=C)Nc4ccc(C)cc4 -MOL_01_009196,Cc1nn(CC)c(c12)c(nc(n2)CCC)CCCCCN -MOL_01_009197,Cc1cc(O)nc(c12)cc(cc2)N3C(O)CCC3c4ccc(F)cc4 -MOL_01_009198,c1cccc(c12)ncn2-c3cc(CN)c(CN)cc3Oc4ccccc4ON -MOL_01_009199,Fc1ccc(cc1)C(N)Cn2c(nc(c23)cccc3)C(N)c4ccccc4 -MOL_01_009200,C1CCCN1CC(=C)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(=C)CN5CCCC5 -MOL_01_009201,C=C(O)c1ccc(cc1)-c(c2O)ccc(n23)c(nc3)C(C)O -MOL_01_009202,C=C(C)C1=C(C)N(C)C(=O)NC1c2ccccc2C(N)(N)N -MOL_01_009203,c1cnc(n12)nc(cc2C(=O)NC)-c3ccccc3 -MOL_01_009204,CC(C)(C)CN1C(C(C)(C)C)C(C)=C(C1=O)C(N2)=NCc(c23)cccc3 -MOL_01_009205,Clc1ncc(cc1)-c(nc2CC(C)C)nc(c23)CCN(C3)C(O)c4cn(C)cn4 -MOL_01_009206,C1CCc(c12)nn(C(C)(C)C)c2NC(O)c3cccc(F)c3 -MOL_01_009207,Fc1ccc(cc1Cl)Nc2cc(nc(n23)ccc3)NCC4CCNCC4 -MOL_01_009208,NCc1cccc(c1)CC(C2)CCn(c23)cc(n3)CCC(N)C4CCC4 -MOL_01_009209,CCCn1c(N)nc(N)c(c12)nc(n2)C3CCCC3 -MOL_01_009210,C1N2CC(C3)(CCC)C(N)C1(C)CN3C24c5c(CC4N)ccc(c5)C -MOL_01_009211,Cc1cccc(c1)-c(n2)nc(C)c(c23)n(C)cc3N -MOL_01_009212,CCCCC1CNc(c12)c(nc(n2)CN)NCCc3ccccc3 -MOL_01_009213,O=C(N1)CCc(c12)ccc(n2)N3CCCCC3c4ccccc4 -MOL_01_009214,Cn1c(N)c(CN)c(c12)cc(cc2)Cc3ccc(cc3)NC(=O)CN -MOL_01_009215,NCc1ccc(cc1)-c2nccn2-c3ccc(F)cc3F -MOL_01_009216,CCC(C=1)=Nc(c12)ccc3c2=CC(=N3)NC(=O)c4cnn(C)c4OC -MOL_01_009217,COC(=N)c1ccc(cc1)NC(=N)CC2C(=N)N(C(=N)N2CC(C)C)c3cccc(Cl)c3 -MOL_01_009218,CCC1OC(=O)N=NC1c(c2)ccc(c23)nc(o3)-c4ccccc4 -MOL_01_009219,CCc(c1)ccc(c12)nccc2C(C)CN3CCC(CC3)NCCNc4ccccn4 -MOL_01_009220,NCc1ccc(cc1)C2=NN(C3=NC(O)CC3)C(C2)c(c4)ccc(c45)cccc5 -MOL_01_009221,Cc1ncccc1Cc2cc(ncn2)N(C34)C5CC(C3)N(C(C5)C4)C(=O)CC6(C)CC6 -MOL_01_009222,NNc1c(N)nc(nc1N)C2C(C=CC2=N)c3c(F)cccc3Cl -MOL_01_009223,O=C(C=1)C=Cc(c12)cc=3c(C=CC3)c2CCc4nncn4-c5ccc(C(F)(F)F)cc5 -MOL_01_009224,C1CCCCN1C(=C)c2cc(F)c(cc2CN)Nc3ncc(C(F)(F)F)c(n3)NCC -MOL_01_009225,C1CCCC1(CO)CCC(N)c2nc(n(c23)cccc3)CN(CC4)CCC4(F)F -MOL_01_009226,NOc1ccc(cc1)-c(n2)cc(n23)C(N)C(CC3)Cc4ccccc4 -MOL_01_009227,Cc1ccc(cc1)CCC(=O)Nc(n(n2)C(C)(C)C)c(c23)CCC3 -MOL_01_009228,CCCC(=O)c1c(C)c(c(C)n1C)C(=O)NCc2ccccn2 -MOL_01_009229,Fc1ccc(cc1)C(N)Cc2cc(ncn2)N3CCCC(C3)C(N)(N)O -MOL_01_009230,C=C(C)c1c(C)cc(cc1)NC(=C)CCCCn2cnc(c23)c(C)ncn3 -MOL_01_009231,Cc(n1)ccc(c12)C(N)C(=CC2N)Nc3ccc(cc3)-c4ccc(N)cc4 -MOL_01_009232,Fc1cc(F)ccc1-n(cc(C(C)=N)c2=N)c(c23)cc(cc3)-c4ccncc4 -MOL_01_009233,C=C(C)c1ccc(cc1)-c2cc(N)nc(n2)C3CCN(C(N)N)CC3 -MOL_01_009234,NCc1ccccc1N2CCN(CC2)Cc3c(N)nc(n34)cc(N)nc4 -MOL_01_009235,n1cccc(c12)ccc(c2C)C(c3ccccn3)Nc4cccc(c4)C(=O)CN -MOL_01_009236,CCOc1ccccc1NC(=O)CCc(c2C)c(C)nc(n23)c4c(c3)nccc4 -MOL_01_009237,FC(F)(F)c1cc(ccc1)CC(N)Cc2ncnc(c23)nn4c3cccc4 -MOL_01_009238,Nc(c1)ccc(n12)nc(N)c2C(=N)N3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_009239,c1ccccc1CCNC(N)c(c2)ccc(c23)CCC(N)N3Cc4ccc(F)cc4Cl -MOL_01_009240,O=C1CC(CN1)C(C)Cc2nc(-c3ccccn3)cc(c24)nccc4 -MOL_01_009241,CNc1ccc(cc1)C(N)CCc(c2N)cnc(c23)cccc3NCC4CCCCC4 -MOL_01_009242,C=C(C)CCC(C(=C)C)CC(=C)c1ccc(nc1)CCCCC(C=2)=Nc(c23)nc(C)nc3=C -MOL_01_009243,Cc1cc(ccc1)NC(=C)Nc2ccnn2C3CCN(CC3)C(=C)c4ccc(C)nc4 -MOL_01_009244,Cc1cc(ccc1)Nc2nc(N)c(C(=C)O)c(n2)N3CCN(C)CC3 -MOL_01_009245,CC(=O)Nc1ccc(O)cc1CCC(N)CN(CC2)CCC23Cc4c(C3)cc(F)cc4 -MOL_01_009246,OCCC(=C)C1=C(C)C(=C)N(C1c2ccc(O)cc2)CCCn3ccnc3 -MOL_01_009247,Cn1cccc1Cc2nnc(n2-c3ccc(ON)cc3)CCC(=O)Cc4cc(Cl)ccc4ON -MOL_01_009248,Cc1ccc(nc1)C2CC2CCc3nc(C)ncc3-c4ccc(=O)n(c4)CCN -MOL_01_009249,CC(=O)c1nnnnc1C2CN(CCC3)C3c(c24)nnnn4 -MOL_01_009250,CCCCCCn1cnc(c12)c(C)nc(n2)Cc3ccccc3 -MOL_01_009251,c1ccccc1C(C)Nc2ncc(F)c(n2)N(C3(C)C)C(=O)CC3(C)C -MOL_01_009252,Cc1ccc(cc1)CNc2c(C(O)NCC(C)(C)C)c(C)nn2-c3ccccc3 -MOL_01_009253,CNc1cccc(c1)CCC(N)c(n2)nc(N)c(c23)cc(C)cc3 -MOL_01_009254,CC(C)n1cnc(c12)c(cc(c2)OC(CC)CO)CCc3ccc(O)cc3 -MOL_01_009255,CNc1cccc(c1)C(N)(C(CC2)CN(C)C)c(c23)ccc(c3)-c4ccccc4C -MOL_01_009256,CCNC(=C)N1CCCc(c12)cc(cc2)Cc3ccnc(c34)cc(CN)c(c4)CN -MOL_01_009257,CC(O)c1ccncc1-c2cc(C)cc(c2)C(O)NCc3cc(Cl)ccc3-n4ccnc4 -MOL_01_009258,CC12OOC(CC1=O)(C2(C)C)C(=O)C(c3ccccn3)c4ccccn4 -MOL_01_009259,C=C1CCC(N(C)N)N1c2ccnc(n2)CC(N)c3ccc(cc3)Cc4ccccc4 -MOL_01_009260,c1ccccc1N2CCN(CC2)C(=O)c3ccc(cc3)CN(C4=O)C(=O)N=C(C4=5)C=CC5 -MOL_01_009261,CC(C)(C)CC(=C)NCc1ccc(cc1)NC(=C)c2ncn(c23)CC(C)NC3=C -MOL_01_009262,CCc1ccc(nc1)C2CC2CCc3cc(c(=O)n(n3)C)NCc4nc(C)nn4C -MOL_01_009263,Cc1ccc(cc1C)CN2C(=C)C(=CN=C2)C(=C)NCCCc(c(C)c3)cc(c34)c(N)ncn4 -MOL_01_009264,c1ccccc1CC(=C2C(=O)C)CCC(N23)C(C3=O)NC(=O)CCc4ccccc4 -MOL_01_009265,Cc(c1)ccc(c12)CC(C(=O)N2)CC(=O)NCCCN3CCN(CC3)c4cc(Cl)ccc4C -MOL_01_009266,c1ccccc1C(C)N(C(=O)C2)C(=O)C2(Cc3ccccc3)C(=O)CCc4ccccn4 -MOL_01_009267,NC(=O)c1cccc(c1)-c2ccnc(c23)CC(C3)C(=O)NCCC(F)(F)F -MOL_01_009268,c1cccc(c12)nc(CCC)c(n2)Nc3cc(CN)ccc3CC4CCN(C(=O)C)CC4 -MOL_01_009269,c1ncccc1C(c(c23)ccc(C)c2)C(=C(C3)N)C(N)CCc4ccccc4 -MOL_01_009270,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)C3CC3)CCc4ccccc4 -MOL_01_009271,c1ccccc1NC2=C(CN)C(N3CCOCC3)=NC(=CC2)c4ccc(Cl)c(Cl)c4 -MOL_01_009272,CC(C=1)=Nc(c12)c3c(cc2)=NC(=C3)NC(N)C(c4ccccc4)c5ccccc5 -MOL_01_009273,CC(C)(C)C(C)NC1=C(C(N)=C1N)Nc2ccnc(n2)Nc(c3)ccc(c34)c5c(C4)cccc5 -MOL_01_009274,Cc1ccc(C(C)N)c(c12)cc(cn2)N3CCN(CC3)Cc4ccccc4 -MOL_01_009275,c1cccc(c12)N(C(=N)NC)C3C2CN(CN3)CNc4ccccc4 -MOL_01_009276,C1CCCCC12N(C)C(=C)N(C2=C)CC(=C)Nc3cc(CN)c(cc3CN)NC(=C)c4ccccc4 -MOL_01_009277,c1ccnn1Cc(nn2C(N)N)c(c23)CC(C3)C4CCOCC4 -MOL_01_009278,C1=CC(C)(C)Cc(c12)cc(C)c3c2CC4C(C3=O)c5c(CC4)cc(CN)c(c5)CN -MOL_01_009279,O=C1CCC(=N1)N2N=C(c3ccc(F)cc3)CC2c(c4)ccc(c45)cccc5 -MOL_01_009280,C=C(O)c1cccc(c12)nc(c3n2cnc3)Nc4c(N)cccc4N -MOL_01_009281,CC(C)(C1)CC(=N)C(=C12)C(C(=C(O2)C)CN)c(c3)ccc(c34)cccc4 -MOL_01_009282,c1ccccc1C2CCC(N)N2c3ccnc(n3)NC4CC4 -MOL_01_009283,NCc1ccc(cc1)C2C=C(Cc(n23)ncn3)c4ccc(Cl)c(Cl)c4 -MOL_01_009284,C1=CC(C)=c(c12)cc3c(c2)=CC(=N)C(=C3C)CC(=N)NCCc4ccccc4CN -MOL_01_009285,CC(C)C1CCC(=O)Nc(c12)n(nc2)-c3ccc(Cl)cc3N -MOL_01_009286,CCc1cc(F)ccc1C(C=NC2=N)=C(C2=3)C=C(C3)c4ccncc4 -MOL_01_009287,c1ccccc1-c(c2N)c(C)nc(n23)c(cc3)-c4ccc(F)cc4 -MOL_01_009288,c1cccc(c12)CCC(=O)N2CCCn3cc(nn3)-c4ccccn4 -MOL_01_009289,CCCC(O)c1cnc(nc1C)CCC(O)Cc2cc(C(F)(F)F)ccc2N3CCCCC3 -MOL_01_009290,CN(C)C(O)c1ccc(cc1)-c2ncnc(CC)c2CCc3ccc(C)nc3 -MOL_01_009291,CCC(=O)c1cncc(c1)NC(=O)CCc2ccc(cc2)C34CC5CC(C3)CC(C5)C4 -MOL_01_009292,CCCCNC(C1N)=C(F)C(N)c(c12)c(F)c(F)c(F)c2F -MOL_01_009293,Clc(c1)ccc(c12)CC(=N)CC2(C(N)(N)N)NNc3ccccc3 -MOL_01_009294,CCCC(N)c(c1C)c(CCl)nc(c12)nnnn2 -MOL_01_009295,CCc1cccc(c12)C(O)c3c(C2O)c(C)cc(n3)O -MOL_01_009296,CCc1cccc(c1)CNC(O)CCCn(c2O)ncn(c23)c4c(c3)ccc4 -MOL_01_009297,NCc1ccc(cc1)-n(n2)cc(c23)nc(nc3O)-c4ccccc4 -MOL_01_009298,NCc(c1)ccc(c12)nc(C)n2CC(C)c3cccc(Cl)c3Cl -MOL_01_009299,NCNNCCC(=C)C(Nc1ccccc1)CCc(c2)ccc(c23)N(C)C(=C)N(C)C3=C -MOL_01_009300,c1ccncc1N(C)C(N)Cn2c(N)cc(c23)ccc(c3)-c4ccc(CC(F)(F)F)cc4 -MOL_01_009301,NCNCn1c(=O)cnc(c12)cnc(n2)C3CCCCC3 -MOL_01_009302,C1CCCCN1C(=C)Cc2cc(CN)c(cc2CN)Nc3ncc(Cl)c(n3)NC -MOL_01_009303,NC(N1)Cc(c12)c(ccc2F)CCCN(C3)CCc(c34)cccc4 -MOL_01_009304,CCCCNC(C1O)=C(F)C(O)c(c12)c(F)c(F)c(F)c2F -MOL_01_009305,c1nccc(c12)C(N)c3c(C2N)n(cc3)CCC4CC4 -MOL_01_009306,CC(=N1)CCCC1(C(F)F)c2cc(ccc2F)CC(O)c3ccn(n3)C -MOL_01_009307,C1CCCC1C(=N)n2c(nc(c23)cccc3)Cc4ccccc4 -MOL_01_009308,CCc1ccccc1CC(CC(=O)C)C(=O)CC2CCN(CC2)C(=O)c3cccc(Cl)c3 -MOL_01_009309,NC(=O)NC(N)c1ccc(cc1)CC2CCN(C2)c3ncnc(c3N)CCC4CC4 -MOL_01_009310,c1ccccc1-c2c(c(N)nc(c23)cccc3)C(N)NC45CC6CC(C4)CC(C6)C5 -MOL_01_009311,Cc(n1)ccc(c12)c(cc(F)c2)OCCN3CCC(CC3)Cc(c4F)ccc(c45)OCC(C5)N -MOL_01_009312,NCc1ncnc(c12)n(cn2)CCCCCc(c3)ccc(c34)CNC4 -MOL_01_009313,CN1CCN(CC1)c2ccc(cc2)-c(c(N)c3N)nc(c34)cc(F)cc4F -MOL_01_009314,Cc1ccc(cc1C)C2NC(=N)N(C)C(C)=C2C(=N)NCCCN3CCC(CC3)c4ccc(C)cc4 -MOL_01_009315,COc1cccc(c1)-c(nc(c23)CCCC3)nc2Cc4ccc(cc4)CC(N)O -MOL_01_009316,Nc1ccc(cc1N)-c(c2N)nnc(n23)nc4c3cccc4 -MOL_01_009317,c1cccc(c12)cc(n2C)C(=C)NC(C(C)C)C(=C)c3ccc(CN)cc3 -MOL_01_009318,c1cncn1CC2CC(C)N(C2)c3ccc(c(F)c3)-c4ccc(nc4)N5CCC=NCC5 -MOL_01_009319,c1ccncc1C2NC(CC2)C(=N)n3ccc(c34)cc(cc4)OCc5ccccc5 -MOL_01_009320,CC(=O)Cc1cccn(c1=O)C(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_009321,NCc(c1)ccc(c12)ncc3c2C=C(C3=O)c4ccc(F)cc4 -MOL_01_009322,Cc1ccc(cc1)CCNCc(c(Cl)c2)cc(c23)CCC(=O)N3 -MOL_01_009323,CC(C)(C1)CCC(=C12)C(O)C(O)c3c2cc(cc3)CN -MOL_01_009324,c1cccc(c12)CCN2C(=C)OCc3nccn3-c4cccc(c4)CN -MOL_01_009325,CC(C)CCC(CN)c1c(CC)nc(n12)ccc(c2)C(N)CCc3ccccc3OC -MOL_01_009326,C1CC1C(CO)c2ncnc(c23)n(cn3)CC4CC4 -MOL_01_009327,NCc1cc(CN)cc(c1)-n2ccnc2CCC(=O)C3CCCc(c34)cccc4 -MOL_01_009328,CCOC(=O)C1CC1c2nc(nc(O)c2CN)CCc3cccc(C)c3C -MOL_01_009329,CCc1ccc(cn1)-c2cc(nnc2N)-c3ccc(CN)cc3 -MOL_01_009330,C1CCCCN1C(=O)n2nc(-c3ccc(Cl)cc3)nc2CCC4CC4 -MOL_01_009331,CN(C)CCNC(=O)C(C1)Cc(c12)nccc2-c3ccccc3Cc4ccccc4 -MOL_01_009332,Clc(c1)cc(N)c(c12)ncc(C(=O)CCN)c2NCOCN3CCCCC3 -MOL_01_009333,c1ccccc1CC2C(=N)CC(n(c23)ncn3)c4ccccc4 -MOL_01_009334,COc1ccc(cc1)C2CN(c3ccccc3)C(=N)C2CC(=N)Nc4ccccc4 -MOL_01_009335,Fc1ccc(cc1)CC2(C)C(CN)=CC(=O)N2CCCNc3ccnc(c34)cc(F)cc4 -MOL_01_009336,Fc1cc(F)ccc1C(C)(Cn2cncn2)CN(C3CC3)Cc4cn(cn4)Cc5cccc(F)c5 -MOL_01_009337,c1ccccc1C(N=C(N)N2)n(c23)nc(n3)NC(=O)c4ccccc4 -MOL_01_009338,CCCCCc(n1)nc(C)c(c12)nc(C)n2Cc3cnccn3 -MOL_01_009339,CCc(c1)ccc(c12)nc(c(c2)CN)CCC(=O)N3CC(=O)Nc(c34)cccc4 -MOL_01_009340,c1ccccc1C2(CCCCC)NC(=N)N(C2=N)Cc3ccccc3 -MOL_01_009341,COc1ccc(cc1)C2CN(c3ccccc3)C(=N)C2CC(=N)Cc4ccccc4 -MOL_01_009342,C=C(O)c(c1)ccc(c12)CC(=O)C2(C)C3CC(=O)c(c34)cccc4 -MOL_01_009343,Cc1cc(CON)c(CN)c(n1)CCC(=O)Nc2cccc(c23)cccn3 -MOL_01_009344,c1cccc(c12)nc(C(N)(N)N)cc2C(C)c3ccccc3 -MOL_01_009345,CCc1cccc(c1)NC(=O)Cc2ccc(cc2)CCc3nc(N)cc(n3)N -MOL_01_009346,O1COc(c12)cc3c(c2)cc(CC)c(n3)CCC(=O)Nc4cc(C)on4 -MOL_01_009347,Nc(n1)ccn(c12)nc(n2)CCc3c(F)ccc(c34)cccn4 -MOL_01_009348,c1ccccc1-c(n2)c(CCC)nc(c23)C(C)CN=C3N -MOL_01_009349,FC1(C)CCCC1Nc2c(C(=C)N)ccn(c23)cc(c3)N4CCCCC4=C -MOL_01_009350,COc1ccccc1C(=N)C2CCCC(C2)Cc3cccc(c3)OCCO -MOL_01_009351,NCc1ccc(Cl)cc1CC(=O)c(c2=O)cnc(n23)CCC3 -MOL_01_009352,Cc(n1)cc(C)n(c12)nc(O)c2NNc3cccc(C(F)(F)F)c3 -MOL_01_009353,Nc1ccc(nc1)N2C(N)C=CC2c3c(N)cccc3N -MOL_01_009354,CCCCCCCC(O)Cn(c1O)cc(c12)nc(C)cc2C -MOL_01_009355,CNC(C)Cn1cnc(c12)c(ncn2)CC(N)Cc3ccccc3 -MOL_01_009356,NN1NNNNC1CC(=C)CC(C)Cc(c2)ccc(c23)N(C)C(=C)N(C)C3=C -MOL_01_009357,CCC(=O)Cc1ncnc(c12)n(cn2)C(=O)Cc3ccccc3 -MOL_01_009358,C1CCC1C(C)CC(O)Nc2n(cnc2C)-c3ccc(cc3)-c4ccc(cc4)C5(C(O)O)CC5 -MOL_01_009359,Cc1c(F)cc(cc1F)CCCC(C2O)=NC(O)c(c23)cccn3 -MOL_01_009360,NCc(c1Cl)c(CN)c(F)c(c12)c3c(CC(C)C(C2)C)cc(CN)c(CN)c3CN -MOL_01_009361,Fc1cc(ccc1)-c2ccn(c23)c(cc(n3)C)NCc4ccccn4 -MOL_01_009362,Oc1ccc(cc1C)CC2CC(NC(C)C)N(C2=O)c3ccccc3C -MOL_01_009363,c1cncc(c12)cccc2CN(C)CC(O)CNCc3ccc(Cl)c(Cl)c3 -MOL_01_009364,c1ccccc1C(C)N(C(=O)C2)C(=O)C2(C(F)(F)F)CC(=O)c3cccnc3 -MOL_01_009365,CC(N)Cc1cccc(c1)CC(N)c2cc(-c3ccccn3)nc(c24)ccc(Cl)c4 -MOL_01_009366,C=C1NC(N)(N)NC(=C12)CC(C)=C(CN)C2c3ccc(cc3)CC(=C)N4CCCCC4 -MOL_01_009367,NCc1ccc(nc1)N(CCC2)CC23CCN(C3N)c4cncnc4 -MOL_01_009368,c1cccc(c12)ccc(c2)C(=O)CC3(O)C(=O)Cc(c34)c(F)ccc4F -MOL_01_009369,NCc1ccc(cc1)C(Cc(n23)ncc3)CC2c4cc(CN)ccc4CN -MOL_01_009370,c1cccc(c12)CN(C2)C(=N)Nc3ccc(cc3)C(=N)N4CCc(c45)cccc5 -MOL_01_009371,CCc1ccc(cc1)CN(C)C(=O)CCC(=O)c2c(C)nn(c2Cl)-c3ccc(F)cc3 -MOL_01_009372,C1CCCN1C(=O)C2CC(n3cnc(c3)C4CC4)CN2C(=O)CCCc5ccccc5 -MOL_01_009373,CNc1cccc(c1)-c2cc(cc(c23)cccn3)CNc4ccc(cc4)CCCN -MOL_01_009374,C=C(C)c1nn(c(N)c1Cl)CC(=C)N2CCN(CC2)c3ccc(Cl)c(c3)CN -MOL_01_009375,CCc(n1)cc(n12)nc(c(F)c2O)N3CCNCC3 -MOL_01_009376,Clc1ccc(cc1)C(N(C)C2=N)C23CCN(CC3)C(=N)Cc4cc(F)cc(F)c4 -MOL_01_009377,Clc1ccccc1Cc2c(C(=C)C)c(ncn2)CC(CC34)CC(CC3)N4C(=C)CC(N)(N)N -MOL_01_009378,C1CCCC=C1c2ccc(cc2C)N3CC(CC3=O)Cn4cc(nn4)CCN -MOL_01_009379,COc1c(OC)cc(cc1OC)-c2nnc(o2)C(O)(O)Cc3ccc(C)nc3 -MOL_01_009380,CNCn1cnc(c12)c(C)nc(n2)Nc3ccccc3 -MOL_01_009381,Cn1c(=O)n(C)c(c12)cc(cc2)CC(C3(C)C)C(=O)CC3(C)C -MOL_01_009382,Cc1cccc(c1)-c2nc(C)nc(N)c2Cc3c(N)ccc(c34)cccc4 -MOL_01_009383,NCc(c1F)c(F)c(F)c(c12)nc(nc2C)-c3ccc(C(F)(F)F)cc3 -MOL_01_009384,NCc1ccc(cc1)CCc2n(CC)c(nn2)-c3ccc(cc3)CN4CCCCC4 -MOL_01_009385,c1ccccc1CC(C(=O)CN)NC(=O)NCCc2ccc(CN)cc2 -MOL_01_009386,CC(=O)CCc1nc(=O)c(CC)c(C)n1-c2ccccc2F -MOL_01_009387,c1cccc(c12)CCCC2C(=N)Cn3cc(CN)c(c34)cccc4 -MOL_01_009388,C1CC1Cc(nc(Cl)n2)c(c23)ncn3CC4CC4 -MOL_01_009389,C=C(C)c(n1)cn(c12)CC(NC2)Cc3ccc(cn3)-c4ccc(CN)nc4 -MOL_01_009390,C1CCCCC1C(=CC=2)C(C23)=CC(=NC3=O)Cc4ccccc4-c5cncnc5 -MOL_01_009391,NCc1cccc(CN)c1C2CCCC(N)N2Cc3cccc(c3)-n4cccn4 -MOL_01_009392,NCCC(N)c(c1Cl)cnc(n12)nc(n2)CCc3ccccc3 -MOL_01_009393,NCCCNC(=C)C(c(c12)cccc2)N(C1=C)CC(C)(N)c3ccc(C)cc3 -MOL_01_009394,CCN(CC)C(O)c(cc(C(=C)O)c1O)c(n12)nc3c2cccc3 -MOL_01_009395,Cn1cnc(c12)C(CCN)C(CC2)C(=O)c3ccc(CN)c(F)c3 -MOL_01_009396,Cc1cccc(c1)NC(C)(C)C(=O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_009397,Oc1ccccc1-c2nc(C)c(CN)c(c2)C3CCCCC3 -MOL_01_009398,Cc1ccc(cc1C)NC2Nc(cccc3)c3C24CN=C(C4)CN -MOL_01_009399,NCc1ccc(cc1C)Cn2cnc(c23)c(C(C)C)nc(n3)C(F)(F)F -MOL_01_009400,NCc1ncc(cc1)NC(=C)C(C2)Cc(c23)nccc3-c4cccc(F)c4 -MOL_01_009401,c1cccc(c12)C=3C(=C2C)C=C(C3C(N)C(C)C)C(N)CC(C)C -MOL_01_009402,CCN(CC)c1nccn1-c2ccc(ON)c(c2)CNC3CCCNC3c4ccccc4 -MOL_01_009403,COc1ccc(cc1)CC(N)c2ccc(cc2)-c3ncccc3C -MOL_01_009404,C1CCOC12CC(C2)C(N)c3ccc(C(C4)CC4(F)F)c(n3)OCC5CC5 -MOL_01_009405,c1ccccc1CNc(nnc2C)c(c23)n(cn3)Cc4ccccc4Cl -MOL_01_009406,CC(=N)N1CCC(CC1)c2ccc(n23)cncc3CCCc4ccc(F)c(F)c4 -MOL_01_009407,C=C(O)c1cn(CC)nc1C(O)Cc2c(C)nn(c2C)Cc3cccc(F)c3 -MOL_01_009408,CCCCc1nc(CN)c(C(=N)O)n1Cc2ccc(cc2)-c3ccccc3CNC(C)=N -MOL_01_009409,NOc1ccc(cc1)NC(O)NC2CCN(CC2)c3cc(N)nc(c34)ccc(F)c4 -MOL_01_009410,c1ccnc(c12)c3c(cc2CN)c4c(CN3)ccc(Cl)c4 -MOL_01_009411,Clc1cccc(c12)C(C)(C(N2)O)Cc3cccc(c3)CN -MOL_01_009412,CCc(n1)ccc(c12)ccc3c2C(NN3)CCC(N)CC -MOL_01_009413,Fc1c(F)c(F)ccc1CNC(=N)Cc2c(N)nc(n2CN)-c3ccccc3 -MOL_01_009414,NOc(c1)ccc(n2)c1c(c(c23)cccc3)CCCn4ccnc4 -MOL_01_009415,CCC(=O)c1ncn(c1C(=O)CC)C(CC)C(=O)Cc2cc(C)ccc2CC -MOL_01_009416,Cc1ncccc1Cc2ccc(cn2)NC(N)N3CCc(c34)c(Cl)ccc4 -MOL_01_009417,c1cccc(c12)C(=O)CC2NC(=O)Cc3cc(Cl)ccc3N4CNNC4 -MOL_01_009418,NOc1ccc(cc1)-c2nnc(n23)ccc(n3)CCC(O)N4CCN(CC4)c5ccccc5 -MOL_01_009419,C1CC1CC(=N)c2c(CN)c(C)nc(c2)-c3ccc(Cl)cc3Cl -MOL_01_009420,Cc1cccc(c1)-c2ccc(c(n2)N)C(N)NCCN3CCCCC3 -MOL_01_009421,Nc1cnc(cn1)-c2ccc(C3CC3)c(c2F)Cc4nccc(n4)N -MOL_01_009422,Cc(c1)ccc(c12)cc(CN)c(n2)CCC(=N)N3CCCc(c34)cccc4 -MOL_01_009423,Cc1cc(C)n(c(=O)c1CN)CC(=O)Cc2ccc(Cl)cc2C(=O)CN -MOL_01_009424,NCCC(=C)CCCCc1ccc(CN)c(c1)Cc(c2N)cnc(c23)nc(C)nc3C -MOL_01_009425,COC(N)c1cnc(cn1)N2CCN(CC2C)c3ccc(c(C)c3C)Cc4ccccc4 -MOL_01_009426,Cc1ccc(cc1)-c2nc(nc(C)c2CN)CCc3cccc(F)c3F -MOL_01_009427,NCc1ccc(cc1CN)C(O)Cn(c2)ccc(c23)c4c(n3)cccc4 -MOL_01_009428,c1ccccc1C2NCN(CN2)CN(N3)CN4c(cccc5)c5Nc(c6C34)cccc6 -MOL_01_009429,CCc1ncnc(c12)n(cn2)CCCN3CCN(CC3)c4ccc(ON)cc4 -MOL_01_009430,c1ccccc1-c2cnc(cc2)NC(O)Cn3cnc(c3)-c4ccccn4 -MOL_01_009431,c1ccccc1-c2ccnc(c23)CC(C3)(C)C(=O)NCc4cccc(Cl)c4 -MOL_01_009432,Cc1cc(C)c(c(C)c1)NC(N)Cn2c(nc(c23)cccc3)CCC(N)NCc4ccccc4 -MOL_01_009433,Cc(c1)cnc(c12)C=CC(=C)N2CCN3CCC(CC3)NCc4cnc(C)c(C)c4 -MOL_01_009434,CCc1ccccc1NC(=O)CCc2cccc(c23)ccc(n3)C -MOL_01_009435,CC(C)(C)NC1=C(C(N)=C1N)Nc2ccnc(n2)Nc(c3)ccc(c34)c5c(C4)cccc5 -MOL_01_009436,COc1cc(OCCO)cc(c1)C(CCCO)c(c2)ccc(c23)ncc(n3)-c4cnn(C)c4 -MOL_01_009437,NC1CCc2cc(cc(CC3)c2C13)-c4cncc(c4)C(N)(N)N -MOL_01_009438,Cc1ccc(cc1)-c2nc(N)c(N(CCN)CCN)c(c23)cccc3 -MOL_01_009439,c1cccc(c12)c(cc(n2)C)CC(N)Cc3cccc(c3)CN -MOL_01_009440,C1CCCCN1c2cc(O)nc(n2)CC(O)Cc3ccccc3F -MOL_01_009441,Clc(c1)ccc(c12)Cc3c(cccn3)C(=N2)NCCN4CCCCC4 -MOL_01_009442,NCc(cc1)cc(CC2)c1C(C23C)=C4C(C3)=CC(=O)C(=C4)CN -MOL_01_009443,NCCCNc1cc(c2c(c13)nccc3)c4c(CN2)cccc4 -MOL_01_009444,c1nc(C)cc(c12)c(cc(F)c2)NC(=N)NC3CC(CF)(CF)Cc(c34)cc(Cl)cc4 -MOL_01_009445,CCCCCCn1cc(CN)c(c12)c(C)ncn2 -MOL_01_009446,NC(O)Cc1ccc(cc1)-c2cc(CC)c(cc2)C(C)CCc3c(N)nc(N)nc3CC -MOL_01_009447,Cc(c1)cnc(n12)c(cn2)C(O)Nc(c(c3)CN)cc(c34)cccn4 -MOL_01_009448,Cn1cccc1Cc2nnc(n2-c3ccc(cc3)OC)CCC(N)Nc4ccc(C)cc4C -MOL_01_009449,NCc1cncc(CN)c1C2CCCC(=O)N2Cc3cccc(c3)-c4ccccc4 -MOL_01_009450,C1CNCCN1C(=O)C(CC2CCCN2)c3ccccc3 -MOL_01_009451,CCC(C1)=Nc(cccc2)c2c(c13)nnc(n3)CN -MOL_01_009452,n1cccc(c12)c(N(C)C(C)O)cc(c2C)C(O)NCc3ccc(F)cc3 -MOL_01_009453,NNCC(=O)Cc(nc1C)cc(c12)CC(N)C(=N2)NCc3ccccc3 -MOL_01_009454,Cc1nc(N)nc(c12)NCCN2C(C)c3ccccc3 -MOL_01_009455,Clc1ccc(cc1)CCCC(=O)NC(C(=O)N2CCCCC2)CCNc3ccncc3 -MOL_01_009456,NOc(cc1)cc(c12)c(cc(n2)C)-n3cnc(c3)CNC(N)c4ccc(F)cc4 -MOL_01_009457,CC(C)NC(O)Nc1ncc(n1CCCN)-c2cccc(c2)CN -MOL_01_009458,c1ccccc1C2CCC(=N)N2c3ccnc(n3)NCc4ccccc4 -MOL_01_009459,c1ncncc1NCC(C)CCc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_009460,Cc(c1)ccc(c12)C(=O)C(O2)Cc(c3=O)coc(c34)ccc(c4)C -MOL_01_009461,CC(C)CCCc1c(C(=O)CCN)cnc(c12)c(Cl)ccc2 -MOL_01_009462,CCCn1c(C)cc(c1C)C(=N)CCC(=N)c2cc(C)nc(c23)cccc3 -MOL_01_009463,NCCc1ncn(c12)CCC(C2)C(=O)c(n3)ccc(c34)cccc4 -MOL_01_009464,NCn(c1)ccc(c12)cc(n2)C(=O)NCCc3ccccc3 -MOL_01_009465,c1cccc(c12)CCC(=C)N2CC(=C)N(C3CCCC3)Cc4ccc(CN)cc4CN -MOL_01_009466,c1cccc(c12)n3c(cc2C)nnc3CC4CCOC4=O -MOL_01_009467,OC(O)C(=C1C)N=C(C1=2)C(=CC2)c3cccnc3 -MOL_01_009468,Fc1ccc(cc1F)C2NC(=N)NC(C)=C2C(=N)NCCCN3CCC(CC3)c4ccc(F)cc4 -MOL_01_009469,CCCC(=N)c1c(C)nc(CCC)nc1-c2ccccc2 -MOL_01_009470,NCNCCCc1cncc(c1)-c(c2)ccc(c23)cncc3 -MOL_01_009471,CCCn1c(C)cc(c1C)C(N)CCC(N)c2cc(C)nc(c23)cccc3 -MOL_01_009472,c1cccc(c12)nc(CC)n2CC(N)c3cc(C)n(C)c3C -MOL_01_009473,O=C(C)C(C1=O)=CC(C)(C)c(c12)cc3c(c2)CNC3 -MOL_01_009474,c1cnccc1C(=N)c(c2=N)cn(c(c23)ccc(c3)C)CC(=N)Nc4ccc(Cl)cc4 -MOL_01_009475,c1nc(C)cc(c12)c(c(F)cc2)NC(N)NC3CC(CF)(CF)Cc(c34)cc(Cl)cc4 -MOL_01_009476,CC(=O)Nc1ccc(cc1)C(=O)N2CCCc(c23)nc(C)cc3 -MOL_01_009477,c1cccc(c12)c(O)nc(n2)CCc3n(CC)c(cc3)C(C)NC(N)c4ccccc4 -MOL_01_009478,Cc1nc(C)c(C(C)O)c(n1)NCc2cccnc2 -MOL_01_009479,CCCCCCc(c(C)c1CC(C)=N)nc(c12)ccc(c2)N -MOL_01_009480,Oc(c1)ccc(n12)nc(O)c2C(=C)N3CC(C3)Cc4ccccc4CN -MOL_01_009481,c1cccc(c12)CCC(NC(=N)C(C)NC)C(=N)N2CCc3ccccc3 -MOL_01_009482,CC1=CCc(c12)cccc2NC(=O)c3cccnc3N -MOL_01_009483,CC(C)Cc1ccccc1Nc2nc(ncc2Cl)Nc3cccc(c3)NC(O)C4CNC4 -MOL_01_009484,c1ccncc1CN(CC)CC(C)(C2)Cc(c23)nc(N)nc3N -MOL_01_009485,c1ccncc1-c2c(CN)c(C)nc(n2)NC3CCCCCC3 -MOL_01_009486,Cc1cccc(c1)-c(n2)cnc(c23)c(C)nc(n3)C -MOL_01_009487,Cc1c(N)nc(CC(C)C)nc1C(C)c2c(N)cccc2N -MOL_01_009488,CC(C=1)=Nc(c12)c3c(cc2)=NC(=C3)NC(=O)c4ccc(cc4)CN(C)C -MOL_01_009489,C1CCCN1C(=O)C(N)C2CCC(CC2)NC(=O)CCc3ccc(Cl)c(Cl)c3 -MOL_01_009490,NCc(c1C)c(=O)n(C)c(c12)nc3c(c2)cccc3 -MOL_01_009491,NCc1ccc(cc1)-n2cnc(F)c2-c3ccc(CN)c(F)c3 -MOL_01_009492,Cc(n1)cc(C)c(c12)cc(cc2CN)-c3ccccn3 -MOL_01_009493,c1cncn1CCCNC(=O)Cn2cnc(c23)c(ncn3)CCc4ccccc4 -MOL_01_009494,Cc1cccc(c1)-c2nnc(n2C)CCC(O)NCc(c3)ccc(c34)CCC4 -MOL_01_009495,Cc1cccc(c1)CNc2ccc(cc2)C3C(C(=N)CC(C4)(C)C)=C4NC(=C35)CC(C)(C)CC5=N -MOL_01_009496,Cc(c1)ccc(c12)C3C(NC2)c4c(C3)cc5c(c4)N=NC(C5)(N)N -MOL_01_009497,Clc(c1)ccc(c12)Cc3c(NC2)c(ncn3)N4CCCCC4 -MOL_01_009498,CCC(=O)c1ccc(cn1)-c2ccnc(c23)cc(cc3)CC -MOL_01_009499,COc1ccccc1C(O)N2CCCC(C2)c3nc(ncc3C)CCCN4CCOCC4 -MOL_01_009500,Oc1ccc(cc1Cl)C2NC(=N)NC(CC)=C2C(=N)CCc3ccccc3 -MOL_01_009501,Fc1ccc(cc1)C(=N)CCCC(=N)Nc(c2N)ccc(c23)cc(cn3)CN4CCCC4 -MOL_01_009502,n1ccnc(c12)c(C)c3c(c2C)C(=O)N(C3=O)Cc4ccc(cc4)-c5ccccc5 -MOL_01_009503,c1cccc(c12)nc(C)c(n2)CCC(O)NC(O)Nc3c(C)nn(c3C)-c4ccccc4 -MOL_01_009504,n1cccnc1CN(C2=O)C(C)CCc(c23)ccc(c3)-c4ccc(C(F)(F)F)cc4 -MOL_01_009505,COc1ccccc1CCC(=N)Cc(c2)ccc(c23)n(n(C)c3=N)Cc4ccc(F)cc4 -MOL_01_009506,NCc1ccc(c(c1)CN)-n2ccnc2CCC(O)Cc3cc(Cl)ccc3CN -MOL_01_009507,c1cccnc1-c2n(cnc2C(C)O)Cc3cccc(C(F)(F)F)c3 -MOL_01_009508,c1ccccc1CCC(N)CC(C=2)=Nc(c23)c(F)cc4c3=CN=N4 -MOL_01_009509,NCC(CN)C(O)c(cc(C(=C)O)c1O)c(n12)nc3c2cccc3 -MOL_01_009510,C1CC(=O)c(c12)ccc(c2C)C(C)CN(CC3)CCC34CC(C)N(C4=O)C5=CC(=O)CC5 -MOL_01_009511,CC(=O)c1cc(nc(n1)N)-c2ccc(c(c2)CN)CCC(C)C -MOL_01_009512,COc1ccc(cc1)-c2c(N)nnc(-c3ccccc3)c2-c4ccccc4 -MOL_01_009513,C1CCCCN1C(=N)CCc(nc(c23)cccc3)c(=N)n2CCc4ccccc4 -MOL_01_009514,CC(C)NC(=O)C(C=1)=CC(C12)=NN=C2NC(=O)c3ccc(cc3)N4CCN(C)CC4 -MOL_01_009515,CN1CCN(CC1)C(=O)c2ccc(c(Cl)c2)NC(=O)C3=CC=C(C3=4)C(=O)N=CN4 -MOL_01_009516,c1cccc(c12)c(nc(n2)CC)C(C)c3ccc(CN)nc3 -MOL_01_009517,Cc1cccc(c1)-c2nnc(n2C)CCC(=O)NCc(c3)ccc(c34)CCC4 -MOL_01_009518,C=C(C)NC1(CCC1)CC(=C)c2cc(CCC(F)(F)F)c(cn2)C3(F)NNN3 -MOL_01_009519,NCc1ccc(cc1)Nc2nc(N)nc(c23)c(CN)ncc3 -MOL_01_009520,Cc1cc(cc(c1)C)NC(=C)CCc2nnc(Cc3cccn3C)n2-c4ccc(CN)cc4 -MOL_01_009521,CC1CC=C(CC1)c2c(O)cc(O)c(c23)c(O)cc(c3)-c4ccncc4 -MOL_01_009522,c1cncnc1C2=CC(=C)N(C)C(=N2)N3CCNC(C3)c4cccc(Cl)c4 -MOL_01_009523,CCC(N)c1cc(C(N)C2CC2)n(c13)ccc4c3cccc4 -MOL_01_009524,C1CC1CC(N)COC(N)c(c(c23)cccc2)cc(n3)-c4ccc(C)cc4 -MOL_01_009525,Nc1nc(ccn1)-c2cc(CN)c(cc2)CCc3ccccc3C(F)(F)F -MOL_01_009526,Nc1ccc(cc1)-c2nnc(n23)CCC(=C3)c4ccccc4 -MOL_01_009527,N=C1CC(C)(C)CC(=C12)N=C(C)NC2c3ccc(C)cc3 -MOL_01_009528,CCCCCc1cnc(cn1)C(O)Nc2cccc(c2)C3(C(F)F)CCCC(=N3)N -MOL_01_009529,NCCCn1nc(c(c12)CC(C(N)N)CC2)Cc3cccc(N)c3 -MOL_01_009530,C1CCCC1c(nc2N)nc(c23)CCC(C3)C(=O)C4CCCCC4 -MOL_01_009531,c1cccc(c12)c3c(c(c2)N)C(CC(O3)(C)OC)c4ccc(C)cc4 -MOL_01_009532,Cc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)CCC(C)CN4CCNC4C -MOL_01_009533,Cn1cc(cn1)-c(n2)ncc(c23)ncn3Cc(c4)ccc(c45)nccc5 -MOL_01_009534,CCN(CC)Cc1cccc(c1)C(=O)CCN(C(O)C2)c(c23)cc(Cl)cc3 -MOL_01_009535,Cc1ccc(cc1)C2=C(C(C)CC2=O)c(c3)ccc(c34)CCC(=O)N4 -MOL_01_009536,c1ccncc1CNC(=O)C(C2)Cc(c23)nccc3-c4ccc(Cl)cc4 -MOL_01_009537,C=C(N)CC1(CCC1)NC(=C)c2cc(CCC(F)(F)F)c(cn2)N(C3)CC3(F)F -MOL_01_009538,Clc1ccc(cc1)C(CCN(C)C)NC(N)c2cccc(c2)-c3ccc(CN)cc3 -MOL_01_009539,C1CCCCN1C(O)n2nc(nc2CCC(F)(F)F)-c3ccc(Cl)cc3 -MOL_01_009540,CN1CCC(C1CO)c2c(O)cc(O)c(c23)c(N)cc(c3)-c4ccccc4Cl -MOL_01_009541,CC(C)CC(C(=O)N(C)C)NC(=O)c1cnc(N(C2)CC2(F)F)c(n1)CCC3CC3 -MOL_01_009542,CCCc(n1CC)nc(c12)C(N)c3c(C2N)cccc3 -MOL_01_009543,C1CCc(n12)c(CN)c(C)c2C(=N)Cc3ccc(Cl)cc3 -MOL_01_009544,NCc1ccc(cc1)-c2nnc(n23)CCC(=N3)c4ccccc4 -MOL_01_009545,CCCC(=C)c(c1C)cnc(n12)nc(n2)NCc3ccc(CN)c(c3)CN -MOL_01_009546,CC1=CC(C)(C)Nc(c12)ccc(c2)CC(=N)CCN(C3=N)C(=N)c(c34)cccc4 -MOL_01_009547,Nc1cc(N)nc(n12)nc(n2)C(=N)Cc(c3)ccc(c34)CCC4 -MOL_01_009548,c1cc(Cl)cc(c12)C(N)C(N)N2Cc3ccc(C(F)(F)F)cc3 -MOL_01_009549,C12CCC(CC1)CC2C(CC3)C(=N)c4cc(F)cc(cn5)c4n35 -MOL_01_009550,Fc1ccc(cc1)CNC(=C)C2=C(C)C(=C)N(C)C(=N2)C(C)(C)NC(=C)N(C)C -MOL_01_009551,COc1cccc(c1)CNC(N)c(n2)nc(N)c(c23)c(ccc3)COCc4ccccc4 -MOL_01_009552,NC(N)(N)CCC(N)C(C)c1cccc(c12)nccc2 -MOL_01_009553,CN(C)CCCN1C(=N)C(C(=N)c(c12)cccc2)CCN3CCN(CC3)c4ccccc4 -MOL_01_009554,c1ccccc1C(C(C)=N)NC(=N)c(n2C)cc(c23)cc(F)cc3 -MOL_01_009555,C=C(C)c1cccc(c1N)C(=C)Cc(n(n2)C(N)(N)N)c(c23)CC=C3 -MOL_01_009556,Cc1ccc(N)c(c12)CCCN2C(=N)Cc3c(C)nn(C)c3C -MOL_01_009557,NCc1ccc(cc1)-c2nccn2-c3ccc(N)cc3N -MOL_01_009558,CCC(C)CC1(C)CCc2c(CN)c(CN)cc(c2c13)ccn3 -MOL_01_009559,c1ccccc1C2=C(C(=O)CCC)C(C(=C(C2)C)CN)c3cccnc3 -MOL_01_009560,Cc1cc(C)nc(n12)nc(n2)C(=C)Nc3ccc(cc3)CN(CC)CC -MOL_01_009561,c1ccccc1-n2c(=O)c(c(N)n2C)CC(=O)C3CCCCCC3 -MOL_01_009562,CCC1(CC)CC(N)N(C)c(c12)ccc(c2)Nc3ccc(CN)c(F)c3 -MOL_01_009563,Fc1ccccc1-c2ccn(c23)c(cc(n3)C)NCc4ccccn4 -MOL_01_009564,Clc1ccc(cc1)NC(=O)Nc2cc(-c3ccnn3C)c(cc2)CCCN4CCC(O)CC4 -MOL_01_009565,NCC1(CC1)n2cnc(c2)C(C3CCCCC3)NC(N)c4ccc(N)nc4 -MOL_01_009566,Cc1cc(ccc1)C2NC(=N)NC(CCC)=C2C(=N)CCc3ccc(cc3)C(=N)N(C)C -MOL_01_009567,NCc1ccc(c(n1)CN)Cc2nc(Cl)cn(c2=O)C(N)C3CC3 -MOL_01_009568,Cn1c(CN)ccc1-c(c2)ccc(c23)C(C)(N)CC3(C)C -MOL_01_009569,Cn1ccc(c12)cc(cc2)C(O)c3ccnc(c34)cc(CN)c(c4)CN -MOL_01_009570,NCCCn1ccnc1C(c2ccccc2CN)N3CCN(CC3)c4ccccc4F -MOL_01_009571,C=C(O)c(n1)cn(c12)CC(CC2)CC(O)CCc3ccc(cc3)-c4ccc(C(F)(F)F)nc4 -MOL_01_009572,NCc1cc(C(F)(F)F)ccc1-c2ncc(CN)c(c23)cc(cc3)CCc4ccncn4 -MOL_01_009573,CCc(c1)cc(C)c(c12)C(O)C3=C(C2O)N=NCC3 -MOL_01_009574,Fc1ccc(cc1)Cn2c(C)cc(c23)nc(nc3F)NC(O)C(C)(C)C -MOL_01_009575,NC(C1)COc(c12)ccc(c2)CC(N)C3CCC(CC3)c4ccc(F)c(F)c4 -MOL_01_009576,c1cccc(c12)n3c(n2)Cc4c(N=C3C)cc(cc4)CN -MOL_01_009577,CCC1CC(N=N1)n(c(n2)O)cc(c23)cc(c3)C -MOL_01_009578,NC(N1)CCc(c12)ccc(c2)C(=Cn(c34)ccc4)C(C3)Cc5ccccc5 -MOL_01_009579,Cc1cccc(c1)NC(=O)CN(C)C(=O)c(c2)ccc(c23)N4C(=NC3)CCCCC4 -MOL_01_009580,Cc(n1)cn(c12)c3c(n2)n(c(O)nc3O)Cc4ccccc4 -MOL_01_009581,c1cccc(c12)c(=C)c3c(c2=C)n(c(n3)N)C4CCCCC4 -MOL_01_009582,c1ccncc1-c2c(CC)c(CC)cc(c2)NC(=O)Nc3ccncc3 -MOL_01_009583,Cc1cc(F)ccc1OC2(C(N)O)CCC(CC2)Cc3cccnc3C -MOL_01_009584,O=C1CCC(=N1)N2N=C(c3ccc(Cl)cc3)CC2c4ccccc4 -MOL_01_009585,Nc(c1)ccc(c12)nc(N)c(CCC)c2-c3ccccc3N -MOL_01_009586,N=1C=Nc(c12)nc=3c(n2)c4c(N3)cccc4 -MOL_01_009587,NCc1ccc(cc1)CCNC(=C)C(=C)Nc(c2)cc(c3c24)CCCN3C(C4)=C -MOL_01_009588,Cc1ccc(F)cc1CC2CN(C2)c3nnc(C)n3-c4ccc(CN)nc4 -MOL_01_009589,Cc1ccc(cc1)-n2c(C)cc(=O)nc2CCC(=O)N3CCCCC3 -MOL_01_009590,CC(=O)c1ccccc1CCc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_009591,NCc(c1)ccc(c12)nc3n2C(O)CC3 -MOL_01_009592,CNc1ccc(cc1NC)C(CCC)C(N)c(c2NC)ccc(c23)NC(C)(C)CC3 -MOL_01_009593,CNC(=O)C(CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(n1)CCC3CCCC3 -MOL_01_009594,NCC1(CC1)n2cnc(c2)C(C3CCCCC3)NC(=O)c4ccc(C(F)(F)F)cc4 -MOL_01_009595,CCOc1ccc(cc1OCC)CC(N)Nc(c2)ccc(c23)Cc4c(C(N)N3C)cccc4 -MOL_01_009596,CCC(=O)N1NCC(CN1)c2nc(cnc2C)-c3cc(CC)c(CC)c(c3)CC -MOL_01_009597,NCc1c(CN)cc(cc1CN)C2C(C(O)CC3)=C3Cc(c24)cc5c(c4)CCC5 -MOL_01_009598,Fc1ccc(F)c(c1)CCC2NNc(c23)ccc(n3)N4CCNCC4 -MOL_01_009599,c1ccccc1Cc2c(NC)cn(c23)c(cc(n3)C)NCCCN(C)C -MOL_01_009600,N1NNNNC1CC(=O)C(c(c23)cccc3)N(C2=O)Cc(c4)ccc(c45)CCC5 -MOL_01_009601,CCc1c(C)nc(N)n(c12)c(nn2)CCC(=O)CC3CCCCC3 -MOL_01_009602,C1CCCC1N(CC2)C(=N)c(c23)ccc(n3)NNc4ccc(Cl)cc4 -MOL_01_009603,Cn1nc(CN)c(c12)CCCN(C2)C(=N)c(n3)ccc(c34)cccc4 -MOL_01_009604,CCCN1CCCC(C12)c3c(CC2)nnc(n3)C(=O)CN -MOL_01_009605,C1CCCC12N(C)C(=N)N(C2)c3ccc(cn3)CCc4ccccc4 -MOL_01_009606,NCc(cc1)cc(c12)c(cc(n2)C)-n3cnc(c3)CN4CCN(CC4)C(=O)C5CC5 -MOL_01_009607,CCOC(N)C1CCC(CC1)C(N)c2cnn(-c3ccc(F)cc3)c2-n4cccc4 -MOL_01_009608,Cc1cccc(c1C)CCC(=O)CCC(=O)c2c(C)n(C)c(=O)n(C)c2=O -MOL_01_009609,C=C(O)c(n1)cn(c12)CC(CC2)Cc3ccc(nc3)-c4ccc(F)cc4 -MOL_01_009610,Cc1cccc(c1)-n2nnnc2CCC(=O)c3cc(C)n(c3C)CC4CCCC4 -MOL_01_009611,O=C(O)CCCC(=O)Cc1ccc(C)cc1-c(c(n2)O)nc(c23)cccc3 -MOL_01_009612,C1CCCCC1C(C=2)=CC(=O)c(c23)cc=4c(c3C)C=C(C4)CC5CNNC5 -MOL_01_009613,CCc(c1)ccc(c12)nc(C)cc2-n3cnc(c3)CNC(=O)c4ccc(F)cc4 -MOL_01_009614,CC(=C1)CC(N)=NC1(C)c2cc(ccc2F)NC(N)c3ccc(Cl)cn3 -MOL_01_009615,Nc1ccc(c(N)c1)C2C(=O)NC(C2=O)C3CCC(CC3)Cc4ccccc4 -MOL_01_009616,CC1CCCCN1C(=O)CCc2nnc(-c3ccco3)n2CCCON -MOL_01_009617,Cc1cnc(cn1)-c2ccc(c(CN)c2N)C3CCC3 -MOL_01_009618,NOc1c(F)cc(cc1)Cc2c(C(C)N)cnc(c23)cc(cc3)-c4ccncc4 -MOL_01_009619,COc1cccc(c1)N2CCN(CC2)C3=C(Cl)C(=N)N(C3=N)c4cccc(C(F)(F)F)c4 -MOL_01_009620,Cc(n1)ccc(c12)nc(n2C)NCc3ccc(cc3)CC4CC(=O)CC4=O -MOL_01_009621,NCc1cc(cc(c1C)CN)C2c(cc3c(c4)CCC3)c4CC(N)(N)CC(=C25)CCC5=C -MOL_01_009622,Clc1c(C)cc(Cl)c(c12)c(C(=O)CN)cc(n2)C(=O)CN -MOL_01_009623,c1cccc(c12)c(cc(n2)C)C(=O)CCC(=O)Nc3ccc(Cl)cn3 -MOL_01_009624,Cc1cccc(c1C)-c2ccc(cc2)CN(CN)C(C)C(=O)NC(CN)CC(=O)N -MOL_01_009625,C1OOCN1C(=O)c2c(CC)c(N)nc(c2)-c3ccc(Cl)cc3 -MOL_01_009626,NC(N)c(n1)cc(C(N)N)c(c12)cccc2-c3cccc(c34)cccc4 -MOL_01_009627,CC(=O)C1CCN(CC1)c2ccc(F)cc2CC(=O)CC(=O)c3cc(F)c(F)cc3Cl -MOL_01_009628,NOc1ccc(cc1ON)C(=N)c(c2=N)cn(c(c23)cccc3)Cc4ccccc4 -MOL_01_009629,Cc1cc(C)c(c(C)c1)-c2cnc(C)n2-c3ccc(ON)cc3 -MOL_01_009630,Cc1ccccc1C2N=C(C(O)=Nc(c23)cccc3)CC4C=Nc(c45)cccc5 -MOL_01_009631,NCCCCC1(C(F)(F)F)CC(O)Nc(c12)ccc(F)c2 -MOL_01_009632,Cn1cccc1Cc2nnc(n2-c3ccc(cc3)CC)CCC(=O)Nc4ccc(C(=O)C)cc4 -MOL_01_009633,CCC(=O)c1cccc(c12)nc3c(n2)cccc3C(C(=O)CC)C(C)NNNC(C)C -MOL_01_009634,C1CC1Cn(nc2C(=O)C)c(c23)CCN(C3)CN4CCC(C)CC4 -MOL_01_009635,Cc(n1)ccc(c12)c(=N)c(cn2CC)C(=N)Cc3cccc(C)c3 -MOL_01_009636,c1cnccc1-c2nnc(n2CC)CCC(=O)c3cc(ON)ccc3ON -MOL_01_009637,Cc1cccc(c1C)CC(=O)CCC(=O)c2nn(cc2O)-c3ccccc3C(F)(F)F -MOL_01_009638,c1cccc(c12)CC(C(=O)C2CC(CC)CC)CC(=O)C(N=3)=CC(C34)=CC(Cl)=C4 -MOL_01_009639,CC(C)NC(O)N(C1)CC1(CCN)n2cc(C(C)O)c(n2)Nc3ccccc3 -MOL_01_009640,Fc1ccc(cc1)-c2nc(C)nc(c2)-c3ccc(CN)cc3C -MOL_01_009641,CC(N)c1nnc(n12)c3c(cccc3)c(n2)Cc4ccccc4N -MOL_01_009642,Cc1cccnc1NC(=O)c2cccc(c2)NC(=O)CC3CC(=NC3=O)N4CCCCC4 -MOL_01_009643,Fc1cc(ccc1)C(N)C(CC2)CCc(n23)ncc3Cn4cccn4 -MOL_01_009644,Cn1ccnc1-c(cc(n2)C)c(c23)cccc3CCc4c(Cl)cncc4Cl -MOL_01_009645,COc1cccc(c1)-c2cc(nc(n2)C)CC(CCO)c3cccc(c3)OC -MOL_01_009646,c1cncc(c12)cccc2CC(C)C(=O)N3CCN(CC3C)C(=O)c4ccccc4 -MOL_01_009647,Clc1cc(Cl)cc(C(N)C2)c1CC23CCN(CC3)C(N)c4ccccn4 -MOL_01_009648,n1ccnc(c12)C(N)c3c(C2N)nc(-c4ccccc4)c(n3)-c5ccccc5 -MOL_01_009649,Cc1ccccc1-c2nnc(n2CC)CCC(O)NC3CCCCC3 -MOL_01_009650,Fc1cc(F)ccc1C(C)(Cn2cncn2)Cc3cn(cn3)Cc4cc(CN)ccc4CN -MOL_01_009651,c1cccc(c12)nc3c(n2)C(N=C3C)C(N)c4ccncc4 -MOL_01_009652,c1cccc(cc2)c1c(c23)n(C(NC4N)NC(N4)N)nc3C(=C)N5CCCCC5 -MOL_01_009653,Clc1cc(ccc1)C2C(CN)=C(N)Cc(c23)cc4c(c3)CCN4 -MOL_01_009654,c1ccc(c12)nc(N)n(c2N)CCCCCC(N)N3CCN(CC3)C4CCCCC4 -MOL_01_009655,C1CCCCC1C(N)c2cnn(c23)CC(C3)c4ccccc4 -MOL_01_009656,CC(C)CNCC(O)CCc1c(C2CCC2)ccc(c1F)-c3cnc(N)cn3 -MOL_01_009657,CC(=N)c1ccccc1-n(c2)ccc(c23)c4c(n3)cccc4 -MOL_01_009658,CCc1ccc(cc1CC)CC(NC(=O)C)C(=O)NC2CCN(CC2)c3nccn3-c4ccccc4 -MOL_01_009659,Cc1cc(C)c(nc1CN)CC2=C(O)CC(CC2=O)c3ccccc3 -MOL_01_009660,CCc1ccccc1NC(=O)Cn2cccc2C3=NC(CC3)c4ccccc4 -MOL_01_009661,Cc1ccccc1CCCn2c(C)nc(c23)c(C)ncn3 -MOL_01_009662,CCCc1ccc(CN)cc1-c(c(C)c2)cc(c23)nc(C)nc3C -MOL_01_009663,Nc1ncc(cc1)C(=C)NCC2(C)CCN(C2)c3cc(NC)ncn3 -MOL_01_009664,CC(C)Cc1cc(ccc1Cl)CC(=O)CN(C(N)C2)c(c23)cccc3 -MOL_01_009665,C1CNCCN1CCCCN(C2=N)C(=N)c3cccc(c3c24)c(cc4)-c(o5)cc(=N)c(c56)cccc6 -MOL_01_009666,C1CC(N)CCC1(O)c(cc(c23)cccc3)n2Cc4ccc(Cl)cc4 -MOL_01_009667,C=C(C)c1ccccc1C(=C)Nc(c2)ccc(c23)N=C4N(C3=C)COOO4 -MOL_01_009668,NCc1ncc(cc1)-n2c(nnc2C)N3CC(C3)Cc4ccc(F)cc4Cl -MOL_01_009669,NC(N)Cc1c(F)cc(cc1)NC2=NC(=C)N(CCC)C(=C)N2Cc3ccc(F)cc3F -MOL_01_009670,c1cccc(c12)nc(C(=O)N)n2C(N)C(=O)c3ccccc3 -MOL_01_009671,Clc(c1)ccc(c12)c(cc(=O)n2C)CCC(=O)Nc3cccc(c3)CN -MOL_01_009672,CCc1cc(c(C)nc1C)C(C(F)(F)F)(CCCN)NNC2CC2 -MOL_01_009673,CCCCC1c(cccc2)c2C(c(c13)cc(nn3)C)CCCN -MOL_01_009674,CC(=O)CNC(=O)C(CC(N)N)CCC1CCCN1C(=O)CCc2ccccc2 -MOL_01_009675,Fc1ccc(cc1)C(=O)Cc2cc(cnc2Cl)-c(c3)ccc(c34)nncc4 -MOL_01_009676,c1cccc(c12)nc(C)c3n2c(nc3C(C)N)Cc4ccccc4 -MOL_01_009677,CCc(c1)c(CC)cc(c12)Cc3c(N2)c(=O)n(cn3)C -MOL_01_009678,O=C(O)CN(C)Cc1ccc(cc1)CC(=O)c2cc(ncn2)N(CC3CC3)C4CCCCC4 -MOL_01_009679,c1cnccc1C(=C)NCCn2ccnc2-c(c3)cc(n34)CNCCC4 -MOL_01_009680,c1cccc(c12)CC(N)N2C(N)CN3CCN(CC3)Cc4ccc(Cl)c(Cl)c4 -MOL_01_009681,CCCC(C)c1cc(CN)c(nc1C)N2CC(C2)C(C)NCCc3ccccc3 -MOL_01_009682,C=C(C)c1ccccc1C2=C(C(=O)CC2=O)Cc3ccc(Cl)c(c3)C(=O)C -MOL_01_009683,NCc1cc(CN)cc(c1)Cn2cnc(c2)C(O)c3cccnc3Nc4ccc(F)cc4 -MOL_01_009684,c1cccc(c12)c(cc(n2)C)C(=O)CC(C)C(=O)Nc3ccccc3F -MOL_01_009685,CCCNC(O)c1ccc(nn1)N2CCC(CC2)Cc3ccccc3Cl -MOL_01_009686,CN(C)c1ccc(cc1)-c2c(N)ncnc2CCc3ccc(nc3)N4CCCCC4 -MOL_01_009687,C=C(O)c(n1)cn(c12)CCC(C2)CN3CCC(CC3)c4ccc(F)cc4 -MOL_01_009688,OCCCCn1cnc(c1)Cn2ncc(c23)c(ncn3)CCc4ccccc4 -MOL_01_009689,CC(O)Cc1cccc(c1)-n2c(C(C)O)cc(c23)cccc3 -MOL_01_009690,Cc1c(C)c(C)nc(c12)n(c(=N)cc2)CCC(C)C -MOL_01_009691,CC(=O)C1(CC1)c2ccc(cc2)-c3ccc(cc3)-n4cnc(C)c4NC(=O)CC(C)(C)C -MOL_01_009692,CC(C)CCCC(=O)c(c1)ccc(n12)nnc2C3CCC(C3)C(=O)N -MOL_01_009693,n1cccn(c12)ncc2C(N)Cc3cc(Cl)ccc3-c4ccc(CO)cc4 -MOL_01_009694,CCCCCCn1c(C)nc(c12)c(C)nc(n2)C -MOL_01_009695,Cc1ccc(cc1)Oc2ccccc2CC(N)CCc(n3)nc(N)c(c34)cccc4 -MOL_01_009696,n1cccc(c12)c(cc(c2CN)CCC)Cc3cnc(N)nc3N -MOL_01_009697,CCCC(=O)c1ncn(c12)c3c(cccc3)c(n2)C4CCCCC4 -MOL_01_009698,CCC(O)C(O)c1c(C)c(C)nc(c12)cc(Cl)cc2Cl -MOL_01_009699,Cc1ccccc1OCC(O)Nc2ccccc2C(O)OCc(n3)cc(O)n(c34)c(C)cc4 -MOL_01_009700,O=C(C)c(n1)cc(nc1C)-c2cc(C(=C)O)c(cc2)CCC(C)C -MOL_01_009701,NCc1c(CN)ccc(c12)C(C3=C(C2)CCC3N)c4cc(Cl)cc(Cl)c4 -MOL_01_009702,C=C(C)c1ccc(cc1C)-n2cc(CN)c(c23)ccc(c3)CCCCNCN -MOL_01_009703,CCCC(=O)c1cc(C(=O)C)n(c12)ccc(c2)-c3ccncc3 -MOL_01_009704,c1ccccc1CCC(C(=C)N2C)=Nc(c23)cnc(n3)Cc4ccccc4 -MOL_01_009705,CC(C)c(c1)ccc(c12)nc3n(c2=N)cc(cc3)C(=N)NCCNc4ccccc4 -MOL_01_009706,c1cnccc1-c2ccc(cc2)C(N)(Cn3ccnc3)c4ccc(cc4)-c5ccccc5 -MOL_01_009707,CC(=O)CCC(C(=O)C)NC(=O)NC(C(=O)C)Cc1ccc(C)cc1 -MOL_01_009708,CCCCc1nc(nc(c12)n(C)nc2)Cc3cccc(c3)CC -MOL_01_009709,Clc1ccc(cc1)-c2nc(C)n(c2)C(N)c3cccnc3 -MOL_01_009710,c1ccccc1-c(c2=N)cnc(n23)c(ccc3)OCc4ccccc4 -MOL_01_009711,Cc1ccc(cc1)Cc2cc(C(N)OCC)c(nc2N)-c3ccccc3 -MOL_01_009712,c1ccccc1CC(C(=O)N(C)C)NC(=O)C(N=2)=CC(C23)=CC=C3 -MOL_01_009713,C1CCCN1C(O)CCc2n(C)c(nn2)-c(c3)ccc(c34)CCC4 -MOL_01_009714,C=C(O)c(c1)ccc(c12)n(cn2)CCCc3ccc(F)c(c3F)C(C)O -MOL_01_009715,c1ccccc1OCC(=N)NCc(c2)ccc(c23)N(CC3)C(=N)c4ccc(F)cc4 -MOL_01_009716,Cc1ccc(C)c(c1)N2C=C(CCC2=O)C(=O)Nc3cccc(c3)CN4CCCCC4 -MOL_01_009717,CCc(c1)ccc(c12)N(C(O)CC2)C3CCN(CC3)CC(O)Nc(c4)ccc(c45)nccc5 -MOL_01_009718,Fc1ccc(cc1)NCc2nnc(n2Cc3ccccc3)CCc4nnc(o4)-c5ccccc5 -MOL_01_009719,C1CCCNC1C(=N)N(CC)CC(O)(C(C)(C)C)CNC(=N)c2cnn(c2N)-c3ccc(C)cc3 -MOL_01_009720,Clc1cccc(Cl)c1CC(=N)Cc2c(C)nc(n23)c(ncc3)N4CCOCC4 -MOL_01_009721,C1CC(N)Nc(c12)ccc(c2)C(C)CNC(C)(C)CCc3ccccc3 -MOL_01_009722,CCc1ccc(cn1)N(C)C(N)c2cnc(cn2)-c3ccc(CN)cc3C -MOL_01_009723,Clc1cncc(Cl)c1NC(=C)c2cnc(CN)nc2-c3ccc(CN)c(c3)CN -MOL_01_009724,c1ccccc1-c2nc(C)c(CN)c(n2)-c3ccccc3CN -MOL_01_009725,CCC1CC(CC)C(=O)N(C1=O)CC(=O)NCCc2ccccc2 -MOL_01_009726,CC(O)c1cccc(c1)CCc(n2C)nc(c23)ccc(n3)Cc4ccc(F)cc4 -MOL_01_009727,CC(=O)c1cc(CN)c(CN)cc1NC(=O)CCCCc2ccc(Cl)cc2Cl -MOL_01_009728,COc1cc(C(C)N)ccc1OCC(O)CC2CCC(CC2)c3ccc(F)cc3 -MOL_01_009729,CC(C)NCC(C)CCc1c(C2CCC2)ccc(c1F)-c3cnc(N)cn3 -MOL_01_009730,CCc(c1)c(CC)cc(c12)ncc(C(N)N)c2Nc3cccc(C)c3 -MOL_01_009731,c1cc(Cl)nc(c12)CCC2NC(=O)Cc3cccc(C(F)(F)F)c3Cl -MOL_01_009732,c1cccc(c12)n(C)c3c2ncnc3CCCN(CN)CN -MOL_01_009733,c1ccccc1CCC(C(=C)N2C)=Nc(c23)cnc(n3)N4CCN(C)CC4 -MOL_01_009734,CCc1ccc(C)cc1N(C(=N2)CCC2(C)C)C(N)c3ccc(CN)cc3 -MOL_01_009735,CCCc1ccc(cc1)Cc2c(CCC3)c3nc(n24)ncn4 -MOL_01_009736,CCC(C)n(c1O)c(O)nc(c12)cc(c2)C -MOL_01_009737,CCCCc1ccc(cc1)C2CCC(N)N2c(c3)ccn(c34)ccn4 -MOL_01_009738,c1cc(NC)ccc1C(C(C2)N)(c(c23)cccc3)c4cc(C(C)(C)C)ccc4NCCN5CCNCC5 -MOL_01_009739,c1cccc(c12)c(O)c(C)c3c2n(C)c(c3)Nc4cccc(c4)C(C)N -MOL_01_009740,CC(C)CC(=O)Nc1cc(ccc1C)Cc(c2)ccc(n23)nc(n3)NC(=O)C4CC4 -MOL_01_009741,c1ccccc1C(C2)=Cc(c23)c(c(CN)c(N)c3CN)-c4ccc(F)cc4 -MOL_01_009742,NCN1C(CC)=C(CC)N(CC(=O)C)c(c12)c(C)nnc2C -MOL_01_009743,Nc1ncc(cc1)CCc2c(ccnc2CC)-c3ccc(c(c3)OC)C(N)N4CCN(C)CC4 -MOL_01_009744,NC(N1)Cc(c12)c3c(cc2)CCC(C3)CNCc4ccccc4 -MOL_01_009745,n1cncc(c12)c(ccc2C(=N)N)C3CCC(CC3)c4ccccc4 -MOL_01_009746,Cc1ccc(cc1)C(CN)c2c(Cl)cnn(c2=N)Cc3cccc(c34)cccc4 -MOL_01_009747,COc(c1)ccc(c12)OCC(C2)C(=N)CCCN3CCN(CC3)c4cccc(C)c4C -MOL_01_009748,CCCc1ccc(cc1)NC(C2O)=C(Cl)C(O)c(c23)ccnc3 -MOL_01_009749,c1cccc(c12)nc(CC)cc2C(=C)N3COC(C(C)C3)N4COC(C)OC4 -MOL_01_009750,CCN1CCC(C1)CN(C)C(N)c2cc(ccc2F)-c3ccnc(C)c3CCc4ccc(N)nc4 -MOL_01_009751,Cc1ccc(C)c(c1)NC(=O)c(c2=O)cnc(n23)C=CC3 -MOL_01_009752,c1cccc(c12)Cc3c(N=C2)c(ncn3)N4CCCCC4 -MOL_01_009753,CC(C)C1CCC(=O)N1c2ccnc(n2)NC(C)C3CCN(C(C)C)CC3 -MOL_01_009754,CC(C)C(=O)c(n1C)cc(c12)ncc(c2)C(=O)CC3CCCC3 -MOL_01_009755,NCc(cc1)nc(c12)n(cc2CC(C)C)CCCC(N)O -MOL_01_009756,Fc1ccc(cc1)C2=C(N)C(N)NC2c3ccc(NCc4ccccc4)c(c3)NCc5ccccc5 -MOL_01_009757,NCCCCc(c1)cc(O)c(c12)c3c(C(O2)(N)N)ccc(c3)NO -MOL_01_009758,CC(C)Cc1cc(ccc1)NC(=C)CCC(N(C2=C)CNN)=Nc(c23)cccc3 -MOL_01_009759,Cc(c1)cc(c12)c3c(n2C)c(N)n(cc3)Cc4ccccc4N -MOL_01_009760,c1ccccc1C(C(N)COC)Cc(c(n2)O)cc(c23)cc(C)cc3 -MOL_01_009761,c1ccccc1-n(cn2)c(=N)c(c23)cc(cc3)-c4ccnc(c45)cccc5 -MOL_01_009762,c1ccccc1C(C)Nc2nccc(n2)N(C(=N)C3)C(C(C)C)C3(C)C -MOL_01_009763,c1cc(Cl)cc(c12)nc(N(C)C)c(=N)n2Cc3ccccc3 -MOL_01_009764,NOc1ccc(ON)c(c1)Cc2cc(-c3ccccn3)nc(n2)-c4ccccn4 -MOL_01_009765,CC(C)CC(=O)c(n1)nn(c12)c3c(nc2C)cccc3 -MOL_01_009766,CCN(C)C(=O)Cc(c1)ccc(c12)C(CN2)CCC(=O)CN -MOL_01_009767,n1ccn(c12)C(C)=NN(C2=C)CCCC(=C)NCCc3ccc(CN)c(c3)CN -MOL_01_009768,C=C1CCc(c12)c(N)c(cc2)C(C)CN(CC3)CCC34CCN(C4=C)C5=CC(=C)N(C)N=C5 -MOL_01_009769,C=C1CCC(=N1)N2N=C(c3ccc(CN)cc3)CC2c4ccc(C)cc4 -MOL_01_009770,NCc1cnc(cn1)-n2cc(cn2)C(O)Nc3ccc(c(F)c3)C4CCCNC4 -MOL_01_009771,NCCCCCc(nc(n1)C)c(c12)n(cc2)Cc3ccccn3 -MOL_01_009772,C1CCC1(C)C(C(=O)N)NC(=O)c2cc(CCC(F)(F)F)c(cn2)C3CC3 -MOL_01_009773,C=C(O)c(n1)cn(c12)CC(CC2)CCc3ccccc3-c4cccnc4 -MOL_01_009774,c1cccn1-c(nc(n2)N)c(c23)ccn3Cc4ccccc4F -MOL_01_009775,c1ccnc(c12)C(N)C(=C(N)C2N)Cc3ccccc3 -MOL_01_009776,Nc1ncc(cc1)CCc2c(ccnc2CC)-c3ccc(c(F)c3)C(=N)N4CCN(CC4)C5CC5 -MOL_01_009777,NCc1ccc(cc1CN)CCNC(=C)c2ncn(c2N)-c3ccccc3CN -MOL_01_009778,NCc1ccc(cc1)-c(c2)cn(c23)ccc(c3C)CC(C)NCc4ccc(F)cc4 -MOL_01_009779,C1CCCC1NC(=N)C(c(c23)cccc3)N(C(=N)CC2)Cc4ccccc4 -MOL_01_009780,c1ccccc1C(C2)C2(C(=N)O)N(CCn3cnnc3)Cc4ccc(cc4)-c5ccc(Cl)cc5 -MOL_01_009781,Fc1ccccc1C(N)Nc2nccc(n2)N3C(=O)CCC3C(N)N -MOL_01_009782,Cn1ccc(cc2C)c1c3c(C(N)CC4N)c4c(c5c23)c6c(n5C)cccc6 -MOL_01_009783,CCc1nc(C)c(nc1C(C)=N)-c2ccc(cc2)C3CCC(CC3)CC(=N)O -MOL_01_009784,CCc1ncnc(c12)n(cn2)CCCNCc3ccccn3 -MOL_01_009785,n1cccc(c12)c(Cl)cc(c2C)C(c3ccc(cc3)[N+]([O-])=C)NC(=O)c4cccnc4 -MOL_01_009786,CNC1CCN(C1)c2ccc(cn2)-c(c3N)ccc(c34)cc(cc4)-c5ccc(OC)cc5C -MOL_01_009787,Cc1ncccc1CCC2(CC(=O)CC2=O)CC(C3=O)Cc(c34)ccc(c4F)ON -MOL_01_009788,C=C(O)c(c1)ccc(CC(C2)(C)C)c1C23CC(CC)=NC3O -MOL_01_009789,C=C(O)c1cc(cc(C=O)c1C)-c2cncc(c23)cccc3 -MOL_01_009790,Clc1cnc(cc1)CCC2(C)CN(C(=O)c3ccc(CN)cc3)CC2c4ccc(Cl)cc4 -MOL_01_009791,CCC(N1)NC(=O)c(c12)cc(c(Cl)c2)CN -MOL_01_009792,NCc1ccc(cc1)C(C=2)=NC(=O)C(C23)=C(N=N3)N -MOL_01_009793,Cc(n1)nc(C)c(c12)ccc(C)c2C(N)Cc3ccc(N(C)C)nc3 -MOL_01_009794,Clc1cnc(nc1N)CC2CCN(CC2)c3cc(ncn3)Cc4ccccc4Cl -MOL_01_009795,C1CC1N2C(=C)C(C)=Nc(c23)cnc(n3)Nc4ccccc4 -MOL_01_009796,CCCCc1cc(-c2ccc(CN)cc2)cc(c1CN)C(=O)NC3CCC(C)CC3 -MOL_01_009797,CC(N)Nc1cccc(c1)-c2cncc(n2)Nc(c3)ccc(c34)CC(F)(F)C(F)(F)C4 -MOL_01_009798,CCc1ncnc(c12)n(cn2)CCCNCC(c3ccccc3)c4ccccc4 -MOL_01_009799,Cc(n1)nc(C)c(c12)N3N(N=N2)CCC3 -MOL_01_009800,Clc1ccc(cc1)C(C2)C(n3cncn3)C(=N)c(c24)cccc4 -MOL_01_009801,CCCC(=O)c1ccc(c(N)c1)N2CCN(CC2)c3cc(C)ccc3C -MOL_01_009802,NCc1ccc(c(c1)CN)CCC(N)CCc(c(Cl)n2)cc(c23)cccc3 -MOL_01_009803,NCc1ccc(cc1CN)CC(=C)NCc(c2)ccc(c23)N(CC3)C(=C)c4ccc(C)cc4 -MOL_01_009804,CC(C)Cc1cc(ncc1C(=O)N)-c2ccnc(c2)CC(=O)C3CC3 -MOL_01_009805,Cc1ccc(C)c(c12)cc(CC)c(n2)CCC(=O)Nc3cnc(O)nc3O -MOL_01_009806,NCCCC(C)N1CCC(CC1)Cc2ccc(cc2)C(=O)NCc3ccccn3 -MOL_01_009807,Cc1cccc(c1)-c2nnc(n23)CCC(=N3)c4ccccc4 -MOL_01_009808,c1ccccc1N(C)Cn2ncc(C(=O)CCN)c2CC(=O)CCc3ccccc3F -MOL_01_009809,c1cccc(c12)nc(C)n(c2=N)CC3CCC(CC3)C(=N)N4CCN(CC4)c5ccccc5 -MOL_01_009810,CCNc1nc(ncc1CN)Nc2cc(F)c(cc2CC)CN3CCCCC3 -MOL_01_009811,c1ccc(c12)n3c(c2)c(O)n(cc3C)CC(O)N4CCC(C)CC4 -MOL_01_009812,C1CCCCN1c2cc(F)c(cc2)-n3cc(cn3)-c4ccncc4CCC5CCNCC5 -MOL_01_009813,Cc1nc(N)nc(c1CN)-c2ccccc2 -MOL_01_009814,NNCC(=C)C(C(=C)N1C)=NC(=C12)C(=C)N(C)C(=C)N2C -MOL_01_009815,C1CCCC1N(CC2=N)C(=N)C(N23)Cc4c(C3)cc(cc4)OCc5cccc(c5)CN -MOL_01_009816,CC(C)C12N3N(C(C)(C=C1)CC2)C(N)=c4c(=C3N)cc5c(c4)cccc5 -MOL_01_009817,CCOC(=O)N(C12)C(CC1)CC(C2)CN3CCC(CC3)NC(=O)Nc(cc4c5)cc5C6(C78C149)C79C168 -MOL_01_009818,Cc1ccccc1-n2nnnc2CC(C)C(=O)NC3CCCc(c34)cccc4 -MOL_01_009819,CCCCn1cc(CN)c(c12)c(C)ncn2 -MOL_01_009820,FC(F)(F)c(cc1)cc(c12)ncc(C(N)CCC)c2Nc3cc(C)ccc3CN -MOL_01_009821,Nc(c1)ccc(c12)CCC(C)N(C2C)C(=O)c3ccc(Cl)cc3 -MOL_01_009822,Nc1ccc(cc1)-c(n2)cn(c23)CC=C3 -MOL_01_009823,Cn1cnc(c12)cc(nc2)CC(=NC3)CC34C5CCN(C4)CC5 -MOL_01_009824,CCc1ccc(Cl)c(c1)C(N)(C(N)C2)c(c23)cccc3C(N)(N)N -MOL_01_009825,COc1ccc(cc1)-c2cc(C(F)(F)F)nc(n2)CCC(N)N(C)Cc3ccccc3 -MOL_01_009826,Cn1ncc(c12)c(nc(n2)C(C)C)CC3CC(O)N(C3)CCCN -MOL_01_009827,CCc1ccc(cc1)-n2ccnc2CC(C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F -MOL_01_009828,NCc1ccc(cc1Cl)CCc2nc(N(C3)CC(C34)C4)ncc2C(=O)NCc5ccccn5 -MOL_01_009829,Nc1ccc(cc1)-c(nc(c23)c3)c2-c4ccncn4 -MOL_01_009830,Cc1cccc(c1)NC(N)c2c(C)nn(c2N)-c3ccccn3 -MOL_01_009831,Cc1ccc(cc1C)CC(=O)N(N)C(c(c23)cccc3)C(C2)N4CCCC4 -MOL_01_009832,c1cncn1-c2cc(C)c(nc2)CC(=O)N3CCN(CC3)CCc(c4C)ccc(c45)C(=O)CC5 -MOL_01_009833,C1CCc(c12)ccc(c2)CCC(=C)NNNCn(c3=C)c(=C)nc(c34)ccc4 -MOL_01_009834,OC1CCCCC1CC(=N)c2cnc(OCC3CC3)c(c2)-c4ccc(CN)cc4 -MOL_01_009835,CCN(CC)C(O)Cn1c(nc(c12)cccc2)CCC(O)Nc3ccc(F)cc3 -MOL_01_009836,C=C(N)c(c1)ccc(c12)C3C(C2N)=Nc4c(CC3)cccc4 -MOL_01_009837,CN(C1)CCC(C1=2)=C3C(C2)=NC(=NC3=O)c4cccc(c4)CN -MOL_01_009838,Cn1c(C)nc(c12)nc3c(c2)cc(cc3)CCCCC(=O)N4CCCCC4 -MOL_01_009839,Clc1ccc(cc1)CN(C)CCCCN(C(N)C2N)c(c23)cccc3 -MOL_01_009840,c1ccccc1C(CN)c2c(CC)c(=N)n(nc2)Cc3cccc(c34)cccc4 -MOL_01_009841,CCc1ncnc(-c2ccc(CN)cc2)c1CCc3ccc(C)nc3 -MOL_01_009842,c1cccc(c12)cc(N)c(c2)C3=NN(C(N)CN4CCCC4)C(C3)c5ccccc5 -MOL_01_009843,CCOc1ccccc1C(C(=N2)CCC2(C)C)C(N)c3ccccc3Cl -MOL_01_009844,c1ccccc1Cn2ncc(c23)c(ncn3)CCc4cccnc4 -MOL_01_009845,CCC(C)NC(O)c(n1)nc(C)c(c12)ccn2Cc3ccccc3Cl -MOL_01_009846,CNc1nc(N)c(c(N)c1NC)C(N)C(c2ccccc2)c3ccccc3 -MOL_01_009847,CCc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)-c4ccncc4 -MOL_01_009848,NCc1cnc(nc1NC)Nc2cc(F)c(C(=O)N(C)C)cc2CN -MOL_01_009849,NCc(c1)ccc(c12)CCC(C)N(C2C)C(=O)c3ccc(Cl)cc3 -MOL_01_009850,c1ccccc1CC(CN)N(CO2)C(=N)c(c23)cc4c(c3)C(=N)N5C(O4)CCC5 -MOL_01_009851,n1cccc(c12)nc(n2CC)CCc3ccc(cc3)CC4CC(=O)NC4=O -MOL_01_009852,OCC(C1)Cc(c12)cc3c(c2)N(O)C(=NN3O)CCCN4CCOCC4 -MOL_01_009853,C1CCc(c12)ccc(c2)CNC3CC(=O)N(C3=O)CCc4ccccc4 -MOL_01_009854,C=C(C)Nc1ccc(cc1)C(C)Nc2ncnc(CC)c2C -MOL_01_009855,c1cccnc1N2CCN(CC2)C(=N)c(c3)ccc(c34)C(=N)N(C4=N)c5ccc(Cl)cc5 -MOL_01_009856,Nc1cc(N)nc(c12)ccc(c2)C(=N)NC3CN(C3)c4ccc(Cl)cn4 -MOL_01_009857,C1CCCC1CC2=C(N3CCC(CC3)CC(N)N)C=NN(C2=C)c4cccc(C)c4 -MOL_01_009858,Cc1ccccc1CN(C(=O)CC2)C2(N)C(=O)NC3CCCC3 -MOL_01_009859,CCc1cccc(c1CC)C(O)N(C2)CCc(c23)c(O)nc(n3)N -MOL_01_009860,Nc1ccc(cc1)-c(c2C)c(C)nc(c23)cc(cn3)N -MOL_01_009861,CCOC(=O)C1C(C)=NC(=O)N=C1c2cc(C)ccc2O -MOL_01_009862,Fc1ccc(cc1F)Cc(n2)nc(c(c23)cnn3C)CCC4CCCC4 -MOL_01_009863,c1ccccc1CC(=N)N(CCN)Cc(c2=N)coc(c23)cccc3OCC4CCCCC4 -MOL_01_009864,CCc1cccc(c1)CN(CC2)c(cccc3)c3CC24CCN(CC4)C(=O)CCC(=O)C -MOL_01_009865,C1CCCCC12NC(N)C3=C(CCCC3)N2C(N)c4ccccc4 -MOL_01_009866,CC(C)c1ccc(cc1)NC(=O)CCNCc(c2)ccc(c23)NC(=O)CCC3 -MOL_01_009867,c1cccc(c12)C(=C)C(=C(N2C)NC(=C)CN)c3ccc(N)cc3 -MOL_01_009868,CC(C)Nc1cc(ncn1)-c2c(N)cn(c23)cccn3 -MOL_01_009869,C1COCCC1c(nc2N)cc(c23)c(-c4ccc(Cl)cc4)c(cc3)OCc5cccnc5 -MOL_01_009870,CCOC(=O)C1C(C)=NC(=O)N=C1c2ccc(c(c2)OC)OC(C)C(=O)O -MOL_01_009871,CC(C)(C)NC(O)c1c(C(C)O)c(C)n(n1)-c2ccc(F)cc2 -MOL_01_009872,Oc1nc(O)nc(c12)nc(O)c(CN)c2-c3ccc(Cl)c(Cl)c3 -MOL_01_009873,NCc1ncnc(-c2ccc(N)nc2)c1CCc3ccc(N)nc3 -MOL_01_009874,CCc1ccc(cc1)NC(=O)CCCc(c(C)c2)cc(c23)CCC(=O)N3 -MOL_01_009875,CCc(c1)ccc(c12)C(=NCC2)c(n3)cc(N)c(c34)cccc4 -MOL_01_009876,NCn1cc(N)c(c12)ccn(c2=O)CC(=O)Cc3ccccc3 -MOL_01_009877,Fc1ccc(cc1)CN(C(=N)c(c23)cccc3)C2c4nccn4Cc5ccccc5 -MOL_01_009878,C=C(C)c1cccc(c1)C(=O)Cc(n2CCC(=O)C)nc(c23)cccc3 -MOL_01_009879,C=C(C)CNC(=C)c(c1C)nc(CN)c(c12)C=CN(C2=C)Cc3ccccc3 -MOL_01_009880,CC(C)N1CCN(CC1)C(C2N)=C(C(N)c(c23)cccc3)Nc4cccc(Cl)c4 -MOL_01_009881,Nc1cc(ccc1)C2(N)C(CN(C)C)CCc(c23)cc(cc3)-c4ccc(C(F)(F)F)cc4 -MOL_01_009882,C1CCc(c12)n3c(nc2CN)nc(c3)C(O)c4ccccc4 -MOL_01_009883,NC1CCC(CC1)Nc(c2CN)cc(n(c23)ccc3)Nc4ccccc4Cl -MOL_01_009884,c1cccc(c12)ccc(c2)-c3c(C(C)O)c(C)n(n3)CCN4CCCCC4 -MOL_01_009885,CCn1c(C)nc(c12)cc(cn2)C(N)CCc3ccccc3Cl -MOL_01_009886,CCCC1CCc2cc(C)cc(c2C13)c4c(C3)ccc(N)c4N -MOL_01_009887,C1CCCC1Cc2cc(ccc2CN)C3CC(O)N(C3)c4ccccn4 -MOL_01_009888,c1cccc(c12)CNC(=N)N2C3CCN(CC3)C(C4)CCc(c45)cccc5 -MOL_01_009889,Cc1nc(N)ccc1CCc2c(ccnc2CC)-c3ccc(c(C)c3)C(=N)N4CCN(C)CC4 -MOL_01_009890,c1cccc(c12)n3c(cc2N)nnc3CCC(N)C4CCCCC4 -MOL_01_009891,C1CCCC1N(CN)C(O)CCC(O)c2cn(-c3ccccc3)nc2-c4ccccc4 -MOL_01_009892,Nc1cccc(c1)CCc(n2)ccc(c23)C(=O)N(CC3)C(N)N -MOL_01_009893,Cc(c1)cc(CN)c(c12)C(C)C(=O)c3c(C2)nccc3 -MOL_01_009894,Cc1ccc(NCC(N)N)c(c1)C2CCCCC2 -MOL_01_009895,c1cnccc1-c2nnc(n2CCCC)CCc(n3)nc(C)c(c34)cccc4 -MOL_01_009896,CCCCCCc(c(C)c1CC(=O)C)nc(c12)ccc(c2)N -MOL_01_009897,CC(=O)c1cc(NC(C)C(=O)C)nc(n1)-c2ccnc(c2)Cc3ccc(F)cc3 -MOL_01_009898,Cc1ccc(cc1)CN2C=CNC(=O)C2CC(=O)NC3CCNc(c34)cccc4 -MOL_01_009899,Cc(n1)ccc(c12)C(CC2)NC(O)Cc3c(C)cc(Cl)cc3Cl -MOL_01_009900,Nc1cccc(c1)-c2ccc(cc2)Cn3ccc(c34)C(N)CCNC4N -MOL_01_009901,C=C(C)c(c1)ccc(c12)OCC(C2)C(=C)C(C)Oc3c(N)cc(C)cc3N -MOL_01_009902,C=CC(O)c1ccc(cc1)-c2ccnc(n2)Cc3ccc(cc3)C4CCOCC4 -MOL_01_009903,C1C=CCCN1C(=O)c2c(N)n(cn2)-c(c3)ccc(c34)nccc4 -MOL_01_009904,c1ccc(CN)c(c12)c(nn2C)NC(=O)Nc3ccccc3CN -MOL_01_009905,c1ccccc1C(CN)c2nc(nc(O)c2C)CCC(O)c3ccccc3 -MOL_01_009906,C=C(O)c1ccc(CCCC)c(c12)c(O)c3c(n2)cccc3 -MOL_01_009907,O1COc(c12)ccc(c2)CC3C(=O)N=C(C)N(C3=O)c4ccc(C)cc4 -MOL_01_009908,Cc1cccc(c1)CCNC(=O)CCc2cc(=O)n(C)c(c23)cccc3 -MOL_01_009909,CN(C)C(N)c1cc(ccc1)-c2ncnc(C)c2CCc3ccc(N)nc3 -MOL_01_009910,Cn1nc(cc1)N(CC)C(=N)CN(c2cc(N(C)C)ccc2Cl)Cc3ccc(OC)c(c3)OC -MOL_01_009911,Cn1ncc(c12)cc(cc2)CCC(N)Nc3ccc(cn3)-c4cnccn4 -MOL_01_009912,Cn1nccc1NCc2ccc(c(c2)CN)Cc3ccc(Cl)cc3-c4ccnn4C -MOL_01_009913,CCn1cc(cn1)NC(=C)Cn2cc(cn2)Cc3ncnc(c34)cc(CC)c(c4)CC -MOL_01_009914,C1CCCC1Oc2cc(ccc2OC)C(C3N)(C(N)c(c34)cccc4)Cc5c(Cl)cncc5Cl -MOL_01_009915,c1cccc(c12)c(cc(=O)n2C)CCCCC(=O)NCc3ccccn3 -MOL_01_009916,CC1=NCC(C)c(c12)nc(CN)c(n2)-c3ccccc3 -MOL_01_009917,CCCCc(c1)ccc(c12)c(CN)cn2-c3ccc(C(C)O)c(C)c3 -MOL_01_009918,C1CCCc(c12)ccc(c2)CC(=C)CN(CN)C(=C)CN(C(=C)C3)C(=C)C3(N)c4ccc(N)cc4 -MOL_01_009919,C=C1C(N)=CC=CN1C(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_009920,CNC(=O)C(C(C)(C)C)NC(=O)c1ccc(C2CC2)c(n1)CCC3CCCCC3 -MOL_01_009921,CNc1ccc(nn1)-c(c(n2)N)cc(c23)cc(C)cc3 -MOL_01_009922,Cc1ccc(cc1)C(=O)C(c2ccccc2)CC(=O)CN(C3=O)C(=O)c(c34)cccc4 -MOL_01_009923,FC(F)(F)c1cnc(nc1CC)Cc(c2ON)ccc(c23)C(N)N(C3)CC -MOL_01_009924,CC(C)(C1)C=Cc(c12)c3c(cc2)C(=N)C4C(C3)CCc5c4cc(CN)c(c5)CN -MOL_01_009925,Fc1ccc(nc1C)CNC2=CC(=NN(C)C2=C)CCC3CC3c4ccc(cn4)CN -MOL_01_009926,c1ccccc1C2(CCCC)CCN(C(=O)C2)C(C)c3ccc(cc3)-c4ccc(CN)nc4 -MOL_01_009927,c1ccccc1Cn2ccnc2C(c3ccc(cc3)-n4cncn4)N5CCCN(CC5)C6CCC6 -MOL_01_009928,c1cccc(c12)c(cc(=O)n2C)CCC(=O)N3CCN(CC3)Cc(c4)ccc(c45)CCC5 -MOL_01_009929,Cc1ccc(cc1)CC(N)c2c(C)c(CN)c(n23)CCC3 -MOL_01_009930,c1ccn(c12)c(O)cc(n2)CN(CC)Cc(n3)nc(C)c(c34)cc(CN)c(c4)CN -MOL_01_009931,CN(C)Cc1ccc(cc1)CN(C(=C)C(C23)CC=CC3)N=C2c4ccc(CN)c(c4)CN -MOL_01_009932,Cc1nn(C)c(c12)c(nc(n2)C)CCc3cccnc3 -MOL_01_009933,CCc1ccc(cc1CC)CC(=O)CCC(=O)Cn2c(C)nc(c23)cccc3 -MOL_01_009934,COc1ccc(OC)c(c1)Cc2cc(nc(n2)C)C3CCC(CC3)C(N)c(c4)ccc(c45)OCO5 -MOL_01_009935,Cn1cnc(c1)CNc2cc(nn(C)c2=O)CCC3CC3c4ccc(cn4)CN -MOL_01_009936,NCC(C(=O)N=1)=C(CN)C(C12)=C(C=C2)c3ccccc3 -MOL_01_009937,CC(C)(C)NC(=O)CN(CC)C(=O)CCc1c(Cl)cc(Cl)c(c12)ccc(n2)C -MOL_01_009938,Cc(c1)ccc(c12)cc(O)c(c2)C(O)Cc3c(C(C)O)cnn3-c4ccccc4 -MOL_01_009939,NNCn1cnc(c12)cc3c(c2)C4CCCC3N4 -MOL_01_009940,C=C(O)c1ccccc1CC(O)C2CCC(CC2)c3ncnc(c34)cc(CN)c(c4)CN -MOL_01_009941,Cc1ccc(cc1)NC(=O)CC(=O)Nc2ccc(c(C)c2)Cc3ncnn(c34)ccc4C -MOL_01_009942,C=C(O)c(n1)cn(c12)CC(CC2)CCc3ccc(cn3)-c4ccc(C(F)(F)F)cc4 -MOL_01_009943,Cn1cnc(c12)cnc(c2)NC(=NC3)CC34C5CCN(C4)CC5 -MOL_01_009944,CC(=O)CCc1nnc(n1-c2ccc(CN)cc2)CCc3cccc(c34)cccn4 -MOL_01_009945,NC(=N1)CCCC1(C(Cl)Cl)c2cc(ccc2Cl)Nc3ncccn3 -MOL_01_009946,CNC(=O)c1ccc(cc1)C(=O)NC(c2cn(cn2)C3(CN)CC3)C4CCCCC4 -MOL_01_009947,NCc1ccc(nc1C)CC(C2(C)C)C(C)(C)C2NC(=O)c3cnc(n34)nccc4 -MOL_01_009948,c1ccccc1-c(c2N)c(C)nc(c23)c(N)c(N)cc3 -MOL_01_009949,C1CCC1COc2cc(ccc2C)-c(c(c3)C(N)N)cc(c34)c(O)nc(n4)N -MOL_01_009950,CCc1ccc(cc1)C(=O)NCc2cn(cn2)-c3cc(C)nc(c34)ccc(c4)CN -MOL_01_009951,CCCCCn1ccc(c12)c(C)c(cn2)C(N)N3CCCC3 -MOL_01_009952,NCc1ccc(cc1)C2(C)CC(=C)C(c3cc(CN)c(CN)c(c3)CN)=C2Cc4ccccc4 -MOL_01_009953,Nc1cccc(c1)CCc(n2)nc(N)c(c23)CCCC3 -MOL_01_009954,NOc(c1)ccc(c12)C(N)(N)C(=O)N(C2=O)Cc3ccccc3 -MOL_01_009955,CCc1ccc(cn1)NC(N)C(C2)Cc(c23)nccc3-c4ccc(Cl)cc4 -MOL_01_009956,CCc(c1)ccc(c12)nc(C)cc2-n3cnc(c3)CNC(C)CC -MOL_01_009957,c1cccc(c12)CCC(CO2)NCC(C)CCc3ccccc3ON -MOL_01_009958,c1cc(Cl)cc(c12)C(C(C)C(C)(C)C2=N)n3ccccc3=N -MOL_01_009959,c1ccccc1CCc2nc(N)c(CC)c(n2)C(N)c3cccc(c34)cccc4 -MOL_01_009960,Cn1cc(cn1)-c2cnc(C)c(c2)C(N)CCc3c(F)ccc(Cl)c3F -MOL_01_009961,c1cccc(c12)nc(N)cc2N(C)c3ccc(CN)c(c3)NC(=O)CCN -MOL_01_009962,CCCc1ncccc1CNCc(c2)ccc(c23)NC(=O)CCC3 -MOL_01_009963,CC(O)CCn1c(O)cc(c12)cc(c(Cl)c2)CC(C)c3ccc(F)cn3 -MOL_01_009964,Nc1ccccc1N(C2=C)C(=C)C3C(=C)N(C(=C)N(C3N24)CC4)c5ccccc5N -MOL_01_009965,Cc(c1)ccc(c12)CC(N2)(C)CCc3ncc(C)c(ON)c3C -MOL_01_009966,Fc1ccc(cc1)-c2c(-c3ccncc3)n(cc2N)COCc4ccccc4 -MOL_01_009967,c1ccccc1-c(nc2C)nc(c23)nc4c(c3)cc(CN)c(c4)CN -MOL_01_009968,c1ncnc(c12)C(O)C(C3CC3)=C(C2O)C4CC4 -MOL_01_009969,Clc1ccc(n12)c(ncn2)CC(=NC3)CC34C5CCC(C4)CC5 -MOL_01_009970,CCC(N)CC1CCCc(c12)c(cnc2)-c3ccc(N)c(N)c3 -MOL_01_009971,NCc1ccc(cc1)NC(=C)CN2C(=C)CCc(c23)ccc(Cl)c3 -MOL_01_009972,NOc1ccc(cc1)-c2c(CN)c(OCC)nc(n2)CCc3ccccc3 -MOL_01_009973,C=C1CCC(C(N)N)N1c2ccnc(n2)NC(N)c3ccc(cc3)CC4CCCCC4 -MOL_01_009974,NCC(=N)N1CCCC(C1)Cn2cnc(c2)-c3ccc(F)cc3 -MOL_01_009975,c1cccc(c12)ncc(=O)n2CC(=O)Cc3cc(Cl)ccc3N4CCOCC4 -MOL_01_009976,c1cccc(c12)cc(N)c3c2OC(N)CC3c4ccc(C(F)(F)F)cc4 -MOL_01_009977,c1cccc(c12)ccc(c2)CN3C(C)CC(N)c(c34)c(ccc4)N5CCNCC5 -MOL_01_009978,Cc1c(CN)cccc1NC(C)c2cc(C(N)N(C)C)cc(c23)c(N)cc(c3)N4CCOCC4 -MOL_01_009979,NCCC(N(C1)C(C)C)CC12CCN(CC2)c3cc(CN)ncn3 -MOL_01_009980,CCCc1cc(N)c(Cl)cc1C(=O)NCC2CCCN(C2)Cc3ccccc3CN -MOL_01_009981,NCCCC(=O)CC(C(=C(C)C1)C(=O)CCCN)c(c12)cc(cc2)-c3cc(C)nc(C)c3 -MOL_01_009982,NNc1cc(NN)c2ccc(c(c2c13)C(N)C(C3)N)-c4ccccc4 -MOL_01_009983,NC(N)(N)c1ccc(cc1)C2(N)c(cccc3)c3C(C24)=NCC4 -MOL_01_009984,Cn1cc(cn1)C2(C)CCCN(C2)c3ncccc3CN -MOL_01_009985,n1nc(C)cc(c12)C(=N)c3c2cc(cc3)CCc4ccccc4 -MOL_01_009986,C1CCCc(c12)c(nnc2N)Cc3ccc(F)c(c3)CC(N)CCC(N)c4ccccc4 -MOL_01_009987,Cc1ncnc(c12)n(nc2)Cc3ccccc3N -MOL_01_009988,C1CCC12c3c(N=C2N)cc(c(c3)CN)CCCCn4ccnc4 -MOL_01_009989,Cn1cc(cn1)-c(c2)ccc(c23)ncnc3Cc(c4)ccc(c45)nccc5 -MOL_01_009990,NOc1cccc(c12)c3c(c(n2)N)ccn3-c4ccccc4N -MOL_01_009991,COc1cc(F)ccc1Oc(nc(c23)cccc3)c(n2)C(=O)Cc4cccc(c4)CN -MOL_01_009992,C=C1CCC(C(C)C)N1c2ccnc(n2)NC(C)c3ccccc3 -MOL_01_009993,c1ccccc1-c2nn(C)c(c2)C(N)Cc3ccc(cc3F)C4CCCCO4 -MOL_01_009994,CCCCCC(O)C(CN)c(nc(c12)cccc2)c(n1)N3CCCCC3 -MOL_01_009995,Cn1cc(N)c(c12)nc(N)nc2CC3CCCC3 -MOL_01_009996,Cn1c(C)nc(c12)nc3c(c2)cc(cc3)CCCCC(=O)CN -MOL_01_009997,CNCCN1CCC(C1)Nc2ccc(cc2)C3=C(C4=NCN(C)CC4)CCCc(c35)cc(N)cc5 -MOL_01_009998,Nc1nc(C(=C)C)cc(c12)c3c(n2C)nccc3 -MOL_01_009999,Cc1ccc(c(C)c1)CN2CC(n3ccnc3)CC2C(=N)NCCc4cccc(Cl)c4 -MOL_01_010000,c1ccccc1C(C2)Cc(c23)c(c(CN)c(N)c3CN)-c4ccc(F)cc4 -MOL_01_010001,CN1CCCC1Cc(c2N)cc(c(c23)cccn3)Cc4ccc(Cl)cc4 -MOL_01_010002,CCn1ccc(n1)NC(=O)Cc2ccc(cc2)Cc3ncnc(c34)cc(CN)c(c4)CN -MOL_01_010003,OC(C1)C(C)(C)Oc(c12)cc3c(c2O)c(N)c(O)c(c3)-c4ccccc4 -MOL_01_010004,c1ccc(c2c13)CCN(C2CNC3=N)C(=N)CCc4cnccn4 -MOL_01_010005,CCc1ccc(cc1CC)CCNC(=C)c2cnc(CN)nc2N3CCN(CC3)CCC -MOL_01_010006,c1ccccc1C2C(C(=O)CCC)CC(=O)Nc(c23)ccc(Cl)c3 -MOL_01_010007,NCc(c1)c(CN)cc(c12)CCN(C(=C)c(cc3C)ccc3)C2CCc4ccc(NC)cc4 -MOL_01_010008,Cc1cc(C)cc(c1)NC(=O)CN2C(=O)CCC2c3ccccc3 -MOL_01_010009,Nc1ccc(cc1)-c2nn(-c3ccccc3)cc2C4=NCC=C4 -MOL_01_010010,NCc1cc(ncn1)N(C2)CC(CCC3)C23CCCc4ccccn4 -MOL_01_010011,OCc(n1)ccc(c12)CCCN2C(O)Cc3ccccn3 -MOL_01_010012,c1cccc(c12)C(=N)N(C(Cl)=NO2)CCCCN3CC=C(CC3)c4ccccn4 -MOL_01_010013,Clc1ccc(Cl)cc1CC(N)C2CCN(CC2)c3cccnc3 -MOL_01_010014,Cc1cccc(n1)CC(N)Cn2c(N)cc(c23)cc(cc3)C(N)c4ccccc4F -MOL_01_010015,Cc1ccc(cc1)C2=NN(C3=NC(N)CC3)C(C2)c4ccc(C)cc4 -MOL_01_010016,Nc(n1)cc(N)c(c12)cc(cc2)C(N)NC3CN(C3)c4cc(Cl)ncc4Cl -MOL_01_010017,Cc1cccc(c1)Nc2cc(CN(CCCl)CCCl)nc(n23)c(cc3)CN -MOL_01_010018,COc(c1)ccc(c12)nc(C)cc2-n3cnc(c3)CN4CCN(C(C)C)CC4 -MOL_01_010019,NCc(c1)ccc(c12)nccc2C(N(C)C)c3nccn3C(C)(C)C -MOL_01_010020,Cc1c(Cl)ccc(c12)cc3c(n2)CC(=NN=C3)Nc4ccccc4 -MOL_01_010021,CCc1ccc(C(C)O)c(c12)nc3c(c2O)cccc3 -MOL_01_010022,c1ccccc1C(=C(CN)C2O)C(O)C(=C23)CCc4c3cccc4 -MOL_01_010023,Cc(c1)ccc(c12)N=C(O)C(C)OC2(C(C)(C)C)CCC3CC3 -MOL_01_010024,C1CCCCCC1NC(=N)C(c(c23)cccc3)N(C2=N)CCCN4CCOCC4 -MOL_01_010025,CN1CCN(CC1)C2Nc(cccc3)c3Nc(c24)n(C)nc4 -MOL_01_010026,C=C(O)c1ccc(Cl)c(c1)C(N)Oc2ccc(cc2)-c(n3)cnc(c34)cccc4 -MOL_01_010027,CNC(C)(C)C(O)N1CCN(CC1)C(O)c2cc(ccc2F)Cc3nnc(O)c(C)c3C -MOL_01_010028,c1ccccc1C(N)c2c(-c3ccccc3)nnc(c24)c5c(C4N)cccc5 -MOL_01_010029,CCOc1ccc(cc1)CN2CCC(CC2)n3nccc3CC(=O)c4ccccc4OC -MOL_01_010030,c1ccccc1C(=N)C(n2ccccc2=N)C(=N)N(C3)CCc(c34)cccc4 -MOL_01_010031,CC(=O)CCCn1cnc(c1)-c2cccc(c2)NC(=O)c3cn(cn3)Cc4ccccc4 -MOL_01_010032,Cc(c1)cc(CN)c(n12)ncc2CCCCc3ccccc3 -MOL_01_010033,Cc1ccc(cc1)-c2nnc(n2CN)CCC(=O)N3CCCC3 -MOL_01_010034,c1cc(N)cc(c12)C(=NC(C2=O)(C)C)N3CCCC3=O -MOL_01_010035,NOc1ccc(Cl)cc1C(C)(C)CC(N)(Cc2ccccc2)CNc(c3)ccc(c34)C(=N)OC4 -MOL_01_010036,CC(=O)N(C)c(c1)ccc(c12)c3c(C2(C)C(N)(N)N)cccc3 -MOL_01_010037,CN1CNC(N)c(c12)nc(Cl)c(n2)-c3ccccc3 -MOL_01_010038,c1ccccc1C2=CC=C(C2=3)N=NC3N4CCCC(C4)COCCN5CCCC5 -MOL_01_010039,CNCN(CNC)C(C1C)NNc(c12)cccc2C(=N)NC(C)C -MOL_01_010040,n1ccc(N)c(c12)cc(cc2C(=C)O)Nc3cnc(C)nc3C -MOL_01_010041,CC(=O)c1ccc(cc1)CC(=O)C(C=2)=CC(C23)=c4c(=CC3=O)ccc(c4)C -MOL_01_010042,C=C(O)c(c1)ccc(c12)nc(C)c3n2cc(n3)C(=O)CCC -MOL_01_010043,CCc1cc(C)c(F)cc1C(=O)CCC(=O)C2CNc(c23)cccc3 -MOL_01_010044,NCc1cc(ccn1)-c2ncnc(CN)c2CCc3ccc(N)nc3 -MOL_01_010045,c1nn(C)c(c12)nc(nc2C)CN(C)Cc(c3)ccc(c34)CCCC4 -MOL_01_010046,c1ccccc1C(C)CC(N)CCc(n2)nc(N)c(c23)ccc(Cl)c3 -MOL_01_010047,c1ccnn1-c2ccc(C)cc2C(=C)N3CCCC3Cc4ccc(CN)c(c4)CN -MOL_01_010048,NCc(c1)c(CN)cc(c12)nc(nc2CC3CC3)N4CCCCC4 -MOL_01_010049,Fc1ccc(cc1F)Cc(nc2)cn(c23)c(nn3)-c4ccc(CC(F)F)cc4 -MOL_01_010050,C1CCCc(c12)c3c(cc2CC)ncnc3Cc4cccc(c4)CN -MOL_01_010051,COc(c1)cc(OC)c(c12)c(N)cc(n2)C(N)Cc3cccc(c3)C4CCCC4 -MOL_01_010052,CCCN(C(O)C1O)c(c12)ccc(Cl)c2 -MOL_01_010053,NOc(c1)c(ON)cc(c12)ncnc2Cc3ccc(cc3)-c4ccccn4 -MOL_01_010054,c1ccc(N)c(n12)nn(c2=N)CCc(n3)ccc(c34)cccc4 -MOL_01_010055,NC=1C=CC(C12)=C(C(=O)C)C=C(C2=O)c3cccc(Cl)c3 -MOL_01_010056,c1cncn1-c(c2)c(C(=C)N)cc(c23)nc(C)c(n3)C -MOL_01_010057,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(c3F)NC4CCCC4 -MOL_01_010058,CCOc1ccccc1Cc2c(C(N)OCC)cnc(c23)c4c(cc3)cccc4 -MOL_01_010059,Cc1cc(C)ccc1C(=C)N(Cc2cccnc2)c3ccc(cc3)-c4cc(CN)c(cn4)CN -MOL_01_010060,C1CC1C(C)(N)CNC(=C)c2cnc(CCC3CC3)c(c2)-c4ccc(C)cc4 -MOL_01_010061,Cc1ccnc(c12)C(O)c3c(C2O)ccn3C -MOL_01_010062,CC(C)CNCNC(C(=O)CN)Cc1ccccc1 -MOL_01_010063,C1CCc(c12)cc3c(c2)cc(CC)c(n3)CCC(F)Nc4cnc(C)nc4C -MOL_01_010064,Cc(n1)ccc(c12)c(O)c(cn2)C(=O)CC(CC34)CC(CC3)N4C -MOL_01_010065,NCc1ccc(cc1)-c2ccc(cc2)C(=O)N3C(C(=O)O)C=CC3c4ccccc4Cl -MOL_01_010066,Cc(n1)nc(O)c(c12)C(CC(C2)C3CC3)CCc4cccc(F)c4 -MOL_01_010067,C1=NCC(N)=NC1(C)c2cc(ccc2F)NC(O)c3ccc(F)cn3 -MOL_01_010068,Clc1cc(ccc1)N(C(=O)C(=C)C2(C)C)C2C(=C)C(=O)Nc3ccccc3 -MOL_01_010069,Cc1nccc(c12)c(ncn2)NC3CCNCN3 -MOL_01_010070,C1CCC(N)=NC1(C)c2cc(ccc2N)Nc3ncccc3Cl -MOL_01_010071,Cc1cc(C)nc(n1)CCC(O)Nc2ccnc(c23)cccc3 -MOL_01_010072,C1CC(N)N(C12C)c3c(C2)ccnc3 -MOL_01_010073,n1cccc(c12)nc(n2CN)CCc3ccc(cc3)CC4CC(=O)CC4=O -MOL_01_010074,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccc(cn3)CCC(F)F -MOL_01_010075,Cc1nccn1-c2cc(CN)cc(c2)Nc3ncc(F)c(n3)NCC4CCN(C)CC4 -MOL_01_010076,Cc1ccccc1CCc(n2)ccc(c23)C(=O)N(CC3)C(N)N -MOL_01_010077,NCc1ccc(cc1)C(=N)c(nc(c23)cccc3)c(c2)-c4ccc(CN)cc4 -MOL_01_010078,CCCC(O)Cn1cnc(c1)-c2ccc(cc2)NC(O)c3cn(cn3)Cc4ccccc4 -MOL_01_010079,CCc1ncnc(c12)c3c(n2C)ccc(c3)CN -MOL_01_010080,Cc1ccc(cc1)-n2c(N)c(N)c(c23)c(N)ncn3 -MOL_01_010081,CCN(C1=O)CC(N12)CN(CC2)C(=O)CC(N)Cc3cc(Cl)c(Cl)cc3Cl -MOL_01_010082,Cc(n1)nc(C)c(c12)c(N)c(c(n2)Cl)Cc3ccc(CN)cc3 -MOL_01_010083,CC(C)C(CO)NCc1nc(ccc1Cl)-c2cccc(c2)C(=N)N3CCCCC3 -MOL_01_010084,CC(=N)Cc1cnc(c(c12)cccc2)C(=N)c3ccc(cc3)NC(=N)C4CCCCC4 -MOL_01_010085,c1cccc(c12)N(C(C)(C)C=C2C)C(=N)CN3C(=N)CCC3=N -MOL_01_010086,c1ccccc1N(C)CCCn2cnc(c2)CNc3ccnc(c34)cc(Cl)cc4 -MOL_01_010087,Cc1c(F)ccc(c1Cl)C(N)Cc2ccc(-c3ccc(C(N)O)cc3)cc2N4CCN(C)CC4 -MOL_01_010088,C1CCCCC(C1=2)=C3C(C2)=NC(=NC3=O)c4ccc(O)cc4O -MOL_01_010089,Cc1ccc(nc1)NC(=O)C(C)Cc(n2)nc(n23)nc(C)cc3C -MOL_01_010090,Fc1ccc(cc1)-c2cc(C=C)c([n+]([O-])c2)C(=O)CCCC -MOL_01_010091,c1ccccc1-c(c(c23)cc(CN)cc2)c(CN)nc3C(=C)NCCC -MOL_01_010092,CCC(CC)n1c(CON)cc(c12)c3c(cc2)nc(C)nc3C -MOL_01_010093,CC1CCCN(C1)C2=C(N)C(N)=C2CCc3ccc(cc3)C(N)N4CC=C(CC4)c5ccccc5 -MOL_01_010094,CCCC(O)Nc(c1)ccc(c12)cc3c(n2)c4c(cc3)NC(O)CC4 -MOL_01_010095,Cc1ncnc(c1Cl)N(CC2)CCC2(C)C(O)CC(CCO)c3ccc(CN)cc3 -MOL_01_010096,c1cccc(c12)CC(C)N2C(N)CNc3cccc(c3)CN4CCCC4 -MOL_01_010097,CC1CCc(c12)c(cnc2)-c3ccc(C(N)(N)N)cc3N -MOL_01_010098,Cc1cccc(c1)C(O)Nc2ccc(C)c(c2)-c3cc(C(C)O)ccn3 -MOL_01_010099,c1ccccc1-c2c(C)cn(c23)c(C)cc(n3)CCN -MOL_01_010100,CC(C)CC(C(=C)N)NC(=C)c1ccc(N(C2)CC2(F)F)c(n1)CCC3CC3 -MOL_01_010101,C1CCCCCC12N=C(c3ccc(cc3)OC)C(N)N2CC(N)Nc4cccc(F)c4 -MOL_01_010102,C1CCCC1c2c(CC(C)C)c(F)c(cc2)-c3cnc(N)cn3 -MOL_01_010103,NCc1ccc(cc1)CC(C2N)=C(Cl)C(N)c(c23)cccn3 -MOL_01_010104,NCOc1ccc(OCN)c(c1)CC(N)C2CCC(CC2)c3ncccn3 -MOL_01_010105,CC1(C)CC(CO)N(C1)C(N)c(n2)ccc(c23)cc(cc3)Oc4ccc(cn4)C(C)(C)C -MOL_01_010106,CC(C)(C)CC(O)N(CC1)CCC1(CCN)n2cc(C(C)O)c(n2)Nc3ccccn3 -MOL_01_010107,O=C1C=NC(=N1)c2ccn(c(=O)c2)CC3CNCCCC3c4ccc(Cl)c(F)c4 -MOL_01_010108,c1ccncc1C(CCC)Cc2cncc(n2)-c3ccc(CO)c(c3)ON -MOL_01_010109,CCC1=CCC2=C(C)C(N)C(N)c(c2c13)c(C)cc3 -MOL_01_010110,COc(cc1)cc(c12)cc(n2CCOC)NC(=O)CCCC(=O)Nc3cc(C)on3 -MOL_01_010111,Cc1cnccc1-c2cnc(C)c(c2)-c3ccc(c(F)c3)C(=N)NC(CO)c4ccccc4 -MOL_01_010112,CCCCc1cc(ncn1)N2CC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_010113,c1cccc(c12)OCC2C(=N)CC(C)CC(=N)Cc3cccc(F)c3 -MOL_01_010114,CC(=N)C(CC1)CCC12c3c(ccc(F)c3)C(C2=N)c4cccnc4 -MOL_01_010115,Cc1cccc(n1)CC(N)c2nc(C)n(c2C)-c3ccc(Cl)cc3 -MOL_01_010116,C1CCCCC1(NC(N)O)c2nccn2CCCC(O)Nc3ccc(Cl)cc3 -MOL_01_010117,CC(Cl)(Cl)CCCCN1C(=N)C(Oc(c12)cccc2)CCOc3ccccc3CC(=N)O -MOL_01_010118,CCCNCCNc1ccc(c2c13)n(CCNCCN(C)C)nc2c4c(c3=C)c(C)ccc4C -MOL_01_010119,COc1ccccc1NC2CN(C2)C(O)c3ccc(c(F)c3)NCc4cccc(c45)cccn5 -MOL_01_010120,c1ccccc1-c2nc(C)c(CN)c(c2)-c3ccc(N(C)C)cc3 -MOL_01_010121,CC1(C)CC(N)=NC(C)(C1)c2cc(ccn2)NC(N)c3ncccc3F -MOL_01_010122,CC1CCC(CC1)c2nc(C)nc(c2)-c3ccccc3CN -MOL_01_010123,CC(N)CC1CCC(CC1)C(N)c(n2C)c(Cl)c(c23)cccc3 -MOL_01_010124,n1cccc(c12)n3c(c(n2)N)cc(c3C)-c4ccc(F)cc4 -MOL_01_010125,C=C(C)c(n1)cn(c12)CCC(C2)CCc3ccc(cn3)-c4ccc(F)nc4 -MOL_01_010126,Cc1nc(ccc1)NC(=C)CCc2nccn2-c3ccc(CN)c(c3)CN -MOL_01_010127,Cc1cc(C)c(nc1C)NC(=O)CCc2nncn2-c3ccccc3ON -MOL_01_010128,Nc1ccc(cc1N)C2(C)c(cccc3)c3C(C24)=NCC4 -MOL_01_010129,Fc1ncccc1-c2c(=N)n(-c3ccccc3)cc(c2)-c4ccccn4 -MOL_01_010130,C=C(C)c(c1)ccc(c12)nc(C(N)(N)N)n2CCCCCl -MOL_01_010131,c1cccc(c12)Nc3c(C2)nc(nc3CCC)N4CCN(C)CC4 -MOL_01_010132,NOc1ccccc1NC(=N)CCn(c2=N)nc(c(c23)cccc3)-c4ccccc4 -MOL_01_010133,CCCC(O)C(CC)n(c1O)nnc(c12)cc(c2)-c3ccccc3 -MOL_01_010134,NCc1c(CN)c(CN)cc(c12)cc(nc2C)-c3cccc(c3)-c4ccccc4 -MOL_01_010135,FN(F)Cc1ccc(cc1)-c2nnc(n23)cncc3Cc(c4)ccc(c45)cccc5 -MOL_01_010136,Cc1ccc(cc1)-c2c(CN)c(N)c(CN)c(c23)CC(C3)c4ccc(C)cc4 -MOL_01_010137,Clc1cc(ccc1)C(=N)NC(c2cn(cn2)C3(CN)CC3)C4CCCCC4 -MOL_01_010138,Cc1nc(C(Cl)(Cl)Cl)nc(c12)n(nc2N)-c3ccccc3 -MOL_01_010139,NC(=O)CC(C)NC(CC)c1ccc(OC)c(c1C)C(=O)c2ccccc2 -MOL_01_010140,NCc(c1)c(CN)cc(c12)C(NC(=O)CCN)C(C2)CCc3ccccc3 -MOL_01_010141,COc1ccccc1N2CCN(CC2)C(=O)CCCCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_010142,OC(C1)C(C)(C)Cc(c12)c3c(cccc3)c4c2nccn4 -MOL_01_010143,CCc1ccc(cc1)N2C(=O)N(C(C)C2N)c3ccc(OC)cc3OC -MOL_01_010144,CCC1C(=O)N=c(c12)cc3c(c2)=NC(=N3)c4ccncc4 -MOL_01_010145,CC(C)(C)C(C)C(=O)N1C=CCC1C(=O)NCc2cc(Cl)ccc2-n3ccnc3 -MOL_01_010146,Cc1nccc(n1)N2CCN(C(C)N)CC(C2)CCc3ccccc3 -MOL_01_010147,CC1CCC(CC1)c2nc(C)nc(c2)-c3cccnc3CN -MOL_01_010148,C=C(O)c1cccc(c1)C2N=C(C(C)C)CC(N)=C2C(=O)CCN -MOL_01_010149,N=C(O)C(=N)N1CCc(c12)cc(cc2)CN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_010150,Cc(n1)nc(C)c(c12)cc(cc2)CN(CCN)c3ccc(c(F)c3)Cc4ccccc4 -MOL_01_010151,c1cnccc1C(CC2)C(N)c(n23)cc(n3)CCc4ccccc4 -MOL_01_010152,C1CC(=C)C(C)=C(C12C)C=Cc3c2cc(CN)c(CN)c3C -MOL_01_010153,c1cccc(c12)N(C(=N)C2=N)CN3CCN(CC3)Cc4cccc(Cl)c4 -MOL_01_010154,NCc1ccc(cc1CN)C2N(c3ccc(CN)cc3)C(=C)C2CCCc4ccccc4 -MOL_01_010155,Cc1ccc(cc1)C2=NCC(Nc3ccccc3)=C(CN)C(=N2)N4CCOCC4 -MOL_01_010156,c1ccccc1CN2CCN(CC2)C(c3ccccc3F)c4nccn4Cc(c5)ccc(c56)OCO6 -MOL_01_010157,O=C(C)C1CCCc(c12)cc(cn2)-c3cncc(N)c3 -MOL_01_010158,NCCCn1ccnc1C2CCC(CC2)C(=O)c3cccc(n3)CCN -MOL_01_010159,CCCC(=O)N1CCN(CC1)C(=O)CCc2cc(=O)n(C)c(c23)cccc3 -MOL_01_010160,Cc1cccc(c12)C3CC2N(C=N3)C(=O)OCc4ccccc4 -MOL_01_010161,CCc1ccc(cc1)Cc2nnn(c23)c4c(c(n3)C)cccc4 -MOL_01_010162,NCc1nc(nc(c1)CN)CC(=C)CCc2c(C(=C)CCC)c(Cl)nn2C -MOL_01_010163,Cc(c1)ccc(c12)nccc2Cc3cc(CC)c(cc3)CC(N)Nc4cnn(c4)CC -MOL_01_010164,C=C(C)c(n1)cn(c12)CC(CC2)CCc3ccc(cn3)-c4ccc(CN)cc4 -MOL_01_010165,C1CC1C(N)Cc(nc2)cc(c23)ccc(c3)-c4cc(CO)ccc4Cl -MOL_01_010166,CNC1N=NC(N1)n2cnc(c23)c(C)nc(n3)C -MOL_01_010167,Fc1cccc(Cl)c1Cn2ccc(c23)c(ncn3)-n4ccnc4 -MOL_01_010168,Cc1c(C)nc(nc1C)N2C(O)CCC2c3c(Cl)cccc3Cl -MOL_01_010169,Clc1ccc(cc1)NC(=N)C(CC2(F)F)CN(C2)C(=N)c3cccc(c3)-c4ncccn4 -MOL_01_010170,C=C(C)C(CC1)c(n12)ccc2C(=C)c3ccc(cc3)CCNN -MOL_01_010171,NCC(=C)c1ccc(CN)cc1Cc2ccnc(c23)cc(CN)c(c3)CN -MOL_01_010172,CCCc1nnc(n12)cc(cc2)CCCC3CCN(CC3)c4ccc(C)nn4 -MOL_01_010173,Cc1c(CN)cc(cc1CN)-c2cn(cn2)-c3nc(N4CCCCC4)nc(n3)N5CCCCC5 -MOL_01_010174,NCc1ccc(cc1CN)CNC(N)C(C2)Cc(c23)nccc3-c4cccc(F)c4 -MOL_01_010175,CC(=N1)CCCC1(C(F)(F)F)c2cccc(c2)NC(N)c3ccc(cn3)NN -MOL_01_010176,C=C(C)c1cnc(N)n1CCn(c2=O)cnc(c23)cc(F)cc3 -MOL_01_010177,NCc1ccc(CN)cc1N(CC(C)N2CCC(C)CC2)Cc3ccc(CN)c(c3)CN -MOL_01_010178,CC(=O)C1CCC(CC1)C(=O)c2ncn(c2N)-c3cccc(c3)CN -MOL_01_010179,CC(C=1)=Nc(c12)c3c(cc2)=NC(=C3)NC(=O)C4CC4 -MOL_01_010180,CCCn1c(C)cc(c1C)C(N)COC(N)c2cc(c(Cl)cc2Cl)CNCC(C)C -MOL_01_010181,C=C(O)c1cccc(c1)CN2CCN(CC2)c3ccc(CC(C)C)c(c3)NC(=O)c4cnccn4 -MOL_01_010182,O=C(C)C1=C(C(C)(C)C)CC(N12)C(C2=O)CNC(=O)CCNC(=O)Cc3ccccc3 -MOL_01_010183,NCc1cc(CN)ccc1NC(=C)c2cnc(c(c23)cccc3)Nc4ccc(C)c(C)c4 -MOL_01_010184,C=C(O)c1ccc(C)c(c12)nc3c(cccc3)c2CCCCC(=O)C -MOL_01_010185,n1cccn(c12)ncc2C(N)Cc3cc(Cl)ccc3Oc4ccccc4 -MOL_01_010186,Cn1nccc1CNc2cc(nn(C)c2=O)CCC3CC3c4ccc(cn4)CN -MOL_01_010187,C1NNNCN1C(=O)NNC(C(=O)C)CC(=O)c2cc(nn2C)-c3ccccc3 -MOL_01_010188,CCCC(=O)c1cccc(c1)CC(=O)C(C=2C)=CC(C23)=NC=NC3=O -MOL_01_010189,C1CCCC1C(=O)N(CC2)CCc(n23)ncc3CCc4ccccn4 -MOL_01_010190,CC(=N)c1c(C)c(C)cc(c12)C(=N)c3c2cccc3N -MOL_01_010191,COCCCc1ccc(Cl)c(c1)CN(C2CC2)C(=N)C3CNCCC3c4ccn(C)c(=N)c4 -MOL_01_010192,NCc(c1)c(CN)cc(c12)c(c3c(CCC3=O)c2CC(=O)C)-c(c4)ccc(c45)CCC5 -MOL_01_010193,C1CCCc(c12)ncc(c2)C(=C)N(CCC3)CC3(OC)CCOCN -MOL_01_010194,CC(=O)c(c1C)cc(n12)nc3c(n2)CCCC3 -MOL_01_010195,n1cccc(c12)c(=N)nc(n2C)-c3ccc(N)cc3N -MOL_01_010196,NC1CCC(CC1)C(=C)c2c(c(N)n(C)c2N)CCc3cc(N)ccc3CC -MOL_01_010197,Cn1ncc(c12)c(nc(n2)Cl)CCc3ccc(Cl)cc3 -MOL_01_010198,c1ccccc1C2(O)CN(C2)C(=O)c3cc(C)c(cc3)NCc4cccc(c45)cccn5 -MOL_01_010199,n1c(C)c(C)nc(c12)c(Cl)cc(C(N)(N)N)c2C(=C)O -MOL_01_010200,c1cc(F)cc(c12)cc(cc2O)C(O)CC3CCN(CC3)Cc(c4)ccc(c45)CC(CO5)O -MOL_01_010201,Cc1cn(c(n1)C)CC2CCCN2CC(=O)Nc3cccn3C(C)C -MOL_01_010202,Fc1cccc(F)c1C(=N)c2c(C)nc(n23)ccc(c3)C(=N)c4ccccc4 -MOL_01_010203,Cc1ccc(cc1)-c2nnc(CCC(=N)N(C)C)nc2-c3ccc(C)cc3 -MOL_01_010204,CC(=O)CCc1c(C2CCC2)ccc(c1F)-c3cnc(C)cn3 -MOL_01_010205,N=C(N1)C(C)Nc(c12)c(ccc2)C(=N)NCCCN3CCCc(c34)cccc4 -MOL_01_010206,C=C(O)c1cccc(c1)-c(n2)nc(c(c23)cccc3)Cc4cc(OC)ccc4OC -MOL_01_010207,Cc1ccc(cc1)CN(C(N)C(C)(C)C2)c(c23)cc(cc3)C(N)N4CCCCC4 -MOL_01_010208,c1ccccc1C(=O)CCC(=O)CC2C(=O)CCN2C(=O)CCc3ccccc3 -MOL_01_010209,CNc1c(CN)c(N)c(CN)c(n12)nc3c2cccc3 -MOL_01_010210,CCc(n1)nc(C)c(c12)CCC2c3ccc(CN)cc3 -MOL_01_010211,Fc1ccc(cc1)C(C2)C(C(N)OCC)=C(C)Nc(c23)cccc3 -MOL_01_010212,NCc(c1)ccc(c12)n3c(c2)nc(Cl)c(c3N)Cc4ccccc4 -MOL_01_010213,CCOc1cc(ccc1OC)CN(C)Cc2nnc(n2CC3CCCO3)CCc4ccccc4C -MOL_01_010214,c1cc(Cl)cc(c12)C(=O)C(=C)C(=O)C2C(=O)CCc3ccc(F)cc3 -MOL_01_010215,NCCCN1C(=C)C=Nc(c12)cnc(n2)Nc3cccc(c3)CC -MOL_01_010216,O=C1N(C)C(=O)N=C2N=c(c3=C12)cccc3 -MOL_01_010217,COc1ccccc1CNC(=O)C(Cc2ccccc2)NCc3cccc(c34)cccn4 -MOL_01_010218,NCCc(cc(n1)C)c(c12)cc(C)c(c2)NC(=O)c3cccc(c3)CN -MOL_01_010219,c1ccccc1C(C)CNC(=O)c2ccc(cc2)Nc3nc(c4n(c35)ccn5)cccc4 -MOL_01_010220,Cc1cc(ccc1)N(CN)CC(=C)NC2=C(C)N(C)N(C2=C)c3ccccc3 -MOL_01_010221,c1cccc(n12)c(nc2C(C)C)C(N)CCC3(C)CCN(CC3)CC4CCOCC4 -MOL_01_010222,Cn1cc(cn1)CN2CCCC(C2)c3cccc(n3)-c4cncnc4 -MOL_01_010223,Cc1ccc(cn1)CCc2c(CN)ncnc2N3CNCNC3 -MOL_01_010224,CCc1nc(N)nc(N)c1CCCc2cc(ccc2C)-c3ccncc3 -MOL_01_010225,Fc1ccc(F)cc1C(=N)C2CCCN(C2)C(=N)c(c3)ccc(c34)nccn4 -MOL_01_010226,Cc1cc(N)nc(c12)n(nc2)CCCCN -MOL_01_010227,O=C1OCC(C12)=NC(=O)N=C2c3ccco3 -MOL_01_010228,OCc(n1)c(CO)cc(c12)CCCC2C(O)Cc3ccc(C(F)(F)F)cn3 -MOL_01_010229,CCC(=O)C1=C(C)CC(c2ccccn2)=NC1Nc3ccccc3 -MOL_01_010230,NCc1cc(C(F)F)c(CN)cc1-c2nccc(c23)cc(cc3)CCc4ccncn4 -MOL_01_010231,Cc1ccc(cc1)-n2ccnc2CCC(O)NC3CCCc(c34)cccc4 -MOL_01_010232,CC(=O)c1c(C)c(C)nc(c1C(=O)C)Cc2ccccc2Cc3ccccc3 -MOL_01_010233,Cc1cccc(c1C)N2CCN(CC2)C(=O)c3cccc(c3)NC(C=4)=NC(C45)C=CC5 -MOL_01_010234,Cc1ccc(cc1C)-n2ccnc2CCC(=O)Nc(c3)ccc(c34)C(=O)CC4 -MOL_01_010235,CCOC(N)C1=C(C)NC(N)=C(CN)C1c2ccc(cc2)-c3ccccc3 -MOL_01_010236,Cc1ccccc1N2C(=N)C(Cl)=C(C2=N)N3CCCC3 -MOL_01_010237,CCc1ccccc1CC(O)c(c2C(C)O)c(C)nc(c23)cccc3 -MOL_01_010238,C1COCCN1C(N)c(c2)ccc(c23)Cc4c(cccc4)C(N)N3Cc5cccc(Cl)c5 -MOL_01_010239,CCCC(O)Cn1cnc(c12)nc(C)nc2CCc3ccccc3 -MOL_01_010240,CCc1cc(ccc1N)Cc2ccc(cn2)N3C(=O)NC(C3=O)NN -MOL_01_010241,O=C(C)c1cccc(c12)c(ncn2)CCc3cccc(c3)CC(=O)c4cccc(c4)OCCCO -MOL_01_010242,CCCC(N)c1cc(nn1C)-c2cccc(c2)CC(N)NC3CCCCC3 -MOL_01_010243,CCCc1cc(N)c(Cl)cc1C(=O)NCC2CCCN(C2)Cc3ccc(F)cc3 -MOL_01_010244,c1ccccc1CC(C(=O)CC)NC(=O)NCCc2ccccc2F -MOL_01_010245,NC(O)c1cc(ncn1)-c2ccc(c(Cl)c2)C3CCCC3 -MOL_01_010246,c1cnccc1N2CCN(CC2)C(=O)C3CN(C3)Cc4cccc(c45)c(Cl)ncc5 -MOL_01_010247,c1ccccc1-c2nc(nc(O)c2CN)CCC(N)N(c3ccccc3)c4ccccc4 -MOL_01_010248,C=C1CCCN1CC(=C)N2CCC(CC2)N(C(=C)C3(C)C)N=C3c4ccc(CN)c(c4)CN -MOL_01_010249,Fc1cc(ccc1)C2CC(=O)NC2c3cncc(c3)CCC4CCC4 -MOL_01_010250,COc1ccc(cc1)-c2cc(C(F)(F)F)nc(n2)CCC(N)NCc3ccc(F)cc3 -MOL_01_010251,NCCCC(C(=C)C)NC(=C)c1ccc(cc1)NCC(N2)CNc(c23)nc(N)nc3C -MOL_01_010252,c1cnccc1NC(N)c2cc(cnc2C)-c3cnn(c3)CCN4CCOCC4 -MOL_01_010253,Fc1ccc(cc1)C2(C)CCN(CC2)CC3CC(=O)N(C3)c4ccc(CN)cc4 -MOL_01_010254,Cc1cc(C)nc(n1)CCC(N)Nc2ccnc(c23)cccc3 -MOL_01_010255,C1CCc(c12)ccc(c2)CNC(=O)CN3CCN(CC3)c4ccc(C(F)(F)F)cn4 -MOL_01_010256,C1CCCCN1c2cc(CCN)nc(n2)CCc3ccc(Cl)cc3 -MOL_01_010257,CC1CCN(CC1)c2cc(C)nc(n2)CCC(O)c3ccccc3 -MOL_01_010258,COc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)C(C)c(c4)ccc(c45)cc(cc5)OC -MOL_01_010259,NOc(cc1)cc(c12)ccc(c2)C(C)c3nnc(n34)CCC(=N4)c5ccc(Cl)cc5 -MOL_01_010260,Cc1ccc(cc1)NC(=N)Cn2c(=N)c(ccc3)n3c(c24)cccc4 -MOL_01_010261,c1ccccc1C(C(=O)N)NC(=O)c2ccc(C3CC3)c(n2)CCC4CC4 -MOL_01_010262,CCCN(CC1)CCC12c3c(cccc3)C(=N2)C(=O)NC4CC4 -MOL_01_010263,CCC(=O)c1ccc(cc1)CC(=O)C2CC(=O)N(C2)c3ccc(C)cc3C -MOL_01_010264,NCc1cccc(c1)-c2cn(cn2)CCCCCn3cccc(O)c3=O -MOL_01_010265,Oc1ccc(cc1)-c2nc(nc(O)c2CN)CCc3cccc(F)c3F -MOL_01_010266,C1NCNCN1CCNC(=C)c(c2)ccc(c23)n(c(N)c3N)Cc4ccc(C)cc4 -MOL_01_010267,Cc(c1)ccc(c12)Nc3c(C(N2)=N)cccc3 -MOL_01_010268,CCCC1CCC(CC1)CC(CCNC)C(N)(N)c(c2)ccc(c23)cccc3 -MOL_01_010269,c1cccc(c12)C(=N)C(C2)Cc3nccn3-c4c(N)cc(N)cc4N -MOL_01_010270,c1cccc(c12)NC(NN)=C(N2)c3c(C)n(cc3)-c4ccccc4 -MOL_01_010271,NCc(c1)ccc(c12)CC(CCC)(CCC)C(C)C2Cc3ccc(=O)n(n3)CNN -MOL_01_010272,CCN(CC)CCCNC(=O)c(c1C)c(C)nc(c12)CCCC2 -MOL_01_010273,c1cccc(c12)CC(C(C2=O)CCO)c3ccc(OC)c(c3)COc4ccc(cc4)CC(=O)C -MOL_01_010274,OCCCN1CCc(c12)cc(cc2C(=N)N)CC(C)NCCCc3ccccc3CN -MOL_01_010275,NCCC(=C)C1=C(N)NC(CNCCN)=NC1c2cccc(c23)cccc3 -MOL_01_010276,c1ccccc1N(C)C(N)Cn2c(N)cc(c23)ccc(c3)-c4cccc(c4)CN -MOL_01_010277,Cc1ccc(n12)nc(cc2N)COc3ccccc3NC(N)c4ccc(C(C)(C)C)cc4 -MOL_01_010278,Nc1ncnc(c12)CC(C)(C)C(=N2)c3ccc(cc3)C4CCCCC4 -MOL_01_010279,Cc1cc(nc(n1)C)Cc2nnc(n2-c3ccc(CN)cc3)CCC(C)NC4CCCC4 -MOL_01_010280,NCc1cccc(c12)ncc(CN)c2Nc3ccc(cc3)Cc4ccccc4 -MOL_01_010281,Clc1cc(C)c(cc1C)CN2C=CNC(=O)C2CC(=O)N(CC3)CC34CCN(C)C4 -MOL_01_010282,Cc1ccc(cc1)C2=C(CN)C(N)CC(=C23)c4c(CC3)cccc4 -MOL_01_010283,NOc1cc(F)ccc1Oc(nc(c23)cccc3)c(n2)C(N)Cc4ccncc4 -MOL_01_010284,CCCC(O)c1n(C)c(C(=C)O)c(c1)-c2ccc(Cl)cc2 -MOL_01_010285,c1ccccc1CCn(cc2C)c(c23)cc(cc3)C(N)Nc4c(F)cncc4F -MOL_01_010286,Cn1ccnc1C(c2cccc(F)c2)CC(O)c(c3)ccc(c34)nc(O)c(n4)O -MOL_01_010287,c1ccccc1C2(CN)CCN(CC2)CC(O)CCc3ccc(Cl)cc3 -MOL_01_010288,c1cccc(c12)C(NC(C)=N)C(=N)N2CCC -MOL_01_010289,Cc1nccn1Cc2ccc(n2C)C3CCCN(C3)c4ncccn4 -MOL_01_010290,COc1ccccc1Nc2ccnc(N)c2C(N)Nc3ccc(cc3)C4CCN(C)CC4 -MOL_01_010291,Cc1ccc(c12)c3c(cc2)c(O)c(C(C)O)cn3C -MOL_01_010292,NOc1ccc(cc1)-c2nnc(nc2-c3ccc(ON)cc3)CCC(=O)NC4CCCCC4 -MOL_01_010293,CCc1cccc(c1)-n2ccnc2CCC(O)Nc3ccccc3C(F)(F)F -MOL_01_010294,NCc1ccc(N)c(c1)-c2cc(ncn2)-n3cccc3 -MOL_01_010295,N1CCN=C1CCc2nc(C)c(CN)c(c2CN)-c3ccc(cc3)OCC4CC4 -MOL_01_010296,NCC(=C1C)CC(C12)NC(=O)C(=C2C)c3cccc(c3)Cc4ccccc4 -MOL_01_010297,N=C(O)Cc1ccccc1OCCC(Oc(c23)cccc3)C(=N)N2CCCCCCO -MOL_01_010298,Fc1nc(ccc1)NC(=C)C(C2)C2(c3ccccc3)CCc4cnc(C)nc4C -MOL_01_010299,NCc1ccc(nc1)CC(=O)C2CNNc(c23)ccc(n3)N=O -MOL_01_010300,c1cccc(c12)CC(C(=C)CCC)C(C(=C)CN)=C2C(=C)CN -MOL_01_010301,Nc(c1)ccc(c12)ccc(c2)CCC(N)N3CCN(CC3)c4ccc(Cl)c(Cl)c4 -MOL_01_010302,COc1ccc(cc1)-c2cc(C(C)(C)C)nc(n2)CCC(N)Nc3ccc(C(C)N)cc3 -MOL_01_010303,CNN1CNC(N1)n2cnc(c23)c(C)ncc3 -MOL_01_010304,n1c(C)c(C)nc(c12)c(N)c(Cl)c(N)c2C(=C)O -MOL_01_010305,c1ccccc1CCC(O)c(c2)ccc(c23)OCCN(C3)C(O)c4ccnc(c4)-n5ccnc5 -MOL_01_010306,CCNc1ccc(cc1C)C(N)(N)C(CC)CC(N)CCc2ccccc2 -MOL_01_010307,CCCC(=O)c1ccc(cc1)NC(=O)Cc2cccc(c23)cccn3 -MOL_01_010308,CCC(=O)c1ccccc1NC(=O)CCc(c2)ccc(c23)CCC3 -MOL_01_010309,C1CNCCC1(C(=O)N=C)CNC(=O)c2ccc(cc2)CCc3cc(C)nc(c34)cccc4 -MOL_01_010310,NC(N)(N)c1ccncc1-c2cccn2-c3ccc(Cl)cc3 -MOL_01_010311,Nc1ccc(cc1C)OCC(O)CC(C2)CCc(c23)cccc3 -MOL_01_010312,NCc(cc1)cc(c12)C(C(C)C(C2)(N)N)CC(=O)c3cnccc3Cl -MOL_01_010313,CC(C=1)=Nc(c12)c3c(cc2)=NC(=C3)CC(N)C4CC4 -MOL_01_010314,NOc(c1)ccc(c12)c(cc(o2)=O)CC(C3=O)Oc(c34)cc5c(c4)cccc5 -MOL_01_010315,CCC(=O)Cc1c(C(=O)CC)ncn1-c2cccc(C(F)(F)F)c2 -MOL_01_010316,OC1NC(O)(O)N=C(C1=2)c3c(C2)cccc3 -MOL_01_010317,Cc(n1)ccc(c12)c(ccc2)OC3CCN(CC3)Cc(c4)ccc(c45)OCC(=O)C5 -MOL_01_010318,Cc(c1)ccc(n12)nc(C)c2C(O)N3CC(C3)Cc4ccccc4CN -MOL_01_010319,Fc1cc(F)ccc1C(C)(Cn2cncn2)Cn3cnc(c34)nccc4 -MOL_01_010320,CCc1ccccc1N2CCN(CC2)CC(O)CNC(=O)c3cccnc3Cc4ccccc4 -MOL_01_010321,NCc1cc(N)c(Cl)cc1C(=O)NCC2CCCN(C2)CCc3ccccc3 -MOL_01_010322,CCc(n1)cn(c12)CCC(C2)CCc3ccc(cn3)-c4ccc(F)nc4F -MOL_01_010323,c1cccc(c12)n3c(nc2O)c(cc3)C(O)N4CCCCCC4 -MOL_01_010324,Cc1ccc(cc1)CNC(=O)CCCc(c(C)c2)cc(c23)CCC(=O)N3 -MOL_01_010325,C1CCCC1NC(C)CCc2n(-c3ccc(cc3)CC)c(nn2)Cc4cc(C)nc(n4)C -MOL_01_010326,CN(C)CCC(CN(C)C1O)Cc(c12)cncc2N(C)C -MOL_01_010327,Cc1ccc(cc1C)NC(=O)c(c2)ccc(c23)N(CC3)CN -MOL_01_010328,Cc1cn(nn1)CC2CC(=O)N(C2)c3ccc(c(C)c3)C4=CCCCC4 -MOL_01_010329,Cc1cccc(c12)c3c(cn2)C(O)c4c(C3O)cccc4 -MOL_01_010330,Oc1c(N)cc(cc1N)C(N=2)=NC(=O)C(C23)=C4C(=C3)CCC4 -MOL_01_010331,Cc1cc(C)nc(n1)N2C(=O)CCC2c3c(N)cccc3N -MOL_01_010332,CN1CCC(CC1)Cc2nc(N(C)C3CC3)nc(c24)cc(ON)c(c4)ON -MOL_01_010333,Oc(c1)ccc(c12)CCC(=C)N2CC(=C)NCCc3ccc(CN)c(c3)CN -MOL_01_010334,CC(=O)CCc(c(Cl)c1Cl)cc(c12)CC(C2=O)(N)c3ccccc3 -MOL_01_010335,CCc(c1C)c(C)nc(c12)c(N)c(N)c(c2)N -MOL_01_010336,NCc1ccccc1-c2cc(NC(C)O)nc(n2)-c3ccccc3CN -MOL_01_010337,Oc1cc(ccc1)CC2CC(C)N(C2=O)c3cccc(c3)C(=O)O -MOL_01_010338,CC(=O)C(C(=O)N=1)=CC(C12)=C(C)C(=C2)C(=O)c3ccc(C)cc3 -MOL_01_010339,CCc1nc(C)nc(C)c1-c2cc(C(=C)O)c(cc2)NCc3ccc(cc3)C(O)NC -MOL_01_010340,CCc1ccc(Cl)c(c1)C2(N)C(=N)Cc(c23)c(C(N)(N)N)ccc3 -MOL_01_010341,Oc1cnc(n12)C(O)(CN=C2)c3ccc(Cl)cc3 -MOL_01_010342,C=c1cc(c(=C)[nH]1)Cc2ccc(cc2)CCc(n3C)nc(c34)ccc(n4)C -MOL_01_010343,c1ccncc1-c2ccc(CN)c(n2)CCc3ccc(Cl)c(Cl)c3 -MOL_01_010344,CNC(=O)Nc1ncc(CC2CCCCC2)cc1Cc3ccnn3C(C)C -MOL_01_010345,Cc1c(Cl)cccc1CC(N)c2ncn(c2C)-c3ccccc3F -MOL_01_010346,CC(=O)c1c(C)nc(n1C)-c2ccc(cc2)CCC(=O)Nc3cccc(C)c3C -MOL_01_010347,Cn1cccc1Cc2nnc(n2-c3ccc(F)cc3)CCC(N)N4CCCCCC4 -MOL_01_010348,NCCCCC(N)c(c1C)cnc(c12)n(cc2)CCCCN -MOL_01_010349,Cc(c1)nnc(c12)c3c(C2=C)ccc(c3)CN -MOL_01_010350,C1CC1(C)CC(=O)N(CC23)CC(CCC2)C3Cc4ncnc(c4Cl)Nc5cccnc5Cl -MOL_01_010351,CCCc(c1)ccc(c12)CN(C2)C(O)c3nc(N)nc(c34)ccc(c4)C -MOL_01_010352,NCc1ccc(cc1)-n2ccc(CN)c2-c3cccc(c3)CN -MOL_01_010353,NCc1ncnc(C(CC2)CCC2(N)O)c1CCc3ccc(N)nc3 -MOL_01_010354,c1ccccc1Oc2ccccc2NC(=O)CCCCCCn3cnc(c3)-c4cccnc4 -MOL_01_010355,c1cccc(c12)nc(C)c(=N)n2CC(=N)Cc3ccc(Cl)cc3 -MOL_01_010356,CCn1c(C)nc(c12)cc(cn2)C(N)NCCc3ccccc3F -MOL_01_010357,C=C1C=C(N)C=CN1C(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_010358,CC(C)(C)n1ccnc1C(c2ccccc2)NCCCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_010359,O=C1N=CN=c(c12)n3c(c2)nc4c3cccc4 -MOL_01_010360,C1CCCC1CC(N)Cc2n(C)nc(C)c2C(N)c3ccccc3F -MOL_01_010361,CCc1c(C)nc(CN)nc1-c2ccc(Cl)cc2Cl -MOL_01_010362,C1CC(=N)c(c12)ccc(c2C)C(CC)CN(CC3)CCC34CC(C)N(C4=N)C5=CC(=N)CC5 -MOL_01_010363,c1cccc(c12)N(C(=C)C(C2)(N)N)Cc3ccccc3 -MOL_01_010364,CC(=O)c1ccc(F)c(c1)-c2cc(C)cc(c23)CC(C3)CNC(=O)c4ccnn4C -MOL_01_010365,CCCC(=O)C1=C(NC(=O)NC1C)CCC(=O)c2ccc(Cl)c(c2)CN3CCCCC3 -MOL_01_010366,Cc1ccc(c(c1)CN)-c2ccnc(n2)Nc3cc(C(=O)N)c(CN)cc3C -MOL_01_010367,NCc1nc(CN)ccc1C(C(=C)C)N2CCC(CC2)Cn3cccn3 -MOL_01_010368,C=C(O)c1ccc(cc1)-n2ccc(c23)cnc(n3)Cc4cc(CN)c(CN)c(c4)CN -MOL_01_010369,c1cccc(c12)c3c(c(c2)N)C(C(=C(C3)C)CN)c4cc(N)cc(c45)ccc(c5)C -MOL_01_010370,C1CC(N)Nc(c12)cccc2N(C)CCCCCC(C)(C)O -MOL_01_010371,CNC(=O)c1cc(ccn1)Cc(c2)ccc(c23)n(C)c(n3)NC4CCCCC4 -MOL_01_010372,CCn1nccc1Cc2cc(CC3CCC(O)CC3)cnc2NC(O)NC -MOL_01_010373,FC(F)(F)c1cc(ccc1)CCc2nc(C)cn(c23)cc(c3)C(=N)N4CCCC4 -MOL_01_010374,CC(C)CCOC1C=CC(=O)C(O1)Cn2cnc(c2)CCn3cnc(c3)-c4ccccc4 -MOL_01_010375,Cc1ccc(cc1)NC(C2)=NN=Nc(c23)cc4c(n3)c(N)c(C)cc4 -MOL_01_010376,CCCC(N)CC1CCCc(c12)c(cnc2)-c3ccc(CN)cc3 -MOL_01_010377,CCc1nc(C)nc(C)c1-c2cc(C(=C)O)c(cc2)NCc3ccc(F)cc3 -MOL_01_010378,Cc1cccc(C(C)C)c1NC(=O)C(C)CC(=O)Cc2nnc(C)c(c23)cccc3 -MOL_01_010379,FC(F)(F)c1ccc(cc1)NC(O)CCc2nc(C)c(c(n2)N)NC(O)c3ccc(F)c(F)c3 -MOL_01_010380,CCCc1ccc(cn1)C(=O)NCCNC(=O)c2cn(nc2C(C)(C)C)-c3ccccc3 -MOL_01_010381,c1cccc(c12)n3c(nc2C)c(nc3)C(=O)C4CNCNC4 -MOL_01_010382,Cc1ccc(cc1C)CCCC(C2O)=CC(O)c(c23)cccn3 -MOL_01_010383,NCCC(=C)c1cnn(CC(C)N)c1NC(=C)N2CCN(CC2)Cc3ccccc3 -MOL_01_010384,Cc1cccc(c1)-n2cnc(c2)C(N)N3CCCC(C3)n4cccn4 -MOL_01_010385,COc1ccc(cc1)C2(O)c(cccc3)c3C(N24)NCCC4 -MOL_01_010386,CC1(C)CC(C)(C(=N)N1C)c2ccc(cn2)NNc3ccccc3 -MOL_01_010387,O1OOOOC12CC(=C)N(C)N2C(=C)CCOc3ccc(CC)cc3CC -MOL_01_010388,Cc1ncnc(c12)Nc3c(C2)cc(CN)c(c3)CN -MOL_01_010389,C1CCCCC1c(c(c23)nccc2)nc(n3)-c4cnc(C)nc4 -MOL_01_010390,Cn1n(C)cc2c(=O)cc3n(C)n(C)cc(c(=O)c4)c3c2c14 -MOL_01_010391,c1cccc(c12)nccc2C(OCC)C(N)Cc3ccc(Cl)c(Cl)c3 -MOL_01_010392,c1cccc(c12)NCC(CNC)C2Cc3cccc(N)c3N -MOL_01_010393,c1ccnc(c12)CCCC2C(=O)NCc3ccc(F)cc3Cl -MOL_01_010394,CCC(=O)c1ccc(nn1)N2CCC(CC2)Cc3ccccc3CN -MOL_01_010395,NC(N)Oc1ccc(cc1)CN(CC2)C2(N)C(O)Nc3cccc(c34)cccn4 -MOL_01_010396,COc(c1)c(OC)cc(c12)cc(c(n2)C)CCC(=O)c3ccco3 -MOL_01_010397,Cc1cc(C)nc(n1)C2CCN(C2)C(N)CCn3cnc(c34)cccc4 -MOL_01_010398,c1ccccc1NC(N)N(C)C2CCN(CC2)c3cc(N)nc(n3)N -MOL_01_010399,Cc1c(Cl)cccc1Cc2c(C(C)N)cnc(c23)cc(CN)c(c3)CN -MOL_01_010400,CNc(n1)ccc(n12)c(N)nc2CCCCCCC(=N)c3ccccc3 -MOL_01_010401,Nc1ccc(cc1)-c2cn(cn2)-c3ccnc(c34)cc(Cl)cc4 -MOL_01_010402,Cc1cc(C)c(cc1ON)N(C2=O)C(=O)C(C23)CCCC3 -MOL_01_010403,Fc1n(C)ncc1C(=O)NC(C)c2ccc(cc2)CC3CCN(C3)c4ccnc(c4)CCC5CC5 -MOL_01_010404,c1cccc(c12)ccn2-c(cc(N)c3)c(n34)ncc4NCNCc5ccccc5 -MOL_01_010405,NC(N)N1CCC(CC1)Cc2cc(ccc2CC)C(=O)NCc3ccc(cn3)CN -MOL_01_010406,COc1ccc(cc1)CC(N)c2cc(CC(C)C)nc(c23)cccc3 -MOL_01_010407,O=C(O)C1CCCN1C(=O)CC(CC(=O)C)C(=O)c2ccc(cc2)Oc3ccc(C)cc3 -MOL_01_010408,OC(N1)CCCc(c12)cc(cc2)CNCC3CCC(CC3)C(O)Nc4ccccc4F -MOL_01_010409,COc1c(OC)cc(cc1OC)C2C=C(c3ccc(O)c(C)c3)C=C2C(N)c4ccncc4 -MOL_01_010410,CC(=O)c1cc(ccc1)CC(C2(CC)CC)N(C2=O)C(=O)CCc3ccccc3 -MOL_01_010411,Oc1ccc(cc1)CNC(=C)COCc(c2)ccc(c23)N(C(C3)O)C(=C)C4CC4 -MOL_01_010412,O=C(N1)C(C)Cc(c12)ccc(c2)C(=O)N(CC)CC(=O)Nc3c(Cl)cccc3Cl -MOL_01_010413,CC1CC(C)(C)Cc(c12)ccc3c2CCc4c3cc(N)cc4N -MOL_01_010414,CC(C)CCCCCn1c(O)nc(O)c(c12)nc(n2)Cl -MOL_01_010415,c1ccccc1Cn2ccnc2C3(C)CCC(N)N3CCOc4ccccc4 -MOL_01_010416,NCc1cccc(c1)-c(n2)nc(N)c(c23)cc(CN)c(c3)CN -MOL_01_010417,CC(C)N1CCN(CC1)C(C2N)=C(C(N)c(c23)cccc3)Nc4ccc(F)cc4 -MOL_01_010418,CCc1cc(ncn1)N(C2)CCC(CCC3)C23CCc4nccc(n4)C -MOL_01_010419,CC1=NCC(C)c(c12)nc(CCN)c(n2)-c3ccccc3 -MOL_01_010420,NCc(cc1)cc(c12)C(C(C)C(C2)(C)C)n(c3=O)ccc(c34)cccc4 -MOL_01_010421,CCCC(N)n1nc(-c2ccc(Cl)cc2)nc1CCc3ccc(ON)cc3 -MOL_01_010422,O=C1C(C)C(C)Cc(c12)c3c(CC(C)(C)C=C3)c(c2)C(=O)Nc4ccncc4 -MOL_01_010423,o1cnc(c12)ccc(c2)C(C)C(N)c3ccc(cc3)OCc(n4)ccc(c45)cccc5 -MOL_01_010424,CCCCC(O)NCCc(c(n1)C)cc(c12)c(CN)ccc2CN -MOL_01_010425,CC1CCC(CC1)NC(=N)C(c(c23)cccc3)N(C2=N)CCCN4CCCCC4 -MOL_01_010426,c1ccccc1-c2cnc(cc2)NC(N)Cn3cnc(c3)-c4ccncc4 -MOL_01_010427,CCc1ccc(cc1)CNC(=C)c2cc(N)c(CN)c(n2)-c3cncnc3 -MOL_01_010428,CCc1ccc(cc1)C(CC)N(C2O)Cc3cccn(c3c24)nc4 -MOL_01_010429,NCc(c1C)c(CN)c(CN)c(c12)N(C)c3c(C2=C)cccc3C -MOL_01_010430,C1CCC(N12)C(CN)Nc3c(C2=C)cccn3 -MOL_01_010431,Cc(n1)ccc(c12)C(CC2)NC(=O)Cc3c(C)cc(Cl)cc3Cl -MOL_01_010432,Clc(n1)nc(c12)n(c(O)nc2O)CCC3CCCC3 -MOL_01_010433,Clc1ccc(cc1)-c2nn(CCCN)cc2C(N)Cc3cccc(c3)C(N)O -MOL_01_010434,NOc1cc(ccc1O)CC(O)(C2N)COc(c23)cc(O)cc3 -MOL_01_010435,CCc1ccccc1N2CCN(CC2)C(=O)CCc3nc(C)c(CC)c(n3)C -MOL_01_010436,CCc1cccc(c12)C(O)C3=C(C2O)C=CC(C3)(C)C -MOL_01_010437,CC1CCN(CC1)c2cc(C)nc(n2)CCC(=N)c3ccccc3 -MOL_01_010438,Cc(c1)ccc(c12)nc(c(c2)C(C)N)-c3ccccn3 -MOL_01_010439,c1cccc(c12)C(N)C(N)C(=C2N)C3CCC(CC3)c4ccc(F)cc4 -MOL_01_010440,Cc1ccccc1-c2cc(C(C)N)c(CN)c(n2)C -MOL_01_010441,CC(C)Cc(c1)ccc(c12)n(CN)cc(c2=O)C(=O)CC3NNNNN3 -MOL_01_010442,c1cccnc1-c2nc(CCC)c(c(n2)N)CC3CC3 -MOL_01_010443,COc1ccccc1NC(=O)C2CCN(CC2)Cc(c3)ccc(c34)CC(C)C(=O)N4 -MOL_01_010444,COCCCc1cc(Cl)cc(c1)CN(C2CC2)C(=N)C3CNCCC3c4ccn(C)c(=N)c4 -MOL_01_010445,NOc1cccc(c1)C(=O)C2CCCN(C2)CC(CO3)=Nc(c34)cc(cc4)ON -MOL_01_010446,COCCCc1cc(C)c(C)c(c1)CN(C2CC2)C(=N)C3CNCCC3c4ccn(C)c(=N)c4 -MOL_01_010447,NCCCCc(n1)nc(c(c12)cnn2C)CCc3ccccc3 -MOL_01_010448,Cn1cnc(c12)cc(cc2)C(N)N3CCN(CC3)c4ccccc4 -MOL_01_010449,NNCC(=C)c1cc(CN)c(N)nc1C2CCC(CC2)Cc3ccccc3 -MOL_01_010450,Nc1ccc(cc1)C2CC(=O)Oc(c23)cc(N)c(Cl)c3N -MOL_01_010451,Fc1cc(F)ccc1C(C)(Cn2cncn2)CN(C)Cc3cn(cn3)Cc4ccc(CN)cc4 -MOL_01_010452,Cc1cccc(c1)-c2nnc(n2C)CCC(=O)Nc3ncccn3 -MOL_01_010453,NCCCCCNc1ccc(c2c13)n(CCNCCC)nc2c4c(c3=C)c(C)ccc4C -MOL_01_010454,NCNC(=O)c1cc(ccn1)CNc2ccccc2C(=O)Nc(c3)ccc(c34)CC(F)(F)C4 -MOL_01_010455,CC(=O)C1CCCC1NC(=O)c(c2C)nc(CN)c(c23)cc(cc3)Cc4ccccc4 -MOL_01_010456,CC1=CC(=NC1=O)CC(=O)C(C)N(C2=O)C(=O)c(c23)cccc3 -MOL_01_010457,NCc(cc1)cc(c12)cc(C(=C)CN)n2C(=C)c3ccc(Cl)cc3 -MOL_01_010458,NCc1nc(nc(c1)CN)CC(=C)CCc2c(C(=C)CCN)c(C(=C)C)cn2C -MOL_01_010459,C1CC1Cn2cnc(c23)c(ncn3)CC4CCC4 -MOL_01_010460,C1CCCC12CN(C2)C(N)c3ccc(N(C4)CC4(F)F)c(n3)CCC5CC5 -MOL_01_010461,c1cccnc1N(C(O)c(c23)cccc3)C2Nc4ccc(Cl)cn4 -MOL_01_010462,CC(C)c1nn(C)c(CN)c1CNC2CCc(c23)cc(Cl)cc3 -MOL_01_010463,Cc1ccc(cc1)CCc2nc(C)c(CN)c(n2)-c3ccccc3 -MOL_01_010464,CC(O)c(c1)cc(O)c(c12)n(c3c2cccc3)-c4ccccc4 -MOL_01_010465,NC(=O)c1nnc(n12)c3c(cccc3)c(n2)Cc4cccc(Cl)c4 -MOL_01_010466,NCc1ccc(nn1)NC2=CC(O)C(O)c(c23)cccc3 -MOL_01_010467,CCC(C)Nc1nc(nc(c1=2)=NC(C2)=N)CCc3ccccc3 -MOL_01_010468,CC(C)(C)n1ccnc1C(c2ccc(C)cc2)NCCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_010469,CN(C)CCNC(N)C(N)c1c(cc(n12)cccc2)-c3ccccc3 -MOL_01_010470,Cc1nc(N)nc(c12)C=3C(=C2)N=CN3 -MOL_01_010471,c1ccccc1CNC(=N)c2c(N)cc(N)n(c23)c4c(n3)cccc4 -MOL_01_010472,C=C(N)c1cc(NC(C)C(=C)N)nc(n1)-c2ccc(cc2)Cc3ccc(cn3)CN -MOL_01_010473,NOc1ccc(cc1ON)Nc2nnc(n2-c3ccc(F)cc3)CCc4c(F)cccc4F -MOL_01_010474,C1CCCCC1NC(=C)CCc2nnc(n2C)-c3ccccc3C -MOL_01_010475,NCc1cccc(c12)C(O)c3c(C=C2)ncc(c3)C4CCCCC4 -MOL_01_010476,Cc1ccc(n12)nc(C)c(c2O)C(O)NCCCN3CCCC3O -MOL_01_010477,FC(F)(F)c(cc1)cc(c12)c(O)n(n2)CC(O)NC3CN(C3)C4CCC(CC4)c5ccccc5 -MOL_01_010478,CCc1cc(CO)c(cn1)CCc2cc(C(O)CC)cn(c23)ccn3 -MOL_01_010479,Nc(c1)ccc(c12)c(=O)n(CCN(C)C)c3c2cnc4c3cc5c(c4)CCC5 -MOL_01_010480,c1ccccc1C2=C(C(=O)CCC)C(C(=C(C2)C)CN)c3ccncc3 -MOL_01_010481,Cc1ccc(c(n1)N)C(N)C2CCC(CC2)c3nccn3C(C)C -MOL_01_010482,c1ccccc1C(CC(=O)C)NC(=O)Cn2cnc(c2)CCCNc3ccccn3 -MOL_01_010483,CCc1ccc(cc1)NC(C2O)=C(C(O)c(c23)cccc3)N4CCN(C)CC4 -MOL_01_010484,Fc1ccc(cc1)Nc2nn(cc2C(=C)C)C3CCN(CC3CN)C(=C)CCCCCN -MOL_01_010485,NCc(c1)c(CN)cc(c12)N(CCC)C=C(C2=C)Cc3ccc(C)cc3 -MOL_01_010486,CCCCc(n1)cc(n12)ncc(c2O)CC(O)c3ccc(C)cc3 -MOL_01_010487,C=C(O)c1nc(C)ccc1CCC(=O)c2cc(C)n(c2C)C3CC3 -MOL_01_010488,Cc1cccc(c12)cc3c(n2)CC(N=NC3)Nc4cccc(F)c4 -MOL_01_010489,C1CCCCN1c2cc(O)nc(n2)CC(O)Cc3cccc(Cl)c3 -MOL_01_010490,CCc1ccc(n12)c(C(C(C)O)C(C)O)nc3c2cccc3 -MOL_01_010491,CC(O)CCC(O)c(c(O)cc1C)c(c12)c(ccc2)-c3ccccc3 -MOL_01_010492,CCc1ccccc1C(N2CCC(C(Cl)N)CC2)c3nccn3Cc4ccccc4 -MOL_01_010493,CC(N)CC1CCCc(c12)c(cnc2)-c3ccc(CN)cc3 -MOL_01_010494,CCC(N)c1cnc(C)n1C(CC)c2ccc(Cl)c(Cl)c2 -MOL_01_010495,C1CCCc(c12)c(cc(C(O)O)c2CC)CCn3cnc(c34)C(O)CN=CC4 -MOL_01_010496,CCOC(=N)c1c(c(C)n(C)c1C)CNc2ccc(cc2)CN3CCC(C)CC3 -MOL_01_010497,CC(C)(C)Cn1c(C)c(C(C)=N)c(n1)-c(c2)ccc(c23)cccc3 -MOL_01_010498,C1CCCCC1CC(C)(N(CC)CC)CCc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_010499,CC(C)n1ccc(c12)c(cc(n2)C)-c3ccc(N)cc3 -MOL_01_010500,CC(O)c(n1)ccc(c12)c(ccc2CC)C(O)Nc3c(Cl)cncc3Cl -MOL_01_010501,CC(=O)N1CCC(CC1)c2cccnc2CC3CCN(CC3)c4cccc(n4)C -MOL_01_010502,c1ccccc1C2=C(N)N(CC2O)c3cccc(c3)CN4CCCCC4 -MOL_01_010503,c1ccccc1-n2nc(C)c(c2Cl)C(=O)CCC(=O)NCCc3ccc(CN)cc3 -MOL_01_010504,COc1ccccc1C(N)Cc(nc2)cc(c23)ccc(c3)-c4cc(F)ccc4C -MOL_01_010505,Cc1ccnc(c1)NC(=O)Nc(c2)ccc(c23)CCC(=O)N3C -MOL_01_010506,Cc1cc(nc(n1)C)NCc2ccc(cc2)NC(C)c(c3C)cnc(n34)ccc4C -MOL_01_010507,c1ccccc1N(C(N)CC)C2(COC)CCN(CC2)CCN(C3N)Cc(c34)cccc4 -MOL_01_010508,CC(C1)=NCC(C12)C(C)(C)Cc3c2c(O)cc(c3)CNNCCO -MOL_01_010509,Nc(n1)cc(N)n(c12)nc(n2)CCc3cccc(c34)cncc4 -MOL_01_010510,CC1CCC(CC1)Nc(n2)ncc(c23)CN(C(N3)O)c4ccccc4F -MOL_01_010511,CCN(CC)Cc1cn(cn1)-c2cc(C)nc(c23)ccc(c3)CN -MOL_01_010512,CCc1c(CC)cc(cc1CC)CC(C2=O)=NC(=O)c(c23)ncnc3 -MOL_01_010513,CC(O)c1ccc(cc1C)-n2cc(CN)c(c23)c(N)ccc3 -MOL_01_010514,NCc1ccc(cc1)Cc2cc(ncn2)N3CCC(CC3)Cc4ncc(F)c(n4)N -MOL_01_010515,CC1(C)CC(=O)c(c12)c(=O)n(cc2)CCc3ccc(CN)cc3 -MOL_01_010516,C=C(N)Cn1ccc(n1)NC(=C)c2ccc(N(C)C)nc2 -MOL_01_010517,Cc1ccc(cc1)N2C(N)C(Cl)=C(C2N)N3CCN(CC3)c4ncccn4 -MOL_01_010518,Cc1cccc(c12)c3c(cn2)C(N)c4c(C3N)cccc4 -MOL_01_010519,CNc(c(Cl)c1)cc(c12)CCCCCCCc3c(CN)ncc(n3)NC(N2)O -MOL_01_010520,c1cccc(c12)cc(o2)C(=N)NC(CC(C)C)C(=N)NC3CCCN(CC3=N)Cc4ccccn4 -MOL_01_010521,CCCCCCn1c(O)nc(O)c(c12)nc(n2)Cl -MOL_01_010522,C=1C=CC(C12)=NC(=O)N(C2=O)CCC(=O)N3CCN(CC3)c4cccc(Cl)c4 -MOL_01_010523,Cc(n1)nc(N)c(c12)n(c(c2)C)Cc3cc(N)cc(N)c3 -MOL_01_010524,Cc1ccc(cc1)C(=O)Cc(n2)nc(Cl)c(c23)cn(n3)C(C)C -MOL_01_010525,NCc(cc1)cc(c12)c(cc(n2)C)-n3cnc(c3)CN4CCCCC4 -MOL_01_010526,c1c(N)c(C)cc(c1C23C)C(N)C=C2C(C)(C)CCC3 -MOL_01_010527,C=C(C)c1cccc(c1)CNCCC(=C)c2c(N)nc(n23)cc(N)cc3 -MOL_01_010528,C1CCCC1NC(O)Nc2nc(ccc2C)C(O)N3CCC(CC3)c4ccc(CN)cc4 -MOL_01_010529,C=C(C)CCCCN1C(=C)C(C(N)CN)N=C(c(c12)cccc2)c3ccccc3 -MOL_01_010530,CC(C)Cn1ccc(c12)C(O)c3c(C2O)cccc3 -MOL_01_010531,NOc1ccccc1N2CCN(CC2)CC(O)CCn3cnc(c3)-c4ccccc4 -MOL_01_010532,c1ncccc1CNc2ccc(c(c23)cccn3)-c4cccnc4 -MOL_01_010533,c1cccc(c12)nc(nc2C)C(C)CCC(=O)c3cc(C)n(C)c3C -MOL_01_010534,Nc1ccc(cc1N)NC2CCCN(C2)C(N)c3cccc(c34)nccn4 -MOL_01_010535,C1CCc(n12)nc(O)c(c2=O)Cc3ccccc3 -MOL_01_010536,CCc1cccc(c1)CNC(O)c(n2)nc(O)c(c23)cc(C)n3C -MOL_01_010537,c1cccc(c12)c3c(c(=C)c2=C)CC(C3)c4cn(cn4)-c5ccc(CN)cc5 -MOL_01_010538,CCCC(=O)C1=C(C)C(NC(=N1)C)c2ccccc2CN -MOL_01_010539,Clc1ccc(cc1)CCC(=C)Nc2c(CN)c(C)nn2-c3ccccc3 -MOL_01_010540,Cc1cc(cc(n1)C)N2CCN(CC2)C(N)Cc3c(C)nc(C)nc3N -MOL_01_010541,C=C(C)c1nccn1CCCNc2ccnc(c23)cc(Cl)cc3 -MOL_01_010542,COc1cccc(c1)-c2c(F)c(F)c(c(F)c2F)Cc3ncccc3C(N)O -MOL_01_010543,Cc1ccc(c(n1)C)CNc2cc(nn(C)c2=O)CCC3CC3c4ccccn4 -MOL_01_010544,c1ccccc1CCC(C)Nc2nccc(n2)N3C(=O)CCC3C(C)C -MOL_01_010545,Cc1cccc(c1)C(C(N)C(C)C)Cc2cc(N)nc(c23)cccc3 -MOL_01_010546,CC1CCC(CC1)c2nc(O)c(CN)c(n2)-c3ccc(F)cc3 -MOL_01_010547,c1ccccc1CCN(N)C(=O)c2c(cccc2C)OCC(=O)NC(CO)Cc3ccccc3 -MOL_01_010548,NC(O)C(C1O)=C2CCCc(c2c13)ccc3 -MOL_01_010549,C1CC1(N)CC(=C)N(CC23)CC(NCN2)C3Cc4ncnc(c4F)Cc5ccccc5F -MOL_01_010550,c1cccc(c12)nc(C)c(c2C)CC(=N)N(C)CC(=N)Cc3cccc(F)c3 -MOL_01_010551,CC(C)Cc(c(c1)C(=O)N)cc(c12)c(ncc2)CCC3CCC(=O)N3 -MOL_01_010552,CCc1c(O)ccc(c12)cc(N)c3c2ccc4c3c(C)cc(n4)N -MOL_01_010553,NC1(N)CN(C(=O)C1)c2ncc(cc2N)CCc3ccccc3 -MOL_01_010554,C1CCCC12CC3C(=CC2)C(CN)=C(N)C(CN)(CN)C3c4c(F)cccc4F -MOL_01_010555,CC1CCC(CC1)Cc2nccc(n2)-c3nnc(n34)cccc4 -MOL_01_010556,C1CCCC1C(=N)CCc2nc(nc(c23)CC(C)(C)OC3)-c4ccccc4 -MOL_01_010557,c1cncn1-c2ccc(cc2C(=C)O)C(=O)Nc3ccccc3CN -MOL_01_010558,Nc1cccc(c1)-c2cn(cn2)CC(=O)NCc3ccccc3 -MOL_01_010559,C1CC1Cc(nn2)n(c23)ccc(c3Cl)CCc4ccccn4 -MOL_01_010560,C=C(C)c1cc(CC)cc(c12)c(C(C)O)cc(n2)C(C)O -MOL_01_010561,C1COCCC1c2cc(OCC)c(cc2OCC)CC(=O)COc3cccc(c34)cccn4 -MOL_01_010562,CCCCCCCC(=O)CCC1CC(=O)NC1Cc2ccccc2 -MOL_01_010563,CNc(c(F)c1)cc(c12)n3c(cnc3)c(n2)Cc4ccccc4C -MOL_01_010564,CCN(CC)C(N)C1CCCN(C1)c(n2)nc(C)c(c23)cc(CN)c(c3)CN -MOL_01_010565,c1ncnn1-c2ccc(cc2C(=C)O)C(=O)N(C)CC(=O)Nc3cccc(F)c3 -MOL_01_010566,CCC(=O)c1nnn(c1C(=O)CC)CC(=O)NC(=O)Nc2cccc(c2)CC -MOL_01_010567,C1C(C2)CC(C3)CC1CC23NC(=O)Cn4cnc(c4)-c5cc(cccc6)c6c(c57)cccc7 -MOL_01_010568,NCc1ccc(cc1)-n2cnc(c2)-c3ccccc3C(F)(F)F -MOL_01_010569,NOc1ccc(cc1)-c2nn(CCCN)cc2C(N)Cc3ccccc3Cl -MOL_01_010570,NOc1ccccc1-c2ccc(nn2)NCc(n3)cn(c34)CCC4 -MOL_01_010571,NCc1ccc(cc1)-n2c(CN)nnc2Cn3c(O)cc(c34)cccc4 -MOL_01_010572,CCc1ccnc(c1)CC2CCC(C)N(C2)C(=C)c3ccccc3-n4nccn4 -MOL_01_010573,C1CCCC1n2ccnc2C(c3ccc(cc3)CN)N4CCC(CC4)Cc5ccccc5 -MOL_01_010574,Fc1ccc(cc1)C(N)Nc2cc(C(N)CCC)c(cc2N)-c3ccccc3 -MOL_01_010575,NCc1cc(ccc1)CC(=C)CCc2nnc(n2CNCN)-c3ccccc3 -MOL_01_010576,Nc(n1)nc(N)c(c12)Cc3c(ccc(Cl)c3)N2c4cccc(Cl)c4 -MOL_01_010577,c1cc(Cl)cc(c12)nc(C)c3n2cc(n3)C(O)CCC(O)CN -MOL_01_010578,CCC(=C)C(C12)=C(CC(CC1)N2C)c3ccc(N)cc3N -MOL_01_010579,NCC(=O)c1cccc(c1)CCC(=O)CC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_010580,NCc1ccc(cc1)NC(=O)CCc2cccc(c23)C(=O)NCC3 -MOL_01_010581,C1CC(C)(C)C=C2CN(C(O)CN)Cc(c2c13)c(cc3)CN -MOL_01_010582,CCCC(=O)CC(CC(F)(F)F)C(=O)c1nc(C)n(c12)cccc2 -MOL_01_010583,CC(C)C1CCC(=O)N1c2ccnc(n2)NC(C)C3CCCC3 -MOL_01_010584,Cc1ccc(C)c(c1)N2CCN(CC2)C(O)CCCc(c3)ccc(c34)N(C)C(C4)O -MOL_01_010585,Cc1cc(C)c(cc1C)C(=O)CCC(=NC(N)=C2CN)C(C(=O)N)C23CCCCC3 -MOL_01_010586,CC(=O)c1ccccc1CCC(O)Cn2c(CO)nc(c23)cccc3 -MOL_01_010587,C=C(O)c1ccc(cc1)CCC(=O)CCc2cc(C)nc(c23)cccc3 -MOL_01_010588,O=C(N=1)C=c(c12)c(ccc2O)C(O)CNCCc3cccc(c3)CNCc4ccccc4F -MOL_01_010589,Cn1ccc(c12)cc(cc2)NC(O)N3CCN(CC3)c4ccccn4 -MOL_01_010590,C1OC1CCc2nc(C)c(CN)c(n2)-c3ccco3 -MOL_01_010591,CCC(=O)c1ccc(N2CCN(C)CC2)c(c1)NC(=O)CCc3ccccc3Cl -MOL_01_010592,FC(F)(F)c(c1)ccc(c12)nc(n2CN)C(N)CCc3ccc(F)cc3 -MOL_01_010593,NCc(c1)c(CN)cc(c12)ncc(CN)c2Nc3cccc(Cl)c3 -MOL_01_010594,c1cccc(c12)ncn(c2=O)CC(CC)NC(=O)Nc3ccccc3CN -MOL_01_010595,Cc1nccn1CC(C)N(C=N2)C(=C)c(c23)cc4c(c3)C(=C)N(C=N4)C5CC5 -MOL_01_010596,NCNc(ccc1)c(c12)nc(cc2C)C(=O)Nc3ccc(Cl)cc3Cl -MOL_01_010597,CCCCc1nc(nc(c12)n(C)nc2)CCc3ccccc3 -MOL_01_010598,C1CCCc(c12)c(nn2CC)-c3ccc(N)cc3 -MOL_01_010599,OCCCCCn1c(cc(c12)cccc2)C(N)CC34CC5CC(C3)CC(C5)C4 -MOL_01_010600,NC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CCCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_010601,CCc1ccc(nc1)CCc2cnn(c(=O)c2)CC(=O)c3ccc(C(C)NC)cc3C -MOL_01_010602,N1=NC(C)=C(C1=2)C(CCC(N2)=O)c3ccc(C)cc3 -MOL_01_010603,CCCC(=N)c1nn(-c2cccc(C)c2)cc1C(=N)c3ccccc3 -MOL_01_010604,C=C(O)c1ccc(cc1)-n2cnc(c2)C(O)NCCN3CCN(CC3)c4cccc(Cl)c4Cl -MOL_01_010605,Clc1cc(Cl)ccc1C(=O)NCC2(CC3CC3)C(C24)CN(C4)Cc5ccccn5 -MOL_01_010606,C=C(O)c1cccc(c12)C(O)C(=C(Cl)C2O)Cc3ccc(C)cc3 -MOL_01_010607,CCc1cn(C)c(c1Cl)C(=O)NCc2cccnc2 -MOL_01_010608,CC(=O)Nc1ccc(cc1C)-c(n2)cc(c23)ccn(c3)O -MOL_01_010609,Clc1cccc(Cl)c1C(=O)CCC2CC(=O)NC2CN3CCN(CC3)c4ccccc4 -MOL_01_010610,FC(F)(F)c(c1)ccc(c12)nc(n2CN)C(N)CCc3ccncc3 -MOL_01_010611,Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)c3ccc(cc3)NC(C4)=NC(C45)CCC5 -MOL_01_010612,Cc1ccccc1C(=O)Nc2ccccc2CCc(n3)cc(=O)n(c34)cccc4 -MOL_01_010613,CCc1ccc(cc1)C2C(CN)=C(N)CC(=C23)CC(CC3=N)c4cccc(c45)cccc5 -MOL_01_010614,CCCc1cc(nc(n1)CC)-n2ccc(Cl)c(Cl)c2=O -MOL_01_010615,FC(F)(F)C(=C)NCCNC(=C)c(c1C)ncc(c12)C(=C)N(C=C2)Cc3ccccc3 -MOL_01_010616,C1CCC12c3c(N=C2N)cc(c(c3)CN)CCCCN4CCCC4 -MOL_01_010617,NC(N)Cn1c(C)nc(c12)ccc(c2)CC(=O)c3ccc(F)cc3 -MOL_01_010618,NCc1cc(ncn1)N(C2)CC(CCC3)C23C(=O)CCc4ccccn4 -MOL_01_010619,c1cccc(c12)CCN2C(=N)CN3C(=N)N(CC3)Cc4ccc(Cl)cc4 -MOL_01_010620,c1cccnc1CC(N)Cn2c(N)cc(c23)cc(cc3)C(N)c4ccccc4Cl -MOL_01_010621,C=C(O)c1c(C)nn(c1C)Cc2cccc(c2)C(=O)Nc3ccn(n3)Cc4ccccc4 -MOL_01_010622,CCCC(O)c(n1)cn(c12)c3c(nc2C)cc(Cl)cc3Cl -MOL_01_010623,NCc1ccc(cc1)CN2COc(c23)cccc3-c4ccc(CN)cc4 -MOL_01_010624,C1COCCN1c2cc(OCC)c(cc2OCC)CCC(O)N3CCN(CC3)Cc4ccccc4 -MOL_01_010625,CC1CCN(CC1)Cc2nnc(n23)CCC(=C3)c4cccc(c4)CN -MOL_01_010626,Cn1cccc1Cc2nnc(n2CCCN)CCC(=O)CCc(c3)ccc(c34)CNC4 -MOL_01_010627,C=C(C)c(n1)cn(c12)CN(NC2)CNNNc3ccc(C(F)(F)F)nc3 -MOL_01_010628,CC1CN=CCc(c12)n(cn2)CNc3cc(C(=O)CN)ccc3CN -MOL_01_010629,Cc1ccc(cc1)Nc(n2)ncc(c23)NCc4c3ccc(c4)CN -MOL_01_010630,c1cccc(c12)C(C)(C(N)(N)N)c3c2ccc(c3)N4CCNCC4 -MOL_01_010631,Cc1cc(O)nc(c12)C(O)c3c(C2O)cccc3 -MOL_01_010632,FC(F)(F)C(C1)C(C(=O)C)=Cc(c12)cc(Cl)cc2-c3ccc(N)cc3 -MOL_01_010633,C=C(C)c(c1)ccc(c12)ncc(c2C)C(=C)CC3OOOOO3 -MOL_01_010634,Cc1ccnc(n12)nc(n2)C(=O)CCC(=O)c3ccc(Cl)cc3 -MOL_01_010635,c1ccccc1-c2nnc(O)n2-c3ccncc3 -MOL_01_010636,NCC(=C)C(N)CC(=C)c1nc(C2CC2)n(n1)-c3ccccc3Cl -MOL_01_010637,C1CN(C)C(=O)C1(C)CCc2cccc(c2)-c3ccc(N)c(n3)C(=O)N -MOL_01_010638,NC(N)(C1)CCc(c12)ccc3c2C(=O)C(=O)N=N3 -MOL_01_010639,NCc1ccc(cc1)NC(C2N)=C(C(N)c(c23)cccc3)N4CCCCC4 -MOL_01_010640,CCCC(C(C)=C1)=C(C1=2)C(=O)N=C(N2)c3cccc(C)c3C -MOL_01_010641,CCc1ccc(cc1)-n2ncc(c23)C(CC(C)C)CCC(=O)N3 -MOL_01_010642,NCc(c1)c(CN)cc(c12)N(C)C(=CC2=C)c3ccccc3 -MOL_01_010643,CCCC(N)C(C1)=C(C(N)CCC)c(c12)ccc(CN)c2CN -MOL_01_010644,Cn1c(C)nc(c12)c(nc(n2)C)Cc3ccc(CN)cc3 -MOL_01_010645,n1cccc(c12)c(ccc2C)CCc3ccc(N)cc3N -MOL_01_010646,c1ccc(CO)c(c12)ncc(C(=N)CCC)c2Cc3ccccc3C -MOL_01_010647,CC(C)(C)CC(=N)NC(C(=N)CC(C)(C)C)c(c1)ccc(c12)cccc2 -MOL_01_010648,Cc1ccc(c(C)c1)CN(C(N)C(C)(C)N2C(C)N)c(c23)cccc3 -MOL_01_010649,CCc1cccc(c1)-c2cc(C(N)(N)N)c(CN)c(n2)C -MOL_01_010650,OC1CCCN1c2cc(ccc2CN)Nc3ncccc3CN -MOL_01_010651,c1ccccc1CNC(CCN)CCc2cccc(c23)cncc3 -MOL_01_010652,NC(=O)CC(C)(C)NC(CC)c1ccc(C)c(c1C)C(=O)c2ccc(N)nc2 -MOL_01_010653,Cc(c1)cc(C)c(c12)OCCCCOc3ccc(cc3Cl)CC(NC2=N)C(=N)NC4(CN)CC4 -MOL_01_010654,c1ccccc1CCNC(=N)c(c2)ccc(n23)nc4c(c3=N)ccc(Cl)c4 -MOL_01_010655,Cc(n1)ccc(c12)c3c(cn2)C(=O)CCCC3C -MOL_01_010656,CC1(C)N(C)C(N)N(CC1)c2ccc(cn2)CCc3cc(F)ccc3F -MOL_01_010657,CCCC(O)CCc(c1)ccc(c12)c(CN)c3n2cccc3 -MOL_01_010658,COc1ccccc1C(N2CCC(C(=O)N)CC2)c3nccn3Cc4ccccc4 -MOL_01_010659,CN(C)Cc1ccc(cc1)C2CCCCN2C(N)c3cc(N)nc(n3)N -MOL_01_010660,CCc1cc(N)c(Cl)cc1C(=O)NCC2CCN(CC2)CCCn3ccnc3C -MOL_01_010661,CCC(=O)Cc1c(CC)cc2ccnc(c2c13)N=CC3C -MOL_01_010662,NCc(c1)c(CN)cc(c12)ncc(F)c2Cc(c3)ccc(c34)c(ccc4)C(=O)Nc5ccc(Cl)cc5 -MOL_01_010663,Cc1ccc(cc1)N2CC(CC2=N)C(=N)N3CCCc(c34)cccc4 -MOL_01_010664,Fc(c1)ccc(c12)CC(N)CC2(C(F)(N)N)CCc3ccccc3 -MOL_01_010665,NCc1cccc(c1)C(=O)NCC(=O)CCc2ccc(Cl)cc2Cl -MOL_01_010666,Clc(c1)cccc1C2(C(CC(=O)C2)c(cc3Cl)ccc3)Cn4cncn4 -MOL_01_010667,CCC(N)N1CCc(c12)cc(cc2)CCCC(N)NCc(c3)ccc(c34)OCO4 -MOL_01_010668,CCCn1cc(cn1)-c2cnc(C)c(c2)C(=O)Cc3ccncc3 -MOL_01_010669,CCCc1ccn(c1C)Cc2ccc(nc2)C(N)c3ccccc3C(C)N -MOL_01_010670,Cc1cccc(n1)NC(O)c2cccc(c23)c(O)c4c(n3)cccc4 -MOL_01_010671,CNC(=O)CCC1=C(C)CCC(=C1)Nc2ncc(C)c(n2)Nc3ccc(CN)c(Cl)c3 -MOL_01_010672,NC1CCCCC1n2cnc(c23)cccc3 -MOL_01_010673,CC1=CC=C(C1=2)C=C(C2C)c3ccnc(n3)CCC(=N)NCc4ccccc4 -MOL_01_010674,C=C(O)c1ccc(nc1)Cc2cccc(c2)CCN -MOL_01_010675,Cc1cc(O)cc(C)c1CC(N)C(=N)N(Cc(c23)cccc3)C(C2)CNC(=N)Nc4ccccc4 -MOL_01_010676,Cc1ccccc1Nn2cc(c(c23)[nH][nH][nH][nH]3)-c4ccccc4 -MOL_01_010677,CC1CCCN1CCN(C2=O)CCc(c23)cc(cc3)Cc4ccc(cn4)CN -MOL_01_010678,c1cccc(c12)c(nn(C)c2=N)-c3ccc(cc3)CCCN4CCCCC4 -MOL_01_010679,C1CCCN1C(=C)c2cc(c(CN)c(n2)N)-c3ccc(C)cc3 -MOL_01_010680,Fc1cc(F)ccc1-c2ccc(CC(=O)C)c(c2)C(=O)NCc3ccccc3 -MOL_01_010681,c1ccccc1-c2n(C)c(c(n2)N)CC(=N)NCc3ccc(F)cc3Cl -MOL_01_010682,C1CCCCN1C2=C(Cl)C(O)N(C2O)c3ccnc(Cl)c3 -MOL_01_010683,C=[N+]([O-])c(n1)cn(c12)CC(CC2)CC(C)c3ccc(cc3)-c4ccc(F)cc4 -MOL_01_010684,CCCC(=O)c(n1)cc(n12)c3c(nc2C)ccc(Cl)c3 -MOL_01_010685,C=C(C)c1ccc(cc1)CN(C(=O)C23OOOO2)C(=N3)OOOC -MOL_01_010686,c1ccccc1CC(N)c2cc(ncn2)-c3ccc(Cl)c(Cl)c3 -MOL_01_010687,Cc1cc(=N)n2c(C)cc(c2c13)c(cc3)CCCCCNCCN(C)C -MOL_01_010688,O1CCOC12CCC(CC2)C(N)c(n3)ccc(c34)cc(cc4)Oc5ccc(C(F)(F)F)cn5 -MOL_01_010689,C1CCCCC1c2c(N)c(nn2C)C(=N)Cc3cccc(n3)N -MOL_01_010690,Cc1ccc(cn1)CCc2c(ccnc2C)-c3ccc(nc3)C(N)N4CCCCC4 -MOL_01_010691,n1ccnc(c12)Cc3c(N2C)ccc(c3)ON -MOL_01_010692,NCC(=C)c1ccccc1NC(=C)CN(C(=C)N2)C(=C)C23CCCCCCC3 -MOL_01_010693,CCn1cc(C(C)O)c(O)c(c12)ccc3c2cc(c3)C -MOL_01_010694,CNC(=O)C(=O)C(C)NC(=O)c1ccc(c(C(F)(F)F)c1Cl)CCc2ccccn2 -MOL_01_010695,CCn1cnc(c12)c(C)nc(n2)CCCCc3ccccc3 -MOL_01_010696,CCC(=O)c(nc1)cc(c12)ccc(c2)CCCC(=O)Cc3cc(C)c(Cl)cc3CN -MOL_01_010697,Cc1cccc(c1C)NC(O)CN2CCN(CC2)C(O)c3ccc(cc3)CCc(n4)cn(c45)cccc5 -MOL_01_010698,CC(C)(C)c1ccc(cc1)CC(=N)N(CC2)C2(C)C(=N)Nc3cccc(c34)cccn4 -MOL_01_010699,N=C(N)C(C)c(c1)ccc(c12)ccc3c(c2=N)cc(cn3)-c4cnn(C)c4 -MOL_01_010700,Cc1cccc(c1C)NC(=N)CC(c2ccc(ON)cc2)N(C3=N)Cc(c34)cccc4 -MOL_01_010701,Cn1cc(cn1)CC(C2)CCOc(c23)ccc(c3)C(O)C4CCCCC4 -MOL_01_010702,CCOc1ccc(cc1)C(=O)CCC(=O)C2CCC(CC2)c3ccccc3O -MOL_01_010703,COc1cccc(c1C)C(N)CC2(CCC2)C(N)c3cc(C)cc(C)c3 -MOL_01_010704,Fc1ccc(cc1)CC(=O)c2c(=O)n(C)c(nc2)CCC(=O)CCc(c3)ccc(c34)CCC4 -MOL_01_010705,CCOc1ccc(cc1)Cc2ncnc(c23)n(nc3)-c4ccc(F)cc4 -MOL_01_010706,CN1CNNC1Nc2cn(c(c23)cccc3)Cc4cccc(Cl)c4 -MOL_01_010707,C1CCCC1N2C(=O)N(C(=O)C2=O)CC(=O)Cc3ccccc3CC(F)F -MOL_01_010708,c1cccc(c12)c(=C)n(c2=C)CCCCN3CCN(CC3)c4cc(CN)ccc4CN -MOL_01_010709,NOc1ccccc1N(C2=NCC(C2)C)C(=O)NCc3ccccc3 -MOL_01_010710,Cc1ccc(cc1Cl)Nc2c(CN)cnc(c23)cc(CN)c(c3)CN -MOL_01_010711,c1ccccc1CCc2n(CN)c(nn2)-c3cccnc3 -MOL_01_010712,CC(C)(C)CC(=O)CNC(C(C)C(C)(C)C1)c(c12)cc(cc2)CN -MOL_01_010713,CC(C)CNC1CN(C)CC1c2ccc(cc2)-c3cccc(c3)CN -MOL_01_010714,NCCCC(N)c1nc(N)c(CC)c(c1)-c2ccc(Cl)cc2Cl -MOL_01_010715,NCc1ccccc1CN(C(=O)CF)c2cccnc2Cc3ccccc3 -MOL_01_010716,CCCCC1=NN=C2C(=O)CC(=O)C(N2N13)=NN=N3 -MOL_01_010717,CC(C)CCc1c(O)cc(O)c(c12)C(O)C(O2)Cc3ccc(O)cc3O -MOL_01_010718,CCCCC(C1C)=C(N)C(C)c(c12)c(N)c(N)c(N)c2N -MOL_01_010719,c1ccccc1CC2C(NC)Cc(c23)cc(F)c(c3)CNCc4cn(C)cn4 -MOL_01_010720,NOc1cc(cc(c1)ON)Cc2ncnc(c23)c(ccc3)CC(O)Cc4cc(Cl)cc(Cl)c4 -MOL_01_010721,CC1CCC(CC1)NC(=O)CCCc(c2)ccc(c23)CC(C)C(=O)N3 -MOL_01_010722,CCc1ccc(cc1)-c2cc(C(=O)C)nc(c23)cc(cc3)Cn4c(=O)[nH][nH]c4=O -MOL_01_010723,c1ccccc1C2NC(CC)(CCCC)CCc(c23)cc(CC=O)c(c3)ON -MOL_01_010724,Cc1cnn(c1)C2CCCN(C2)C(N)c3cn(cn3)-c4ccccc4 -MOL_01_010725,Cc1ccccc1-n2cc(cc(CN)c2=N)C(=N)c3cc(Cl)ccc3O -MOL_01_010726,NOc1ccc(cc1)Cc2cc(-c3cccc(O)c3)nc(n2)C4CCOCC4 -MOL_01_010727,c1ccccc1Cc2c(C)cnc(c23)c(cc(c3)CN)N4CCNCC4 -MOL_01_010728,Nc1c(N)cccc1C(C)Cn2c(N)nc(c23)cccn3 -MOL_01_010729,FC(F)Cc1ccc(cc1)NC(=C)CN(C(=C)N2)C(=C)C2(N)c3ccc(CC(F)F)cc3 -MOL_01_010730,N1=NN=NN(N12)C(N)=C(C)C=C2c3nnnc(n3)C -MOL_01_010731,Cc1cnccc1-c(c2)ccc(c23)cc(nc3)CC(=N)C4CC4 -MOL_01_010732,C1CCCCC1c(c(c23)cnn2C)nc(n3)C4CCCC4 -MOL_01_010733,c1cccc(c12)n(CC)c3c2cc(cc3)C(C)c4cc(CN)c(CN)c(c4)CN -MOL_01_010734,NCc1ncc(cc1)-n2c(nnc2C)N3CC(C3)Cc4ccccc4 -MOL_01_010735,n1nnnc(C2)c1CC23C(=N)c4c(C3)nnc5c4CCCC5 -MOL_01_010736,c1ccccc1C(c(c23)cccc3)=NC(C(=C)N2CC=C)NC(=C)CCNC(=C)CC(N)(N)N -MOL_01_010737,NCc1cccc(c12)c(=N)cc(C)n2CC(=N)Nc3ccc(CN)cc3 -MOL_01_010738,Cc1ccccc1C(N)Cc2cccc(c2)OCc(n3)cc(N)n(c34)c(C)cc4 -MOL_01_010739,Clc1cc(C(N)(N)N)cnc1C(C(C)=N)c2ccc(Cl)cc2Cl -MOL_01_010740,NCc1cccc(c1)N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_010741,n1cncc(c12)C(O)C(=CC2O)Nc3ccc(Cl)cc3 -MOL_01_010742,NC(N)c(cc1)cc(c12)ccc(c2)-c3ccc(NC)c(c3)C45CC6CC(C4)CC(C6)C5 -MOL_01_010743,CCc1ccc(cc1)NC(=O)Cn2c(nc(c23)ccnc3)CCc4ccc(C)cc4 -MOL_01_010744,c1cncn1-c2cc(C)c(cn2)C(C)CN3CCN(CC3)CC(C)c(c4C)ccc(c45)C(=O)CC5 -MOL_01_010745,CCCc1ccc(Cl)cc1CC2CNC(=O)CN(C2=O)Cc3ccc(Cl)cc3 -MOL_01_010746,NC(N)NCC(=O)C(C1)Cc(cccc2)c2n(c13)cnc3 -MOL_01_010747,c1cccc(c12)CN(C(C)=N)C(C2)C(=N)N3CCN(CC3)c4ccccc4 -MOL_01_010748,c1cccc(c12)C(=N)N(C2N)Cc3cccc(c3)-c4ccc(cc4)-c5cc(N)cc(c5)N6CCOCC6 -MOL_01_010749,c1cncn1CCNc2ccc(c3c24)n(CCN(C)C)nc3c5c(c4=C)ccnc5 -MOL_01_010750,C=C(C)NCCC(=C)c(c1C)nc(CN)c(c12)ccc(c2)Cc3c(N)cccc3N -MOL_01_010751,Nc1cc(N)ccc1-n(cn2)c(=N)c(c23)cccc3 -MOL_01_010752,Clc1c(C)cc(n1CC)C2CCCN(C2)Cc3cc(CN)cc(c3)CN -MOL_01_010753,NCCCCc(c(c1)CN)cc(c12)nncc2Nc3ccc(Cl)cc3F -MOL_01_010754,CCc1cc(CC)cc(c1)CC(C2O)=CC(O)c(c23)ncnc3 -MOL_01_010755,Cc(n1)ccc(c12)cc(cc2)C(N)C3CCC(CC3)C(N)C(C)C -MOL_01_010756,Clc(c1)ccc(c12)NC(N)C=NC2(CN)c3ccccc3 -MOL_01_010757,COc1cccc(c1)C(C)CC(=N)c2ccc(cc2)-c3ccncn3 -MOL_01_010758,COc1ccc(OC)c(c1)CC(=O)C2(C)CCN2Cc3cccc(c3F)OC -MOL_01_010759,CC(=O)c1ccc(cc1)C(C)NC(=O)c2cc(Cl)cnc2Cc3ccc(Cl)cc3 -MOL_01_010760,Nc1cc(N)n(n1)-c2ccc(nc2)C(CC3)CCC34CNNC4 -MOL_01_010761,c1ccccc1Cn2ccnc2C(N3CCCN(CC3)C4CCC4)c5ccc(cc5)Oc6ncccn6 -MOL_01_010762,CCC(O)C(O)Cc(c1C)c(C)nc(c12)cccc2 -MOL_01_010763,CCc1ccc(CN)cc1NC(=O)Nc2ccc(cc2Cl)C3CCCNC3 -MOL_01_010764,c1ccnc(c12)CCC2CC(N)Cc3c(C(N)(N)N)ccc(Cl)c3Cl -MOL_01_010765,Cc1cc(C)n(n1)-c2ccc(cc2)C(O)Nc(c(c3)C(C)O)cc(c34)CCC4 -MOL_01_010766,CCc1nn(C)c(c1C)CONCc2c(C)nn(C)c2Oc3ccccc3C -MOL_01_010767,C1CCc(c12)ccc(c2)CNC(=C)CC3CCCCN3c4nccc(n4)-n5ccnc5 -MOL_01_010768,Cc1ccc(cc1)-c(c2)ccc(c23)NCC4N(C3N)CCC4 -MOL_01_010769,CCCCc1cccc(c12)ccc(n2)Cc3cncc(c34)cc(CN)c(c4)CN -MOL_01_010770,CCCC(=O)CCn(c1=O)ccc(n12)c(nc2)C(=O)C -MOL_01_010771,N=C1CCCC(=C12)CC(N)=C(CN)C2c3ccc(cc3)CC(=N)N4CCCCC4 -MOL_01_010772,Cc1ccc(cc1)C(O)c(n(n2)CCC(C)O)c(c23)ccc(c3)C -MOL_01_010773,CCCCn1ccc(c(c1=O)CN)-c2ccc(cc2F)Cc3ccnc(C)c3 -MOL_01_010774,Cc1ccc(cc1)CCC(C)CNc2nccc(c23)C(C)(C)CC3N -MOL_01_010775,CCOC(=O)Cc1ccc(n12)CC(C2=O)Cc3cccc(C)c3C -MOL_01_010776,c1cccc(c12)nc(C)c3n2cnc3C(O)NCCCCCNC(O)CC(C)(C)C -MOL_01_010777,c1ccccc1Oc2ccc(cc2)C3(C(O)NC(O)NC3O)N4CCCN(CC4)Cc5ccccc5 -MOL_01_010778,c1ccc(C(C)(C)C)c(c12)ncc(c2C)C(=O)Nc3ncccn3 -MOL_01_010779,Cc1nn(C)cc1C2CC(N)Cc(c23)n(nc3)C(C)(C)C -MOL_01_010780,Cc1cccc(n1)CC(=O)CCc2cc(=O)n(C)c(c23)cccc3 -MOL_01_010781,Nc1cnc(cn1)-c2ccc(cc2CC)-c3ccccc3CNC(C)(C)C -MOL_01_010782,C1NCc(c12)cc(N)c(c2)-n3ccc(c34)cccn4 -MOL_01_010783,NCc1cnccc1-c2nccc(c23)cc(cc3)CNc4ccncn4 -MOL_01_010784,c1ccccc1C(NC(C)=N)C2CCCN(C2)CCNC(=N)c3c(C)cccc3C -MOL_01_010785,FC(F)(F)c(cc1)cc(c12)c(=N)c(cn2CC)C(=N)NCc3ccc(C)cc3 -MOL_01_010786,CCc(c1)c(CC)cc(c12)ncnc2CC3NC3c4ccccc4 -MOL_01_010787,OC(N1)CCc(c12)cc(c(Cl)c2)CCCC(O)N3CCN(CC3)c4ccccc4F -MOL_01_010788,Nc1cnc(cn1)-c2ccc(cc2F)-c3ccccc3Cc4ccnc(n4)N -MOL_01_010789,Cc1cc(nc(n1)C)-c2ccc(cc2)CCCCN -MOL_01_010790,Cc1ccc(cc1)C2CN(C(N)N)CC2C(=C)N3CCN(CC3)c4ccccc4CN -MOL_01_010791,Nc1nc(C)cc(n12)nnc2CCC(=O)N3CCCCCC3 -MOL_01_010792,Cc1ccc(cc1)CCN(C(=N)c(c23)cccc3)C2C(=N)NCc4cccnc4 -MOL_01_010793,Cc1ccc(C)c(c1)N2CCN(CC2)C(N)c3cc(cn3C)CN4CCCC4 -MOL_01_010794,Cc1ccc(C(C)N)c(c12)ccc(n2)C(N)CCc3ccccc3 -MOL_01_010795,CCCC(=O)c(n1)cn(c12)nc(cc2)Cc3cccc(F)c3 -MOL_01_010796,c1ccccc1CCC(N)c2cc(F)ccc2OCC3CO3 -MOL_01_010797,CN(C)c(c1)ccc(c12)C(C(=C(C2)N)CN)c(c3)cc(CN)c(c34)CCC4 -MOL_01_010798,C=1C=CC(C12)=NC(=O)N(C2=O)CCCC(=O)N3CCN(CC3)Cc(c4)ccc(c45)CCC5 -MOL_01_010799,CCn1c(CN)nnc1-c2ccc(cc2)CN3CCCCC3 -MOL_01_010800,CCc1ncnc(-c2ccnc(C)c2)c1CCc3ccc(N)nc3 -MOL_01_010801,FC(F)(F)C1(C)CC(CC(C)C)=NN1C(=O)C(=O)Nc2ccccc2CN -MOL_01_010802,CC(N)Oc(c1)ccc(c12)C(C(C)(C)N=C2C)Cc3ccc(F)cc3 -MOL_01_010803,CCCCN(C1=O)C(=O)N=C(C1=2)C=C(C2)c3ccccc3 -MOL_01_010804,CC(=O)c1cccc(n1)C(=O)NC(C(=O)C)Cc2ccccc2 -MOL_01_010805,FC(F)(F)c1cnc(nc1NC)Nc2ccn(c23)CCN3C -MOL_01_010806,NOc(cc1)cc(c12)c(cc(n2)C)-n3cnc(c3)CN(C)CCN(C)C -MOL_01_010807,CCCc1cc(O)nc(n1)-n2nc(C)cc2CC(N)c3ccc(Cl)cc3 -MOL_01_010808,C1CC1N(C(N)CO2)CC23CCN(CC3)Cc4ccc(cc4)-c5cccc(c56)cncc6 -MOL_01_010809,c1cccc(c12)CC(C)C2Cc(c3)ccc(c34)n(C)c(=O)c(=O)n4C -MOL_01_010810,NCCCC(C)Nc1cc(CN)c(c(c12)ccc(n2)C)Cc3ccc(Cl)cc3 -MOL_01_010811,c1cc(Cl)cc(c12)nc(C)c(c2C)C(O)c3cccnc3 -MOL_01_010812,CC(C)C(N)C(=O)CC(C(=O)N1)Cc(c12)c(ccc2)N(C)CCCCCC(C)(C)C -MOL_01_010813,C1CCCC1CC(C2N)C(N)N3c(cccc4)c4c(c5N23)cccc5 -MOL_01_010814,Nc1cnc(cn1)-c2ccc(cc2F)-c3cccnc3CC4CCNC4 -MOL_01_010815,c1ccc(N)c(N=C2C)c1C(C23N)CCC3 -MOL_01_010816,Cc1ccc(cc1)NC(C2N)=C(C(N)c(c23)cccc3)N4CCCCC4 -MOL_01_010817,Cc1ccccc1-n2cnc(c2)C3=CCN(CC3)C(O)CC(C)(C)C -MOL_01_010818,N=C(O)c1ccc(cc1)-n2ncc(c2C3CC3)C(=N)CC(C45)C6CC(C4)CC(C5)C6 -MOL_01_010819,Clc1ccccc1NC(=O)CCCCCCn2cnc(c2)-c3cccnc3 -MOL_01_010820,NOc1cc(ccc1O)-c(c2)ccc(c23)ncnc3Cc4ccc(Cl)c(O)c4 -MOL_01_010821,NCc1cccc(c1)-c2cn(cn2)C(CC34)C(CC3)CC4 -MOL_01_010822,c1cccc(c12)C(N)(C(N)(N)N)c3c2ccc(c3)OCC4CC4 -MOL_01_010823,NCC1(CC1)n2cnc(c2)C(C3CCCCC3)CC(N)C4CCOCC4 -MOL_01_010824,CCCc1ccc(cc1CO)NC(C)c2nccn2-c3ccccc3 -MOL_01_010825,CCN(CC)C(=O)Cc1cn(cn1)CNc2ccnc(c23)cc(Cl)cc3 -MOL_01_010826,Fc1cc(ccc1)C2OC(=O)CC2c3cncc(c3)CCC4CC(O)C4 -MOL_01_010827,c1cccc(c12)c(nnc2N)Cc3ccc(F)c(c3)C(N)N4CCCNCC4 -MOL_01_010828,c1cccc(c12)ncn2C(=N)N3CCN(CC3)Cc4cccc(c4)-c5ccccc5 -MOL_01_010829,CCOC(N)C1(CC2CC2)CCC(CC1)C(N)c3cc(C4CC4)nc(c35)cccc5 -MOL_01_010830,Cc(n1)nc(C)c(c12)ccn2-c3ccccc3CN -MOL_01_010831,CCc1ccc(C)cc1CC(N)C2CCCn(c23)nc(c3)C -MOL_01_010832,c1cncn1-c2cc(CN)c(CN)cc2C(=O)Cc3cc(Cl)ccc3N -MOL_01_010833,CC1CN(CC1)C(=C)c2ccccc2-c3ccc(c(C)c3)-c4cnc(N)cn4 -MOL_01_010834,CC(O)CC(C)Cc1c(CC)c(C(=C)O)cc(c12)nc(C)c(n2)C -MOL_01_010835,c1ccccc1CCN(C)C2CCN(CC2)C(=N)C3CC(=N)Nc(c34)cccc4 -MOL_01_010836,C1CCCC1CNC(=C)C(C2=C)=CN=C(N23)C=CC(=C3)c4ccc(CN)cc4 -MOL_01_010837,CC(C)(C)Cc1c(c(=O)c1=O)Cc2ccnc(n2)Cc(c3)ccc(c34)OCC4 -MOL_01_010838,CC(=O)c1ncccc1C(=O)Nc2cccc(c2C)C(=O)CN -MOL_01_010839,CC(C)CC(=C)NCCc(c(n1)C)cc(c12)c(CN)ccc2CN -MOL_01_010840,Cc1cccc(c1)N2C(=O)C(C(=O)NC2C)Cc3ccc(o3)C -MOL_01_010841,NCc1cccc(c1)Nc(c(n2)N)cc(c23)cc(cc3)NC(N)N4CCCC4 -MOL_01_010842,c1cccc(c12)ncn(c2=O)CC(CC)NC(=O)Nc3ccccc3Cl -MOL_01_010843,C1CCCC1C(=O)c2cc(C)ccc2Cc3ccnc(c34)cc(CN)c(c4)CN -MOL_01_010844,Cc1cc(C)c(cc1C)C(=O)CCC(=O)c2nn(C)c(=O)c(c23)cccc3 -MOL_01_010845,Nc1cccc(n1)CCc2ncn(c23)c4c(CC3)cccc4 -MOL_01_010846,NCc1ccc(CN)cc1NC(=C)CCNCc(c2)ccc(c23)N(C)C(=C)N(C)C3=C -MOL_01_010847,Cc(n1)nc(C)c(c12)nc(cc2)C(C)c3ccc(CN)c(c3)CN -MOL_01_010848,NC(N)CNc1cccc(c12)CC(CC2)CC3=NC(=NC3)C(c4ccccc4)c5ccccc5 -MOL_01_010849,CCCc1ccccc1Nc2ncccc2C(O)N3CCCC3 -MOL_01_010850,CCCC(=O)C(C)C1C(=O)CCc(c12)cc(F)c(c2)C(C3=O)C(=O)C(=C34)CCCC4 -MOL_01_010851,CC(N)Cn1ncc(c12)ccc3c2CCCC3 -MOL_01_010852,CCC(N)c1ccncc1C(N)Nc2ccc(cc2)Cc3ncc(C(F)(F)F)cc3Cl -MOL_01_010853,C1CCC1(C(C)N)Cc2ccnc(c23)ccc(c3)CCCN -MOL_01_010854,C1CNCC1NC(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_010855,COc1ccc(cc1OC)C2C=C(c3ccc(O)c(C)c3)C=C2C(N)c4ccncc4 -MOL_01_010856,c1ccncc1CN(C2O)CCC23CCCN(C3)c4ncc(F)cn4 -MOL_01_010857,CN1CCC(CC1)C(O)NC2CCC(CC2)CCN3CCN(CC3)c4cccc(c45)CCC5 -MOL_01_010858,Oc1ccc(cc1)C2N(CCOC)C(N)c(c23)cc4c(c3N)cc(C)c(c4)C -MOL_01_010859,c1cc(Cl)cc(c12)nc(nc2N)CCC(N)NC(CO)c3ccccc3 -MOL_01_010860,CC(=O)c1nnc(n12)c3c(cccc3)c(n2)Cc4ccc(F)cc4 -MOL_01_010861,NCc1ccccc1N2CCCC(C2=O)Nc3ncccn3 -MOL_01_010862,c1cccc(c12)cc(N)n2Cc3nnc(n3C)CCC(N)Cc4ccc(Cl)cc4 -MOL_01_010863,C=C(N)c1cccc(c12)ncc(N)c2CCCCC(C)C -MOL_01_010864,Clc1ccc(cc1)-c2nc(C)nc(c2)-c3ccc(C)c(c3)CN -MOL_01_010865,C1CCCC(C)=C1C(=O)Nc2cc(CN)c(cc2Cl)C(=O)NCCN3CCN(C)CC3 -MOL_01_010866,c1ccccc1Cn2nc(C(=C)O)cc2C(=O)Cc3ccc(CN)cc3C -MOL_01_010867,C=C1NC(=C)NC(=C)C1(N)CNC(=C)c2ccc(cc2)CCc3cc(N)nc(c34)cccc4 -MOL_01_010868,c1cnccc1-c2ccc(n2CC)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_010869,Fc1ccc(cc1)C(N)CCc2nc(N)c(CC)c(n2)Cc3c(F)cccc3F -MOL_01_010870,Fc1ccccc1C2CC(=N)N(C2=N)CN3CCN(CC3)c4cccc(C(F)(F)F)c4 -MOL_01_010871,CCCC1=C(C(N)CC)C(C(CN)=C(C)N1)c2ccccc2Cl -MOL_01_010872,c1cccc(c12)C(NC2=N)CCN3CCN(CC3)c4cc(N)ccn4 -MOL_01_010873,CCc1cc(CC)c(Cl)c(C2)c1C(=O)C23C(=O)CC(=O)CC3C -MOL_01_010874,NCc1cc(ccc1)CC(C)Cn2cc(cn2)Cc3ncnc(c34)cc(CN)c(c4)CN -MOL_01_010875,CCCn1c(N)nc(c12)C(O)c3c(C2O)nc(N)n3CCC -MOL_01_010876,CNC(=O)c1cccc(c1)Nc2cc(ccn2)N3CC(C3)Cc4ccc(Cl)cc4F -MOL_01_010877,CC(=O)CCC(C(=O)C)NC(=O)c(c1C)nc(Cl)c(c12)cccc2 -MOL_01_010878,c1ccccc1C2CC(=O)NC2c3cc(ccn3)CCc4ccccc4 -MOL_01_010879,Cc(n1)cc(C)n(c12)nc(c2)C(=O)Cc(c3)ccc(c34)CNC4 -MOL_01_010880,C1CCNCC1C(=O)N(C2CC2)C(C)c(c3)cc(c(c34)CCC4)CCCCCN -MOL_01_010881,CNc1ccc(cc1)C2(N)CCN(CC2)CCCC(CN)(c3ccccc3)c4ccccc4 -MOL_01_010882,Fc1cnc(nc1C)CC2CCN(CC2)c3cc(ncn3)Cc4ccccc4CN -MOL_01_010883,c1ccccc1C(C)NC(N)CCCc(n2)nc(N)c(c23)cccc3 -MOL_01_010884,n1cccc(c12)C(N)c3c(C2N)cc4n3cccc4 -MOL_01_010885,CCCCc1c(N)cc(N)c(c1C)C(CC)C(N)c2cccc(c2)NC -MOL_01_010886,C=C(N)c1ccc(CCN)c(c1)CN(C(=C)N2)C(=C)C23CCCCCCC3 -MOL_01_010887,C=1C=CC(C12)=NC(=O)N(C2=O)CCN3CCN(CC3)c4ccccc4Cl -MOL_01_010888,CCC(=O)N(C)C1c(cc(N)cc2)c2Cc(c13)nccc3 -MOL_01_010889,Cc1ccccc1-c2nc(ncc2C(C)(O)O)-c3ccccc3 -MOL_01_010890,NCc(n1)ccc(c12)ncc(C)c2CCN3CCC(CC3)NCc(c4)ccc(c45)CCC5 -MOL_01_010891,Cc1cc(ON)c(cc1Cl)C(N)CCC2CCN(C2)Cc3ccccc3 -MOL_01_010892,n1cccc(c12)cc(N)n2CC3CCC(CC3)c4ccccc4Cl -MOL_01_010893,Fc1ccc(cc1)-n2nc(cc2)C(=N)Nc3ccc(cc3F)C4CCCNC4 -MOL_01_010894,C1COCCC1c(cc2N)cc(c23)cc(cc3)-c(c4)ccc(c45)nccc5 -MOL_01_010895,C=c(c1)ccc(c12)cc=3c(C=CC3)c2CCc4cn(cn4)-c5ccc(CN)cc5 -MOL_01_010896,CC(N)CN1CCC(CC1)C(N)CCc2nn(C)c(c23)ccc(c3)N -MOL_01_010897,Cc1ccc(cc1)CCNc2ccc(cc2)C(N)c3ncc(CC(N)N)c(c34)cccc4 -MOL_01_010898,Cc1nn(C)c(C)c1NCc2c(F)cc(cc2F)-c3ccnc(c3)N4CCNCC4 -MOL_01_010899,Cc1nn(C)c(CC(N)C(F)(F)F)c1C(N)c2ccccc2F -MOL_01_010900,COC(N)c1c(F)cccc1-c2ccc(c(F)c2)CCc3cc(ccn3)C(N)C4CCOCC4 -MOL_01_010901,C1CC(C)(C)Cc(c12)c(CN)c(N)nc2C(C)C -MOL_01_010902,FC(F)(F)c(c1)c(C)cc(c12)n3c(c(n2)C)nc(c3)C(C)O -MOL_01_010903,NC(=O)CC(C)NC(CC)c1ccc(ON)c(c1C)C(=O)c2ccccc2 -MOL_01_010904,COc1ccc(cc1)CCn2c(C)cc(c2C)C(N)COC(N)c3cnc(C)cn3 -MOL_01_010905,Cc1ccc(C(C)O)c(c12)nc3c(c2O)cccc3 -MOL_01_010906,Cc1c(Cl)cc(cc1Cl)Nc2c(CN)cnc(c23)cc(CN)c(c3)CN -MOL_01_010907,Cc1ccc(cc1)OCC(N)Nc2ccc(cc2)C(N)OCc(n3)cc(N)n(c34)c(C)cc4 -MOL_01_010908,NCc1ccccc1NC(=C)c2cnn(c2N)-c3ccccc3CN -MOL_01_010909,c1cccc(c12)nc(n(c2=O)CNCOC)CCC(=O)Cc3ccc(C)cc3 -MOL_01_010910,CCn1c(O)nnc1CC2CCN(CC2)C(O)c3cc(C(C)C)nn3C -MOL_01_010911,Cc1cccc(c1C23C)CCC2CC(=O)C=C3CN -MOL_01_010912,Nc1ccccc1-c2nn(CCC)c(c2)NC(O)NC3CCC(C)CC3 -MOL_01_010913,CC(=O)c1nccc(n1)-c2ccc(Cl)c(c2)CCCN3CCCCC3 -MOL_01_010914,CC(C)(C)c1ccc(cc1)CNc2cccc(c23)C(O)N(C3O)c4cccnc4 -MOL_01_010915,Fc1cc(cc(F)c1)NC(N)CN(C2CCCC2)C(N)c3ccc(cc3)-c4ccccn4 -MOL_01_010916,CCCC(O)N1CCc(c12)ccc(c2)CC(O)CCC3CC3 -MOL_01_010917,C1CCCCC1N(C(N)CC)Cc2cc(c3n(c24)ccn4)ccc(c3)C -MOL_01_010918,NCCCCc1c(Cl)cc(cc1CCN)C(=O)N2CCN(CC2)CC(=O)N3CCCC3 -MOL_01_010919,O=C(O)c1cn(nn1)CC2CC(=O)N(C2)c(c3)ccc(c34)Cc5c(C4)cccc5 -MOL_01_010920,NOc1cccc(c1)-c(c2)ccc(c23)ncnc3Cc4ccccc4 -MOL_01_010921,C=C(O)c(c(Cl)c1)cc(c12)c3n(c(n2)C)cc(c3)C(C)O -MOL_01_010922,c1ccccc1C(C)NC(=N)N(CC2)C2(C(=N)ON)Cc3ccccc3 -MOL_01_010923,NC1CCNC(N)c(c12)n(cc2)-c3ccc(C(F)(F)F)cc3 -MOL_01_010924,Cc1ccccc1-c2ccc(cc2ON)C(C)CCc3c(C)nc(N)nc3N -MOL_01_010925,Fc(n1)nnc(c12)C(=CC2)c3nnnc(Cl)n3 -MOL_01_010926,c1cccc(c12)c(nn(c2=O)CCC)C(=O)CCC(=O)Cc3ccc(C)cc3 -MOL_01_010927,CCCC(O)Nc1cn(C)c(c12)nc3c(c2)cc(C)cc3 -MOL_01_010928,c1ccccc1C2=C(C(=O)C)C(C(=C(C2)C)CN)c3ccc(O)cc3 -MOL_01_010929,c1ccccc1Cc(c2N)c(N)cc(c23)nc(cc3N)-c4ccccc4 -MOL_01_010930,Cc1cccc(c1C)N2CCN(CC2)C(=N)c3cccc(c3)N4CCCC4=N -MOL_01_010931,CCc1ccccc1C(N)C2CCCN(C2)Cc3ccccc3CN -MOL_01_010932,NOc1ccc(cc1)Cc(c2=N)cn(c(c23)ccc(c3)ON)Cc4ccccc4 -MOL_01_010933,c1nccc(c12)c(C)c3c(n2)c(ccc3)C(N)CCCC(C)C -MOL_01_010934,NCc1c(CN)cc(cc1CN)-n2ncnc2-c3cccc(Cl)c3 -MOL_01_010935,CCc1ccc(cc1)N2C(C)=C(CCC2N)C(N)c3ccccc3 -MOL_01_010936,c1ccccc1-c2ccc(n2CC)CCC(N)N(CC3)CCC3(C(N)N)N4CCCCC4 -MOL_01_010937,n1cn(C)c(c12)ccc(c2)C(CC(=C)C)c3ccc(Cl)c(c3)CN(C)CN -MOL_01_010938,NCc1c(F)cccc1N2CCN(C(O)C2O)Cc3ccc(F)cc3Cl -MOL_01_010939,n1cnn(c12)c(cc(n2)C)Cc3cc(C(C)O)ccc3CN -MOL_01_010940,c1ccncc1CNC(=C)CCCCCNC(=C)CC(C=2)=Nc(c23)nc(N)nc3=C -MOL_01_010941,Nc1ncc(cc1)CCc2c(ccnc2C)-c3ccc(nc3)C(N)N(C)CCCN(C)C -MOL_01_010942,CC(O)c(c(n1)N)cc(c12)c(O)c3c(c2)cc(cc3)C4=CCCCC4 -MOL_01_010943,Nc1ccc(cn1)C(N)CC(c2ccc(C(F)(F)F)cc2)c3ncccc3F -MOL_01_010944,c1ncnn1CC(N)(c2c(C)cc(C)cc2)Cn3ccc(c34)cccc4 -MOL_01_010945,NCc1cc(N)c(F)cc1C(=O)NC(CN23)C(C2)CCC3 -MOL_01_010946,C1CCCCC1N2CCN(CC2)C3(C(=N)NC(=N)NC3=N)c4ccc(cc4)Oc5ccccc5 -MOL_01_010947,CCC(N)c1cccc(c1)Cc2nccc(n2)N3CC(C3)Oc4ccc(F)c(C)c4 -MOL_01_010948,CCc1c(NC)ccc(c12)cc3c(n2)cc(cc3)CCN -MOL_01_010949,CNCc1ccc(cc1)C2=CC(C(N)O)=c(c23)ccc=4c3C=CC4 -MOL_01_010950,CC1=NC(C)Cc(c12)c(ccc2N)-c3cccc(N)c3 -MOL_01_010951,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccccc3CNC(CO)C(C)(C)C -MOL_01_010952,CCCCC(O)c1c(C)c(c(C)n1C)C(O)CC(C)(C)C -MOL_01_010953,NC1CCc(c12)cc(C)nc2CCC(N)CCc3ccccc3Cl -MOL_01_010954,CCCCc1ccc(CN)c(c1)CC(=O)c2cnn(c23)cccn3 -MOL_01_010955,CCc1ccc(cn1)N(C)C(N)c2cnc(cn2)-c3ccccc3C -MOL_01_010956,NCc1ccc(cc1)C(=O)CCCNC(=O)c2c(F)nc(n23)cccc3 -MOL_01_010957,CCc1ccc(cc1)N2CC(CC2=O)CN(CC3)CCC3(O)c4ccc(F)cc4 -MOL_01_010958,CC(C)C1(NN1)CCC(C)c(c2C)nc(CN)c(c23)cc(cc3)Cc4ccccc4 -MOL_01_010959,CCOc1ccc(cc1OCC)C(O)CCc2nccn2-c3ccc(C)c(C)c3 -MOL_01_010960,n1nnnc(c12)C(=O)C(=C2C)c3ncncn3 -MOL_01_010961,CC1CCN(CC1F)C(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_010962,C=C(N)C1CNc(c12)cc(cc2)CCC(N(N)N)C(=C)CCc3cccc(c3)CC -MOL_01_010963,CC1CCC(CC1)CC(N)c2nn(C(N)N)c(c23)cccc3 -MOL_01_010964,Cc1nccn1-c2ccc(ON)c(c2)COCC3(CCNCC3)c4ccccc4 -MOL_01_010965,NCc(c1)ccc(CC2)c1C23CCN(CC3)C(N)c4ccc(o4)CCc5ccccc5 -MOL_01_010966,CCN(C=N1)C(=C)c(c12)ccc(c2)Nc3ccnc(c34)cc(Cl)cc4 -MOL_01_010967,NCc1c(CN)cc(cc1CN)Cc(n2)ncc(c23)ccn3-c4ccnc(Cl)n4 -MOL_01_010968,Cc1ccccc1NC(=O)C(N=2)=CN(C)C(C23)=CC=CN3C -MOL_01_010969,c1ccccc1Cc2ccc(cc2)NC(N)c3cccnc3NCc4ccncc4 -MOL_01_010970,c1cccc(c12)CNC(=C2C)C(=O)Nc3ccc(cc3)-c4cccc(Cl)c4 -MOL_01_010971,Cc1ccc(cc1)C(=O)CCCN(CCC2)CC23OC(=NC3=O)c4ccccc4 -MOL_01_010972,Fc1ccc(cc1)Cc2nn(cc2C(C)O)C3(CCN)CCN(CC3)C(O)CC4CCC4 -MOL_01_010973,COc1ccc(cc1)N2C(=N)C(CN3CCN(C)CC3)C2c4ccccc4 -MOL_01_010974,CCCC(O)c(c1C)cnc(n12)nc3c2cccc3 -MOL_01_010975,NOc1ccc(cc1ON)Cc2nc(-c3ccccn3)nc(c24)cccc4 -MOL_01_010976,COc1ccccc1CCC(=O)CCC(=O)C(C2)CCc(c23)cccc3 -MOL_01_010977,CC(N)C(C)(C)CCc1c(CN)cnc(c12)ccc(Cl)c2 -MOL_01_010978,C1OC(=O)c(c12)ccc(c2C)C(O)CC(CC3)CCC34CC(=O)C(C4)c5cncc(c5)CN -MOL_01_010979,CCc(c1)ccc(c12)CC(CC)CN(C2)CCNC(N)c(n3)cn(c34)cc(C)cc4 -MOL_01_010980,c1cccc(c12)nc(c(=N)n2C)COc3ccccc3C(=N)Cc4ccccc4 -MOL_01_010981,CCNc(c1)ccc(c12)CC(C)(C)CC2NC(=C)Nc3cccc(c3)CN -MOL_01_010982,CC(N)Cc1ccc(cc1)-c(c(N)cc(c23)cccc3)c2-c4ccccc4 -MOL_01_010983,CC1(C)CCCN(C1)C(O)c2cc(C(O)CN)nn2-c3ccccc3 -MOL_01_010984,Cn1c(=N)cc(nc1C)C2NC2c3cccc(c3)-c4ccccc4 -MOL_01_010985,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)CCC(C)CNc3ccccn3 -MOL_01_010986,NOc(c1)c(CNC)cc(c12)CCC(CC)(CCCC)NC2c3ccccc3 -MOL_01_010987,Cc1ncc(n1C)-c2ccc(cc2)CCN -MOL_01_010988,Cc1ncccc1C(=N)N2CCCC(C2)C(=N)c3ccc4CCc(c4c35)ccc5 -MOL_01_010989,NCc1ccc(cc1)-c2ccc(O)n2-c3ccc(F)cc3F -MOL_01_010990,c1ccccc1C(=C)Cn2cnc(c23)c(ncn3)CN -MOL_01_010991,c1ccccc1C(C)NC(N)Cc(n2)nc(N)c(c23)cccc3 -MOL_01_010992,Nc1cc(ccc1)N2CC(CC2=C)c3ccc(CN)c(c3)CC4CCCC4 -MOL_01_010993,Nc1cccc(c12)ccn2C(C(N)CCC)c3cccc(N)c3 -MOL_01_010994,CCc(c1)ccc(c12)cc3c([n+]2[O-])cc(c(n3)C)C(=O)C -MOL_01_010995,Cc1cccc(c1)CCc(n2)cc(n23)CN(CC3)C(O)c4ccnnc4 -MOL_01_010996,Cc1ccc(cc1C)C(N=2)=NC(=O)C(C23)=C4C(=C3)CCCCC4 -MOL_01_010997,Clc(c1)ccc(c12)CC(C(O)O)CN2C(O)c3ccccc3 -MOL_01_010998,NCCCC(C)Nc(c1)cnc(c12)cc(CN)c(c2)CN -MOL_01_010999,c1ccccc1CN(C2=N)C(c(c23)cccc3)C(=N)NCCc4ccc(ON)c(c4)ON -MOL_01_011000,Cc1cc(O)cc(c12)nn(c2C)C(O)c3ccccc3 -MOL_01_011001,Cc1ccccc1Cn2cnc(c2N)C(=O)Nc(c3)ccc(c34)CCCC4 -MOL_01_011002,NC(O)c(c1O)cnc(c12)cc(cc2)CCc3cccc(c34)cccc4 -MOL_01_011003,Fc1cnc(nc1C)CC2CCN(CC2)c3cc(ncn3)Cc4ccccc4 -MOL_01_011004,Cc1ccccc1-n2c(C)nnc2CCC(N)NC3CCCc(c34)cccc4 -MOL_01_011005,c1ccccc1-c2nc(ON)cc(=O)n2CC(=O)N3COOC3 -MOL_01_011006,NCc(c1)ccc(c12)n(C)c3c2ccc(n3)CCCN4CCCCC4 -MOL_01_011007,Cc1cccc(c1)C(=N)N2CCc(c23)cc(cc3)CNC(=N)Cc4ccc(ON)cc4 -MOL_01_011008,CCc1ccccc1CCCCCCc2ncc(cn2)N3C(=O)CNCC3C(=O)NCc4ccccc4 -MOL_01_011009,C1CCCC=C1c2nccnc2CC3CN(C3)c(n4)ccc(c45)cccc5 -MOL_01_011010,NCCn1c(cc(cc2)CN)c2c(c13)ccnc3N -MOL_01_011011,C1CCCC1NC(=O)CCc2n(CC)c(cc2)CC(=O)Nc3ccccc3Cl -MOL_01_011012,CCc1cccc(n1)CCC(=O)c2nc(N)nc(c23)c(F)ccc3 -MOL_01_011013,c1cccc(c12)nc(CCC)c(n2)C(=O)N3CCN(CC3)c4cccc(Cl)c4 -MOL_01_011014,CC1CCNCC1NC(=O)c2cc(cc(c2)C(=O)CN)CCC3CCC3 -MOL_01_011015,c1ccnc(c12)nc(nc2N)CCCCCc3ccccc3 -MOL_01_011016,O=C(O)C(N=N1)=NN(N12)[N+]([O-])=NC(=C2)C34CC5CC(C3)CC(C5)C4 -MOL_01_011017,CN(C)C(=O)Cc1ccc(cc1)CC(C(=O)C)Cc2ncncc2-c3cccc(Cl)c3Cl -MOL_01_011018,Cc1ccccc1CCc(n2)ccc(c23)C(N)N(CC3)C4CCCC4 -MOL_01_011019,Cc(n1)nc(c12)nc(C)n3c2CCC3 -MOL_01_011020,NC(N)(N)c1cccc(c1)Nc2ncnc(c23)ccc(n3)Cl -MOL_01_011021,CC1CCC(CC1)c2cc(-c3ccncc3)nc(n2)-c4cccnc4 -MOL_01_011022,COC(O)c(cn1)c(O)c(c12)cc(CCCC)c(c2)OCCOc3ccccc3 -MOL_01_011023,Cc1ccc(cc1N)C(=C)NC(c2ccccc2)C(=C)N3CCN(CC3)c4ccc(C)cc4CN -MOL_01_011024,CN(C)Cc1nnc(n12)c3c(cccc3)c(n2)CCc4ccccn4 -MOL_01_011025,CCCC(O)c(n1)nc(C)c(c12)cc3c(n2)cc(C)c(c3)CN -MOL_01_011026,Cc1ccc(C)c(c1)NC(=O)CN(C)C(=O)CC2CC(=O)c(c23)cccc3 -MOL_01_011027,NCOC(=O)c(c1)cc(n12)c(nc(c2)N)CCc3ccc(CN)cc3 -MOL_01_011028,NC(=O)CC(C(=O)C)N(C)C(=O)CCc1ccccc1 -MOL_01_011029,COc1cccc(c1)CCc2cccc(c2)C(N)N3CCN(CC3)c4ccccn4 -MOL_01_011030,CC(N)c1c(N)ccc(c1N)CCCn2cnc(c23)cccc3 -MOL_01_011031,Cc1ncc(C)n(c12)cc(n2)CCc3nc(cn3C)N4CCC(F)C4 -MOL_01_011032,Cc1ccc(cc1)-c2cccc(n2)C(=N)NC(CC(=N)O)c3ccccc3C -MOL_01_011033,CC(=O)C1CCCC(C1)c2ncnc(c23)CCc4c(C3)cccc4 -MOL_01_011034,NCC(=C)c1cc(CN)c(nc1C)N2CCN(C)CC2 -MOL_01_011035,NCc1cccc(c1)-c2ccc(nn2)CCC(=O)N3CCCCC3 -MOL_01_011036,CCC(=N)c1ccccc1C(CN=N2)C23Cc4c(C3=N)c(C)ccc4 -MOL_01_011037,Nc1ccc(cc1C)C(C2)CN=C(C23)c4c(CC3=O)cccc4 -MOL_01_011038,CC(O)CCCC(O)c(c1C)ncc(c12)cc(cc2)-c3ccc(F)cc3 -MOL_01_011039,NC(N)(N)Cc(c1C)cnc(n12)c(cn2)Cc3ccccc3 -MOL_01_011040,Nc1cccc(c1)C(=Nc(c23)cccc3)CC(=C2)c4cccnc4 -MOL_01_011041,CCCCCCCC1(NC(=O)C(C1=O)CC)c2ccccc2 -MOL_01_011042,CNC(O)C(C1)Cc(c12)nccc2-c3ccc(Cl)cc3 -MOL_01_011043,c1ccccc1C2=C(c3ccccc3)C2(C(=N)O)C(=N)N(C)C4CCCCC4N5CCCC5 -MOL_01_011044,C=C(C)c1ccc(c(c1)CN)NC(=C)c(n2)cnc(c23)C(C)(C)CC3(C)C -MOL_01_011045,c1ccccc1CCC(=O)C(C(C)C)C(=O)NC(C=O)Cc2ccccc2 -MOL_01_011046,CC(O)c(c(n1)N)cc(c12)c(O)c3c(c2)ccc(c3)C4=CCCCC4 -MOL_01_011047,CC1CN(CC1F)C(=N)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_011048,NCc1ccc(c(c1)CN)C(O)CCCc2nnc(n23)cccc3 -MOL_01_011049,C=C(O)c1cccc(c1)C(=O)Cc2ccc(cc2)C(=O)N3CNNc(c34)cccc4 -MOL_01_011050,Cn(c1)ccc(c12)nc(c2)-c3ccc(nc3)NCCCl -MOL_01_011051,Cc1ccccc1N(C(N)CCCl)C(CN)c2ccc(CN)cc2 -MOL_01_011052,CN1CCN(CC1)C(=C)CCCc2nc(cc(n2)C(F)(F)F)-c3ccc(CN)cc3 -MOL_01_011053,c1cccc(n12)nc(N)c2C(N)CN3CCN(CC3)c4ccccc4 -MOL_01_011054,CCNc1ccc(c(c1)CC)Nc2cc(cncn3)c3c(c24)cccc4 -MOL_01_011055,Cc1cccc(c1)NCC(=O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_011056,C1=CC=C(C1=2)N=C(N2)C(=N)Cc3cc(ccn3)OCc4cc(C(F)(F)F)cc(C(F)(F)F)c4 -MOL_01_011057,CC(N)Cc(c(N)c1)cc(c12)C(O)c3c2ccc(c3)N -MOL_01_011058,CCc1ccc(CC)c(c12)C(O)c3c(C2O)nccc3C -MOL_01_011059,CCC(N)c1ccc(cc1Cl)NC(N)c(n2)cnc(c23)C(C)(C)CCC3(C)C -MOL_01_011060,C=C(O)c1cc(C(=C)O)c(c(c1)C(=O)C)C(C2)CNc(c23)cccc3 -MOL_01_011061,C=C(C)CCCc(n1)cc(C)c(c12)c(N)ccc2N -MOL_01_011062,Clc1cncc(Cl)c1NC(=C)c(ccc2CC(F)F)c(C3)c2CC34NC=CCN4 -MOL_01_011063,NC(N)CC1CC1c2cc(C)c(cc2)NCCc(n3)ccc(c34)CCC=N4 -MOL_01_011064,OCCCC(C(C(=O)C)C(=O)C)c1ccc(c(C)c1C)OCC(=O)O -MOL_01_011065,CCc(n1)ccc(c12)nccc2NCC3(O)CCN(CC3)CCc(c4)ccc(c45)CCCC5 -MOL_01_011066,CCc1ccc(cc1)C2CC(C=C2C)Cn3cc(CN)c(=O)n(C)c3=O -MOL_01_011067,NCC(=C)NCCCc1cc(cnc1CN)C(C)N(C2CC2)C(=C)C3CCCNC3 -MOL_01_011068,CCc1cc(CN)cc(c12)c(c(cn2)CO)CCc3ccc(ON)c(Cl)c3 -MOL_01_011069,NCc1cc(CN)ccc1NC(=C)NCc(nc(c23)cccc3)c(n2)N4CNCNC4 -MOL_01_011070,c1cccc(c12)ncn2CC(N)C(C)Oc3ccc(cc3)-c4ccc(F)cc4 -MOL_01_011071,c1cccc(c12)CCN(C2)CC3=NCC(C(C3)N)c4cc(F)c(F)c(F)c4 -MOL_01_011072,CCc1ccccc1C2C(CN)=C(CC(=O)C2CN)CCC(=O)CCNNC -MOL_01_011073,NCc1cccc(c1)-n2ccnc2CCC(O)CCc(c3)ccc(c34)CNC4 -MOL_01_011074,CCCc1nc(NC)c(Cl)cc1C(O)NC2CN(C)CCN(C2)CC -MOL_01_011075,CC(C)(C)C(=O)Cc1cccc(c12)nc(cc2)CCc3ccccn3 -MOL_01_011076,Cc1cc(CN)ccc1CCc2cnn(c2CN)C3CCN(CC3)C(=O)CC4(C)CC4 -MOL_01_011077,c1cccnc1CNC2=CC(=NN(C)C2=C)CCC3CC3c4ccc(cn4)CN -MOL_01_011078,Cc1ccc(cc1)C(N)N(c(c23)cccc3)C(C)(C)C(N)N2Cc4ccccc4 -MOL_01_011079,Clc1cc(ccc1)C(=N)N2CCC(C2=N)NCc3cncn3Cc4ccc(CN)cc4 -MOL_01_011080,CC1=CC=c(c12)cc3c(c2)=C(C)C(=C3)C(=O)Nc4ccc(CN)cc4 -MOL_01_011081,Cc1ccc(C)c(c1)CC(=O)CCC(=O)c2nn(C)c(=O)c(c23)cccc3 -MOL_01_011082,C=C(C)Cc1ccccc1C(=C)CC(Cn2cncn2)(Cn3cncn3)c4ccc(F)cc4F -MOL_01_011083,NCc1cc(ccc1)CC(=C)CN2C(=C)CCc(c23)ccc(c3)CC(CN)CN -MOL_01_011084,C=C(O)c1ccccc1CCCCN2CCN(CC2)CC(C)(Cn3cncn3)c4ccc(F)cc4F -MOL_01_011085,Cc1ccc(C)c(c12)c(O)cc(n2)NC(C)C -MOL_01_011086,CCc1ccc(CC)c(c1)-c(c(N)c2)cc(c23)nc(C)nc3C -MOL_01_011087,CCCCC(=O)N1CCC(CC1)Cc2ccc(cc2)C(=O)NCCc3ccccn3 -MOL_01_011088,c1cccc(c12)C(C)(N=C2C)c3cccc(c3)CC(N)c4ccc(Cl)cn4 -MOL_01_011089,Oc1nccc(c12)cc(cc2)CC3CCCNC3 -MOL_01_011090,Nc1cccc(N)c1-c2c(Cl)nnc(N)c2-c3ccc(Cl)nc3 -MOL_01_011091,Nc(n1)cc(N)n(c12)nc(n2)CCCc3cccc(Cl)c3 -MOL_01_011092,n1cnc(n12)nc(C)c(CCC)c2Cc3ccc(C)cc3 -MOL_01_011093,Cc1ccn(c12)c(NC3CC3)nc(n2)Nc4cccc(c4)NC(C)O -MOL_01_011094,Cc1ccc(C(C)O)c(c12)ccc(n2)C(O)Nc3cccc(c3)CN -MOL_01_011095,Cn1c(=O)n(C)c(=O)c(c1C)C(=O)CCC(=O)CC(CC23)C(C2)CC3 -MOL_01_011096,Nc1nc(ccc1)-c2cc(CC)c(cc2CN)CCCN(C)C -MOL_01_011097,CC1CN(CC1F)C(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_011098,Nc1cccc(N)c1C(C)c(n2)ccc(c23)cccc3 -MOL_01_011099,C1CCC(N12)C=Nc3c(C2N)cc(CC)c(c3)CCCCN4CCCCC4 -MOL_01_011100,CCC(=O)C(CC(C)C)NC(=O)NC(C(=O)C)Cc1cccc(c1)C(=O)C -MOL_01_011101,Cc1ccc(C(C)O)c(c12)ccc(n2)C(O)Cc3ccccc3F -MOL_01_011102,Cc1ccc(cc1Cl)C(C)c2ncnc(c23)cc(CN)c(c3)CN -MOL_01_011103,C1CCc(c12)nc(N)c(c2)C(N)NC3CCN(CC3)c4ncccn4 -MOL_01_011104,n1cnc(n12)nc(N)c(c2N)CCC(N)NCc3cccc(Cl)c3 -MOL_01_011105,CC(=O)CCCCCC(=O)c(c1C)ncc(c12)c(=O)n(cc2)Cc3ccccc3 -MOL_01_011106,NCCc1ccc(cc1)-c2cnc(C)c(n2)-c3ccc(C(F)(F)F)nc3 -MOL_01_011107,CC(N)c1ccc(c(F)c1)C2CCC(CC2)C(N)COc3ccccc3F -MOL_01_011108,CCNc1cc(ccc1N)C2C(C(N)CC(C3)(C)C)=C3C(CCCNC)C(=C24)CC(C)(C)CC4N -MOL_01_011109,Cc1cc(C)cc(c12)NC(C(=O)OCC)N(C2)Cc3ccc(ON)cc3 -MOL_01_011110,Cc1c(Cl)cccc1CNc2ccc(C)c(c2O)CC(=N)NCc3ccc(N)nc3C -MOL_01_011111,Cc1ccccc1-n(n2)cc(c23)nc(nc3C)Cc4ccccc4 -MOL_01_011112,CCCCCc1ccc(cc1)-c2c(CN)c(C)nc(C)c2C(N)Nc3ccccc3 -MOL_01_011113,Cc1nccc(n1)Cc2ccccc2-c3ccc(c(F)c3)-c4cnc(N)cn4 -MOL_01_011114,CCCC(=O)CCc1ccn(c1)-c2ccc(cc2F)N3CC(CC3=O)CNC(=O)C -MOL_01_011115,C1CCCc(c12)cc3c(c2)ncc(c3C)C(=O)NCc4cccnc4 -MOL_01_011116,CC(=O)CN1N(CC(=O)C)C=C(C=C1C(=C)C)C(=O)Nc2ccc(C(=C)C)cc2 -MOL_01_011117,Cc1ccccc1C(O)N(C2)CCn(c23)c(nn3)C(F)(F)F -MOL_01_011118,CCc1ccccc1Cn2c(NNNC(=O)C)cc(c23)cc(C(F)(F)F)cc3 -MOL_01_011119,Cn1ncc(c12)c(nc(n2)N)CC3(CC(=O)CCN)CCCCC3 -MOL_01_011120,c1ccccc1CC(=C)N(N=C(N)C2)C2(C)c3ccccc3 -MOL_01_011121,Cc1ccc(cc1C)C(N=2)=NC(=O)C(C23)=C4C(=C3)CCC4 -MOL_01_011122,NC(=O)c1ccc(cc1)NC(=O)C(N)CC(=O)C2CCN(CC2)c3ccc(C(F)(F)F)cn3 -MOL_01_011123,C1CCCCC1NC2=C(C(N)CCC)CN(C2N)c3ccc(Cl)c(Cl)c3 -MOL_01_011124,CCC(=O)C1=C(C(=O)CC)C(=O)C1(CC)c2cccc(C)c2 -MOL_01_011125,Cc1ccc(CN(C)C)cc1-c2ccc(C)c(n2)CNC(CO)C(C)C -MOL_01_011126,c1cccc(c12)N=C(CC(=O)C2CN)c3cccnc3 -MOL_01_011127,CN1CCN(CC1C)C(=O)c2ccc(CC)c(c2)CC3CCN(C(=O)C)CC3 -MOL_01_011128,CC(=O)Nc1ccc(cc1)OCc2nnc(o2)CCC(=O)c(c(=O)o3)cc(c34)cccc4 -MOL_01_011129,c1cccc(c12)C(N)c3c2cccc3C(N)Cc4ccccc4C5CCOCC5 -MOL_01_011130,Cc1cccc(C)c1NC(O)NC(O)c2c(C(Cl)(Cl)Cl)ccnc2CN -MOL_01_011131,Clc1cc(Cl)ccc1C(N)C(O)(Cn2cnnc2)c3ccc(Cl)cc3Cl -MOL_01_011132,CC(=O)CNC(=O)C1=C(C)CCN(C1=O)Cc2cnc(c(Cl)c2)Cc3ccc(C)cc3 -MOL_01_011133,CCCC(=O)CCC(=O)CC(C1=O)=CC=C(C1=2)c3c(C2)cccc3 -MOL_01_011134,OC(O)c1ccc(cc1)C(C)(C)NC(O)c2cc(F)cnc2Cc3ccc(F)cc3 -MOL_01_011135,Cc1c(C)cc(c12)ccc3c2n(CC(C)O)c(O)cc3C -MOL_01_011136,Fc1ccccc1CCc2nc(C)cn(c23)cc(c3)C(N)N4CCOCC4 -MOL_01_011137,c1ccccc1C2=C(C(C)N)C(C(=C(C2)N)CN)c3ccc(O)cc3 -MOL_01_011138,C=C(C)c1ccc(N)c(c1)CCCCc2cnn(c23)ccc(n3)Cl -MOL_01_011139,Cn1nccc1C(CN)Cc2nc(COCN)nc(c23)CCCCC3 -MOL_01_011140,CC(C)n1nc(ccc1=O)CC(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_011141,CCCC(=C)C(NC)(NC)NC(=C)c1ccc(C(F)(F)F)c(n1)CCC2NN2 -MOL_01_011142,O=C(N1)COc(c12)ccc(c2)C(CC3)=Nn(c34)cnn4 -MOL_01_011143,CCCC(N)c1c(N)nc(C)c(CC)c1CC2CCCC2 -MOL_01_011144,c1ccc(n12)nc(cc2N)CC3CCCc(c34)cccc4 -MOL_01_011145,CN(C)C(N)C(CC)(CC)NC(N)c1cccc(n1)-c2cccc(F)c2 -MOL_01_011146,c1ccccc1C(c(c23)cc(Cl)cc2)CN(CC(=N)O)C(=N)C3CC(C)C -MOL_01_011147,Cc1ccc(cc1)-c2nn(c(=N)c(c23)cccc3)CCC(=N)NC(C)C -MOL_01_011148,c1cccc(c12)c(cc(n2)C)C(N)CCC(N)CCc3ccccc3 -MOL_01_011149,c1cccc(c12)cc(N)n2CC(N)Cc3ccccc3OC(N)Cn4c(N)cc(c45)cccc5 -MOL_01_011150,n1ccnc(c12)CC(C(=C)N=C)N(C2)Cc3ccc(cc3)Cc4cnccn4 -MOL_01_011151,CCOC(=N)CCNC(=N)N1CCc(c12)cc(cc2)CN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_011152,Nc1nn(c(N)c1Cl)Cc2ccc(cc2)C(N)Nc3ccccc3F -MOL_01_011153,CCOc1ccc(OCC)c(c1)Nc(c(c2)C(F)N)cc(c23)c(C)ncc3CO -MOL_01_011154,FC(F)(F)C(C1)C(C(N)O)=Cc(c12)cc(Cl)cc2-c3ccccc3 -MOL_01_011155,NCc1cc(ccc1)CC2(C)CCN(C2)Cc3ccc(cc3)-c4ccccn4 -MOL_01_011156,Fc1ccc(cc1)C(C)c2c(N)nn(c2N)-c3ccc(CN)c(Cl)c3 -MOL_01_011157,Nc1ncc(cn1)-c2ccc(cn2)-c3ccccc3CC4CC4 -MOL_01_011158,Cc1cc(C(O)CO)cnc1C2(C)CCN(CC2)C(=O)Nc3ccc(cn3)C(C)(C)C -MOL_01_011159,Nc1cccc(c1)C(c(c23)cc(N)cc3)C(N2)c4ccccc4 -MOL_01_011160,CCCCC(=O)C1C(=O)C(=C)C(=O)c(c12)cccc2 -MOL_01_011161,Nc1cc(ON)c(cc1C)C(=O)NCC23CC4C(C2)CN(C4)C3 -MOL_01_011162,Nc1nc(N)c(N)c(n1)N2CCC(CC2)NCCOc3ccccc3 -MOL_01_011163,C1CCCCC1CN(C(N)CC2)C2(C)c3nccn3Cc4ccccc4 -MOL_01_011164,Clc1ccccc1C(NC(=O)C)CC(=O)c2ccc(nc2)Cc3ccccc3 -MOL_01_011165,CCC(N)CCNC(N)c1ccc(cc1F)-c2ccnc(C)c2CCc3ccc(N)nc3C -MOL_01_011166,Cc1ccc(nc1)C2C(=N)CCC2c3c(C)cccc3N -MOL_01_011167,NCc1ccc(cc1)CCCc(n2)nc(n23)nc(N)cc3N -MOL_01_011168,NOc1ccccc1C(C2O)CCc(c23)c(ON)ccc3ON -MOL_01_011169,Cc1nn(C)c(C)c1NCc2ccc(cc2)-c3ccnc(c3)N4CC(C)NC(C)C4 -MOL_01_011170,Nc(c1)ccc(c12)nc(nc2N)Cc3nc(O)cc(n3)-c4ccccc4 -MOL_01_011171,CC(=O)c(c1C)cnc(c12)ccc(c2)N -MOL_01_011172,NOCCCC(=N)c1ccc(cc1C)Cc(n2)ncc(c23)cc(cc3)-c4ccncc4 -MOL_01_011173,c1cccc(c12)cc(c(c2)CN)C(=C)N(C3)CC(C34)CN(C4)c5nc(C)cc(n5)C -MOL_01_011174,c1cccc(C2C)c1C(C)(C)C23Cc4c(N=N3)cc(N)cc4 -MOL_01_011175,Cc1cc(CN)ccc1-c2cnnn2-c3cc(CN)c(CN)c(c3)CN -MOL_01_011176,C=NC(=N)C1CCCNC1CCc2ccc(cc2)OCc3cc(C)nc(c34)cccc4 -MOL_01_011177,CC1C(=N)CCc(c12)cc(cc2)-c3cncc(c3)COc4ncccn4 -MOL_01_011178,NCc(c1)ccc(c12)nc(cn2)C3CCCCC3 -MOL_01_011179,Cc1ccccc1NC(=O)CCc2nccn2-c3ccc(CN)cc3 -MOL_01_011180,C=C(O)c(n1)cn(c12)CC(CC2)CCc3ccc(cc3)-c4ccnc(F)c4 -MOL_01_011181,CCNC(O)Nc1ccc(cn1)C(O)Nc2cc(Cl)ccc2C -MOL_01_011182,C1CC1C2(O)CCN(CC2)C(=O)c3ccc(cc3)NCc4cccc(c45)cccn5 -MOL_01_011183,CNc(c1)ccc(c12)NC(N)CC2(C(F)(F)F)CCC3CC3 -MOL_01_011184,CC(C)(C)CC(=N)C1=C(C)NC(C)=C(C(=N)CN)C1c2cccc(C(F)(F)F)c2 -MOL_01_011185,CCc(c1)cnc(c12)ccc(c2)C(N)C3CCC(ON)CC3 -MOL_01_011186,NCc1cnc(nc1NC)Nc2ccc(cc2CN)C(=O)NCC3CC3 -MOL_01_011187,NCc1c(CN)cc(cc1CN)Cc(n2)ncc(c23)ccn3-c4ccnc(Cl)c4 -MOL_01_011188,CCCC(O)C1=C(C)NC(N)=C(CN)C1c2ccncc2 -MOL_01_011189,Fc1ccc(cc1)C(O)NCCCN(c2ccccc2F)C3=NCc(c34)cccc4 -MOL_01_011190,CC(N)Oc(c1)ccc(c12)n(c(c2)C(N)O)Cc3ccc(F)c(F)c3 -MOL_01_011191,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccccc3CN(C)C4CCCNC4 -MOL_01_011192,CCC(O)N1CCc(c12)cc(cc2)CCCC(O)N3CCN(CC3)c4ccccc4 -MOL_01_011193,NC(N)(N)c1cc(ccc1)C2=C(CC)OC(C2=N)c3ccccc3 -MOL_01_011194,Cc1ccc(cc1)C(=C)NC(C(C)C(N)(N)C2)c(c23)cc(cc3)Cc4ccccc4 -MOL_01_011195,CCCCCc1ncc(c(n1)CC2CCC(O)CC2)C(N)Cc3ccccc3ON -MOL_01_011196,c1ccccc1-n2nc(NNC)cc2CC(O)CCC(O)c3ccc(C)cc3C -MOL_01_011197,c1cccc(c12)CCN2C(=N)c3ccc(N)cc3N -MOL_01_011198,CC(C)CN(CC(C)C)Cc(n1)nc(N)c(c12)ccn2C -MOL_01_011199,CCCC(=N)CC(c(cc1F)ccc1)c(c2O)ccc(c23)cccn3 -MOL_01_011200,Cc1ccnc(c12)c(cc(CN)c2CN)NC(C)CCCCN -MOL_01_011201,NCc1ccc(cc1)C(C(=O)C)Cc2cc(C)nc(c23)cccc3 -MOL_01_011202,CCN(CC)CCCCCN(C(=N)C1)C(=N)C12c3c(CCC2)cccc3 -MOL_01_011203,NCc1cccc(c1CN)CN2CCCC(C2)C(N)c(c3)ccc(c34)CCC4 -MOL_01_011204,c1cnccc1-c2nc(CC)cc(c2)C(=O)CC(CC(=O)C)c3ccccc3C -MOL_01_011205,NC1CCCc(c12)nc(nc2)C3CCc(c34)cccc4 -MOL_01_011206,CCc1ccccc1C(O)C2=C(O)C(O)=C2CCc3ccccc3 -MOL_01_011207,C=C(C)c1cc(ncn1)-c2ccccc2C(N)(N)N -MOL_01_011208,C1CCCCC1CCNC(=C)Nc2ccc(cc2)Cc3ncnc(c34)cc(CN)c(c4)CN -MOL_01_011209,c1nccc(c12)CN(C2)C(=C)Nc3ccc(cc3)CC4CCN(CC4)C(=C)c5ccncn5 -MOL_01_011210,NCc(c1)c(CN)cc(c12)nccc2Nc3ccc(Cl)cc3Cl -MOL_01_011211,NOc(c1)ccc(c12)c(c(c(o2)=O)NN)-c3cccc(c3)ON -MOL_01_011212,CCC1CC(CC)Cc(c12)cc3c(c2)c(C(N)(N)N)cc(n3)N -MOL_01_011213,Cc1cc(C)n(n1)C(N)c(c(n2)C)cc(c23)cccc3 -MOL_01_011214,CC(=O)CCC(=O)c(n1)cn(c12)cc(cc2)-c3ccccc3 -MOL_01_011215,c1cccc(c12)c3c(c(N)n2C)cc4c3ccc(c4)CN -MOL_01_011216,NC(=O)c1ncn(c1N)Cc2cc(F)c(c(Cl)c2)C(=O)c3ccc(Cl)cc3 -MOL_01_011217,NCCCC(C)Nc1cc(CN)c(F)c(c12)cccn2 -MOL_01_011218,c1cccc(c12)C(O)C(O)C(=C2C)C3CCCCC3 -MOL_01_011219,NCc1ccc(C(=O)NC2CC2)c(c1)CC3CCN(CC3)CC4CC4 -MOL_01_011220,Cc1ccccc1C(N)c2cccn2CC(N)NCCN3CCN(CC3)c4cccc(C)c4C -MOL_01_011221,CC(C)(C)CCc1cnc(cc1NC)Nc2cnc(CN)c(n2)CC(C)CN(C)C -MOL_01_011222,CC(N)c1nc(N)nc(N)c1CCc2cc(cccc3)c3c(c24)cccc4 -MOL_01_011223,CCCCCc1ncc(c(n1)CC2CCC(O)CC2)C(N)Cc3cccc(c3)ON -MOL_01_011224,NCc1cccc(c1)-n2ccnc2CCC(=O)Nc3ccc(Cl)c(Cl)c3 -MOL_01_011225,COCCN(C)C(N)c1cc(ccc1F)-c2ccnc(C)c2CCc3ccc(N)nc3 -MOL_01_011226,CCc1ccccc1CNCc2ccc(cc2)CCNCC(O)c3ccc(O)c(c3=4)=NC(=O)C4 -MOL_01_011227,c1cccn(c12)c(C(N)N)nc2C(=N)NC3CCN(CC3)CC4CC4 -MOL_01_011228,CCC1CCCN1c2nccc(n2)Nc(c3)ccc(c34)CNC4 -MOL_01_011229,CC(N)c1ccc(cc1)OCC(N)c2ccc(cc2)-c3ccccc3 -MOL_01_011230,c1cccnc1N(C2CCCCC2)C(=N)c3ccc(N)cc3Cl -MOL_01_011231,C=C(O)c(c1)ccc(c12)ncc(c2C)C(=O)CCCN(C)C -MOL_01_011232,c1ccc(n12)c(=O)n(nc2N)CC(=O)CC3CCCCC3 -MOL_01_011233,O=C1NC(=O)CC1Cc2ccc(C)c(c2)C(=O)NCc3ccc(C(F)(F)F)cc3 -MOL_01_011234,c1ccc(c12)nc(O)n(c2O)CCCc3ccccc3 -MOL_01_011235,CCc1ccc(cc1)NC(N)c(c2N)cnc(c23)ccc(c3)C(C)(C)C -MOL_01_011236,CCCC(=O)C1=C(NC(=O)NC1C)CCC(=O)C(C(C)C)NC(=O)c2cccc(C)c2 -MOL_01_011237,Cc(c1)cc(C)c(c12)cc(CN)c(n2)CCCCCC(N)c3ccc(ON)cc3 -MOL_01_011238,Nc1ncc(cc1)CCc2c(ccnc2CC)-c3ccc(c(F)c3)C(N)NCCOC -MOL_01_011239,NCCC(=C)CC(C1=C)=NN=C(N12)C(CC2)c3ccc(N)cc3 -MOL_01_011240,Cc1ccc(cc1F)NCc2c(c(C)n(C)c2C)C(N)N3CCCCCC3 -MOL_01_011241,CCCN(CCC)c1c(CN)nc(nc1CCC)-c2c(C)cc(C)cc2CN -MOL_01_011242,NCc1ccccc1CNC(=O)CCC(=O)CNC(=O)c2ccc(cc2)-c3ccccc3 -MOL_01_011243,c1cccc(c12)c(=N)n(cc2)CCCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_011244,Cc1ccccc1N2CCC(C2=O)Cc3nnnn3C -MOL_01_011245,Cc1ccc(c(C)c1)C(CCC(N)C(O)O)c2cccnc2 -MOL_01_011246,C1CNCCN1C(=O)C(Cc2ccc(C)cc2)n3cnc(c3)C(N)CC(C)C -MOL_01_011247,NCCCCn1cnc(c1)-c2ccc(cc2)NC(=O)N(C3)Cc(c34)cccc4 -MOL_01_011248,C1CCCC1c2nc(nc(O)c2CN)CCc3cccc(F)c3F -MOL_01_011249,NCc1cc(N)c(Cl)cc1C(=O)NC(C23)C4CC(C2)N(C4)C3 -MOL_01_011250,CC(=O)Nc(c1)ccc(c12)CCCCCCCc3c(CN)ncc(n3)NC(=O)N2 -MOL_01_011251,COC(N)Cc(c1C)c(N)cc(c12)c3c(cc2)OCN(C3)Cc4ccc(Cl)cc4 -MOL_01_011252,CC(=O)Nc1ccc(cc1Cl)C(C)CN2CCN(CC2)c3cnnc(C)c3Cl -MOL_01_011253,c1cccc(c12)NC(=C(C(=N2)C)C(N)CCC)NC(N)Cc3ccc(Cl)c(Cl)c3 -MOL_01_011254,CCOc1ccccc1CNC(N)Cn2ccc(c23)cc(cc3)CN4CCCCCC4 -MOL_01_011255,COC(N)c(c1N)cnc(c12)ccc(c2)CC3CCC(CC3)c4ccccc4 -MOL_01_011256,C1CCCCN1Cc2ccc(cc2)NC(=C)c3cnc(NCCCC)nc3NCC4CCNCC4 -MOL_01_011257,CCCC(O)c1cccc(c1)CC(O)c(c2)ccc(c23)n(cn3)CC -MOL_01_011258,Cc1ccc(cc1C)NC2(CN)C(=N)Nc(c23)cccc3 -MOL_01_011259,CC1CN(C1)c2nccnc2CC3CCN(CC3)c(n4)ccc(c45)cccc5 -MOL_01_011260,Cn1ncc(c1C)CCC(N)c2ccc(ON)c(c2)OC3CCC(C(C)C)CC3 -MOL_01_011261,O=C(C)c1ccc(C)c(c12)nc(cc2)C(=O)Nc3ccc(C)cc3 -MOL_01_011262,Cc1cccnc1C(N)Cc2ccc(c(Cl)c2)N(C3)C(N)CC34CCCC4 -MOL_01_011263,Cc1ccc(cc1)-c2nnc(n2C)CCC(N)CC(N)Nc3ccccc3 -MOL_01_011264,NCc1c(CN)c(CN)cc(c12)c(ncn2)Cc3cccc(F)c3 -MOL_01_011265,C=C1CCc(c12)cccc2Cc3nc(ncc3CN)Nc4ccc(CN)cc4 -MOL_01_011266,C=C1CC(CC)CN1c2ccc(c(F)c2)-c3cnc(CN)c(C)c3 -MOL_01_011267,Cc1cc(ccc1)CN2C(=C)C=CC(=C2)C(=C)Nc3ccccc3C(=C)CN -MOL_01_011268,COc1ccc(cc1)Cn2ccnc2C(C(C)C)N3CCN(CC3)c4ccccc4OC -MOL_01_011269,Cc1ccc(cc1)C(=N)N(C2)CC(=N)N(C23)CCCc4c3cccc4 -MOL_01_011270,CCc1cc(CC)cc(c1)NC(=O)CCc2c(C)nc(C)c(CN)c2C -MOL_01_011271,Clc1ccc(cc1Cl)C(C(C)=NC(=N2)C)C2(N)CCc3ccccc3 -MOL_01_011272,CCC(C)C(=O)N(C(C(=O)C)CC1)c(c12)nnnn2 -MOL_01_011273,CCOC(N)C1=C(C)CC(c2ccccc2)=NC1c3ccccc3 -MOL_01_011274,CCc1ccc(c(c1)CN)N2CC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_011275,COc1ccccc1C2CCC(CC2)CCC(C(N)C3)C(N)CC34CCCC4 -MOL_01_011276,NCn1nc(N)c(c1N)NC(N)CN2CCC(C2)c3ccccc3Cl -MOL_01_011277,c1ccccc1C(c(c23)nccc2)=CC=C(N3)c4ccc(N)cc4 -MOL_01_011278,c1cccnc1CCc2cc(ccc2ON)C(N)N3CCN(CC3)c4ccccn4 -MOL_01_011279,COc1cccc(c1)CN(C(=N)c(c23)cccc3)C2C(=N)NCCc4ccccc4 -MOL_01_011280,Clc1cc(ccc1)-n2c(cnc2C)C(=N)c3ccc(N)cc3 -MOL_01_011281,NC(N=1)=NC(=O)C(C12)=NC=C2Cc3cccc(Cl)c3 -MOL_01_011282,CCn1cnc(c12)c(CN)ccc2CN -MOL_01_011283,COc1ccccc1CN2CCC(CC2)n3nccc3CC(=N)CCCc4ccccc4 -MOL_01_011284,CC(=O)OCCn1cnc(c1)C(=O)Nc2ccc(cc2)-c3cn(cn3)Cc4ccccc4 -MOL_01_011285,NCC(=C)c1nccnc1NCC(=C)N2CCC(CC2)Cc3ccccc3Cl -MOL_01_011286,CCCn1cccc1-c2nccnc2CC3CCN(C(C)O)CC3 -MOL_01_011287,CC(=O)C(C(C)C1)c(c12)nnc(F)c2F -MOL_01_011288,Cc(c1)ccc(c12)CC(CN2)C(=O)NC3CCC(C)CC3 -MOL_01_011289,C1CCCCN1Cc2ccc(C)c(n2)-c3ccc(CN)cc3 -MOL_01_011290,c1cccc(c12)CCC(C2)C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F -MOL_01_011291,c1cccc(n12)nc(c2C(=C)O)N(CCCC)CCCC -MOL_01_011292,CCCC(=O)c1cc(C)n(c1C)CC2CCC(CC2)C(=O)Nc3ccc(F)cc3 -MOL_01_011293,CCC(=O)c1ccc(N2CCN(C)CC2)c(c1)CC(=O)c3ccccc3Cl -MOL_01_011294,CCn1nc(ccc1=O)CC(C(C)(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_011295,CC(=O)CCc1nc(C2CC2)cc(c1CN)-c3ccc(ON)cc3 -MOL_01_011296,Nc1ncc(cc1)CN2CC(CCC)N(CC2)c3ccc(cc3)C(C)(C(F)(F)F)CN -MOL_01_011297,c1cccc(c12)c(=C)n3c2=Nc4c(C3)cc(N)cc4 -MOL_01_011298,n1cccn(c12)cc(n2)C(CC)CC(N)CC3CCN(CC)CC3 -MOL_01_011299,c1ccccc1N(C)C(=O)Cc2ccc(Cl)cc2C(=O)Nc3ccc(Cl)cc3 -MOL_01_011300,NOc(c1)c(ON)cc(c12)ncc(CN)c2Cc3ccc(Cl)cc3Cl -MOL_01_011301,CC(N)c1c(F)cccc1CCCn2cnc(c23)C(C)CN=CC3 -MOL_01_011302,Nc1ccc(C)c2c1n(c(c23)ccc(c3)CC)Cc4cccc(c4)CN -MOL_01_011303,C1COCCC1CCC(N)c2cnc(cc2C3CC3)Cc4cccc(F)c4 -MOL_01_011304,CCc1ccc(cc1)-c2cc(C3CC3)nc(c2CN)CCC(C)=N -MOL_01_011305,Nc1cc(ccn1)Cc2ccc(cc2F)Nc3nccnc3C(N)Nc4ccc(F)cc4F -MOL_01_011306,Cc1ccc(cc1C)C2=NN(C(O)c3ccncc3)C(C2)c4ccccc4 -MOL_01_011307,c1cccc(c12)CCN(C2)CC(C)CNC(=O)CCc3cccnc3N -MOL_01_011308,Cc1cccc(n1)CC(=N)c(n(n2)C)c(c23)CCCC3 -MOL_01_011309,Cc1ccccc1-c2cc(nc(n2)N)-c3ccc(F)cc3 -MOL_01_011310,c1ccccc1C2N=C(N)N=C(C2CC(=O)O)c3cccnc3 -MOL_01_011311,Nc1cnc(cn1)-c2ccc(cc2F)-c3cccnc3CCC4CC4 -MOL_01_011312,O=CN(C)C(=O)c1ccc(N(C2)CC2(C)C)c(n1)CCC3CC3 -MOL_01_011313,CN1CC(N)C(C1)c2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_011314,c1ccccc1C(C2)(CN)C(C)(CN)C(=O)c(c23)cccc3 -MOL_01_011315,CCCCCN(C1=O)C(=O)c(c12)ccc(c2)C(=O)Cc3ccccc3Cl -MOL_01_011316,C=C(O)c1ccccc1C(O)n2c(C)nc(c23)cccc3 -MOL_01_011317,Nc1cc(ccc1)C(C(N)CCC)n2ccc(c23)c(N)ccc3 -MOL_01_011318,Fc1ccc(cc1)C(N)C2CCN(CC2)CCN(C3N)CCCc(c34)cccc4 -MOL_01_011319,COc1cccc(c1)-c2cc(F)c(cc2C)Cc3ncccc3C(N)O -MOL_01_011320,CC(=O)C1(CC1)c2nnc(c(F)n2)-c3nnc(F)c(F)n3 -MOL_01_011321,Cc1nc(C)c(c(n1)N)CCC(N)c2cc(ON)cc(c2)-c3ccccc3 -MOL_01_011322,c1cccc(c12)c(C)nnc2OC(=C)CC(N)C(=C)Cc3ccc(F)cc3Cl -MOL_01_011323,CCCC(O)N1CCC(CC1)CN(CC2)CCC23c4c(NC(C3)O)nccc4 -MOL_01_011324,NOCCCC(O)CN(c1cc(C)cc(c1)C)C(O)Cn2cnc(c23)cccc3 -MOL_01_011325,c1ccccc1CN(C(=N)C23C(C)(C)C(C)(C(O2)=N)CC3)Cc4ccccc4 -MOL_01_011326,C=C(O)c1cccc(c12)c(C)c(cn2)C(O)CCC -MOL_01_011327,NCc1c(CN)cc(cc1CN)Nc2nc(ccc(Cl)c3)c3n(c24)ccc4 -MOL_01_011328,CCc1ccc(nc1)C2CC2CCc3nc(C)ncc3CN(CC4(F)F)CC4 -MOL_01_011329,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(C)c2)-n3nnc(n3)C=O -MOL_01_011330,O=C1CC(CC1)C(=O)Cc2nn(C(C)C)c(c2)-c3ccccc3 -MOL_01_011331,CCCCC1CCc(c12)c(nc(n2)CN)CCc3ccccc3 -MOL_01_011332,CC(N)c1cccc(c12)CN(C2N)C3CCN(CC3)Cc(n4)ccc(c45)cccc5 -MOL_01_011333,Cc(n1)nc(C)c(c12)cc(N)c(c2)-c3cccc(c3)C(N)N -MOL_01_011334,CC(=O)C1CCCN(C1)C(=O)CCn2ccc(c23)c(CN)ccc3 -MOL_01_011335,CC(C)CC(C=O)NC(=O)CCNC(=O)CCc1ccccc1 -MOL_01_011336,C1COCCN1Cc2c(N)n(-c3ccc(Cl)cn3)c(N)c2CN4CCOCC4 -MOL_01_011337,NCc1ccc(cc1CN)C(=C)Nc2c(C)nc(nc2N)CCC(=C)N3CCC(C)CC3 -MOL_01_011338,c1cccnc1CN(C2)CCCn(c23)cnc3COc4ccccn4 -MOL_01_011339,O1NOc(c12)ccc(C)c2Nc3ccnc(c3)NC(=O)c4ccccc4 -MOL_01_011340,Cc1cc(C)n(n1)C(=N)c(c(n2)C)cc(c23)cccc3 -MOL_01_011341,CCc1ccc(N)c(c1)CC2CCC(CC2)C(N)C(C)C -MOL_01_011342,n1ccncc1Nc2ccnc(c23)ccc(c3)-c4ccc(cc4)CN5CCOCC5 -MOL_01_011343,Cc(c1)ccc(c12)nc3c(c2)C=NN=C(C3)Nc4ccc(F)cc4 -MOL_01_011344,Cc1ccc(cc1C)-n2c(N)ccc2-c3ccc(CN)cc3 -MOL_01_011345,Fc1ccc(cc1)Cn2nc(C)c(c2C)CC(N)c3nn(C)cc3Cl -MOL_01_011346,C=C(C)c1ccc(Cl)nc1N(C)c2ccc(CN)cc2 -MOL_01_011347,NCc1ccc(cc1)-c(c2)ccc(c23)n4c(CCC3)cnc4 -MOL_01_011348,NCC(O)C(C1)Cc(cccc2)c2n(c13)cnc3 -MOL_01_011349,CCc1ccc(cc1Cl)NC(N)CN2CCN(CC2)c3ccccn3 -MOL_01_011350,CC(=O)c1ccc(cc1)C2=NC(C(=O)C(C)c(c23)cccc3)CC(=O)CCc4ccc(O)cc4 -MOL_01_011351,NCc1ccc(cc1)CC2=C(C)C=NN(C2=C)c3cccc(C)c3C -MOL_01_011352,CCc1ccc(cc1)CC(C)c2nnc(n2C)CCC(=O)Nc3ncccc3C -MOL_01_011353,CCc(c1)cc(N)c(c12)c(C)cc(n2)C(=O)C -MOL_01_011354,CCNc1ccc(cc1)C(N)C2CCN(CC2)CCc3cccc(n3)C -MOL_01_011355,c1ccccc1-c2cc(cnc2)C(CC(=O)O)CC(=O)C3CCCN(C3)C(=O)CCC4CCCCC4 -MOL_01_011356,FC1(F)CCN(CC1)C(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_011357,c1ccncc1C(=N)N(CC2)CC23CC(=N)N(C3)c4cccc(c4)CN -MOL_01_011358,FC(F)(F)c1cnc(nc1NC)Nc2ccn(c23)CC(C)(C)CC3 -MOL_01_011359,Clc1ccccc1-c(cc(c2)CN)c(c23)cc(cc3N)N4CCCCC4 -MOL_01_011360,C=C1CCc(c12)c(C)c(cc2)CCN3CCN(CC3)C(=C)Cc4cncc(c4)-n5cnnn5 -MOL_01_011361,c1ccnc(c12)c(cc(c2)CC)NC(C)CCCNC(O)Nc3ccc(O)cc3 -MOL_01_011362,Cc1cc(Cl)c(cc1CN)Cc2nc(Cl)cn(c2=N)C(C)C3CC3 -MOL_01_011363,CC(C)(C)n1cnc(c1)C(C)c(c2)ccc(c23)CC(N=N3)(C)C -MOL_01_011364,CCc1ccccc1C2N=CC(C=C2C(=O)C)C(=O)Cc3ccccc3 -MOL_01_011365,C1CCCCCC1Cc2nc(nc(c23)cc(ON)c(c3)ON)CCCCN4CCCC4 -MOL_01_011366,Cc1cccc(n1)C(=N)Nc2cccc(c2)C(C)N3CCC(CC3)C(=N)NC4CCCCC4 -MOL_01_011367,CCc1ccc(nc1)-n2nc(C(F)(F)F)cc2CN(N)N -MOL_01_011368,Cc1ccc(cc1)CC(CN)c(nc(c23)cccc3)c(n2)-n4ccnc4 -MOL_01_011369,FC(F)(F)c1cnc(nc1CC)Cc2cc(CN)c(cc2Cl)C(N)CCC(C)(C)O -MOL_01_011370,CC1CCN(CC1)C(N)CCc2ccc(cc2N)CN3CCc(c34)cccc4 -MOL_01_011371,CC1NC(C(=C)C)Cc(c12)cc(N)cc2N -MOL_01_011372,C1CCC(C12)CC(=O)N2c3ccc(cn3)CCc4cncc(F)c4 -MOL_01_011373,CC1CCN(CC1)Cc2cn(c(=O)c(c23)cccc3)CC(=O)N4CC(C)CC(C)C4 -MOL_01_011374,n1cnc(C)c(C(N)C2)c1C23CCCCC3 -MOL_01_011375,NCc(c1)c(CN)cc(c12)nc(nc2C)CN3CCC(CC3)Cc4ccccc4C(F)(F)F -MOL_01_011376,CC(C)(C)NCc1ccccc1-c2ccc(c(F)c2)-c3cnc(N)nc3C(F)(F)F -MOL_01_011377,c1cccc(c12)c(C)nc(n2)CCC(=C)CCC(=C)N(CCCN)c3ccccc3F -MOL_01_011378,CN(C)CCN1CCCc(c12)c(N)cc(n2)N -MOL_01_011379,C=C(N)c(n1)cn(c12)CC(CO2)OCCCc3cccc(c3)-c4ccc(F)cc4 -MOL_01_011380,CC(C)(C)c1ccc(cc1)OCCC(=N)OCC(=N)N(C(C)(C)C(=N)N2)c(c23)cccc3 -MOL_01_011381,NCc1ccc(c(c1)CN)Nc2nccc(n2)Cc3cccc(c34)CCC4=O -MOL_01_011382,C1CCCC1C(=O)c2c(C)n(cn2)-c3cccc(c3)CN -MOL_01_011383,c1cccc(c12)N(CCN)C(=C)N2c3ccc(CN)c(C(F)(F)F)c3 -MOL_01_011384,O=Cc1ccc(cc1)C(C2)=CC(C23)C(=O)c4c(CC3=O)cccc4 -MOL_01_011385,Cc1cccc(c1)C(N2)CC(Cc(c23)cccc3)c4ccc(CN)c(c4)CN -MOL_01_011386,CCc1ccc(nn1)-n2nc(cc2C)C(O)N3CCCCC3 -MOL_01_011387,CCc1cccc(c1)-n2c(nnc2CC(C)C)Cc3cc(O)nc(n3)O -MOL_01_011388,Fc1ccc(cc1)-c2nnc(n2C)CCC(=O)Nc3cccc(c34)cccc4 -MOL_01_011389,c1ccccc1-n2c(nnc2C)CCC(=N)N(C3)CCc(c34)cccc4 -MOL_01_011390,NCCC(=C)c1cnc(c(Cl)c1)N2CCN(CC2)C(=C)CC3CCOOO3 -MOL_01_011391,c1cc(F)cc(c12)OOC2NC(=O)Nc(c3)ccc(c34)OOC(=O)N4 -MOL_01_011392,c1ccccc1NC(=N)Cn(c2=N)nc(c(c23)cccc3)-c4ccccc4 -MOL_01_011393,CC(C)c1nnc(n12)ccc(c2)C(O)Cc(cc34)cc(c3)C=C4 -MOL_01_011394,Cc(n1)nc(C)c(c12)c(C)c(cn2)CNc3ccc(CN)cc3C -MOL_01_011395,Cc1ccc(ON)c(c1)CN2C(=O)C(ON=C2N)Cc3ccccc3 -MOL_01_011396,Cc1c(C)cc(c12)ccc3c2n(c(N)cc3C)CC(N)NCCN(C)C -MOL_01_011397,CC(O)c1cc(ncn1)-c2ccc(c(Cl)c2)CC3CCCC3 -MOL_01_011398,NCc1cc(ccc1)Oc2c(N)c(C)ccc2-c3ccccc3CN4CCCC4CN(C)C -MOL_01_011399,c1cccc(c12)cc(CN)c(n2)CCC(=O)Nc3ccccc3N4CCCCC4 -MOL_01_011400,CC1CCN(CC1)C(N)COc2cccc(c23)C(N)N(CC3)Cc4ccccc4 -MOL_01_011401,Cc1ccc(cn1)CCc2c(ccnc2C)-c3ccc(nc3)C(=N)N(C)CCON -MOL_01_011402,c1ccccc1C2NC(=N)C(=C2O)C(=N)Nc3ccc(cc3)C4CCCCC4 -MOL_01_011403,Nc1cc(O)nc(n12)nnc2CCC(=O)Nc3cccc(c34)cccc4 -MOL_01_011404,CCc1ccc(cc1)N2N=C(C(=O)C)C(N2)c(c3)ccc(c34)CCNCC4 -MOL_01_011405,NC1=NC(N)Cc(c12)c(ccc2O)-c3cccc(Cl)c3 -MOL_01_011406,Cc1ccc(nc1C)Nc2cc(CCCN)ccc2C(=O)N -MOL_01_011407,Cc1ccc(c(C)c1)CC(=O)C2CC(O)CN2C(=O)CCc3ccccc3 -MOL_01_011408,Cc1ccc(CN)c(c1)CC(O)c(c2O)cnc(n23)ccc3C -MOL_01_011409,CC(C)(C)OC(=N)NCCCNc1ccccc1CNc(c2C(=N)O)ccc(c23)CCCC3 -MOL_01_011410,O=C1CC(CC1)C(=O)Cc2nn(C(N)N)c(c2)-c3ccccc3 -MOL_01_011411,c1cccc(c12)CN(C2=N)C(c3ccccc3)C(=N)Nc4ccccc4F -MOL_01_011412,c1cccc(c12)ncn2CC(N)COc3ccc(cc3)-c4cccc(F)c4 -MOL_01_011413,CC(C)N1CCN(CC1)CCCCCCc(c2)ccc(c23)CCC(N3)N -MOL_01_011414,Cc1nnc(n12)ccc(c2)C(O)N(CC3(C)C)CCC3 -MOL_01_011415,CC(C)C(CN)CCc1nc(ccc1N)-c2ccc(N)c(c2)CN -MOL_01_011416,C1CC1C(CC)n2cc(Cl)nc(c2=N)Nc3c(Cl)cc(CN)cc3Cl -MOL_01_011417,Nc1ccc(cc1)-c2nnc(n23)cc(N)nc3N -MOL_01_011418,CC1(C)CC(=O)c(c12)c(ncc2)CCC(O)CCc3ccccc3 -MOL_01_011419,Cc1ccc(cc1)Nc2cc(N)cc(n2)-c3cc(Cl)ccc3CN -MOL_01_011420,CC(O)C1CCN(CC1)C(O)CN2CCc(c23)cccc3 -MOL_01_011421,CCN1CCCCC(C1)NC(=O)c2cc(C)c(N)cc2ON -MOL_01_011422,CCCC(=O)c(c(n1)C)cc(c12)c(C)ncc2 -MOL_01_011423,CC(C)(C)COc1cc(ncc1C)CC(O)C(N=2)=NC(C23)=CC=C3 -MOL_01_011424,Fc1ccc(F)cc1C(C(=O)CC)C(C)C(=O)c2ccccn2 -MOL_01_011425,C=C(O)c1ccc(cc1)-c2nc(CCC3CC3)nc(O)c2CN -MOL_01_011426,c1cccc(c12)C(=O)CC2CC(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F -MOL_01_011427,CC(=O)Nc1ccc(cc1)CC(=O)C(NC(=O)CN)Cc2ccccc2 -MOL_01_011428,NCCc1c(N)nc(n12)c(ccc2)C(N)c3ccccc3 -MOL_01_011429,c1ccccc1C2C(C(N)CCC3)=C3OC(=C24)CCCC4N -MOL_01_011430,O=C(O)c1ccc(cc1)CCc(n2)c(C)cc(c23)cc4c(c3)OCCO4 -MOL_01_011431,OC1CN(CCC1)C(N)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_011432,C=C(C)c1ccc(cc1)CCCCC(=O)c2c(N)nc(n23)cc(N)cc3 -MOL_01_011433,C=C(C)C1CN(CC1C(N)N)C(=C)C2(CCN(C)CC2)c3ccccc3 -MOL_01_011434,COc1cccc(c1)N2CCN(CC2)C3=C(Cl)C(N)N(C3N)c4cccc(c4)OC -MOL_01_011435,NCCC(=C)C(N)Cc1cccc(c12)C(=C)N(C=C2)CC(=C)C3CCC(CC3)C(=C)CCN -MOL_01_011436,NCc1cccc(c1)C2=NCC(CC2)N3CCN(CC3)c4ccccn4 -MOL_01_011437,CCc1ccnc(n1)N2CCN(CC2)C(O)c3cnn(C)c3C4CC4 -MOL_01_011438,CN(C)C(N)C(CC)(CC)NC(N)c1cccc(n1)-c2cccc(Cl)c2 -MOL_01_011439,CCc1cc(N)c(Cl)cc1NC(=O)C2CCN(CC2)Cc3ccc(Cl)cc3 -MOL_01_011440,Cc1cc(C)cc(c1)-n2ccnc2CCC(O)Nc3ccc(C)cc3C -MOL_01_011441,c1cccc(c12)nc(cc2)N3CC(C3)Cc4nccnc4N5CCCCC5 -MOL_01_011442,CCc1cc(ncn1)-c2c(CN)cccc2CN -MOL_01_011443,c1ccccc1N(C(N)CC)C2(C(N)OC)CCN(CC2)CCCCCF -MOL_01_011444,COc1ccccc1CCCC(N)CCC(N)c(c2)ccc(c23)cccc3 -MOL_01_011445,N=C(O)C(C)(C)CNC(=N)c(c1O)nc(CN)c(c12)cc(cc2)Cc3ccccc3Cl -MOL_01_011446,Cc1ccc(cc1)NC(=O)CCc2n(CCCC)c(nn2)CNC(=O)C34CC5CC(C3)CC(C5)C4 -MOL_01_011447,FC(F)(F)c1ccc(cc1)-n(nc2C)c(c23)c4c(cc3N)ccc(Cl)c4 -MOL_01_011448,COc1cc(OC)c(c(c1)OC)C2CC(N=N2)c(c3)ccc(c34)n(C)c5c4cccc5 -MOL_01_011449,NCc1ccc(c(c1)CN)-n2ccnc2CCC(=O)NC3CCCC3 -MOL_01_011450,N=C(N12)c3cc(ccc3)CCc4cc(ccc4)CCc5nn(CC2)c(C1)c5 -MOL_01_011451,c1cccn(c12)nc(O)c2C(=O)Cc3ccc(cc3)Oc4ccccc4 -MOL_01_011452,NCc1cc(ccn1)C(=O)NCc2cc(ncn2)N3CCCCC3 -MOL_01_011453,CCc1cnc(nc1)C(CC2)CCc(c23)cc(c(n3)C(C)C)C(N)CC -MOL_01_011454,CC(=O)c1cccc(c1)NC(=O)c2ccc(cc2)NC(=O)CC3CC(=NC3=O)N4CCCCC4 -MOL_01_011455,CCCc1ccc(cc1)C(=O)NCC(=O)CCC(=O)Nc2ccccc2CC -MOL_01_011456,Cc1nc(C)c(CN)c(n1)-c2cccc(N)c2 -MOL_01_011457,Cc1ccc(cc1)CCCC2(CC(=O)NC2=O)Cc(n3)ccc(c34)cccc4 -MOL_01_011458,CCCc1ncccc1C(=O)CCC(=O)Nc2ncc(C(F)(F)F)cc2Cl -MOL_01_011459,c1cc(O)ccc1C2(c(cc3)ccc3O)C(N)Cc(c24)ccc(c4)-c5ccncc5 -MOL_01_011460,NCc(c1)c(CN)cc(c12)CCN(C(C)NCC)C2CCc3ccc(C)cc3 -MOL_01_011461,O=C1NC(=O)CC1Cc2c(CC)c(ccc2)C(=O)NCc3ccc(C(F)(F)F)cc3 -MOL_01_011462,N1CCCCC1CC(N)c(c(c23)cc(ON)c(F)c2)cc(c3)-c4ccc(F)c(F)c4 -MOL_01_011463,Fc1cccc(c1)CC2CCN(CC2)c3ccc(nn3)Nc4cccnc4 -MOL_01_011464,c1ccncc1C(CC(=C)C)NC(=C)CC2CCCN(C2=C)CCC3CCNCC3 -MOL_01_011465,Fc1cc(ccc1)CCc2nc(C)cn(c23)cc(c3)C(N)N4CCOCC4 -MOL_01_011466,NCc1ccn(c12)c(ccn2)Nc3cccc(c34)cccn4 -MOL_01_011467,Fc1ccc(cc1)CCC(N)c2c(C)n(c(c2)N)Cc3ccccc3F -MOL_01_011468,Cc1ccc(cc1C)NC(=O)Cn2c(=O)ccc(c23)cc(cc3)CN4CCCC4 -MOL_01_011469,CCc1ccccc1N2CCN(CC2)C(N)c3ccnc(c3)N(C)C -MOL_01_011470,Nc1cccc(c12)nc3c(c2C)NNCC3 -MOL_01_011471,CC(=O)C1CC1C(=O)c2ccc(cc2CN)N(CC3CC3)Cc4ccc(Cl)cc4 -MOL_01_011472,NCc(c1)ccc(c12)c(ccn2)NCn3cnc(c3)CC(N)N4CCOCC4 -MOL_01_011473,c1ccncc1C2C(CN)=C(N)Cc(c23)cc4c(c3)cccc4 -MOL_01_011474,CCCC(N)N1CCN(CC1)C(c2cccnc2)c(c3C)ccc(c34)cccn4 -MOL_01_011475,C1CC1CC(=O)CCc2n(C)c(nn2)-c3cccc(c3)CCN -MOL_01_011476,c1cc(F)ccc1CC(C(N)c(c23)cccc2)=C(C3N)C4CCC(C)CC4 -MOL_01_011477,NCc1cncc(n1)Oc2ccc(cc2)CC3CCN(C3)c4cncc(n4)CN -MOL_01_011478,Cc1ccc(cc1)CCn2ccnc2C(c3ccc(C)cc3)N4CCN(CC4)c5ncccn5 -MOL_01_011479,c1ccccc1C(=O)NC(C2N3CCNCC3)c4cccc(c4c25)ccc5 -MOL_01_011480,C=C(O)c1cc(C)n(n1)CCCC(O)Nc2c(C)nn(c2C)Cc3ccccc3 -MOL_01_011481,CCc1nc(C)nc(C)c1-c2ccc(C(=C)O)c(c2)NCc3ccccc3 -MOL_01_011482,O=C1CCC(=O)N1c2ccc(cc2C)CC(=O)c3ccccc3F -MOL_01_011483,NCC1=C(C)CC(=O)C1(C(F)(F)F)Cc2ccc(Cl)cn2 -MOL_01_011484,NC(N)C(CC1)Cc(c12)c(nn2C)Cc3cccc(N)c3 -MOL_01_011485,CCCc(c(c1)CN)cc(c12)c(cnc2)Cc(c3)cnc(c34)cccc4 -MOL_01_011486,NCc(c1)c(CN)cc(c12)nc(nc2C)N3CCC(CC3)C(O)C4CCCCC4 -MOL_01_011487,CC(C)N1CCC(CC1)Cc2cc(ccc2CN)C(=O)NCCN3CCCC3 -MOL_01_011488,c1cccc(c12)c(=O)n(C)c3c(c2=O)ccc(c3)C(=O)Nc4ccc(CN)cc4 -MOL_01_011489,C1CCCN1C(=C)C2CCN(CC2)c(n3)nc(C)c(c34)cc(CN)c(c4)CN -MOL_01_011490,O=C(O)c(c1)ccc(c12)n3c(ccc3)c(n2)Cc4cccc(Cl)c4 -MOL_01_011491,NCc1cc(cc(c1)CN)CN(C)C2CCCC2c3ccc(F)cc3 -MOL_01_011492,Cc1ccc(C(C)O)c(c12)ccc(n2)C(O)CC3CCCCC3 -MOL_01_011493,C1CCCCCN1C2=C(Cl)C(O)N(C2O)c3ccc(Cl)cc3 -MOL_01_011494,c1ccccc1C2=CN(CC(=N)NC)C(=N)C23CCN(CC3)C4CCCCCC4 -MOL_01_011495,NCCCc1nc(O)c(CN)c(n1)-c2ccc(CN)cc2 -MOL_01_011496,COCCCC(N)OC(CC1)CCC1(c2ccccc2)CCC(N)c3ccccc3OC -MOL_01_011497,Cc1cccc(c1C)NC(N)CCC(N)CCc2ccc(cc2)CN3CCCCC3 -MOL_01_011498,C1CCC(N)=NC1(C)c2cc(ccc2F)Nc3ccccc3CCC(F)F -MOL_01_011499,C1CCCCc(c12)cc(C(C)N)c(c2)NC(N)CCc3ccccc3 -MOL_01_011500,CCc1cccc(c12)CN=C2NCC3(c4ccccc4)CCC(CC3)NC(=O)NCN -MOL_01_011501,Cc1c(C)cn(c12)c(cc(n2)CC)NC3CCC(N)CC3 -MOL_01_011502,Cc1cc(N)nc(n12)c(CN)c(c2)C3CCCCC3 -MOL_01_011503,CCN(CC)c1c(c(=N)c1=N)NC(C(=N)O)Cc2ccc(cc2)-c3c(OC)cccc3OC -MOL_01_011504,c1ccccc1CC(C(=N)ON)NC(=N)C2(c3ccccc3)c(cccc4)c4c(c25)cccc5 -MOL_01_011505,c1ccccc1CN(C)C(N)Cc2cn(cn2)CNc3ccnc(c34)cc(Cl)cc4 -MOL_01_011506,Cc1ccn(c(=O)c1)C(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_011507,Cc1ccc(c(C)c1)NCc2nnc(o2)CCC(=N)N3CCCc(c34)cccc4 -MOL_01_011508,c1cccc(c12)nc(N)cc2C(=C)Nc3cccc(N)c3N -MOL_01_011509,Cc(n1)cc(C)n(c12)cc(n2)C(=O)Nc3ccccc3N4CCCCC4 -MOL_01_011510,NCCC(=O)CCN(C1)CNc(n12)ncc2-c3ccccc3 -MOL_01_011511,CCc1cccc(c1)-n2c(C)nnc2CCC(O)Nc3ccccc3N4CCCCC4 -MOL_01_011512,NCc1c(CN)ccc(c12)C(C3=C(C2)CCC3=C)c4cc(CN)cc(c4)CN -MOL_01_011513,CCCCC(=O)c1ccc(cc1)-n2ccnc2CCC(=O)N3CCCCC3 -MOL_01_011514,NCc1c(CN)cc(cc1CN)C(C2)C2(C(=C)CCC)C(=C)NCCc3cccc(F)c3 -MOL_01_011515,c1cccnc1Cn(n2)cc(c23)CCCC3CNCC4CCCCC4 -MOL_01_011516,CCN(CC)C(N=1)=CC(=N)C(C12)=C3C(=C2)CN(CC3)Cc4ccccc4 -MOL_01_011517,c1cccc(c12)C(=N)CC2N(C)C3CCC(=N)c(c34)cccc4 -MOL_01_011518,c1cccc(c12)c(nnc2N)Cc3cccc(c3)C(N)N4CCN(CC4)c5ncccn5 -MOL_01_011519,CCCC(O)c1cc(CN)c(C)nc1N(CC)CC -MOL_01_011520,NCc1ccc(nc1N)C(N)Cc2ccc(c(F)c2)C3CCCNO3 -MOL_01_011521,c1cccc(c12)nc3c(n2)N(CN3CCCN)Cc4ccccc4 -MOL_01_011522,NCc1ccc(N)cc1Nc2nn(C)c(c2)-c3c(cccc4)c4cc(c35)cccc5 -MOL_01_011523,c1cccnc1CNC(=C)c2nccnc2NCC(=C)N3CCC(CC3)Cc4ccccc4C -MOL_01_011524,Fc(c1)ccc(c12)nc(cc2N)CCCC(N)Nc3ccccc3Cl -MOL_01_011525,n1cnn(c12)c(cc(n2)C)CCc3ccc(CN)cc3CN -MOL_01_011526,CCNc1nc(ON)c(cc1C)C(=O)NC2CN(C)CCN(C2)CC -MOL_01_011527,Cc1nc(N)c(CN)c(c1C(C)C)Cc2nccn2C -MOL_01_011528,C=C(N)c(n1)cn(c12)CC(CO2)OCc3cccc(c3)-c(c4)ccc(c45)cccc5 -MOL_01_011529,Cc1ccc(cc1)Nc2nnc(n23)Cc4c(C3)cc(C)c(Cl)c4 -MOL_01_011530,Cc(c1)ccc(c12)OCCN2C(=N)CCC(=N)N3CCN(CC3)c4ccc(ON)cc4 -MOL_01_011531,NCC1CCN(CC1)C(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_011532,Cc1ccc(c(c1)CN)Oc2ccc(Cl)cc2-c3ccnn3C -MOL_01_011533,Cc1ccc(cc1)C(=N)c(c2C)cnc(c23)c(N)cc(c3)N -MOL_01_011534,NCCC(C)n1c(C)c(cc1C)C(=O)CCC(=O)c2cccn2C -MOL_01_011535,CN(C)c1ccc(cn1)-c2cccc(c2)CNc3ccccc3CN -MOL_01_011536,C1CCCCC1NC(=O)CCc2n(CC)c(cc2)CC(=O)Nc3ccccc3F -MOL_01_011537,c1ccccc1CC2CNC(=N)C(=N)N2CC3CCN(CC3)CCc4ccccc4 -MOL_01_011538,Nc1nnc(n12)CCCc3c2ccc(c3)CCc4ccccc4F -MOL_01_011539,CC(=O)Nc1ccccc1CCC(=O)NC2CCCCC2C -MOL_01_011540,CCN(CC)C(N)CCNC(N)c(n1)ccc(c12)cc(cc2)Oc3ccc(cn3)C(C)(C)C -MOL_01_011541,CCc1cnc(C)n1C(C2)CCc(c23)c(N)cc(c3)N -MOL_01_011542,c1ccccc1CCNC(=O)CCC(=O)c2ccc(Cl)c(c2)CN3CCCCC3 -MOL_01_011543,OCCNC(=N)c(c1)ccc(c12)CCc3c(C2=N)ccc(c3)Nc4ccc(F)c(c4)NC(=N)C5CC5 -MOL_01_011544,C1CC1C(CC)NC(=O)c2cnc(N(C3)CC3(F)F)c(n2)CCC4CC4 -MOL_01_011545,C1CCCC12CC(=O)N(C2=O)CC(=O)N(CC)CC(=O)Cc3cc(Cl)ccc3C -MOL_01_011546,CC(=O)c1cc(C)ccc1CCC(=O)Nc2ccccc2C(=O)C -MOL_01_011547,C1CNCCN1C(=O)C(CCC(=O)C)n2cnc(c2)C(C)CC(C)C -MOL_01_011548,CCc1cccc(c12)c(ccc2N)-c3ccc(N)c(c34)C=NCC4 -MOL_01_011549,Cc1cccc(c1)NC(=O)CCC(=O)c2ccc(C)c(c2)CN3CCCCC3 -MOL_01_011550,Cc1ccc(cc1)-n2c(CCC(N)N)nnc2Cc3cccn3C -MOL_01_011551,CC(C)c1cc(ncn1)CCc2cnc(n23)CCC(CC3)CCCN -MOL_01_011552,Cc1ccnc(c1)N2C(N)CCC2C34CC5CC(C3)CC(C5)C4 -MOL_01_011553,C1CCC1c2c(CN)c(F)c(cc2)-c3ccc(N)nc3 -MOL_01_011554,Clc1cc(ccc1)-c2cnc(C)c(n2)C(N)Cc3ccccc3 -MOL_01_011555,c1ccccc1C2(CCCCO)CC(N)C(=C(O2)O)CCc3ccccc3 -MOL_01_011556,CN1CCN(CC1)CCCNC(=N)c(c2)ccc(c23)CCCN3Cc4ccccc4 -MOL_01_011557,c1ccccc1C2(c3ccccc3)NC(=N)N(C2=N)CCNc4ccc(Cl)cc4 -MOL_01_011558,CCCC(=O)c(c1C)cnc(c12)c(CC=O)ccc2 -MOL_01_011559,CCCC(=O)c(c1C)cnc(c12)cc(cc2)C3CCC(=O)C3 -MOL_01_011560,Cc1ccc(C)c(c1)C(=O)N2CCC(CC2)n3cccc3C(=O)CN -MOL_01_011561,CCCCCCCCn1c(cccc2)c2c(c13)cc(CN)c(c3)CCC(N)CN -MOL_01_011562,Cc(n1)cc(C(F)F)n(c12)cc(n2)C(=C)Nc3ccccc3CC -MOL_01_011563,Nc1cccc(N)c1-n2ccnc2CCc3ccccc3Cl -MOL_01_011564,C1CC1CC(N)Nc(c2)ccc(c23)CCc4c(cccc4)N3C(N)Cn5cccc5 -MOL_01_011565,CCCCn1cc(CN)c(c12)cncn2 -MOL_01_011566,CC(C)CC(C(=O)O)CC(=O)Cn1ccc(c12)cc(cc2)-c3cccnc3 -MOL_01_011567,c1ccccc1C(N(C)C2(C)C)C(CCC(=O)NC(C)C)=C2CCC(=O)NC(C)C -MOL_01_011568,Cn1ccc(c12)c(ccc2)C(N)N3CCN(CC3)C(N)C4CCCC4 -MOL_01_011569,c1cccnc1-c2ncc(CN)c(n2)C3CCCCC3 -MOL_01_011570,NOc1ccccc1C(c2nccn2C(C)(C)C)N3CCN(CC3)Cc4ccccc4 -MOL_01_011571,c1cccnc1CCN(C)C(N)c2cnn(c2N)-c3ccc(Cl)cc3N -MOL_01_011572,CN(C)CCCCCC(=N)c1cccn(c12)c(=N)c3c(n2)cc4c(c3)cccc4 -MOL_01_011573,Cc1cncc(C)c1CC(=O)c2ccc(ON)c(c2ON)OC3CCCC3 -MOL_01_011574,Cc1ccc(cc1C)NC(=N)C2(CC2(N)N)c3ccccc3 -MOL_01_011575,C1CCCCC1Nc2ccc(C)c(c2)C3(N)N=C(N)CCCC3C -MOL_01_011576,CCCNNC1(C2CC2)CC(O)Cc(c13)ccc(c3)N -MOL_01_011577,Nc1cncc(c1)C(O)N(CC23CCCCC3)Cc4c(C2)cccc4 -MOL_01_011578,Cc1cc(CN)c(cc1Cl)C(=O)CCCN2CCN(CC2)c3ccncc3 -MOL_01_011579,Cc1ccc(cc1C)NC(=N)C(c2ccccc2)NC(=N)C(NC3)Cc(c34)cccc4 -MOL_01_011580,CCN(CC)C(N)c(c(n1)C)cc(c12)c(N)c3c(c2)ccc(F)c3 -MOL_01_011581,CCc1ccccc1N(CN2CCCC2=O)C(=O)CCc3ccccc3 -MOL_01_011582,C1CC1c2nnc(n2C)CCC(O)N3CCc(c34)cccc4 -MOL_01_011583,NC(=O)c1c(F)ccc(c1F)CCCn2cnc(c23)cccc3 -MOL_01_011584,c1ccnc(c12)ccc(c2)C(N)N(CC3)CCC34CC(N)N(C4)c5ccc(C(F)(F)F)cc5 -MOL_01_011585,CC(C)CC(=O)c1cc(c(F)cc1Cl)C(C2=O)C(=O)C(=C23)CCCC3 -MOL_01_011586,Cc1cccc(c1)Cc2cn(CCN)c(c23)cccn3 -MOL_01_011587,Nc1ccc(cc1)-c2cccc(c2)OCC(N)CC(C3)CCc(c34)cccc4 -MOL_01_011588,Cc1cc(F)ccc1C(=N)N(CCN2C)CC23CCC(=N)N(C)CC3 -MOL_01_011589,Nc1ccc(cc1)-c2cn(cn2)-c3cncc(c34)cccc4 -MOL_01_011590,CCCN(C1=O)C(=O)N=C(C1=2)N=C(N2)C3CCCC3 -MOL_01_011591,c1ccccc1CC(C(N)O)Nc(n2)cc(O)c(c23)cccc3 -MOL_01_011592,C1CCC(N)=NC1(C)c2cc(CCN)cc(c2)NC(=O)c3ccc(F)cc3 -MOL_01_011593,CCCC(=O)c(c1C)cnc(c12)c(C(N)(N)N)ccc2 -MOL_01_011594,Nc1ccc(nc1)-c2ccc(cc2)C3(C(N)(N)N)CC3 -MOL_01_011595,CC(=O)Nc1ccc(cc1)Cc2nc(-c3ccccn3)nc(c24)cccc4 -MOL_01_011596,Cn1ccnc1-c2cn(nn2)CCC3CC(=O)CC(C3)c4ccc(CN)cc4 -MOL_01_011597,c1ccccc1CC(=O)Nc2cc(C(=O)C)c(cc2)CCC(C)CNC(C)C -MOL_01_011598,O=C(C=1)C=Cc(c12)c(c=3c(c2CN)C=CC3)CN4CCCCC4 -MOL_01_011599,CCc1c(Cl)nc(NC)n1Cc2ccc(cc2)-c3ccccc3C(C)N -MOL_01_011600,CCCCCCCCCCn(n1)cc(c12)c(ncn2)CC(C)N -MOL_01_011601,C=C(C)CCC(C(=C)C)NC(=C)CCNC(=C)CC(C=1)=Nc(c12)nc(N)nc2=C -MOL_01_011602,c1ccc(n12)nc(C)c(c2O)C(O)Cc3ccccc3F -MOL_01_011603,CCCc1ccc(c(c12)cccn2)CNCc3ccc(CN)cc3 -MOL_01_011604,Cc1cc(Cl)ccc1OC(C)C(N)Cc2ccccc2C3CCOCC3 -MOL_01_011605,CC1CC(CC)Cc(c12)cc3c(c2)c(C(N)(N)N)cc(n3)N -MOL_01_011606,Cc1ccc(nc1)C2CC2CCc3cc(c(=O)n(n3)C)NCc4cnn(C)c4 -MOL_01_011607,FCCN1CCN(CC1)C2(C(O)CC(O)CC2O)c3ccc(cc3)Cc4ccccc4 -MOL_01_011608,CCn1nc(C)cc1C(N)CCC(CC2)OC23CCN(CC3)Cc4ccccc4F -MOL_01_011609,Cc1ccc(Cl)cc1N2CCN(CC2)C(=N)Cn(c3=N)ccc(c34)cccc4 -MOL_01_011610,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccccc3CNCC(C)C -MOL_01_011611,Cc(n1)ccc(c12)ccc(c2)CCCCCc3cnccc3ON -MOL_01_011612,Cc1cn(cn1)-c2ccc(cc2CC)Cc3ccc(cc3CN)CNc4ccc(F)cn4 -MOL_01_011613,Nc1ccc(cc1)-c2nccc(n2)CC3CN(C3)c(n4)ccc(c45)cccc5 -MOL_01_011614,c1cccc(c12)cc(O)n2Cc3nnc(n3C)CCC(O)Nc4ccccc4 -MOL_01_011615,CC(C)Cc1cc(ncc1C(C)O)-c2ccnc(c2)CC(O)C3CC3 -MOL_01_011616,N1=NN(C)C(=C)c(c12)cc3c(c2)C(=C)N(N=N3)C(C)Cn4cnnn4 -MOL_01_011617,C=C(O)c1ccc(=O)n(c1)CC(=O)C(C(C)C2)c(c23)cccc3 -MOL_01_011618,CC(=O)c1nnc(nn1)-c2nc(ccc2C)-c3ccnnn3 -MOL_01_011619,Cc(c1)ccc(c12)CCC(N)N2CC(N)NC3CCC(C)CC3 -MOL_01_011620,Cc(n1)c(C)nc(c12)C(N)C=C(C2N)Nc3cc(F)c(F)c(F)c3 -MOL_01_011621,CC(=O)Nc1ccc(cc1)CCC(CC(C)C)N2CCN(CC(C)C)CCC2=O -MOL_01_011622,CC(=O)C(=C)CC1=C(C)N=C(C(=O)C2(C)C)C1=C(C)C23CC3 -MOL_01_011623,CNc1cncc(n1)-c2cc(CN)ccc2CN -MOL_01_011624,n1cc(N)cc(c12)CCC(C2)(C)c3ccc(N)c(N)c3 -MOL_01_011625,CNC(C)C(N)Nc1cc(-c2ccc(C(F)(F)F)nc2)cc(n1)CCc3ccccc3 -MOL_01_011626,NCc1ccc(cc1)NC(=C)CN(C)C(=C)c2c(C)nn(c2C)Cc3ccc(C)cc3 -MOL_01_011627,CCOC(=O)C1C(C)=NC(=O)N=C1c2ccco2 -MOL_01_011628,c1ccccc1N(C(C)C)C(O)CCC(O)Cn2cnc(c23)cccc3 -MOL_01_011629,NCc1nc(N)nc(N)c1CCCc2cc(O)cc(c2)-c3ccncc3 -MOL_01_011630,CCc1ccc(cc1)CC(=N)NCc(c2)ccc(c23)N(CC3)C(C)=N -MOL_01_011631,CCCCc1nc(Cl)c(CN)n1CC(N)c2ccccc2 -MOL_01_011632,c1cccnc1N2CCN(CC2)C(=N)CCCN(C3=N)C(=N)c(c34)cccc4 -MOL_01_011633,CNc(c1)ccc(c12)nc(c3n2cnc3)Cc4ccc(F)cc4C -MOL_01_011634,Cc1cccc(c1)-n2cnc(c2N)C(O)Nc3ccc(F)cc3 -MOL_01_011635,NCCc(n1)cc(N)c(c12)cccc2CCN -MOL_01_011636,n1cccnc1NC(O)c2ccc(CC)c(c2)Nc3nccc(n3)-c4cccnc4 -MOL_01_011637,NCc(c1)c(CN)cc(c12)nc(nc2C)N3CCC(CC3)C(=O)C4CCCC4 -MOL_01_011638,Cc1cccc(c1)C2CCC(C2)NC(=N)Nc(c3)ccc(c34)CCC(=N)N4C -MOL_01_011639,n1cn(C)c(c12)ncnc2C(C)c3ccccc3 -MOL_01_011640,C1CCCCCN1C(c2cccn2C)CNC(=N)c3cc(N)ccc3N -MOL_01_011641,Cn1ccc(c12)cc(cc2)C(N)Cc3cccnc3 -MOL_01_011642,CCCCc1nnc(n1C)CCc(n2)cc(N)c(c23)cc(cc3)C(N)CCC -MOL_01_011643,NOc1cc(ON)c(cc1C)N(C)Cc2cccc(c2)C(=O)OCc3c(C)noc3C -MOL_01_011644,NCC(=C)Nc1cc(CN)c(cc1C)C(=C)NC2CCN(C2)Cc3ccccc3 -MOL_01_011645,NCc1ccc(cc1)C2=NC(=C)N(CC3CC3)N=C2c4ccc(CN)cc4 -MOL_01_011646,CCN1CCN(CC1)c(n2)nc(n(c23)ccc3CN)Nc4ccccc4 -MOL_01_011647,C=C(C)c1ccc(C)c(c1)C(=C)NC2CN(C2)Cc3cnn(c34)ccc(c4)CN -MOL_01_011648,CC(C1)CCC(C1=2)=C3C(C2)=NC(=NC3=O)Cc4ccccc4 -MOL_01_011649,CCCc1ccc(cc1)CC(=O)Nc2ccc(c(C)c2)C(C)(C)C(=O)Nc3cc(CN)ccn3 -MOL_01_011650,Cc(n1)nc(C)c(c12)nc([nH]2)-c3cccnc3 -MOL_01_011651,c1cccc(c12)CCN(C2)CC(C)CNC(=O)CCc3cccc(c34)nn(c4)C -MOL_01_011652,Cc1ncc(Cl)cc1C(N)CC2CCC(CC2)Cn3nc(C)c(Cl)c3C -MOL_01_011653,NC(N)Cc1ccc(cc1)NC(N)C(C)c(c2)ccc(c23)cc(cc3)NCc(n4)ccc(c45)cccc5 -MOL_01_011654,Cc1nc(C)nc(C)c1CN(c2cc(C)cc(c2)C)CC(=O)Nc3cc(C)ccc3C -MOL_01_011655,Cc1cc(Cl)cc(c1)NC(N)c2ccc(C)c(c2)CCc(c3)cnc(n34)ccn4 -MOL_01_011656,c1c(N)ccc(c(=O)n2C)c1n(c23)ccc3 -MOL_01_011657,NCc1cc(ccc1)CC(=C)c2nn(C)c(c23)c4c(cc3)cccc4 -MOL_01_011658,CCCCC(N)c(c1N)cnc(c12)ccc(c2)Cc3ccncc3 -MOL_01_011659,Cc1cccc(n12)cnc2-c3ccccc3CCCN -MOL_01_011660,c1cccc(c12)cccc2C(=O)NCc3nnc(CCC4CCCO4)n3Cc5ccccc5 -MOL_01_011661,NCc1c(F)cc(cc1)CCc2n(CCCN)c(nn2)-c3ccncc3 -MOL_01_011662,CC(O)c(c1)c(C)nc(c12)cc3c(c2O)cc(cc3)CCC4CCC4 -MOL_01_011663,CCCc1cccc(n1)N2CC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_011664,COCCOCCOc1ccnc(c1O)C(=N2)CCC2(C)C(=O)O -MOL_01_011665,C=C(O)c(n1)cn(c12)CC(C2)(C)CCc3ccc(C(F)(F)F)nn3 -MOL_01_011666,C1CCCN1C2=C(Cl)C(O)N(C2O)c3ccc(F)cc3 -MOL_01_011667,Fc1cc(Cl)ccc1NC(=O)C2CCCN(C2)C3=NCc(c34)cccc4 -MOL_01_011668,Cc1ccccc1CN2CCN(CC2)c3ccc(nn3)C(CO)(CO)CCc4ccc(F)cc4 -MOL_01_011669,NCc1cccc(c12)c(cc(n2)C)-c3ccncc3 -MOL_01_011670,O=C1CCC(N1)C(=O)NCc2cccnc2Cc3ccc(F)cc3F -MOL_01_011671,CC(C)Cc1ccc(cc1)C(C)C(=N)C2c(cccc3N)c3C(=N)c(c24)c(N)ccc4 -MOL_01_011672,C1CCCCC1N(C)C(=N)c2cccc(c2)N(C3=N)C(=N)C(C34)CC=CC4 -MOL_01_011673,Cc1nc(C)c(CNN)c(n1)-c2ccccc2 -MOL_01_011674,Cc1ccccc1CN(C2)CC(C23)CCC(=O)N3Cc4nccn4C -MOL_01_011675,CCc1ccc(cc1)C(N)(CC(C)C)C(c2ccccc2)CN3CCNCC3 -MOL_01_011676,CCCC(O)CCc1cnc(C)c(c12)cc(O)c(c2)C(O)Cc3ccccc3 -MOL_01_011677,c1ccccc1C2(NC(=O)C)CCN(CC2)Cc3nccn3C(C)(C)C -MOL_01_011678,NCc1ccc(cc1)C(=C)NCc(c2)ccc(c23)N(CC3)C(=C)CN -MOL_01_011679,NCc1ccc(cc1)C2CC(c3ccccc3)Cc(c24)c(N)ccc4C(N)N -MOL_01_011680,CCC(=O)CCC(=O)C1(CC(C)C)N=NCN1C(=O)c2ccccc2 -MOL_01_011681,NCc1ccc(cc1)Cc(c2)cc(n23)nc4c(c3N)cccc4 -MOL_01_011682,Cn1cc(cn1)CN2CCCC(C2)C(=O)Nc3ccccc3Cc4cccnc4 -MOL_01_011683,COc1ccccc1CCC(N)c2c(ccnc2C)-c3ccccc3 -MOL_01_011684,Clc1ccc(cc1)CNC(=N)C2(C)CCN2C(=N)C3(CC3)c4ccc(Cl)cc4 -MOL_01_011685,c1cccc(c12)nc(c(c2)CN)CCC(=N)Nc3ccccc3N4CCOCC4 -MOL_01_011686,NCc1cc(cc(n1)CN)C(=O)Nc2ccc(cc2F)C3CCCNC3 -MOL_01_011687,C=C(C)c1cnn(c1)C(C)C(O)NCc2cc(C)nc(c23)cccc3 -MOL_01_011688,NCc(cc1)n(c12)c3c(ccc(F)c3)nc2CC(C)C -MOL_01_011689,CCCCC(CCC)Cc1nc(N)nc(c12)ccc(c2)CN -MOL_01_011690,CC(=C1)CCCC1(C)c2cc(CCC(C)C)c(N)cc2N -MOL_01_011691,CC(=N)c1cccc(c12)c(ncn2)CCC3NCCCN3 -MOL_01_011692,C1CCCCN1C(CN)(CCCN)c2cccnc2 -MOL_01_011693,COc1ccc(OC)c(c1)CCNC(N)Cn2cccc2C(N)c3ccccc3C -MOL_01_011694,Cn1nc(N)c(c12)nc(nc2C)Cc3ccccc3 -MOL_01_011695,Nc1ccccc1-n2nc(N)cc2Cc3ncc(Cl)cc3Cl -MOL_01_011696,CC(C)c1ccc(cc1)-n2cc(C)c(n2)C(O)N3CCC(C(N)O)CC3 -MOL_01_011697,CCNc(c1)ccc(c12)CCN(C2)C(N)Cc3ccc(C)nc3 -MOL_01_011698,Cc1cc(C)n(n1)C(N)c2cc(ccc2N)-c3ccc(F)cc3F -MOL_01_011699,C1CC1C(=N)c2cc(CN)c(n23)ccc4c3cccc4 -MOL_01_011700,CNC1CCCN1c2cc(ncn2)CCc3cccnc3 -MOL_01_011701,c1cnccc1NC(=O)C2CCN(CC2)Cc3ccccc3C(F)(F)F -MOL_01_011702,NCc1ccccc1-c2cc(ncn2)Cc3ccc(F)cc3 -MOL_01_011703,CC(C)CC(O)c(c1O)cnc(c12)cc(cc2)Cc3ccccc3 -MOL_01_011704,Cc(c1)cc(O)c(c12)C(C(=C(C2)C)CN)c3ccccc3 -MOL_01_011705,Cc1ccc(C)c(c1)C(N)Nc(c2)ccc(c23)N(C(N)CC3)Cc4ccccc4 -MOL_01_011706,CCn1cc(cn1)CN(CC)C(N)CN(C(N)CC2)c(c23)cccc3 -MOL_01_011707,C=C(C)c1ccc(c(C)c1)NC(=C)C(C)c(c2)ccc(c23)C(N)(N)CCC3(N)N -MOL_01_011708,Cc1ccc(cc1)NC(N)CCC(N)C2(CCCC2)c3ccc(Cl)cc3 -MOL_01_011709,c1cccc(c12)C(=N)N(C2=N)Cc3ccc(cc3)CCN4CCN(CC4)c5ccccn5 -MOL_01_011710,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(c3Cl)CC(C)C -MOL_01_011711,C1CCCC(N12)CN(C2N)c3ccc(cn3)CCc4cccnc4 -MOL_01_011712,NCc1ccccc1CN(C(=N)CC)c2cccnc2Cc3ccccc3 -MOL_01_011713,N=C(O)c1ccc(cc1)CNC(=N)C(C)c2ccccc2N3CCCCC3 -MOL_01_011714,CC(=O)c1ccc(cc1)C2CCC(CC2)C(=O)c3cnn(c34)CCCO4 -MOL_01_011715,CC(=O)c1cnc(nc1C)CCCN(C2=O)C(=O)c(c23)cccc3 -MOL_01_011716,Cc1c(C(C)C)c(O)cn1C(O)C(C)c2ccc(Cl)cc2 -MOL_01_011717,c1ccnnc1C(=O)Nc2cncc(n2)Cc3cncc(F)c3 -MOL_01_011718,Cn1cccc(c12)c(=N)nc(c2)-c3ccccc3 -MOL_01_011719,Cc1ccc(cc1)CNC(=O)CCc(n2)ccc(n23)nnc3CCNC(=O)c4ccc(C)cc4 -MOL_01_011720,Cc(n1)nc(C)c(c12)C(CC(C2)C)c3ccc(N)cc3 -MOL_01_011721,c1cccnc1-c2ccc(nn2)CCc(n3)ccc(c34)cccc4 -MOL_01_011722,Cc1ccccc1N(CC(=C)NCCCN)C(=C)Cn2cnc(c23)cccc3 -MOL_01_011723,NCCC(O)c1cnn(c1C(F)(F)F)-c2ccc(cc2)CCc3ccc(Cl)cc3 -MOL_01_011724,Cc1cccc(c1)N(C2O)C(O)Cc(c23)cccc3 -MOL_01_011725,CCC(=O)c(c1CC)ccc(n12)c(cc2)C(=O)N -MOL_01_011726,O=C(C)c(n1)nc(C)c(c12)cc3c(n2)cc(c(c3)C)CN -MOL_01_011727,Clc(c1)ccc(c12)CC(=O)CC2(OC)CCC(=O)Cc3ccc(F)cc3 -MOL_01_011728,Cc1ncccc1C(=C)N2CCCN(CC2)c3cccnn3 -MOL_01_011729,NCc1ccc(cc1)-c2ccc(cc2F)N3CC(CC3=O)Cn4cc(O)nn4 -MOL_01_011730,c1cc(Cl)ccc1-c(c(c23)cccc2)nn(c3=N)CC(=N)CC -MOL_01_011731,c1n(C)cc(c12)CN(C(=O)CCN)CC2CCc3cccnc3 -MOL_01_011732,Cc1ccccc1NC(N)c2c(C)nc(C)c(CN)c2-c3ccc(Cl)cc3 -MOL_01_011733,CCc1cccc(c1)CCCC(N)Cc(n2)cc(N)c(c23)cccc3 -MOL_01_011734,c1ccccc1-c2nc(nc(O)c2CN)CCc3c(Cl)cccc3Cl -MOL_01_011735,Fc1ccc(cc1)C(=N)c(cc(c23)cn(O)cc3)c2-c4ccc(F)cc4 -MOL_01_011736,C=C(O)c1cccc(c1C)C(=O)CCc2cc(C)nc(c23)cccc3 -MOL_01_011737,CNC(=O)c1cccc(c1)NC(=O)N2CCC(CC2)Cc3c(F)cccc3Cl -MOL_01_011738,NCc1ccc(cc1)C(O)N(CC2)CCC23CN(C3)c4ccncc4 -MOL_01_011739,Cc1cnc(cn1)CCc2cc(ncn2)-c3cccc(c3)CN -MOL_01_011740,Cc1nc(CN)ccc1Cc2ncnc(c2C)CC3CCN(CC3)C(F)CC(C)C -MOL_01_011741,Cc(n1)cc(C)n(c12)c(nn2)CC(C)C(O)NC3(CN)CCCCC3 -MOL_01_011742,CN(C)CCCCc1cc(C(O)Nc2cccc(F)c2)n(n1)Cc3ccccc3 -MOL_01_011743,CCCc(c1)ccc(c12)cc(CN)c(n2)CCC(N)NC(C)CC -MOL_01_011744,C1CC1N2C(C)C(=N)N(C)c(c23)ccc(c3)C(=N)CC4CCCC4 -MOL_01_011745,Nc1ccc(cc1)C(C)c(nc2N)cc(c23)nccc3 -MOL_01_011746,c1cccc(c12)c3c(cc2)c(nn3C)C(=O)Cc4ccccc4CN -MOL_01_011747,CC(=O)c1ccc(cc1C)-n2cc(CN)c(c2)-c3c(F)cccc3F -MOL_01_011748,C1CCCCN1C(=O)CCc2cccc(c23)C(=O)N(CC3)Cc4ccc(Cl)cc4 -MOL_01_011749,Cn1nc(C)c(c1CC)C2CCCC2C(=O)c3ccc(C)nc3 -MOL_01_011750,c1ccccc1C(C)Cc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_011751,O=C1NC(O)CC1Cc2cc(C)c(cc2)OCCC3CCCCC3 -MOL_01_011752,Cc1ccc(cc1C)CCNC(=O)C(N)Cc2ccc(C)c(C)c2 -MOL_01_011753,Fc1ccc(cc1)NC(N)CCc2n(CCCC)c(nn2)CNC(N)C34CC5CC(C3)CC(C5)C4 -MOL_01_011754,c1cccc(c12)nc(nc2C)CCc3ccc(n3C)CCNC(=O)c4ccccc4F -MOL_01_011755,CCc1cc(c(CC)cc1Cl)NC(=O)CN(CC2)CCC2(C(=O)N)N3CCCCC3 -MOL_01_011756,CCC(NN)c1ccc(Cl)c(c1N)N(O)c2ccc(C)nc2 -MOL_01_011757,c1cc(Cl)nc(c12)ncc(c2C)C(=O)NCc3ccccc3 -MOL_01_011758,Cc1ccc(cc1)C(N)C2CCN(CC2)CC(N)NCc3ccc(F)cc3 -MOL_01_011759,Cc1cc(nc(n1)C)C2C(=O)CCC2c3c(F)cccc3F -MOL_01_011760,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)CCC3CC(=O)N(C3)c4ccccc4 -MOL_01_011761,Cn1ccc(c12)ccc(c2)C3=NC(=O)CC(C3)c4ccc(ON)cc4 -MOL_01_011762,Cc1ccc(C)c(c1)N2CCN(C(N)C2N)Cc3ccc(F)cc3Cl -MOL_01_011763,Clc1ccccc1C(=N)N(CCC2)C2(CN)c3ccccc3 -MOL_01_011764,O=CCCC(C(=O)C)CC(=O)c1ccc(cc1)C(CN)Cc(c2)ccc(c23)nc(C)nc3C -MOL_01_011765,NCc1ccc(cc1)C(C2)=CC(n(c23)ccn3)c4ccccc4 -MOL_01_011766,CCc1cc(C(C)C)c(cc1CN)Cc2cnc(N)nc2NC(=O)CC(C)(C)C -MOL_01_011767,c1cccc(c12)nc(O)cc2C(=N)N(CCC)CC(=N)Cc3ccccc3C -MOL_01_011768,Cn1cccc1Cc2nnc(n2CCc3ccccc3)CCC(N)N4CCCCCC4 -MOL_01_011769,CN(C)c1cccc(c1)C(=N)N2CCC(CC2)c3nncn3CN -MOL_01_011770,Nc1cc(N)cc(c1)CC(N)c2cc(N)nc(c23)cc(Cl)cc3 -MOL_01_011771,Cn1cc(C(F)(F)F)c(CN)c1N2CCN(CC2)c3ccccn3 -MOL_01_011772,NCC1CCCN(C1)C(=O)CN2CCCC(C2=O)CCc(c3)ccc(c34)cc(Cl)cc4 -MOL_01_011773,n1cccc(c12)ncn2C(=O)N3CCN(CC3)C(c4ccccc4)c5ccccc5 -MOL_01_011774,C=Cc1ncnc(c12)n(cc2)CCN(NC)NC -MOL_01_011775,Fc1cc(F)ccc1C(C)(Cn2cncn2)C(O)c3ccccc3F -MOL_01_011776,Cc1c(C(C)O)nnn1-c(c23)c(C=C2)ccc3 -MOL_01_011777,CCCCCC(O)Cn(c1O)nnc(c12)cc(c2)-c3ccccc3 -MOL_01_011778,c1ccncc1CN2CCN(CC2)C(=O)c(n3)ccc(c34)cc(cc4)Cc5ccc(C(F)(F)F)cn5 -MOL_01_011779,Clc1ccc(cc1)C2(C(=N)N(C)C)CCN(CC2)CCCC(=N)c3ccc(F)cc3 -MOL_01_011780,c1ccccc1NC(=O)Nc(c2)c(C)nc(c23)nc(cn3)Cc4ccccc4 -MOL_01_011781,c1ccncc1C(=N)CC(C(C)C)C(=N)N(CC2(C)C)CCC2(O)c3ccc(Cl)cc3 -MOL_01_011782,Cc(n1)cn(c12)c(ncc2)-c3ccccn3 -MOL_01_011783,NC1CCCN(C1)Cc2ccc(cc2)CNC(=O)C(C=C3)=C(C3=4)C(=O)N=CN4 -MOL_01_011784,Fc1cc(F)ccc1C(O)N2CCC(CC2)Nc3cccnn3 -MOL_01_011785,CC(C)(C1)Cc(c12)cccc2CN(CC3)CCC34CCN(CC4)C(=O)c5ncccc5N -MOL_01_011786,CCC(N)c1cc(C(N)CC)n(c1C)Cc2ccc(C)cc2 -MOL_01_011787,NCC(CN)CN(C)Cc(c1)cc(c2c13)CCCN2C(=N)CC3 -MOL_01_011788,NCc1nc(ncc1Cl)Cc2cc(CN)c(cc2Cl)C(O)C3CCCCC3 -MOL_01_011789,COc1cc(F)ccc1-c2cncc(c2)CCC(=N)c3ccccn3 -MOL_01_011790,c1cnccc1C(=C)Nc2cncc(c2)CCC(N)Cc3ccccc3 -MOL_01_011791,NC(N)CCCc1cc(O)cc(c12)nc(O)nc2O -MOL_01_011792,n1cccnc1CN(CCC2)C(=O)c(c23)cc(cc3)CCc4ccc(C(F)(F)F)cc4 -MOL_01_011793,CC(C)(C)n1ccnc1C(c2cccc(c2)CN)N3CCC(CC3)Cc4ccccc4 -MOL_01_011794,c1ccncc1CN(C(=O)c2ccc(C)cc2)Cc3cc(c4n(c35)ccn5)cc(C)cc4 -MOL_01_011795,CCc1ccc(cc1)NC(N)C2CCCN(C2)Cc3cccc(c34)cccn4 -MOL_01_011796,COc1ccc(OC)c(c1)CC(N)COC(N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_011797,C1CCCCN1c2nc(-c3ccc(N)cc3)cc(n2)CCc4ccccn4 -MOL_01_011798,Cc1nc(C)c(c(N)c1Cl)-c2ccc(nc2)CCc3ccc(F)cc3F -MOL_01_011799,FC(F)(F)c1nc(nc(c1)N)CCNC(=N)C2CCC(=N)N(C2)Cc3cccc(F)c3 -MOL_01_011800,CCCCC1=C(CN)C(C(C(=O)C1)C(=O)CC)c2ccccc2C -MOL_01_011801,NCc1ccc(cc1)-c(c2)ccc(c23)c(=O)nc4c(n3)cccc4 -MOL_01_011802,c1nccc(c12)c(cnc2O)-c3ccccc3 -MOL_01_011803,CC(=O)CC(=O)C1=CN(C)N(C1C(C)C)C(=O)CCc2ccc(C)cc2 -MOL_01_011804,Cc1cn(C)c(C)c1C2CCCN2Cc3ccc(C(=N)N)cc3 -MOL_01_011805,Nc1ccc(cc1C)OCC(N)CC(C2)CCc(c23)cccc3 -MOL_01_011806,CCc1cc(N)ccc1-c2cncc(c2)CCC(=N)C(C)C -MOL_01_011807,CC(C)(C)NC(N=1)=NC(=O)C(C12)=CC(=C2)c3ccc(Cl)cc3 -MOL_01_011808,CCc1cc(N)ccc1-c2cncc(n2)CCC3CC3 -MOL_01_011809,COc1ccccc1N(C)C(O)c2ccc(cc2)NC(O)CCc(n3)nc(O)c(c34)cccc4 -MOL_01_011810,C1CCc(c12)c3c(cc2N)c(C)c(cc3)OCC(N)CCc4ccncc4 -MOL_01_011811,CCc1nc(nc(c1)CC)NC(=C)NCc2c(C(=C)CCC)c(C)nn2C -MOL_01_011812,c1ccccc1NC(C(=C)CCC(=C)CNN)CCc(c2)ccc(c23)CC(=C)NN3 -MOL_01_011813,Cc1cc(C)cc(c1)NC(=N)CN(CCON)C(=N)c2ccc(cc2)-c3ccccn3 -MOL_01_011814,Cc(n1)cc(c12)c(C)nc3n2nnnn3 -MOL_01_011815,c1ccncc1C(=O)NCCCN(c2ccccc2)C3=NCc(c34)cccc4 -MOL_01_011816,NCc1c(CN)cc(cc1CN)C2C(CN)=C(N)Cc(c23)c4c(cc3)cccc4 -MOL_01_011817,CCc1ccc(cc1)Nc2nn(cc2C(C)O)C3(CCN)CC(C3)CN -MOL_01_011818,CN(C)CCCCCCN(C(=C)C(C12)CCCC2)N=C1c3ccc(CN)c(c3)CN -MOL_01_011819,Fc1cc(ccc1)NC(C)c2cc(C(O)NCCN(C)C)cc(c23)c(O)cc(c3)N4CCOCC4 -MOL_01_011820,Fc1cc(ccc1)C(O)N(C2)CCn(c23)nc(c3)CCc4ccccc4 -MOL_01_011821,CCCCCC1(C(N)(N)N)CC(=O)Cc(c12)c(O)cc(Cl)c2 -MOL_01_011822,c1ccccc1C(N)Cn2cnc(c2)-c3ccccc3 -MOL_01_011823,c1cnc(n12)nc(N)cc2N(CN)c3ccccc3 -MOL_01_011824,CC(=O)c(c1)ccc(c12)n(C)c(n2)C3CNN(C)C3 -MOL_01_011825,CCc1ncccc1C(N)N2CCCC(C2)N3CCN(CC3)c4cccc(Cl)c4 -MOL_01_011826,CC(O)c(c1)c(C)nc(c12)cc3c(c2O)cc(cc3)C4CCCCC4 -MOL_01_011827,Fc1ccc(cc1N)-c2cnc(C)c(n2)C(=N)NC3CCCC3 -MOL_01_011828,c1ccc(c2c13)CCN(C2CNC3=C)C(=C)Cc4ccc(CN)cc4 -MOL_01_011829,C=C(N1)Cc(c12)cc(c(c2)N)C(=C)NC(CC34)CC(CC3)C4CC5CCC(N)CC5 -MOL_01_011830,CC(=N1)CCCC1(C)c2cccc(c2)CC(=O)c3ncc(F)cc3F -MOL_01_011831,CC(C)(C1)C=Cc(c12)c(O)c(C)c(O)c2C(=O)c3ccccc3 -MOL_01_011832,CC(C)c1ccc(cc1)CC2=CN=C(C2=3)C(=O)N=C(N3)N -MOL_01_011833,CCc(c1)ccc(c12)N(C(N)CC2)CCCN3CCC(CC3)NC(N)Cc4ccccc4 -MOL_01_011834,CCC(=O)N1CCC(CC1)CCN2CCC(C(C2)CN)NC(=O)c3cc(Cl)c(N)cc3CN -MOL_01_011835,NCN(CN)C(=C)c(c1C)cnc(c12)ccc(c2)CNc3cc(N)cc(N)c3 -MOL_01_011836,CCCCCCCC(N)(c1ccccn1)c2cccc(N)c2 -MOL_01_011837,C1CC1CC(=O)Cc2cc(CN)c(cc2)N3CCCC3=O -MOL_01_011838,CCCCc1ccnc(c1)N2CC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_011839,C1CCN(C12)CCN=C2C(=O)c3ccccc3O -MOL_01_011840,OC1CC(O)c(c12)c3c(nc2C)CCC3 -MOL_01_011841,c1ccccc1CN(CC(=O)N(C)C)c(c2)c(OC)cc(c23)oc4c3cccc4 -MOL_01_011842,CCc1cc(CC)cc(c1)C(=O)NCC2(CN)CCN(CC2)CCc3ccccc3 -MOL_01_011843,CC(O)c1cccc(c1)CCc(n2C)nc(c23)ccc(c3)Cc4ncccc4F -MOL_01_011844,c1cccnc1CNC(O)c2ccc(N(C3)CC3(Cl)Cl)c(n2)CCC4CC4 -MOL_01_011845,NCC(=C1C)C(NC)(NC)Nc(c12)cccc2 -MOL_01_011846,Oc1cc(ccc1)N2CC(N)N(CC2N)CCCc3ccccc3 -MOL_01_011847,CC(O)c(c(n1)N)cc(c12)c(O)c3c(c2)ccc(c3)CCC4CCC4 -MOL_01_011848,Cc1cc(C(C)(C)C)cnc1NC(=O)COC(=O)CCc2ccc(cc2)CN3CCOCC3 -MOL_01_011849,Cc1ccc(Cl)cc1NC(=O)C(C2)CCc(c23)ccc(c3)CN -MOL_01_011850,Cc1cc(CN)c(cc1Cl)C(=O)NC2CCN(CC2CN)CCCn3ccnc3 -MOL_01_011851,c1ccccc1Cc2nnc(n2CC)CCC(=O)Nc3ccccc3N4CCCCC4 -MOL_01_011852,Clc1cc(ccc1)C(=O)N2CCCC(C2)Cn3cnc(c3)C(=O)N4CCCC4 -MOL_01_011853,CCN(C(C)C)C(=O)c1cncc(c1)C(=O)NC(CC(=O)C)C(=O)CCCc2ccc(C)cc2 -MOL_01_011854,Cc1cc(=O)nc(n1CC(C)C)CCC(=O)C(C2)CCc(c23)cccc3 -MOL_01_011855,C1CCC1(C)NC(N)c2ccc(C)c(c2)-c(c3)ccc(c34)c(Cl)c(C)nc4 -MOL_01_011856,CNc1ccc(nc1)NCC2(C)CCN(C2)CC(C)c(c3C)ccc(c34)C(=O)CC4 -MOL_01_011857,CC(C)c(c(c1)N)cc(c1C23C)N=NC2C(C)(C)CCC3 -MOL_01_011858,CCc1c(O)nc(nc1O)CC2CC(=O)N(C2=O)c3ccccc3 -MOL_01_011859,C=C(C)NNC(C(=C)C)CC(=C)c1ccc(cc1)CC(CCN)c(c2)ccc(c23)nc(C)nc3C -MOL_01_011860,C1CCCCN1C(c(cc2F)ccc2)C(C)Nc3ccc(CN)cc3 -MOL_01_011861,FC(F)(F)c(c1)ccc(c12)CN=CN2CC(=O)Nc3cccc(C(F)(F)F)c3 -MOL_01_011862,CCCCCNC(=O)C(CN)c(nc(c12)cccc2)c(n1)C3CCCC3 -MOL_01_011863,NOc(c1)ccc(c12)nc3c(c2)C=CC=C(C3)Cc4ccccc4 -MOL_01_011864,c1ncnn1-c2ccc(cc2C(=C)C)C(=O)Nc3cc(F)ccc3F -MOL_01_011865,CCCC(=N)C1C(=N)NC(N)=NC1c2ccccc2Cl -MOL_01_011866,Cc1nc(N)ccc1CNC(=C)CN2C(=C)C(N)=C(C=C2C)Cc3ccccc3 -MOL_01_011867,Clc1ccccc1C(C)(Cn2cncn2)C(=N)c3ccc(Cl)cc3Cl -MOL_01_011868,n1cccc(c12)N=C(c(cc3)ccc3C)N=NC2c4ccccc4 -MOL_01_011869,c1cccc(c12)cc(C(C)N)n2CC(N)c3ccccc3 -MOL_01_011870,Nc1ccccc1-c2nc(N)nn2CC(N)CC3CCCC3 -MOL_01_011871,O1COc(c12)ccc(c2)OCCN(C)CCCN3C(=N)CCC3c4ccc(O)c(c4)C(C)(C)C -MOL_01_011872,n1cccc(c12)c(CCN)cc(c2C)CN3CCN(C)CC3 -MOL_01_011873,Cc1cccc(c12)C(O)C3=C(C2O)CC(C)(C)CC3 -MOL_01_011874,O=C(C)N(N1C)C(=O)C(C)=C(N12)N=NN=N2 -MOL_01_011875,Cc(n1)ccc(c12)cccc2CCc3c(Cl)ccc(c3Cl)CNC(C)(C)C(=O)NCCN -MOL_01_011876,c1cccc(c12)c(N)c3c(c2N)N=c4c(cccc4)=C(C)N3c5ccccc5 -MOL_01_011877,CN1C(=O)CCN1c2cc(ncn2)CCc3ccc(F)cc3 -MOL_01_011878,n1cnn(c12)c(cc(n2)N)Cc(c3)ccc(c34)cccc4 -MOL_01_011879,CN(C)CCCNc1nccc(c12)c3c(cc2)c4c(cn3)cc5c(c4)CCC5 -MOL_01_011880,c1cccnc1-n2nc(C(C)(C)C)cc2CC(=O)C3CCCC3 -MOL_01_011881,COc1ccccc1CNC(=N)C2CCN(CC2)C(=N)C(NC3)Cc(c34)cccc4 -MOL_01_011882,Cc1cccc(c1)CCc2ccc(nc2)C(CC3(N)N)C(=O)N3C -MOL_01_011883,CCCCc1ccccc1-c2cn(cc2CN)-c3ccc(C(O)O)cc3 -MOL_01_011884,Cc1cccc(c1C)C(=O)CC(C)C(=O)Nc2ccc(cc2)CN3CCCC3 -MOL_01_011885,NCc1c(Cl)cc(cc1)C2=C(C(=O)C(C2)CC(=O)C)c3cc(CN)c(CN)c(c3)CN -MOL_01_011886,C1CCCN1C2=NC(=C)C(C2)CC(=C)Nc3ccc(cc3)C(=C)Nc4ncccc4C -MOL_01_011887,NCc(cc1)nc(c12)c(CN)ccc2C(C)Nc3c(Cl)cncc3Cl -MOL_01_011888,c1ccccc1CCC(=O)C2CCC(=N2)c3cccnc3Cc4ccccc4 -MOL_01_011889,Cc1ccccc1CC(N)CC2CCC(CC2)C(N)c(c3)ccc(c34)OCCO4 -MOL_01_011890,C1CC(N)CCC12CC(=C)C(N)=C2C(=C)Nc3c(N)cccc3CN -MOL_01_011891,C=C(C)c(c(Cl)c1)cc(c12)nc(CC)c(n2)CC(N)CN -MOL_01_011892,Nc(n1)cc(n12)C(CCC2)C(N)Cc3ccc(Cl)cc3 -MOL_01_011893,CCC(O)CCc1ccc(N)c(c12)cccn2 -MOL_01_011894,NCc1ccc(cc1)-c(cc(c23)CCC3)c(c2)C(=O)N4CCCCC4 -MOL_01_011895,CC1(C)CC(C)CC(C1)CC(=O)c(c2=O)cnc(n23)CCC3 -MOL_01_011896,CCOc1nc(C(C)(C)C)c(C)c(c1C)OC(=O)CON -MOL_01_011897,C=C(O)C(N1C)=C(C)N=C(N12)N=NN=N2 -MOL_01_011898,c1ccccc1-n2c(nnc2C)CCCN(C3N)C(N)c4cccc(c4c35)ccc5 -MOL_01_011899,Cc1cccc(c12)nc(cc2)C(=N)C3(CCC(C)(C)C)CCNC3 -MOL_01_011900,CCc1ccc(cc1CC)C(=O)NCc2nnc(n2CC)CCC(=O)Nc3ccccc3 -MOL_01_011901,Cc1cccnc1N2CCN(CC2)C(N)c3ccc(cn3)C(N)CC(C)C -MOL_01_011902,CCN(C1=O)C(=O)N=C(C1=2)N=C(N2)C3CCCCC3 -MOL_01_011903,CC(C)(C1)CC(=N)c(c12)c(O)cc(c2)CCC(=N)N3CCN(CC3)c4ccccc4 -MOL_01_011904,c1cccc(c12)CCN(C2)CC(=C)Nc3ccccc3CCN -MOL_01_011905,c1cccc(C(N)C2C)c1C23CCC(CC3)C(=N)c4ccc(Cl)cn4 -MOL_01_011906,Fc1ccc(cc1)C(C)CC(=O)c2nn(C)c(=O)c(c23)cccc3 -MOL_01_011907,C=C(C)C(N1C)=CC(=C)c(c12)c(N)cc(c2)N -MOL_01_011908,c1cccc(c12)c(=O)n(cc2CC(=O)C)CC(=O)c3ccccc3 -MOL_01_011909,Cc1ccc(c(C)c1)NC(=O)CCC(=O)Cn2cnc(c23)cccc3 -MOL_01_011910,CCN(CC)CCn1cnc(c1)CNc2ccnc(c23)cc(Cl)cc3 -MOL_01_011911,Cc1ccccc1-n2ccnc2CCCCC(N)c3ccc(F)cc3 -MOL_01_011912,CCN(C)c1nccc(n1)N2CCNC(C23)CCC3 -MOL_01_011913,NCc1c(Cl)cc(cc1)CC(C2(C)C)C(C)(C)C2NC(N)c(n3)cn(c34)cccn4 -MOL_01_011914,NCc(cc1)c(C)c(CC(C2)C=C3)c1C23c4cc(CN)c(CN)c(c4)CN -MOL_01_011915,Cn1nc(N)c(c1N)NC(=N)CNc2cc(C(F)(F)F)ccc2F -MOL_01_011916,CC(=O)N(C(=O)C)c(c1)ccc(c12)nc(C)nc2C -MOL_01_011917,c1cccc(c12)CCC(=C)N2Cc3c(N)cccc3N -MOL_01_011918,CCc1ccc(cc1)C(O)NCCc2nnc(n23)ccc(n3)CCC(O)N4CCCC4 -MOL_01_011919,Cc1cccc(c12)cc(CN)c(n2)CCC(=N)C3CCC(C)CC3 -MOL_01_011920,c1ccoc1-c2nnc(n2C)CCC(=O)NCCc3ccccc3 -MOL_01_011921,Nc1ccc(cc1C)Cc2nnc(O)c(c23)CCCC3 -MOL_01_011922,Nc1cc(ON)c(cc1C)C(=O)NC2CCN(CC2)CC3CCN(CC3)CCCCCN -MOL_01_011923,Fc1ccc(cc1)C(=N)Cc2cc(N)nn2-c3ccccn3 -MOL_01_011924,Nc(c1)cc(N)c(c12)c3c(C2(C)C(N)(N)N)cccc3 -MOL_01_011925,Cc1cccc(c12)cc(c(n2)O)CCC(N)c3ccc(CN)cc3 -MOL_01_011926,CCCc1nc(ncc1CN)Cc2cc(F)c(C(=O)C(C)C)cc2CN -MOL_01_011927,O=C1N=CN=C(C1=2)C=C(C2)Cc3ccc(cc3)NC(=O)c4ccc(C(F)(F)F)cc4 -MOL_01_011928,NC(O)c1cc(C2CC2)ccc1Cc3cnc(nc3)-c4cc(F)ccc4F -MOL_01_011929,CNC(O)c1nc(cnc1N)-c2cccc(c2)NCc3ccccc3 -MOL_01_011930,CCCC(=O)c1cc(CN)c(nc1C)CCC(=O)c2cc(CN)c(CN)nc2C -MOL_01_011931,CCCC(N)c(c1)cc(n12)c(nc(c2)C)CCc3ccc(C(F)(F)F)cc3 -MOL_01_011932,c1cccc(CC2=N)c1C23C(c4ccc(cc4)OC)CC(=N)CC3c5ccc(OC)cc5 -MOL_01_011933,CCC(=O)c1ccc(cc1)CCC(C)Cn2c(NNC)nc(c23)cccc3 -MOL_01_011934,CC1CNCN=C1CNC(=N)c2c(ccc(Cl)c2F)-c3cccc(Cl)c3 -MOL_01_011935,C=C(N)C(CC)Cc1ccc(cc1)CCc(n2C)nc(c23)ccc(c3)CN -MOL_01_011936,COc1ccc(OC)c(c1)NC(N)CN2CCC(CC2)C(N)c3ccc(C)cc3 -MOL_01_011937,c1ccc(n12)nc(C)c(c2O)C(O)CCc(c3)ccc(c34)CCC4 -MOL_01_011938,CCC(=O)CC1Cc(cccc2)c2N(C(=O)N)c(c13)cccc3 -MOL_01_011939,CC1CN(C1)c2ccc(C(C)NC(C(C)C)CC(N)N)nc2CCC3CC3 -MOL_01_011940,CN1CCN(CC1)CCN(C2)C(C)c(c3c(c24)c5c(c(c4)CN)CCC5)cc(CN)c6c3CCC6 -MOL_01_011941,CCC(C(C)(C)C1)Cc(c12)cc3c(c2)nc(O)cc3C(N)(N)N -MOL_01_011942,Fc1ccc(cc1F)NC(O)CCNCc(c2)ccc(c23)NC(O)CC3 -MOL_01_011943,Fc1ccc(cc1)C(CC(=O)C2)C2(Cn3cncn3)c4ccc(F)cc4 -MOL_01_011944,Cc1ccc(cc1)CC2CC(=O)N(C2=O)CCNC(=O)C3COCCO3 -MOL_01_011945,c1cccc(c12)c(nn(c2=O)C)C(=O)CCC(=O)CCNc3ccccc3 -MOL_01_011946,CCCc1ncccc1NC(=O)NC2CCCN(C2)c3ncccn3 -MOL_01_011947,O=C1N=CN=C(C1=2)N=C(C2)C3CCC(CC3)Cc4ccccc4C(F)(F)F -MOL_01_011948,Cc1cccc(c1)NNc(n2)ccc(c23)C(N)C(C)CC3 -MOL_01_011949,NC(N)(N)c1ccc(cc1)C(=C)NC(C(=C)N2)N=C(c(c23)cccc3)c4ccccc4 -MOL_01_011950,C1CC1CC(=N)CC(C2)CCc(c23)n(c(=N)cc3)CC4CC4 -MOL_01_011951,C=C(C)c1ccccc1Nc2ccnc(n2)Nc3ccccc3C(=C)N -MOL_01_011952,NCc(cc1)cc(CC2)c1C(C23CN)Cc4c3cc5c(c4)CNC5 -MOL_01_011953,CC(O)Cc1c(C(C)O)cc(n12)nnnn2 -MOL_01_011954,NCCCN(C1=C)Cc(c12)cccc2C(=C)Nc(c3)ccc(c34)CCCC4 -MOL_01_011955,NCc1cnc(cn1)NC(=O)Nc2cc(Cl)c(cc2CN)CCCNCc3ccc(F)cc3 -MOL_01_011956,Cc1nc(C)c(C)c(n1)Nc2ccccc2CN -MOL_01_011957,Cc1ccc(C(N)N)cc1-c2cccc(c2)COc(c3)ccc(c34)c(N)n(c4)C5CCCC5 -MOL_01_011958,C1CCCC1N(C)C(=O)CCC(=O)c2cccnc2Nc3ccccc3F -MOL_01_011959,Cc1c(C)cc(=O)n(c12)ccn(c2=O)Cc3ccc(F)cc3 -MOL_01_011960,n1cnc(c12)n(c(C)nc2C)CCc3ccccc3 -MOL_01_011961,CCC(C)OC(O)Cc1c(cnn1C)-c2ccc(cc2)-c3ccc(cc3)C4(C(O)O)CC4 -MOL_01_011962,NCCCCCC(O)c(c1O)cnc(n12)cc(c2)N3CCCCCC3 -MOL_01_011963,c1cccc(c12)c(nnc2CN)-c3ccc(c(N)c3)N4CCCCC4 -MOL_01_011964,NCCc1c(N)nc(n12)c(c(N)cc2)CCc3ccccc3 -MOL_01_011965,C=C(C)c1cccc(c1)C2=NCN(C(O)N2)c3ccccc3C(C)O -MOL_01_011966,NC(N)c(n1)nc(O)c(c12)c(cc(c2)O)CCC(C3)CC34CC4 -MOL_01_011967,CCCNc1ccccc1C(=O)CCC(=O)N(CC)c2cccc(c23)cccc3 -MOL_01_011968,Cc1ccc(cc1C)CC(O)CCC(O)Cn2nc(cc2O)-c3ccc(F)cc3 -MOL_01_011969,Cc1ccc(cc1)Cc(c2C)cnc(c23)ccc(c3)COO -MOL_01_011970,Cc1cccc(c1)-c(nc(c23)CCCC3)nc2CCC(=O)N -MOL_01_011971,Cc(c1)ccc(c12)nc(N)c(c2)CN(CC3CCCO3)C(N)c4ccc(Cl)cc4 -MOL_01_011972,Cc1ccc(cc1)-c2cnc(N)c(n2)C(N)Cc3ccccc3 -MOL_01_011973,NCc1cnc(cc1C)CN2CC(=C)N(CC2O)c3ccc(O)cc3 -MOL_01_011974,NCc1c(CN)c(CN)cc(c12)NC(O)NC2c3ccc(Cl)cc3 -MOL_01_011975,Cc1ncccc1Cc2ncnc(c2C)CC(C34)C(CC3)CN(C4)C(=O)CC(C)C -MOL_01_011976,FC(F)(F)c1cnc(nc1CC)Cc2cc(F)c(C3COC3)cc2ON -MOL_01_011977,Cc1ncc(N)nc1C(O)N(C)c2cccc(n2)N -MOL_01_011978,COc1c(OC)cc(O)c(c12)c(N)c(OC)c(c2)-c3cccc(Cl)c3OCC(N)O -MOL_01_011979,Cc1cc(C)c(CN)c(n1)CCC(=O)Nc2cccc(c2)CN3CCCC3 -MOL_01_011980,COc1ccccc1N2CCN(CC2)CCCCc3ncccc3C(N)C4CC4 -MOL_01_011981,CCC(=O)C1(C)C(=O)c(c12)c(c(C)cc2)CC(=O)C -MOL_01_011982,c1cnc(Cl)c(c12)CCC2NC(=O)Cc3ccc(Cl)cc3Cl -MOL_01_011983,Nc1nc(ccc1)CN2C(=N)CCC(C23)N(CC3)Cc4cccnc4 -MOL_01_011984,CNC(=O)c(c1)cc(n12)c(nc(c2)C)CCc3ccccc3C -MOL_01_011985,CN(C)CCNCc1c(C=CC(O2)(C)C)c2cc(c13)cc4c(c3N)cccc4 -MOL_01_011986,NCCCn1ccnc1C(CC(C)C)N2CCN(CC2)c3ccccc3 -MOL_01_011987,NCNc1ccc(cc1CN)Nc2c(cccc3)c3nc(c24)nccc4 -MOL_01_011988,CCc1ccc(cc1)NC(=O)Cn2cnc(c2N)C(=O)NCc3ccc(C)cc3 -MOL_01_011989,CNCc1ccn(c1)-c2nccc(c23)c(O)ncn3 -MOL_01_011990,Cc1c(C)nnc(c12)cc(n[n+]2[O-])-c3nnnnn3 -MOL_01_011991,Cc1cc(C)nn1-c2nc(CC(=O)C)cc(n2)C3CCCC3C(=O)CN -MOL_01_011992,C1CC1NC(=O)c(c2)ccc(c23)Cc4c(C(=O)N3)cccc4 -MOL_01_011993,Nc(c1)ccc(c12)CC=3N2CC=CN3 -MOL_01_011994,Cc1ccc(nc1)NC(=N)C2(CCCC2)c3ccccc3 -MOL_01_011995,CCOC(=N)c(c1)cc(n12)c(nc(c2)C)CCc3cccc(C(F)(F)F)c3 -MOL_01_011996,COc1cccc(c1C)C(N)NC2(CCCCC2)C(N)c3cc(C)cc(C)c3 -MOL_01_011997,Cc1ccc(cc1)NC(O)NCCCC(C)Nc2cc(CN)cc(c23)cccn3 -MOL_01_011998,c1cccc(c12)CN(C2)C(=N)Nc3ccc(cc3)C(=N)N4CCN(CC4)c5ccccc5CN -MOL_01_011999,C=C(O)c1ccccc1CCC(=O)c2cc(C)n(c2C)C3CC3 -MOL_01_012000,C1CCCCC1C(N)Cc2cnc(n23)CCCC3 -MOL_01_012001,CCc1ccc(cc1)CNC(N)c2ncn(c2N)-c3cccc(C(F)(F)F)c3 -MOL_01_012002,Cc1ccc(cc1)CNC(=O)c2ccc(nn2)N3CCN(CC3)Cc4cccnc4N -MOL_01_012003,C=CC(O)c(nc1)cc(c12)ccn2Cc3ccc(F)cc3CN -MOL_01_012004,Cc(n1)nc(C)c(c12)c(N)c(cn2)CCc3cc(CN)cc(c3)CN -MOL_01_012005,Nc1cccc(c1)CCCN2CCC(CC2)Cc(c3)ccc(c34)CCC(=O)N4 -MOL_01_012006,CCc1ccccc1N(C2(C)C)CCN(C2)C(N)Cn3nc(C)cc3C -MOL_01_012007,Cn1cc(cn1)NCc2c(Cl)cc(cc2Cl)-c3ccnc(c3)N4CCNCC4 -MOL_01_012008,NCc1c(CC)cn(c12)c3c(c(n2)C)cccn3 -MOL_01_012009,CCC(C)NCCNc1cc(CN)cc(c12)cccn2 -MOL_01_012010,Cc1cccc(N)c1-n2cnc(c2)C(N)c3ccc(C(C)C)cc3 -MOL_01_012011,C1CCCN1C(N)CCc(n2)c(C)cc(c23)cc4c(c3)CCCC4 -MOL_01_012012,COc1ccc(cc1)CC2CC(NC2=O)c3ccc(OC)cc3 -MOL_01_012013,C1CCCC1CNC(O)CN(C(O)CC2)c(c23)cccc3 -MOL_01_012014,N=C(N)c1cccc(c12)C(C)N(C2=N)C3CCN(CC3)C(CC4)CCC4(F)F -MOL_01_012015,Cn1ccnc1C(NOC)c2ccccc2COc3ccc(cn3)C(C)(C)C -MOL_01_012016,NCc1ccc(cc1)C2=C(C(=C)CC2)c3cnccc3CN -MOL_01_012017,NCc1nc(N)nc(N)c1CCCc2cccc(c2)-c3cccnc3 -MOL_01_012018,NCc1nc(N)nc(N)c1CCCc2cc(ON)cc(c2)-c3ccccc3 -MOL_01_012019,CN1CCN(CC1)CC(=O)NC2c(cccc3)c3CCc(c24)nccc4 -MOL_01_012020,CCCn1ncc(c1C)-c2ccnc(n2)CC(CC34)C(C3)CC4 -MOL_01_012021,CCCC(N)c(c(n1)N)nc(c12)c(Cl)c3c(c2)cccn3 -MOL_01_012022,CCCCOC(N)c1ccc(cc1)Cc2cc(C)nc(c23)ccc(c3)OC -MOL_01_012023,Nc1ccccc1N(C)C(=O)c2cncnc2Cc3cc(Cl)ccc3Cl -MOL_01_012024,Cc1ccc(cc1)CCc2c(C(N)NC(C)C)c(C)nn2-c3ccccc3 -MOL_01_012025,CCC1CCCN1c2nccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_012026,C1=CCC(N)=NC1(C)c2cccc(c2)NC(O)c3cnc(cn3)CCCN -MOL_01_012027,NOc1ccc(c(c1)ON)C(N)C2CCCN(C2)Cc3c(F)ccc(F)c3F -MOL_01_012028,CCc1cn(CCO)c(CC)c1Cc2cccc(N)c2N -MOL_01_012029,c1cccc(c12)c3c(nc2C)ccc(n3)NCCN4CCCCC4 -MOL_01_012030,Cc(n1)nc(C)c(c12)c(Cl)c(c(c2Cl)C)CN -MOL_01_012031,Fc(c1)ccc(c12)c3c(nc2C)cc(cc3)C(=O)NCCN4CCCCC4 -MOL_01_012032,C=C(C)c(n1)cn(c12)CC(C2)CN -MOL_01_012033,CCC(N)c1ccc(cc1)CCC(C)Cn2cnc(c23)cccc3 -MOL_01_012034,C1CNc(c12)ccc(c2)C(=C)NCc3ccc(CN)cc3 -MOL_01_012035,CCCCCCCCNC(=N)C1(C)CC(=C(CN)C(=N)N1)c2ccc(C)cc2 -MOL_01_012036,Nc1ccccc1CCC(N)CC23CC4CC(C2)CC(C4)C3 -MOL_01_012037,CC(=O)c1ccnc(c1)-c2ccnc(n2)C3CCCC(C)CC3 -MOL_01_012038,CCC(C=1)=CC(C12)=CC(=N2)c3ccc(N)c(N)c3 -MOL_01_012039,Fc1cnc(nc1)N(CC2)CCc(n23)nnc3CCc4ccccn4 -MOL_01_012040,CC(=O)c1c(C)nc(C)c(CN)c1-c2nnc(Cl)nn2 -MOL_01_012041,Cc1ccc(cc1)NC(=O)CCc2n(CC)c(nn2)CNC(=O)C34CC5CC(C3)CC(C5)C4 -MOL_01_012042,CCc1ccc(cc1)CC(=O)NCc2nnc(n2C)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_012043,c1cccc(c12)CC(C)CN2C(=N)Nc3ccc(cc3)C(=N)NCc4ccccc4F -MOL_01_012044,Cc1ccc(O)cc1Cc2cc(ON)nc(n2)-n3cnc(c34)cccc4 -MOL_01_012045,CCCc1cnc(C)n1C(C2)CCc(c23)c(CN)ccc3 -MOL_01_012046,O=C(C)c1ccc(C)c(c12)nc(cc2)C(=O)Cc3ccc(C)cn3 -MOL_01_012047,n1cnc(C)c(c12)c(ccc2CC)Cc3cc(CN)c(CN)c(c3)CN -MOL_01_012048,CCc1cccc(C)c1N(C(=O)NC)C(C)CCO -MOL_01_012049,CCc1ccc(cc1)C(O)NCc2nnc(n2CC)CCC(O)Nc3cc(C)ccc3C -MOL_01_012050,Fc1ccc(cc1)C2=Nc(c(N)ncn3)c3Cc(c24)ccc(c4)C -MOL_01_012051,CCCNc1ccc(C(=O)C)c(c1)Nc2ccc(C)c(n2)C -MOL_01_012052,c1ccccc1NC(=O)C(=O)NCC(c(c2)ccc(c23)CCC3)N4CCN(CC4)c5ccccc5 -MOL_01_012053,O=C1CC(=O)CC(=O)C1(NCCCN)Cc2ccc(nc2)Cc3ccc(F)cc3 -MOL_01_012054,c1cccc(c12)nc(nc2C)C3=C(N)N(C(C)C)CC3N -MOL_01_012055,NCc1ccc(cc1)N2C=C(Cl)C(=CC2=C)CC3CCN(CC3)c4ncc(Cl)cn4 -MOL_01_012056,N1=NC(C)=C(C1=2)C(=O)C=C(N2)c3ccccc3 -MOL_01_012057,CCN(CC)Cc(c1)ccc(c12)ncc(c2C)C(=O)NCCC3=CCCCC3 -MOL_01_012058,COC(=O)CC1CC(NC1=O)NC(=O)c2ccc(cc2)-c3ccccc3 -MOL_01_012059,CN(C)CCCC(=O)c1cccc(c1)-c2cncc(n2)CC(=O)N -MOL_01_012060,c1cccc(c12)c(=C)n(c2=C)CC(C)Cn3cnc(c34)ncnc4C -MOL_01_012061,NOc1cccc(ON)c1C2CCCC(=N)N2Cc3ccccc3Oc4ccccc4 -MOL_01_012062,Clc1c(Cl)cccc1-c2cc(C(C)=N)c(cc2)NC3CCC(O)CC3 -MOL_01_012063,NC(O)Cc1c(C)n(nc1C)Cc2ccc(cc2Cl)CC(N)c(c3)ccc(c34)cccc4 -MOL_01_012064,OCC(C)(C)C(=O)Cc1ccc(cc1)OCCc2ccc(cc2)-c3cccnc3 -MOL_01_012065,c1cccc(c12)n(cc2N)C(=O)NC(CC34)CC(CC3)N4N -MOL_01_012066,CC(C)n1cnc(c12)cc(cc2)CCc3ccccc3N -MOL_01_012067,c1cncn1CC2CC(=O)N(C2)c3ccc(c(F)c3)-c4cccnc4 -MOL_01_012068,C1=NN=C(C1=2)N=C(N2)c3cc(ccc3C)NC(=N)Nc4cccc(Cl)c4Cl -MOL_01_012069,CCc1cccc(c1)CNC(=O)CCC(=O)CCCNC(=O)c2ccc(Cl)cc2 -MOL_01_012070,NCc1c(CN)cc(cc1CN)C(=C)c2cn(nn2)-c3cccc(CN)c3C -MOL_01_012071,OCc1ccc(nc1)N2CCC(CC2)Cc3ncccc3C4CCCCC4 -MOL_01_012072,Nc1ccc(cn1)-c2ccc(cc2F)-c3ccccc3CN4CCCCC4 -MOL_01_012073,Cc(n1)ccc(c12)c(N)cc(N)c2CCC(C)O -MOL_01_012074,NCc1nccnc1N2CC(C)N(CC2)Cc(c3)ccc(c34)CCC4 -MOL_01_012075,CC1(C)CC(C1)NC(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_012076,CCc1ncccc1Cc2cc(CC(C)C)cnc2NC(=O)NC -MOL_01_012077,NCc1ccc(cc1)Nc(cc(c23)cccc3)c(c2)-c4cccnc4 -MOL_01_012078,NCc(c1)c(CN)cc(c12)nc(nc2C)C3CCC(CC3)C(O)CN -MOL_01_012079,CCCc1ccc(cc1)NC(O)CCC(O)Cn2cnc(c23)cccc3 -MOL_01_012080,CCCCCCC(C)CC(N)CCc1ccc(N)cc1N -MOL_01_012081,Oc1nnc(n12)c(ccc2)-c3ccccc3 -MOL_01_012082,Cc1cccc(n1)NC(=O)CCNCc2c(C(C)C)nn(C)c2CN -MOL_01_012083,c1cccc(c12)C(N)C(=C(Cl)C2N)Nc3ccc(cc3)Nc4ccccc4 -MOL_01_012084,O=C1CN(CCN1)Cc2ccc(cc2)CNC(=O)C(C=C3)=C(C3=4)C(=O)N=CN4 -MOL_01_012085,CCC(=N)CCCCCCCC(=N)c(c1)cnc(c12)cccc2 -MOL_01_012086,Nc1ncc(cc1)CN2CC(CCC)N(CC2)c3ncc(cn3)C(C)(C(F)(F)F)C(F)(F)F -MOL_01_012087,NCc1ccc(cc1)CNC(O)c2cc(N)c(CN)c(n2)NC3CC3 -MOL_01_012088,Cc1cccc(c1)C2CCCCN2C(O)Cc3c(C)nc(N)nc3C -MOL_01_012089,C=C(O)c1nn(c(C)c1Cl)CC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4 -MOL_01_012090,Cc1cnn(c1)CC2CCCCC2c3ncnc(c34)cccc4 -MOL_01_012091,Cc1cc(N)nc(C)c1CNC(O)c2ccn(c2)Cc3cccc(c3)N4CCCC4 -MOL_01_012092,CC(=N)Cc1ccc(cc1)C2=NCCn(c23)c(C)nc3 -MOL_01_012093,CCCC(=O)C1=C(N=C(C)NC1C)c2cccc(c2)Cc3ccccc3 -MOL_01_012094,C=C(C)c1c(N)n(nc1N)CCCC(=C)Nc2cnn(c2)Cc3ccc(F)cc3 -MOL_01_012095,Cc(n1)cc(C)n(c12)c(nn2)CCC(O)Cc3cccc(c34)cccc4 -MOL_01_012096,CCc1c(CC)c(CC)nc(n12)nc(c2)C(N)c3ccccc3 -MOL_01_012097,CNCc1ccccc1-c2ccc(c(C)c2)-c3cnc(N)c(n3)C -MOL_01_012098,Cc1ccc(cc1C)C(=O)CCc2nccn2-c3ccc(CN)cc3 -MOL_01_012099,c1cc(C)n(c12)c(O)nc(C)c2C(C)O -MOL_01_012100,CCOC(=O)C(C1)=C(C)C(C1=2)C(=O)N=C(N2)CC -MOL_01_012101,Cc1cc(nc(n1)C)-c2cccn2C(O)CC(C)(C)C -MOL_01_012102,c1cccc(c12)c(cn(C)c2=N)C(=N)c3ccccc3 -MOL_01_012103,CCC(N)N1CCc(c12)cc(cc2)CCCC(N)NCCc3ccccc3 -MOL_01_012104,Cc1cn(C)c(CN)c1C(=O)NC(C)Cc2ccccc2Cl -MOL_01_012105,CCCC(=O)c(n1)nc(C)c(c12)cc3c(n2)ccc(Cl)c3 -MOL_01_012106,C1CCCCC1c2c(c(N)nn2C)CCC3CCCCCC3=O -MOL_01_012107,Cc1ccccc1C(O)c(c2)cnc(c23)NC(O)N(C3)C -MOL_01_012108,CC(=O)CNC(=O)C1=C(C)CCN(C1=O)Cc2ccc(nc2)Cc3ccc(C(C)C)cc3 -MOL_01_012109,C1CCCC1C(C(N)C(C)C)Cc2ccc(N)cc2N -MOL_01_012110,C1=CC=CN(N12)CN3N(C2)C(=C4C(=C3C)CCC4N)CCCCCN -MOL_01_012111,Cc1nc(N)nc(c12)ccc(c2)CN(CON)c3cccc(c3)C(C)N -MOL_01_012112,C1COCCC1Oc2ccc(cc2CN)-c3ccnc(c3)Cc4cnc(cn4)CO -MOL_01_012113,CCCC(=O)c1cn(C)c(nc1=O)-c2ccccc2CCC -MOL_01_012114,NCc(c1)ccc(CC2)c1C(c(c23)cccn3)NCCN4CCCC4 -MOL_01_012115,CCOc1ccc(cc1)C2C(C(N)OC)=C(C)NC(C)=C2C(N)OC -MOL_01_012116,CCCCCC(=N)C(c(c12)cccc2)C(C(=N)CO1)Cc3ccccc3 -MOL_01_012117,C1CCCCc(c12)nc(nc2C(N)(N)N)N3CCCC3 -MOL_01_012118,c1cnc(n12)ccc(c2)C(O)NCc3ccc(cn3)Cc4cnc(nc4)N5CCOCC5 -MOL_01_012119,C1CNCCN1c2cc(ccc2CN)CNc3cc(Cl)cc(Cl)c3Cl -MOL_01_012120,NC(O)c(c1O)cnc(c12)cc(cc2)CCc3ccccc3 -MOL_01_012121,CCC(=N)c(c1)ccc(c12)c3c(C2(C)C(N)(N)N)cccc3 -MOL_01_012122,CN1C(=N)C(N)N(C2CC2)c(c13)cc(cc3)NC(N)c4ccc(N)cc4 -MOL_01_012123,CC(=O)c1ccc(cc1)NC(=O)c(c2)ccc(c23)ccn3Cc4cccc(Cl)c4 -MOL_01_012124,c1ccccc1C2CC(=N)N(C2)c3cncc(c3)N4CCNCC4 -MOL_01_012125,NCc1cccc(c1)CCC(=O)C(N=2)=NC(=O)C(C23)=C(N)N=C3 -MOL_01_012126,c1cccc(c12)nc(cc2C)CCC(=O)c(o3)cc(c34)cccc4 -MOL_01_012127,CCCCC(N)C1CCN(CC1)c(n2)nc(C)c(c23)cc(ON)c(c3)ON -MOL_01_012128,NC(N)CC(C)Cc1ccc(n1C)CN2CCN(CC2)c3ccccc3CN -MOL_01_012129,OCCNC(=O)Cc1ccc(Cl)c(c1)CC2=C(O)CC(CC2=O)c3c(Cl)cccc3Cl -MOL_01_012130,NCc1cc(ccc1)C(=N)NC(C(=N)N2)N=C(c(c23)cccc3)c4ccccc4 -MOL_01_012131,CCNc1c(F)cc(cc1)C(C)C(=C)NCc2ccc(C(C)(C)C)nc2CN -MOL_01_012132,NC(N)(N)c1cccc(c1)-n(c(=O)c2)cc(c23)C(=O)C=C3 -MOL_01_012133,C1CCCCN1C(C)(C)CNC(=C)c2ccc(cc2)NC(=C)N(C3)Cc(c34)cccn4 -MOL_01_012134,NCc1cccc(c1)Nc2ncc(CO)c(n2)CCC3CCCCC3 -MOL_01_012135,c1ccccc1C(=O)NC(C)C(=O)CC(C(=O)O)Cc(c2)ccc(c23)oc4c3cccc4 -MOL_01_012136,CC(C)CCC(C1O)=C(F)C(O)c(c12)cccc2 -MOL_01_012137,C1CCCc(c12)c(cn2C)CNC(=O)c3cc(CN)cc(c3)CN -MOL_01_012138,CCCc1nc(ccc1CN)Cc2cc(CCCN)ccc2C(=O)N -MOL_01_012139,Cc1ccc(Cl)cc1CC(O)c2cc(CN)c(CN)cc2-n3ccnc3 -MOL_01_012140,CCc(n1)cc(C(N)(N)N)c(c12)cc3c(c2)CC(C)(C)CC3 -MOL_01_012141,CC1CCCc(c12)cc3c(c2)c(C(N)(N)N)cc(n3)N -MOL_01_012142,CCCC(=O)c1cc(cn1C)-c2ccc(CN)c(c2)CN -MOL_01_012143,CCCC(=O)c1ccccc1NC(=O)c2nnc(C)c(c23)cccc3 -MOL_01_012144,CCCc(n1)cn(c12)c(C)c(c(n2)C)NCc3ccc(C)c(C)c3 -MOL_01_012145,COc1ccc(cc1)-c2cc(N)c(CN)c(c2)N3CCN(CC3)c4ccccc4 -MOL_01_012146,NCc1ccc(CN(F)F)c(c1)NC(O)Nc2ccc(cc2Cl)C3CCCNC3 -MOL_01_012147,Cn1nccc1C(=O)Cc2nc(C)c(cc2)-c3ccc(F)cc3Cl -MOL_01_012148,c1ccccc1CNc2ccc(cc2NC)CCC(N)Nc(c(c3)NC)cc(c34)nc(N)cc4 -MOL_01_012149,NCc1cc(c(CN)cc1Cl)NC(=O)C(C2)CCc(c23)cccc3 -MOL_01_012150,NCNCn(c1=O)cnc(c12)ccc(c2)CC(=O)c3ccccn3 -MOL_01_012151,Oc1ccccc1N(C2=N)C(=N)c3cccc(c3c24)c(cc4)N5CCCCC5 -MOL_01_012152,NCc1c(N)cc(N)nc1N2CCN(CC2)c3ccc(F)cc3 -MOL_01_012153,CC(O)c1ccc(cc1)Nc2ncc(C(=C)O)c(n2)NC34CC5CC(C3)CC(C5)C4 -MOL_01_012154,c1cccc(N(CC2)CCC)c1CC23CCN(CC3)C(=O)CNC(=O)C -MOL_01_012155,CCCC(=O)CCc1ccc(Cl)cc1C2CC(=O)CC(C)=C2C(=O)C -MOL_01_012156,Cc1cccc(c1)-c2c(O)ncnc2Cc3cccc(c3)C(O)CN -MOL_01_012157,O=c1n(C)c(=O)cc(n1C)CC(=O)c2ccc(Cl)cc2Cl -MOL_01_012158,CCc1ccc(cc1)C(C(C)O)c2ncc(C(N)(N)N)cc2Cl -MOL_01_012159,CC(=O)c(c1C)ccc(c12)ccc(n2)NC(=O)NCc3ccc(CN)cc3 -MOL_01_012160,c1ccccc1-c2nnc(CCC3CCCCO3)nc2-c4ccccc4 -MOL_01_012161,NCCCN1C(=C)C=Nc(c12)cnc(n2)N3CCCCC3 -MOL_01_012162,CN(C)CCCCC(=O)Nc1cccc(c1)CN2C=C(CCC2=O)c3cc(F)cc(F)c3 -MOL_01_012163,COc1ccc(nc1)COc2ccn(c(=N)c2)CC(=N)c3ccc(cc3C)CN4CCCC4 -MOL_01_012164,CCc1cc(CO)c(cn1)CCc2cccn(c23)c(nn3)C -MOL_01_012165,c1cccnc1C(=C)Nc2cnn(c2)Cc3ccc(CN)c(Cl)c3 -MOL_01_012166,NCc(c1)cccc1C2(c3ccccc3)C(=N)Nc(c24)cccc4 -MOL_01_012167,C1CCCC1NC(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_012168,Oc1cccc(c1)Cc(nc(c23)cccc3)n2-c4ncncn4 -MOL_01_012169,c1cnccc1C(C(CN)=C(O2)C)c(c23)ccc(c3)Cc4ccccc4 -MOL_01_012170,C=C(O)c1ccccc1CC(=O)C(C)CC(=O)Cn2cc(C)c(C(=C)O)c2C -MOL_01_012171,CC(N)Cc1c(CC)cc(C(N)CC)c(c12)c(N)c3c(c2)cc(C)nc3 -MOL_01_012172,Cc(c1)ccc(c12)cc(c(n2)C)CCNC(N)CC(C)C -MOL_01_012173,CCCC(=C)CCc1c(C)nn(c1C)-c2ccncc2CN -MOL_01_012174,Cc1cccc(c1C)CC2=NC(=O)C(=NC2=O)Cc3ncoc3C(C)(C)C -MOL_01_012175,n1ccnc(c12)CC(C(=C)N=C)N(C2)Cc3ccc(cc3)CCCCCC -MOL_01_012176,O=c1nc(N)ccn1C2C=C(C)C(C2)c3ccccc3 -MOL_01_012177,NCCc1cc(ccc1Cl)C(=O)NC2(CN)CC2 -MOL_01_012178,Cc1ccccc1C(N)Nc2ccc(cc2)C(N)N3CCN(C)Cc(c34)cccc4 -MOL_01_012179,NCCCCCC(N)(N)c1ccc(c(O)c1)C2CCCC(O)C2 -MOL_01_012180,Cc1cc(C)cc(c1)NC(=N)C2(CC2(N)N)c3ccccc3 -MOL_01_012181,CCCC(O)c(c1O)cnc(c12)ccc(c2)Cc3ccccc3 -MOL_01_012182,Cc1ccc(cc1)C/N=C/c2c(c(C)n(C)c2C)C(N)N3CCCCC3 -MOL_01_012183,Cc1cc(nc(n1)N)-c2cccn2C(=O)CC(C)(C)C -MOL_01_012184,c1ccccc1N(COCN)C(=O)CCC(=O)c(n2)ccc(c23)cccc3 -MOL_01_012185,c1ccc(F)c(c12)c(N)cc(n2)C(C)NC(N)CCc3ccccc3 -MOL_01_012186,Nc1cc(ccc1)C(=N)Cc2cccc(c23)nccc3 -MOL_01_012187,c1ccccc1CNc(cc2)cc(c23)CCN(CC3N)C4CCN(CC4)C(N)c5ccccc5 -MOL_01_012188,CN(C)c(c1)ccc(c12)C(C(=C(C2)N)CN)c3cc(Cl)cc(Cl)c3 -MOL_01_012189,NCc1cc(CN)c(nc1C)CCC(=O)C2CC(=O)Cc(c23)cccc3 -MOL_01_012190,COc1ccccc1C(=O)Nc2nnc(n23)CCC3 -MOL_01_012191,NCc1ccc(cc1)Cc2cc(c(C(F)(F)F)cn2)Nc3ccc(Cl)cc3C(=O)N -MOL_01_012192,C1COCCN1c2nc(C)c(C)c(c2C)Oc3cccc(O)c3 -MOL_01_012193,CCN1CCN(CC)CC(C1)NC(=O)c2cc(Cl)c(NC)nc2CN -MOL_01_012194,CCN1CCN(C)CC(C1)NC(=O)c2cc(Cl)c(NC)nc2CN -MOL_01_012195,Cc(c1)c(C)cc(c12)ncn2C(O)N3CCC(C)CC3 -MOL_01_012196,CC(=O)N1CCN(CC1)Cc2ccccc2-c3ccc(c(C)c3)-c4cnc(N)cn4 -MOL_01_012197,NCc1ccc(cc1)NC(=C)N(CC2CCCC2)Cc(c(n3)C)cc(c34)ccc(c4)CN -MOL_01_012198,NCc1cccnc1N2CC(C)N(CC2)C(O)C34CC5CC(C3)CC(C5)C4 -MOL_01_012199,NCc1cc(ccc1)NC(=O)CCc2n(CC)c(nn2)CNC(=O)c3cccc(C)c3 -MOL_01_012200,NCc1cccc(CN)c1CC(=C)CC(C)Cc(c2)ccc(c23)N(C)C(=C)C(=C)N3C -MOL_01_012201,CC(=N1)C=CCC1(N)c2cc(CCN)cc(c2)NC(=O)c3ccc(Cl)cc3 -MOL_01_012202,Cc1nc(CCN)c(cc1CN)-c2ccncc2 -MOL_01_012203,CCCN(CCC)c1c(C)nc(nc1F)-c2c(C)cc(C)cc2CN -MOL_01_012204,CCC(C(C)C1)Cc(c12)cc3c(c2)c(C(N)(N)N)cc(n3)N -MOL_01_012205,c1ccccc1Cn2cnc(c2)C(O)Nc3cccc(c3)-c4cn(cn4)Cc5ccccc5 -MOL_01_012206,CCCc1ccc(cn1)N2CCC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_012207,Cc(n1)cc(C)n(c12)ccc2C(N)CCCc3ccccc3 -MOL_01_012208,NCc1ccccc1CCC2CC(O)N(C2)c3ccccc3 -MOL_01_012209,c1ccncc1-c2cc(C)nc(c2CN)CCc3cccc(F)c3 -MOL_01_012210,CCc1ccc(cc1)C2C(C(=O)C)=C(C)C(=O)C2Cc3cccnc3 -MOL_01_012211,CC12CC3CC(C2)C(C(C3)C1)NC(=C)c4cccc(n4)N5CCN(CC5)c6ccc(cn6)CN -MOL_01_012212,FC1(F)CC(C1)CC(=N)c2ccc(C)c(c2)CC(=N)c3cnc(n34)cccc4 -MOL_01_012213,Cc1c(Cl)cc(cc1Cl)NC2=C(C(O)NC2O)c3ccc(Cl)cc3 -MOL_01_012214,CCC(O)c1cc(nc(C)c(n2)C)c2c(c13)CCC(C3)C -MOL_01_012215,c1cccc(c12)C(=O)CC2CC(=O)Nc3cc(Cl)ccc3N4CCCCC4 -MOL_01_012216,NCc1c(Cl)cc(cc1)CCC2(C)CN(C2)Cc3ccc(Cl)cc3CN -MOL_01_012217,Clc1cc(F)ccc1Cc(c2C)c(C)nc(n23)c(cc3)C(C)CN -MOL_01_012218,CC(N)CNc1nc(cccc2)c2n(c13)c(cc3)CN -MOL_01_012219,C=C(C)NC(C(=C)C)CCNC(=C)c(c1C)nc(CN)c(c12)cc(cc2)Cc3ccccc3 -MOL_01_012220,c1cccc(c12)CCC(=C)N2CCCn3cnnn3 -MOL_01_012221,Fc1cccc(F)c1C(=O)CC(CCN)CNc2ncc(C(F)(F)F)cc2Cl -MOL_01_012222,Clc1ccc(cc1)C(=C)NCc2nnc(n2CC)CCC(=C)N3CCCCC3 -MOL_01_012223,NCc1ccc(cc1OC)C(N)c2c(Cl)ccc(c2F)C(C)C3CC3 -MOL_01_012224,Nc1nc(N)cc(n12)nnc2-c3ccccc3 -MOL_01_012225,c1ccc(CN)c(c12)nc(nc2C)-c3ccc(CN)cc3 -MOL_01_012226,NC(=O)CC(C)NC(CC)c1ccc(C)c(c1C)C(=O)c2ccnc(N)c2 -MOL_01_012227,COC(=O)c1ccc(nc1)C(=O)CC2CCCN(C2)Cc3ccc(Cl)cc3 -MOL_01_012228,C1CNCCN1c2c(Cl)c(N)c(cc2)Cc3c(C)c(ccc3)NC(N)c4ccccc4F -MOL_01_012229,NCc1ccc(cc1)Cn2cncc2CN3CC(O)N(CC3O)c4ccccc4 -MOL_01_012230,C1NCc(c12)ccc(c2)CNC(=O)CCC(=O)c3ccc(Cl)nc3 -MOL_01_012231,c1cccc(c12)c(O)c(cc2CC(C)O)Cc(n3C)nc(c34)cccc4 -MOL_01_012232,c1ccccc1CNC(=O)CCC2CC(=O)NC2CN3CCN(CC3)c4ccccc4 -MOL_01_012233,Cc1ccc(cc1)N(CCCN)C(=O)COC(=O)c2ccccc2CCC(=O)N3CCCC3 -MOL_01_012234,C=C(N)c1cc(NC(C)C(=C)N)nc(n1)N2CC(C2)Cc3ccc(CC(F)(F)F)cc3 -MOL_01_012235,C1CCC1C(N)C2CCCn(c23)nc(c3)CCc4ccccc4 -MOL_01_012236,c1ccccc1-c2nc(nc(Cl)c2CN)CCc3ccccc3 -MOL_01_012237,NCc1cnc(cc1)N(C)CC(=O)NCCCCc2ccc(Cl)cc2 -MOL_01_012238,C=C(C)Cc1ccc(cc1)-c2ccc(nc2)CN3CC(=C)N(C(O)O)C3=C -MOL_01_012239,CCc1ccccc1CCC(=N)c2c(C)nc(n23)cc(C)cc3 -MOL_01_012240,COc1c(OC)cc(cc1OC)CC2CNCC(C2=O)Cc3cc(OC)c(OC)c(c3)OC -MOL_01_012241,c1cccc(c12)nc(o2)N(C)C3CCN(CC3)CC(=NCC45)C(C4)C5(N)N -MOL_01_012242,NCc1ccc(cc1)OCC(O)CC2CCC(CC2)Cc3ccccc3 -MOL_01_012243,CCC(N)c(c1)ccc(c12)nc(c(n2)N)CCCc3ccccc3 -MOL_01_012244,CN1CCN(CC1)C2=C(Cl)C(N)N(C2N)c3cc(Cl)cc(Cl)c3 -MOL_01_012245,Cc1ccc(Cl)cc1C(O)CCC(O)Cc2c(C)nn(c2C)-c3ccccc3 -MOL_01_012246,CCCCCc(c1)ccc(c12)c3c(C2(N)C(N)(N)N)cccc3 -MOL_01_012247,NCN(C1)CCc(c12)ccc(c2)NC(=O)C3CCCC3 -MOL_01_012248,COc(c1)cc(OC)c(c12)C(O)C(O2)Cc3ccc(CN)cc3 -MOL_01_012249,Cc1cc(C)n(n1)C(O)c2cn(C)nc2CC3CCCCC3 -MOL_01_012250,C=C(O)c1ccccc1CC(O)C(N2)Cc(c23)cccc3 -MOL_01_012251,NCc1ccc(cc1)C(=O)c2ncn(c23)CCCC3 -MOL_01_012252,NCc1nc(C)cc(n1)N2CCC(CC2)C3CCN(CC3)C(N)CC(C)(C)C -MOL_01_012253,Nc(c1)ccc(c12)CC(=N)CC2(C(N)(N)N)c3ccccc3 -MOL_01_012254,c1cccc(c12)C(N)c3c(C2N)c(ccc3)N4CCCCC4 -MOL_01_012255,Clc1ccc(cc1)CNc2cc(C(=O)NCC)c(cc2)Cc3cncc(Cl)c3 -MOL_01_012256,c1cccc(c12)CCN(C2)C(=C)C(N)Cc3cccc(N)c3 -MOL_01_012257,C=1C=CC(C12)=NC(=O)N(C2=O)CCC(=O)NCCc3ccc(Cl)cc3 -MOL_01_012258,C1CCCC(C)=C1C(C)Nc2cc(CN)c(cc2Cl)C(C)NCCN(C)C -MOL_01_012259,Nc(n1)cc(C(N)(N)N)c(c12)ccc(c2)CC3CCCCC3 -MOL_01_012260,Cc1ccc(C)c(c1)C(C(C)N)N2CCCN(CC2)Cc3ccccn3 -MOL_01_012261,CC(=O)c1ccccc1Nc2ccnc(n2)CCC3CCCCC3 -MOL_01_012262,c1ccc(CN)c(c12)nc(n2C)CC(=N)c3ccccc3 -MOL_01_012263,Cc1cnc(c(C)c1CN)CN(C2)CCn(c23)c(cc3)C(C)C -MOL_01_012264,c1cccc(c12)nc(cc2N)NCCCN(Cc3ccccc3)Cc4ccccc4 -MOL_01_012265,CCCC(=O)N1CCN(CC1)C(=O)C(C=2)=CC(C23)=C(C=C3C)c4cccc(c4)CC -MOL_01_012266,CCC(O)c(n1)cc(O)c(c12)cccc2C(O)c3ccc(C)cc3 -MOL_01_012267,Cc1nc(C)c(Cl)c(n1)-c2ccc(C(N)(N)N)cc2 -MOL_01_012268,CCn1nnc(c12)CN(CN)CC2CCCCN(C)C -MOL_01_012269,n1cccc(c12)C(N)C(=CC2N)Cc3ccc(Cl)cc3 -MOL_01_012270,FC(F)(F)c(n1)c(C(C)N)cc(c12)c(N)c3c(c2)cccc3 -MOL_01_012271,c1cccc(c12)C(N)C(=CC2N)C3CCC(CC3)c4ccccc4Cl -MOL_01_012272,CC(=O)Nc1ccc(cc1)NC(=O)C(C)CC(=O)CNC(=O)c2ccc(cc2)-c3ccccc3 -MOL_01_012273,Cc1cccc(c1C)NC(=N)C(=N)Cc(c(n2)C)nc(c23)cccc3 -MOL_01_012274,Cc1cccc(c1)N2C(=N)CC(C2=N)N3CCN(CC3)C(=N)c4ccccc4 -MOL_01_012275,CCNC(=O)CCC1CC(c2ccccc2)=Nc(c13)cccc3CC -MOL_01_012276,CCNC(C)Nc1cc(ccn1)CNc2ccccc2C(C)Nc(c3)ccc(c34)CC(F)(F)C4 -MOL_01_012277,c1ccccc1N(C)C(=N)c2ccc(=N)n(c2)Cc3ccc(Cl)cc3 -MOL_01_012278,NCc(c1)c(CN)cc(c12)C(CNC2=C)C(=C)Nc3ccc(C)cc3 -MOL_01_012279,CCC(O)c(c1O)cnc(c12)ccc(c2)CCc3ccccc3C -MOL_01_012280,Cc(n1)ccc(c12)ccc(c2N)C(c3ccc(F)cc3)Nc4cccnc4 -MOL_01_012281,COc1ccccc1-c2ccc(cc2)C(=O)N3C(C(=O)O)CCC3C(C)(C)C -MOL_01_012282,Cc1ccnc(c1)N(C)CCOc2ccc(cc2)CC3CC(=O)NC3=O -MOL_01_012283,Cc1ccccc1NC2=C(CN)C(=O)NC(C2)c3ccncc3 -MOL_01_012284,NC(N)(N)CCCc1ncnc(c12)c3n(c2)cccc3 -MOL_01_012285,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccccc3Cc4cccc(n4)CN -MOL_01_012286,Cc1ccc(cn1)Cc2cncc(n2)NC(C)c3cccc(Cl)c3 -MOL_01_012287,CCc(c1)ccc(c12)C(C)(C(C2)N)Cc3ccc(C(N)(N)N)nc3 -MOL_01_012288,Nc1ncc(cc1)CCc2c(ccnc2C)-c3ccc(cc3)C(N)N4CCN(CC4)C5CC5 -MOL_01_012289,CC1CCN(CC1)CC(C)Cn(c2O)cnc(c23)ccc3 -MOL_01_012290,O=c1n(C)ccc(c1C)C(=O)NCc2ccccc2N3CCCC3 -MOL_01_012291,COCCCCCCOc1ccc(c(O)c1)C(=N2)CCC2(C)C(O)O -MOL_01_012292,FC(F)(F)c1ccc(cc1)NC(N)c2cccnc2N3CCCCC3 -MOL_01_012293,NC(=O)c1cc(ccc1)C2(C)C(C)CN(CC2)Cc3cccn3Cc4ccccc4 -MOL_01_012294,CCCc1nc(cc(N)c1CN)NC(O)Cc2cccc(C)c2 -MOL_01_012295,c1ccccc1C(O)NCc2nnc(n2C)CCC(O)N3CCN(CC3)c4ccccc4 -MOL_01_012296,C=C(C)CCCC(=C)Nc1cc(C(=C)CN)ccc1C(=C)CN -MOL_01_012297,Cc1ccccc1Cn2cc(cn2)NC(O)c3nn(C)cc3F -MOL_01_012298,NCc(cc1)cc(c12)CCCC2NC(=C)CC3C(=C)NCCN3Cc4ccc(C)cc4 -MOL_01_012299,Cc1ccnc(n1)C2CCN(C2)Cc3c(N)cccc3CN -MOL_01_012300,Clc1ccc(cc1)C(CC)N(CC2)C(O)CC23CCC(O)CC3 -MOL_01_012301,NCc1ccc(cc1)CC(=O)c2nc(N)nc(c23)cccc3 -MOL_01_012302,NCc1ccc(cc1CN)C(=C)C2CCCN(C2)c3cc(CN)ccn3 -MOL_01_012303,CC(N)c1ccccc1Nc2ccnc(n2)Cc3ccccc3 -MOL_01_012304,CC(N)C(C)Cc1nc(c(F)cc1F)Cc2cccc(c2)-c3cccc(c3)CN -MOL_01_012305,CC(N)CCCCCCCCC(N)c1cc(nn1C)-c2ccc(F)cc2 -MOL_01_012306,O=C1N=NC(=O)c(c12)nc(C)n2Cc3ccccc3 -MOL_01_012307,Cc1n(C)nc(C)c1CCNC(=C)Nc2cc(C)ccc2C(=C)CN -MOL_01_012308,Cc(c1)ccc(c12)cc(c(n2)C)CCNC(N)C(C)C -MOL_01_012309,Cc1nn(C)c(C)c1CN(c2ccc(ON)cc2)CC(=O)NCc3cccnc3 -MOL_01_012310,CNCCN1CCC(CC1)CCC(=O)c2cc(Cl)c(N)c(c23)CCCC3 -MOL_01_012311,CCc1cccc(c1)CCC(=N)c2c(C)nc(n23)cc(C)cc3 -MOL_01_012312,CCc1nnc(n1C)CC2CCCN(C2=O)c3cccc(N)c3 -MOL_01_012313,NCC(=C)c1ccc(cc1)CNC(=C)C2CC=NN2C(=C)CC(N)Cc3cc(C)c(C)cc3C -MOL_01_012314,CCc(c1)ccc(c12)cc3c(c2O)cc(C(C)O)c(n3)CC -MOL_01_012315,Cc1ccc(cc1)CCCCNC(O)Cc(n2)nc(n23)nccc3 -MOL_01_012316,Cc(c1)nn(c12)c(cc(n2)C)Cc3cc(CN)cc(c3)CN -MOL_01_012317,CCC(=O)c1cc(ccn1)C(=O)C(C2C)CCc(c23)ccc(F)c3 -MOL_01_012318,CC(C)c1nc(c2n(c13)cnn3)ccc(c2)N -MOL_01_012319,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccccc3Cc4cc(N)ncn4 -MOL_01_012320,O=C1CNCN1c2ccnc(n2)CCC34CC5CC(C3)CC(C5)C4 -MOL_01_012321,Cn1ccc(c1)C(=O)CC(CC2)C23CCN(CC3)C(=O)c4ccccn4 -MOL_01_012322,CCOc1ccc(cc1)CNC(=O)c(c2)ccc(c23)CCCN3CC -MOL_01_012323,COc(c1)c(OC)cc(c12)cn(c2N)CCCC(C)Cc3ccccc3 -MOL_01_012324,Cc1cccc(n1)CC2CCC(CC2)c3nccn3CC(C)N -MOL_01_012325,Cc1cccnc1C(=O)Nc2ccc(cc2)-c3cc(CN)ccc3Cl -MOL_01_012326,C1CC1CNCC(C)Cc2cccc(c23)ccc(n3)N -MOL_01_012327,C1CCCC1NC(=O)C(C(N)CN)NC(=O)n2cnc(c23)cccc3 -MOL_01_012328,C=C(O)c(n1)cn(c12)CCC(C2)CCCC(=O)CCc3ccc(C(F)(F)F)cc3 -MOL_01_012329,Cc1ccc(cc1)NC(=O)c2ccc(cc2)-c3nc(c(o3)N)NOc4ccccc4 -MOL_01_012330,c1ccccc1C(N)(CC)N2CCC(CC2)NC(N)c3cccc(c34)cccc4 -MOL_01_012331,CCCC(C)(O)CCC(=O)c1cc(nn1C)-c2ccc(F)cc2 -MOL_01_012332,CN(C)Cc1cc(CN)c(cc1CN)-c2cccc(n2)N -MOL_01_012333,Cc1c(C(C)C)c(O)cn1C(O)N(C)c2ccc(Cl)cc2 -MOL_01_012334,Clc1ccc(cc1)NC(=O)c2ccc(N)c(c2)CCc(c3)cnc(n34)ccn4 -MOL_01_012335,c1ccccc1-c2nn(C)c(c2)CC(N)c3ccc(Cl)cc3 -MOL_01_012336,Fc1ccc(cc1)-c2cc(O)n(n2)CC(O)NCCc3ccccc3 -MOL_01_012337,Fc1ccc(cc1)-c2c(CC)c(C)nc(c2)C(N)N3CCCC3 -MOL_01_012338,NC(N)c1cccc(c1)CCC2=CCC(C(N)C2)c3cc(F)c(F)c(F)c3 -MOL_01_012339,c1cccc(c12)cc(CC)c(c2)CCc3c(O)nc(O)nc3C(C)O -MOL_01_012340,CCCc1cc(CC)nc(n12)nc(c2)C(=N)c3ccccc3 -MOL_01_012341,Clc1ccc(cc1)CC(C)CC2NCC(CN2)C(N)c3ccccc3 -MOL_01_012342,CCCc1cc(ccn1)C(N)Nc2ccc(c(F)c2)C3CCCNC3 -MOL_01_012343,Cc1ccccc1CN2CCN(CC2)CCCc3nc(N)c(c(n3)N)Cc4ccc(ON)cc4 -MOL_01_012344,COc1ccc(cc1)Cc2c(N)nc(nc2N)CCCN3CCN(CC3)Cc4ccccc4C -MOL_01_012345,Cc1cccc(c1)CCc2ccc(nc2)N(CC3(C)C)C(=N)N3C -MOL_01_012346,NOc1ccc(cc1)C(C(=N2)CCCN)=NC23CCN(CC3)C(=O)NC4CCCCC4 -MOL_01_012347,Cc1ccc(cc1)C(N)C2CCN(CC2)CC(N)Nc(c3)ccc(c34)CCCC4 -MOL_01_012348,Cc1ccc(c(C)c1)CNOc2cc(ccc2C)C(=O)NCC3CCN(CC3)c4ccncc4 -MOL_01_012349,Cc1nc(CN)c(CN)c(C)c1C(=O)C2CCCCC2 -MOL_01_012350,C1CCCC1C(=N)NC(c2cn(cn2)C3(CN)CC3)C4CCCCC4 -MOL_01_012351,Cc1ccc(cc1)CNC(=N)CCN2C(=N)C(C)Cc(c23)ccc(c3)C -MOL_01_012352,Fc1cc(F)ccc1-c2ccc(CC(=O)C)c(c2)C(=O)Nc3ccccc3 -MOL_01_012353,COc1ccc(c(c1)OC)CCc2cc(ncn2)-c3ccccc3C -MOL_01_012354,NCc(n1)ccc(c12)nccc2NC(=C)N3CCC(CC3)NCCCc4cc(C)cc(C)c4 -MOL_01_012355,C=C(N1)CCc(c12)ccc(c2)CNCCCCN3CCN(CC3)c4cccc(C)c4N -MOL_01_012356,CCCN1CCN(CC1)Cc2ccc(cc2)CNC(=O)C(C=C3)=C(C3=4)C(=O)N=CN4 -MOL_01_012357,COc1ccc(cc1F)C(N)CCCn2c(C)cc(c23)cccc3 -MOL_01_012358,CCCc(c(n1)C)cc(c12)cc(cc2)C(N)C3CCC(NC)CC3 -MOL_01_012359,CC(N)C1CCCn(c12)nc(c2)CCc3cc(F)cc(F)c3 -MOL_01_012360,CC(O)c1cccc(c12)cn(c2O)C3CCCCC3 -MOL_01_012361,Cc1cc(C)n(c(=O)c1CN)CC(=O)Cc2cc(CN)cc(c2)CN -MOL_01_012362,NC1CCC(C(=O)C)=C(C1)CC(=O)C(N)Cc2ccn(n2)-c3ccc(C)cn3 -MOL_01_012363,C=C(C)c(c1)ccc(c12)c(N)nn2Cc3cccc(C)c3C -MOL_01_012364,CCOC(N)N1CCC(CC1)CC(c2ccc(Cl)cc2)c3cccnc3 -MOL_01_012365,CC(C)(C)c1cccc(c1)C2(N)CCN(CC2)CCC(C(=N)ON)(c3ccccc3)c4ccccc4 -MOL_01_012366,C1C(=O)C=Nc(c2CN)c=1cc(c2=3)C=CC3 -MOL_01_012367,c1ccccc1Cc2ccc(cc2)C(N)Nc3nccc(n3)N4CCCC4=O -MOL_01_012368,CCc1cc(C(C)=N)c(N)cc1NCCCCC(C)(C)CN -MOL_01_012369,Cc1ccc(cc1)C(O)Nc(n2)nc(Cl)c(c23)cn(c3)C(C)C -MOL_01_012370,NCc1ccc(cc1)C(C=2)=CC(=O)C(C23)=C(N=N3)N -MOL_01_012371,c1cccc(c12)CCN(C2)C(=C)C3CCCN(C3)Cc4cc(CN)c(CN)c(c4)CN -MOL_01_012372,c1ccccc1C(C)NC(=N)C(C)(Cc2ccc(O)cn2)NC(=N)c3ccccc3 -MOL_01_012373,CCCN(C1)CCc(c12)nc(nc2C)CCC(N)Nc3ccc(C)c(Cl)c3 -MOL_01_012374,CCc1ccnc(c1CN)N2CCN(CC2)c3ccccc3 -MOL_01_012375,CN1CCN(CC1)C(O)c2cccc(c2)CN3CCN(CC3)C(O)n4cnc(c45)cccc5 -MOL_01_012376,Fc1ccc(cc1)C(=N)Nc2ccc(C)c(c2)-n3ccc(c3)-c4cccnc4 -MOL_01_012377,CCCc(c1O)ccc(n12)c(nc2)C(C)O -MOL_01_012378,c1cccc(c12)cccc2C(CC(N)N(C)C)c3cnccc3C(F)(F)F -MOL_01_012379,c1cccc(c12)C(=O)N(C2=O)Cc3ccc(CC)c(c3)C(=O)CCC(=O)NC4CCCCC4 -MOL_01_012380,CCc1ccc(cc1)C(NC(=O)C)c(c2C)cc(Cl)c(c23)cccn3 -MOL_01_012381,CCN(C1(C)C)C(N)N(C1)c2ccc(cn2)CCc3ccccc3 -MOL_01_012382,CCC(=O)NC1CCCN(C1)c2cncc(n2)CCc3ccccc3 -MOL_01_012383,NC(O)Cn1c(O)cc(c12)cc(cc2)C(O)CN3CCCCC3 -MOL_01_012384,CN1CNC(C12)NNc3c2cccn3 -MOL_01_012385,Cc1nccn1CCC(O)N(CC2(C)C)CCN2c3ccccc3CN -MOL_01_012386,CCCCC(C)c1cc(O)c(C)c(c1)CN -MOL_01_012387,Nc1cc(N)cc(c1)NC(=O)NCNc2cnn(-c3ccccc3)c2-n4cccc4 -MOL_01_012388,c1cccc(c12)CN(C2)CC(C)CNC(=O)C(C)Cc3cccc(c34)cccn4 -MOL_01_012389,c1cccc(c12)nccc2C(=C)NCC(=C)N(CC3(F)F)C(C3)CN -MOL_01_012390,Nc1ccccc1C2=C(CCC2N)c3ccccc3 -MOL_01_012391,C1NCNCN1c2c(c(N)nn2C)CCCc3ccc(NO)c(F)c3 -MOL_01_012392,CC(C)CCCC(N)c1cccc(c12)cc3c(n2)cccn3 -MOL_01_012393,CCc(c1)c(CC)cc(c12)CCN(C2)CC(N)Nc3ccccc3CN -MOL_01_012394,C=C(C)OCn1cc(OOC(=C)C)c(n1)-c2ccc(C)cc2 -MOL_01_012395,c1cccc(c12)CN=C2NCCCC(=O)C3CC(=O)N(C3)c(c4)ccc(c45)cccc5 -MOL_01_012396,C=C(O)c1nc(Cl)nnc1C(=O)C2C(=O)CC(CC2=O)CCC -MOL_01_012397,CCc(c1)c(C(=C)C)cc(c12)C=CC(NC)(NNNC)CC2c3ccccc3 -MOL_01_012398,CCCc1ccc(CN)cc1NCC(O)CN -MOL_01_012399,Clc1cc(Cl)ccc1C2CN(CC2C)C(=N)N(C)Cc3cccc(c3)CN -MOL_01_012400,NCc(c1)c(CN)cc(c12)nc(Cl)nc2CCc3cccc(C(F)(F)F)c3 -MOL_01_012401,CCCc1ncccc1C(=O)N(C)CC(=O)Nc2ccc(Cl)cc2 -MOL_01_012402,NCc1ccc(cc1)CCc2n(C)c(nn2)-c3ccccc3 -MOL_01_012403,Cn1cnc(c1)CC2CCC(CC2)C(=C)N3CCN(CC3)c4ccccc4CN -MOL_01_012404,CC(N)CCC(N)c1ccc(cn1)-c(c2)ccc(c23)cccc3 -MOL_01_012405,Clc1nnc(Cl)nc1C(=O)NCC(N=N2)=NN(N23)CNC3 -MOL_01_012406,Cc1c(C)cc(C(N)C(N)N2C)c3c2cc(c4c13)cccc4 -MOL_01_012407,NCc1cc(F)ccc1-c2cncc(n2)CNCC3CCCC3 -MOL_01_012408,c1ccccc1C(C(=O)CN)NCc2ccc(cc2)N3CCCC3=O -MOL_01_012409,COc1cc(OC)cc(c12)CC(C2=N)CC3CCN(CC3)Cc4ccccc4 -MOL_01_012410,c1ccccc1C(N)(N)C(c2ccc(cc2)NC)CC(N)Cc3ccc(NC)cc3NC -MOL_01_012411,C1CNCCC1(N)c2cccc(c2)CNc(c3)ccc(c34)c(-c5ccccc5)cc(c4)Cn6ccnc6 -MOL_01_012412,COc1c(OC)cc(cc1OC)CCCC2C(C)=NCC2Cc3ccc(O)cc3 -MOL_01_012413,NCc1c(F)cc(cc1)C(C(=O)C)N(CC2)CCC2(C)c3cccnc3 -MOL_01_012414,CCCc1c(F)ccc(c12)CC(C(N)(N)N)C(=N2)C(C)O -MOL_01_012415,c1cccc(c12)nc(N)nc2C(C)c3ccc(N)cc3 -MOL_01_012416,COc(c1)ccc(c12)nc(N)c(c2)CN(C(C)N)CCc3cccc(C)c3 -MOL_01_012417,C=C(O)c1nn(c(C)c1Cl)CCCC(=O)N2CCN(CC2)c3ccccc3 -MOL_01_012418,C1CCc(c12)ccc(c2)C3C(CN)=C(N)Cc(c34)ccc5c4cccc5 -MOL_01_012419,Cc1ccc(cc1)CNc(c2)ccc(c23)c(CN)c4n3cccc4 -MOL_01_012420,Nc1ccc(N)cc1C(=N)C2CCCN(C2)Cc3cccc(Cl)c3 -MOL_01_012421,CC(=O)CNC(=O)c(c1C)nc(C)c(c12)cccc2Cc3ccccc3 -MOL_01_012422,c1cccc(c12)cc(nc2)N3CC(C3)Cc4nccnc4C5CCCCC5 -MOL_01_012423,Cc1cccc(c1)Cc2c(N)c(nc(N)c2Cl)N3CCCCC3 -MOL_01_012424,Cc(c1)ccc(c12)cc(O)n2CCCc3ccccc3CN -MOL_01_012425,CCn1c(=O)c(C(=O)C)nc(c12)nnnn2 -MOL_01_012426,CN1C(O)=C(O)N(C)c(c12)cc(c(Cl)c2)CC(O)c3cccc(F)c3 -MOL_01_012427,c1ccccc1CCC(=C)CC(N)(N)c2nc(C)c(C)c(n2)C(=C)CCNCCN -MOL_01_012428,Cc1cc(C)cc(c1)Cc2ccnc(c23)cc(CN)c(c3)CN -MOL_01_012429,NCC(C)(CN)CCc(c1)cc2c(cccc3)c3c(c2c14)ccc4 -MOL_01_012430,CCCCC(C)C(N=1)=NC(=N)C(C12)=CC(=C2)c3ccc(C)cc3 -MOL_01_012431,Cc(c1)c(C)cc(c12)cc(c(n2)C)CCNC(=N)CC(C)(C)C -MOL_01_012432,NCNCc1c(CN)cc(cc1)C2C(=C)N(CC(=C)N2CCN)C3CCCCCC3 -MOL_01_012433,C=C(O)c1cccc(c12)c3c(cc2C(C)O)ncc(c3)CC -MOL_01_012434,Cc1ccc(F)cc1-c(c2)ccc(c23)cc(nc3)CC(=N)OC(C)C -MOL_01_012435,C=C(N)c1nccn1CCCc2c(cccc3)c3nc(c24)cccc4 -MOL_01_012436,CC(O)Cc1cn(nc1C(C)O)-c2ccc(cc2)-c3ccc(O)c(F)c3 -MOL_01_012437,Cc(n1)ccc(c12)c(Cl)cc(Cl)c2CCC(=N)NCCc3ccccn3 -MOL_01_012438,c1ccccc1-n2nc(C)c(c2C)C(N)OCC(N)N3CCN(CC3)Cc4ccccc4 -MOL_01_012439,CCc1nnc(n12)CC(CC2)C(N)c3ccccc3OCC4CC4 -MOL_01_012440,NCc(cc1)cc(c12)c(cc(n2)C)-n3ccc(c3)CNC4CC4 -MOL_01_012441,Fc1ccccc1CN2CCN(CC2)C3CC(=O)N(C3)Cc4cn(nn4)Cc5ccccc5 -MOL_01_012442,CC(=O)CCCCNC(=O)c(c1C)nc(CN)c(c12)ccc(c2)Cc3c(C)cccc3C -MOL_01_012443,O=C(N1)CCc(c12)ccc(c2)CNCCc3ccc(Cl)cc3 -MOL_01_012444,C=C(O)c1ccc(cc1)CCC(O)n2cnc(c23)cccc3 -MOL_01_012445,Cc1ccc(cc1)C(C(C)C)CCC(N)c(n2)cc(N)c(c23)cccc3 -MOL_01_012446,c1cccc(c12)cc(N)n2CCNC(=N)C3CCC(CC3)c4ncccn4 -MOL_01_012447,c1ccccc1C(=C)c(c(C)cc2C)c(C3)c2CC(C34N)C(N)(N)CCC4 -MOL_01_012448,Cc1cnc(cn1)-c2ccc(C(C)(C)C)c(C)c2N -MOL_01_012449,N1=NN=NN(N12)C(=NN=C2C(C)O)N3CCCC3 -MOL_01_012450,CC(N)Oc(c1)ccc(c12)c(N)c(cc2)-c(c3)ccc(c34)OCO4 -MOL_01_012451,Clc1ccc(Cl)c(c12)C(C)(C(C2)N)Cc3cccc(c3)C(N)(N)N -MOL_01_012452,CCOC(=O)C(C(C)(C)C)(NC(=O)CC)Nc1ccccc1ON -MOL_01_012453,NCC(=C)c1ccccc1NC(=C)C2CCN(CC2)Cc3cc(C)ccc3CN -MOL_01_012454,NCc1cccc(c1)C(N)Nc2cncc(n2)Cc3ccc(C(F)(F)F)nc3 -MOL_01_012455,CCc1ccc(CC)c(c1)C(=O)N2CNNC(C2)Nc3ccc(F)cc3 -MOL_01_012456,Cc(n1)c(C)nc(c12)c(cc(c2)C(=C)O)CCC(=O)c3ccccc3C -MOL_01_012457,C=C(O)c1ccc(cc1)C2C(CN)=C(C)CC(=C23)CC(C)(C)CC3=O -MOL_01_012458,C=C(O)c1ccc(NCCC)c(c1)C(=O)Nc2cccc(Cl)c2 -MOL_01_012459,Cc1nccc(n1)C(=O)C(C)C(C(=O)CN)c2ccccc2 -MOL_01_012460,CCC(=O)c1ccc(C(=O)CC)c(c1)NC(=O)CCC(=O)C2CCC(C(C)(C)C)CC2 -MOL_01_012461,CCc1ccccc1C(C)C2=NC(=O)C(=O)c(c23)cccc3 -MOL_01_012462,Cc1ccc(C)c(c1)CCC(N)NC2CCN(CC2)c3ccccn3 -MOL_01_012463,CC(=O)C(C(C)C)Cc1ccc(CN)c(c1)C(=O)NCc2ccc(C(F)(F)F)cc2 -MOL_01_012464,C=C(O)c(c1)ccc(c12)c(CN)c3n(c2O)c4c(c3)cccc4 -MOL_01_012465,CC(C)N(C(C)C)CC(O)COc1ccccc1C(N)CCc2ccccc2 -MOL_01_012466,COc(c1)ccc(c12)nc(cc2)C3CC(C3)Oc4ccc(cc4)C(C)CC(C)N -MOL_01_012467,CC(=O)CCc1ccc(F)c(c1F)NCc2cc(C(=O)N)cc(c2)-c3cccc(F)c3 -MOL_01_012468,Cc1ccccc1OCc2nnc(n2CC)CCC(O)N3CCN(CC3)c4ccccc4 -MOL_01_012469,CCCC(=NC1N)CC12c3c(CC(C2)(C)C)ccc(N)c3 -MOL_01_012470,CCCCN(CC1)CCC1(c2ccccn2)CNC(O)c3ccccc3CC(F)(F)F -MOL_01_012471,CCOc1ccc(OCC)c(c1)NC(=N)c2ccc(cc2)CNc3c(c(=N)c3=N)N4CCCC4 -MOL_01_012472,CCCCCCNC(O)c(c1C)c(C)nc(c12)cccc2 -MOL_01_012473,CCC(N)c(nc1)cc(c12)ccc(c2)CCCC(N)Cc3cc(C(F)(F)F)ccc3ON -MOL_01_012474,CCOc(c1)ccc(c12)cc(cc2)-c3nn(C(C)(C)C)cc3C(C)=N -MOL_01_012475,NCc1cccc(CN)c1CC(C)CCCC(C)Nc2ccc(CN)cc2 -MOL_01_012476,CC(N)c(c1)cnc(c12)n(cc2)C3CCCC3 -MOL_01_012477,Cc1ccccc1C(=O)Nc2ccc(cc2)-c3cc(ON)ccc3C -MOL_01_012478,CCCC(=O)c1cnn(CC(C)CC)c1CC(=O)CCc2ccccc2 -MOL_01_012479,Cc1cccc(c1)CCc2cc(ncn2)-c3ccccc3N -MOL_01_012480,C1CCCC12CC(=C)N(C2=C)CCCCN3CCN(CC3)c4ncccc4CN -MOL_01_012481,CCCc1cccc(c1)C(O)Nc2cnn(c2)Cc3ccccc3 -MOL_01_012482,c1ccccc1Cn2c(nnc2C(CC)N(C)C)CCC(N)NCC3CCCC3 -MOL_01_012483,CC(=O)CCc1ccc(c(C)c1)NC(=O)C(C)Cc2ccccc2F -MOL_01_012484,CCc1ccccc1C2CN(CC2=O)C(=O)CCC(=O)c3ccc(F)cc3 -MOL_01_012485,Fc1ccccc1C2CN(CC2)C(O)CCCn3ccnc3CN4CCCCC4 -MOL_01_012486,c1ccccc1N(CCN)C(=O)CCC(=O)CCCNC(=O)c2ccc(Cl)cc2 -MOL_01_012487,c1ccccc1CC2(N(CC)CCC2)C(N)NCc3ccccc3 -MOL_01_012488,CCC(N)c1cc(ccc1C)CN2CCN(CC2)c3ncccc3C -MOL_01_012489,Cc(n1)cc(C)n(c12)cc(c2CN)N3CCCCC3 -MOL_01_012490,Oc1ccc(cc1)CN2CCC(C2N)N3CCC(CC3)c4ccc(O)cc4 -MOL_01_012491,c1ccnc(c12)c(cc(c2)C)NC(N)CCCN(CN)CN -MOL_01_012492,Cc1cc(N)nc(n12)nnc2CCc3ccc(Cl)c(Cl)c3 -MOL_01_012493,CCCC(N)c1c(C)nc(n12)cc(C)cc2C -MOL_01_012494,C1CCCc(c12)c(CN)c(N)nc2CCC -MOL_01_012495,CC1CCC(CC1)c2nc(cccn3)c3n(c24)ccn4 -MOL_01_012496,c1ccccc1NCc2nnc(n2CC)CCC(=O)Nc3ccc(cc3)C(=O)N(C)C -MOL_01_012497,COc1ccc(c(c1)OC)CNC(=N)CC2c(cccc3O)c3C(=N)c(c24)c(O)ccc4 -MOL_01_012498,Cc1cccc(c1)NC(O)Nc2ccc(cc2)-c3ccc(N)c(c34)C(O)NC4 -MOL_01_012499,c1nccc(c12)CN(C2)C(=O)NCc3ccc(cn3)CC4CCN(CC4)C5CCCCC5 -MOL_01_012500,c1cccc(c12)c(cc(n2)C)COc3ccc(cc3)CC(=O)CC(CCCC4)C45CC(=O)CC5=O -MOL_01_012501,Cc1ccc(cn1)Cc2cncc(n2)NC(=O)c3cccc(n3)C -MOL_01_012502,C=C(O)c(c(Cl)n1)nc(c12)c(ccc2)CCCc3nnc(Cl)nn3 -MOL_01_012503,CCCC(N)Nc1ccc(cc1)C(N)N2CCCc(c23)cccc3 -MOL_01_012504,NCn(cn1)c(c12)ccc(c2)C(=N)Nc3ccc(Cl)cc3N -MOL_01_012505,CCCc1ncccc1C(=O)N(C)CC(=O)Nc2ccc(F)cc2 -MOL_01_012506,c1ccccc1CC2NC(=N)C(=C(C2)O)C(=N)Nc3ccc(cc3)C4CCCCC4 -MOL_01_012507,Cc1ccc(cc1)C(N)Cn2c(N)cnc2-c3ccccc3 -MOL_01_012508,c1cc(Cl)cc(c12)CCC2C(N)Cc3ccc(nc3)OCc4ccccn4 -MOL_01_012509,Cc1ccc(C)c(c1)OCC(=N)CC2CCN(CC2)c3ccccn3 -MOL_01_012510,NCc1cccc(c1)CCC(=O)N2CCC(CC2)N3CCCC3=O -MOL_01_012511,OC1=CC(O)=C(O)C(N12)=C(O)N(C=C2)Cc3ccc(F)cc3 -MOL_01_012512,Clc1ccc(cc1)-n(c2)c(N)c(c23)cnc4c3cc(Cl)cc4 -MOL_01_012513,Cc1cc(C)nc(n1)Cn(c2=N)cnc(c23)c(CN)ccc3 -MOL_01_012514,C=C(O)c(c1)ccc(c12)CC(C)(C)N=C2C(O)CCC -MOL_01_012515,CCc1ccccc1NC(O)C2CCC(CC2)Cc3cn(C)cn3 -MOL_01_012516,c1ccccc1N(C(=C)CO)C2(OCN)CCN(CC2)CCn3cccc3 -MOL_01_012517,CCN(CC)C(O)Cn1ccc(c12)cc(cc2)NC(O)C3CCCC3 -MOL_01_012518,c1ccccc1-n2c(nnc2N)CCC(=O)N(C(N)N)Cc3ccccc3 -MOL_01_012519,Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)CCC(=O)NC2CCCC2 -MOL_01_012520,C=C(O)c(c1)ccc(c12)nc(-n3cncc3)nc2CCc4ccccc4 -MOL_01_012521,CC(C)(C)Oc1ccc(cc1)CCC(O)c2ccccc2O -MOL_01_012522,CCCc(c(C)c1)cc(c12)c(C(N)(N)N)cc(n2)N -MOL_01_012523,CCCCCC(=O)CN(C)CC(C1)=C(C(=O)C)N(C12)C(=O)C2C(C)C -MOL_01_012524,NC1CC(C)(C)Cc(c2C(C)(C)CC)c1c(CN)c(c23)ccc(c3)N -MOL_01_012525,C=CC(=C)c(n1)cc(n12)CC(CC2)C(=C)c3ccc(CN)cc3 -MOL_01_012526,NC(N)(N)CC(=C)Nc1cc(N)n(n1)Cc2cc(C)ccc2CCc3ccccc3 -MOL_01_012527,NCc1ccc(cc1)NC(=O)CCC2=NC(=O)C(C(=O)N2)c3ccccc3 -MOL_01_012528,Cc1ccccc1CCN(CCCC2)C23CCc4c(C3N)ccc(c4)CN -MOL_01_012529,NCc1cccc(n1)C2C(CCC3)=C3CC(=C24)CCC4=O -MOL_01_012530,C12CCC(C1)CC(C2)Cc3n(C)c(=O)cc(n3)-c4ccncn4 -MOL_01_012531,NCCc1c(N)nc(n12)c(ccc2)CCc3ccccn3 -MOL_01_012532,Cc(n1)cc(C)n(c12)ccc2C(=O)Nc3ccc(CN)c(c3)CN -MOL_01_012533,CC(C)c1ccc(cc1)C(N)c2cn(cn2)-c3cc(Cl)ccc3N -MOL_01_012534,CCCC(=O)c(c1)cc(C)c(c12)N=C(CN2)c3ccccc3 -MOL_01_012535,Nc1ccccc1C2(CCCCC2)C(=C)NCCN3CCC(N)CC3 -MOL_01_012536,CC(=O)N1CCC(CC1)Cc2ccc(cc2CN)C(=O)NC(C3)Cc(c34)cccc4 -MOL_01_012537,NCCCN(C)C(=O)CCC(=O)c1cccnc1Nc2ccccc2F -MOL_01_012538,NCC(N)Cc1c(CN)c(C)c(C)n1Cc2ccccc2 -MOL_01_012539,Cc1cc(C)cc(c1)OC2OC(=O)N(C2=O)c3nc(C)cc(n3)C -MOL_01_012540,C=C(C)c1ccc(cc1)NCCC(N2)CNc(c23)nc(N)nc3C -MOL_01_012541,CCCCNCc1cccc(c12)CCN(C2)C(Cl)c3cnccn3 -MOL_01_012542,CCCc1ccccc1CN(C(O)N2)C(O)C23CCCCCC3 -MOL_01_012543,Nc1ccc(cc1)-c(c2)cc(n23)CC(N)CC3 -MOL_01_012544,CCCC(N)Cc1ccc(cc1)CC(N)n2ncc(c23)c(C)ccc3 -MOL_01_012545,Nc1ccc(cc1)-c2cc(C(CC34)C(C3)CC4)cnc2N -MOL_01_012546,CC(C)c1ncnc(c1C)-c2ccc(N)c(N)c2 -MOL_01_012547,Cc1cccn(c12)c(=O)nc(n2)CCC(=O)Cc(c3)ccc(c34)CCC4 -MOL_01_012548,Cc1cccc(c1)N(C2N)C(C)Nc(c23)ccc(c3)N4CCCC4 -MOL_01_012549,NCc1ccc(cc1CN)C(CC(=C)C)NC(=C)c2ccccc2 -MOL_01_012550,CC(C)(C)c1ccc(cc1)CCC2CC(N)N(C2)c3cccc(c3)CN -MOL_01_012551,c1ccccc1-n2nc(cc2C)C(O)N3CCN(CC3)CC(O)c4ccc(F)cc4 -MOL_01_012552,C1CCCC=C(N12)CC(C(N)(N)N)(CC2=N)c3ccccc3 -MOL_01_012553,c1ccccc1-c2ccc(cc2)CC(C(=O)C)CC(=O)C(C)NC(=O)c3cccc(c3)N(C)C -MOL_01_012554,O=C(O)c1c(N)c(c(N)n1C)CCCCCCCCCCCN -MOL_01_012555,NCOC(=O)C1(N)CCN1C(=O)c(c2)ccc(c23)cccc3 -MOL_01_012556,NCc1nccnc1N2CCC(C2)CCCc3ccccc3 -MOL_01_012557,CCc1cccc(C(=O)C2)c1C23CCC(CC3)C(=O)N(C)CCN4CCCCC4 -MOL_01_012558,C1CCCCC1NC(N)c2ccc(C)c(c2)CCc(c3)cnc(n34)ccn4 -MOL_01_012559,COc1ccccc1CCC(N)COc2ccccc2C(N)c3cnn(c3)-c4ccccc4 -MOL_01_012560,CC(C)C1=NN=C(C1=2)C(=O)N=C(N2)CC3CCCCC3NC(=O)CN4CCCC4 -MOL_01_012561,CCC(=O)C1CCN(CC1)Cc2c(C)n(C)c(=O)n(C)c2=O -MOL_01_012562,C1CNCCc(c12)c(CN)c(cc2CN)CN3CCC(CC3)Cc4ccccc4Cl -MOL_01_012563,Nc(c1)ccc(c12)CC(CN)CN2C(=C)Nc3ccccc3C -MOL_01_012564,CCc1ccc(cc1)NCC2C=NN=C(C2=3)C=Cc4c(N3)cc(cc4)CC -MOL_01_012565,CCCc1ccc(cc1)CC(N)N2CCC(CC2)C(N)c3ccc(F)cc3 -MOL_01_012566,O1COc(c12)ccc(c2)CNC(=N)C3(C)CCN3C(=N)Cc4cccc(c45)cccc5 -MOL_01_012567,c1ccccc1C(c2ccccc2)C3(C)NC(N)(N)CC3NCc4ccccc4 -MOL_01_012568,Cc1ccc(cn1)C(O)N(C)Cc(n2CN)nc(c23)cccc3 -MOL_01_012569,CC(=O)c1cncc(c1)Cc(c2)ccc(c23)c(ccc3)CC(=O)c4ccccc4 -MOL_01_012570,c1cccnc1NC(=O)CN2CCN(CC2)CCCc3cccc(c34)cccc4 -MOL_01_012571,CCCC(O)C(O)Cc(c1O)ccc(c12)cccc2 -MOL_01_012572,NC(=O)C12CC3CC(C1)C(C(C3)C2)NC(=O)c4cccc(c4)NCc5cc(Cl)cc(Cl)c5 -MOL_01_012573,OC(N1)CCc(c12)cc(cc2)CNc(c3)ccc(c34)nccc4 -MOL_01_012574,Nc1nn(cn1)C(=C)Nc2ccc(cc2CC)-c3ccc(c(c3)CC)NC(=C)n4cnc(n4)N -MOL_01_012575,c1cccc(c12)cc(C)c(c2)C(=O)Nc3c(Cl)cc(CN)cc3CN -MOL_01_012576,CC1CC(CN)N(C1)C(=O)CNC(C)(C)CC(=O)NC2CCCC2 -MOL_01_012577,N=C1NC(N)C(=N)N1CC(c2cccc(Cl)c2)CCN3CCC(CC3)c4ccccc4 -MOL_01_012578,Fc1ccc(cc1)NC(=O)CCCN(c2ccccc2)C3=NCc(c34)cccc4 -MOL_01_012579,c1ccccc1Cc2ccc(cc2)CCCn3cnc(c34)cncn4 -MOL_01_012580,c1cncn1-c2ccc(N)c(c2)CCCN3CCN(CC3)c4ccccc4Cl -MOL_01_012581,c1cccc(c12)nc(c(=N)n2C)COc3ccc(cc3)C(=N)c4ccccc4 -MOL_01_012582,NCc1cc(ccc1)CC(N)N(C)C2CCN(CC2)c3ccccn3 -MOL_01_012583,NCc1ccc(c(F)c1)CN2CCC(CC2)Cc3ccc(cc3)C(N)NCc4ccccn4 -MOL_01_012584,C1CCC1CNC(=C)c2ncccc2NC(=C)c3ccc(CN(C)C)c(c34)cccc4 -MOL_01_012585,CCCc1nc(C)c(CN)cc1-c2ccncc2 -MOL_01_012586,Cc(n1)ccc(c12)c(Cl)cc(Cl)c2CCC(=N)NC3CCCC3 -MOL_01_012587,COc1ccc(cc1)NC(CC2(C)C)=C(C(N)C2)C(N)c3ccccc3 -MOL_01_012588,C12CC3CC(C2)CC(C1)C3NC(=C)Nc4cccnc4Cc5ccccc5C(N)(N)N -MOL_01_012589,c1ccccc1CN2C(=N)C(CC(=C2C)C(=N)N(C)C)CC(=N)NCC3CCCCC3 -MOL_01_012590,c1cncnc1CN(C)C(=O)C2(CCNCC2)Cc3ccc(Cl)cc3 -MOL_01_012591,CC(C)CC(C(=O)C)NC(=O)C(CC)Cc1ccccc1 -MOL_01_012592,NCc1ccc(cc1)C(NC2O)Nc(c23)nccc3 -MOL_01_012593,CC(N)CC(C)Cc1cncc(c1)-c2ccc(cc2)C3CCOCC3 -MOL_01_012594,c1ccccc1C(CC(C)=N)C(C(=N)C2)=C(C)c(c23)cccc3 -MOL_01_012595,c1cccc(c12)nc(cc2C)CCC(=O)OCC(=O)N(C)c3ccccc3 -MOL_01_012596,Cc(n1)ccc(c12)ccc(c2O)C(=N)CCCc3ccc(F)cc3 -MOL_01_012597,CC(N)Nc1ccccc1OCCCN2CCC(CC2)C(N)(c3ccccc3)c4ccccc4 -MOL_01_012598,c1ncncc1N(C2N)CCC23CCCN(C3)Cc4cccnc4 -MOL_01_012599,C=C(O)c(c1)ccc(c12)cc(O)n2Cc3cccc(N)c3 -MOL_01_012600,CC(C)(C1)C=Cc(c12)c(CN)c(cc2)C(=O)Nc3ccc(CN)c(c3)CN -MOL_01_012601,Cc1ccc(c(Cl)c1)CNC(C)(C)C(=O)NC(C(C2)CC(C3)C4)C3CC24C(=O)N -MOL_01_012602,NCc(c1)c(CN)cc(c12)nc(nc2C)C3CCC(CC3)CCCCCN -MOL_01_012603,Cc1ccc(cc1)C(N)Cc(c2)ccc(c23)nc(C(C)N)cc3C -MOL_01_012604,CCC(=O)C(C12)=C(C(C1)CC2)c3ccc(N)cc3N -MOL_01_012605,C=C(C)c1cnc(C)n1CCC(C2O)C(O)c(c23)cccc3 -MOL_01_012606,NCc(c1)c(C)cc(c12)c(cnc2)Cc(c3)cnc(c34)cccc4 -MOL_01_012607,NC(N1)CCc(c12)ccc(c2)CCCCN3CCC(CC3)N4CCCC4 -MOL_01_012608,Cc1ccc(cc1C)NC(=C)C2=NCN(CC2)c3ncccc3C -MOL_01_012609,NCc1ccccc1C(=O)NC(=O)CCc2ccc(Cl)cc2Cl -MOL_01_012610,NCc1ccc(cc1)CCC(=O)Cn(c2=O)ncn(c23)ccc3 -MOL_01_012611,Oc(c1)ccc(c12)C=C3C(\O2)=N\c4c(cccc4)/C=C(\[H])c5c(\N=C\3O)cccc5 -MOL_01_012612,NOc1cccc(c1)C(=O)NC(C=2)=Nc(c23)ccc4c3=CC(=N4)NCc5ccccc5 -MOL_01_012613,NCc1ccc(cc1)NC(C)CCC(C)c2cccnc2Cl -MOL_01_012614,CC(C)CC(N)c1cccnc1CCC(N)Nc2ccc(C(F)(F)F)cc2Cl -MOL_01_012615,CC(N=1)=NC(=O)C(C12)=CC(=C2)c3ccc(C)cc3 -MOL_01_012616,c1ncnn1CC(C)(C(=O)CCN)c2ccc(Cl)cc2Cl -MOL_01_012617,Cc1ccc(c(n1)C)Cc2ncnc(c2C)CC3CCN(CC3)C(=O)CC(C)C -MOL_01_012618,c1cccc(c12)CC(C2N)(C(=O)CCC)c3ccccc3 -MOL_01_012619,Cc1cc(C)c(c(Cl)c1)CCCN(C(=O)N2)C(=O)C2(C)C -MOL_01_012620,c1ccccc1C(N)CC(=O)NCn2cnc(c2)-c3ccccc3 -MOL_01_012621,CCc1c(CC)c(N=NN(N2)C)c=2c(c13)=NN(N=N3)C -MOL_01_012622,CCc1ccc(C(=O)C)cc1CCn2cnc(c23)C(C)CN=CC3 -MOL_01_012623,CCc(c1)ccc(c12)cc(N)n2Cc3cccc(c3)CN -MOL_01_012624,COc1ccc(cc1OC)C2CC(=CN2CCN)c(c3)ccc(c34)cccc4 -MOL_01_012625,Cc(n1)c(C)nc(c12)cc(c(c2)C(N)(N)N)-n3cccc3 -MOL_01_012626,NCc1c(CN)c(CN)cc(c12)CC3C(CCC3=O)Cc4c2cc5c(c4)CCC5 -MOL_01_012627,C=C(O)c1ccc(C)c(c1)CC(O)C(O)Cc2cccc(O)c2C -MOL_01_012628,Fc1ccc(cc1)-c2cc(N)n(n2)CC(N)CCCc3ccccc3 -MOL_01_012629,c1ccccc1NC(N)Cn2c(N)cc(c23)cc(cc3)C(N)c4ccccc4Cl -MOL_01_012630,C=C(C)C1=C(C)CC(C)=NC1c2ccccc2C(N)(N)N -MOL_01_012631,CNC(N)c(c1)cccc1-c(cc(c23)cc(NC)c(c2)NC)cc3C4CCNCC4 -MOL_01_012632,Cc1cccc(O)c1-n2cnc(c2)C(N)c(c3)ccc(c34)cccc4 -MOL_01_012633,C1CCC1c2ccc(cc2NC(C)=N)C(=N)N3CCC(CC3)c4ccc(CN)cc4 -MOL_01_012634,CCCC(=O)c(n1)nc(C)c(c12)cc3c(n2)cccc3 -MOL_01_012635,COc1c(OC)cc(cc1OC)Cc2cncc(n2)Oc3cccc(c34)c(ccc4)CC(C)O -MOL_01_012636,c1cccc(c12)C(=O)CC(C2)(C)C(=O)Nc3cccc(C(F)(F)F)c3 -MOL_01_012637,COc(c1)c(OC)cc(c12)nncc2CCc3ccc(C)c(C)c3 -MOL_01_012638,NCc1ccc(c(c1)CN)-c2cccc(n2)-c3ccccc3CN -MOL_01_012639,CC(C)(C1)CCCC1(C)c(c2C(C)C(=N)NC)ccc(c23)CNC3=N -MOL_01_012640,NCC(=C)c1cc(CN)c(nc1C)Cc2ccc(CN)cc2 -MOL_01_012641,NCc1nccnc1NCC(N)N2CCC(CC2)Cc3ccccc3Cl -MOL_01_012642,CCCc1cccc(c1)CN2CCC(CC2)NC(N)c3ccc(Cl)nc3Cl -MOL_01_012643,C=c1nc(N)nc(c1=2)N=C(N2)CCc3cccc(F)c3 -MOL_01_012644,Cc1ccc(cc1)-c2cnc(Cl)c(c2)Cn3cnc(C=O)c3 -MOL_01_012645,NCc1ccccc1N2CCN(CC2)CCCC3CCCc(c34)c(CN)ccc4 -MOL_01_012646,NCC(C1)C12c3c(N=C2N)cccc3 -MOL_01_012647,c1ccccc1-n2nc(cc2C)C(=O)CC(C(=O)CCC(C)C)Cn3ccnc3 -MOL_01_012648,Clc1c(F)c(F)ccc1C(N)N2CCN(C(N)C2)c3ccc(F)cc3Cl -MOL_01_012649,Cc(c1)ccc(c12)CCC(=C2)CNC(C3)CCc(n34)ncn4 -MOL_01_012650,CC(=O)C1CC1C(=O)c2ccc(cc2CN)N(CC3CC3)c4ccc(Cl)cc4 -MOL_01_012651,C1CCCC1n2nc(C)c(c2C)CNC(C)CCc3cccc(c34)cncc4 -MOL_01_012652,CNC(C)C(=N)Nc1cc(-c2ccccc2F)cc(n1)CCc3ccccc3 -MOL_01_012653,CCC(N)c1ccc(Cl)c(c1C)C(=O)c2cccnc2 -MOL_01_012654,CN(C)Cc1ccc(c(c12)cccc2)C(=N)Nc3cccnc3C(=N)NCC4CCC4 -MOL_01_012655,c1ccccc1Cn2cnc(c2)C(=O)Nc3ccc(cc3)-c4cn(cn4)Cc5ccccc5 -MOL_01_012656,Cc(c1)ccc(c12)c3c(C2(N)C(N)(N)N)cccc3C -MOL_01_012657,C1C=CCC1C(N)N(C2)CCc(c23)c(cnc3)CCCc4ccncc4 -MOL_01_012658,Cc1ccc(c(N)c1)CC(C2N)=C(Cl)C(N)c(c23)cccc3 -MOL_01_012659,CNC(=O)CCc1ccc(cc1)Cc2c(cccc3)c3nc(c24)c(CN)ccc4 -MOL_01_012660,Cc1ccccc1-c2cnc(cn2)CC(C)N -MOL_01_012661,C1CCCCC12C(CN)=C(C)N3C(=C2CN)C=C4C3(C)CCCC4 -MOL_01_012662,c1cccc(c12)ccc3n2c(cc3CN)C(N)c4ccccc4 -MOL_01_012663,CC(=O)c1ccnc(c1)CC(CC2)CCc(n23)nc(c3)N -MOL_01_012664,CCc1ccc(cc1)/N=C/c(c2)ccc(c23)ncc(c3N)C(N)NCc4ccc(C)cc4 -MOL_01_012665,c1ccccc1-n2c(nnc2C)C3CCC(CC3)c4ccccn4 -MOL_01_012666,Cc1cccn(c12)c(=O)cc(n2)CCc3ccc(cc3)CC(=O)C(C)C -MOL_01_012667,CCNCNc(c1)cc(N)c(c12)C(N)NC(C)CCCCCCC2 -MOL_01_012668,CCCNNCCc(n1)nc(O)c(c12)c(CC)cc(c2)O -MOL_01_012669,C=C(O)c1cc(CN)cc(c1)Cc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_012670,COc1cc(OC)cc(c1)C(=N)NCC(=N)OCC(=N)c(c2)ccc(c23)Cc4c3cccc4 -MOL_01_012671,C1CCCCN1C2=NC(=O)C(C2)CC(=O)Nc3cccc(c3)C(=O)NCc4ccc(F)cc4 -MOL_01_012672,CCc(c1)ccc(c12)cc(c(n2)C)CCNC(N)C(CC)CC -MOL_01_012673,CC1(C)CC1(N)C(=O)NCCc2ccccc2ON -MOL_01_012674,Cc1nc(N)nc(c1NO)NCCCCc2ccc(Cl)cc2 -MOL_01_012675,Cc1ccc(cc1)CC(N)N(C)C(C(C)C)c2cccnc2 -MOL_01_012676,CCCCCc1cccc(c12)cc([n+]([O-])c2)C(=O)CC3CC3 -MOL_01_012677,Cc1ccc(cc1)C(N)N(C2CCCC2)Cc(n3)nc(C)c(c34)cccc4 -MOL_01_012678,Cc1cc(C(=O)ON)c(ON)cc1NC(=O)C(C)C -MOL_01_012679,Cc(n1)nc(C)c(c12)nc(cc2)CCc3ccc(CN)c(c3)CN -MOL_01_012680,CC(C)c1cc(O)cc(c12)nc(O)nc2O -MOL_01_012681,c1cnc(n12)CC(=C)CC2c3ccc(N)cc3 -MOL_01_012682,NCc1cccc(c1)-n2c(CCC(=O)N)nnc2CNc3ccc(F)cc3 -MOL_01_012683,CCCCc1ccnc(c12)nc(c(c2)N)C3CCCC3 -MOL_01_012684,CC(C)(C1)CCc(c12)ccc3c2C(N)C(N)C=C3F -MOL_01_012685,CC(=O)C(C)CC(=O)c(c1C)cnc(c12)cc(C(F)(F)F)cc2 -MOL_01_012686,c1ccccc1C(N)CCC(N)Nc2ccccc2N3CCCCC3 -MOL_01_012687,NOc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)Cc(c4)ccc(c45)cccc5 -MOL_01_012688,Cc1cccc(C)c1N(C)Cc(cc2C(=O)O)cc(c23)OCCO3 -MOL_01_012689,Clc1nccnc1NCC(O)N2CCC(CC2)Cc3ccccc3Cl -MOL_01_012690,n1ccnc(c12)C(O)c3c(C2O)ccc(c3)CN4CCCCC4 -MOL_01_012691,CC(N)c1cccc(c1)CCc2ncc(CN)c(c2CN)-c3ccccc3 -MOL_01_012692,Fc1ccc(cc1)NC(=O)c2ccc(nc2)CCC(=O)c3ccccc3C(F)(F)F -MOL_01_012693,Cn1cccc1-c2nccnc2CC3CCN(C(N)O)CC3 -MOL_01_012694,c1ccnc(c12)cccc2CC(=O)CC(C(=O)C3)C(=O)C34CCCCC4 -MOL_01_012695,CN1CCN(CC1)C(=O)Cc2cccc(c2)-c3cc(nc(n3)N)-c4ccccc4 -MOL_01_012696,OC1=NC(O)CC1Cc2c(C)c(ccc2)OCCc3ccccn3 -MOL_01_012697,NCC1CCC(CC1)CNc2nc(ncc2C(=C)O)NCCCCc3ccccc3 -MOL_01_012698,NCc1ccc(cc1)NC(=N)C(c2ccccc2)N(C3=N)Cc(c34)cccc4 -MOL_01_012699,NCc1c(CN)cc(cc1CN)C(C2)C2(C(=C)CCC)C(=C)NCc3ccc(C)cc3 -MOL_01_012700,c1ccccc1C(C)CC(=O)c2nn(C)c(=O)c(c23)cccc3 -MOL_01_012701,NNCN(CNN)C(N1)NCn(c12)c(cc2)-c3ccccc3 -MOL_01_012702,CC(C)CC(=O)Nc1ccc(cc1)C(=O)CCC(=O)C2CC(=O)N(C2)Cc3ccccc3 -MOL_01_012703,c1cccc(c12)c(cc(n2)C)C(=N)NCC(=N)Nc3c(C)cccc3C -MOL_01_012704,CNC(=O)N(C)C1c(cc(C)cc2)c2Cc(c13)nccc3 -MOL_01_012705,Cc1cccc(c1)Cn2nc(C(C)(C)C)cc2C(N)C3CCOCC3 -MOL_01_012706,C1CCCCC1(CN)C(=C)NC2CN(CC2C(C)C)c3cnccn3 -MOL_01_012707,c1ccncc1Cc2ccc(cc2)NC(=C)C3CCCCN3Cc4nccn4CC -MOL_01_012708,Clc1cc(CN)c(cc1C)NC(=O)CN(C)Cc2cccc(CN)c2CN -MOL_01_012709,Cc1ccc(cc1F)NC(=O)CN(C)Cc2cccc(c23)cccn3 -MOL_01_012710,Fc1cc(ccc1)NC(=O)Cc2cccc(c2)Cc(n3)ccc(n34)ncc4 -MOL_01_012711,CCCc1ncccc1CCC(=O)N2CCN(CC2)Cc3cncn3Cc4ccc(CN)cc4 -MOL_01_012712,Nc(c1)ccc(c12)CC(CC2N)c3ccccn3 -MOL_01_012713,CC(=N)N1CCCc(c12)cc(cc2)CNc3cc(CN)c(CN)c(c3)CN -MOL_01_012714,Cc(n1)nc(C)c(c12)c(ccc2)CC(N)c3ccccc3 -MOL_01_012715,NCCC(=O)c1ccn(c1C2CC2)-c3cccc(F)c3 -MOL_01_012716,CCc1ccc(cc1)CNC(=C)c2cc(N)c(CN)c(n2)CCC3CCCC3 -MOL_01_012717,CC(=O)CCC(=O)N1C(=O)C(CCN1C)Cc2ccc(nc2)Cc3ccc(C)cc3 -MOL_01_012718,Fc1cc(F)ccc1-c2cc(C(=O)NC)c(cc2)CC(=O)c3ccccc3 -MOL_01_012719,COc1ccc(cc1)-c2cc(-c3ccc(C)cc3)nc(n2)CC(N)CC4CCOCC4 -MOL_01_012720,CC(C)c1ccccc1OCC(O)CN2CCN(CC2)CCN(C3=N)C(=N)c4cccc(c4c35)ccc5 -MOL_01_012721,CCCCc1cc(C(=O)C)cc(NC=O)c1C(=O)c2ccccc2 -MOL_01_012722,C=C(O)c1cnc(N)n1CCN2CCN(CC2)c3cccc(C(F)(F)F)c3 -MOL_01_012723,CCCC(=O)C(N=1)=NC(=O)C(C12)=C(C)C(=C2)C(=O)C -MOL_01_012724,Fc1ccccc1CCc2cccc(c23)n4c(nc3)ncn4 -MOL_01_012725,c1ccc(F)c(c12)c(N)cc(n2)C(C)NC(N)OCc3ccccc3 -MOL_01_012726,NCc1ccc(cc1)C(C2(C)C)=C(C(=O)C2)Nc3ccccc3 -MOL_01_012727,Fc1ccc(cc1)CNC(=O)CC(C)CC(=O)Nc2ccc(CN)cc2CN -MOL_01_012728,NCc1ccc(cc1)C(=C)C2C(c3ccc(CN)cc3)=NCc(c24)cccc4 -MOL_01_012729,CC(C)(C)c1cnc(c(Cl)c1)NC(N)CCC(N)c2cccc(c23)cccc3 -MOL_01_012730,O=C(N=1)N=c(c12)ccc(c2)C3=NN=C(CC3)Nc4cccc(C(F)(F)F)c4 -MOL_01_012731,C1CCc(c12)ccc(c2)C(O)Nc3cccnc3N4CCCCC4 -MOL_01_012732,CCCCNc1ncc(c(n1)NC2CCC(C)CC2)C(C)NCc3ccc(CN)cc3 -MOL_01_012733,N=C1N=C(N)N=C(C1=2)C(=CN2)Cc3ccc(cc3)CCc4ccccc4 -MOL_01_012734,CCC(=O)c(c1)ccc(c12)nc(n2C)C(N)(N)N -MOL_01_012735,c1cncnc1NCc(c2)ccc(c23)c(ncc3)CCc4ccc(cc4)-n5ccnc5 -MOL_01_012736,COc1ccccc1CNCCCCN(C2N)C(N)c3cccc(c3c24)ccc4 -MOL_01_012737,Fc1ccc(cc1)-c2nc(N)c(C)c(n2)C(N)NCc3cccc(Cl)c3 -MOL_01_012738,n1cccc(c12)CN(C2)C(N)c3ccc(OC(F)F)c(c3)CCc4ccccn4 -MOL_01_012739,C1CCCCN1CCN(C)C(O)N(CC2)CCC23Nc4c(C(O)N3)cccc4 -MOL_01_012740,OC1C(=C)C(O)Cc(c12)cc(c(c2)CC)-c3ccccc3 -MOL_01_012741,CCC1CC(C=C1N)n2cc(N)c(C)nc2=O -MOL_01_012742,Cc1cccc(c1)NCCC(=O)NCCc(c(Cl)c2)cc(c23)CCC(=O)C3 -MOL_01_012743,c1nnc(n12)ccc(c2)C(=O)C3CCCC(C3)n4ccnc4 -MOL_01_012744,NCc(c1)c(CN)cc(c12)c(CCC)nc(C)c2CCC(=C)CN -MOL_01_012745,CCn1ccnc1CN2CCCC(C2)C(N)c3ccc(CN)cc3 -MOL_01_012746,CC(=O)c1cccc(c1)-n2cnc(c2)C3(O)CCCCC3 -MOL_01_012747,Cc(n1)ccc(c12)cc(cc2)-c3ccccc3C(N)(N)N -MOL_01_012748,Oc1ccc(cc1)-c(c2N)ccc(c23)cc(cc3)CCCCCC(N)O -MOL_01_012749,CCC(=O)C1=C(C)CC(C)=C(CN)C1c2ccc(N)cc2Cl -MOL_01_012750,C=C(C)c1ccc(cc1)CC(CN2)CNC23CNC(C3)CN4CCN(CC4)c5ccccc5CN -MOL_01_012751,c1cccc(c12)c(N)n(c2)CC(N)Cc3cccc(C(F)(F)F)c3 -MOL_01_012752,CC1CCCC(C)C1C(=O)CCC(=O)c2nn(C)c(=O)c(c23)cccc3 -MOL_01_012753,Cc1cc(C(N)O)c(nc1C)N(CC2(C)C)CC2C -MOL_01_012754,C1CCC1CCCC(=O)CCCCn(c2=O)cc(n23)cccc3 -MOL_01_012755,c1ccccc1CC(N2C(=N)CC2C)C(=N)NCC3CCCCC3 -MOL_01_012756,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccccc3Oc4ccnc(c4)CN -MOL_01_012757,Clc1ccccc1NC(=O)C(C)CC(=O)c2nc(Cl)ccc2Cl -MOL_01_012758,COCCC(N)C1CCC(CC1)Oc2ccc(cc2)C(N)CCCc3ccccn3 -MOL_01_012759,CCC1CCN(C1)c2nccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_012760,Clc1cnc(cc1)C(=O)NC23CCCC(C2)(CC3)CCc4ccccn4 -MOL_01_012761,CC(=N)c(c1)ccc(c12)c3c(ccnc3)c(n2)Cc4cccc(C)c4 -MOL_01_012762,C1CN(C)CCC1(CN)c2ccc(CN)cc2 -MOL_01_012763,c1cccnc1CCc2cnc(CC(=O)CC)c(c2)Cc3cccnc3N -MOL_01_012764,c1cccc(c12)ncc(c2)NC(O)c3cccc(c3)-n4ccnc4 -MOL_01_012765,CC1(C)CN(C1)C(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_012766,CCCC(=O)c1cccnc1NC(=O)c2ccncc2 -MOL_01_012767,CCc1nn(C)c(c1Cl)C(=N)CCc2ccc(nc2)CC(C)(C)C -MOL_01_012768,Cc1cc(CN)cc(C)c1Cc2nc(Nc3ccc(CN)cc3)ncc2CCC(O)NC4CC4 -MOL_01_012769,c1cccc(c12)c(C)c(nc2C)C(=O)Nc3ccc(Cl)c(Cl)c3 -MOL_01_012770,CC(C)NC(N)c1cccc(c1)NC(N)Nc2ccc(cc2)-c3ccncc3 -MOL_01_012771,CC1CCC(C1)c2cc(N)nc(n23)c(N)c(c3)N -MOL_01_012772,C=C(O)c1nc(C)ccc1CC(C)C(=O)Nc2ccc(cc2)NC(=O)C -MOL_01_012773,CCCC1CC(C)C(N(C)O)=C(N1C)N(C)Cc2ccc(F)nc2 -MOL_01_012774,Cn1ccc(n1)Cc2ncnc(c23)ccc(c3)Cc4ncccc4F -MOL_01_012775,C1CCCCC1c2cc(O)nc(n2)CC(O)Cc3cccc(F)c3F -MOL_01_012776,C=CC(=O)CCCCC1C(=O)C(CCC(=O)C)N=C(c(c12)cccc2)c3ccccc3 -MOL_01_012777,CCc1ccc(cc1)C(=O)NCc2nnc(n2CC)CCC(=O)Nc3cccc(C)c3 -MOL_01_012778,Cc1ncnc(c12)n(cn2)C(O)NC(C)(C)C -MOL_01_012779,Nc(c1)ccc(c12)nc(CC3CC3)c4c2c(N)ncc4 -MOL_01_012780,Cc1ccc(c(C)c1)C(C)C(=N)c2cnn(c2C)-c3ccccc3 -MOL_01_012781,C1CCCCN1Cc2nnc(n2CC)CCC(=O)Nc3cccc(C)c3 -MOL_01_012782,C=C(C)C1CCC(N1C(=C)CN)c2ccc(CN)cc2 -MOL_01_012783,Cc1ccc(cc1)CNC(=O)CCc(n2)nc(=O)n(c23)cc(C)cc3 -MOL_01_012784,Nc1ccccc1NC(N)c2ccc(cc2)CNC(N)c(c3)ccc(n34)ncc4 -MOL_01_012785,c1ccccc1-c(cc2N)cc(c23)c(c(O)cc3O)-c4cccnc4 -MOL_01_012786,NC(O)CCC1CCC(CC1)C2=Cc(cccc3)c3Cn(c24)ccn4 -MOL_01_012787,COc1ccc(cc1OC)C2CC(=NC(N)C2)c3ccc(F)c(C(F)(F)F)c3 -MOL_01_012788,Cc1cccc(C)c1NC(=O)CN(c2ccccn2)Cc3ccccc3 -MOL_01_012789,CCc1ccc(cc1)-n2nnnc2C3CCN(CC3)Cc4ccc(cc4)NC(=O)C -MOL_01_012790,C=C1CCC(=N1)NC(=C)N(CC2CCCC2)c3ccc(CN)nc3 -MOL_01_012791,OCCCc1cc(C)ccc1OC(O)c2ccccc2OC(C)O -MOL_01_012792,Cc1ncc(c(n1)C)Cc(c(n2)C(N)N)cc(c23)cccc3 -MOL_01_012793,CC(=O)Cc1ccc(cc1)CCc2nc(C)cc(n2)-n3nc(C)cc3C -MOL_01_012794,CCCc1ccc(cc1)N2CC(NC2=O)C(=O)Nc3ccc(F)cc3F -MOL_01_012795,NCC(=C)c1ccc(cc1)C(=C)NCc2nn(C)c(c23)CCCC3 -MOL_01_012796,NC1CCCCN1CC(N)NCCN2CCN(CC2)c3ccc(F)cc3CCC(F)(F)F -MOL_01_012797,Clc1ccccc1C(C)(C)C(=O)NCC(=O)N2CCCC2 -MOL_01_012798,CCCc1cn(nn1)CC2CC(=O)N(C2)c3ccc(C(=O)C)cc3 -MOL_01_012799,c1ccccc1CC2(CN)CCCCN2C(N)c3ccccc3 -MOL_01_012800,C=C(O)c(c1)ccc(CC2=O)c1C23CC3C(=O)CCC -MOL_01_012801,CC(N)c1cc(C(F)(F)F)ccc1C(N)Cc(n2)ccc(c23)CCCC3 -MOL_01_012802,C1CCCC1N(CC)C(=O)CCC(=O)c2ccccc2CCC(=O)N3CCCC3 -MOL_01_012803,C=C(O)c1cccc(c12)ccc(n2)C(=O)C3CCCC3 -MOL_01_012804,CNc(n1)cc(N)c(c12)cc(cc2)NC(N)c3ccc(Cl)c(Cl)c3 -MOL_01_012805,Cc1ccccc1NCc(c2)ccc(c23)CCC(=O)N3 -MOL_01_012806,NOc1ccc(cc1)-n2cnc(c2)C(N)NCCN3CCN(CC3)c4ccccc4ON -MOL_01_012807,OCc(n1)ccc(c12)CCCC2C(O)Cc3ccccn3 -MOL_01_012808,Cc1cc(C)cc(c1)N(CCCN)C(=O)CCC(=O)c2ccccc2CCC(=O)N3CCCC3 -MOL_01_012809,NCc(c1)ccc(c12)cc(CN)c(n2)C3CCCCC3 -MOL_01_012810,Cc1ccc(c(C)c1C)CNc2c(CN)ncn2-c3ccc(F)cc3 -MOL_01_012811,Cc1cc(nn1C)CCc2cnc(nc2)N3CCN(CC3)CCC4(C)NC(=O)NC4=O -MOL_01_012812,CCCCc1cc(C)c(c(C)c1)N(C)C(O)C(C)N -MOL_01_012813,c1cccc(c12)C(N)c3c2cccc3C(N)CCc4ccccc4Cl -MOL_01_012814,Cc1cc(C)c(c(C)c1)-n2nnnc2CCC(=O)Nc3ccc(CN)cc3Cl -MOL_01_012815,NCc1ccccc1N2CCN(CC2)c3ccc(Cl)nn3 -MOL_01_012816,NCc1cccc(c1)-n2cc(nn2)C(O)c3ccccc3N -MOL_01_012817,CCC(C1)Cc(c12)cc(cc2N)-c3cnccn3 -MOL_01_012818,CC1CCC(CC1)c2ncncc2-c3ccccc3CN -MOL_01_012819,C1CCc(c12)cc3c(c2)nc(nc3C)CC(=O)c4ccccc4 -MOL_01_012820,CC(=O)c1nccn1CC(CC2=O)CC2(c3ccccc3)c4ccccc4 -MOL_01_012821,NCc1cc(CN)cc(c1)-c2cccc(n2)-c3ccc(CN)cc3CN -MOL_01_012822,N=C(N)CNC(C1=N)C(CCC(C)C)C(=N)c(c12)cccc2 -MOL_01_012823,C=C(C)c1nc(C)ncc1-c2nnnn2-c3ccccc3 -MOL_01_012824,Cc1ccccc1C(N)C(CC)(CC)NC(N)c2cccc(OC)c2C -MOL_01_012825,Cc1ccc(cc1)-c2cn(c(n2)C)-c3ccc(ON)cc3 -MOL_01_012826,NCc1cc(ccc1)NC(=C)CN(CC)Cc(n2)nc(C)c(c23)cccc3 -MOL_01_012827,CCc1ccc(cc1)CC(=O)CCC(=O)Cn2cnc(c23)cccc3 -MOL_01_012828,Cc1ncnc(c12)Nc3c(C2)cc(cc3)CN -MOL_01_012829,NCc1cc(C=O)c(c(CN)c1CN)-c(cc(c23)CCC3)c(c2)CC4CCC(=O)C4 -MOL_01_012830,C=C(O)c(c1N)cc(C(=C)O)c(c12)CCCC2(C)C -MOL_01_012831,c12c3c(CC1)cccc3c(cc2)C(=N)C4CCCN(C4)C(=N)c5cccnc5 -MOL_01_012832,NCCC(C1)CCC(O)c(c12)ncn2Cc3ccc(CN)cc3 -MOL_01_012833,c1ccc(Cl)c(c12)ccn2C(=N)C3CCC(C3)c4cccnc4 -MOL_01_012834,C=C(O)c1ccn(CC)c1C(O)Cc2ccc(C)c(C)c2 -MOL_01_012835,NCc1ccc(Cl)cc1NC(=O)CCC(=O)C2CC(=O)N(C2)Cc3ccccc3 -MOL_01_012836,NCc1ccc(CN)c(c1)N(Cc2ccccc2)CC(=O)NCc3ccccc3 -MOL_01_012837,O=C1N=NC(=O)c(c12)c(C)c(cc2C)C3CCC(CC3)c4ccccn4 -MOL_01_012838,Cn1nc(N)c(c1Cl)C2CCCN2CC(=O)NCCCCN -MOL_01_012839,NCc1ccc(c(c1)CN)C(O)N2CCN(CC2)c3ccccc3CN -MOL_01_012840,Cc1cccc(c1)Cc(n2)nc(N)c(c23)cccc3 -MOL_01_012841,c1ccccc1Cn2nc(C)c(c2Cl)C(=O)CCC(=O)CCC3CCCC3 -MOL_01_012842,CC(O)c(c1)ccc(c12)ncc(c2C)C(O)CC3CCCCCC3 -MOL_01_012843,c1ccccc1C(N(C)CCCN)C(C)(c2cccnc2)c3cccnc3 -MOL_01_012844,c1ccccc1COC(=N)Nc2ccn(c(n2)=N)CCCNC3CCN(CC3)Cc4ccccc4 -MOL_01_012845,CCCC1=CCC(=O)C1c2c(C)nnnc2N -MOL_01_012846,CCc1ccccc1NCc2cc(ccc2C)C(=O)NCc3ccncc3 -MOL_01_012847,CC(C)Cn1cc(cn1)-c2cccc(c2)CNc3ccccc3C(=O)O -MOL_01_012848,Fc1ccc(cc1)NC2=C(C(O)CCC)CN(C2O)c3ccc(F)cc3 -MOL_01_012849,C1CCCC1C(N)c2nn(C)c(c2F)CC(N)Cc3ccccc3 -MOL_01_012850,CCC(N)c1cnc(C)c(c1)-c2cc(N)cc(N)c2N -MOL_01_012851,CC(O)c1ccn(c1C2CC2)-c3cccc(c3)C(N)(N)N -MOL_01_012852,c1ccccc1C2(C)CC(=C(CN)C(N)N2)c3ccccc3 -MOL_01_012853,CCc1cc(ccn1)-c2cccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_012854,Cc1onc(c1)NC(=O)CCc2n(CCOC)c(nn2)Cc3ccccc3 -MOL_01_012855,C1CCc(c12)c3c(cc2)CC(=C3CCNC(C)=N)c4cccc(c4)CN -MOL_01_012856,CC(N)Cc1cccc(c1)-c2cncc(n2)Cc3ccccc3 -MOL_01_012857,Cc1cccc(Cl)c1Cc2nc(cncc3)c3n(c24)cnc4 -MOL_01_012858,Fc1ccc(cc1)C2(C(=O)CC(=O)C2)CC(C3=O)Cc(c34)cccc4 -MOL_01_012859,C=C(O)c1c(C)nc(CCCCC)nc1CC2CCCCC2 -MOL_01_012860,CN(C)CCCCc1cc(C(O)N2CCCCC2)n(n1)Cc3ccccc3 -MOL_01_012861,NCC(=C)c(cc1)cc(c12)N(C(=C)CC(N2)=C)C3CCN(CC3)C4CCCCCCC4 -MOL_01_012862,C1CCc(c12)cc3c(c2)c4c(cc3N)c5c(C4N)cccc5 -MOL_01_012863,CC(N)c1ccccc1NC(N)CCN2CCN(CC2)c3ccccn3 -MOL_01_012864,c1ccccc1Cc2cc(ccc2NCN)-n3cc(nn3)-c4ccccc4 -MOL_01_012865,NOc1cccc(c1)-c2ccc(nn2)CCC(N)N3CCN(CC3)c4ccccc4 -MOL_01_012866,CCC(N)C1=C(C)NC(C)=C(C(N)CC)C1c2ccc(cc2)N(CC)CC -MOL_01_012867,NCc1ccc(cc1)CN(c2cnc(cc2)OC)Cc3ccc(cn3)-c4ccccc4C -MOL_01_012868,NCCc(c1)c(CCN)cc(c12)ncnc2Cc3cccc(F)c3 -MOL_01_012869,c1ccccc1C(N)Nc(c2)ccc(c23)N(C(N)NC3)c4c(F)cccc4F -MOL_01_012870,C1CC(O)Nc(c12)ccc(c2)NC(O)CN3CCN(CC3)Cc4c(Cl)cccc4Cl -MOL_01_012871,C1CC1n2cnnc2CCC(=O)c3cccnc3Cc4ccccc4 -MOL_01_012872,CC(C)c(c1)ccc(c12)nc(c(c2)CN)CCC(=O)NCC3CCCC3 -MOL_01_012873,Fc1ccc(cc1)C(N)C(CC)(CC)CC(N)c2cccc(OC)c2C -MOL_01_012874,Fc1cc(ccc1)C(=O)Cc2cncc(c2)Cc3cncnc3 -MOL_01_012875,c1ccccc1CCC(=O)CC2CC(C(=O)N2)c(c3)ccc(c34)CCCC4 -MOL_01_012876,NNCc1ccc(cc1)N(C(=C)NC2)C23CCCCC3 -MOL_01_012877,CCc1cc(ccc1C)C2C=C(c3ccc(N)cc3)N=C(N2)CCCCCN -MOL_01_012878,C1CCCC(C12)C(=N)N(C2=N)C3CCC(CC3)N(C4)CCc(c45)cccc5 -MOL_01_012879,Cn1c(C)nc(c12)nc3c(c2)c(N)ccc3 -MOL_01_012880,c1ccccc1CNC(=C)CCC(=C)C(N(C2)CN)Cc(c23)cccc3 -MOL_01_012881,CCc1cc(n(C)c1)C(=N)CC(CN)c2ccc(N)cc2 -MOL_01_012882,O=C(C)C1CCN=C(C=O)CC12Cc3c(C2=O)cc(C)cc3 -MOL_01_012883,CCCc1cc(N)c(Cl)cc1C(N)NCC2CCCN(C2)Cc3cccc(c3)CN -MOL_01_012884,CCc1ccc(cc1)NC(=O)CCCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2 -MOL_01_012885,c1cc(N)cc(C2)c1C(=C(C)C(N)CC3)C23Cc4ccccc4 -MOL_01_012886,CCc1ccccc1CNC(N)CCC(N)c(c2)cc(N)c(c23)cccc3 -MOL_01_012887,CCc1cc(O)cc(c12)nc(nc2O)CCc3ccc(CN)cc3 -MOL_01_012888,OCC(C)(C)CCCCC(N)C(C1)CCc(c12)c(N)ccc2N -MOL_01_012889,CC(C)CC(CC1)C(N)c(c12)c(N)ccc2CCC -MOL_01_012890,CCCC(=O)N1N(C)C=C(N12)N=CN(C2=O)C -MOL_01_012891,c1cccc(c12)N(C)CC(C)N(C2)C(O)c3ccnc(O)c3 -MOL_01_012892,CCCC(O)c1c(CO)c(C)n(c1C)Cc2ccccc2Cl -MOL_01_012893,c1ccnc(c12)cc(O)n2CCN3CCN(CC3)c4ccccc4 -MOL_01_012894,Cc1cc(C)cc(c1)CNC(=O)c2nc(ccc2C)N3CCCCC3 -MOL_01_012895,NCc1ccccc1NC(O)c2ccc(cc2)NC(O)CCc(n3)nc(O)c(c34)cccc4 -MOL_01_012896,c1cccc(c12)c(O)nc(c2O)C(=O)Cc3ccc(Cl)c(Cl)c3 -MOL_01_012897,CCCc1ccc(cc1)-c2cn(cc2CN)-c3ccc(C(=O)C)c(C)c3 -MOL_01_012898,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)-c3ccc(cc3)CNCCN -MOL_01_012899,C=CC(=N)C(C1)C1(C(=N)OC)c2cccc(c2)OCCc(c3)ccc(c34)cccc4 -MOL_01_012900,Cc1cc(ccn1)-c2cc(C(CC34)C(C3)CC4)cnc2N -MOL_01_012901,Nc1cnc(cc1)NC(=C)C2CCN(CC2)C(=C)c3ccccc3N -MOL_01_012902,c1cccc(c12)nc(nc2C)CN(C)C(=O)CCC(=O)c3ccccc3CN -MOL_01_012903,CCN(C1N)c2ccc(c(c2c13)ccc3)/C=N/c4cccc(F)c4 -MOL_01_012904,Cc1nc(C)cc(n12)nc(n2)CCc3cc(F)ccc3F -MOL_01_012905,CC(C)CCc1cc(NC(C)O)nc(n1)CCc2ccccc2 -MOL_01_012906,NCc1ccccc1-c2c(=N)n(-c3ccccc3)cc(c2)-c4ccccc4 -MOL_01_012907,NCCCCc1ncccc1C(=O)C2CCCC2Cn3cc(N)cn3 -MOL_01_012908,Cc1ccccc1NC2=C(F)C(O)N(C2O)C3CCCCC3 -MOL_01_012909,CNc1cnc(cn1)-c2ccc(C)c(c2)CN -MOL_01_012910,CCCc1ccc(nn1)-c2cccc(c2)NC(=O)CCc3ccccc3 -MOL_01_012911,CCCCCCCCN(CCN)Cc1cccc(c12)cncc2 -MOL_01_012912,CNC(=O)C(C)C(C)(C)NC(=O)c1cc(c(Cl)cn1)CCC2CC2 -MOL_01_012913,CCc1ccccc1C2CCC(CC2)Cc3c(C)nc(C)nc3N -MOL_01_012914,CC(C)n1cc(cn1)C(=O)N2CCC(CC2)n3cnc(c3)C(C)(C)C -MOL_01_012915,NCc1c(=N)ncn(c12)CCCCC2 -MOL_01_012916,Cc(c1)ccc(c12)ncnc2Cc3cccc(c3)C(=O)CN -MOL_01_012917,Cc(c1)ccc(n12)nc(cc2=O)CCC(=O)c3ccc(Cl)nc3 -MOL_01_012918,c1nccnc1C(=O)Nc2cncc(n2)Cc3cncc(F)c3 -MOL_01_012919,CCC(N)CCc1nnc(CCc2cccc(C(F)(F)F)c2)n1-c3cccc(c3)ON -MOL_01_012920,Nc1cccc(N)c1CCCCCC(N)CCc2ccccc2 -MOL_01_012921,Fc1cc(ccc1)NC(=O)CC2CCCCc(c23)cccn3 -MOL_01_012922,NCC1CCCC1C(=O)CCC(=O)c2ccnc(c23)cncc3 -MOL_01_012923,Nc1nc(C(F)(F)F)ccc1C(=N)Nc2ccc(Cl)c(c2)-c3ccncc3 -MOL_01_012924,FC1(F)CC(C)CCC(C1)c2c(cnn2C)CC(=N)c3ccccc3 -MOL_01_012925,CCc1cccc(CC)c1CC(=O)Cc2nn(C)c(=O)c(c23)cccc3 -MOL_01_012926,FC(F)(F)c1cc(ccc1)NC(=C)c2c(C)ncn2Cc3ccc(CN)cc3 -MOL_01_012927,Clc1ccc(cc1)C2CC2N(CCC)CCC3(N)CC(C3)NC(=N)c(c4)ccc(c45)cccc5 -MOL_01_012928,CCCCc1cccc(c1)-c2nc(C)nc(C)c2N -MOL_01_012929,CC(C)CCc1c(O)c(CO)c(O)c(CO)c1O -MOL_01_012930,C1CCCN1CCN(CC2)C(=N)c(c23)ccc(c3)-c4ccc(CN)cc4 -MOL_01_012931,Cc1cc(C(=O)CN)ccc1NCc2cc(Cl)ccc2Cl -MOL_01_012932,c1cnc(n12)ccc(c2)C(=C)NCc3ccc(cn3)Cc4cnn(c4)C(C)C -MOL_01_012933,C1CC1(C)C(C(N)N)CC(N)c(c2)ccc(c23)cccc3 -MOL_01_012934,Cc1cn(c(n1)C)-c(c2)cc(C)c(c23)CC(=N)CC3 -MOL_01_012935,O=C(C)C(N1)CC(=O)c(c(F)ccc2)c2CC\N=N\CCc(ccc13)cc3 -MOL_01_012936,NCc1c(C)c(ncc1C)CN(C)C(=C)Nc2cccc(c2)CCN -MOL_01_012937,CCc1ccc(c(c1)CN)Cc2nccn2-c3ccc(C(=O)C)cc3 -MOL_01_012938,FC(F)(F)c1cc(ccc1)C2(O)CCN(CC2)Cc3nccn3Cc4ccccc4 -MOL_01_012939,Clc1ccc(cc1)C(CCCC)NC(N)C(C)(C)CN2CNNNC2 -MOL_01_012940,CCCOc1c(C)cc(CNO)cc1OCC -MOL_01_012941,CCCCNC(=O)Nc1c(C)nc(C)c(c12)cc(CN)c(c2)CN -MOL_01_012942,NCCCC(C)Nc1cc(CN)cc(c12)cccn2 -MOL_01_012943,c1ccccc1CC(C(=O)N=C)C(=O)N2CCN(CC2)Cc(c3)ccc(c34)CCC4 -MOL_01_012944,COc1cc(CN)ccc1OCCCc2c(O)nc(nc2O)Cc(c3)ccc(c34)CCC4 -MOL_01_012945,NCCC(CC1)CCC12c3c(cccc3)C(=C2)C(N)NC4CC4 -MOL_01_012946,CN1CCN(CC1)CCNC(N)c(c2N)cnc(c23)c4c(cc3)cccc4 -MOL_01_012947,CC(=O)c1cc(Cl)c(cc1CN)NC(=O)CCc2ccc(Cl)cc2 -MOL_01_012948,CCCNc(c1=O)cc(n2c13)nnnn2nnn3 -MOL_01_012949,C1CCCCN1C(N)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_012950,c1cccc(c12)c(cc(n2)O)C(O)Nc3cccc(c3)CN4CCCC4 -MOL_01_012951,CC(N)N1CCCc(c12)ccc(c2)CC(N)c3ccc(C(F)(F)F)cc3 -MOL_01_012952,CCC(=O)CCc1nc(CC(C)C)n(C)c1CCC(=O)CC -MOL_01_012953,C=C(O)c1nn(c(C)c1Cl)CC(=O)NCc2cccnc2 -MOL_01_012954,NCCCN(C(C)C)C(N=C)c1ccc(C)nc1Cc2cccc(C)c2 -MOL_01_012955,NC(N1)CCc(c12)ccc(c2)NC(N)C3CCN(CC3)c4ccccc4F -MOL_01_012956,CNc1cccc(c12)C(CCC2)CN(C)CCc3cccc(N)c3 -MOL_01_012957,CCC1CCn(c(C)cn2)c2C13CCC(CC3)C(=N)C(C)C -MOL_01_012958,CCc1cncc(n1)-c2cccc(c2)C(=O)CC3CC3 -MOL_01_012959,Cc1cnc(c(C)[n+]1[O-])CN2CCCC(C2)c3ccc(Cl)c(Cl)c3 -MOL_01_012960,CC1CCC(CC1)c2nc(N)c(C)c(n2)Cc3c(N)cccc3N -MOL_01_012961,c1cccc(c12)ncn2CC(N)CCc3ccccc3 -MOL_01_012962,CC(=N)c1ccc(cc1)CCNC(=N)c2cc(Cl)ccc2N3CCCCC3 -MOL_01_012963,Fc1ccc(cc1)C(O)CCc2n(C)c(nn2)Cn3nnc(c34)cccc4 -MOL_01_012964,c1cccc(c12)c(cn(c2=N)CC(C)C)NC(=N)NCc3ccccc3Cl -MOL_01_012965,COc1c(OC)cc(cc1OC)CCC(N)OCc2ccccc2CN -MOL_01_012966,CCCc1ccc(C(O)CCC)cc1-c2ncc(c(n2)O)C(O)CCC -MOL_01_012967,C=C1OOCN1CN(C)CN2CCN(CC2)c3cc(Cl)ccc3CN -MOL_01_012968,NCCCN(CCCC1)C12CCN(CC2)c3cnccn3 -MOL_01_012969,c1ccccc1Nc(c2N)c(c(N)c(c23)C(N)CCC3N)Nc4ccccc4 -MOL_01_012970,OCC(O)CC(=O)c1ccccc1Nc2ccnc(c23)cc(Cl)cc3 -MOL_01_012971,Fc1ccc(cc1)CC(=N)OC(C23)C(N(CC2)CC3)Cc4cccnc4 -MOL_01_012972,CC1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)CC3CC(=NC3=O)N4CCCC4 -MOL_01_012973,CCCC(=O)c1ccccc1NC(=O)Cc2ccccc2CN -MOL_01_012974,Cc(c1)ccc(c12)n(C)c3c2cc(cc3)CCc4ccc(CN)nc4CN -MOL_01_012975,C1CC1C(=O)NC2(C(Cl)(Cl)Cl)NC(=O)N(C2=O)C3CCCC3 -MOL_01_012976,Cc(n1)nc(C)c(c12)CN(CN2)CCCN3CCCCC3 -MOL_01_012977,CC1(C)CN(C1)C(N)CNC(N)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_012978,Nc1cc(ccc1)C(=O)N(CN)c2ccnc(n2)NC(N)c3ccccc3 -MOL_01_012979,Cc1ccc(cc1)-n2cnc(c2C)C(N)Nc3cc(Cl)ccc3Cl -MOL_01_012980,CCCCNc1cc(Cl)nc(n1)CC(C(N)O)c2cccc(c23)cccc3 -MOL_01_012981,CNC(NC)NC(NC)n1cnc(c12)c(C)ncn2 -MOL_01_012982,c1ccccc1C2=C(C(=N)CCC)C(C(=C(C2)N)CN)C3CCCCC3 -MOL_01_012983,Cc1ccc(nc1)C(N)Nc2cccc(c2)C3(C)CCCC(=N3)N -MOL_01_012984,c1ccccc1C(CN)Cc2nc(C(Cl)(Cl)Cl)nc(c23)cccc3 -MOL_01_012985,CC(C)(C)CNC(=O)N1CCCCC1C(=O)CCc2ccccc2 -MOL_01_012986,NCc1cccc(c1)C(=O)CC(C(F)(F)F)(C2=O)C=C(C23)CCC3 -MOL_01_012987,Cc1ccnc(n1)CC2CC(=O)N(C2=O)c3ccc(Cl)cc3 -MOL_01_012988,NCc1cc(cnc1)-c(c2)c(C)cc(c23)cc(cc3)CN -MOL_01_012989,NCc1ccc(c(F)c1)Nc2c(C(N)/N=C/CCO)cc(c(F)c2F)CCCCO -MOL_01_012990,NCc(c(Cl)c1)cc(c12)CNC(N2)Cc3ccccc3 -MOL_01_012991,OCCNC1=C(C)C(=O)N(C1=O)c2ccc(C)c(C)c2 -MOL_01_012992,C=Cc(n1)cnc(c12)nc(nc2C)NC(=C)C -MOL_01_012993,CCCC(O)C(O)Nc1cccc(c1CN)N2CCN(C)CC2 -MOL_01_012994,Cc1ccc(cc1C)CN2CCC(CC2)C(O)N3CCN(CC3)c4ccccn4 -MOL_01_012995,CCN(CC)CCNC(=O)c1ccc(cc1CN)NC(=O)Nc2cc(Cl)cc(Cl)c2 -MOL_01_012996,Clc1cc(ccc1)Cn2cnc(c2)C(=O)NCC3CCN(CC3)Cc4ccccc4 -MOL_01_012997,NCc1ccc(cc1)C2=CC=C(C2=3)C(=O)C=C(C3)C4CCCCC4 -MOL_01_012998,NCc(c1)ccc(c12)ccc(C)c2C(c3ccccn3)N4CCC(C)CC4 -MOL_01_012999,C1CCc(c12)ccc(c2)CNC(N)CCC(N)C3(CCCC3)c4cccc(F)c4 -MOL_01_013000,NCc1ccccc1C(=O)C2CCCN(C2)Cc3cc(ON)ccc3ON -MOL_01_013001,Cc(n1)ccc(c12)cc(cc2)C3(N)CCC(CC3)C(N)CCC(C)C -MOL_01_013002,CN1CCN(CC1)CCOc2cccc(c23)cc4c(c3)cc(nc4N)N5CCOCC5 -MOL_01_013003,c1cccnc1N2CCC(CC2)Cc3nccnc3C4CCCCC4 -MOL_01_013004,C=C(C)c1cn(cn1)CC(=O)Nc2nccc(n2)-c3ccccc3 -MOL_01_013005,c1ccnc(c12)c(ccc2C(=C)O)NCc3ccccn3 -MOL_01_013006,Nc(c1)ccc(c12)ccc(c2)CCCCCn3cnc(c34)cccc4 -MOL_01_013007,FC(F)(F)Cc1ccc(cc1)C(=N)NC(C)(CN)COc2cc(CN)ccc2C(F)(F)F -MOL_01_013008,Cc1ccc(cc1C)C(ONN)C(=O)Nc2cccc(c23)cccn3 -MOL_01_013009,CC(C)N1CCC(CC1)Oc(c2)ccc(c23)nc(cc3)C(N)N4CCCC4CN -MOL_01_013010,NCC(=C)c1cnc(cn1)C(=C)N(C(C)C)c2ccc(CN)c(F)c2 -MOL_01_013011,CC(=O)c1ccc(C)c(c1C)NC(=O)C23CCC(C)(C(=O)C2)C3(C)C -MOL_01_013012,Cc1c(C)c(O)cc(c12)c(C)c(cc2)CCC(O)CCCCn3ccnc3 -MOL_01_013013,C1NCc(c12)cc(cc2CN)CN(CC3)CCC34c5c(N=N4)cccc5 -MOL_01_013014,CCCC(=O)c(c1)ccc(c12)C(C)(C(N)(N)N)c3c2cccc3 -MOL_01_013015,COc1ccc(cc1)CCc(c(n2)C(N)O)nc(c23)cc(C(F)(F)F)cc3 -MOL_01_013016,NCCCC(O)Nc(c1)ccc(c12)CCN(C2)C(O)CCN -MOL_01_013017,Fc1ccc(cc1)NC(=C)Nc2ccc(c(F)c2)Cc3ccnc(c34)cc(CN)c(c4)CN -MOL_01_013018,CCCCCNC(=N)c1cccnc1CCC(=N)Nc2ccccc2CN -MOL_01_013019,OCCn1ncc(c12)CC(C2)C(=O)CC(C3)CCCc(c34)cccc4 -MOL_01_013020,CC(C)N1CCC(CC1)COc2ncc(n2C)C(N)c3ccccc3F -MOL_01_013021,CCc1cccc(c1)NC(N)c2ccc(C)c(c2)CCc(c3)cnc(n34)ccn4 -MOL_01_013022,NCCNC(=N)CC(C1)C(=N)N(C(C12C(=N)OC)=CCCCC2)CCC3=CCCCC3 -MOL_01_013023,c1ccccc1CC(C(=O)N)NCCc2ccccc2F -MOL_01_013024,CCc1c(CC)c(CC)cc(c12)nc(N)nc2O -MOL_01_013025,C1CCCCc(c12)cc(=N)n(n2)Cc3ccc(cc3)C4CC4 -MOL_01_013026,NCC1(CN)CC(C1)(CC)CNc2nc(C)nc(Cl)c2C=O -MOL_01_013027,ClCCCN(O)CC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F -MOL_01_013028,Cc1nn(C)cc1-c2ccnc(n2)C(C)Cc3ccc(F)cc3 -MOL_01_013029,CC(=O)CCn1ccc(c12)cc(cc2)CCCCNc3ccccn3 -MOL_01_013030,Cc(n1)cc(C)n(c12)ccc2C(=O)Nc3ccc(C(F)(F)F)cc3 -MOL_01_013031,CCC(=N)N(C12)N(C(C1)CC2)c3cccc(N)c3N -MOL_01_013032,c1cnccc1CNC(=N)C2CCCN2C(=N)C3CCCN3C(=N)c4cccc(c45)cccc5 -MOL_01_013033,c1nccc(c12)CC(C)(C)N=C2C3CCCC3=O -MOL_01_013034,CCc1ccc(cc1Cl)NC(=O)C(=C(C)C(=O)C2)C23CCN(C(C)C)CC3 -MOL_01_013035,NCc(n1)ccc(c12)ccc(c2O)C(c3ccccc3)Cc4ccccc4 -MOL_01_013036,Cc(n1)nc(O)c(c12)cc(cc2)CC(CCN)c3ccc(cc3)C(O)CCC(O)O -MOL_01_013037,Cc1ccc(cc1)NC2CCN(CC2)CCN(C3N)CCCc(c34)cccc4 -MOL_01_013038,CCCc1ccc(cc1)CCC(N)Cn2ncc(c23)c(N)cc4c3cc(C)cc4 -MOL_01_013039,Fc1cc(F)c(cc1C)Cc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_013040,COc1cc(ccc1O)CCC(=O)CCc(n2C)nc(c23)cc(C)cc3 -MOL_01_013041,NOC(=N)c1cccc(c1)-c2ccc(c(c23)cccc3)CNC(=N)C4CC4c5ccccc5 -MOL_01_013042,Cc1ccc(cc1)CCC(N)c(c(N)c2N)cc(c23)C(C)(C)C(C)CC3 -MOL_01_013043,Cc1ccc(cc1)CC(CN)c(c(n2)CC(C)C)nc(c23)cccc3 -MOL_01_013044,CC(=O)Cc1c(Cl)cc(cc1CN)CC(=O)NCc2ccc(C(C)(C)C)cc2 -MOL_01_013045,CCCC(=O)Nc1cc(c(N)c(n1)N)NC(C)C(C)c2ccccc2 -MOL_01_013046,NOc1ccccc1OC2CCN(CC2)C(=O)c3cccc(O)c3N -MOL_01_013047,n1cccnc1CN(CCC2)C(N)c(c23)cc(cc3)-c4ccc(Cl)cc4 -MOL_01_013048,CN(C)CCn1c(O)cc(c12)cc(cc2)NCc(c3)ccc(c34)cccc4 -MOL_01_013049,c1ccccc1N2CCN(CC2)CC(N)COc3ccccc3C(N)CCc4ccccc4 -MOL_01_013050,c1ccccc1C(=O)CCC(=O)C(C(C)C)NC(=O)CCc2ccccc2 -MOL_01_013051,CCCc1ccccc1C(=O)N2CCN=C2CCc3cccnc3 -MOL_01_013052,CC(C)(C)Cc(c1)cc(O)c(c12)C(O)CC(C2)c3ccc(O)cc3 -MOL_01_013053,c1ccncc1C(N)Oc2cccc(c2)Cc3ncnc(c34)cccc4 -MOL_01_013054,C=C(C)c1cnc(N)n1CCCc2cc(N)ccc2C(C)CCCn3c(C(=C)C)cnc3N -MOL_01_013055,NOc1ccc(ON)cc1CN(C(=O)NC)c2ccccc2Oc3ccccc3 -MOL_01_013056,NC1C=CC(N)c(c12)n(cc2)Cc3ccccc3 -MOL_01_013057,CC(C)CC(=O)N(CC1)CCC12CC(C2)CCCCc3ccc(nc3)C(=O)NC4CC4 -MOL_01_013058,Cc1cc(C)c(C(=O)CN)c(c1Cl)CCC(=O)Nc2ncccc2Cl -MOL_01_013059,CC(C)CC(C(=O)C)NC(=O)c1ccc(cc1)Cc(c(n2)C)nc(c23)cc(Cl)cc3 -MOL_01_013060,c1cccc(c12)nc3n(c2=O)c4c(c(=O)nc3C)cc5c(c4)cccc5 -MOL_01_013061,CC(=O)c1ccc(cc1)CCc2nc(C)cc(n2)-c3ccccc3 -MOL_01_013062,Clc1ccccc1C(=O)NCC(O)CCn(c2=O)nnc(c23)cccc3 -MOL_01_013063,NCC1(CC1)NC(=C)C(NC2=C)Cc(cc3C)ccc3CC\C=C\CCc(c24)ccc(c4)CN -MOL_01_013064,Cc1cnnc(n1)N2CCC(CC2)Cc3cc(C(F)(F)F)ccc3F -MOL_01_013065,CNC(=O)c1ccc(cc1C)CC(C)C(=O)N2CCN(CC2C)C(=O)c3ccccc3 -MOL_01_013066,COCCCNC(=N)CC(C1)C(=N)N(C(C12C(=N)OC)=CCCCC2)CCC3=CCCCC3 -MOL_01_013067,C1CCCN1CCCNC(O)CCN(C(O)CC2)c(c23)cccc3 -MOL_01_013068,CC(=O)C1CCCC1C(=O)c2ccc(C3CC3)c(n2)CCC4CC4 -MOL_01_013069,CCc1cccc(c1)CC(=O)CC2CC(C(=O)N2)c(c3)ccc(c34)CCCC4 -MOL_01_013070,C1CC1C(=N)c2ccc(cc2)OCCCN(CC34)C(C3)CN4C(=N)c5ccccc5 -MOL_01_013071,CN1CCN(CC1)c2cccc(c23)C=NC4C(=N3)CN=C4 -MOL_01_013072,CCC1=CC(O)c2c(C)cc(CC)c(c2c13)c(O)cc3 -MOL_01_013073,c1ccccc1C(c2ccccc2)(C(N)N3CCCC3)C(C)CN4CCOCC4 -MOL_01_013074,NCc1cc(ccc1)NC(=N)Nc2cccn(c2=N)Cc3ccccc3Cl -MOL_01_013075,C=C(O)c1cnc(C)n1CCN2CCN(CC2)c3ccccc3F -MOL_01_013076,Cc1cccc(c1)N2C(=N)CC(C2=N)N3CCN(CC3)Cc4ccc(Cl)cc4 -MOL_01_013077,C1CNCCC1c2cc(CCC)c(N)n2Cc3ccccc3 -MOL_01_013078,NCC(=O)c1cccc(c1)CCC(=O)C2=NCC(N23)CC3=O -MOL_01_013079,c1ccccc1CN(C(=N)C2(C)C)C(=N)N2CCCCCN3CCN(CC3)c4ccccc4 -MOL_01_013080,CCc1ccc(cc1)-n2cnc(c2C)C(N)Cc3cccc(F)c3 -MOL_01_013081,Cc1ccc(cc1)CN2C=CNC(=O)C2CC(=O)NC(C3(C)C)CCN(C3)CC(C)C -MOL_01_013082,NCn1cccc(c12)nc(c2)-c3ccc(N)cc3 -MOL_01_013083,Cc1ccccc1NC(=N)CCCCCNC(=N)c(c2)ccc(c23)ccn3C -MOL_01_013084,Cn1cccc1C(N2CCCC2)CCC(=O)c3cc(CN)cc(c3)CN -MOL_01_013085,C1CCCCC1N(C)C(=O)CCCCc(c2)ccc(c23)NC(=O)NC3 -MOL_01_013086,CCC(C=1)=Nc(c12)ccc3c2=CC(=N3)CC(=O)c4ccc(CN)c(c4)CN -MOL_01_013087,Nc1cc(F)ccc1NC(O)c(c2)ccc(c23)NC(C3)O -MOL_01_013088,CCN(CC)CC(N)COc1ccccc1C(N)CCc2ccc(F)cc2 -MOL_01_013089,CC=1C(C)=CC(C12)=NC(=NC2=O)c3ccc(CN)cc3 -MOL_01_013090,Nc1nnc(N)n1-c2ccc(cc2)Cc3c(cccc4)c4nc(c35)cccc5 -MOL_01_013091,Fc1ccc(cc1)C(=N)N2CCN(C(=N)C2)c3ccc(cc3)OC4CCN(CC4)C5CCCC5 -MOL_01_013092,CCCC(=O)c1cccnc1NC(=O)c2ccccc2 -MOL_01_013093,Cc1ccc(cc1C)CN(CC2)CC2(N)C(=O)NCCN -MOL_01_013094,Cc1nccc(n1)-c2cccc(c2)CCC(=O)C3CCCCC3 -MOL_01_013095,C1CCCC1(C(F)(F)F)CC(O)N2CC(C)N(CC2)c3ncc(cn3)CCc4ccncc4CN -MOL_01_013096,Nc1cc(ccn1)-c2ccc(cc2)CNC(N)c3cccc(F)c3Cl -MOL_01_013097,C=C(O)c1cnc(C)n1C(C)C(O)Cc2cccc(C)c2 -MOL_01_013098,C=C(O)c1c(C(=O)C)nc(n12)cccc2C -MOL_01_013099,C=C(O)c1ncn(c12)c(O)c(cc2)CCCl -MOL_01_013100,NOC(=C)NCOC1OOc2c(CN)ccc(c2c13)ccc3CN -MOL_01_013101,NCc1ccc(cc1)NC(O)Cc2n(C)c(cc2)Nc3ccc(Cl)c(Cl)c3 -MOL_01_013102,c1cncn1-c2ccc(cc2CN)CC(=O)N3CCN(CC3)CCc(c4)ccc(c45)C(=O)CC5 -MOL_01_013103,Cc1ccc(cc1C)C(=O)NCCNCC(C)CCc2ccccc2 -MOL_01_013104,Cc1ccc(cc1)Cc2ccc(cc2)-c3cc(cc(n3)C(=N)N)NCc4ncccn4 -MOL_01_013105,NCc1c(Cl)cc(cc1)NC(=N)Cc2ccc(CN)c(c2)CN3CCCCC3 -MOL_01_013106,CCc1ccc(Cl)cc1C(Cc2ccc(Cl)cc2)C(N)CCCn3cncn3 -MOL_01_013107,CCCC(N)c1cccc(c1)NC(N)c(n2)cc(n23)cccc3 -MOL_01_013108,Cc(n1)nc(C)c(c12)c(ccc2)CCc3cc(CN)ccc3CN -MOL_01_013109,Oc1cccc(c12)Cc3c(C2O)c(O)c(cc3)CCCC(O)O -MOL_01_013110,Cc(n1)cn(c12)c(cc(n2)C)Cc3ccc(C(C)N)cc3 -MOL_01_013111,Clc1ccccc1CC2CC(C(=C)NC3(CN)CC3)N(C2)C(=C)C4(CC4)N5CCCC5 -MOL_01_013112,NCC(=N)Cc1ccc(cc1)CCC(O)CN2CCN(CC2)c3ccccc3CN -MOL_01_013113,NCc(c1)c(CN)cc(c12)ccnc2C(C)c3ccc(CN)c(c3)CN -MOL_01_013114,CCCCn1c(C)cc(c1C)C(=O)CC(C(=O)C2)C(=O)C23CCCCCC3 -MOL_01_013115,c1cccc(c12)CCCC2CC(N)COc3ncnc(c34)cccc4 -MOL_01_013116,C1CCCCC12Cc3c(cc(CN)cc3)C(C2(C)C)Cc4ccc(O)nn4 -MOL_01_013117,Nc1ccnc(n1)N2C(=O)NCC2C34CC5CC(C3)CC(C5)C4 -MOL_01_013118,Cc1ccc(cc1)/C=N/C(c2c(OC)c(OC)ccc2)CC(N)NCCN3CCOCC3 -MOL_01_013119,FC(F)(F)c1cnc(nc1NC)Nc2cn(C3(CN)CC3)cc2C -MOL_01_013120,C=C(C)c1cc(cc(c1)C(=C)C)NC(=C)c(c2)ccc(c23)c(=C)n(c3=C)CCCN -MOL_01_013121,Cc1ccc(C)c(c1)CC(=O)Cn2ccn(c(=O)c2=O)-c3ccc(F)cc3 -MOL_01_013122,C1CCCCCN1C(=O)CN2C(=O)CC(C2=O)CCc3ccccc3 -MOL_01_013123,Cc(n1)cc(C)c(c12)c(C)nc(n2)CCC(O)Nc3ccccc3 -MOL_01_013124,Cc(c1)cc(C)c(c12)CCCC2NC(N)CCCc3ccncc3 -MOL_01_013125,Cn1ncc(Cl)c1C(N)C2CCC(CC2)c3ccccc3CCN -MOL_01_013126,Oc1cccc(c1)Cc(n2)nc(c(c23)cccc3)CCC4CCCO4 -MOL_01_013127,c1cccc(c12)c(nn(c2=O)C)C(=O)CCC(=O)c3ccccc3 -MOL_01_013128,Nc1c(N)c(N)nc(n12)nc(c2)CCc3ccccc3 -MOL_01_013129,Cc1c(O)nc(c(C)c1O)C2CC2c3nnnnn3 -MOL_01_013130,NCc1cc(F)ccc1-c2cncc(c2)CNC(=O)c3cnccn3 -MOL_01_013131,Nc1ccccc1CCC(N)CCCC2=NCCCC2 -MOL_01_013132,Nc1c(Cl)cc(cc1Cl)CNC(C(=O)N2CCC(C)CC2)CCn3nccc3Cl -MOL_01_013133,CC(C)Cc1ncnc(c1C(N)CCC)Cc2ccc(Cl)cc2 -MOL_01_013134,NCc1ccc(Cl)cc1C(O)C2CCCN(C2)CCO -MOL_01_013135,Cc1cc(ccc1)NC(=C)Nc2ccc(cc2)Cc3ccnc(c34)cc(CN)c(c4)CN -MOL_01_013136,CCCCc(n1)nc(c(c12)n(C)cn2)CCc3ccccc3 -MOL_01_013137,c1cccnc1CC(C(=N)NC2(CN)CC2)NC(=N)c3ccc(cc3)-c4ccccc4 -MOL_01_013138,FC1(F)CCN(C1)C(=O)C(C)C2CCC(CC2)NC(=O)CCc3ccccc3 -MOL_01_013139,CCCCC(CCC)Cc1nc(C)nc(c12)ccc(c2)CN -MOL_01_013140,Cc1nccn1C2CCCC(C2)C(=O)Cc(n3)cn(c34)cccc4 -MOL_01_013141,Nc1nccc(c12)cc(c(Cl)c2)NC(N)C(NC3CC3)c4ccccc4 -MOL_01_013142,c1ccccc1-c(c(c2N)CC(C)C)cc(c23)c(ccc3)CC(C)N -MOL_01_013143,NCCCCc1nc(ncc1Cl)Cc2ccc(cc2CN)C(=O)C3CCCCC3 -MOL_01_013144,CCC(N)C(=O)Nc1cc(ccc1CC)NCc2c(F)c(F)c(F)c(F)c2F -MOL_01_013145,C1CCCc(c12)ccc(c2)C(C)NC(=O)C3CCCNC3 -MOL_01_013146,C1CCCCC1c2ccc(n2CC)CCC(N)Nc3cc(CN)ccc3CN -MOL_01_013147,CCc1cc(ccc1O)-c2cnc(C)c(c2)-c3ccc(C(C)N)cc3 -MOL_01_013148,NCc1cnccc1CCc2cnc(nc2)N3CCN(CC3)C(O)CC(C4(F)F)CC4(F)F -MOL_01_013149,CC1CCC(CC1)NC(=O)CN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_013150,c1ccccc1C2=C(N(C)C(=C)c(c23)cccc3)CNCc4ccccc4CN -MOL_01_013151,C=C(C)c1ccccc1Cn2cnc(C)c(c23)ncn3 -MOL_01_013152,CCc1ccc(cc1)CCc2c(O)nc(O)nc2C(C)O -MOL_01_013153,Cn1cccc1C(=O)CCC(=O)Nc(c2)ccc(c23)CNC3 -MOL_01_013154,CC(=O)CC1(CCC1)CC(=O)c2cc(CC(C)C(F)(F)F)c(cn2)C3CC3 -MOL_01_013155,Cc1ccc(cc1)CCC2(Cn3ccnc3)OCC(O2)NCc4ccccc4N -MOL_01_013156,C=C(O)c1cc(C)c(C)cc1NC(=O)CNCC(N(C)C)c2ccccc2 -MOL_01_013157,N1=NN(C)C(=C)N(C)c(c12)ccc(c2)C(=C)NCCN3CCCCC3 -MOL_01_013158,Nc(n1)c(N)cc(c12)cc3c(c2)CCCC3 -MOL_01_013159,C=C1C(N)=C(C(C)C)C(C)=NN1CCCN2CCN(CC2)c3cccc(Cl)c3 -MOL_01_013160,C1CCCc(c12)ccc(c2)NC(O)CN(C3O)Cc(c34)cccc4 -MOL_01_013161,Nc(c1)c(C)cc(c12)CC(N)CC2(C(N)(N)N)CCC3CC3 -MOL_01_013162,C1CC1CN(CC2)C(N)c(c23)ccc(c3)NNc4ccccc4 -MOL_01_013163,C=C(O)c1ccccc1CC(=O)N2CCCC2C(=O)Cc3ccccc3 -MOL_01_013164,C=C(O)c1cccc(c1C)C(O)Cc2ncc(cc2O)CCc3nc(C)cc(n3)C -MOL_01_013165,CC(C)c1ccc(cc1)CC(N)c(c2N)cnc(c23)cccc3 -MOL_01_013166,Nc1ccc(c(N)c1)CC(N)CC2CCc(c23)nccc3 -MOL_01_013167,CC(=O)Cc1cccc(c12)c(=O)n(C)c3c(c2=O)cccc3 -MOL_01_013168,COc1ccc(cc1)C(N)N(C2CCCCC2)Cc3cn(cn3)-c4ccccc4 -MOL_01_013169,Cn1cc(cc1)-c2cnc(C)c(c2)C(N)Nc3ccncc3 -MOL_01_013170,CC(N=1)=NC(=O)C(C12)=NC(=C2)Nc3cccc(c3)CN -MOL_01_013171,c1ccncc1C(=O)Nc2cc(C(=O)CC)c(cc2)C3CCCCC3 -MOL_01_013172,CC(=O)C(N=1)=CC(C12)=CC(=C2)c3cccc(N)c3 -MOL_01_013173,CCNC(O)Nc1cc(Nc2ccccc2)c(cn1)C(O)NCc3cccnc3 -MOL_01_013174,CCCNC(=C)CC(CC1)CCC1(c2ccccc2)CNC3=NCc(c34)cccc4CN -MOL_01_013175,OCC(O)COc(c1)ccc(c12)CCc3c(C2N)ccc(c3)Cc4ccc(F)cc4F -MOL_01_013176,Cc1cn(C)c(N)c1NC(=O)CCc2ccccc2 -MOL_01_013177,CCCC1(CCC)C(=O)CCC1NC(=O)CCc2ccccc2 -MOL_01_013178,Cc1ccc(c(C)c1C)NC(=O)CNC(=O)CNC(C)c2ccccc2ON -MOL_01_013179,C=NC(=C)CCc1nnc(n1Cc2ccccc2)CNC(=C)c3ccc(CC)cc3 -MOL_01_013180,Cc1cc(cc(n1)N)-c2ccc(cc2)CNC(N)c3c(Cl)cccc3Cl -MOL_01_013181,Cc(c1)ccc(c12)nc(C)c(c2)CN(Cc3cccnc3)Cc4nccn4CC5CCCC5 -MOL_01_013182,CCCC(C)(C)CC(C)(C)CC(C1N)C(N)c2cccc(c2c13)ccc3 -MOL_01_013183,Cc1ccc(cc1)C2C(C)C(=N)N2c3ccc(CN)cc3 -MOL_01_013184,Cc1cccc(c1)CC(Nc2ccccc2)C(=N)NC(CN)COCc3cccc(O)c3 -MOL_01_013185,CC(=N)c1cccc(c1)-c2ccc(F)c(n2)CCC(CO)C(C)C -MOL_01_013186,Cc1ccc(cc1C)NC(=O)c2ncn(c2N)Cc3ccccc3 -MOL_01_013187,C1CCCCN1c2nc(NCC)nc(n2)Cc3ccc(=O)n(n3)-c4ccccc4 -MOL_01_013188,C1CCCCN1c2nc(N(C)C)nc(n2)Cc3ccc(=O)n(n3)-c4ccccc4 -MOL_01_013189,c1cnc(n12)nc(N)c(CN)c2Nc3ccccc3N -MOL_01_013190,Cc1ccc(cc1)C(=O)Cc2cccc(c23)C(=O)C(C3)C4CCC(=O)CC4=O -MOL_01_013191,C=C(C)c1c(N)nn(c1N)CC(=O)CC(N)c2ccc(N)cc2 -MOL_01_013192,c1ccccc1C(NC(C)=N)C2CN(C2)C3CCN(CC3)C(=N)c4c(C)cccc4C -MOL_01_013193,Cc1nnnnc1C2CCCC(C2=3)=NN(C)N(N3)C -MOL_01_013194,Cn1nc(CC(F)(F)F)c(Cl)c1C(=N)NCc2ccc(C(N)(N)N)cc2 -MOL_01_013195,CC(=O)C(C)(C)Cc1nc(Cl)cc(n1)Nc2cccc(C)c2C -MOL_01_013196,FCC(C)C1CCC(CC1)OC(N)C(O)(c2ccccc2)c3ccccc3 -MOL_01_013197,Cc1cc(ncn1)-n2ncc(c23)ccc(c3)NNC(N)(N)O -MOL_01_013198,NC(N)CCCCc(c1Cl)cc(O)c(c12)cc(cc2)NC(O)C(N)Cc3ccccc3 -MOL_01_013199,c1ccccc1C(C)NCc2ccc(F)c(c2)C(=O)Nc3ccc(F)c(F)c3 -MOL_01_013200,c1cccc(c12)C(N)C(=C(O)C2N)Cc3ccc(cc3)OCCOc4cccc(c45)cccc5 -MOL_01_013201,c1ccnc(c12)CCCC2CC(=N)Cc3c(N)cc(Cl)cc3Cl -MOL_01_013202,CCn1nc(C)cc1C(=O)CCC2CC(=O)N(C2)Cc3ccccc3 -MOL_01_013203,Clc1cc(ccc1)C(C)Cc2cncc(n2)N3CCNCC3 -MOL_01_013204,Cc1cccc(c1)CCc2nnc(CC3CCCC3)n2-c4cccnc4 -MOL_01_013205,c1ccccc1C(C(C)C)C(=N)Nc2ccc(cc2)C(=N)Nc3ccccc3N -MOL_01_013206,C=C(C)c1cccnc1CCc2ncc(cn2)-c3ccc(cc3Cl)CCCCN -MOL_01_013207,CC1CCc2cc(N)c(N)c(c2C13)Cc4c(C3)cccc4 -MOL_01_013208,CCCCCCC(C(N)O)Oc(c1)ccc(c12)c(N)c(cc2)-c3ccc(O)cc3 -MOL_01_013209,CNC(N)Cc1ncccc1-c2ccc(c(F)c2)-c3cnc(C)nc3 -MOL_01_013210,c1cccc(c12)C(N)C(N)C(=C2C)CCCC3CCCCC3 -MOL_01_013211,Nc(n1)cc(N)n(c12)nc(n2)Cc3ccccc3 -MOL_01_013212,C=C1C(N)CCCN1c2ccc(cc2C)-c3ccccc3CN -MOL_01_013213,c1ccccc1CC(C)CC(=O)C(C)NC(=O)c2ccccc2 -MOL_01_013214,c1ccccc1-c2nc(C)n(c2)-c3cccc(N)c3 -MOL_01_013215,Cc(c1)ccc(c12)cc(CN)c(n2)CCC(O)NCC3CCCC3 -MOL_01_013216,NCCc1ccc(cc1CCN)NC(=C)CN(C)C(=C)C2CC(=C)N(C2)c3cccc(c3)CC -MOL_01_013217,NCC(C)(C)C(C)CCc1c(C=CC(=O)C2)c=2cc(c1=3)C=CC3 -MOL_01_013218,Nc(n1)cc(N)n(c12)cc(CC)c2Cc3ccc(CN)cc3 -MOL_01_013219,Clc1cc(ccc1)CN2C=C(C(C)=N)C(C=C2)CC(C3=N)Cc(c34)cc(F)cc4 -MOL_01_013220,C1CCCCN1CCNc(c(C2O)c3C(O)c(c24)cccc4)ccc3NCCNCCC -MOL_01_013221,CCc(c1)ccc(c12)c(N)c(C(N)CC)c(c2)-c3ccc(C)cc3 -MOL_01_013222,Cc1ccccc1NC2=NCC(=O)N2c3cc(N)ccc3N -MOL_01_013223,C1CCCN1Cc2ccc(C)c(c2)NC(=O)CCc3nnc(n3C)CCC(=O)N -MOL_01_013224,NCCn1cc(c(n1)N)CN2CCCC(C2)CNC(=O)c3ccc(F)cc3 -MOL_01_013225,Cc1nccc(n1)N(C)c2ccc(CN)c(C)c2 -MOL_01_013226,c1ccccc1C(c2ccccc2)CC(=N)N3CCN(CC3)CC4CCNCC4 -MOL_01_013227,c1ccccc1C(=O)CCC2(C(=O)NC(=O)N2)CCC(=O)c3ccccc3 -MOL_01_013228,Cc1ccc(cc1)NC(O)Cn2nnc(c2N)C(O)Nc3ccc(C)c(C)c3 -MOL_01_013229,CCC1CC(C(=N1)N)n2ccc(C)nc2=O -MOL_01_013230,Cc1cccc(c1)NC(=O)C(NC2)=C(O)c(c23)cccc3 -MOL_01_013231,C=C(O)c1cc(C(=O)C)ccc1NCC(N(C)C)c2ccccc2 -MOL_01_013232,Cc1cc(nc(n1)C)CCc(c(c2)CN)nc(c23)CCCCC3 -MOL_01_013233,CCc(c1)ccc(c12)nc(c(c2)CN)CCC(=O)NCC3CCCC3 -MOL_01_013234,n1ccn(c12)c(cc(n2)C)NC(O)c3ccccc3 -MOL_01_013235,CCCc1cc(O)nc(n12)nnc2CCCC(C)C -MOL_01_013236,NCc1ccc(cc1)C(C)c2nc(N)ccc2CCN -MOL_01_013237,Cc1cc(C)cc(c1)C(O)Nc2cncc(n2)Cc3cncc(F)c3 -MOL_01_013238,Clc1ccc(cc1)C2(C)CC(=O)C(C2=O)CC(=O)c(c3)ccc(c34)CCC4 -MOL_01_013239,CCc1cc(N)c(Cl)cc1NC(=O)C2CCN(CC2)CC3CCCCC3 -MOL_01_013240,CCOC(=N)C1C(=N)C=C(c2ccc(C)cc2)CC1c3ccccc3 -MOL_01_013241,O=C1C=CN=c(c12)ccc=3c2N=CN3 -MOL_01_013242,CC(=O)CCC1CC(=O)N(C1)c2cc(F)c(c(F)c2F)N3CCCCNC3 -MOL_01_013243,NCc1ccccc1Cc(n2)nc(c(c23)cccc3)CCCCO -MOL_01_013244,NCc1cccc(c1)C(=O)Nc2cncc(n2)Cc3cncc(F)c3 -MOL_01_013245,C=C(C)c1cn(C)nc1C(=O)Cc2ccc(cc2)C(=O)C3CCCCC3 -MOL_01_013246,C=C(O)c1cc(C)c(cc1CC)NC(=O)CN(C)Cc2cccc(F)c2 -MOL_01_013247,c1cnccc1N(C2)CC(C23)CN(C3)C(=O)C4CC(C4)Cc5cccnc5Cl -MOL_01_013248,CCCC(=O)c(c1C)cnc(n12)c(cc2)C(=O)CCC -MOL_01_013249,CN(C)CCNC(=N)c(c1)ccc(c12)c(C(=N)O)c3n2cccc3 -MOL_01_013250,Cc(n1)cn(c12)c(C)c(c(n2)C)CCC(=O)NCCc3ccccc3 -MOL_01_013251,Cc1ccc(cc1)CNC(=O)CCc2nc(N)c(c(n2)O)NC(=O)c3ccc(Cl)cc3 -MOL_01_013252,C=C(C)C(C1O)=C(C)C(O)c(c12)cc(cc2)CC -MOL_01_013253,CCOOOOCn1nc(ccc1=O)-c2ccc(CN)c(c2)CN -MOL_01_013254,CCc1ccc(F)cc1CN(C)C(=O)CN2C(=O)CCC2C -MOL_01_013255,CCCC(C(=O)CN)CC(=O)c(c1Cl)cnc(c12)cccc2 -MOL_01_013256,FC(F)(F)c1cnc(nc1CC)Cc(n2)cc(n23)CCCC3 -MOL_01_013257,Cc1ccccc1C2(CC2)CNC(=O)NC(C)c3cccn3C -MOL_01_013258,Cc1cc(N)nc(c12)ccc(c2)NC(=N)Nc3ccc(C(N)N)cc3 -MOL_01_013259,NCCC(C)(C(=O)C)Cc1ccc(cc1)CC(=O)Nc2cc(C)cc(C)c2 -MOL_01_013260,CC(=O)c(c1)ccc(c12)ncc(c2C)C(=O)C -MOL_01_013261,c1cccc(c12)nc(n2C)CCC(=O)c(c3)ccc(c34)CCC(=O)C4 -MOL_01_013262,OC(O)c1nc(ccn1)-c2cc(C)c(cc2)OC3COC3 -MOL_01_013263,CCCNC(O)CCc1ccc(cc1O)CN2CCN(CC2)c3ccccc3 -MOL_01_013264,C=C(C)c1ccccc1Cc2nc(ncc2C(=C)C)Cc3cc(CN)c(CN)c(c3)CN -MOL_01_013265,CC(C)CC(C(=O)C)CC(=O)c1cc(CCC(F)(F)F)c(cn1)C2CC2 -MOL_01_013266,C=C(O)c1nc(C)n(C)c1C(O)CCc2ccccc2 -MOL_01_013267,Clc(c1)ccc(c12)cc(O)n2CCCN3CCN(CC3)c4ncccn4 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-MOL_01_013335,NCc1ccc(cc1)Cn2cnc(c2N)C(=O)Nc3cccc(N)c3 -MOL_01_013336,Cc1nc(C(C)C)nc(c1C)C(O)CCc2ccc(F)cc2 -MOL_01_013337,c1cccc(CNC2=N)c1CC23CCCN(C3)Cc4ccccc4CN -MOL_01_013338,c1cccc(c12)cc(O)n2CC(O)NCC(C3)CCc(c34)cccc4 -MOL_01_013339,CC(=N)Cc1ccc(C)c(c1)Cc2nccc(n2)-c3cccnc3 -MOL_01_013340,NCNc1cc(cc(N)c1N)OC23CC4CC(C2)CC(C4)C3 -MOL_01_013341,CC1CCC(CC1)Cc2ncnc(c23)ccc(c3)CN -MOL_01_013342,CCCC(CCC)Cc1nc(C)nc(c12)ccc(c2)CN -MOL_01_013343,C=C1CC(C)(C)CC(=C12)CC(N)=C(CN)C2c3ccc(C)cc3 -MOL_01_013344,Cc1cccc(c1)C2C(CN)=C(N)Cc(c23)cc(cc3)N(C)C -MOL_01_013345,CNc(c1)c(CC)cc(c12)cc(cc2)C(CN)C3CCC(NC)CC3 -MOL_01_013346,C1CC1n2c(C)c(cc2C)C(N)CCC(N)CCc3ccc(CN)cc3 -MOL_01_013347,c1ccccc1CNC(O)c2ccc(nn2)N3CCN(CC3)Cc4ccccc4F -MOL_01_013348,c1ccccc1C2N=C(N)CC(=N2)n3cc(N)c(n3)N -MOL_01_013349,C1CC1CCc2cc(ccc2CC)C3(CN)CCN(CC3)CC(C)N -MOL_01_013350,c1nccnc1C(=O)Cc2cccc(c23)cccn3 -MOL_01_013351,Cc1ccc(cc1)C(N)N2CCN(CC2)c3cc(N)cc(c34)ccc(c4)C -MOL_01_013352,c1cc(N)cc(c12)CCN(C(=C)c(cc3C)ccc3)C2NCc4ccc(CN)cc4 -MOL_01_013353,NCc(c1)c(CN)cc(c12)CCCC2(C)CCN3CCN(CC3)c4ccccc4 -MOL_01_013354,CCc1cc(C(=O)C)ccc1CCC(C)Cn2nc(C)c(C(=O)C)c2C -MOL_01_013355,Cn1cc(c(n1)N)C(=N)Nc2ccccc2-c3ccccc3 -MOL_01_013356,NC(O)CCCc(n1C)nc(c12)cc(cc2)C(CCCl)CCCl -MOL_01_013357,Cc(n1)nc(C)c(c12)nc(cc2)CCC(O)CCc3ccccc3 -MOL_01_013358,c1ccccc1C23C(=N)C(CN(C2)C(=N)CC)(CN(C3)C(=N)CC)c4ccccc4 -MOL_01_013359,CCCC(=O)C1(C)CCCN1C(=O)c2cc(N)ccc2C -MOL_01_013360,Cc(n1)cc(C)n(c12)cc(n2)C(O)N3CCCCC3 -MOL_01_013361,CC(C)Cc1ccc(cc1)-c2cc(C)c(nc2)C(O)CCC(C)O -MOL_01_013362,CCCCCc(cc1C(N)N)cc(c12)CC(C)(C)C3C2N=C(C)CC3 -MOL_01_013363,C1CC1C(=O)N2CCC(CC2)C(=O)Cc3ccc(c(F)c3)-n4ccnc4 -MOL_01_013364,c1cccnc1CC(=N)N(CC23)CC(CC2)N(C3=N)Cc4ccccc4 -MOL_01_013365,NC1C(=C)C(N)Cc(c12)cc(cc2)Cc3ccc(cc3)-c4ccncc4 -MOL_01_013366,c1ccccc1-n2cnc(c2)CN3CCCCC3Cn4cncn4 -MOL_01_013367,CNC(=O)C1(C)CCCN1C(=O)OC -MOL_01_013368,c1ccccc1C(N)c(cc2)cc(c23)cc(N)n3C(N)NCCCCc4ccccc4 -MOL_01_013369,Cc(n1)nc(C)c(c12)c(cc(c2)C)CCc3cc(F)cc(c3)CN -MOL_01_013370,Cc1ccc(cc1)CNC(O)Nc(c2)ccc(c23)CCC(O)N3C -MOL_01_013371,Cn1cnc(c12)ccc(c2)C(n3cncn3)c4ccc(Cl)cc4 -MOL_01_013372,CC(C)c1ccc(cc1)-c2ccc(c(c2)C(=N)N)NC3CCN(CC3)C(=N)CN -MOL_01_013373,Cc1cc(CN)cc(c1)Oc2ccc(CN)c(c23)C(O)C(C3)(C)C -MOL_01_013374,NCc1ccc(cc1CN)NC(=C)C2=CC(=NCN2C)c3ccc(C)cc3 -MOL_01_013375,c1cccc(c12)ccc(c2)CC(C)(C)NCC(N)C3CCCN3Cc4cccc(c4)CN -MOL_01_013376,CCCCc(n1)nc(N)c(c12)cccc2 -MOL_01_013377,C1CCCCCN1c2nc(N)c(N)c(n2)Cc3c(F)cccc3F -MOL_01_013378,CCCC(=O)Cn1nc(cc1C)NC(=O)c(c2)ccc(c23)CCC3 -MOL_01_013379,CCCc1cc(ccn1)CNC(=O)c2cnn(CC)c2C(C)(C)C -MOL_01_013380,Cc1ccccc1-c2nccn2Cc3cccn3CCCN -MOL_01_013381,CC(C)CC(O)N1CCC(CC1)CCc2ccc(nc2)N3CCN(CC3)C(O)N(C)C -MOL_01_013382,CC(=O)NCc1ccc(c(Cl)c1)CCC(C)CNC(C)(C)C -MOL_01_013383,Cc1ccc(Cl)cc1NCc(c2O)c(C)nc(n23)ccc3 -MOL_01_013384,CC(=O)C(C)CC(=O)c(c1C)nc(Cl)c(c12)cccc2 -MOL_01_013385,CCCCc1ccc(cc1CN)Cn2c(N)cc(c23)ccc(c3)C -MOL_01_013386,NCC(=C)c1ccccc1CN2CCC(CC2)C(=C)NCc3ccccn3 -MOL_01_013387,Cc(n1)ccc(c12)cccc2CC(N)c3ccc(CN)cc3N -MOL_01_013388,NC1CN(CCC1)Cc2cn(C)c(c2)C(O)NCc3ccccc3Cl -MOL_01_013389,C=C(O)c1cnc(C)n1CCCc2c(Cl)cc(Cl)cc2C(C)O -MOL_01_013390,NCc1c(CN)cc(cc1CN)C(C)c2cncn2Cc(c3)ccc(c34)CCC4 -MOL_01_013391,CC1=CC=C(C1=2)C(=O)N=C(N2)N(C)Cc3ccccc3CN -MOL_01_013392,c1cccc(c12)C(=N)N(C2=N)CCCCN(C34)C(CC3)CC(C4)c5cccc(O)c5 -MOL_01_013393,CNC(=N)c1cccc(c1)Nc2cc(ccn2)N3CC(C3)Cc4ccc(F)cc4 -MOL_01_013394,Cn1nc(cc1)CC(=O)c2cc(OC(C)CO)cc(c2)Oc3ccc(cc3)C(=O)C4CCC4 -MOL_01_013395,CCNc(n1)nc(NCC)n(c12)c(nn2)CCC(=O)Nc3ccc(C)c(C)c3 -MOL_01_013396,Cc1cc(CN)cc(C)c1Cc2cc(ncc2C(=O)N)Nc3ccc(CN)cc3 -MOL_01_013397,CC(=O)CCCCc1cc(ccc1CN)CCc(c2)ccc(c23)nc(C)nc3C -MOL_01_013398,CCc1ccc(C(=O)C)cc1NC(=O)CC(=O)c2ccc(cc2)-c3ccccc3 -MOL_01_013399,CC(C1)Cc(c12)cc(CN)c(c2)CNCc3cccnc3-n4cccn4 -MOL_01_013400,CC(C)(C)c(c1)ccc(c12)C(CC2)C(N)c3ccc(N)nn3 -MOL_01_013401,FC(F)(F)c1cnc(nc1CC)Cc2cnn(c23)CCCC3 -MOL_01_013402,CC(=O)NC1(C(C)(C)C)NC(=O)N(C1=O)CC(C)C -MOL_01_013403,Cc1cc(O)ccc1C2CCN(CC2)C3CCN(C3=N)Cc4ccccc4 -MOL_01_013404,CCN(CC)CCNC(=O)c1cc(Cl)c(C)cc1CCc2ccccn2 -MOL_01_013405,C=NC(=O)CCCCCCN(C)C(=O)c1ccc(cc1)C(C)(CC)c2ccccn2 -MOL_01_013406,n1cccc(c12)cccc2C(=N)Cc3ccccc3C(N)(N)N -MOL_01_013407,COc1cc(C(C)C)c(cc1CN)Oc2cnc(nc2C)CC(N)CC(C)(C)C -MOL_01_013408,Clc1ccc(cc1)CCNC(=N)CCNC(=N)C2CCN(CC2)Cc3ccc(Cl)cc3 -MOL_01_013409,C=C(C)c1cccc(c1)C2C(CN)=C(C)CC(C)=C2C(=O)CCC -MOL_01_013410,C1CCNCC1(C)C(=O)NCc2cccnc2Cc3ccc(F)cc3F -MOL_01_013411,Cc1ccc(cc1)CN2CCCN2C(O)CC(N)Cc3cc(F)c(F)cc3F -MOL_01_013412,CN1CCCC1CCc2cncc(c2)-c3ccc(N)cc3N -MOL_01_013413,c1ccccc1C2N(C(C)Nc(c23)ccc(c3)C)CCNC(=O)CN(C)C -MOL_01_013414,CCCCc1ccc(CN2CCN(C)CC2)cc1-c3nc(C)cc(n3)N -MOL_01_013415,c1cccc(c12)CCCC2N(C)C(=N)c3cccc(c3)C(N)(N)N -MOL_01_013416,Cc1ccccc1-c2ccc(c(C)c2)-c3cnc(N)cn3 -MOL_01_013417,Nc1cc(ccc1)N(CCC(=O)C)C(=O)c2ccnc(n2)N -MOL_01_013418,C=C(O)c1c(N)nc(NCCCN)nc1NC2CCCCC2 -MOL_01_013419,NCc1ccc(c(C)c1CN)C(CC)C(CC(=O)C2CC2)c(c3CN)ccc(c34)CC(C)(C)C=C4 -MOL_01_013420,c1ccccc1C2(C(=N)O)C(C)CN(CC2)C(CC3)CCC3(CN)c4ccc(F)cc4 -MOL_01_013421,CCC(CC)CCC(C1N)C(N)c2cccc(c2c13)ccc3 -MOL_01_013422,CCc1nc(c2n(c13)ccn3)ccc(c2)N -MOL_01_013423,C1CCC=C1c2c(cccc2C)C(N)NC(C3)(C(N)N)Cc(c34)cccc4 -MOL_01_013424,Cc1ccc(cc1C)NC(C2N)=CC(N)c(c23)cnnc3 -MOL_01_013425,Cc(c1)c(C)cc(c12)cc(C(C)O)nc2C(O)c3ccc(N)cc3 -MOL_01_013426,Clc1cc(Cl)ccc1C(=C)C(=C)c2cn(cn2)Cc3cc(CN)cc(c3)CN -MOL_01_013427,Cc1nc(N)cc(n1)-c2cccc(c2)C(N)(N)N -MOL_01_013428,CCc1cccc(c12)cc([n+]([O-])c2)C(=O)Cc3ccc(F)c(F)c3 -MOL_01_013429,NCC(C1)CCCN1Cc(c(c23)ccc(c2)CN)cc4c3cc5c(c4)CCC5 -MOL_01_013430,C1CCCC1NC(=O)CCc2n(CC)c(nn2)CC(=O)Nc3ccccc3F -MOL_01_013431,Cc1ccc(cc1)N(C(=O)CCC(=O)C)C(C)(CC)C(=O)CC2CCCC2 -MOL_01_013432,C1CCC1CNC(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_013433,Clc(c1)ccc(c12)CC(=O)CC2(C(N)(N)N)CCC3CC3 -MOL_01_013434,NCc1ccc(cc1)Cc(c2)ccc(c23)nc(cc3)C(=O)CC4NCCC4=O -MOL_01_013435,Clc1cc(ccc1)COc2cc(C)cc(c2)N(C3N)C(N)c(c34)cccc4 -MOL_01_013436,Cc1cccc(c1)NC(=N)C2CCC(CC2)CNC(=N)C(NC3)Cc(c34)cccc4 -MOL_01_013437,c1cnccc1-c2nnc(C)n2CCc3ccc(CN)c(c3)CN -MOL_01_013438,Cc1ccc(cc1)CC(=O)CN(C)C(=O)c2ccc(cc2)CC(=O)CC3CC(=NC3=O)N4CCCC4 -MOL_01_013439,NC(=O)c1cc(F)c(F)cc1CCc2ccc(F)c(c2)C(=O)N3CCNCC3 -MOL_01_013440,Cc1ccccc1C(O)c2cn(cn2)-c3cccc(c3)C(O)CN -MOL_01_013441,C1CCCCC1CC(=O)c(n2)nnc(c23)ccc(c3)N4CCCCC4 -MOL_01_013442,c1cccc(c12)nc(C(C)C)c(n2)NCc3cc(CN)c(CN)c(c3)CN -MOL_01_013443,CC(C)CC1C(=O)N(CN1C)COC(=O)C(C)c2ccc(cc2)Oc3ccccc3 -MOL_01_013444,c1cccc(c12)C(C)(C(N)(N)N)c3c2ccc(c3)-c4cccc(Cl)c4 -MOL_01_013445,Cc1ccc(c(C)c1)OCCCCCCCC(O)(C(=O)O)CC(=O)O -MOL_01_013446,CC(=O)NCC1CC(=O)N(C1)c2cc(F)c(c(F)c2F)N3C=CC(=O)CC3 -MOL_01_013447,FC(F)(F)c1cnc(cc1)N(CN)CC(=O)Cc2ccc(cc2)CC(=O)N -MOL_01_013448,Clc(c1)ccc(c12)c(cc(c2)N)NC3CCN(CC3)CCCc4ccccc4 -MOL_01_013449,Cc1ccccc1CCC(N)NCC2(CCCCC2)N3CCCCC3 -MOL_01_013450,C1CC1CCc(c2)ccc(c23)CN(CC3C)Cc4ccc(cc4)C(C)NC(=O)CCN -MOL_01_013451,Clc1ccc(Cl)cc1NC(=O)CNC(=O)C(C2)CCc(c23)cccc3 -MOL_01_013452,CCc1ncc(c(n1)CC)-c2cccc(c2)CNc3ccccc3CN -MOL_01_013453,C=C(C)c1cn(c(n1)CN)CC(C)c2ccc(Cl)cc2Cl -MOL_01_013454,C=NC(N)c(c1)ccc(c12)nc(N)c(n2)CCCc3ccccc3 -MOL_01_013455,CC(O)c1cc(CN)c(nc1C)Cc2cccc(C(F)(F)F)c2 -MOL_01_013456,NOc1ccccc1N2CCN(CC2)CC(O)C(O3)=NOc(c34)cccc4 -MOL_01_013457,Fc1ccccc1C2(O)CCN(CC2)Cc3nccn3Cc4ccc(F)cc4 -MOL_01_013458,c1ccccc1N(C)C(=O)C(C)CC(=O)Cn2cc(C(F)(F)F)ccc2=O -MOL_01_013459,CC(=N)c1cccc(c1)NC(=N)Nc2cccn(c2=N)Cc3ccccc3Cl -MOL_01_013460,NC1=NOOC1CC(=C)Cc2ccc(Cl)c(c2C)CC(F)(F)CC(C)C -MOL_01_013461,NCc1ccc(Cl)cc1NC(N)CCC(N)c(c2)ccc(c23)CCCC3 -MOL_01_013462,Cc1ccc(N)c(c1)CC(=O)CC2(C)CCCC2 -MOL_01_013463,C=C(C)c1cc(ccc1Cl)CCc2c(C)nc(C)nc2N -MOL_01_013464,NCCC(=O)N(C1)CCCc(c12)c(CN)cc(c2)-c3cccc(c3)CN -MOL_01_013465,CNC(C)c1ccc(CN)c(c1)Nc2ncnc(n2)N3CC(C3)Cc4ccc(Cl)cc4 -MOL_01_013466,c1ccccc1C(C)(CC)c2ccc(N)cc2N -MOL_01_013467,COc1ccc(cc1)C(N)Cc2ccccc2CC(N)c3ccc(cc3)-c4ccncc4 -MOL_01_013468,c1ccccc1CNC(=N)COC(=N)c2ccccc2C(=N)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_013469,CC(C)CC(=O)Cc(c1)c(C)nc(c12)nccn2 -MOL_01_013470,C1CCCCC1CCC(C2N)C(N)c3cccc(c3c24)ccc4 -MOL_01_013471,ClCCn(cn1)c(=O)n(c12)cnc2C(=O)/C=C/Cc3ccccc3 -MOL_01_013472,CN1CCC(CC1)Nc2cc(ccc2CN)Cn3ccc(c34)cc(Cl)cc4 -MOL_01_013473,Fc(c1)ccc(c12)nc(n2C)CCCc3nccnc3CN -MOL_01_013474,CCCC(=O)c1ccc(cc1)CCCCCc2nc(C)nc(C)c2CO -MOL_01_013475,C=C(O)c1ccc(cc1)C(=O)Cc2cc(Cl)ccc2N3CCN(C)CC3 -MOL_01_013476,CC(O)c1cccc(c12)c(O)n(c2)-c3ccccc3 -MOL_01_013477,Cc1cncc(c1)C(=N)Nc2ccc(Cl)c(c2)CN3CCC(CC3)C(=N)NC4CCCC4 -MOL_01_013478,O=C1CC(C(=O)N1)Cc2ccc(cc2)OCCn3c(cccc4)c4c(c35)cccc5 -MOL_01_013479,Cc1cccc(n1)N(C)C(O)c2nc(C)cnc2N -MOL_01_013480,Cc1ccc(cc1F)NC(=O)Cn2nnc(n2)-c(c3)ccc(c34)CCC4 -MOL_01_013481,C1CCCC1N(C2=O)C(=O)N=C(C2=3)N=CN3 -MOL_01_013482,CCN(CC)C(=N)c(c1)ccc(c12)n(CC)c(=N)c3c2cccc3 -MOL_01_013483,Cc1c(C(C)N)ncn1Cc2cc(Cl)c(c(Cl)c2)C(N)c3ccc(Cl)c(Cl)c3 -MOL_01_013484,NCCCc(nc1C)cc(c12)c(CN)c(nc2C)C3CCCC3 -MOL_01_013485,NOc1ccc(cc1)NNc(c2=O)c(O)oc(c23)cccc3 -MOL_01_013486,NCc1cccnc1N2CCN(CC2)C(N)c3ccc(Cl)cc3 -MOL_01_013487,C=C(C)c(c1)ccc(c12)ncnc2Cc3ccc(CN)cc3 -MOL_01_013488,Cc1ncc(c(n1)C)Cc2cc(C3=NCCN3)c(CN)cc2C(C)C -MOL_01_013489,Cc1ccc(cc1)OCC(N)Nc2ccc(cc2)-c(c3N)ccc(c34)cc(O)cc4 -MOL_01_013490,NCc1ccc(cc1)CCC(=C)N(C(C)(C)C(=C)N2)c(c23)cccc3 -MOL_01_013491,CCC(N)c(c(n1)C)cc(c12)c(C)cc(n2)C -MOL_01_013492,Cc1ccn(c(=O)n1)C2CN(N)N(C)N2C -MOL_01_013493,NCc1ccc(cc1)Nc2ncc(C(=C)O)c(n2)Cc3c(C)cc(CN)cc3C -MOL_01_013494,NC(N)(N)C(C1)C(C(C)O)=Cc(c12)cc(F)c(c2)CC(C)C(C)C -MOL_01_013495,c1ccnc(c12)cc(nc2N)Cc3ccc(cc3)OCc4ccccc4 -MOL_01_013496,Cc1ccccc1CN2CCN(CC2)C3CC(N)N(C3)Cc4cn(nn4)Cc5ccc(Cl)cc5 -MOL_01_013497,Nc1cc(N)nn1C(CC(=C)O)c2ccc(Cl)cc2 -MOL_01_013498,Nc1cccc(c1)-c2nccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_013499,Cc(n1)nc(C)c(c12)c3c(cc2)n(c(c3)N)C(N)N -MOL_01_013500,CNC(N)C(C)(C)NC(N)c1ccc(C2CCCC2)c(n1)CCC3CC3 -MOL_01_013501,Nc(c1)cnc(c12)n(cc2)-c3ccccc3N -MOL_01_013502,C=C(C)c1ccc(cc1)Cc(n2)nc(C)c(c23)cc(CN)c(c3)CN -MOL_01_013503,NOc1ccc(cc1)-c2c(CN)c(N)c(CN)c(CN)c2-c3ccccc3 -MOL_01_013504,n1cccc(c12)ccc(c2C)C(=O)CCCN -MOL_01_013505,CCCCNC(=N)c(c1)ccc(c12)OCC(O2)COc3ccc(C)c(C(=N)N)c3C -MOL_01_013506,c1c(Cl)ccc(c12)CC(=O)C(CC(=O)C(Cl)(Cl)Cl)N=C2c3ccccc3 -MOL_01_013507,CCCCc1nc(Cl)c(n1C)C(=O)CC(C(=O)C)CCCC -MOL_01_013508,Nc1cccc(c1N)CCc2ncnn2-c3cccc(Cl)c3Cl -MOL_01_013509,NC1(N)N(N)NNN(N1)C2NC(c(c23)ccc(c3)C)c4ccccc4 -MOL_01_013510,O=[N+]([O-])c1ccccc1CCc2ccc(cn2)C(O)Nc3ccc(F)cn3 -MOL_01_013511,CC1CCC(CC1)C(C2N)C(N)c3cccc(c3c24)ccc4 -MOL_01_013512,Clc1ccc(cc1)C(C(C)C)C(=O)NC2=NC(=O)CC2 -MOL_01_013513,Cc1cc(ccc1)C(NC)C(C)(C)C(=N)NCc2ccccc2 -MOL_01_013514,c1ccccc1C(=O)N2CCNCC2CCc3cccnc3 -MOL_01_013515,COc1ccc(cc1OC)C(O)C(c2ccccn2)c3ccccc3 -MOL_01_013516,CCc(c1)c(CC)cc(c12)ncnc2Cc3ccc(C(=O)C)cc3 -MOL_01_013517,CCCC(N)N1CCC(CC1)Nc2ncc(c(n2)N)C(N)c3ccccc3CC -MOL_01_013518,c1ccccc1C(=N)N(CC)c2ccnc(n2)NC(C)c3ccccc3 -MOL_01_013519,Cc1cccc(n1)C(=N)N2CCC(CC2)C(=N)c3cc(F)ccc3F -MOL_01_013520,Clc(c1)ccc(c12)CC(N)CC2(C(N)(N)N)CCc3ccccc3 -MOL_01_013521,Cc1ccc(cc1C)C2CC(ON2)C(=O)NCc3ccccn3 -MOL_01_013522,Fc1ccc(cc1)CCCc2nc(CN)nc(n2)-c3ccc(Cl)c(c3)CNC(=O)CNN -MOL_01_013523,CC(=O)Nc1cc(ccn1)-c2ccc(c(c2)CN)CCC(N)CC(C)C -MOL_01_013524,NNCNCC(C(=C)C)NC(=C)C(NC)Cc1ccccc1 -MOL_01_013525,NOc1ccc(cc1)C2CC(=O)N=C(C2)c(c3)ccc(c34)OCCO4 -MOL_01_013526,CNc1ccccc1CCCCc2cccc(c2)C(N)(N)N -MOL_01_013527,NCc1ccc(cc1)C(=O)CC(C(F)(F)F)(C2=O)C=C(C23)CCC3 -MOL_01_013528,OCCOCc1ccccc1CC(=O)CC2CCN(C2)Cc(c3)ccc(c34)cc(F)cc4 -MOL_01_013529,Nc1cccc(n1)C2CCC(CC2)Oc3nccnc3C4CNONC4 -MOL_01_013530,Cc(n1)cc(CN)c(c12)cc(cc2)NC(=O)Nc(c3)ccc(c34)nc(C)cc4CN -MOL_01_013531,c1cccc(c12)nc(C)c(n2)CCC(=O)NC(=O)Nc3ccccc3 -MOL_01_013532,CCC(=O)c([n+]([O-])c1)cc(c12)cccc2CC -MOL_01_013533,FC(F)(F)c(c1)cc(n12)c(ccc2CN)CNc3c(Cl)cncc3Cl -MOL_01_013534,NCc1c(CN)cc(cc1CN)C(=C)NCCc(n2C)nc(c23)cccc3 -MOL_01_013535,CC1(C)CC(CC(N1)(C)C)NC(C)c2cc(n(C)c2)NC(C)C(C)C -MOL_01_013536,Cc1ccc(cc1)CCc2cccc(c23)n4c(nc3)ncn4 -MOL_01_013537,CCc1cc(C(N)N(C)C)c(cc1CC)NC(N)c2cc(Cl)ccc2F -MOL_01_013538,NC(=O)CN1CCCC(C1)c2nccnc2Cc3cccc(F)c3 -MOL_01_013539,Cc1c(C)ccc(c12)C(=N)N(C2=N)C3CCC(=N)NC3=N -MOL_01_013540,NCc1ccc(Cl)c(c1)-c2ccc(cc2)NC(N)CC3CCCCC3 -MOL_01_013541,CCc1cccc(c1)CCC(O)Cn2ncc(c23)c(O)cc4c3cccc4 -MOL_01_013542,C=C(C)c1c(N)nn(c1N)CC(=O)N(C)Cc2ccc(F)cc2 -MOL_01_013543,Cc(c1)ccc(c12)C(O)N(C2O)c3ccccc3C(C)C -MOL_01_013544,CC1CCC(CC1)C(N)c(c2N)ccc(c23)cccc3 -MOL_01_013545,NC1(N)N(C)C(N)N(C1)c2ccc(cn2)NNc3cccc(F)c3 -MOL_01_013546,NCNC(=O)c1cc(Cl)c(cc1F)CC(C2CC34Cl)C(C3)CC(C2)C4 -MOL_01_013547,C1COCCN1C(=O)C(C)Cc2cc(C(=O)C)nc(n2)-c3ccc(cc3)Oc4ccc(F)cc4 -MOL_01_013548,Cc1cccc(C)c1CNc(c2)ccc(c23)c(cc(c3)C(N)N)-c4ccc(C(C)(C)N)cc4 -MOL_01_013549,CCCC(=O)c1cnc(C)nc1-c2ccccc2 -MOL_01_013550,CC1CN(CCN1)c2ccc(=O)n(n2)CCCc3ccccc3Cl -MOL_01_013551,Cc1ccc(cn1)Cc2cc(C)nc(c2)C(=O)Nc3ccc(F)cn3 -MOL_01_013552,Nc1ncc(cn1)-c2ccc(cc2F)-c3cccnc3CC4CCCCC4 -MOL_01_013553,C=C(O)c1cn(c(N)c1CN)Cc2cccc(Cl)c2Cl -MOL_01_013554,COc1cccc(c1OC)C(=N)NC(C)c2ccc(cc2)-c3ccccc3 -MOL_01_013555,C=C(C)c1cc(CN)ccc1NC(=C)c2ccc(cc2)CN3CCCCC3 -MOL_01_013556,Cn1cc(c(n1)N)CN2CCCCCC2c3ccc(N)cc3 -MOL_01_013557,CCC(CC)c(c1)ccc(c12)nc(O)cc2C(N)(N)N -MOL_01_013558,Cc1ccc(cc1)CC(N)Cn2ccnc2-c3ccccc3C -MOL_01_013559,Cc1ccc(cc1)NOc2ncccc2C(=O)NC3CCCCCC3 -MOL_01_013560,C1CC1c2cc(C(Cl)(Cl)Cl)ccc2C(=N)NC3COCCC3NC4CCCCC4 -MOL_01_013561,CCc1cccc(c1CC)C(N)NCC(C2)Cc(c23)cccc3-c4ncccn4 -MOL_01_013562,CCCc1cc(C(=O)NCN)cc(c1CN)-c2ccccc2 -MOL_01_013563,NC1=CC(N)=NC(N12)CC(=N2)c3ccccc3 -MOL_01_013564,CCCCc1ncn(c12)CCC(C2)C(=N)Cc3ccc(CC)cc3 -MOL_01_013565,c1cccc(n12)ncc(c2=N)NC(=N)NCCC(c3ccccc3)c4ccccc4 -MOL_01_013566,NC(=O)c1cccc(c1)-c(c2)ccc(c23)CC(C3)NCC(N)N -MOL_01_013567,OC(N1)CCc(c12)ccc(c2)CNCc3ccc(Cl)cc3 -MOL_01_013568,CCC(=O)CCC1CC(=O)C(C1)c2ccc(c(F)c2)-c(c3)ccc(c34)CCC(=O)C4 -MOL_01_013569,Oc1c(N)c(N)c(nc1N)Nc2cccc(c23)cncc3 -MOL_01_013570,Cn1ccc(c12)cc(cc2)CC(=N)Cc3ccncc3 -MOL_01_013571,C1CCCCC1(C)c2cc(ccc2N)-c(c3)ccc(c34)cc(cc4)C(=N)N -MOL_01_013572,CCc1cc(cc(c1)C(=O)C)CCn2cnc(c23)C(C)CN=CC3 -MOL_01_013573,n1cccc(c12)C(O)N(C2O)CNc3ccc(Cl)cc3 -MOL_01_013574,O=C(C)c(n1)cc(C)c(c12)c(CN)ccc2 -MOL_01_013575,FC(F)(F)c1cc(ccc1)C(=O)CCC(=O)CC2CN(C2)C3CCC(CC3)c4ccc(O)cn4 -MOL_01_013576,NC(N)NCc1cccc(c1)CCc(c2)ccc(c23)C(O)N(CC3)CC(O)O -MOL_01_013577,Cc1nc(C)nc(n1)-c2cccnc2Cc3cnc(CN)c(Cl)c3 -MOL_01_013578,CCCCCc1ccc(cc1)C(C2=N)C(=N)c(c23)cccn3 -MOL_01_013579,Cc1cccc(c1C)CC(=N)CN(C)C(=N)c(n2)ccc(c23)cccc3 -MOL_01_013580,NOc1ccc(cc1ON)C(N)C2CCCN(C2)C(C3)Cc(c34)cccc4 -MOL_01_013581,c1cccc(c12)c(ccc2CN)-c3cccc(c3)-c4cc(N)cc(c4)C5CCOCC5 -MOL_01_013582,C=C(N)c(c1)ccc(c12)n(cc2)C(O)c3cc(Cl)cc(Cl)c3 -MOL_01_013583,C=C(N)c1ccc(cc1)CC2=C(C(=N)c(c23)cccc3)c4ccccc4 -MOL_01_013584,C1CCCCC1NC(=N)c2nnc(cc2C(N)N)NC3CCCC3 -MOL_01_013585,COC(=N)c1ccccc1C(=N)N(Cc2cccnc2)CC3CCCN(C3)C4CCCCC4 -MOL_01_013586,Cc1nc(N)cc(n1)-c2cc(N)cc(c2)CN -MOL_01_013587,NCc(c1)c(CN)cc(c12)nccc2Cc3ccc(N)cc3Cl -MOL_01_013588,c1ccncc1CNCc2c(Cl)cc(C)c(c2)CCC(O)NC3CCCCC3 -MOL_01_013589,CCCCC(=O)c1cc(C2NN2)c(cc1F)CCC(NC3(F)F)NNN3 -MOL_01_013590,C1CCCCN1c2nc(C)c(c(n2)N)CCC(N)N -MOL_01_013591,c1cnc(n12)CCC(C2)CC(=O)c3ccc(nc3)CC4CC4 -MOL_01_013592,CCc1ncc(cn1)-c2ccnn2C3CCC(C(C)N)CC3 -MOL_01_013593,c1ccnc(c12)CC(=NC2=O)CCc3ccccc3 -MOL_01_013594,NCc1ccc(cc1CN)CCNC(=C)CCCc(c2)ccc(c23)CCC(N3)=C -MOL_01_013595,C=C(O)c1ccc(nc1)Cc2ccc(cc2)CC(N)O -MOL_01_013596,NCc1ccccc1-c(c2)cc(CN)c(c23)CCCN(C3)C(N)C4CCC4 -MOL_01_013597,NCc1cc(ccc1)CCC(=O)C2(C)CCN2C(=O)Cc3ccccc3Cl -MOL_01_013598,NC(N)c1cc(ccc1Cl)-c2cccc(c2)-c(c3)ccc(c34)C(N)N(C4)C5CCCC5 -MOL_01_013599,c1cccc(c12)C(N)C(N)C(=C2N)CCCCCCCC3CCCCC3 -MOL_01_013600,c1ccccc1C(N)(c2ccccn2)CCCN3CCCCC3 -MOL_01_013601,CN1CCC(CC1)C(N)c2cccc(c2F)NC(N)c3ccc(F)cc3 -MOL_01_013602,CC(=N)c1ccc(cc1)Nc2cc(C)c(CN)c(n2)NC(C)(C)C -MOL_01_013603,Cc1c(C)c(C(=O)O)c(c(C)c1CN)Nc2ccccc2N -MOL_01_013604,NCc1cc(Cl)c(NCN)cc1C(=C)NCC2CCCN2CC -MOL_01_013605,CCN(C1N)c2ccc(c(c2c13)ccc3)/C=N/c4ccc(cc4)NC(C)N -MOL_01_013606,c1ccccc1CC2NC(=N)C(=C(C2)O)C(=N)Nc3ccc(cc3)Nc4ccccc4 -MOL_01_013607,c1cccc(c12)CN(Cc(cn3)cn3C)CC(C2)c4ccccc4CN -MOL_01_013608,CC(=O)c1ccc(cc1)NC(=O)CCn2nc(C)c(c2C)CN3CCC(C)CC3 -MOL_01_013609,NCN(CN)c1nc(nc(N)c1C)-c2ccccn2 -MOL_01_013610,C=C(O)c1ccc(cc1)C(CCN)Cc(c2)ccc(c23)nc(C)nc3O -MOL_01_013611,Oc1cccc(c1)-c2cccc(n2)C(O)c3cccc(O)c3 -MOL_01_013612,NCc1c(Cl)cc(cc1)NC(=C)C2CCC(=C)N2Cc3ccc(C)cc3 -MOL_01_013613,Cc(n1)ccc(c12)ccc(c2C)C(=O)NCc3ccccc3 -MOL_01_013614,NCCCN(C1)CCCn(c12)cnc2CCC3CCCC3 -MOL_01_013615,c1ccccc1C(C2CC2)CC(=N)CC(C3)CCc(c34)cncn4 -MOL_01_013616,Cc1ccc(cc1)CC(C2O)=CC(O)c(c23)cccc3CN -MOL_01_013617,NCc1cc(ccc1)CN(C)C(=C)N2CC(N)C(C2)c3ccc(C)cc3C -MOL_01_013618,NCc1cccc(c1)C(N)Cc2cncc(c2)Oc3cncnc3 -MOL_01_013619,c1ccccc1Cn2nc(N)c(c2Cl)C(N)NCCc3ccc(Cl)cc3 -MOL_01_013620,CC(C)C(C1N)CCc(c12)nc(cc2)CCc3cccnc3 -MOL_01_013621,CCc1c(CC)cc(cc1CC)C(=O)N2CCN(CC2)C(CN)c3cccnc3 -MOL_01_013622,C=C1CC(C(=C)N1)c2c(N)cccc2CN -MOL_01_013623,Cc1cc(CN)cc(C)c1Cc2nc(Nc3ccc(CN)cc3)ncc2CCC(N)O -MOL_01_013624,CC(C)CNC(=N)Nc1cc(ccc1C)C(=N)N(CC2)CCC2(F)c3ccc(CN)cc3 -MOL_01_013625,NCC1CCN(CC1)CN2CC(N)C(C2)c3ccccc3 -MOL_01_013626,C12CC=C(C(C1)C2(C)C)CCc3cc(C)c(cc3Cl)C(=O)NCN -MOL_01_013627,Cc1ccccc1COc2cc(OC(C)C)cc(c2)C(=N)Nc3ccc(cn3)C(=N)O -MOL_01_013628,Cc1ccc(cc1)CNc2c(CO)c(O)nc(n23)nnc3 -MOL_01_013629,CCc1ccc(cc1CC)CC(=O)Cn(c2=O)cnc(c23)cccc3 -MOL_01_013630,CCc1ccc(c(c1)CC)NC(N)CCC(N)c2ccncc2 -MOL_01_013631,C=C(C)NC(C(C)C)C(=C)Nc1cc(ccc1CN)NCc2c(F)c(F)c(F)c(F)c2F -MOL_01_013632,Clc1cc(cc(Cl)c1)C(=N)NCC2(CN)CCN(CC2)Cc3ccccc3C(F)(F)F -MOL_01_013633,CCCC(=O)C1=C(C)C(CCCC(=O)C)C(=O)CC1c2cccc(c2)CC -MOL_01_013634,NC(N)c1cncc(c1)CCc2cccc(c2)NC(N)c3ccc(cc3)-c4cccnc4 -MOL_01_013635,Cc1cccc(c1)C(C)(C)CCC(=N)CN(C)c2cnccn2 -MOL_01_013636,CCc1ccc(cc1Cl)NC(C)C2CCCN(C2)Cc3c(C)nc(C)nc3C -MOL_01_013637,Cc1cc(F)ccc1C2=C(CCC2O)c(c3)ccc(c34)CCC(C4)O -MOL_01_013638,Cc1ccccc1Cn2c(O)cc(c2C)C(O)NCCCN -MOL_01_013639,Nc1cc(ccc1)Nc2nc(N)c(C(=C)O)c(n2)NCc3ccccc3 -MOL_01_013640,Clc1cc(Cl)ccc1C(C)(Cn2cnnc2)C(N)c3ccc(Cl)cc3Cl -MOL_01_013641,CCOc1ccc(Cl)cc1-c2cc(C)nc(c2)Cc3ccc(CO)cc3 -MOL_01_013642,CC(=O)CCc1nc(Cl)cc(n1)C(C)c2cccc(C)c2C -MOL_01_013643,C1CC1CCNC(=C)c2ccc(nn2)N3CCN(CC3)C(=C)C4CCCCC4C -MOL_01_013644,C1OCCOC1CC(C)Cc2cn(C)nc2-c3ccc(cc3)Oc4ccccc4 -MOL_01_013645,CC(=O)c1ccc(cc1)C(C)CC(C2)CCc(c23)nc(C)nc3C -MOL_01_013646,C=C(O)c1ccccc1Cc2nc(C(Cl)(Cl)Cl)nc(c23)cccc3 -MOL_01_013647,Cc1ccc(C)c(c1)CCC(N)Nc2ccccc2C(N)N3CCCCC3 -MOL_01_013648,CCC(N)c1ccc(Cl)c(c1)CC(N)CC2CCCC2 -MOL_01_013649,NCC(=C)C1=C(C)NC(=C)CC1c2ccc(cc2)C(=C)CN -MOL_01_013650,C1CCC1(C)NC(N)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_013651,c1cccc(c12)CCCN2CC(=N)NC(=N)NCc3ccccc3 -MOL_01_013652,C1CCCCN1C(N)CCNC(N)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)F)cn4 -MOL_01_013653,CNC(O)CCc1nc(CC(C)C)n(C)c1CCC(O)NC -MOL_01_013654,COc1cccc(c1)CNCc2cc(ccc2OC)CN(C3N)C(N)c(c34)cccn4 -MOL_01_013655,Clc1ccc(cc1)-c2cc(C)c(nc2)C(O)NCC(O)CN -MOL_01_013656,Nc1ccc(N)c(c12)c3c(n2C)cccc3 -MOL_01_013657,Cc1ccc(cc1C)NC(=O)Cc2nnc(n2C)CCC(=O)NC3CCCC3 -MOL_01_013658,Cc1cccn(c12)c(=O)cc(n2)CCc3ccc(cc3)NC(=O)C(C)C -MOL_01_013659,CCCCCC(O)Nc1ccccc1C(O)CN -MOL_01_013660,Cc1ncnc(c12)CCC(CC2)C(N)c3cccnc3 -MOL_01_013661,Cc1cc(Cl)cc(C)c1CCCC(C2N)C(N)c(c23)cccc3 -MOL_01_013662,Cc1ccc(C)c(c1)NC(N)c2ccn(c2N)CC(N)Nc3cccc(C)c3C -MOL_01_013663,c1ccccc1N2N=C(C=CC2=C)Cc3nc(NCC)nc(n3)N4CCCCC4 -MOL_01_013664,c1ccccc1C(CCC)NC(O)c2ccc(N)cc2 -MOL_01_013665,CC(C)OC(N)C1=C(C)CC(C)=C(C(N)OC(C)C)C1c2ccc(C)cc2 -MOL_01_013666,CC(N)Nc1ccc(cc1)CCC(N)N(C2)CCc(c23)cccc3 -MOL_01_013667,Cc1cccn(c12)c(=O)nc(n2)CCC(=O)N3CCOCC3 -MOL_01_013668,c1cccc(c12)cc(N)n2CC(N)Cc3cccc(Cl)c3 -MOL_01_013669,CC(=N1)CCCC1(C)c2cccc(c2)CC(O)c3ccc(cn3)CN -MOL_01_013670,c1ccccc1C(N)N2CCN(CC2)c3ncccc3C(N)(N)N -MOL_01_013671,CCCn1ncnc1-c2ccccc2CCC3=NCCC3 -MOL_01_013672,CCc(c1)ccc(c12)n3c(c(n2)N)c4c(c3)cccc4 -MOL_01_013673,Cc1ccc(C)c(c1)NC(N)c2nc(C)c(C)nc2C(N)CC(C)C -MOL_01_013674,CC1(C)CC(CC(N1)(C)C)NC(=C)C(=C)Nc2ccc(cc2)-n3cnc(c3)CCCCCC -MOL_01_013675,ClC1=NC(Cl)=NN(N12)CN3N(C2)N=C(Cl)C(=N3)Cl -MOL_01_013676,c1cccc(c12)nc(C(=N)OCC)c(n2)CCc3cccc(F)c3 -MOL_01_013677,Oc1ccc(cc1)CN2CCC(C2=N)N3CCC(CC3)c4ccc(O)cc4 -MOL_01_013678,C1OCOCN1C(=C)OCc(c(c2)CN)nc(c23)cc4c(c3)COOC4 -MOL_01_013679,NCc1cc(CN)c(nc1N)CCCC(=O)Nc2ccc(Cl)cc2 -MOL_01_013680,NCc1ccc(n12)c(CC(=O)N)nc3c2cccc3 -MOL_01_013681,CCc(c1)c(CC)cc(c12)c(C)nc(C)c2CC(O)CC3OOOOO3 -MOL_01_013682,Nc1ccc(cc1)-c2cccc(c2)C(N)CCC3CCCCC3 -MOL_01_013683,C=C(C)c1cccc(c1)N2CCN(CC2)C(=C)C3CCCN(C3)C(O)O -MOL_01_013684,Cc1ccccc1-c2nc(N)nc(n2)-c3cccc(c3)N4CCC(CN)CC4 -MOL_01_013685,CCn1cnnc1CNC(=O)N2CCCC(C2)c3ccc(F)cc3 -MOL_01_013686,Nc1cccn(c12)c(=O)nc(n2)CCC(=O)Nc3cccc(c34)cccc4 -MOL_01_013687,C=CC(=O)CCc(c1)ccc(c12)ncnc2Cc3cccc(c3)CN -MOL_01_013688,C=C(C)c(c1)ccc(c12)nc(cc2)C3CCCCC3NCN -MOL_01_013689,c1ccccc1-c2cc(C)c(cc2)C(N)N(CC3CC3)CC4CCCN4 -MOL_01_013690,CCc1nnc(n12)CC3C(=N2)c4c(C3)cccc4 -MOL_01_013691,CC(=O)c1cccc(c1N)CCCCCCc2ccc(c(C)c2N)C(=O)CCN -MOL_01_013692,NC(N1)CCc(c12)ccc(c2)NC(N)C3CCN(CC3)c4ccc(F)c(F)c4 -MOL_01_013693,CCC(N)c(c1)ccc(c12)Cc3c(cccc3)C2(O)CC4CCN(C)CC4 -MOL_01_013694,c1ccoc1CCNC(=O)C(=O)NCC2CCCN2Cc3ccccc3 -MOL_01_013695,Cc1cccc(c1)OCCCC(N)Cc2ccc(cc2)C3CCOCC3 -MOL_01_013696,CCCc(c1C)c(N)nc(n12)c(cc2)CN -MOL_01_013697,Cc1ccc(cn1)Cc2cncc(n2)NC(O)c3cccc(c3)CN -MOL_01_013698,Cc1ccc(cc1)CN2CCC(C2=N)N3CCCC(CC3)c4ccc(O)cc4 -MOL_01_013699,CC(C)C1CCC(CC1)C(N)CCCc2ccccc2N -MOL_01_013700,Clc1ccc(cc1)C(=N)CCC(=N)CC2CCN(C2)Cc3ccc(Cl)cc3 -MOL_01_013701,CCCC(N)c1cc(c(N)nc1C)Cc2ccc(C)cc2 -MOL_01_013702,CCCc1ccc(C(C)O)cc1NC(O)c2cccc(c2)-n3ccnc3 -MOL_01_013703,CC(=O)Nc1ccc(cc1)-c2cc(nn2C)Nc3ccccc3 -MOL_01_013704,c1ccccc1CN(CC)C(c2cccc(c2)CN)c3nccn3C(C)(C)C -MOL_01_013705,Cc1ccc(c(C)c1C)NC(=O)CN(C)C(=O)C2=NOCCO2 -MOL_01_013706,Cn1cccc1C(=N)N(CC2)CCC23CCN(CC3)c4ccccn4 -MOL_01_013707,c1cccnc1N2CCN(CC2)C(N)c3cccc(c3)CCc4ccccn4 -MOL_01_013708,N=C1C(C)C(C)=NC1(c(cc2N)ccc2)c3ccccc3 -MOL_01_013709,CC(C)CC(N)CC(N)(N)c1cc(CC)ccc1Nc2cccc(C)c2 -MOL_01_013710,Cc1cc(nc(n1)C)CCc2ccc(cc2)-n(c3O)cc(c34)cccc4 -MOL_01_013711,Cc1ccc(cc1)C(C2=O)=NC(=O)c(c23)c(C)ccc3 -MOL_01_013712,c1ccncc1C(CN)CN2CCN(CC2)C(N)C(c3ccccc3)c4ccccc4 -MOL_01_013713,NOCCc1c(C)n(cc1)CCCc2cn(cn2)CCc3ccn(c3C)Cc4ccccc4 -MOL_01_013714,OC1C(C)=CC(O)c(c12)ccc(n2)CO -MOL_01_013715,C=C(O)c1cccc(c1)CC(=O)Cc(c2)ccc(c23)n(C)c(n3)N -MOL_01_013716,Fc1cc(ccc1)C(=O)N2CCN=C2CCc3cccnc3 -MOL_01_013717,Cc1ccccc1-n2c(C)nnc2CC(C)C(=O)NCC3CCCC3 -MOL_01_013718,CC(=O)c1cncc(c1)OCc2cccc(c2)CC(=O)Cc3ccccc3 -MOL_01_013719,C1COCCN1CCCNc2ccc(c(c23)C(N)c4c(C3N)cccc4)NCCCN5CCOCC5 -MOL_01_013720,NCNC(=O)c1cc(C2CC2)c(cc1F)CCC34CC5CC(C3)C(F)(F)C(C5)C4 -MOL_01_013721,CCc1cc(CN)ccc1Cc2ccc(cc2)CC(NC)C(=O)C -MOL_01_013722,CCC(N)c1cnccc1CC(N)Cc2cccc(c23)cccc3 -MOL_01_013723,C=C(C)c1ccc(cc1)-n2nc(nc2C)C(=O)Cc3ccc(CN)cc3 -MOL_01_013724,NCc1ccc(cc1C(C)O)-c2nc(C3CCCCC3)nc(n2)C4CCCCC4 -MOL_01_013725,CC(C)N1CCC(CC1)Oc2ccc(cc2)N3CCN(CC3=N)C(=N)c4ccc(Cl)cc4 -MOL_01_013726,CC(=O)c1ccc(=O)n(n1)Cc2cc(N)ccc2CN -MOL_01_013727,COC(N)c1cccc(c12)nc3c(n2)ccc(c3)C(N)CCc4ccccc4 -MOL_01_013728,Cc1ccc(nc1)NC(=O)CCc2ccc(Cl)cc2Cl -MOL_01_013729,C=C(C)c1ccccc1C(CNN)Cc(c2)ccc(c23)N(C)C(=C)N3C -MOL_01_013730,N=C(O)c1ccc(cc1)C2(CC2)NC(=N)C3CCCCN3Cc4ccc(C(F)(F)F)cc4 -MOL_01_013731,CCc1ccc(cc1)CN2CCC(CC2)C3(c4ccccc4)CCC(=N)NC3=N -MOL_01_013732,Cc1ccc(n1C)CCC(=O)N2CC(=O)Nc(c23)cccc3 -MOL_01_013733,C=C(N)CN(CC(=C)N)CC(C1)=C(C(=C)C)N(C12)C(=C)C2C(C)C -MOL_01_013734,C=NC(N)CN(CC1)CCC1(CN)c2ccc(CCC)c(c2)CC3CCCC3 -MOL_01_013735,CC(O)CNC(O)c(n1)ccc(c12)cc(cc2)Cc3ccc(cn3)C(C)(C)C -MOL_01_013736,c1cccc(c12)c(nn(c2=N)CC)Cc3ccc(Cl)cc3 -MOL_01_013737,Cn1cnc(c12)c(ncn2)CC(CC34)C(C3)CC4 -MOL_01_013738,Clc1cc(ccc1)C2(O)C(=N)Cc(c23)cc(cc3)C(N)(N)N -MOL_01_013739,CC(=O)c1ccc(cn1)CC(=O)C2CCC(CC2)N(C3=O)C(=O)C4C(CC5)CC5C34 -MOL_01_013740,Nc1cccc(N)c1Cc2ncccc2C3CCNCC3 -MOL_01_013741,Cc1c(C(C)(C)C)cc(cc1C(C)(C)C)C2CCC(N)N2CCCN -MOL_01_013742,NC(O)c1cc(ccc1Cl)-c2cccc(c2)COc(c3)ccc(c34)C(N)N(C4)CC5CC5 -MOL_01_013743,c1cccnc1CCNC(=O)C23C(CNC2)CCN(C3)c4ncccn4 -MOL_01_013744,NCC12C(CCC1)N(C)CN=C2c3cccc(O)c3 -MOL_01_013745,C=C(O)c1ccn(C)c1C(=O)Nc2cccc(Cl)c2 -MOL_01_013746,C1CC1(C)C(C(N)N)CC(N)c2cccc(c23)cccc3 -MOL_01_013747,Cc1ccc(C)c(c1)NC(N)c2ncn(c2N)Cc3ccccc3C -MOL_01_013748,c1nccc(c12)CN(C2)C(=C)NCc3ccc(cn3)CC4CCN(CC4)C5CCCCC5 -MOL_01_013749,Cc1c(Cl)cccc1CC(=N)Cn2cc(C(N)(N)N)cc(Cl)c2=N -MOL_01_013750,Cc1cc(C)c(c(C)c1)Cc2cc(ncc2C(=O)N)Nc3ccc(CN)cc3 -MOL_01_013751,c1cccc(c12)C(N)C(=C(N)C2N)CCCC3CCCCC3 -MOL_01_013752,n1ncn(c12)c(cc(n2)C)CCC(O)c3cccc(c3)C(C)(C)C -MOL_01_013753,NCCc1cc(ncn1)NCc2cccnc2Cc3ccc(N)nc3 -MOL_01_013754,C1CCCC(C12)C(=O)N(C2=O)CCC(=O)N(C)CC(=O)Cc3ccc(F)c(F)c3F -MOL_01_013755,Cc1ccc(cc1)Cn2c(CO)cnc2CCC(=N)Nc3cccc(F)c3 -MOL_01_013756,c1cccc(c12)C(N)C3=C(C2N)CC(C3)c4ccc(F)cc4 -MOL_01_013757,C=C(O)c1ccc(cc1)C2C(CCCC3O)=C3CC(=C24)C(O)CCC4 -MOL_01_013758,c1ccccc1C(NN)C(=O)Nc2ccccc2N(N)Cc3ccccc3 -MOL_01_013759,Cc1ccc(nc1)NC(=O)c2cccc(c2)CN(C)c3ccc(Cl)cc3 -MOL_01_013760,c1cccc(c12)cc(O)n2CCCC(O)Cc3cccnc3 -MOL_01_013761,NCc1ccc(cc1CN)CCNCCC(c2ccccc2)c3ccccc3 -MOL_01_013762,COc1ccc(cc1OC)C2(CCCC2)CCC(N)C(N)Cc3ccccc3C -MOL_01_013763,CCc1ccc(cc1)C(C)NC(=O)c(c2)ccc(c23)ONO3 -MOL_01_013764,Cc(c1)ccc(c12)CNC(N2)CN3CCN(CC3)c4ccccc4CN -MOL_01_013765,C1CCCCC1c2ccc(C(=C)O)cc2C(=O)CCC(=O)C3CNNN(C)C3 -MOL_01_013766,Cc1ccc(cc1)CCCc(c2)ccc(c23)N(C(N3)C)C(=O)N4NNN4 -MOL_01_013767,Fc1ccccc1CNC(=O)C(=O)NCC(N2CCCCC2)c(c3)ccc(c34)CCC4 -MOL_01_013768,NCc1ccc(Cl)cc1-c2nc(N)nc(n2)Nc3ccc(Cl)cc3 -MOL_01_013769,CC(N)c1cncc(c1)OCc2cccc(c2)CC(N)c3cccc(F)c3 -MOL_01_013770,CC1=NN=NC(N12)=NCC(C2)C(=N)c3ccc(cc3)-c4ccccc4 -MOL_01_013771,NCC(=O)c1nnn(c1C(=O)CN)-c2cccc(Cl)c2 -MOL_01_013772,FC(F)(F)c1cc(ccc1)COc2nn(C)cc2C(N)/C=C/c3ccccc3Cl -MOL_01_013773,Cc1ccc(nc1)CC(N)C2CCN(CC2)C(N)c3ccc(Cl)cc3 -MOL_01_013774,NCCc1ncccc1NC(N)N2CCN(CC2)c3cccc(N)c3N -MOL_01_013775,c1ccccc1C2(CC2)C(=N)N(CC)CC(=N)Nc3c(F)cccc3F -MOL_01_013776,Cc1cc(ccn1)C(=O)NC2CCCCC2N -MOL_01_013777,c1ccccc1NCc2nnc(n2CC)CCC(=O)Nc3ccc(cc3)C(=O)c4ccccc4 -MOL_01_013778,C1CCCC1(CO)CC(=O)c2ccc(C3CC3)c(n2)CCC4CC4 -MOL_01_013779,Cc1ncccc1C(=O)c2cccc(n2)C3CCCCC3 -MOL_01_013780,c1cccc(c12)nc(nc2C)CCc3nnc(n3C)CCCc4ccc(CN)cc4 -MOL_01_013781,C=C(O)c(c1)ccc(c12)nc(cn2)CNc3ccc(cc3)C(O)NCC -MOL_01_013782,C1CCCN1C(=O)C(N)C2CCC(CC2)NCc3ccc(Cl)c(Cl)c3Cl -MOL_01_013783,Cc(n1)c(C)nc(c12)cc(F)cc2CCc3ccccc3C(C)O -MOL_01_013784,CCC(=O)c1c(C)nc(C)nc1CCC(=O)Cc2ccc(C)cc2 -MOL_01_013785,Cc1nc(C2CC2)cc(c1CN)-c3ccccc3N -MOL_01_013786,CCc1c(C)nc(N)c(C(C)C)c1Cc2cccc(c2)C(N)(N)N -MOL_01_013787,CCc(c1)cc(CC)c(c12)c3c(C2(C)C(N)(N)N)cccc3 -MOL_01_013788,CC1C(=O)Cc(ccc(F)c2)c2C13CC(=O)CC3=O -MOL_01_013789,NC1CCCN1c2cc(ccc2C)C(N)NCCc3ccccc3 -MOL_01_013790,NOc1ccc(cc1)C(=NO2)C(=O)C23CCN(CC3)CCc4ccccc4 -MOL_01_013791,CCOc1ccc(C)c(n1)C(=O)N2CCN(CC2)C(=O)ON -MOL_01_013792,C=C(O)c(c1)ccc(c12)ncc(n2)Nc(c3)ccc(c34)CCCC4 -MOL_01_013793,CCN(C)C(=O)Cc(c1)ccc(c12)CCN(C2)CCN -MOL_01_013794,n1nc(C)cc(c12)c(ccc2)CC(=N)Cc3ccc(F)cc3 -MOL_01_013795,CNc1ccc(cc1)C2CC(=CC(N)C2)c3ccc(Cl)c(c3)C(N)(N)N -MOL_01_013796,c1cccc(c12)CC(=N)N(C2=N)CCC3CCN(CC3)Cc4ccccc4 -MOL_01_013797,Cc1cc(C)c(c(n1)O)C(N)(N)c2cccc(C)c2C -MOL_01_013798,CCC(O)CCc1nc(CC(N)N)n(C)c1CCC(O)CC -MOL_01_013799,Cc1ccc(N)c(c1)CC(=N)c2cncn2-c3ccccc3 -MOL_01_013800,Cc1cccc(c12)cc3c(n2)c4c(c(c3)O)nccc4 -MOL_01_013801,NCc(c1)c(CN)cc(c12)CCCCC2CCN3CCN(CC3)c4ccc(F)cc4 -MOL_01_013802,CCc1ccc(cc1)Cn2cnc(c2N)C(=O)Nc3ccc(C)cc3 -MOL_01_013803,Fc1ccc(cc1)C(N)CC(=N)c2cc(ccc2F)N3CCCC3=N -MOL_01_013804,CNc1cc(CC(C)(N)N)ccc1Cc2c(cccc3)c3cc(c24)c(ccc4)C(N)CCCCCCN -MOL_01_013805,Nc1c(Cl)cc(cc1Cl)CNC(C(=C)N2CCCC(C)C2)CCn3cccc3CN -MOL_01_013806,Nc(c1)ccc(c12)nc(nc2C)C3CCCN(C3)CC(C)C -MOL_01_013807,CCc1ccccc1NC(O)Cc2nnc(n2C)CCC(O)NC3CCCC3 -MOL_01_013808,Nc1ncc(cn1)CCc2cc(ccc2C)C(N)Nc3ccc(c(F)c3)CN4CCN(C)CC4 -MOL_01_013809,Cn1c(N)nc(c12)cc(cc2)NC(=N)N3CCCCC3 -MOL_01_013810,NOCCC(C)C(=N)c1cccnc1Oc2ccc(cc2)Cc3ccccn3 -MOL_01_013811,C1CCCCC1c2cc(O)nc(n2)CC(O)Cc3ccccc3F -MOL_01_013812,C=C(C)C1(O)N=C(CO1)c2ccc(CN)c(CN)c2C -MOL_01_013813,Nc1ccc(c(N)c1)CCC(N)CCCC2=CCCCC2 -MOL_01_013814,Cc1cnnc(n1)N2CCC(CC2)Cc3ccccc3Cl -MOL_01_013815,c1ccccc1C(C)Cc2nc(Cl)cc(n2)C(C3(C)C)C(=O)CC3 -MOL_01_013816,CC(C)n1cncc1CCc(c2)ccc(c23)c(N)c(cc3)-c4ccc(cc4)NCN -MOL_01_013817,C=C(O)c1ccc(N)cc1-n2ccc(c23)cccc3 -MOL_01_013818,C1CCCc(c12)ccc(c2)NC(N)CN3CCN(CC3)c4ccc(F)cc4 -MOL_01_013819,c1ccccc1-n2nc(N)cc2C(=O)CCc(c3)ccc(c34)CCC4 -MOL_01_013820,COc1ccc(cc1OC)CCc2cccc(c2)N(C3N)C(N)c(c34)cccc4 -MOL_01_013821,c1cccnc1C(=C)Nc2cnc(cc2C)NC(=C)C3CCCCC3 -MOL_01_013822,NCN(C)c1cccc(c1)NC(=N)c2ccc(cc2)CN(C3)CCc(c34)cccc4 -MOL_01_013823,NCCCCCCc(n1)ccc(c12)c(N)cc(N)c2N -MOL_01_013824,Cc(c1)cc(O)c(c12)c3c(c(c2)N)CN(CC3)Cc4ccccc4 -MOL_01_013825,c1cccc(c12)C(NCN2C)CNC(=N)c3cccc(C(F)(F)F)c3 -MOL_01_013826,c1ccc(n12)nc(cc2N)CC(C3)CCc(c34)cccc4 -MOL_01_013827,CC(N)c(c1)cnc(c12)c(N)ccc2 -MOL_01_013828,NCc1ccc(Cl)cc1C(=O)NC(=O)NCCCN2CCN(CC2)c3cccc(N)c3 -MOL_01_013829,Nc1cccc(Cl)c1CNc2cn(c(n2)N)-c3ccccc3 -MOL_01_013830,CCCc1cc(ncn1)NCc2cccnc2Cc3ccc(C)nc3 -MOL_01_013831,NCCCCCNCc1ccc(cc1)OC(C2N)=CC(N)c(c23)cc4c(c3)cccc4 -MOL_01_013832,c1ccccc1-n2cc(ON)c(n2)C(N)CCCCN3CCCC(N)C3 -MOL_01_013833,Fc1ccccc1N2CCN(CC2)Cc3cc(N)c(cc3)CCC(N)NC4CCCCC4 -MOL_01_013834,c1ncncc1C(C)(C2CC2)c3ccc(N)cc3 -MOL_01_013835,c1cc(F)cc(c12)C(=NC(C(C2)O)C(=O)C)c3ccccc3 -MOL_01_013836,Cc1ccccc1-c2ccc(cc2)C(=N)NC(C(=N)CCC(C)C)Cn3ccnc3 -MOL_01_013837,C1CCCCN1c2nc(C)c(C(=C)C)c(n2)CCCNC -MOL_01_013838,C1CCCCC1CC(O)N2CC(C2)Cc3ccc(cc3)NC(O)N(C4)Cc(c45)ccnc5 -MOL_01_013839,c1cccc(c12)N=C(c(cc3)ccc3C)CC(=N2)CCC(=O)Nc4ccccc4ON -MOL_01_013840,O=C1C(=C)C(=O)Cc(c12)cc(cc2)CC(=O)c3ccc(F)cc3 -MOL_01_013841,NCc1cccc(c1)CCc2nc(N)c(N)c(n2)Cc3c(Cl)cccc3Cl -MOL_01_013842,CC(C)Cc(c(F)c1)cc(c12)CC(C(N)(N)N)C(=C2)C(C)O -MOL_01_013843,O=C1CCCc(c12)cc(cc2)-c3ccnc(c3)CC(=O)C4CC4 -MOL_01_013844,Cc1nc(C(C)C)nc(c1CN)NCc2cccnc2 -MOL_01_013845,Cc1nc(O)c(CN)c(C)c1CCC(N)CCc2cccc(C(F)(F)F)c2 -MOL_01_013846,C12CN=C(C(C1)C2(N)N)CN(C)Cc3ccc(cc3)-c4ccc(ON)c(c4)ON -MOL_01_013847,C12CCN(CC1)CC2OC(N)C3c(cccc4)c4N=Nc(c35)cccc5 -MOL_01_013848,c1cccc(c12)C(=O)C(=NC2=O)CCc3cccnc3 -MOL_01_013849,COc1ccc(C(C)(C)C)cc1NC(N)c2cccc(c2)CN3CCN(C(C)N)CC3 -MOL_01_013850,Nc1c(F)cc(cc1F)-n2cccc2C(N)c3ccc(cc3)-c4ccccc4 -MOL_01_013851,CCC(N)C(O)NCc1cccc(c1)-c2cccc(c2)C(O)O -MOL_01_013852,C1CCCCCCC1CC(N)N(CC2)CCC23c4c(N=N3)cccc4 -MOL_01_013853,Cn1cc(cn1)NC(=C)NC2CCCN(C2=C)c3ccccc3Cl -MOL_01_013854,C1CCCC1(CN)NC(N)CN(C2)CCc(c23)cccc3 -MOL_01_013855,CC(C)COc1cc(CC(C)O)cc(c1)C(O)O -MOL_01_013856,Cc1ccc(cc1)CCC(=O)n(c2=O)cnc(c23)cccc3 -MOL_01_013857,CC(=N)c1cccc(c12)CN(C2=N)C3CCN(CC3)Cc4ccccc4C(F)(F)F -MOL_01_013858,CC(=O)CCc1cc(c(Cl)cc1N)CC2CCC(CC2)C(=O)CCN -MOL_01_013859,NCc1ccc(cc1)CNC(C(CC)CC)c2ccnn2-c3ccccc3 -MOL_01_013860,C1CNCCN1C(=C)c(n2)ccc(c23)cc(cc3)Cc4ccc(cn4)CN -MOL_01_013861,NC(N)(N)C(C1)C(C(=C)C)=Cc(c12)cc(F)c(c2)C(C)(C)C -MOL_01_013862,Cc1cc(Cl)ccc1CCC(N)Nc2ccccc2C(N)N3CCCCC3 -MOL_01_013863,Cc(c1)cc(C)c(c12)N(C)C(N)c3c(C2)ccc(c3)CN -MOL_01_013864,NCc1ccc(cc1)C(C)CC2NCCc(c23)cc(CN)c(c3)CN -MOL_01_013865,NC(=O)C1CCCCC1NC(=O)c2cnc(C3CC3)c(n2)CCC4CC4 -MOL_01_013866,C=CC(=O)CCCCCCCC(=O)c(c1)cc(F)c(c12)CC(=O)CC2(C)C -MOL_01_013867,CC(C)NCC(N)CC(N)(c1ccccc1)c2ccc(C(C)(C)C)cc2 -MOL_01_013868,N=C1CCCN1c2cc(ccc2)C(=N)NC3CCCN(C3)Cc4ccc(Cl)cc4 -MOL_01_013869,CCC1CCC(CC1)c2ncnc(c23)ccc(c3)N -MOL_01_013870,C=C(C)c(c1)ccc(c12)n(cc2)C(N)(N)N -MOL_01_013871,c1ccccc1C(CC)C(=N)NC(CC(C)=N)c2ccc(Cl)cc2 -MOL_01_013872,c1cncn1-c2cc(ccc2N)NC(=O)c3ccccc3Cl -MOL_01_013873,CCCCn1cc(nn1)C(C)c2ccc(CN)c(CN)c2CN -MOL_01_013874,CCN(CC)CCCC(C)Nc1ccnc(n1)CCc2ccccc2 -MOL_01_013875,CCCCCCc1nccc(n1)-c2cc(C(=O)C)ccn2 -MOL_01_013876,C1CNCCN1c2ccc(=O)n(n2)CCCc3cccc(Cl)c3Cl -MOL_01_013877,CCC1CCCN1C(N)c2cncc(c23)cccc3 -MOL_01_013878,CC(O)Cc1cccc(c12)c(O)c3c(c2)nccc3 -MOL_01_013879,C1CCCCC12C=3C(CC(C)(C)CC3C)NC(=C2CN)CCC(N)Nc4ccccc4 -MOL_01_013880,Cc1ccc(cc1Cl)NC(=O)CCC(=O)C(CCCN)NC(=O)c2ccccc2 -MOL_01_013881,CC(=O)CC(=O)C(N)C(C(=O)C1)C(=O)C1(c2ccccc2)c3ccccc3 -MOL_01_013882,c1ccccc1CC(C(=O)C)CC(=O)C(C)NC(=O)c2ccccc2 -MOL_01_013883,Cc1ccc(cc1)-c2ccc(nn2)CCC(=O)Nc3cc(C)on3 -MOL_01_013884,Clc1ccc(cc1)C(=N)c2ccccc2C(=N)N3CCC(CC3)C(=N)NCCc4ccncc4 -MOL_01_013885,n1cccc(c12)cnc(c2O)C(O)c3ccc(cc3)Cc4ccccc4 -MOL_01_013886,NCc1ccc(cc1)NCc2ccc(cc2)NC(=O)Cc3ccc(F)c(Cl)c3 -MOL_01_013887,Cc1cccnc1C(O)Nc2cnccc2N3CCCC(C)C3 -MOL_01_013888,Cc1n(C)c(C)c(c12)c(CN)cccc2=O -MOL_01_013889,Cc1c(C(C)O)ncc(c1O)C(O)CCc2ccc(F)cc2 -MOL_01_013890,Clc1ccccc1CC(N)c2ccn(n2)C(N)c3cccc(Cl)c3 -MOL_01_013891,c1cccc(c12)cc(c(c2O)C(C)O)-c3ccc(N(C)O)cc3 -MOL_01_013892,Cc1cc(C)nc(n1)CC(C(=O)O)C(CCN)(c2ccccc2)c3ccccc3 -MOL_01_013893,CC1CCN(CC1)C(O)C2(CCCCC2)NC(O)Nc3ccccc3CN -MOL_01_013894,Fc1cc(F)cnc1NC(O)c2cc(ccn2)Cc3cncnc3 -MOL_01_013895,C1CCCN1Cc2ccc(C)c(c2)C(=C)Nc3ccc(cc3)-n4cnnn4 -MOL_01_013896,n1ncoc1C(NOC)c2ccccc2COc3cc(C)ccc3C -MOL_01_013897,C1CCCc(c12)ccc(c2)NC(=C)C3CC(=C)N(C3)c4ccc(CN)cc4 -MOL_01_013898,CCCC(N)C1=C(C)NC(C)=C(C(N)CCC)C1c2ccc(C)cc2 -MOL_01_013899,Nc1nc(N)n(n1)CC2CCCN(C2)Cc(c3)ccc(c34)CCCC4 -MOL_01_013900,CCc1c(O)nc(CCC(OC)OC)nc1Cc2cccc(c23)cccc3 -MOL_01_013901,C=C(O)c1cc(ccc1Cl)NC(O)C(NCCCC)c2ccccc2 -MOL_01_013902,NNCc(c1)c(CN)cc(c12)c(ncn2)Cc3cccc(Cl)c3 -MOL_01_013903,NCC(CN)Cc1ccc(N)c(c1)CC(=C)CCC(=C)CC(C(=C)C2)C(=C)C2(N)N -MOL_01_013904,CC(C)c1ccc(n12)ccc(c2)N3CCC(CC3)C(N)NC4CC4 -MOL_01_013905,CCCC(=O)CCN(CC1)CCC1(C(=O)CC)N(C(=O)CC)c2ccccc2 -MOL_01_013906,CCNCC1CCN(C1)Cc(c(n2)N)cc(c23)cccc3 -MOL_01_013907,CCC(N)c1ccc(cc1)C2C(CN)=C(N)Cc(c23)cc(N)cc3 -MOL_01_013908,CCOc1ccc(cc1)CCc2ccc(cc2)CC(C)NC(=O)ON -MOL_01_013909,CC(C)n1ccc(n1)C(=O)CCC2CC(=O)N(C2)Cc3ccccc3 -MOL_01_013910,C=c1ncnc(c1=2)C(=CN2)CN(CCC)CC(C)CC -MOL_01_013911,Cc1ccccc1CC(N)Cn2c(N)cc(c23)cccc3 -MOL_01_013912,CC(C)CCCCN(C1)CCCc(c12)cc(cc2)Cc3ccc(cn3)C(=N)N -MOL_01_013913,CCC(=N)NC(C)c1ccc(cc1)CN(C2)CC(=N)c(c23)cc(cc3)OCC(C4)C4(Cl)Cl -MOL_01_013914,c1ccccc1C(O)(CCC(CN23)(ON)C(CC2)CC3)Cc4ccccc4 -MOL_01_013915,NCc1cc(cc(c1)CN)C(=C)N2CCC(CC2)N3CCN(CC3)c4ccccc4CN -MOL_01_013916,CC(C)(C)c1ccc(cc1)C(CC(=O)C)NCc2ccccc2CN -MOL_01_013917,CCc1nccn(c12)c(nn2)Cc3ccccc3N -MOL_01_013918,C1CC12c3c(C(O)N(N)N2N)cccc3 -MOL_01_013919,Cc(n1)nc(O)c(c12)ncc(n2)C(O)NCc3ccc(F)cc3 -MOL_01_013920,NCC1CCCN1C(=C)C(N)Cc2ccc(CN)cc2 -MOL_01_013921,NCc1cc(cc(F)c1)NC(=C)Nc2ccc(cc2F)C3CCCNC3 -MOL_01_013922,NCc1ccc(nc1CN)-c2ccccc2N -MOL_01_013923,CCCC(CCN)Cc1nc(C)nc(c12)cc(cc2)CN -MOL_01_013924,c1cccc(c12)C(=C)C(C)(C(C2)(N)N)CNc3ccccc3 -MOL_01_013925,c1ccccc1C2=NN(NNC2=C)C(=C)CCC(=C)c3ccc(NC)cc3 -MOL_01_013926,CC(C)(C)c(c1)cc(CN)c(c12)C(CC2=O)(c3ccccc3)c4ccccc4CN -MOL_01_013927,CC(O)Cc(c1)ccc(c12)nc(O)c3c2cccc3 -MOL_01_013928,CCN(CC)C(=O)C1=NC(=NCC1C)c(c2)ccc(c23)CCC3 -MOL_01_013929,Cc1ccc(cc1)C(C(=C(O)C2)C(=N)CC2(C)C)C(=C(O)C3)C(=N)CC3(C)C -MOL_01_013930,c1ccccc1CC(C(=N)O)N(Cc2cccnc2)C(=N)c3ccc(Cl)cc3Cl -MOL_01_013931,Cc1ccc(Cl)c(c1)CCC(N)Nc2ccccc2C(N)NC3CC3 -MOL_01_013932,Cc(c1)cc(C)c(c12)nc(cc2O)CC3CCC(O)C3 -MOL_01_013933,NCc1c(CN)cc(cc1CN)NC(=C)c2cccc(c23)CN(C3=C)Cc4cccnc4 -MOL_01_013934,NCc1ccccc1C(N)NC2CCCc(c23)cccc3 -MOL_01_013935,c1cncn1CCCCC(N)C(C)Cc(c2)ccc(c23)c4c(c(c3)N)CCC4 -MOL_01_013936,CN1CCC(CC1)Nc2cc(ccc2CC)CNc3cc(Cl)cc(Cl)c3CN -MOL_01_013937,NCc1ccc(cc1)Cc2nnc(cc2CN)-c3ccccc3 -MOL_01_013938,Cc1ccccc1C(N)c2cccn2CC(N)CCc3ccc(F)cc3 -MOL_01_013939,C=C(O)c1cn(cn1)CCCCCc2ccnc(c23)cccn3 -MOL_01_013940,c1ccccc1C2(c3ccccc3)NC(N)N(C2N)CCNc4ccc(F)cc4 -MOL_01_013941,Clc1ccc(cc1)CCNC(=O)C2CCN(CC2)Cc3ccc(cc3)-n4cnnn4 -MOL_01_013942,CC(=N)c1ccccc1NC(=N)c2ccc(cc2)CN(C3)CCc(c34)cccc4 -MOL_01_013943,CC(C)Cc1cccc(c1)C(=O)C2CN(CNN2)C(=O)NNc3cnn(C)c3 -MOL_01_013944,Cc1ccnc(c1)CC(N)c2ccc(nc2)C(C3)CCc(c34)cccc4 -MOL_01_013945,Clc1ccc(cc1)-c2cc(C)c(nc2)C(O)CCC(C)O -MOL_01_013946,c1ccncc1CCc2cc(ccc2C)C(=O)Nc3ccc(cc3)CN4CCN(C)CC4 -MOL_01_013947,C=C1CCc(c12)cc(c(c2)CN)CCN3CCN(CC3)C(=C)Cc4ccc(cc4)-n5ccnc5 -MOL_01_013948,Nc1c(Cl)cc(cc1Cl)CNC(C(=C)N2CCC(C)CC2)CCn3nccc3Cl -MOL_01_013949,NOc1cccc(c12)c(ccn2)Oc3ccccc3N -MOL_01_013950,Fc1ccc(cc1)CN(C)c2cc(ncn2)C(=N)Cc3ccccc3 -MOL_01_013951,c1cccc(c12)C(N)c3c(C2N)c4c(cc3)nccn4 -MOL_01_013952,c1cccc(c12)nc(OC)c(c2)CCc3noc(n3)COc4ccccc4 -MOL_01_013953,CCN(CC)CCNC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)CN(C)c3ccccc3OC -MOL_01_013954,c1cncnc1C(C)C(C2=O)CCc(c23)cccc3 -MOL_01_013955,CC1CCC(CC1)CC(=O)CN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_013956,Cc1cc(F)cc(c1)Cc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_013957,c1ccccc1C(CC)C(=N)Nc2ccc(cc2)CNc3ncccn3 -MOL_01_013958,NCc1ccc(cc1)-n2cccc2CCc3nc(N)nc(n3)N4CCCCC4 -MOL_01_013959,Cc1ccc(cc1)-c2cc(O)n(n2)CN3CCC(C)CC3 -MOL_01_013960,c1cccc(c12)c(cc(n2)C)CNC(N)c(c3)ccc(c34)CCC4 -MOL_01_013961,C=C(C1)CCc(c12)ccc(c2)CCNC(=C)N3CCN(CC3)c4cccc(N)c4N -MOL_01_013962,CCn1nc(C)c(c1C)CCC(O)c2cn(cn2)CC3CCCC3 -MOL_01_013963,CCCC(=O)c1ccc(F)cc1NC(=O)c2ccccc2Cl -MOL_01_013964,CCCCc1cc(N)cc(c12)cc(cc2)OCC(N)NCC3CCC(C(N)O)CC3 -MOL_01_013965,c1ncnn1-c2ccc(cc2C(=C)O)C(N)CC(C)CCc3ccccc3 -MOL_01_013966,NC(N)Nc1ncc(F)c(c12)ccc(c2)-c3ccccc3 -MOL_01_013967,NCc1ccc(cc1CN)C(=C)N(C2)CCc(c23)c(CN)c(CN)c4c3CCC4 -MOL_01_013968,CCc1cc(c(CC)cc1N)CC(N)C(CC23)C(C2)CC3 -MOL_01_013969,Cc1ccc(C(C)C)cc1C(C)C(O)(O)c2cccc[n+]2[O-] -MOL_01_013970,CCCC(=O)C(C)Cc1ncnc(c12)cccc2F -MOL_01_013971,c1ccnc(c12)c(N)ccc2CN(CCN)C3CCN(CC3)Cc4ccccc4 -MOL_01_013972,CCc1c(O)nc(CCC(ON)ON)nc1Cc2cccc(c23)cccc3 -MOL_01_013973,Fc1ccc(cc1)C(=O)CC(NNC(=O)C)C(=O)CNC(=O)Cc2cc(Cl)ccc2CN -MOL_01_013974,NCCC(O)Nc1ccc(cc1)C(O)N2CCN(CC2)c3ccccn3 -MOL_01_013975,CCNc(n1)nc(NCC)n(c12)c(nn2)CCC(N)c3ccc(C(C)C)cc3 -MOL_01_013976,CCC1CCCN(C1)C(=O)CCc2ccc(cc2)C(=O)NC3CC3 -MOL_01_013977,O=C(O)CNC1(CCOC1)c2ccc(cc2)-c3cc(Cl)cc(Cl)c3 -MOL_01_013978,Cc1ccc(F)cc1C(=O)c2cnn(c2)C(=O)CCc3ccccc3F -MOL_01_013979,C1CC1CCC2(C(N)(N)N)CC(=N)Cc(c23)ccc(Cl)c3 -MOL_01_013980,Nc1ccnc(n1)N2CCC(CC2)C(N)CCc3ccccc3F -MOL_01_013981,Cc1ccccc1Cc2cnccc2CCC(N)(N)N -MOL_01_013982,O=C1NCCN1C(=O)CCC(=O)C2(CCCC2)c3ccccc3F -MOL_01_013983,CC(C)NC(C=1)=Nc(c12)ccc3c2=CC(=N3)NC(N)c4cccc(c4)CN -MOL_01_013984,Cc1ccc(cc1)-c2cncc(n2)C(O)c3ccc(C)cc3 -MOL_01_013985,C=C(C)c(c1)ccc(c12)N(C(O)=C(O)N2C)CCCCCCl -MOL_01_013986,NCc1ccc(cc1)OCCOc2ccc(cc2)CC(C3N)=C(O)C(N)c(c34)cccc4 -MOL_01_013987,C1CCCC1CNC(=O)CCC(=O)c2cccc(c23)cccc3 -MOL_01_013988,CC(C)N1CCC(CC1)Cc2ccc(c(F)c2)C(=N)NC3CCN(C(C)C)CC3 -MOL_01_013989,CC(C)CCNC(=N)C1CNCC(C1)N(C2(C)C)CC(=N)N(C2)c3ccccc3Cl -MOL_01_013990,CC(=O)CCc(c(C)c1C)cc(c12)cc(C)c[n+]2[O-] -MOL_01_013991,c1cccc(c12)cc(c(c2N)OCCC)-c3cc(OC)c(OC)c(c3)OC -MOL_01_013992,CCC12CC3C(C(C1)CC(C3)C2)NC(=C)C(N)(N)Cc4ccc(C)cc4 -MOL_01_013993,NC1C=C(C(C)C)C(N)c(c12)cc3c(c2C)CCCC3(C)C -MOL_01_013994,CCC(C1=O)=NC(=O)c(c12)c(C)ccc2C -MOL_01_013995,c1ccncc1C(=O)NCCCC(O)c2ccc(F)cc2 -MOL_01_013996,Cc(n1)cc(C)n(c12)cc(n2)CCc(c3)cc(O)c(c34)cc(Cl)cc4 -MOL_01_013997,C=C(O)c1cccc(c1)C2CC(=O)CC(C)=C2C(=O)Cc3ccc(F)cc3 -MOL_01_013998,Cn1nc(N)c(c1CN)CCC2CCc(c23)cc(N)cc3 -MOL_01_013999,CCCC(O)C(O)Nc1ccccc1C(C)C -MOL_01_014000,CCCOc(c1C)oc(=O)c(c12)cc(cc2)NC(C)NCc3ccccc3 -MOL_01_014001,Cc1cc(CN)cnc1-c2ncc(c(n2)C)CC(C)C -MOL_01_014002,NCn1cnc(N)c1CC2C(=N)C(CC2)c3ccccc3 -MOL_01_014003,c1cccc(c12)NNCN2C(=O)c3ccc(cc3)CN4CNNC4 -MOL_01_014004,Fc1ccc(cc1)NC(=O)CN(C)C(=O)CCC(=O)Cc2c(F)cccc2Cl -MOL_01_014005,NCc1ccc(cc1CN)CNc(c2)ccc(c23)Cc4c(NC3F)cccc4 -MOL_01_014006,CCCC(O)c1cc(C(O)CCC)c(nc1C)C2CCCCC2 -MOL_01_014007,c1ncc(n12)c(nnc2C)-c3ccccc3 -MOL_01_014008,c1ccccc1-c2ncc(N)n2CC(N)NCc3ccccc3 -MOL_01_014009,NCc1cccc(c1)CN2CCC(CC2)NC(N)c3ccc(Cl)nc3Cl -MOL_01_014010,C=C(N1)CCc(c12)ccc(c2)NC3=NCCN3 -MOL_01_014011,CCCc1cccc(F)c1C2CC(=O)NC2=O -MOL_01_014012,CCCCC1CN=C(C)N1CCCc2cc(ON)c(ON)c(c2)ON -MOL_01_014013,Cc1ccc(nc1)NC(=O)c2cccc(c2)CN(C3)CCc(c34)cccc4 -MOL_01_014014,Clc1ccc(cc1)NC(=N)NC(Cc2ccccc2)C(=N)N3CCCCC3 -MOL_01_014015,CC1(C)CCC(C1)CCC(N)c(n2)cn(c23)c4c(cc3)cccc4 -MOL_01_014016,NC1C(C)=C(C)C(C)(C)c(c12)cc3c(c2C)c(C)c(c(c3)C)C(C)N -MOL_01_014017,Nc1ccc(cc1)-c2cnc(C)c(c2)-n3cnc(N)c3 -MOL_01_014018,c1ccccc1-c2cc(ccc2)C(N)Nc3ccccc3C(N)N4CCCCC4 -MOL_01_014019,c1cccnc1-c2nc(C)c(c(n2)N)CC3CC3 -MOL_01_014020,CN1CCC(C1)C(=N)N2CCC(CC2)c3ccc(cc3)NC(=N)N(C4)Cc(c45)cccc5 -MOL_01_014021,NCc1cc(CN)ccc1CCC(=C)Nc2ccc(C)c(c2)CN3CCCCC3 -MOL_01_014022,c1cccnc1Nc2ccc(cc2)Cc3nccnc3NC4CCCCC4 -MOL_01_014023,CC(O)Cc1c(F)cc(F)c(F)c1C(O)Nc2ccccc2 -MOL_01_014024,COc1ccc(cc1)-c2cc(-c3ccc(O)cc3)nc(n2)C4CCOCC4 -MOL_01_014025,NCc1cccc(c1)N(CN)CC(=O)NCCCCc2ccc(Cl)cc2 -MOL_01_014026,c1cccnc1CN(C)C(=N)CC2C(=N)NCCN2Cc3cccc(c3)Oc4ccccc4 -MOL_01_014027,Cn1cc(cn1)-c2cc(ccc2Cl)C(N)Nc3ccc(CC(F)(F)F)cc3 -MOL_01_014028,c1cccc(c12)c(nc(n2)C)CCC3CCC(CC3)C(N)CCc4ccc(ON)cc4 -MOL_01_014029,Cc1nc(C2CC2)cc(c1CN)-c3ccccc3CN -MOL_01_014030,c1cccc(c12)N(C(N)O)c3c(CC2C)cccc3 -MOL_01_014031,c1cccc(c12)c3c(nc2N)nccc3Nc4ccccc4 -MOL_01_014032,NCc1ccc(cc1CN)Cc2nc(C)n(n2)-c3ccccc3Cl -MOL_01_014033,CC(C)NCc1ccc(cc1)-c2ccc(cc2)NC(=N)c3ccc(CN)cc3 -MOL_01_014034,CNN1CC(N(N)N1C)n2ccc(C)nc2=O -MOL_01_014035,C1CCCc(c12)c(=C)n(c2=C)-c3ccc(N)cc3N -MOL_01_014036,CC(N)c1cc(nc(n1)N)-c2ccc(N)c(N)c2 -MOL_01_014037,CC(C)N1CCN(CC1)C(=O)CC2CCN(CC2)c3cc(CN)ccn3 -MOL_01_014038,CCCC(=O)C1=C(C)CC(N)=C(C(=O)CCC)C1c2ccncc2 -MOL_01_014039,O=CC(=C)CC(CCCN)C(=O)N1CCCC1C(=O)Cc2ccccn2 -MOL_01_014040,Cc1cc(ccn1)-c2ccc(CN)cc2CN -MOL_01_014041,C1CCc(c12)ccc(c2)CNC(=O)C3C=CCN3c4ncccn4 -MOL_01_014042,Cc1ccccc1C(N)c2cccn2CC(N)NCCC3=CCCCC3 -MOL_01_014043,Nc1ccccc1CC(N)c2cnn(c23)cccc3 -MOL_01_014044,CN(C)CCNc1cccc(n12)cnc2CCN -MOL_01_014045,CCCC(=O)Cc1ccc(cn1)-c2cncc(c2)C(=O)C -MOL_01_014046,CCC(=O)C1NNCN1C(=O)Cc2cccc(c2)Cc3c(F)c(F)c(F)c(F)c3F -MOL_01_014047,c1cncn1-c2ccc(cc2)Cc3nc(ncc3C)N4CCN(CC4)CCCN5CCCC5 -MOL_01_014048,NCN1CCN(CC1)CCCNC(O)c2ccccc2NC(O)C3=C(N)CCCC3 -MOL_01_014049,CC(=O)c1c(C)c(CCC)c(cc1)NCc2ccc(C(=O)C)cc2CN -MOL_01_014050,NCN1CCCc(c12)cc(cn2)CCc3ccccc3 -MOL_01_014051,COc1cc(OC)c(C(C)O)c(O)c1C -MOL_01_014052,Nc1ccccc1NC(=O)C(CC2)(CC23CCNCC3)Cc4ccc(cc4)NC5CCCCC5 -MOL_01_014053,NCc1ccc(cn1)CC(=O)c2ccc(cc2)CC(=O)N(C3)Cc(c34)ccnc4 -MOL_01_014054,CCCCc1cccc(c1)C2(N=C(N)N(C)C2N)c3ccc(CN(F)F)cc3 -MOL_01_014055,Clc1cnc(cc1)C(=C)CCN2CC(=C)C(C2)c3ccc(cc3)C4CNCNC4=C -MOL_01_014056,Cc1ccc(cc1)OCc2nnc(n2C)CCC(=O)Nc(c3)ccc(c34)OCO4 -MOL_01_014057,Cc1ccc(cc1)NC(N)NC(N)CCc(c(n2)C)nc(c23)cccc3 -MOL_01_014058,c1cccc(c12)nc(N)c(n2)CCC(=O)CC(=O)Cc3ccc(Cl)cc3 -MOL_01_014059,CC(O)C(O)c1cccn1-c(c2)ccc(c23)CCCC3 -MOL_01_014060,NC(N)c1cccc(c1)CN2CCC(CC2)NC(N)c3ccc(Cl)nc3Cl -MOL_01_014061,Cc1cccc(c1)C(=O)NCC(=O)CCC(=O)N2CCN(CC2)Cc3ccc(C)cc3C -MOL_01_014062,Clc1ccc(cc1)C(=N)NCCCN(c2ccc(CN)cc2)C3=NCc(c34)cccc4 -MOL_01_014063,COc1ccc(cc1Cl)NC(=O)CN(C)C2=NCc(c23)cccc3 -MOL_01_014064,NC(C1)CCc(c12)n3c(nc2)ncc3 -MOL_01_014065,c1ccccc1C2=C(C(N)C(N2)N)c3ccccc3 -MOL_01_014066,Clc1cc(ccc1)CNC(=O)c2cn(C)nc2CCc3cccc(C(F)(F)F)c3 -MOL_01_014067,c1cccc2c1ccc(C3c4ccccc4)c2Cc(c35)ncnc5N -MOL_01_014068,CC(=O)CN1CCCC(C1)c2cncc(n2)Cc3ccccc3CN -MOL_01_014069,CN1CCN(CC1)C(=O)CN(CN)c2cc(C(Cl)(Cl)Cl)ccc2Cl -MOL_01_014070,CC(=O)NC(C)c1ccc(cc1)CN(C2)CCc(c23)c(CN)c(cc3)CCC4CCC4 -MOL_01_014071,Cc1ccc(cc1)CN2CCN(C(N)C2)CCCN(C(=O)N)c3ccc(N)c(C)c3 -MOL_01_014072,c1cccc(n12)nn(c2=N)CCCc3cccc(c34)cccc4 -MOL_01_014073,Cc1ccc(F)c(c1)Nc2c(C(=O)N)ccc(c23)cc(CN)c(c3)CN -MOL_01_014074,c1ccccc1N(C)C(=O)CCC(=O)c2ccc(cc2)CN3CCCC3=O -MOL_01_014075,c1cccc(c12)nc(nc2C)CCC(N)CCc3ccccc3F -MOL_01_014076,C1CC(C)CCC1(N)CCCc2ccc(N)c(c2)C(N)(N)N -MOL_01_014077,CCc1ccc(Cl)cc1C(=O)CCC(=O)Nc2cccnc2Cl -MOL_01_014078,Cc1ccc(c(C)c1)NC(=O)C(=O)NCCC2CCCCN2Cc3ccccc3 -MOL_01_014079,NCc1cccc(c1)C(=O)Nc2cccc(n2)Cc3ccc(C(F)(F)F)nc3 -MOL_01_014080,NCc1ccc(cc1)Nc2ncc(C)c(n2)CCC(N)Nc3ccccc3F -MOL_01_014081,CC(C)Cc1cccc(c1)CC(=O)c(c2)ccc(c23)n(cn3)CN -MOL_01_014082,CN(C)c1ncccc1CN2CCCC(C2)C(=O)Nc3ccccc3 -MOL_01_014083,CC(=O)C(C1)Cc(c12)cc(c(Cl)c2Cl)C(=O)c3ccc(CN)cc3 -MOL_01_014084,c1cccc(c12)c(nnc2C)C(N)N(C)CC(N)Nc3ccc(F)c(F)c3F -MOL_01_014085,CCCCCC(C)CC(=O)N(C)C1CN=C(CC1=O)Cc2cnccn2 -MOL_01_014086,CCNc(n1)nc(NCC)n(c12)c(nn2)CCC(=O)NC34CC5CC(C3)CC(C5)C4 -MOL_01_014087,Cc(c1)c(C)c(CN)c(C2)c1C(=O)C(C)C23CCCCC3 -MOL_01_014088,C1CCOC1CCC(=O)c2ccc(cc2)CC(=O)N(C3)Cc(c34)cccc4 -MOL_01_014089,Cc1cccc(c1C)NC(=O)CCCNC2=NCc(c23)cccc3 -MOL_01_014090,CCCc1ccc(Cl)c(n1)C(N)N2CCCC(C2)N3CCCC3 -MOL_01_014091,Nc1ccc(cc1)C(CN)c2ccccc2N -MOL_01_014092,C1CCCC1Cc2cc(ccc2CC)C(=O)CCC(=O)C3CCCC3CN -MOL_01_014093,FC(F)(F)c1cc(ccc1)C(N)Nc2ccc(C)c(c2)C(N)Nc3cnc(N)nc3 -MOL_01_014094,NCc1ccc(Cl)cc1NC(=O)N2CCN(CC2)c3ccccc3Cl -MOL_01_014095,C1CCCCN1CCC(N)Nc(c2)ccc(c23)c4c(C3N)cc(cc4)NC(N)CCN5CCCCC5 -MOL_01_014096,NCCC(O)C1CCC(CC1)c2cccc(N)c2 -MOL_01_014097,c1ccccc1C(CC(C)N)c(c2O)c(N)cc(c23)cccc3 -MOL_01_014098,c1cccc(c12)cc(C)c(c2)C(N)CCC(N)C3CCC(C)CC3 -MOL_01_014099,NC1CC(C1)NC(N)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_014100,OC1=CC(C)=C(O)N(N12)N=NN=C2Cl -MOL_01_014101,Cc1ccc(c(Cl)c1)NC(N)c2cccc(c23)CN(C3N)C4CCCCC4 -MOL_01_014102,NCc1ccccc1C(O)Nc2nnc(n23)CCC3 -MOL_01_014103,CCc1ccccc1Cn2ccnc2CCC(N)Nc3cccc(C(F)(F)F)c3 -MOL_01_014104,c1cccc(c12)ccc(CCC)c2C(=N)NC(C3)(C(=N)O)Cc(c34)cccc4 -MOL_01_014105,O=C(O)C(N)Oc1cccc(c12)CC(O2)(N)N -MOL_01_014106,Cc1cn(cn1)-c2ccc(cc2ON)C(=N)CCc3cccc(C(F)(F)F)c3 -MOL_01_014107,NCc1cc(ccc1)NC(=C)CN(C(=C)N2)C(=C)C2(C)CCC(C)C -MOL_01_014108,NC(N)(N)c1ccc(cc1)C(=C)N(CC2)C2(N)C(=C)CCc3ccc(CN)cc3 -MOL_01_014109,c1cccc(c12)C(N)C(=C(Cl)C2N)CCCC3CCCCC3 -MOL_01_014110,c1cccnc1CNC(C2)CCc(n23)ncc3 -MOL_01_014111,CCc(c1)c(CC)cc(c12)ncnc2CCc3ccccc3N -MOL_01_014112,CC(C=1)=CC2=NN=NC(C2C13)=CC(=C3)C(N)(N)N -MOL_01_014113,NCc(c1)ccc(c12)nc(Cl)c(c2)Cn3ccnc3Cc4ccccc4 -MOL_01_014114,CCc1ccc(cc1)CCCN(C2O)C(O)c(c23)cccc3N -MOL_01_014115,c1ccccc1CN2CC(C(=N)NCC)C(C2)C(=N)c3ccccc3 -MOL_01_014116,C1CCCCC1(O)CCC(N)c2cc(ccc2Cl)-c3ncc(F)cn3 -MOL_01_014117,NCc(c1)cc(CN)c(c12)c(O)cc(c2)-c3ccc(cc3)CCCF -MOL_01_014118,NCCc1ccc(cc1)-c2ccc(nn2)CCC(=O)CCN3CCNN3 -MOL_01_014119,c1ccccc1CN(C)C(N)C2CCC(CC2)CNCc3cccc(c34)cccn4 -MOL_01_014120,Clc1ccccc1N2CCN(CC2)C(=N)C3CCC(=N)N3Cc4ccccc4 -MOL_01_014121,CC(=O)c(c1)ccc(c12)CC(=O)CN=C2c3ccccc3N -MOL_01_014122,c1ccccc1C(C)(CCC(CN23)(CN)C(CC2)CC3)c4cccnc4 -MOL_01_014123,c1ccccc1C2=NC(CC2)C(=O)NCc3cn(nn3)Cc4ccccc4 -MOL_01_014124,C1CCCCC1NC(=N)c2cccc(c2)C(N)(c3ccc(Cl)cc3)c4cccnc4 -MOL_01_014125,c1ccncc1C(CC(=O)C)Cc2ccccc2NC(=O)C -MOL_01_014126,c1cccc(c12)CNC(=C)C2CCCn3cnc(c3)NC -MOL_01_014127,c1ccccc1C(=O)NC(CCCC)C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2 -MOL_01_014128,CCCc1ccccc1C(=N)NCC2(CCCC2)N3CCN(C)CC3 -MOL_01_014129,c1ccccc1-c2cnc(N)c(n2)C(=N)NCOc3ccccc3 -MOL_01_014130,c1cccc(c12)N(C(N)CC(N2)=C)C(=C)CN3CCC(CC3)CCCCN(CN)CN -MOL_01_014131,NCc1ccc(cc1)CCc2cn(cn2)CC(O)Nc3ccc(CN)c(C(F)(F)F)c3 -MOL_01_014132,N=C(O)C(C)N1CCN(C1=N)c2ccc(cc2)CCc3ccccn3 -MOL_01_014133,C=C(O)c(c1)ccc(c12)C(C)CCC=C2c3ncccn3 -MOL_01_014134,Cc1cccc(c1)C(O)CCC(O)c2cc(C)n(c2C)C3CC3 -MOL_01_014135,NCc1cc(ccc1)CC2(C(=N)CCC)CCN(CC2)Cc3cccc(O)c3 -MOL_01_014136,NOc1cc(ccc1)C(=N)Nc2cccc(c2)Nc(c3)ccc(c34)C(=N)CCCC4 -MOL_01_014137,c1ccccc1CC(CO)CC(=O)Cn2cccc(c2=O)CC(=O)c3ccccc3 -MOL_01_014138,COC(=N)c1ccc(OC)c(c1)NC(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_014139,Oc1cccnc1CC(N)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2 -MOL_01_014140,Cc1ccnc(c1)Cc2ccc(cc2)-c3c(C)nnc(N)c3C -MOL_01_014141,CC(C)Oc(c(C(C)C)c1N)cc(c12)cc(cc2N)-c3ccccc3 -MOL_01_014142,Cc1cccc(c1)-c2ccc(o2)CC3C(=O)ONC3C -MOL_01_014143,CC(C)N1CCN(CC1)C(=O)CC2CCN(CC2)c3cncc(n3)CN -MOL_01_014144,Cc1nn(C)c(C)c1NCc2ccc(cc2)-c3cccc(c3)CN4CCNC(C4)c5ccccc5 -MOL_01_014145,NCc1ccc(cc1CN)C(=N)C2CCCN(C2)C(=N)c3ccc(Cl)cc3 -MOL_01_014146,c1cccc(c12)ccc(c2)C(C)NC(N)c3ccc(N)cc3 -MOL_01_014147,CCc(c1)ccc(c12)nc3c2c4c(c(=O)[nH]c4=O)c5c3cnn5 -MOL_01_014148,NCCCNC(C)c1c(C)c(C)nc(n1)C(C)(C)NC(C)CCc2ccccc2 -MOL_01_014149,CC(C)(C)NC(N)C1CCN(CC1)Cc2cccc(c2)NC(N)c3cc(C(F)(F)F)ccn3 -MOL_01_014150,Cc1cc(C)nc(c1)C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCCC4 -MOL_01_014151,Cc(n1)nc(C)c(c12)c(ccc2)CCc3ccccc3N -MOL_01_014152,CCc1cccc(c1)NC(=O)CN2C=NCc(c23)cccc3 -MOL_01_014153,CCCCn(c1=O)ccc(c12)c(ccc2)CCC(=O)NCc3ccccc3 -MOL_01_014154,COCC(C)CC(=O)C1CCN(CC1)Cc2cccc(c2)CC(=O)c3cccc(n3)C(F)(F)F -MOL_01_014155,C1CCCc(c12)c(ccc2N)Cc3cccc(c3)NC(N)C4CCN4 -MOL_01_014156,CCC1(N)CCC(C1)n2cc(N)c(C)nc2=O -MOL_01_014157,CCc1cc(c(N)cc1N)-n2nc(C)c(C)c2C -MOL_01_014158,CCCC1CC(=O)CC1CCc2cccc(c23)cc(C(=O)N)c(c3)CC -MOL_01_014159,Cc1cc(ON)c(cc1Cl)NC(N)C2CCN(CC2)Cc3cccc(Cl)c3 -MOL_01_014160,C1CCCCC1C(N)Cc2ccc(cc2)NC(N)C3CCCCC3 -MOL_01_014161,c1ccccc1C(N)C2CCC(CC2)C(N)c3ccc(Cl)cc3 -MOL_01_014162,CC(=O)CCCCCCc1nc(C)c(n12)ccc(c2)N -MOL_01_014163,c1cccnc1CNC(N)CCc(cc2)cc(C(N)C3)c2CC34CCCCC4 -MOL_01_014164,CNC1CCC(C1)n2cc(N)c(C)nc2=O -MOL_01_014165,O=C1C(C)(C)CC(=C12)c3cc(c(cc3)CN)CCc4cccc2c4 -MOL_01_014166,NCc1cc(CN)ccc1NC(=C)C2CCN(CC2)C(=C)c3ccc(CN)cc3 -MOL_01_014167,c1cccc(c12)c(=N)n(nc2CC(C)=N)-c3ccccc3 -MOL_01_014168,FC(F)(F)c(cc1)n(c12)c3c(nc2N)ccc(F)c3 -MOL_01_014169,CC(C)CCNC(=N)c1ccncc1-c2ccccc2CNC(=N)OCc3ccccc3 -MOL_01_014170,C1CCc(c12)ccc(c2)C(CC(=O)C)Cc3cc(n(n3)C)CCCCNC4=NCCCC4 -MOL_01_014171,N1=NC(C)(C)Cc(c12)c(C(C)O)c(C)cc2CC -MOL_01_014172,c1ccccc1C(c2ccccc2)C(=N)N3CCN(CC3)CC(CN)c4cccnc4 -MOL_01_014173,c1ccccc1OCCCC(C2N)=C(C(N)c(c23)cccc3)CCCOc4ccccc4 -MOL_01_014174,Cc1cc(ccn1)-c2ccc(cc2)CNC(=N)c(c3)ccc(c34)c5c(C4=N)cccc5 -MOL_01_014175,Cc1ccc(c(c1)CN)CC(=N)C2CCCN2C(=N)C(C)c(c3)ccc(c34)cc(cc4)CN -MOL_01_014176,C=C(O)c1cccc(c1)C(=O)Cc2ccc(Cl)c(c23)cccn3 -MOL_01_014177,CCCCN(C)C(O)c(nc(n12)cccc2)c1CNC3CCC3 -MOL_01_014178,C1NCNCN1C(=O)c2nc(N)nc(c2)NCCc3ccccc3 -MOL_01_014179,c1cccc(c12)nc(cc2C)CCC(=O)N3CCCC3=O -MOL_01_014180,NCc1ccc(cc1)NC(=O)c2cc(Cl)cc(Cl)c2CN -MOL_01_014181,Cc1ccc(cc1)C2=CC(c3cccc(N)c3)NC(=N2)CCCCCN -MOL_01_014182,Cc1cc(C)nc(n1)CCC(=O)Nc2cccc(c2)C(C)c3ccccc3 -MOL_01_014183,C1CCCN1Cc2c(N)c(CN3CCCC3)cc(c2)CC(N)OCC(C4)CCc(c45)cccc5 -MOL_01_014184,Clc1cc(ccc1)NC(=C)CCc2ncc(C(=C)C)c(n2)C(CN)CN -MOL_01_014185,C=C(O)c1c(C)nn(c1C)CC(O)Cc2ccc(cc2)C3CCCCC3 -MOL_01_014186,Nc1cccc(c1)Cc(c2N)c(N)nc(n23)ncn3 -MOL_01_014187,Cc1ccc(c(C)c1)ONc2cccc(c2)C(=O)Nc3ccccc3CN -MOL_01_014188,C1CCCc(c12)ccc(c2)NC(N)N3CCN(CC3)c4ccccc4 -MOL_01_014189,CCNC(N)Cc1cc(CN)cc(c12)cccn2 -MOL_01_014190,CC(=O)C1=C(C)NC(=C(CN)C1CC(C)C)CCC(=O)c2ccc(F)cc2 -MOL_01_014191,CCCCCc1c(CC(C)O)c(O)cc(c12)cccc2 -MOL_01_014192,c1ccccc1-n2nc(C(N)CC)cc2C(N)C3CCC(C)CC3 -MOL_01_014193,C=CNc1ccc(C(=C)N(C)C)c(c1)CNC(=C)Nc2nc(CC)cc(n2)CC -MOL_01_014194,NC(=O)c1ccccc1CCC(=O)N2CCC(CC2)Cc3ccccc3 -MOL_01_014195,Cc1ccc(cc1)C(=C)Nc2c(N)nn(C(N)N)c2N -MOL_01_014196,NC(N)c(cc1)n(c12)c3c(cccc3)nc2CCN -MOL_01_014197,CCc1nnc(n12)CC(CC2)C(=O)c3ccc(C)c(c3)CN -MOL_01_014198,CCc1ccccc1CC(O)Cn2c(O)cc(c23)cccc3 -MOL_01_014199,Cc1ncnc(c12)CCCC(C2=O)C3CCCC3 -MOL_01_014200,c1cncc(c12)CCC2NC(=O)Cc3ccc(F)cc3F -MOL_01_014201,c1ccccc1CN2C(N)CC(Nc(c23)cccc3)c4ccccc4 -MOL_01_014202,CCC1CCCCN1Cc2ccc(c(C)c2)-n3cnnn3 -MOL_01_014203,CNc1cc(C)c(C)cc1CC(N)CNC(N)c2ccc(N)cc2 -MOL_01_014204,CC(C)(C)c1cccnc1NCCNCC(=O)N2CCCC2CN -MOL_01_014205,CC(=O)c1cc(CNC(C)C)cc(c1)-c2ccccc2CN -MOL_01_014206,C1CCCOC1CC2(C(N)OCC)CCC(CC2)Cc3cc(F)ccc3-n4cccn4 -MOL_01_014207,Cc1cc(C)cc(c1)C(=O)Nc2nnc(n23)CCC3 -MOL_01_014208,C1CCCN1C(=C)CNC(=C)CNc2ccc(CN)cc2C(=C)CN -MOL_01_014209,CC(=O)c1cccc(c1)Cn(c2=O)ccc(c23)cc4c(c3)CNC4 -MOL_01_014210,c1ncncc1-c2cc(C)c(cc2)CCC(=O)N -MOL_01_014211,CCC(CC)n1c(C)nc(c12)ncc(n2)CN -MOL_01_014212,Cn1nc(N)c(c1N)NC(=N)CNC(C2CCC2)c3ccccc3 -MOL_01_014213,c1cccc(c12)ncc(n2)C(=N)N3CCN(CC3)Cc4ccccc4 -MOL_01_014214,Cc1cc(ncn1)CC(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_014215,C1CCCCc(c12)cc(CN)c(n2)CCc3ccc(F)nc3 -MOL_01_014216,CC(C)(C)CC(N)N1CCCN(CC1)CCc2cccc(c23)NC(C3)N -MOL_01_014217,CCCC(N)c(n1)nc(c(c12)cccc2)CCc3ccccc3 -MOL_01_014218,c1cccc(c12)nc(C(=O)CCC)c(n2)Cc3ccc(F)cc3 -MOL_01_014219,c1cccc(c12)CCC(C2)C(=C)N(C3CNCN3)Cc4ccc(C(N)N)cc4 -MOL_01_014220,NCc1ccc(c(c1)CN)CCC(=O)c2cnc(nc2N)C3CCCC3 -MOL_01_014221,CCCCC(N)c1cccc(c1)-c2ccc(C)c(c2)CN -MOL_01_014222,Cc1cc(Cl)nc(n1)N2C(=O)CCC2C34CC5CC(C3)CC(C5)C4 -MOL_01_014223,Clc1cncc(Cl)c1NC(=N)c2ccc(CN(C)C)c(c2)CCCCNC3CCCC3=N -MOL_01_014224,Cc1c(N)cccc1CC(N)c(n2)cnc(c23)cccc3 -MOL_01_014225,CC(O)c1ccc(Cl)cc1NC(O)C2CCCC2 -MOL_01_014226,NCc1ccc(cc1CN)CCNC(=O)CCC(=O)c2ncc(Cl)c(Cl)c2Cl -MOL_01_014227,CCCC(O)c(n1)cn(c12)c(O)cc3c2cc(Cl)cc3 -MOL_01_014228,NCCCCNC(=N)c(n1)ccc(c12)cc(cc2)Cc3ccc(C(F)(F)F)cn3 -MOL_01_014229,Cc1ccc(cc1)NCc(n2)nc(O)c(c23)CCC3 -MOL_01_014230,n1cccc(c12)C(=N)C(C2=N)CCc3ccccc3 -MOL_01_014231,NCC(C)CCc1nc(ncc1Cl)Cc2ccc(cc2CN)C(O)N3CCCCC3 -MOL_01_014232,N=C(O)c1ccccc1NC(=N)Cn2c(cccc3)c3c(=N)c(c24)cccc4 -MOL_01_014233,CCCCC(N)c1nc(C)c(C)nc1C(N)Cc2cc(F)ccc2C -MOL_01_014234,CC(=O)Cn1nc(C)c(c1C)CC(=O)CCc2ccc(F)cc2Cl -MOL_01_014235,CCCC(=O)c1ccc(cc1)CC(=O)c(n2)cc(n23)cccc3 -MOL_01_014236,NCC(=O)CCCC(=O)Nc1cccc(c1)CCc(n2)ccc(c23)cccc3 -MOL_01_014237,c1ccccc1C(CN)C(c2ccc(N)cc2)c3ccc(N)cc3 -MOL_01_014238,Cc(n1)nc(C)c(c12)cc(cc2)CCc3cc(CN)ccc3CN -MOL_01_014239,CCc1ccccc1-c2ccc(cc2)CC(C(=O)C)NC(=O)Cc3cccnc3 -MOL_01_014240,COc(c1)ccc(c12)cccc2CCNC(N)C3CN(C3)C(N)c4ccc(Cl)cc4 -MOL_01_014241,CCCCC(CC)CCC(=O)CN(C1=O)C(=O)N=C(C1=2)C=CC2 -MOL_01_014242,Cc1cn(C)c(CN)c1CCC2CCc(c23)cc(N)cc3 -MOL_01_014243,C1CCCc(c12)c3c(cc2)c(cc(c3)N)Nc4ccccc4N -MOL_01_014244,CC(C)c1ccc(cc1)-n2cnc(c2)C(=N)c3ccccc3N -MOL_01_014245,CCc1ccc(cc1)-c(c(C(C)O)c2O)cc(c23)cccc3 -MOL_01_014246,Cn1cc(cn1)CC(N)Cn2ccc(c23)cccc3 -MOL_01_014247,O=C1CC(N12)CN=C2C(=O)N(C)Cc3ccccc3 -MOL_01_014248,Clc1ccc(cc1)C(=N)CC(NC(=N)C2CC2)c3ccc(Cl)cc3 -MOL_01_014249,CC(C)c1nnc(n1CCC)CCC(=O)Nc2cccc(n2)C -MOL_01_014250,CC(C)n1cc(nc1C)NC(=O)NC2CC(=O)N(C2)C(C)C -MOL_01_014251,Cn1ccc(c12)cc(cc2)NC(=N)CC3CCCC3 -MOL_01_014252,c1ccccc1C(CC)NC(=O)N2C(=O)CC2CCc3ccccn3 -MOL_01_014253,CCCC(O)c(n1)nc(c(c12)cccc2)Cc3ccc(C(C)O)cc3 -MOL_01_014254,c1cc(C=O)nc(c12)c(C)ccc2C(=C)O -MOL_01_014255,CC(C)Cc1ncccc1CNC(=O)C2CCCN(C2)C(=O)C3CC3 -MOL_01_014256,CCc1cc(Cl)ccc1C(N)NCC2CCCN(C2)Cc3ccccc3 -MOL_01_014257,Nc1ccccc1NC(N)c2ccc(nc2)N3CCNC(N)C3 -MOL_01_014258,Cc1ccccc1C(=O)c2cn(cn2)-c3cccc(c3)C(N)N -MOL_01_014259,Nc1ccc(cc1N)-c2ccc(nn2)C3CCC(O)CC3 -MOL_01_014260,Cc1ccc(cc1C)C(C2)CC23CCN(CC3)C(=O)Nc4onc(N)c4N -MOL_01_014261,Cc1cccc(C)c1CC(N)CCC(N)c2c(C)nn(C)c2Cl -MOL_01_014262,O=c1n(C)c(=O)cc(n1C)CC(=O)c2ccc(Cl)cc2 -MOL_01_014263,NCc1c(CN)ccc(c12)c3c(c(c2)N)CN(CC3)Cc4ccccc4 -MOL_01_014264,NOc1ccccc1C(CNO2)=C(c(c23)cccc3)c4ccc(cc4)ONCN(N)N -MOL_01_014265,c1ncncc1C(O)N(CC23CCCCC3)Cc4c(C2)cccc4 -MOL_01_014266,c1ccccc1C(N)CC(C)Cc2cc(ccc2N)-c3ccccc3 -MOL_01_014267,c1ccccc1CC2C(C)=C(C(C)=N)C(CC2=N)c3cccc(F)c3 -MOL_01_014268,NCn1cnnc1CCC(=O)N2CNCC(C2)c3ccc(Cl)cc3 -MOL_01_014269,CCc1cc(c(C)nc1C)CCC(=O)Nc2ccccc2C -MOL_01_014270,NCc1cccc(c1)CC(c(c2)ccc(c23)CCC3)Cc4ccc(c(c4)CN)-n5ccnc5 -MOL_01_014271,NC(N)CCC(C1N)(CCC)Cc(c12)cc(OCc3ccccc3)c(c2)OCc4ccccc4 -MOL_01_014272,CN(C)CC(C1O)CCc(c12)c(CN)ccc2Cl -MOL_01_014273,C=C(O)c1cc(ccc1C)C(=O)CCCn2ccc(c23)cccc3 -MOL_01_014274,NCC1CCCCC1Cc2cc(ccc2N)-c3ccccc3 -MOL_01_014275,CC(N)C(C)c1ccc(c(F)c1)-c2cc(CN)cc(c2)CN -MOL_01_014276,Cc(c1)ccc(c12)NC(N)C(=N2)CC(N)c3ccc(cc3)C4CCCCC4 -MOL_01_014277,NCCCc1nccn1-c2ccc(N)c(Cl)c2 -MOL_01_014278,c1cnccc1CNc2cnn(C)c2C(=N)Nc3ccc(cc3)Cc4ccccc4 -MOL_01_014279,CCc1ccc(cc1NC(=O)C)CNC2CCN(CC2)Cc3ccccc3 -MOL_01_014280,Cc1ccc(cc1)CN2CCCC(C2)C(=N)Nc3ccc(cc3)NC(=N)c4ccccn4 -MOL_01_014281,Cc(c1)ccn(c12)c(=N)c3c(n2)CCC3 -MOL_01_014282,CCCC(=O)CCC(=O)Nc1cccc(c1)CCc(n2)ccc(c23)cccc3 -MOL_01_014283,COc(c1)ccc(c12)c(ccc2)CCc3c(O)nc(O)nc3C(O)O -MOL_01_014284,c1cccc(c12)ccc(n2)C(N)OCC(N)C3CCC(CC3)c4ccccc4 -MOL_01_014285,CC(C)CCCCc1nc(C)c(C(=C)O)c(n1)Cc2ccccc2CN -MOL_01_014286,C=CC(N)CCCCCCCCn1cnc(c1)-c2ccc(N(C)C)cc2 -MOL_01_014287,C1CNCC1Cn2c(nnc2N)CCC(=O)Nc3cc(Cl)ccc3Cl -MOL_01_014288,CCCn1ccnc1-c2cccc(c2)CC(=N)C3CCCCC3 -MOL_01_014289,NNCC(=C)c1cc(cn1C)C(=C)n2ccc(Cl)c2 -MOL_01_014290,Cc1cccc(C)c1Cn2c(N)cc(c2C)C(N)NCc3ccc(CN)cc3 -MOL_01_014291,NCc(c1)c(CN)cc(c12)C=C(C2=O)CCc3ccccc3 -MOL_01_014292,Nc1ccccc1OCCC(N)CC(N)c2nnc(n23)CCCCC3 -MOL_01_014293,c1ccccc1CCCc2c(ON)c(ON)c(ON)c(c2)CCCc3ccccc3 -MOL_01_014294,Fc1ccc(cc1)C(C)CCCN2C(N)CCN2c3cccc(c3)CN -MOL_01_014295,c1cccc(c12)cc(N)c3c2n(nc3)CC(N)Nc4ccccc4Cl -MOL_01_014296,Cc1cnc(nc1)N(C2)CCN(C23)CC(C3)CCc4cccc(n4)C -MOL_01_014297,c1ccccc1NCC2CC(NC2=O)C(=O)Cc3ccc(cc3)CC4CNNC4 -MOL_01_014298,OC(O)c1ccc(cc1)NC(=C)CN(C(=C)N2)C(=C)C23CCCC3 -MOL_01_014299,c1ccccc1C(CNCN)(c2ccccc2)c3cccc(c3)CN -MOL_01_014300,O=c1ccccn1CC(=O)Nc2ccc(Cl)c(c2)CN3CCCCC3 -MOL_01_014301,Clc1ccc(Cl)cc1-n2nc(ccc2=O)CNCCN3CCCCC3 -MOL_01_014302,Fc1cc(ccn1)-c2cccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_014303,Cc1cc(C)nc(n1)-n2nc(C)cc2CC(=O)c3ccc(F)cc3 -MOL_01_014304,Nc1c(C)c(N)cc(c12)CCC(C2)C(C)C -MOL_01_014305,CCc1c(CC)cc(cc1CC)-c(c2CN)c(CN)c(N)c(c23)cccc3 -MOL_01_014306,CCCCc(c1C(=O)CC)ccc(c12)cc[n+]([O-])c2 -MOL_01_014307,c12cc(N)c(cc1)Oc3cc(cc(N)c3N)CCc4ccc(c(N)c4)c5c(CC2)cccc5N -MOL_01_014308,CCc1ccc(cc1)C(=O)N2CCN(C(=O)OC2)C(CC)Oc3ccccc3 -MOL_01_014309,C1CCc(c12)ccc(c2)C(C3)C(C)C(=C)c(c34)c(CN)c(CN)c(c4)CN -MOL_01_014310,c1ccccc1CC(C)C(=C)NCCCN2CCN(CC2)c3ccccc3CN -MOL_01_014311,CCc1ncccc1NC(=O)NCC(C)c2ccc(F)cc2F -MOL_01_014312,Cc1cccc(c1)Cc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_014313,Cc1cc(C)cc(c1)N(CCCN)C(=O)CCC(=O)CCc2c(C)cc(C)cc2C -MOL_01_014314,Clc1ccc(cc1Cl)C2CC(=O)CC(C)=C2C(=O)CCC3CCNN3 -MOL_01_014315,C1CCCCC1Cc2ccc(C)c(c2)NC(=O)Cn3ccnc3 -MOL_01_014316,CCCCCCOc1ccc(cc1CN)CC(=N)c2ccncc2 -MOL_01_014317,CC(C)CCc1cncc(n1)N(C)C2CCN(CC2)c3ncccn3 -MOL_01_014318,Cc1cc(nc(n1)C)C2CCN(C2)Cc3ccc(CN)cc3CN -MOL_01_014319,c1cccn1CCNC(=C)c2ccc(cc2)NC(=C)N(C3)Cc(c34)cccn4 -MOL_01_014320,CCC(=O)C(CC(=O)C)C(=O)c1c(F)ccc(c12)c(C(F)(F)F)c(cc2)CC -MOL_01_014321,NCc1c(CN)cc(cc1CN)C2CNC(=C)N2CC34CC5CC(C3)CC(C5)C4 -MOL_01_014322,Cn1cc(cn1)CNCCCc2cccc(c2)C3(CNC(O)C3)Cc4ccccc4 -MOL_01_014323,Cc1ccc(cc1)CCCNC(=N)c2cc(C)nc(c23)cccc3 -MOL_01_014324,CNC(N)CCc1cc(ccc1N)-c2ccccc2 -MOL_01_014325,Nc1ccccc1-n2ncc(c2N)C(N)NC(N)c3ccccc3 -MOL_01_014326,CCCC(=O)C1=C(C)C(CCCC(=O)C)C(=O)CC1c2ccccc2 -MOL_01_014327,CCC(C1)CCc(c12)cc(cc2N)CC(C)N -MOL_01_014328,CC(C)(C1)CCc(c12)cc(c(n2)N)CN -MOL_01_014329,Fc1ccc(F)cc1NC(N)CCC(=Nc(c23)cccc3)CC(=N2)c4ccc(F)cc4 -MOL_01_014330,CC(C)n1cc(cn1)CN2CCCC(C2)CNCc3cccc(c34)cccn4 -MOL_01_014331,CCC(O)c1nn(C)cc1CC(O)c2ccccc2Cl -MOL_01_014332,CC(=O)C(C)NC(=O)c1ccc(Cl)c(c1)CN -MOL_01_014333,CCCCCCCCCNC(C1N)=C(C)C(N)c(c12)cccc2 -MOL_01_014334,CC(C)CC(C=1)=Nc(c12)ccc3c2=CC(=N3)CC(N)c4cccc(c4)CN -MOL_01_014335,Cc1ncc(c(C)c1C)CCCC(O)Nc2ccccc2CN -MOL_01_014336,ClC(Cl)C(=O)NCC1CC(=O)N(C1)c2cc(Cl)c(c(Cl)c2)N3C=NCCC3 -MOL_01_014337,CCc1ccccc1CCC(=O)c(c2)cnc(c23)cncc3 -MOL_01_014338,CC(C)C(=O)Cc(n1)cc(c12)nn(nn2)CN -MOL_01_014339,C1CCN=C1CN(CC2)C(CN)c(c23)cccc3 -MOL_01_014340,c1ccccc1CC(C)Cc(c2)cc(c3c24)NCN3C(=O)NN4 -MOL_01_014341,Fc1cc(ccc1)NC(=N)N(CC2)CC23CCCN(C3)C(=N)c4cccc(F)c4 -MOL_01_014342,c1ccccc1C(c2ccccc2)C(N)NCNc3ccccc3 -MOL_01_014343,Cc1cccc(c1)NC(N)CCc2ccc(cc2N)CN(C3)CCc(c34)cccc4 -MOL_01_014344,Cc1ccc(c(N)c1)C(N)C2CCCc(c23)cccc3 -MOL_01_014345,CC(C)(C)C(C1)N=NC1(C)C(=O)Nc2ccc(CN)c(c2)C(C)(C)C -MOL_01_014346,NCc1cccc(c1)C(CC(=N2)N)=Nc(c23)ccc(c3)CCc4ccccn4 -MOL_01_014347,NCC(=O)C1=C(C)C(C)C(=O)CC1c2ccc(C)cc2 -MOL_01_014348,Cn1nc(N)c(c1N)CCc2c(Cl)cc(cc2Cl)-c3cccc(c3)C(=O)N -MOL_01_014349,CN(C)c1cccc(c1)CCC(N)c2ccc(Cl)nc2 -MOL_01_014350,NCc(c1)ccc(c12)nc(c(n2)CN)NC3CCCCC3 -MOL_01_014351,NN1CCN(CC1)CCc2ccc(cc2)C3=NCC(C34)CN(C4)Cc5ccccc5 -MOL_01_014352,CCc1cn(C)c(c1N)C(O)NCc2ccc(C)cc2 -MOL_01_014353,CN1CCN(CC1)CC(=N)Nc2ccc(cc2C(=N)c3ccccc3)NC(=N)CCc4ccccc4 -MOL_01_014354,NCc1ccc(cc1)NC(=N)N(CC2)CC23CCCN(C3)C(=N)c4cccc(F)c4 -MOL_01_014355,NCCCN(CCCN)c1c(C)cc(cc1C)CCc2ccccc2 -MOL_01_014356,c1cncn1Cc2n(C)c(cc2)C3CCN(CC3)C(O)C4(C)CC4 -MOL_01_014357,c1ccccc1NCC2CN(CCN2)Cc(n3)ccc(c34)cccc4 -MOL_01_014358,NCc(c1)c(CN)cc(c12)c(N)cc3c2C(N)c4c3cccc4 -MOL_01_014359,NC(N)(N)C(C1)C(C(=O)C)=Cc(c12)cc(F)c(c2)CCC(C)C -MOL_01_014360,c1cccc(n12)c(CN)cc2C(=N)C3CC3 -MOL_01_014361,c1ccnn1CCC(=O)/N=C/N2CCCc(c23)cccc3 -MOL_01_014362,Cc1ccc(C(N)O)c(C)c1CC(N)c2cc(cc(c23)cccc3)-c4cccc(c4)CO -MOL_01_014363,Fc1ccc(cc1)N2CCN(CC2)Cc3cc(N)c(cc3)CCC(N)NC4CCCC4 -MOL_01_014364,CC(=O)CCc1nc(nc(C)c1CN)-c2cccc(c23)cccc3 -MOL_01_014365,Cc1ccc(cc1N(C)C)NC(O)C2CCN(CC2)Cc3cn(cn3)C(C)C -MOL_01_014366,Nc(c1)ccc(CC2N)c1C23Cc4c(C3)cccc4 -MOL_01_014367,Cc(n1)nc(C)c(c12)nc(cc2)Cc3ccccc3CN -MOL_01_014368,Nc1cc(ON)c(cc1C)NC(=O)C2CCN(CC2)CC3CCCCCC3 -MOL_01_014369,CC(=O)NCC1CC(NO1)c2ccc(c(C)c2)-n3ccc(c3)CN -MOL_01_014370,CCc1cc(N)ccc1C2C=C(CC2)c3c(N)cccc3N -MOL_01_014371,Nc1cnn(c1)CCC(=N)N2CCCN(CC2)c3ccccc3CN -MOL_01_014372,C=C(C)c1ccc(c(c1)CN)Nc2ncc(C)c(n2)NC -MOL_01_014373,c1ccccc1C2(c3ccccc3)ONC(O2)C4CCCCN4 -MOL_01_014374,CC(=O)c1ccc(=O)n(c1)CC(=O)CCc2ccc(F)c(Cl)c2 -MOL_01_014375,Cn1cc(c(Cl)c1N)C(N)C2CC(C2)c3cccnc3 -MOL_01_014376,CC(=O)CCc1ccc(cc1)CN2CCCC(C2)c3nccnc3N -MOL_01_014377,CC(C)CC(O)Cn1nc(cc1O)C(c2ccccc2)c3ccccc3 -MOL_01_014378,Cc1cc(C(N)CN)ccc1NCc2cccc(Cl)c2 -MOL_01_014379,C1CCCN1C(=N)CN(C)C(=N)c2cccn2CCc3ccccc3 -MOL_01_014380,NC1=C(N)C(=N)c(c2C13CC3)cccc2 -MOL_01_014381,CCc1ccnc(c1)NC(=O)c2cc(Cl)cc(c2)Cc3cncnc3 -MOL_01_014382,c1ccccc1C(C(=N)NCC(C)=N)c2ccccc2 -MOL_01_014383,c1ccnc(c12)nc(nc2O)CCCCc3ccccc3Cl -MOL_01_014384,NCc1ccc(ON(F)F)c(c1)CC(N)Cc2ccc(cc2Cl)C3CCCCO3 -MOL_01_014385,CC(=O)c1cn(cn1)C(C(C)O)NNc2cccc(C(F)(F)F)c2 -MOL_01_014386,NC(O)C1CCC(CC1)CCc2nc(-c3ccccc3)cc(n2)-c4cccnc4 -MOL_01_014387,Nc1cccc(c12)C(C(N)CC2)C3CCCCC3 -MOL_01_014388,Cc1c(N)nc(CC(C)C)nc1Cc2c(N)cccc2N -MOL_01_014389,O=C1NCCN1CC(=O)N(C)CCCCc2ccccc2Cl -MOL_01_014390,Cc1cc(C)c(cc1C)C(=O)CCC(=O)CC(C(=O)C2)C(=O)C23CCCC3 -MOL_01_014391,C=C(O)c1cccc(c1)-n2ccc(c2)-c3cccc(c3)C(=O)C -MOL_01_014392,NCc1cc(cc(c1)CN)C(=C)CC(C)C(=C)NC2CCCc(c23)cccc3 -MOL_01_014393,c1ccncc1Cc2ccc(CN)c(c2)NC3CCCCC3 -MOL_01_014394,Nc1nc(nc(n1)C)-c2cc(C)cnc2Cc3cccnc3 -MOL_01_014395,C1CCc(c12)c3c(cc2O)cc(cc3)CCC(O)Cc4ccccn4 -MOL_01_014396,c1ccccc1COc(cc(c2)C(N)N)c(c23)C(N)c4c(C3N)cccc4OCc5ccccc5 -MOL_01_014397,C=NC(=O)C(C)(CN)CCc1ccc(cc1)-c2cccnc2 -MOL_01_014398,CCc1cccc(n1)CC(=O)c2cccc(c2)Cc3cccnc3 -MOL_01_014399,Nc1ccccc1Cn2ccc(n2)-c(c3)ccc(c34)ONO4 -MOL_01_014400,NCCCCc1ccc(cc1)CCc2ncnc(c23)cccc3 -MOL_01_014401,c1cc(F)cc(c12)cc(N)n2C(N)NCCCCc3ccccc3 -MOL_01_014402,Cc1c(Cl)cc(cc1C(C)O)-c2ccc(cc2)C(N)CN -MOL_01_014403,Nc1ccccc1C2CCC(CC2)C(N)Cc3ccccc3 -MOL_01_014404,Cc1cc(=O)c(CN)cn1CC(=O)N2CCN(CC2)c3ccc(Cl)cc3 -MOL_01_014405,CN(C)C(=O)Cc1c(C)n(ccc1=O)-c2ccc(cc2)CC(=O)N(C)C -MOL_01_014406,Cc(n1)nnc(c12)cc(cc2N)-c3c(N)cccc3N -MOL_01_014407,Cc1cccnc1C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCCC4 -MOL_01_014408,Cc1cc(C(O)O)c(O)c(c1)C(O)CCc2ccc(cc2)OCc(n3)ccc(c34)cccc4 -MOL_01_014409,c1ccccc1C(c2ccccn2)C(=N)c3ccccc3N -MOL_01_014410,CCc1ccc(cc1CC)CN(C)C(N)c2cccnc2NCc3ccncc3 -MOL_01_014411,CN1CCN(CC1)C(=C)c2cccc(c2)CN3CCN(CC3)C(=C)n4nnc(c45)cccc5 -MOL_01_014412,Nc1ccc(cc1N)N(C)Cc(c(n2)N)cc(c23)cccc3 -MOL_01_014413,C=1C=NC(C12)=CC(=C2C)C(C)NC(=O)Nc3cccc(Cl)c3 -MOL_01_014414,N=C(N)c1ccc(cc1)CC(C2N)(Cc(c23)cccc3)C(C4)=Cc(c45)cccc5 -MOL_01_014415,Cc1ccc(o1)C(=O)OCC(=O)Nc2cccc(c2)CN3CCCCC3 -MOL_01_014416,NC(O)c1ccc(nc1)C(N)Cc(c2)cc(c3c24)CCCC3CCC4 -MOL_01_014417,CCCc1nc(C)c(n12)cnnc2CCC(O)OCC -MOL_01_014418,O=C1CC(=O)C(C1)N(C2CC2)C(=O)c(c3)ccc(c34)CCC4 -MOL_01_014419,NCCCCCCCn1cnc(c1)C(N)C(N)c2ccc(Cl)cc2Cl -MOL_01_014420,C=C(N=1)C=c(c12)c(ccc2C)CCNCCc3ccc(cc3)CNCCc4ccccc4CN -MOL_01_014421,N=C1NCCCN(C1CC(F)(F)F)C(=N)CC(N)Cc2cc(F)c(F)cc2F -MOL_01_014422,FC(F)(F)c1ccccc1CC2(C(=O)CN)CC(=O)CC2c3ccccc3 -MOL_01_014423,C1CCCCc(c12)cc(cc2N)C(=O)CCC3CC3 -MOL_01_014424,Cc1cccc(c1)CNC(N)c2cc(N)n(c2C)Cc3ccccc3C -MOL_01_014425,ClCC(N)Nc1cc(cc(C(F)(F)F)c1)C(N)Nc2cccnc2Cl -MOL_01_014426,CCCC1=C(CN)C(CC(=O)C1)c2ccccc2CCC -MOL_01_014427,Clc(c1)c(Cl)cc(c12)C(=NCC(C2)=N)c3ccccc3N -MOL_01_014428,CCCc1cc(C)nc(c1CN)CCC(N)Cc2ccccc2 -MOL_01_014429,c1cccc(c12)ccc(c2)C(N)NC3CCCN(C3)Cc(c4)ccc(c45)CCC5 -MOL_01_014430,NCc1c(CN)cc(cc1CN)C(O)c(c2)cnc(c23)cccc3 -MOL_01_014431,Cc1ccc(C)c(c1)CCCC(=O)CCC(=O)Nc2cccnc2F -MOL_01_014432,NC1NCCN(CC2CC2)C13CCN(CC3)Cc(c4)ccc(c45)CCC5 -MOL_01_014433,c1ccccc1CCN(C(=C)CN)Cc(c(n2)C)cc(c23)ccc(c3)CN -MOL_01_014434,Nc1ccc(c(Cl)c1)C2N=CCC2c3c(Cl)cc(N)cc3Cl -MOL_01_014435,Cc1cc(N)cc(c12)cc(cc2)Cc3ccc(cn3)CC(N)C(C)(C)C -MOL_01_014436,NCc1ccccc1N2CCCN(CC2)CC(N)Nc3ccccc3Cl -MOL_01_014437,C1CCCCCN1Cc2cc(ccc2C)NC(=N)CCc3ccccc3C(=N)N -MOL_01_014438,CC(C)(C)CCNC(N)c(n1)ccc(c12)cc(cc2)Cc3ccc(C(F)(F)F)cn3 -MOL_01_014439,OC1CCCC(C1)c2nccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_014440,CCC(=O)Cc1cc(c(F)cc1Cl)C(C2=O)C(=O)C(=C23)CCCC3 -MOL_01_014441,c1cncn1CC(C(=N)CCC(C)C)NC(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_014442,COc1ccc(C)cc1-c2ccc(o2)C(O)CC(C)C -MOL_01_014443,CCc1nnc(n12)CC(CN)C(=N2)c3ccccc3 -MOL_01_014444,c1cccc(c12)c(N)n(c2)C(N)Cc3ccc(cc3)-c4ccccc4 -MOL_01_014445,C=C(O)c1nccn1CC(CCN)CC(=O)c2ccc(cc2)NC(=O)C(F)(F)F -MOL_01_014446,ClN1N=NC(=NN1Cl)C(=O)NC(N=N2)=NN(N23)CCCC3 -MOL_01_014447,CC(=O)Oc(c(c1)C(=O)O)cc(c12)C=C2 -MOL_01_014448,Cc1ccc(C(C)O)cc1/N=C/c(c2)ccc(c23)n(C)c(c3)O -MOL_01_014449,NCc1c(C)ncc(c12)Cc3c(N2)cccc3 -MOL_01_014450,CC1=NC(C)=NC(N12)=NCC(C2)C(=N)c(c3)ccc(c34)cc(C)cc4 -MOL_01_014451,O=C(C)c(c1C)c(C)c(C=O)c(c12)CC(N=N2)(C)C -MOL_01_014452,CCCn1ccnc1CNC(=O)C(C2)CCc(c23)cc(cc3)CN -MOL_01_014453,CC(N)Cc(c1)ccc(c12)cc(c(C)c2N)-c3cccc(C(F)(F)F)c3 -MOL_01_014454,CNC(O)c1cc(ccc1C)Nc2ncnc(n2)N3CC(C3)Cc4ccc(Cl)cc4 -MOL_01_014455,Fc1ccc(cc1)CC(=N)CCC(N)c(n2)nc(O)c(c23)cccc3 -MOL_01_014456,CCN(CC)C(N)c1ccc(cc1)C2(c3cccc(N)c3)CCCN(C2)CC4CC4 -MOL_01_014457,CCc1ccccc1CC(=O)CCC2=NC(=O)C(C(=O)C2)Nc3ccccc3 -MOL_01_014458,CC(C)CC(C(=O)C)NCc(c1)ccc(c12)nc(C)c(n2)C -MOL_01_014459,CC(C)(C)NC(=O)C1=CC(=NCN1C)c(c2)ccc(c23)CCC3 -MOL_01_014460,CC(N)c1ccc(cc1)C2CCC(CC2)Cc3cc(C(C)N)ccc3O -MOL_01_014461,CCC(O)C(C)(C)CC(O)c1cccc(n1)-c2cccc(F)c2 -MOL_01_014462,c1cccc(n2C)c1c3c(c(N)nnc4N)c4c(c5c23)c6c(n5C)cccc6 -MOL_01_014463,Cc1cccnc1CC(O)CCn2c(O)cc(c23)cccc3 -MOL_01_014464,CC(C)(C)CN(CC1(C)C)C(=O)C1Cc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_014465,Nc1ccc(cc1)C(C2)C=Cc(c23)cc(cn3)N -MOL_01_014466,NCC(=C1)C(=C)C=C(C12CN)c3c(C2)cccc3 -MOL_01_014467,c1cccc(c12)cnn(c2=O)CC(=O)Cc3cccc(C(F)(F)F)c3 -MOL_01_014468,CCC(=O)CCCCN(CC1)CCC1(C(=O)CC)N(C(=O)CC)c2ccccc2 -MOL_01_014469,C1CC1c2ncc(cn2)C(C)N3CCCC(C3)c4nccnc4N -MOL_01_014470,Cc1nn(C)c(C)c1CCc2ccc(nc2)NCc3ccn(n3)C -MOL_01_014471,Nc1ccc(cc1)C2CC(=N)N=C(C2)c(c3)ccc(c34)nccc4 -MOL_01_014472,CCN(CC)CCCOc(c1N)c(cc(c12)cccc2)-c3ccc(ON)c(c3)ON -MOL_01_014473,NCCCc1cc(ccnc2N)c2c(c13)cc(Cl)cc3 -MOL_01_014474,CCc1ccc(cc1CC)CN2CCNC(=C)C2CC(=C)N3CCCN(C(=C)N)CC3 -MOL_01_014475,c1ccccc1C2CC(=NC(=N)C2C(=N)OCC)CCCCc3ccccc3 -MOL_01_014476,Nc1cccc(c1N)CCCCC(O)CCC(O)C2CC2 -MOL_01_014477,Fc1ccc(cc1)C(=N)N(C2)CCN(C23)CC(C3)CCc4ccccn4 -MOL_01_014478,c1ccccc1CC(C(=N)CC)NCC(=N)Nc2cccc(Cl)c2C -MOL_01_014479,C=C(O)c(c1)ccc(c12)ncnc2Cc3ccc(CN)cc3 -MOL_01_014480,c1ccccc1CC(C(=O)CC(C)(C)C)NCc2ccccc2CN -MOL_01_014481,NCCCC1(C)N=C(CCCCN)N(C1=N)c2ccccc2 -MOL_01_014482,Cc1cccc(n1)NC(=O)CCc2cccn2-c3cccc(c3)CN -MOL_01_014483,Cc(c1)cc(C)c(c12)cc(c(n2)N)CN -MOL_01_014484,C1CCOC1CC(=N)Cc(c2)ccc(c23)n(cc3)CCC4CCOCC4 -MOL_01_014485,Cc1ccccc1-c2nnc(C)n2CCON -MOL_01_014486,Nc1ccc(cc1)C(=O)N2C(=C)N(C(=C2)N)c3ccccc3 -MOL_01_014487,C=C(O)c1cnc(C)n1CC(C)CN2CCN(CC2)c3ccccc3 -MOL_01_014488,Nc1cccc(c1)Nc(nc(c23)cccc3)c(n2)Cc4ccccc4 -MOL_01_014489,NCc1cc(ccc1N)CC(N)Cc2ccc(Cl)c(Cl)c2 -MOL_01_014490,c1ccccc1C(C(=N)N)(c2ccccc2)CC(N)n3ccnc3N -MOL_01_014491,NOC(N)c1ccc(cc1)Cc(n2)nc(c(c23)cccc3)CCc4ccccc4 -MOL_01_014492,C1CCCC1n2nc(C)c(c2C)CN(C)C(N)c3ccc(Cl)cc3 -MOL_01_014493,Cc1ccc(cc1)C(=O)Nc(n2)cn(c23)c(C)cc(n3)C -MOL_01_014494,Nc1ccc(cn1)C(N)C2CCC(CC2)Cc3cccc(C(F)(F)F)c3 -MOL_01_014495,CC(=O)c1cn(cn1)-c2ccc(c(c2)CN)CCCCCN -MOL_01_014496,c1cccc(c1C23N)C(N=N2)c4c(C3)cccc4 -MOL_01_014497,c1cnccc1C(O)N(CCC2)CC23CCCCN(C3)c4cncnc4 -MOL_01_014498,NCc1ccccc1CC(=C)c2ccc(C)c(c2C)CN3CCCC(N)C3 -MOL_01_014499,CCc1ccc(cc1)C(=N)Nc2c(C)nc(nc2N)CCC(=N)c3ccccc3 -MOL_01_014500,Cc1nn(C)c(C)c1NCc2c(Cl)cc(cc2Cl)-c3cccc(c3)C(=O)N -MOL_01_014501,CC(N)Nc1ccccc1CCC(O)CNC2CCN(CC2)Cc3ccc(Cl)cc3 -MOL_01_014502,C1CCc(c12)cc(C(=O)C)c(c2)CC(=O)C3CN=NCC3C(=O)C -MOL_01_014503,Cc1ccc(cc1)NC(=O)C(C2=O)Cc(c23)cc(CN)c(c3)CN -MOL_01_014504,Cc1cnc(C)c(c1)C(O)Nc2cccc(c23)cccn3 -MOL_01_014505,CC(C)C(O)n1ccnc1Cc2ccc(cc2)-c3cccc(c3)C(O)CN -MOL_01_014506,Cc1cccc(c1C)N(CN)CC(O)Nc2cccc(Cl)c2C -MOL_01_014507,c1cccc(c12)cc(N)c3c2n(nc3)CC(N)Nc4ccc(F)c(F)c4 -MOL_01_014508,c1ccccc1C2(C(O)N=C(N)C2)c3ccccc3 -MOL_01_014509,c1cccc(c12)nc(C(O)CCC)c(n2)Cc3ccc(F)cc3 -MOL_01_014510,Cc1ccc(cc1)CNC(N)c2ncn(c2C)CC(N)Nc3cc(C)cc(C)c3 -MOL_01_014511,c1cccc(c12)CN(C2=N)C(CC(C)C)C(=N)NCCc3ccccc3 -MOL_01_014512,CC(C)CC(=O)N(CC1)CCC12CC(C2)CCCCc3ccc(cn3)C(=O)NC4CC4 -MOL_01_014513,Cc1c(C=O)cc(cc1C(N)(N)N)-c2cccnc2 -MOL_01_014514,Clc1ccc(cc1)C(=NC2(C)C)C(=N2)CCC(=O)Nc3ccc(Cl)cc3 -MOL_01_014515,NCc1ccc(cc1CN)CCCc2cc(N)c(Cl)cc2C(=O)CCCCN3CCCCC3 -MOL_01_014516,Clc1c(Cl)cccc1C(N)N2CCN(C(N)C2)c3ccc(F)cc3Cl -MOL_01_014517,n1cccc(c12)ccc(c2C)C(NC(=O)C)c3cccc(c3)CN -MOL_01_014518,CC(N=1)=NC(=O)C(C12)=NC(=C2)Nc3ccc(F)cc3 -MOL_01_014519,CC(C)(C)CC(=C)NC(C(=C)N(C)CCN)Cc1ccccc1 -MOL_01_014520,CNC(=O)NC(=O)CN1CCCC(C1)Cc2ccccc2CN -MOL_01_014521,NOc1cc(ccc1O)CC2CCCC(C2N)Cc3ccc(O)c(c3)ON -MOL_01_014522,Cc1ccc(OCC(=O)O)c(c1)CCc2cccnc2 -MOL_01_014523,Clc1cc(cc(Cl)c1)C(C)(C)C(=N)NC(c2ccccc2)C(=N)NCCN3CCOCC3 -MOL_01_014524,NCc1cnc(cc1O)C(O)N2CCN(CC2)c3ccc(Cl)cc3 -MOL_01_014525,CC(=O)N1CC(C(C1)C2CC2)NCc3cc(C)ccc3CN -MOL_01_014526,NN(C12)C(CC1)N=C(C2)c3cccc(c34)cccc4 -MOL_01_014527,NCc1cccc(c1)Cc(nc2)cc(n23)nc4c3cccc4 -MOL_01_014528,C1CCCCC1(CN)CC(O)c(c(O)c2)cc(c23)cccc3 -MOL_01_014529,Clc1ccc(cc1)OCC(N)Cc2ccc(Cl)cc2C(N)c3ccccc3 -MOL_01_014530,CCCC(=O)CCc1ccc(N)c(C(=O)C)c1N -MOL_01_014531,NCCCC(O)c1c(N)nn(c1Cl)Cc2ccccc2 -MOL_01_014532,Fc1cc(Cl)ccc1C(C)(c2cccnc2)c3cnc(nc3)CC(N)N -MOL_01_014533,CN1CCN(CC1)c2cc(C(=C)N)c(cc2)NCc3ccccc3 -MOL_01_014534,CC(=O)c1cnc(N2CCCC2)nc1CCc3ccc(F)cc3 -MOL_01_014535,CC(=N1)CCCC1(N)c2cccc(c2)CC(N)c3ccc(Cl)cn3 -MOL_01_014536,CC(=O)Nc1cc(c(CN)cc1CN)CN(C)c2ccccc2 -MOL_01_014537,c1ccccc1CN(C2)C(=N)CC3N=NCc(c3c24)ccc4 -MOL_01_014538,c1cccc(c12)c(nnc2N)CC(N)Cc3ccccc3 -MOL_01_014539,Fc(c1)ccc(c12)CN(C2)C(N)Nc3ccc(cc3)C(N)N4CCN(CC4)c5ccccc5 -MOL_01_014540,NC(N)CNC(=C)c1cccc(c1)NC(=C)C(N)Cc2ccccc2 -MOL_01_014541,C=C(O)c1cc(C)c(cc1Cl)CC2=C(O)C(O)=C2Cc3ccccc3 -MOL_01_014542,Oc1ccc(cc1)CCC(=O)OC(C)C2C(=O)N=C2CC(=O)OCc3ccccc3 -MOL_01_014543,CC(=O)Cn1ccc(n1)CC(=O)C2(CCC2)c3cccc(F)c3 -MOL_01_014544,c1cccc(c12)c(N)ccc2-c(c3N)c(N)cc(c34)oc(=O)cc4-c5ccccc5 -MOL_01_014545,c1cncnc1NC(N)c2ccc(cc2)NC(N)N(C3)Cc(c34)cccc4 -MOL_01_014546,N=C(N)c1ccccc1CCCCN2CCN(CC2)c3ccccc3 -MOL_01_014547,C1C(C2)CC(C3)CC1CC23C(C)NC(=O)CCC(=O)C4CCCN4Cc5ccccc5F -MOL_01_014548,Cc1ccc(cc1)C(=C)NCc2nc(C)c(CN)c(n2)Cc3cccc(c34)cccc4 -MOL_01_014549,Nc1ccc(cc1)C(=O)NC(N)c(c2)ccc(c23)cccc3 -MOL_01_014550,Cc(c1)ccc(c12)CCC(=C)C2CC(=C)CC(NN(C)C)C(=C)CC3NNNN3 -MOL_01_014551,C1CCCCC1(CN)CC(O)CCc(c2)ccc(c23)ccc(c3)O -MOL_01_014552,CCCc1cc(N)cc(c12)cc(c(Cl)c2)CC(C)C(N)NCc3ccccn3 -MOL_01_014553,Cc1cccnc1CC(N)C(N=2)=NC(C23)=CC=C3 -MOL_01_014554,Cc1nc(N)nc(c12)NCC(N2)CN(C)C -MOL_01_014555,c1cccc(c12)c(nnc2O)OC(O)CCOc(c3)ccc(c34)CCCC4 -MOL_01_014556,C=C(N)CC(CN)NC(=C)C1CCCN1Cc2ccc(cc2Cl)-c3ccc(Cl)cc3 -MOL_01_014557,Clc1ccc(cc1)C(=N)Cn(c2=N)cnc(c23)cccc3 -MOL_01_014558,C1CCCCC1(C)c2cn(cn2)-c3ccc(cc3)CC(=O)CN -MOL_01_014559,Fc1ccc(cc1)C(=O)N2CNC(NC2)N3C(=O)NNc(c34)cccc4 -MOL_01_014560,NCc1ccc(Cl)c(CC(=O)C2)c1C23CCCCC3 -MOL_01_014561,NC(N)(N)c1cccc(c1N)CC2CCCC2=O -MOL_01_014562,Cc1ccccc1CC(=O)c(c2=O)cnc(n23)cccc3 -MOL_01_014563,CCc1ccc(cc1)CC(=O)CCC2CC(=O)CC2CN3CCN(CC3)c4ccccc4 -MOL_01_014564,Cc1cc(C)cc(c1)CC(O)C(O)CCC2CCCC2 -MOL_01_014565,c1cccc(c2=N)c1nc(n23)c4c(c(Cl)c3)cccc4 -MOL_01_014566,COC1CCC(CC1)C(N)Cc2cc(ccn2)-c3ccnc(c3)Cc4ccccc4 -MOL_01_014567,c1ccccc1-c2ccc(N)c(c2)NC(N)c3ccc(cc3)CNC(N)Cc4ccccn4 -MOL_01_014568,c1cncn1-c2ccc(cc2)C(C)NC(O)c3c(F)cccc3Cl -MOL_01_014569,O=c1ccc(nn1C)C(=O)C(CC)CC(=O)Cc2c(F)cccc2F -MOL_01_014570,CC(=O)Nc1ccc(cc1)NC(=O)c2nc(ncc2Cl)CCc3ccccc3C -MOL_01_014571,C1CCc(c12)ccc(c2)CNC(=C)C3CCCN(C3)Cc4c(C)nc(C)nc4C -MOL_01_014572,Cc1ccnc(c1)NC(N)c2ccc(Cl)c(c2)NC(N)c3ccccc3C -MOL_01_014573,NCc1ccccc1C2C=CN(C=C2C(N)CN)Cc3ccccc3 -MOL_01_014574,c1ccccc1C2(N)CCN(CC2)CC(N)COc3ccccc3C(N)CCc4ccccc4 -MOL_01_014575,CC(C)N1CNC(NC1)Cc2cc(ccc2CC)C(=O)CC3NNNCCC3=O -MOL_01_014576,NCc(c1)c(C)cc(c12)C(C)N(CC2)Cc3cccc(C)c3CN -MOL_01_014577,c1ccnc(c12)cc(nc2C)C3CCN(CC3)C(N)CC4CCCC4 -MOL_01_014578,c1cccc(c12)nc(nc2C)CN3CCN(CC3)C(=O)C4CCCC4 -MOL_01_014579,CN(C)c1cccc(c1)-c2ccccc2C(=N)CCC3NCCCN3 -MOL_01_014580,CCn1ccnc1C2CCC(CC2)C(=N)C(C)c3ccc(Cl)cc3 -MOL_01_014581,NC1C(N)C(C)=Cc(c12)ccc3c2CC(C)(C)CC3 -MOL_01_014582,c1cccc(c12)cc(c(c2)ON)CC(=N)CC3CCN(CC3)Cc4ccccc4 -MOL_01_014583,O=C(C)c1cccc(c12)c3c(C2)cc(N)cc3 -MOL_01_014584,Cn1ncc(Cl)c1C(O)N2CCN(CC2)c3ccc(Cl)c(Cl)c3 -MOL_01_014585,C=C(C)CC1CC(C(=C)C)Cc(c12)cc(N)cc2N -MOL_01_014586,NCOCNC(=C)C1(N)CCCN(C1)Cc2ccc(N)c(c23)cccc3 -MOL_01_014587,c1cccc(c12)C(N)N(C2N)Cc3ccc(cc3)CCN4CCN(CC4)c5ccc(Cl)cc5 -MOL_01_014588,Cc1ccccc1CN(C2)CC(CCC3)C23C(=N)NCc4ccccn4 -MOL_01_014589,CC(O)Nc1cccc(c1)NC(O)c2cccc(c23)cccn3 -MOL_01_014590,CCCCNC(=C)c1nc(C)c(C)nc1C(=C)Nc2cc(C)ccc2C -MOL_01_014591,Oc1ccc(cc1)C(N)CCNC23CC4CC(C2)CC(C4)C3 -MOL_01_014592,C=C(O)c1cccc(c1)C2CC(=O)CC(C)=C2C(=O)CN -MOL_01_014593,CCc(c1)ccc(c12)c(cc(c2)N)CN3CCC(CC3)C(N)OC -MOL_01_014594,NCCCCCc1cccc(c1)NC(N)N2CCCC2c3ccncc3 -MOL_01_014595,c1ccccc1CC(=N)CC(=N)CCc(c(n2)N)nc(c23)cccc3 -MOL_01_014596,NCc1ncc(cc1)C(C)C(=O)c2cccnc2CCCCN -MOL_01_014597,Cc1ccc(cc1)CNC(=N)CCCc2nc(oc2C)-c3ccc(Cl)cc3 -MOL_01_014598,CCC(=N)N1CCN(CC1)c2ccccc2NC(=N)Cc3ccccc3 -MOL_01_014599,c1ccccc1C2(C(=N)OCC)CCN(CC2)CCCNc3ccccc3 -MOL_01_014600,NC(O)c1ccc(Cl)cc1CC(N)c2ccc(cc2)-c3ccccc3 -MOL_01_014601,CCCCCC(N)Nc1cc(Cl)ccc1C(C)N -MOL_01_014602,CC(=O)c1cn(cc(C)c1=O)Cc2ccc(cc2)-c3cccnc3 -MOL_01_014603,COc1ccccc1C(=N)NCC(=N)NCCC(c2ccccc2)c3ccccc3 -MOL_01_014604,NC(N)C1CCN(CC1)C(N)c2cc(C)c(cc2)CCc3cccc(Cl)c3 -MOL_01_014605,Cc1cc(O)c(CC(C)N)cc1CN -MOL_01_014606,Cc1ncc(c(n1)N)CC(N)N2CCCC(C2)COc3ccc(F)cc3 -MOL_01_014607,Cc1ccc(N)c(C)c1Nc2ccccc2C(=O)NCCc3ccccc3 -MOL_01_014608,FC(F)(F)c1ccnc(c1)NC(N)c2cc(F)cc(c2)Cc3cncnc3 -MOL_01_014609,CCc1ccc(c(c1CC)CCC(=O)C)C(=O)Nc2c(Cl)cncc2Cl -MOL_01_014610,Nc1cccc(c1)C(O)CCC(O)CC2CCCCCCC2 -MOL_01_014611,C1CCCC1CCCN(C)C(=N)CC2C(=N)NCCN2Cc3cccc(F)c3F -MOL_01_014612,Cc(n1)c(C)nc(c12)ccc(c2)C(N)C(C3)CCc(c34)cccc4 -MOL_01_014613,c1cccn1C(N)(N)C(=O)N2COOC(C2)CCc3cccnc3 -MOL_01_014614,CCc1cccc(c1)C(=O)Cc2ccc(C(N)(N)N)n(C)c2=O -MOL_01_014615,CCc(c1)c(C(=C)O)cc(c12)CC(NN2)CCC(C)C -MOL_01_014616,Cc1cccc(c1)C2CC(=O)C(C(=O)C2)CNc3ccccc3 -MOL_01_014617,NCCCCNC(Cl)c1cc(F)c(cc1F)CCC(C23)(CN)C4CC(C2)CC(C3)C4 -MOL_01_014618,Cc1ccc(cc1)C(=O)CCC(N=2)=NC(C23)N=c4c(=N3)cccc4 -MOL_01_014619,NCC(=O)c1ccccc1NC(=O)CN(CN)C2CCCCC2 -MOL_01_014620,Cc1cc(C)c(c(c1)C(C)C)C(C2N)C(N)C(=C23)CCCCC3 -MOL_01_014621,Clc1ccc(cc1)C(=N)c2n(C)c(nc2)CCCCN3CCCCC3 -MOL_01_014622,CCOc1ccccc1C(C2=NCCC2)C(=N)Cc3ccc(Cl)cc3 -MOL_01_014623,Clc1ccccc1CC(=N)c2cccc(n2)-c3cncnc3 -MOL_01_014624,C=C(O)c(n1)cn(c12)nnc3c2nnnn3 -MOL_01_014625,CNC(N)c1cccc(c1)Nc2ncnc(n2)N3CC(C3)Cc4ccc(Cl)c(F)c4 -MOL_01_014626,NCCCC(N)c1cc(NC)c(cc1)NC2CCN(CC2)CC(c3ccccc3)c4ccccc4 -MOL_01_014627,NCc1c(Cl)cccc1CCCCNC(N)c2c(Cl)cccc2Cl -MOL_01_014628,C=C(N)c1ccc(nc1)N2CCC(CC2)CC(=C)N3CCN(CC3)C4CC4 -MOL_01_014629,C1CCCC(C(=O)C)=C1CC(=O)C(N)Cc2cnn(c2)-c3ccc(C)cn3 -MOL_01_014630,CN1CCN(CC1)C(N)N2CC(C2)CC(c3ccc(Cl)cc3)c4cccnc4Cl -MOL_01_014631,NCC(=O)C(=C1C)N(C)Cc(c12)cccc2 -MOL_01_014632,NCc1ccc(cc1F)CC(O)N2CCCC(C2)n3cccn3 -MOL_01_014633,Cc1ccc(cc1)C2(CCC(N)(N)CC2)c3ccccc3N -MOL_01_014634,CCCC(=O)C1=C(C)NC(C)=C(C(=O)CCC)C1C(C)c2ccccc2 -MOL_01_014635,CC1CCC(CC1)Cc2ncc(Cl)c(n2)Cc3ccc(F)cc3C(=O)N -MOL_01_014636,CCCCN(C)CCNC(N)Cn1ncc(c12)c(N)cc3c2cc(C)cc3 -MOL_01_014637,CC(=O)NC(C)c1ccc(cc1)CC2CN(C2)c3ccnc(c3)Cc4cncnc4 -MOL_01_014638,NCC(=O)C1=C(C)CC(C)=C(C(=O)CN)C1c2ccccc2Cl -MOL_01_014639,NCc1cc(CN)ccc1CC(=C)N2CCCC2Cn3cc(C)cn3 -MOL_01_014640,CCc1cccc(c1)C(=O)Nc2ccc(c(c2)CN)Cc3ccc(O)cc3 -MOL_01_014641,NCc1ccc(cc1)CN(C(N)N)C(=O)n2cnc(n2)CC(CC34)C(C3)CC4 -MOL_01_014642,Fc1ccc(cc1)NCc2cc(ccc2)C(=O)NCc3ccccc3CN4CCCC4 -MOL_01_014643,C=C(O)c1cnc(N)n1CC(C)CC2CCC(CC2)c3ccccc3F -MOL_01_014644,Clc(c1)c(Cl)cc(c12)nc3c(n2)NNCC3 -MOL_01_014645,Cc1ccc(cc1)CN(CNCN2)CC2(C)CCC(=O)c3cnccn3 -MOL_01_014646,c1ccccc1-c2ccc(N)c(c2)C(N)c3cc(ccc3N)-c4ccccc4 -MOL_01_014647,Clc1cc(Cl)ccc1CC(C)C(=N)NC(C)c2ccc(N)cc2 -MOL_01_014648,C=C(O)c(c1)ccc(c12)ncc(n2)Cc(c3)ccc(c34)CCCC4 -MOL_01_014649,Cc1ccc(cc1)ONc(n(N)c2=O)nc(c23)ccc(c3)C -MOL_01_014650,CCc1cccc(c1)CC(N)CCc2ccccc2N -MOL_01_014651,FC(F)(F)c1ccc(cc1)NC(=N)N2CCN(CC2)c3cccc(c34)cccc4 -MOL_01_014652,Cc(c1)ccc(c12)C(C(=C(C2)N)CN)c3ccc(CN)c(c3)CN -MOL_01_014653,Cc(n1)cc(C)n(c12)cc(n2)NCc3ccc(CN)cc3 -MOL_01_014654,Cc1ccc(cc1)CCNC(=N)C2CCC(=N)N2CCc3ccccc3 -MOL_01_014655,c1ccccc1Nc2ccc(cn2)CN3CCON(C3)c4ccccc4 -MOL_01_014656,C1CCc(c12)ccc(c2)NC(O)Nc3cnn(c3)C4CCCCC4 -MOL_01_014657,Cc1ccc(cc1C)-c2cc(C(=O)N)c(C)nn2 -MOL_01_014658,c1ccncc1CC(C)CNC(=O)c2cccnc2CN -MOL_01_014659,C=CC(O)C1C=C(CC1)c2nnc(F)c(n2)C(F)(F)F -MOL_01_014660,O=C1C=C(CCC1)c2cccc(n2)-c3ccccn3 -MOL_01_014661,Cc1cc(=O)n(C)c(n1)CCc2ccc(C(N)(N)N)cc2 -MOL_01_014662,Cc(c1)ccc(c12)CN(C2)C(=N)Nc3ccc(cc3)C(=N)NC(C(=N)N)c4ccccc4 -MOL_01_014663,C1CC1NC(O)CCc2n(CN)c(cc2)-c3ccncc3 -MOL_01_014664,c1cccc(c12)c(C)n(c2)-c3ccc(cc3)CNc4ccc(CN)cc4 -MOL_01_014665,C1CCCCC1NC(=O)C(C(C)C)CC(=O)c2ccc(Cl)nc2 -MOL_01_014666,c1ccccc1CCc2nnc(CC3CCCC3)n2-c4ccccn4 -MOL_01_014667,CCc1ccccc1NC(=N)C2CCCN2C(=N)Nc3ccc(C)cc3 -MOL_01_014668,CC(=O)Cc(c1)ccc(c12)cc3c(n2)cc(cc3)CC(=O)CCCN -MOL_01_014669,Cc1ccc(Cl)c(c1)N2CCN(CC2)CCN(C(=N)C3)C(=N)CC34CCCC4 -MOL_01_014670,c1cccc(c12)ccc(c2)CC(C(=N)O)NC(=N)c3ccc(N)c(c3)OCc4ccc(Cl)cc4 -MOL_01_014671,Cc1cc(C)c(c(n1)O)CCC(O)C2CCC(CC2)c3cnccn3 -MOL_01_014672,COc1ccc(c(c1)OC)NC(=O)CC2CC(NC2=O)Nc3ccccc3 -MOL_01_014673,Clc1ccc(cc1)C(=NC2(C)C)C(=N2)CCC(=O)Nc3ccccc3 -MOL_01_014674,NCc1ncc(cn1)C(N)N(CCC2)CCC23C=Cc4c(C3)cccc4 -MOL_01_014675,CCN1CCCC1CNC(=O)c2c(C)c(CCF)cc(CN)c2CN -MOL_01_014676,COc1ccc(cc1OC)-c(c2)cc(N)c(c23)cc(cc3)CN(C)C -MOL_01_014677,NC(N)c1cnc(n12)c(ncc2)C3CCCCC3 -MOL_01_014678,CCc1ccc(N)c(n12)cnc2CCN -MOL_01_014679,C1CCc(c12)ccc(c2)C(=N)N3CCC(CC3)Nc4ccc(N)nn4 -MOL_01_014680,c1cnncc1C(=O)N(CC2)CC23CCC(C3)Cc4ncccc4F -MOL_01_014681,C1CC1NC(=C)c2ccc(cc2)CNc3ncc(CN)cc3Cl -MOL_01_014682,c1cccc(c12)C(N)c3c(C2N)c(NCCCCN)ccc3NCCCN(C)C -MOL_01_014683,NCc1ccc(cc1)CCNC(=N)C2CCCN2C(=N)Nc3cccc(c3)CN -MOL_01_014684,Cc1cccc(c1)CCc2ccc(nc2)C(=O)NC3CCC3 -MOL_01_014685,CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)CCC(=O)c2ccccc2 -MOL_01_014686,c1ccc(c2c13)C=C(C(=N)c2ccc3)Nc4ccc(CN)cc4 -MOL_01_014687,c1cccc(c12)c(N)n(n2)Cc(c3)ccc(c34)cccc4 -MOL_01_014688,NCCCNC(=O)Nc1ccc(c(C(Cl)(Cl)Cl)c1)-n2cncn2 -MOL_01_014689,c1ccccc1COC(=O)C(CC(=O)C(F)(F)F)Cc2ccc(cn2)OCc3ccccc3 -MOL_01_014690,Cc(c1)ccc(c12)nc3c(n2)cccc3C(N)CCCN(C)C -MOL_01_014691,NCc1c(CN)cc(cc1CN)C(=N)NCCC(c2ccccc2)c3ccccc3 -MOL_01_014692,O=c1n(C)cc(n1CC)CC2CCN(CC2)C(=O)C3CCCCC3 -MOL_01_014693,NCc1cccc(c1)NC(O)CCCCc(c2)ccc(c23)CCC3 -MOL_01_014694,CCc1ccc(CC(C)C(F)(F)F)c(c1)C(=O)N(C2)Cc(c23)cccc3CN -MOL_01_014695,Cc1ccccc1CCC(O)CCc(n2)cc(O)n(c23)ccc3 -MOL_01_014696,CCc1ccc(cc1)CC(C2=O)=NC(=O)c(c23)cccc3C -MOL_01_014697,c1ccccc1CCC(=N)c2ccccc2OCC(O)CN3CCN(CC3)C(=N)c4ccccc4 -MOL_01_014698,CCc1nc(ncc1Cl)Cc2ccc(cc2CN)C(=O)CC3CC3 -MOL_01_014699,CC(C)Cc1nc(C)cc(n1)C2CC(=O)C(C2)Cc3ccccn3 -MOL_01_014700,CCCC(=O)N1CCC(CC1)CCc2ccc(c(c23)cccc3)NC(=O)c4nccn4C -MOL_01_014701,Cc1ccc(cc1)NC(CC2(C)C)=NN2C(=O)CCc3ccccc3Cl -MOL_01_014702,CC(=O)CCNC(=O)c1ccc(cc1)C(C(N)N)Cc2ccc(cc2)-n3cc(C(F)(F)F)cn3 -MOL_01_014703,c1cccc(c12)C(=N)C(C(=N)NCC)C(C2=N)Cc3ccc(NC)cc3 -MOL_01_014704,CCN(CC)CCCC(C)Nc(c(N)c1)nc(c12)cc(N)cc2 -MOL_01_014705,C=C(O)c1cccc(c1)C2C(CN)=C(C)Cc(c23)cc(cc3)C(C)C -MOL_01_014706,Cc1c(CN)ccnc1CCC(N=2)=NC(C23)=CC=C3 -MOL_01_014707,CC(N)Cn1ccc(c12)cc(N)c(c2)N -MOL_01_014708,CCc1cccc(c1)C(=O)Cc2c(N)nn(c2N)CC(=O)CCN -MOL_01_014709,c1ccccc1CCN(CC2)C2(C)C(=N)NC3CCN(CC3)Cc4ccccc4 -MOL_01_014710,NCc1cccc(c1)C2CCCC2Cc3nccn3C4CC4 -MOL_01_014711,C1CC1N2CCN(CCC2)C(=N)c3ccc(nc3)Cc4cccc(F)c4 -MOL_01_014712,Cc(c1)ccc(c12)c(=C)n(c2=C)-c3c(CN)cccc3CN -MOL_01_014713,c1cc(Cl)cc(n12)nc(C)c2C(N)NCc3cccc(c3)CN -MOL_01_014714,NCc1ccc(cc1)Cc(n2)cc(N)c(c23)cccc3N -MOL_01_014715,CC(=O)c1cc(ccc1C)CC(=O)C2CC(=O)CC2c3ccccc3 -MOL_01_014716,c1cccc(c12)c(N)cc(N)c2CC(N)C3CCCCC3 -MOL_01_014717,CC(=N1)NCNC1(N)c2cc(ccc2F)CC(=O)c3cncnc3 -MOL_01_014718,Cc1ccccc1CN2CCN(C2O)CC(O)NCCCN3CCN(CC3)c4ccc(F)cc4 -MOL_01_014719,NCC(=O)c1ccccc1CN2CCCC(C2)Cn3ccnc3 -MOL_01_014720,C123C45C26C35C6Cc7ccc(cc7)/N=C(/N)CNc8cc(NC14)ccc8 -MOL_01_014721,CC(O)Cc1cccc(c1)-c(c2)cc(O)c(c23)ccc4c3cccc4 -MOL_01_014722,CCn1cc(c(n1)C)CN2CCC(CC2)C(N)Nc3ccc(cc3)Cc4cccnc4 -MOL_01_014723,C1CC1C(CN)C(=O)CC(C)CCc2cc(N)ccc2N -MOL_01_014724,Cc1ccn(n1)C(N)c2ccc(cc2)NC(N)C3CCCCC3 -MOL_01_014725,CC(=O)c1cncc(c1)CNc2cccc(c2)CC(=O)c3ccnnc3 -MOL_01_014726,CCCN1CCN(CC1)C(=O)c2cn(cn2)-c3ccccc3Cl -MOL_01_014727,c1ccccc1CCc2ccc(C(=O)C)cc2CC(=O)C3CN=NCC3C(=O)C -MOL_01_014728,c1ccccc1CC(C(=C)NC)NC(=C)C2(OC)CCC(CN)CC2 -MOL_01_014729,Cc1ccccc1-n2c(N)nnc2Cc3ccc(cc3)-c4ccccc4 -MOL_01_014730,c1cccc(c12)nc(nc2C)-c3cc(CN)ccc3CN -MOL_01_014731,Nc1ccc(cc1N)-n2cccc2-c3ccccn3 -MOL_01_014732,Nc1cccc(c1)-n2ccc(c2N)C3=NCCN3 -MOL_01_014733,Cc1ccc(c(C)c1)-n2ncc(c2N)C(N)NCC3CCCC3 -MOL_01_014734,CCCCc1cc(N)cc(c12)cc(C)cc2OCC(N)NCCN3CCOCC3 -MOL_01_014735,CC(=O)CCNC(=O)c1ccc(cc1)C(CCC)Cc2cnc(nc2)-n3cc(C(F)(F)F)cn3 -MOL_01_014736,C1=CC(C)(C)N=C(C12N)C(=O)C(C)(C)C(=O)C2(C)C -MOL_01_014737,C12CCC(C1)CC2Cc3cc(ccc3CN)C(=O)Nc4c(F)cccc4F -MOL_01_014738,CCc1ccccc1C(=O)NCCC(=O)NCc2cccnc2 -MOL_01_014739,C1CCCc(c12)ccc(c2)C(=N)CC(N3CCOCC3)C(=N)Nc4ccccc4 -MOL_01_014740,CC(C)(C)CC(=O)NC1(C(C1)CC(=O)C)C(=O)CCc2ccccc2 -MOL_01_014741,CCCc1ccccc1NC(N)CN2CCC(CC2)NC(N)Nc3ccccc3 -MOL_01_014742,ClCC(O)Cc(n1)cc(c12)c3c(cc2)cn(O)cc3 -MOL_01_014743,C=C1CCCC1NC(=C)c(n2)ccc(c23)cc(cc3)Cc4ccc(CN)cc4 -MOL_01_014744,CCCc1cc(C)nc(c1CN)CCC(O)Cc2ccc(Cl)cc2 -MOL_01_014745,CCc1cccc(CC)c1C(=O)C2CCN=C2CCc3cccnc3 -MOL_01_014746,NCc1ncc(c(n1)CN)-c2c(O)ccc(c23)cc(cc3)-c4cccc(O)c4 -MOL_01_014747,Nc1cc(C(F)(F)F)nn1CC(N)C(=O)Cc2cccnc2 -MOL_01_014748,CC(=O)c1ccc(cc1)C(=O)C2CCC(CC2)n3nccc3CC(=O)C4CC4 -MOL_01_014749,Nc1nc(ccc1)NC(=C)c2ccc(c(c2)C(=C)C)NC(N)c3ccccc3 -MOL_01_014750,NC(N)(N)C(C1)C(C(C)C)=Cc(c12)c(N)ccc2N -MOL_01_014751,CCCc1ccc(c(c1)C(N)(N)N)-c2cnccc2C -MOL_01_014752,c1cccnc1C(O)N(CC2)CCC23CCC(O)N(C3)c4cncnc4 -MOL_01_014753,NC(=O)C(C(=O)C=1)=Cc(c12)ccc3c2=CC=C3 -MOL_01_014754,NC1CCC(CC1)c2cccnc2Oc3ccc(cc3)Cc4ccccn4 -MOL_01_014755,C1CCCN1C(=N)CC(c(c2)ccc(c23)CCC3)c4c(F)cc(CN)cc4CN -MOL_01_014756,c1ccc(n12)ncc(c2N)-c3ccccc3 -MOL_01_014757,CCc1ccc(cc1)CCC(N)c(n2)cc(n23)cccc3 -MOL_01_014758,COc1ccc(cc1)C2CCC(CC2)C(N)c3ccc(cc3)OCC4CCCO4 -MOL_01_014759,COc1ccccc1OCC(N)CCC(c2ccc(Cl)cc2)C3CCOCC3 -MOL_01_014760,COC1=CC(N)C(=CC1N)C2CCC(CC2)C3CCC(CC3)Cc4ccccc4OC -MOL_01_014761,c1cccc(c12)c3c(C2N)cccc3C(N)CCCC4CCCCC4 -MOL_01_014762,Cn1ccnc1-c2ccc(CN)c(c2)CCCCc3ccccc3 -MOL_01_014763,Cc1ccc(C)c(c1)CC(O)Nc2cccc(n2)C(O)N(C)C -MOL_01_014764,Cc1nc(C)c(c(N)c1N)-c2ccc(cc2)-c3ccc(N)cc3 -MOL_01_014765,Cc1ccc(cc1)CC(O)Cn2c(O)cc(c23)cccc3 -MOL_01_014766,CC(C)c1nn(cc1)C2(C(=O)C)CCC(CC2)c3ccc(C)nn3 -MOL_01_014767,FCCNC(N)c(c1N)cnc(c12)ccc(c2)Cc3ccccc3 -MOL_01_014768,c1cc(C)cc(c12)ccn2C(=C)c3cc(CN)c(CN)c(c3)CN -MOL_01_014769,CC(C)(C)CC(=O)N1CC(C)(C)N(C12)C(=O)C2(C)CN -MOL_01_014770,Cc1ccc(cc1)NCc2cccc(c2)C(=O)NCC(C)(C)N3CCCCC3 -MOL_01_014771,CCCC(=N)c1cccc(c1)NC(=N)C(C2)CCc(c23)ccc(c3)CN -MOL_01_014772,C=C(O)c1c(N)nc(NCCCN)nc1NCc2ccccc2 -MOL_01_014773,Cc(c1)ccc(c12)cc(cc2N)C(N)NC3CCN(CC3)Cc(c4)ccc(c45)CCC5 -MOL_01_014774,Cc1cc(C)nc(n1)CCc2ccc(cc2)CN(C3=O)C(=O)c(c34)cccc4 -MOL_01_014775,Cc1ccnc(c1)NC(N)c2cc(ccc2Cl)CN3CCCCC3 -MOL_01_014776,CCc1ccc(cc1)NC(=O)N2CCN(C(=O)C)CC2CN3CNC(C)C3 -MOL_01_014777,C=C(C)c1cccc(c1)C(=O)C(C2NNNNN2)CC(=O)Cc3ccc(Cl)c(c3)C(=C)C -MOL_01_014778,CN1CCN(CC1)CC(=O)Nc2c(CN)ccn2-c3ccccc3 -MOL_01_014779,Nc1cc(ccc1)CC(=N)c2cnn(c2N)-c3ccccc3 -MOL_01_014780,NCN(CN)CCCc(c1)ccc(c12)c3c(C2=C)cc(cc3)CCCN(CN)CN -MOL_01_014781,COc1ccc(cc1O)CC(C(O)C2)c(c23)cccc3 -MOL_01_014782,COc(c1)c(OC)cc(c12)CC(C2N)Cc3cccc(c3)CN4CCCC4 -MOL_01_014783,C1CCCc(c12)c(CN)c(N)nc2C -MOL_01_014784,c1cccc(c12)c(nn(c2=O)C)NC(=O)Nc3ccc(Cl)cc3Cl -MOL_01_014785,c1ccccc1C2(CCC(=N)CC2)CNC(=N)c3cccc(Cl)c3 -MOL_01_014786,Nc1ccc(cc1)C(C(N)N)c2ccccc2N -MOL_01_014787,C1CNCC1C(=O)C(CC2)CCc(n23)nnc3Cn4cccc4 -MOL_01_014788,c1ccccc1CCc2cc(NCc3ccccc3)nc(n2)-c4ccncc4 -MOL_01_014789,Fc1ccccc1-c(cc2N)cc(c23)c(c(O)cc3O)-c4cncnc4 -MOL_01_014790,CCc1ccc(Cl)c(c1)CC(N)CCc2nnc(N)n2Cc3ccccc3 -MOL_01_014791,c1cccc(c12)C(=CC(N)C2N)c3cccc(c34)cccc4 -MOL_01_014792,C=C(O)c1ccc(N)nc1C2CN(C2)C(C)O -MOL_01_014793,Cc1cccn(c12)nc(n2)Cc3ccc(C(N)(N)N)cc3 -MOL_01_014794,c1cccc(c12)CC(C2)(CN)CC(N)CCCOc3ccc(Cl)cc3Cl -MOL_01_014795,c1ccncc1CC(=N)N2CCCN(CC2)c3ccnc(N)c3 -MOL_01_014796,C1CCCC1c2nc(C)cc(n2)-c3cnc(nc3C)C4CCCC4 -MOL_01_014797,O=C1C=CC(C)=C1CC(=O)CCC(=O)c2cc(C)ccc2C -MOL_01_014798,NCc1c(Cl)cc(Cl)cc1C(N)Nc2cccc(c23)cccn3 -MOL_01_014799,Nc1ccc(cc1)C(=N)NCCc2ccc(cc2)-c3ccccc3 -MOL_01_014800,Fc1cc(F)ccc1CCc2cc(C)n(c(c2)=N)Cc3ccc(CN)cc3 -MOL_01_014801,CC(=N)c1ccc(Cl)cc1NCC2CCCC2NC(=N)C(C)(C)C -MOL_01_014802,C=C(O)c1cccnc1Cc(c(c2)CC)cc(c23)cc(O)cc3C -MOL_01_014803,CN(C)CCn(c1=O)c(=O)c(c12)c3c(nc4c3cccc4)c5c2c6c(n5)ccnc6 -MOL_01_014804,NN(C1)CCC(C1=2)c3c(N2)cccc3 -MOL_01_014805,NCc1cn(cn1)-c(c2)ccc(n23)ccc3C(F)(F)F -MOL_01_014806,NCCc1ccccc1-c2ccc(ON)c(ON)c2ON -MOL_01_014807,CC(O)c1c(C)c(C)nc(n1)-c2ccccn2 -MOL_01_014808,CCc(c1)ccc(c12)CN(C2)C(=O)Cc3ccc(cc3)CC(=O)NC4NNNN4 -MOL_01_014809,OCCCNC(=O)C(N)NCC(c1ccccc1)c2ccccc2 -MOL_01_014810,CC(=O)Cc1cccc(c1)C(=O)CCC(=O)CC(=O)Nc2ccccc2 -MOL_01_014811,C1CCc(c12)cc(cc2CC)C3C(CN)=C(N)Cc(c34)cc(C)cc4 -MOL_01_014812,NC(N)(N1)CCc(c12)cc(cc2)NCc3ccccc3 -MOL_01_014813,Clc1ncc(cc1)C(O)CCC(O)N2CCN(CC2)c3ccccc3 -MOL_01_014814,CCCn1cc(C)c(c1CCC)Cc2cc(N)cc(N)c2 -MOL_01_014815,Cc1ccc(c(C)c1)CC2=C(N)CC(CC2N)c3ccccc3 -MOL_01_014816,CC(C)(C)OC(=N)N1CCN(CC1)C(=N)c2cccc(c2)NC(=N)NC34CC5CC(C3)CC(C5)C4 -MOL_01_014817,Nc1cc(N)nc(n1)CCc2ccc(cc2)NC(O)Nc3ccccc3F -MOL_01_014818,CC1(C)CN(CC)C(C(=O)C1)CC(=O)NCc2cccc(C)c2 -MOL_01_014819,Nc(c1)ccc(c12)CC(N)CC2(C(N)(N)N)CCC3CC3 -MOL_01_014820,NCCCCCc1nc(CC(N)N)nc(c12)nccc2 -MOL_01_014821,NCC(CN)Cc1cn(cn1)-c(c2)ccc(c23)cccn3 -MOL_01_014822,C1CCCCC1CCN2C(=O)C(=O)CCC2CCCCN3CCN(C(=O)C3=O)CC4CCCCC4 -MOL_01_014823,Cc1cccc(C)c1-n2nnnc2CCc3nc(N)nc(n3)N(C)C -MOL_01_014824,C1CCCC1(CC)Cc2ncnc(c23)c(O)ncc3 -MOL_01_014825,NC(N)(N)C(C1)C(C(=C)C)=Nc(c12)cc(cc2)CN -MOL_01_014826,Fc1ccccc1C(=N)NCC2CCCN2C(=N)CC(N)Cc3ccccc3F -MOL_01_014827,Cc1ccc(Cl)cc1-n2cc(nn2)C(=N)c3ccccc3 -MOL_01_014828,COc1ccccc1N2CCN(CC2)Cc3ccc(cc3)C(N)N4CCCC4C(N)N -MOL_01_014829,Cc1cccc(c1C)CC(O)c2ccccc2OCC(O)N3CCOCC3 -MOL_01_014830,c1ccccc1C(=O)c2cccc(c2)CC(=O)N(CCN34)C(CC3)CC4 -MOL_01_014831,CC(C)CC(=O)N1CCC(C1)c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_014832,c1ccccc1CC(C(N)NC2CC2)NCc3ccccc3F -MOL_01_014833,CCCC(=N)c1ccc(cc1)Cc2ncnc(c23)ccc(c3)C -MOL_01_014834,NCc1nc(nc(c1)CN)C(C)c2c(Cl)cccc2CCC(F)F -MOL_01_014835,C1CCCC1Cc2cc(ccc2CN)C(=O)Nc3ncccc3Cl -MOL_01_014836,NCC(=C)c1cccc(c1)CCc2nccnc2Cc3cc(CN)ccc3N -MOL_01_014837,CC(C)CCc1c(C)c(nc(n1)CN)C2CCC(C(C)N)CC2 -MOL_01_014838,c1cccc(c12)C(N)N(C2N)CCCCN3CCN(CC3)c4ccccc4Cl -MOL_01_014839,Cc1ccc(cc1)C2C(CN)=C(N)Cc(c23)cc(N)cc3 -MOL_01_014840,CCCCCCCC(NC1)Cc(c12)c(C)c(N)cc2N -MOL_01_014841,CN1CCC(C1)Cc2cc(ccc2C(F)(F)F)NCc3cccc(c3)CN -MOL_01_014842,C1CCCCC12C(=C(C)C(=O)C2)C(=O)Nc3ccc(C)cc3Cl -MOL_01_014843,Nc(c1)ccc(c12)c(N)cc(n2)Cc3c(N)cccc3N -MOL_01_014844,Oc1ccc(cc1C)C(O)C(C)C(CC2)CCC2(O)c3ccc(F)cc3 -MOL_01_014845,C=C(N)c(c1)ccc(c12)ncnc2Cc3ccc(Cl)c(Cl)c3 -MOL_01_014846,Fc1ccc(cc1)CN(C)C(=N)C2CCCN2C(=N)Nc3ccc(Cl)cc3 -MOL_01_014847,NCCCCC(=O)CN(c1ccc(C)cc1)C(=O)CCC(=O)Cc2ccccn2 -MOL_01_014848,Cc1cccc(c1)NC(=N)CCc2cccc(c23)C(=N)NCC3 -MOL_01_014849,CCc1ccccc1Cc2nc(N)nc(c23)cccc3 -MOL_01_014850,Cc1cccc(c1C)N(CN)CC(=O)N2CCCCCC2 -MOL_01_014851,O=C(O)c1ncncc1NCC2CCCc(c23)nnnn3 -MOL_01_014852,CC(C)CN(C)C(=N)C1CCN(CC1)Cc2cccc(c2)NC(=N)c3cncc(F)c3 -MOL_01_014853,NCc1cnc(cn1)NC(=O)Nc2ccc(cc2CN)CCNCCc3ccc(F)cc3 -MOL_01_014854,c1ccccc1CN(c2ccccc2)CC(=N)N3CCN(CC3)C(CN)c4cccnc4 -MOL_01_014855,c1ccncc1C(C)CNCCc2ccc(cc2)NCc3ccc(cc3)N4CCN(C)C4=O -MOL_01_014856,Cc1cc(C)nc(n1)CCC(=O)N(C)CC(=O)Nc2c(C)cccc2C -MOL_01_014857,Nc1cccc(c1)NC(N)c2c(N)nn(c2N)-c3ccccc3 -MOL_01_014858,CCC(=O)CC(C)(C1=O)C(=O)C=C(C1=2)C=C(CC2)c3ccc(CN)cc3 -MOL_01_014859,CC(N)Cc1ccc(cc1)-c2cccc(c2)C(N)N3CCCCC3 -MOL_01_014860,Cc1nn(C)c(ON)c1CCCc2ccc(cc2)C(=N)N(C)C(C)C -MOL_01_014861,Cc1ccccc1NC(=N)C(c2ccccc2)NCCc3ccc(ON)c(c3)ON -MOL_01_014862,CC(C)C(C)NC(=N)c1ccc(cc1)NC(=N)N(C2)Cc(c23)cccn3 -MOL_01_014863,c1cccc(c12)c(C(=O)CN)cnc2C -MOL_01_014864,CCC(C(=N)O)Cc1ccc(ON)c(c1)CNC(=N)c2ccc(c3c24)ccc5c3c(cc4)ccc5 -MOL_01_014865,Cn1cc(cn1)-c2ccccc2CCC(=O)c3ccc(Cl)nc3 -MOL_01_014866,C1CC(=O)c(c12)ccc(c2)CCC3(C)CCN(CC3)C(=O)Cc4ccc(cc4)-n5ccnc5 -MOL_01_014867,c1ccncc1CNC(=O)NC2CCCN2Cc3ccc(Cl)cc3 -MOL_01_014868,CCc1ccc(nc1)CCCc(c2)ccc(c23)CC(C(=O)C3)C(=O)CN -MOL_01_014869,c1ccccc1N(C)c(cc(c23)C(=N)NC3=N)c(c2)Nc4ccccc4 -MOL_01_014870,c1ccccc1CCCC(=O)N2CCN(C(=O)C2)Cc3ccccc3F -MOL_01_014871,NCCc1ccccc1NC(=C)NCc2ccc(nc2)CCC3CC3 -MOL_01_014872,OCC(O)c1nc(C(C)O)cc(c1)-c2ccc(cc2)Cc3ccc(CC(F)(F)F)cc3 -MOL_01_014873,Cn1cccc1C(=O)CCC(=O)N(CCCN)c2ccccc2 -MOL_01_014874,c1ccccc1CNC(=O)CCC(C)Cn2cnc(c2)CN3CCN(CC3)c4ccccc4 -MOL_01_014875,CCc1cccc(c1)CCC(N)c(n2)cc(n23)cccc3 -MOL_01_014876,Cc1ccc(cc1)NC(N)C2(C)CCN2Cc3cccc(c3)CCCN -MOL_01_014877,Cn1ccnc1Cc2ncc(Cl)cc2NCc3ccc(Cl)c(Cl)c3 -MOL_01_014878,C1CCCCC1N(C)CC2(O)CCCN(C2N)Cc3cccc(F)c3F -MOL_01_014879,NCc1cccc(c1)Cc(n2)ncc(c23)C(=O)CCC3 -MOL_01_014880,Cc1ncn(c12)c(ccc2)Nc3cccnc3 -MOL_01_014881,O=c1ccccn1C(=O)Cc2cn(cn2)-c3cccc(F)c3 -MOL_01_014882,CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2=NCC(C23)=NCC3 -MOL_01_014883,CCc1nc(CCO)cc(n1)C2CCC(CC2)c3ccccc3CN -MOL_01_014884,Cc1cc(NC(C)N)ccc1CCc(c2)cc(C)c(c23)NCC(=N3)N -MOL_01_014885,NCCCN(C=1)C(CCCC)=CC(C12)=CC(=N)C(C)(C2=N)CC(=N)CC -MOL_01_014886,NCc1cc(F)cc(c1)Cc2ccnc(c2)N3CCCCC3 -MOL_01_014887,c1cccc(c12)CC(C2)(C(=N)N)NC(=N)CCCNc3ccc(Cl)cc3Cl -MOL_01_014888,O=C(N=1)C=c(c12)cc(cc2)C(=O)CN3CCN(CC3)c4ccccc4 -MOL_01_014889,N1=C(C)CC(N12)N(CC)C(=O)C(C2=O)CC -MOL_01_014890,Cc1ccc(cc1C)C(=O)CCC(=O)CCC(=O)CC2CCCN2 -MOL_01_014891,Cc1cccc(c1)NC(=O)CN(C)C(=O)c2ccc(cc2)C3CCCC3 -MOL_01_014892,Cc1cccc(c1CC(C)C)C(N)NC(C2)(C(C)N)Cc(c23)cccc3 -MOL_01_014893,CC(O)Nc1ccc(cc1)NC(O)c2ccccc2-n3cnnn3 -MOL_01_014894,c1cccc(c12)c(nc(n2)C(C)(C)C)CCC(N)C3CCCC3 -MOL_01_014895,CNC(O)Cc1cccc(c1)CN(C)CCCCc(c2)ccc(c23)ccc(c3)O -MOL_01_014896,c1cccnc1NC(=O)CC(C2)CCc(c23)cccc3 -MOL_01_014897,Cc1ccc(cc1)-c2cccc(n2)-c3cc(CN)c(CN)c(c3)CN -MOL_01_014898,CC(C)(O)CC(=O)NC1CCC(CC1)CCN2CCC(CC2)c3cccc(c34)ONO4 -MOL_01_014899,Nc1ccccc1-c2nc(co2)CN3CCCCC3N -MOL_01_014900,Cc1cc(O)cc(c12)cc(cc2)CCC(O)CCc3cccnc3 -MOL_01_014901,Cc1cccc(n1)CCCCc2nccc(c23)cc(cc3)CNc4ccncn4 -MOL_01_014902,Clc1ccccc1CNC(=O)CCC(=O)c2ccccn2 -MOL_01_014903,C=C(O)c1cc(C(C)O)cc(c12)C(O)c3c2c(C(=C)O)cc(c3)C(C)O -MOL_01_014904,Cc(c1)ccc(c12)n(c(c2)N)CC(N)c3ccccc3 -MOL_01_014905,CCc1cc(n(C)c1N)-c2ccc(N)cc2 -MOL_01_014906,c1ccccc1C(c2ccccc2)C(N)NCCCN3CCOCC3 -MOL_01_014907,n1nnnnc1CC(C(C)C)C(N)C(N=N2)=NN(N23)CCC3 -MOL_01_014908,NCc1ccc(cc1)C(=C)N(CC2)CCC23CCCN(C3)c4ncccn4 -MOL_01_014909,NCc1ccc(Cl)c(c1)NC(=O)CCC(=O)c2c(Cl)cccc2Cl -MOL_01_014910,Fc1ccc(cc1)C(=N)NCC2CCCN2C(=N)CC(N)Cc3ccccc3F -MOL_01_014911,CNc1ccccc1N2CCN(CC2)CCc3ccc(cc3)CN(C4N)C(N)c(c45)cccc5 -MOL_01_014912,n1cccnc1Nc2cc(ccn2)CC(C)c3cccc(c3)C(=O)NCc4ccc(CN)c(c4)CN -MOL_01_014913,C=C(N1)NCc(c12)nc(cc2)NC(=C)C(N)NC -MOL_01_014914,NCc1cccc(c1)NC(N)Nc2ccc(cc2Cl)C3CCCNC3 -MOL_01_014915,Nc1c(N)ccc(CC(C2)N)c1C23CCCCC3 -MOL_01_014916,Cc1ccc(cc1)Cn2cnc(c2C)C(N)N(CN)CCCc3ccccc3 -MOL_01_014917,NCc1cccc(c1)N(CCC2)CC23CCCN(C3)C(=O)NC(N)N -MOL_01_014918,Cn1cc(cn1)CNC(N)c2ccc(CC)c(c2)CC3CCN(C(C)C)CC3 -MOL_01_014919,c1cccc(c12)C(N)C(C2N)(CC)CC3(CC3)c4cccc(Cl)c4 -MOL_01_014920,CN1CCCCC1C(=N)N2CCN(CC2)c3ccccc3CN -MOL_01_014921,C1CCCC=C1C(=O)Nc2ccc(cc2)C(=O)NCCCN3CCCCC3 -MOL_01_014922,CCc1ccc(CCC(=O)C)c(c1)C(=O)c2cnn(c2)-c3ccccc3 -MOL_01_014923,CCc1ccc(cc1)NC(=N)C(C)NC(=N)C2CCN(CC2)C(=N)C(N)Cc3ccccc3 -MOL_01_014924,CC(O)c1ccc(cc1)-n2cc(CN)c(c2)C(O)C3CCCCC3 -MOL_01_014925,c1cccc(c12)c(CC(=O)C)c(c(CC(=O)C)c2CC(=O)C)C(=O)C3CCC(C(C)(C)C)CC3 -MOL_01_014926,c1ccccc1C(c2ccccc2)C(=N)NCCc3ccc(O)cc3 -MOL_01_014927,C1CCCCC1C(C)NC(N)c2ccc(nc2)CCc3cccc(F)c3 -MOL_01_014928,C1CCCc(c12)ccc(c2)C3(CCCC3)C(N)NCCn4ccnc4 -MOL_01_014929,NOCCN(N)c(n1)cc(N)c(c12)cccc2 -MOL_01_014930,CCc1cc(C(C)C)c(cc1C(Cl)N(C)C)Cc2cnc(N)nc2N -MOL_01_014931,Cc1nc(N)nc(c12)NCC(N2)CCCC(C)C -MOL_01_014932,CC(C)(C)CC(=C)NC(C(=C)NCCN)Cc1ccc(C)cc1 -MOL_01_014933,Clc1cc(ccc1)C(N)CNC(C)Cc2ccc(cc2)-c3ccc(C(N)N)cc3 -MOL_01_014934,Cc(n1)nc(C)c(c12)nc(cn2)C(C)CCc3ccccc3 -MOL_01_014935,c1cccc(c12)c(nnc2N)CC(N)N3CCN(CC3)CC(N)Nc4cccc(F)c4 -MOL_01_014936,NCc1cccc(c1)CN(C2)CC(CCC3)C23CCc4cccnc4 -MOL_01_014937,CC(C)CNCc1ccccc1-c2ccc(c(F)c2)-c3ccc(N)nc3 -MOL_01_014938,Cc1cccc(c12)c(cc(c2)CCC)C(=O)CC(C(=O)N)C3(C)CC3 -MOL_01_014939,CCc1cc(C)cc(c12)nc(C(N)N)nc2C -MOL_01_014940,Cc(n1)nc(C)c(c12)cc(cc2)NCc3ccccc3N -MOL_01_014941,Fc(c1)ccc(c12)cc(cc2O)C(O)NC3CCN(CC3)Cc(c4)ccc(c45)CCC5 -MOL_01_014942,Nc1ccccc1C(C)(C)C(N)CCC(N)C2CCCC2 -MOL_01_014943,C1CCCCC1Cc2cc(ccn2)CNCC(C3)CNc(n34)ccn4 -MOL_01_014944,Cc1ccccc1C(CC(=O)C)CC(=O)c2nc(F)ccc2F -MOL_01_014945,c1ccccc1C(c2ccc(C)cc2)N3CCN(CC3)CNCNc4ccc(CN)cc4 -MOL_01_014946,C1CCCCC1NC(=O)C2CCN(CC2)c3nccn3-c4ccccc4 -MOL_01_014947,Cc1ccccc1OCCCOc2ccc(N)cc2ON -MOL_01_014948,Nc1cc(cc(c1)N)C(=C)CCC(=C)Nc2cc(ccc2Cl)CN3CCCCC3 -MOL_01_014949,NNCn1n(C(C)C)c(=N)c(c12)cccc2 -MOL_01_014950,NC(O)c1ccccc1NC(N)CCc2ccc(cc2)-c3ccc(C(F)(F)F)cc3 -MOL_01_014951,CCCCCc(n1)nc(c12)ccn(c2)CN -MOL_01_014952,Cc1ccc(cc1)NC(N)C(N2CCCC2)c3ccc(F)cc3F -MOL_01_014953,C1CCCN1c2ncccc2C(O)NCCCCCC3CCCC3 -MOL_01_014954,CCc1cc(CC)nc(n1)NC2CC(O)c(c23)cccc3 -MOL_01_014955,Cc1ccn(CC2CC2)c(=O)c1Cc3ccc(N)cc3N -MOL_01_014956,c1ccnn1CCNC(=C)Nc2cc(ccc2Cl)C(=C)N3CCCCC3 -MOL_01_014957,Cc1ccc(nn1)CC2CCC(CC2)C(N)c3cccnc3C(C)C -MOL_01_014958,CNC(N)c1cccc(c1)NC(N)CCc2cccc(c23)cccc3 -MOL_01_014959,NOCCNC(=O)c1ccc(o1)CCCc2cccc(Cl)c2 -MOL_01_014960,COc1ccc(cc1OC)CC(CN)n(n2)nc(c23)cccc3 -MOL_01_014961,Cc1ccc(nc1)NC(=O)c2cccc(c2)CCc3cccn3C -MOL_01_014962,NCc1cccnc1CCc2cccc(c2)C(=O)CCC3CCCCO3 -MOL_01_014963,Cc1cc(C)nc(n1)NC(=O)NC(=O)c2c(Cl)ccc(Cl)c2CN -MOL_01_014964,NCc1ccc(cc1)CC(N)c2cccnc2C3CCCCC3 -MOL_01_014965,Cc1ccnc(c1)CCc2ccc(C(=N)NC)cc2-c(c3)ccc(c34)CCNCC4 -MOL_01_014966,CC(=O)NCc1ccc(cc1)CC2CNCC(C2)c3nccnc3C -MOL_01_014967,Clc1cnc(cc1)NC(O)CCc2ccc(Cl)cc2Cl -MOL_01_014968,CC1CCN(C1)C(=O)c2cccc(c2)Cc3cc(CN)cc(n3)C(F)(F)F -MOL_01_014969,COc1ccccc1NC(=N)C(C)OC(=N)C2CCN(CC2)Cc3ccc(C)c(C)c3 -MOL_01_014970,NCCC(=O)Nc1ccc(cc1)C(=O)CCC(=O)N(C2CCCCC2)C3CCCCC3 -MOL_01_014971,C=C(O)c1cnc(N)n1CCCC(=O)c2ccc(Cl)c(Cl)c2 -MOL_01_014972,c1cccc(c12)cc(nc2)Nc3cnc(CN)c(n3)CCC4CCNCC4 -MOL_01_014973,CC(=O)c1cccnc1Cc2cccc(N)c2N -MOL_01_014974,CCCc1ccccc1CCC(=O)C(=C(C)C(=O)C2)C23CCN(C(=O)C)CC3 -MOL_01_014975,c1cccnc1CCc2n(C)c(cc2)-c3ccc(CN)cc3 -MOL_01_014976,CCCc1ccc(nc1)C(=N)Nc2ccc(cc2)C3CCCNC3 -MOL_01_014977,Cc1ccc(cc1)C(NC(=O)CC)c(c2C)ccc(c23)cccn3 -MOL_01_014978,O=C1N=CN=C(C1=2)C=C(N2)NC(=O)c3ccccc3 -MOL_01_014979,NC1CC(C1)C2CCC(CC2)CCCOc3ccc(cc3)C(N)C4CC4 -MOL_01_014980,c1cnncc1C(N)Nc2cc(ON)cc(c2)C(N)Nc3cccc(C(F)(F)F)c3 -MOL_01_014981,N=C(N)c1cccc(c12)cn(c2)-c3ccc(cc3)CN4CCCCC4 -MOL_01_014982,NCCCCc1c(C)cc(c12)c(C)c3c(c2)c(C)cn(c3)O -MOL_01_014983,Cc1cc(c(o1)C)C(N)N2CCC(CC2)N3CCN(CC3)C(N)c4c(cccc5)c5cc(c46)cccc6 -MOL_01_014984,CCCC(N)c1cnc(CC)nc1Cc2cccc(c23)cccc3 -MOL_01_014985,CCCc1c(CC)ccn1-c2c(Cl)cc(C(N)(N)N)cc2Cl -MOL_01_014986,CCCC(O)Cn1c(O)cnc1-c2ccc(C)cc2 -MOL_01_014987,CC(C)(C1)CCC(C12)c3c(C2=N)c(C(N)(N)N)ccc3 -MOL_01_014988,CCN(CC)c(c1)ccc(c12)cc(c(c2)N)C(N)NC3(C(N)NCCN)CCCCC3 -MOL_01_014989,ClCc(c1)ccc(c12)cc(N)c(c2)C(N)CC3CCC(N)CC3 -MOL_01_014990,c1ccccc1-c2ccc(N)c(c2)NC(N)c3ccc(cc3)CNC(N)Cc4cccnc4 -MOL_01_014991,NCc1c(C)nc(cc1)C(=C)N2CCCN(CC2)Cc3cnn(C)c3 -MOL_01_014992,Nc1c(C)c(C)nc(c12)cc(N)cc2N -MOL_01_014993,CN(C)CCn(c1=N)c(=N)c(c12)c3c(nc4c3cccc4)c5c2c6c(n5)cccc6 -MOL_01_014994,CCOC(=O)N1CCN(CC1)C(=O)c2ccc(o2)CC(O)c3ccccc3 -MOL_01_014995,CNC(N)c1cccc(c12)Nc3c(N2)c(CN)c(C)c(C)c3CN -MOL_01_014996,CCCC(=O)Cc1ccc(cc1C)Cc2ncnc(c23)cccc3 -MOL_01_014997,C=C(C)c1cn(cn1)-c2ccc(c(c2)CN)CCc3ccc(CN)cc3 -MOL_01_014998,Cc1ncnc(c12)Cc3c(CC2=O)cccc3 -MOL_01_014999,COc1cc(OC)cc(c1)C(N)CC(c2ccccc2)c3ccccc3 -MOL_01_015000,c1ccnn1-c2ccc(cc2)C(=N)C3(F)CCN(CC3)CCc4ccc(F)cc4F -MOL_01_015001,CCCCCCNC(=O)CCC1CC(=O)NC1CN2CCN(CC2)c3ccccc3 -MOL_01_015002,CCC(N)CC1CCN(CC1)CC(CC2)=Cc(c23)c(Cl)ccc3CN -MOL_01_015003,COc1c(OC)cc(cc1OC)C(O)Nc2cc(ccc2C)NC(O)c3cccc(c3)N(C)C -MOL_01_015004,C=C(O)c1cnc(C)n1CCCC(=O)NC(C(Cl)(Cl)Cl)NCc2ccccc2 -MOL_01_015005,NCc1ccc(cc1)C(N2CCCCC2)CNC(O)c3ccc(cc3)-n4ccnc4 -MOL_01_015006,CN(C)C(N)Cc(cc1)cc(c12)cc(N)c(c2C)-c3ccccc3C(F)(F)F -MOL_01_015007,CCc1ccc(cc1)Cn2nc(C)cc2CC(N)c3ccccc3F -MOL_01_015008,CC(N)Cc(c1)ccc(c12)c3c(C2)cccc3CC(C)N -MOL_01_015009,Cc(c1)cc(n12)nc(C)c(c2C)CCC(=C)NCCc3nccn3C -MOL_01_015010,NC(O)c1ccccc1Nc2cccc(c2)CCc(n3)ccc(c34)cccc4 -MOL_01_015011,c1ccnc(c12)ccc(c2)C(=O)CCCCc3ccc(C(F)(F)F)cn3 -MOL_01_015012,CCc1ccc(C(=O)C)cc1CC(C2(C)C)C(C)(C)C(=O)N=N2 -MOL_01_015013,CCCCNc1ccccc1C(O)NC(CC)c2ccccc2 -MOL_01_015014,C=C(O)c1cc(ccc1Cl)C(=O)C2CCC(CC2)c3ccccn3 -MOL_01_015015,CCCC(=O)CN(C(=O)C1)C(=O)C1(Nc2ccccc2)Nc3ccccc3 -MOL_01_015016,Nc1cc(ccc1)C(=C)NC2=NCCCN2c3ccc(cc3)CCN -MOL_01_015017,c1ccccc1C(=N)c2cc(Cl)cc(c23)C(CC3)C(=N)O -MOL_01_015018,CC(=O)Nc1ccc(Cl)c(c1Cl)CCc2cccc(c23)cncc3 -MOL_01_015019,C1CCCCN1c2ccc(=O)n(n2)CNCc3cccc(Cl)c3 -MOL_01_015020,C1COCCN1c2cc(N)cc(c2)-c3ccc(cc3)-c4ccc(cc4)C(N)OCc5ccccc5 -MOL_01_015021,CC1CN=C(C1)c2cccn2Cc3ccc(N)cc3N -MOL_01_015022,NCCn1c(N)c(cc1C)C(O)NCCC2CCCCC2 -MOL_01_015023,N=C(N)c1cc(ccc1)NC(=N)COc2ccc(cc2)C34CC5CC(C3)CC(C5)C4 -MOL_01_015024,Cc1ccc(cc1C(C)O)NC(O)CCc(c2)ccc(c23)c(C)cc(c3)O -MOL_01_015025,c1ccccc1NC(O)C2CCN(CC2)c3c(F)cncc3F -MOL_01_015026,Cc1cc(C)cc(c1)C(=N)C2(CCCC2)NC(=N)c3cccc(CN)c3C -MOL_01_015027,Nc1cccc(c12)ccc(n2)CN(CCN)CCCC3CCN(CC3)Cc4ccccc4 -MOL_01_015028,CCCn(c1=N)ccc(c12)cc(cc2Cl)CCc3cccnc3 -MOL_01_015029,Cc1cc(C)c(c(n1)C)CNC(O)c2ccn(c2C)Cc3ccccc3 -MOL_01_015030,c1ccccc1-c2cc(N)n(n2)CN3CCC(CC3)N4CCCCC4 -MOL_01_015031,CCCCC(=O)CCC1=C(CN)C(CC(=O)C1)c(c2)ccc(c23)CCC3 -MOL_01_015032,COc1cc(O)c(C(C)O)c(O)c1C -MOL_01_015033,c1cccnc1C(N)N(C)C(=N)CN2CCN(CC2)c3ccccn3 -MOL_01_015034,Fc1ccc(cc1)NC(N)c2cccc(c23)CN(C3N)CC4CCCC4 -MOL_01_015035,CCCC(=O)C(C)Cc1cccc(c12)c(=O)n(cc2)CC(=O)NCCc3ccccc3 -MOL_01_015036,NCc(cc1)cc(c12)CC(N)=C(CN)C2c3cccc(c3)CN -MOL_01_015037,C=C(O)c1cnc(N)n1CCn2cnc(c2)NCc3ccccc3Cl -MOL_01_015038,N1=NC(N)N=NC1(C)c(c2)cnc(c23)cccc3 -MOL_01_015039,CC1CCN(CC1)CCCC(=O)c2cc(Cl)c(N)cc2CN -MOL_01_015040,CN1CCC(CC1)Oc(c2)ccc(c23)cc(c(c3)N)-c4cccc(c4)CN -MOL_01_015041,C1CCNCC1N(CC)C(=N)c2ccccc2OCc3ccccc3 -MOL_01_015042,Cc1ccccc1NC(=N)CN(CCC)C(=N)c2ccc(cc2)N3CCCC3=N -MOL_01_015043,NCCc1c(CN)c(N)nc(c1CN)Nc2ccccc2 -MOL_01_015044,CC(=O)c1ccc(cc1)N2CCC(CC2)CC(=O)N3CCN(CC3)C4CCC4 -MOL_01_015045,CCC(=N)N(CC1)CC1(C(=N)N)Cc2ccccc2-c3cccc(C)c3 -MOL_01_015046,CCCNC(O)Nc(c1)ccc(c12)c(O)cc(n2)NC(C)C -MOL_01_015047,Cc1cc(C)c(c(O)c1)C(O)Cc(c2)ccc(c23)CCC3 -MOL_01_015048,CCCc(n1)cnc(c12)nc(N)nc2C -MOL_01_015049,C1C(C2)CC(C3)CC1CC23C(=N)N4CCN(CC4N)c5ccccn5 -MOL_01_015050,Cc1nccn1CC2(CC2)c3ccc(CN)c(c3)CC4CCCC4 -MOL_01_015051,C1CCCc(c12)ccc(c2)C(O)N(CC)CC(O)Nc3c(F)cccc3F -MOL_01_015052,CC(C)CC(O)Cc1nc(cc(c12)cccc2)C(O)N3CNNC3 -MOL_01_015053,C1CCc(n12)ccc2NC(=O)CCc3cccnc3 -MOL_01_015054,Cc1ccccc1NC(O)N(C)c2ccnc(n2)NC(C)CCN -MOL_01_015055,Cc1cc(nc(n1)C)C2CCC(C2)Cc3cccc(N)c3N -MOL_01_015056,NCc1ccc(cc1)Cn2cc(O)cc2-c3ccccc3 -MOL_01_015057,c1cccc(c12)c(O)n(c2)Cc3ccc(cc3)C(O)N4CCCCC4 -MOL_01_015058,CC(=N1)CCCC1(C)c2cc(CCC(N)N)ccc2N -MOL_01_015059,CNC(O)c1cccc(c1)Nc2ncnc(n2)N3CC(C3)Cc4ccc(Cl)c(C)c4 -MOL_01_015060,CC(=O)c1cnc(nc1N)C2CCCC2C(=O)CCc3ccc(F)cc3 -MOL_01_015061,C1CCOC1CNC(=O)c2ccc(cc2)CN(Cc3ccccn3)Cc4ccc(F)cc4 -MOL_01_015062,CCCC(=O)N1CCN(CC1)C(=O)CCC(=O)CCc2c(C)cc(C)cc2C -MOL_01_015063,C1CCCCN1C(=C)C(C)N2CCC(C2=C)NCc(c3)ccc(c34)ccnc4N -MOL_01_015064,C1COOC1CCC(=O)N2CCN(CC2)Cc(c3)ccc(c34)CCO4 -MOL_01_015065,C1CCCC1C(=O)C(Cc(n23)ncc3)CC(C2)CCc4cccnc4 -MOL_01_015066,CC(=N)C1CC(=N)N(C1)c2ccc(cc2)CC(c3ccccc3)C(=N)c4ccccc4 -MOL_01_015067,NC(O)Cc1ccc(cc1CN)-c2ccc(Cl)cc2 -MOL_01_015068,C=C(O)c1cccc(c1)C(CC(=O)CC)c2c(O)ccc(c23)cccc3 -MOL_01_015069,N=C(O)Cc1c(C)n(nc1C)Cc2ccc(cc2)CC(=N)C(C34)C5CC(C3)CC(C4)C5 -MOL_01_015070,n1ccn(c12)c(cc(n2)C)Cc3cc(N)ccc3N -MOL_01_015071,CCCc1ccc(cc1)NC(N)CCC(N)c2ncc(Cl)c(Cl)c2Cl -MOL_01_015072,Cc1cccc(c1)C(N)Oc2cccc(c2N)C3CCNCC3 -MOL_01_015073,c1cccc(n12)ccc2C(CCC)NC(O)c3ccccn3 -MOL_01_015074,Cc1cc(C)c(c(C)c1)NC(=O)CCCCC(=O)C2=NCCCC2 -MOL_01_015075,c1ccccc1C2N=C(C)N=C(C2)c3cc(Cl)ccc3N -MOL_01_015076,C1CCCCN1CCN(C)C(=N)N(CC2)CCC23c4c(C(C3)=N)cccc4 -MOL_01_015077,CC(C)CN(C1)C(N)CC12CCN(CC2)C(N)c(n3)cn(c34)cccn4 -MOL_01_015078,C=C(O)c1ccccc1C(=O)NC(=O)Nc2ccc(cc2)Cc3ncccn3 -MOL_01_015079,c1cccnc1NC(O)CC(C2)CCc(c23)cccc3 -MOL_01_015080,Nc1cccc(n12)nc(c2)CNC(=O)N3CCC(CC3)CNC4CC4 -MOL_01_015081,C1CCCC1CNC(O)c2ccc(nn2)NC(O)N(C3)Cc(c34)cccc4 -MOL_01_015082,NCc1ccccc1-c2cncnc2CCc3cccnc3 -MOL_01_015083,Nc(c1)cc(N)c(c12)C(n3ccnc3)c4c(CC2)cccc4 -MOL_01_015084,C1CCCC1C(N)CCc2n(CN)c(nn2)NCc3cccc(N)c3 -MOL_01_015085,CCCC1=NN(C)N(C)C(=N1)C2=NC(CCC)=NN(CN)N2C -MOL_01_015086,c1cncn1C(C(C)(C)C(N)CC)c2ccc(cc2)Cc3ccc(OC)cc3 -MOL_01_015087,Cc1ccccc1CCCCC(N)CC(C)c2nnc(n23)CCC3 -MOL_01_015088,Nc1cc(ccn1)Cc2ccc(cc2F)NC(=O)NC(=O)Cc3ccc(F)cc3 -MOL_01_015089,NCc1cc(CN)c(nc1N)CCC(O)NCc2ccc(F)cc2 -MOL_01_015090,NCc1ccccc1N2CC(C)N(CC2)C(O)CCCC3CC3 -MOL_01_015091,OC1C(=C)C(O)Cc(c12)cc(cc2)-c3ccc(N)cc3 -MOL_01_015092,c1ccccc1CCC2CCC(CC2)c3cncc(n3)-n4cccn4 -MOL_01_015093,CNC(N)N(CC)C1CCN(CC1)CCC(c2ccccc2)CN(C)Cc3ccccc3 -MOL_01_015094,c1cccnc1N(C)C(N)c2ccc(CN(F)F)c(c2)CCC3CC3 -MOL_01_015095,Cc1cc(N)ccc1C2CCC(=N2)c3c(N)cccc3N -MOL_01_015096,CC(C)CNC(C(=O)O)CCCCNC(=O)OC1c(cccc2)c2c(c13)cccc3 -MOL_01_015097,NCc1ccc(cc1CN)C(C)C2C(=C)N(CCC2)Cc3ccccc3 -MOL_01_015098,CCn1cnc(c1)C(C(C)O)Cc2ccc(C)nc2 -MOL_01_015099,NCc1ccccc1NOc(c2)ccc(c23)c(N)c(c(o3)=O)N -MOL_01_015100,CCCCNC(=O)Cn(c1=O)ccc(c12)c(ccc2)CC(C)C(=O)CCC -MOL_01_015101,Cc1ccc(cc1N)CC(N)c2ncc(C(C)N)cc2Cl -MOL_01_015102,Cc1nc(C)c(C(O)CN)c(n1)CCc2ccc(CN)cc2 -MOL_01_015103,CCCC1CC(N)C(N)=C1Cc2ccccc2C -MOL_01_015104,C=C1C=C(CN1)c2ccc(cc2)CC(C(=C)N)NC(=C)C(Cc3ccccc3)NC(=C)c4ccccc4 -MOL_01_015105,CCc(c1)c(CC)cc(c12)CCN(C2)C(N)CCc3ccc(CN)cc3 -MOL_01_015106,c1ncncc1CCC(O)Nc2ccc(cn2)-c3ccccc3 -MOL_01_015107,CC(C)(C)c(n1)cc(n12)nc(cc2C)CCN -MOL_01_015108,c1ccncc1CN(CCN(C)C)C(=N)c2ccn(n2)-c3ccccc3 -MOL_01_015109,C=C(C)c1cnn(c1)-c2ccc(cn2)CCCc3cc(CN)cc(c3)CN -MOL_01_015110,CCCc1ccccc1CNc2nnc(C)c(C)c2CN -MOL_01_015111,c1ccnnc1NC(=O)N2CC(C2)Cc3ccc(cn3)-c4ccccc4 -MOL_01_015112,Cc(n1)nc(C)c(c12)c3c(cc2)n(cc3)CN -MOL_01_015113,NCc1ncc(cc1C(=C)N)NCc2ccc(F)cc2 -MOL_01_015114,CC(=N)NC(C)c1ccc(cc1)C2CN(C2)c3ccnc(c3)CCC4CC4 -MOL_01_015115,CCC1CCCN1C(=O)Nc2cccc(c2)-n3nc(N)cc3N -MOL_01_015116,CCc1cccc(c1)NC(=O)CC(C)C2=NCc(c23)cccc3 -MOL_01_015117,C1COCCN1C2=C(N)C(N)=C2CCC3CCC(CC3)C(N)CCc4ccc(F)cc4 -MOL_01_015118,C1CC1n2cnnc2CNC(=C)c3ccccc3Cc4cccnc4 -MOL_01_015119,Fc1ccc(cc1)CNC(C)C(=O)Nc2cc(ccc2Cl)CN3CCCCC3 -MOL_01_015120,CCC(N)c1cccc(c1)CCCC(N)N(C2)CCc(c23)cccc3 -MOL_01_015121,CC1CCC(=N1)c2cccn2Cc3ccccc3N -MOL_01_015122,NCC(=C)c1ccc(cc1)CN2C(=C)CCC2Cn3ccnc3 -MOL_01_015123,C=C(C)c1ccc(cc1)CCCCCc2c(C)nc(C)nc2N -MOL_01_015124,Cc1ccccc1CC(N)c2cccc(c23)nccn3 -MOL_01_015125,FC(F)(F)c1ccc(cc1)C2(CCC(N)C(N)O)c(cccc3)c3Oc(c24)cccc4 -MOL_01_015126,Cc1ccc(C)c(c1)NC(O)c2cn(nn2)Cc3ccccc3F -MOL_01_015127,CCc(c1C)c(N)cc(c12)cc(cc2)OCc3ccccc3C(CON)C(N)ON -MOL_01_015128,CCCCCNc(c1)cc(n12)nc(C(F)(F)F)cc2O -MOL_01_015129,Cc1ncc(c(n1)C)C(=O)c2cc(CN)c(CN)cc2C(C)C -MOL_01_015130,CCc1cccc(c1)C(N)NCCN2CCN(CC2)c3ccccc3CC -MOL_01_015131,Clc1cc(cc(n1)Cl)NC(=O)CC(Cn2ccnc2)c3ccc(Cl)cc3 -MOL_01_015132,Nc(c1)cc(N)c(c12)n(CCNCl)c3c(c2=O)cccc3 -MOL_01_015133,NCc1ccc(cn1)Cc2ncc(Cl)cc2NCc3ccc(Cl)c(Cl)c3 -MOL_01_015134,c1cccc(c12)cc(CC)c(c2N)C(CC(C)N)c3ccccc3 -MOL_01_015135,NCc1ccc(CN)c(c1)NC(=O)NC(C(=O)O)Cc2ccccc2 -MOL_01_015136,C=C(C)c1c(N)ccc(c1N)CCCC(C)C -MOL_01_015137,CCCCc1ncnc(c1-c2ccc(N)cc2)CCc3ccc(C(N)(N)N)cc3 -MOL_01_015138,NCCn1c(CN)ccc1-c(c2)ccc(c23)cc(N)cc3 -MOL_01_015139,Clc1ccc(cc1)COc2ccc(C(N)O)cc2NC(N)c3ccccc3 -MOL_01_015140,CCCC(N)N1CCN(CC1)CCCCc2ccc(cc2)-c3ccncc3 -MOL_01_015141,c1ccccc1C2N=NC(c3ccco3)=Nc(c24)cccc4 -MOL_01_015142,c1cccc(c12)C(N)C(C2N)c3cc(F)cc(c3)Cc4cccnc4 -MOL_01_015143,Cc1cccc(c1)C(=N)N(C2)CCC(C23)CN(CCC3)c4ncccn4 -MOL_01_015144,c1cc(N)nc(c12)ncc(c2C)C(N)NCc3ccccc3 -MOL_01_015145,CC1CN=CCc(c12)n(cn2)CCCCCCCN -MOL_01_015146,c1ccccc1CNC(=N)c2ccc(cc2)Cn3cc(C(F)(F)F)ccc3=N -MOL_01_015147,Clc1cc(F)ccc1NC(N)c2cc(OC)c(cc2)OCC(N)N3CCOCC3 -MOL_01_015148,Cc1ccc(O)n1CC(O)CCC(O)Cc2ccc(F)c(F)c2F -MOL_01_015149,CC(=O)c1ccccc1Cc(n2)nc(C)c(c23)ccc(Cl)c3 -MOL_01_015150,NC(O)c1ccccc1C2=Nc(ccc(c3)O)c3Cc(c24)cc(O)cc4 -MOL_01_015151,CC(O)c1cnn(c1)-c2ccc(c(c2)CN)C3CCCC3 -MOL_01_015152,c1ccccc1Cc2nnc(n2CC)CCC(=O)Nc3ccc(CN)cc3 -MOL_01_015153,NCc1ccccc1CCCNC(=O)c(c2)ccc(c23)CCC3 -MOL_01_015154,COc(c1)cc(OC)c(c12)c(cc(c2)N)-c3cccc(c3)-c4ccc(CN)cc4 -MOL_01_015155,CN(C1)C(O)CC12CCCN(C2)Cc3ccccc3CCC(O)O -MOL_01_015156,Cc1ccc(cc1)-n2nnnc2CCc3nc(N)cc(n3)O -MOL_01_015157,Cn1cc(cn1)C(CC2)CC23CCN(CC3)C(N)c4cccn4C -MOL_01_015158,CCc1ccc(cc1CC)C(N)N2CCC(CC2)C(N)Nc3cccc(C)c3 -MOL_01_015159,Clc1ccc(cc1)C(C(C)=C(CN)C(N)C2)C23CCCCC3 -MOL_01_015160,Cc1nccnc1CC2CCCN(C2)Cc3ccccc3CN -MOL_01_015161,N=C(O)C(N)CC(=N)NC(c1ccccc1)(c2ccccc2)c3ccccc3 -MOL_01_015162,CCc1cccc(c1)C(=O)c2ncc(C(N)(N)N)cc2N -MOL_01_015163,Oc1ccc(cc1)CCC(O)COc2ccc(cc2)-c3ccccc3 -MOL_01_015164,c1ccccc1CN2C(=C)C=CC(=N2)C(=C)CCC(=C)N(CN)C3CCCCC3 -MOL_01_015165,CC(=O)C(C1)CCc(c12)ccc(c2)NC(=O)CCCCC3C=CCC3 -MOL_01_015166,NCc1ccc(cc1)CN2CCCN(CC2)CCC(N)(c3ccc(Cl)cc3)c4cccc(N)c4 -MOL_01_015167,CCCC(O)c1cnc(nc1O)-c2ccc(CC)cc2CC -MOL_01_015168,CCCC(O)N1CCN(CC1)C2=C(O)C(O)=C2N3CC=C(CC3)c4ccccc4 -MOL_01_015169,CC(=O)C1CCC(CC1)C(=O)CCCCCN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_015170,CCc1ccc(cc1CC)CCC2CC(O)CC(O)C2 -MOL_01_015171,NCc1cc(ccc1)NC(=C)CN2CCN(CC2)Cc(c3)ccc(c34)CCCC4 -MOL_01_015172,c1cccc(c12)cc3c(c2)C(N)C(=CC3N)Cc4ccc(Cl)cc4F -MOL_01_015173,C=C(O)c1ccc(c(c1)C(=O)C)NCc2cnccn2 -MOL_01_015174,NCc1ccc(cc1)CN2CCCC(C2)CCc3cccnc3 -MOL_01_015175,CC(O)Cc1ccc(cc1)CC(O)CCc2ncnc(c23)cccc3 -MOL_01_015176,CCOc1ccc(cc1)-c2ccc(cc2)C(N)N(C3CC3)C4CCN(CC4)C(N)OC(C)(C)C -MOL_01_015177,Cc(c1)ccc(c12)C(O)c3c(C2O)nc(C)c(n3)C -MOL_01_015178,Clc1cc(ccc1)NC(O)CCN2CC(N=N2)c3ccccn3 -MOL_01_015179,Cc(c1)c(C)cc(c12)nc(N)c3n2cc4c3cccc4 -MOL_01_015180,CC1(C)N=C(C(=C)C1(C)C)c2ccc(N)cc2N -MOL_01_015181,CCNC(O)c1ccc(cc1CC(C)C)-c2ccc(cc2)CCNCC(O)c3cccc(N)c3 -MOL_01_015182,Cc1ncc(n1CN)-c2ccccc2 -MOL_01_015183,C1CC1C(=O)Cc(nc2)cc(c23)ccc(c3)CC4CCCCC4O -MOL_01_015184,C1NNNCC1Cc2cn(C)c(c2)C(=O)Cc3ccc(C(N)N)cc3 -MOL_01_015185,CCCc1ccccc1NC(=N)C(NCCN(C)C)c2ccccc2 -MOL_01_015186,CC1=NC(CC1)CC(C)Cc2ccc(N)cc2N -MOL_01_015187,Cc1cc(n(n1)C)C(O)NCc2ccc(C(C)O)c(n2)C -MOL_01_015188,CCCCC(N)c1cccc(c12)C(N)c3c2cccc3 -MOL_01_015189,CC(C)c1ccc(cc1)-n2nccc(c2=O)Cc3ccc(CN)cc3 -MOL_01_015190,Cc1cc(CN)c(C)c(c12)C(N)N(C2)c3cccc(c3)C(C)N -MOL_01_015191,CC(O)Cc1ccc(cc1CC(C)O)-c(c(O)c2)cc(c23)cccc3 -MOL_01_015192,CCC(C)c1ncnc(c12)CCC(CC2)C(=O)C3CCCC3 -MOL_01_015193,C=C(C)c1ncccc1CCC(=O)CC(N)c2ccc(Cl)cc2Cl -MOL_01_015194,CCCCCC(N=1)=NC(=O)C(C12)=C3C(=C2)CCCC3 -MOL_01_015195,C=C(C)c1cn(c(n1)C(C)O)Cc2ccccn2 -MOL_01_015196,NC(N)CCC(N)c1cccc(c12)C(N)c3c2cccc3 -MOL_01_015197,COc1ccc(C(=O)C)cc1CONC2CCCc(c23)cccc3 -MOL_01_015198,c1ccncc1C(C)N(C)C(N)CCCCc2ccc(CN)cc2 -MOL_01_015199,CC1(C)CCC(C1)CNC(O)c2cnn(c2N)-c3ccc(Cl)cc3 -MOL_01_015200,C1CCCN(C12)CCN(C2)C(=N)CCc3ccccc3-n4cccn4 -MOL_01_015201,CCCCCN(C(=O)C1(C)C)C(C)(C)N1N -MOL_01_015202,NCc1ccc(cc1)NC(=C)CNC(=C)c2c(C)nn(C)c2Cl -MOL_01_015203,Cn1nc(C(N)N)c(c1Cl)CNCc(c2)ccc(c23)CCCC3 -MOL_01_015204,NCc1c(C)cc(cc1)NC(=C)CN2C=CN(C(=C)C2=C)Cc3ccccc3 -MOL_01_015205,ClCc1ccc(cc1)C(N)Nc2ccccc2OC(N)c3ccc(CCl)cc3 -MOL_01_015206,CC(C)(C)CNC(=N)C1(C)CCN1C(=N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_015207,CCC(C1O)=CC(O)c(c12)c(CC)cc(c2)CC -MOL_01_015208,CC(O)C(C=1N)=CC(C12)=NC=C2CCCN3CCCCC3 -MOL_01_015209,CC(=O)c1cc(CN)c(cc1Cl)CC(=O)Cc2cnc(cn2)CN -MOL_01_015210,CC(C)Cc1ccc(cc1)CN2CCCC(C2)NC(=N)c3ccnn3C -MOL_01_015211,NCc1ccc(Cl)c(c1)-c2cccc(c2)NC(N)c3c(F)cccc3F -MOL_01_015212,c1ccccc1CCC(=O)Cc(n2)ncc(c23)C(=O)CCC3 -MOL_01_015213,NCc1ccc(cc1)C(=N)Cc2cccc(c2)-c3cccc(c3)CN4CCC(O)CC4 -MOL_01_015214,c1cccc(c12)C(N)C(=C(Cl)C2N)Cc(c3)ccc(c34)CCC4 -MOL_01_015215,COc1ccc(cc1)C(N(C)C)CNC(=N)C2CC(=N)N(C2)Cc3ccc(C)cc3 -MOL_01_015216,CC(=O)C(C)(N)Cc1ccc(C)c(C)c1 -MOL_01_015217,NCCc(n1)c(CCN)nc(c12)cc(Cl)c(c2)NNC3CC3 -MOL_01_015218,CC(=O)c1ccnc(c1)NC(=O)CCc2ccc(cc2)C34CC5CC(C3)CC(C5)C4 -MOL_01_015219,CCCc1ccc(cc1)C(N)NCC2(CCCCC2)N3CCCCC3 -MOL_01_015220,Cc1ccc(cc1)C2C(CN)=C(N)Cc(c23)cc4c(c3)CCC4 -MOL_01_015221,NOc1cccc(c1)N2CCN(CC2)CCCCCC(=O)c3ccccn3 -MOL_01_015222,Cn1cccc1C(N)NCC(c2ccc(F)cc2)N3CCCCC3 -MOL_01_015223,CC(=O)c1cc(ncn1)-c2ccccc2 -MOL_01_015224,CCc1cc(N)c(Cl)cc1C(=O)CCCN2CCCC(C)C2 -MOL_01_015225,Cc1ccc(Cl)cc1NC(O)CN2CCN(CC2)CN3CCC(C)CC3 -MOL_01_015226,C1CCc(c12)nc(nc2C)CCc3ccccc3N -MOL_01_015227,CNC(O)c1cccc(c1)Nc2ncnc(n2)N3CC(C3)Cc4c(F)cccc4F -MOL_01_015228,NC1CC(C)(C)Cc(c12)ccc3c2ccc(c3)N -MOL_01_015229,Nc1nccnc1C(=C)CCC(=C)N(CC)c2cccc(c23)cccc3 -MOL_01_015230,c1ccccc1CNC(=C)Nc2ccccc2C(=C)CN -MOL_01_015231,CCC(O)CCC(O)Cc1cc(N)cc(N)c1 -MOL_01_015232,COc1cccc(c1O)CC2C(=O)NC(C)NC2=O -MOL_01_015233,CCc1cccc(c1)NC(=O)CCc2ccc(cc2)C(=O)N3CCN(C)CC3 -MOL_01_015234,Cc1ccc(c(C)c1)COc2nccc(c2N)C3CCNCC3 -MOL_01_015235,CN1CCN(CC1)C2(CCCCC2)CNC(=N)c3ccccc3Cl -MOL_01_015236,C=C(O)c1cc(ccc1C)C(=O)C2CCCC(C2)C(=O)CCC -MOL_01_015237,c1ccccc1C(C)CC(=N)C2CCC(=N)N2Cc3ccccc3Cl -MOL_01_015238,Cc(c1)ccc(n12)nc(cc2=O)CCC(=O)C34CC5CC(C3)CC(C)(C5)C4 -MOL_01_015239,NC(N)(N)C(=C)N(C1)CCc(c12)ccc(c2)C -MOL_01_015240,c1ccnc(c12)nc(nc2O)CCCCc3ccc(F)cc3 -MOL_01_015241,CCC(=O)c1ccc(cc1C)N2C(=O)C=CC2=O -MOL_01_015242,Cc1ccccc1NC(N)C2CCN(CC2)C(N)c3ccc(CN)c(c3)CN -MOL_01_015243,O=Nc1c(O)c(C)cc(c12)c(N)cc(o2)=O -MOL_01_015244,NCc1ccc(nn1)-c2cccc(c2)-c3ccn(n3)CC4CCCCC4 -MOL_01_015245,CCNc1ccc(cc1)C(N)NC(CN(CC)CC)c2cccc(c23)cccc3 -MOL_01_015246,CCOC(=O)c1cc(C(C)(C)C)nc(CC)c1CN -MOL_01_015247,C1CCCCC12C(=C(C)C(C2)N)C(N)Nc3cc(Cl)ccc3C -MOL_01_015248,C1C(C2)CC(C3)CC1CC23C(=N)N4CCN(CC4)c5ccccn5 -MOL_01_015249,NOc1ccc(cc1)Cc2nc(C)nc(c2)C3CCC(C(=O)N)CC3 -MOL_01_015250,CCCC(=O)CCC(=O)C1CCCC(C1)C(=O)c(c2)ccc(c23)CCC3 -MOL_01_015251,Fc1ccc(cc1)CCC(=O)CCC(=O)c2cccnc2Cl -MOL_01_015252,CCC(=O)CNC(=O)CNC(=O)CCCC(CC)Cc(c1)ccc(c12)CCC2 -MOL_01_015253,C1CC1N2CCN(CCC2)C(=N)C3CC(CN3)Oc4ccc(CN)cc4 -MOL_01_015254,CC1CCC(CC1)c2cc(cc(n2)N)-c3ccc(CN)cc3 -MOL_01_015255,CCCN1CCN(CC1)C(C)c2ccc(cc2)NC(C)N(C3)Cc(c34)ccc(c4)CN -MOL_01_015256,CCCc1nc(cc(N)c1CN)C(C)NCc2ccncc2 -MOL_01_015257,On1n(O)n(N)oc(c12)cccc2O -MOL_01_015258,Cc1nc(CC(C)C)c(CN)cc1C(=O)CN -MOL_01_015259,NCc1ccc(N)cc1-n2cccc2CCC3CCCC3 -MOL_01_015260,CC(C)Cc1ccc(c(N)c1N)-c2ccccc2CCC=N -MOL_01_015261,Clc1ccc(cc1)CC(=N)c2ccccc2Cn3ccc(c34)cncc4 -MOL_01_015262,C=C(C)CCc1nnc(n1-c2ccccc2)CCc3ccccc3CN -MOL_01_015263,CCc1nccn1CCCCN(C2N)C(N)c(c23)cccc3 -MOL_01_015264,c1cccc(c12)ccnc2C(C3N)C(N)c(c34)cccc4 -MOL_01_015265,Clc1ccc(cc1)NC(=C)Cc2nnc(n2CC)CCC(=C)N3CCCCC3 -MOL_01_015266,NCc(cc1)cc(c12)C(=NCC(N)=C2C)c3ccccc3 -MOL_01_015267,CCc1nc(nc(N)c1N)-c2ccccn2 -MOL_01_015268,Cc1ccc(nc1)CC(O)c(c2)ccc(c23)nc(C)c(n3)C -MOL_01_015269,CC(C)(C)c1ccccc1CC2CCN(CC2)C(N)c3ccccn3 -MOL_01_015270,NCc1ccc(cc1)CC(=N)N(CC)C2CCN(CC2)CCC(c3ccccc3)c4ccc(N)cc4 -MOL_01_015271,NCC1=C(N)CC(CCCC2=O)=C2C13CCN(CC3)C(=O)CCc4ccccc4 -MOL_01_015272,NCc1ccc(cc1Cl)NC(=O)N2CCNCC2NCc3cccnc3 -MOL_01_015273,c1ccccc1CC(C(=N)C(=N)N)NC(=N)c2ccccc2-c3ccccc3 -MOL_01_015274,CCCc1ccc(cc1N)C(=O)Nc2ccc(Cl)nc2 -MOL_01_015275,CC(=O)Nc1ccc(cc1)C(=O)CCC(=O)c2cccc(c2)CN -MOL_01_015276,CC(C1)C(C)=Nc(c12)c(N)nc(n2)N -MOL_01_015277,Cc1c(C)ccc(c12)cc(nc2)C(=O)CN -MOL_01_015278,FC(F)(F)c1ccccc1CC(N)Nc2ccc(cc2)CC3=CC(N)OC3 -MOL_01_015279,Clc1ccccc1C(C)c2ccnc(n2)Nc3ccc(CN)cc3 -MOL_01_015280,Cc1ccc(cc1)C(O)C2(CCCC2)NC(O)c3cccc(CN)c3C -MOL_01_015281,CN(C)CCCc1ccc2C(N)N(C(N)c(c2c13)ccc3)CCCN(C)C -MOL_01_015282,OCC12C(CCC1)Cc3c4c(cc(OC)cc4)c5c(c3C2)cc(OC)c(c5)OC -MOL_01_015283,CCc1ccc(nc1)N2CCC(CC2)CC(N)N3CCN(CC3)C4CCC4 -MOL_01_015284,c1cocc1C(N)N2CCC(CC2)CCc3ccccc3-n4ccnc4 -MOL_01_015285,c1ccccc1C(O)(c2ccccc2)CC(N)CC(N)c3ccccc3 -MOL_01_015286,Nc1ccc(cc1C)C(N)c2cccc(n2)-c3ccccc3 -MOL_01_015287,Cc1cc(C)c(c(C)c1)NC(O)NC(C2)CCc(c23)ccc(c3)CN -MOL_01_015288,C1COCCN1Cc2cc(ccc2OC)CCC(N)NC3CCCCCC3 -MOL_01_015289,Cc1ccc(cc1)CN2C=CNC(=O)C2CC(=O)NC3CCCCC3 -MOL_01_015290,NCc1cc(ccc1)CCCC(=C)N2CCCC(C2)n3ccnc3N -MOL_01_015291,CC(=O)CC(C(N)N)C(=O)CCc1ccc(nc1)N2CCCC2 -MOL_01_015292,NCc1c(CN)cc(cc1CN)Cc2cc(ncn2)Cc3c(Cl)ccc(c34)CCC4 -MOL_01_015293,C1CCCC1(CC(=O)C)CC(=O)Nc2cnccc2CN -MOL_01_015294,CNN1CC(NC1N)n2ccc(C)nc2=O -MOL_01_015295,Cn1ccc(c12)cc(cc2)C(N)CC(N)N -MOL_01_015296,c1ccccc1C(C2N)=C(C(N)c(c23)cccc3)c4ccccc4 -MOL_01_015297,C=CNc1cc(n(C)c1)C(=C)Nc2cc(n(C)c2)C(=C)Nc3cc(n(C)c3)C(=C)CN -MOL_01_015298,Nc1cc(N)nc(n1)-n2nc(N)cc2-c3ccccc3 -MOL_01_015299,CC(O)CCCCCn1cnc(c12)C(C)CN=CC2 -MOL_01_015300,Cc1nn(C)c(c1Cl)C(O)NCc2ccccc2C(F)(F)F -MOL_01_015301,CC1CCCC1CCc2cc(N)cc(N)c2 -MOL_01_015302,c1ccccc1C(=N)NCCC(=N)NCC2CCN(CC2)Cc3ccc(Cl)cc3 -MOL_01_015303,NCc1ccc(cc1)CCCc2ncn(c23)c(=O)n(cn3)CCCl -MOL_01_015304,CCCCCC(C1=O)Cc(c12)nnnc2C(=O)C -MOL_01_015305,NCC(O)c1cccnc1Cc2ccccc2 -MOL_01_015306,C1CC1NC(=O)c2cccc(c2)Cc(n3)ccc(n34)nnc4 -MOL_01_015307,CCc(c1)ccc(c12)nc(nc2C)Cc3nc(C)cc(n3)CCN -MOL_01_015308,c1cccc(c12)CCCCC(=O)C(O)CC(CC2=O)c3ccccc3 -MOL_01_015309,[nH]1[nH][nH][nH]c(c12)nc3c(c2C)ccnc3 -MOL_01_015310,CC(=O)c1ccc(cc1)NC(=O)Cn2cnc(c2)CN3CCCCC3 -MOL_01_015311,Cc1ccc(cc1)C(N)c(c2N)c(C(C)(C)C)c(N)c(c23)cc(C)c(c3)C -MOL_01_015312,NCc1cccc(c1)NC(=O)Nc2ncccc2CCc3ccccc3 -MOL_01_015313,CC(=N)Cc1cccc(c1)-c2cc(O)cc(c2)Cc3cccnc3 -MOL_01_015314,Cc1ccc(cc1C)C(=O)CCC(=O)CNC(=O)CCc2ccccc2C -MOL_01_015315,Cc(c1)cc(n12)nc(O)c3c2nccc3 -MOL_01_015316,NCc1ccc(cc1)-n2c(nnc2C)CCC(N)CCc3ccccc3 -MOL_01_015317,Cc1ccnc(c1)NC(C)c2cc(CN)c(CN)c(c2)CN -MOL_01_015318,Cc1ccnc(c1)C(CC)NC(=N)CCNC(=N)c2ccccc2F -MOL_01_015319,C1CCCc(c12)cc(CN)c(n2)CCC(N)C3CCCCC3 -MOL_01_015320,CC(C)c1ccc(cc1)OCC(=N)Nc2cccc(c2)C(=N)Nc3ccccc3C(=N)O -MOL_01_015321,CCCCCC(=O)NCc1ccc(CC)cc1-c2ccc(cc2)Cn3cncn3 -MOL_01_015322,CC(N)c1ccccc1NC(N)N2CC(C2)Cc3ccccc3C(F)(F)F -MOL_01_015323,CCCc1ccc(cc1F)CC(N)N(CCCN)Cc2ccccn2 -MOL_01_015324,C1CCCCN1C2(C(C)=N)CCN(CC2)C3CC(=N)N(C3=N)CCc4ccccc4 -MOL_01_015325,CCCCc1ccc(cc1)CCC(=N)Cn2ncc(c23)cccc3 -MOL_01_015326,COc1ccc(cc1)CCCC2(O)CCN(CC2)C(N)c3cccc(C(F)(F)F)c3 -MOL_01_015327,NCc1ccc(cc1CC)C(N)c2c(Cl)ccc(c2N)C(C)CC -MOL_01_015328,CCc1c(C)n(c[n+]1[O-])C(=O)C2CCCCC2 -MOL_01_015329,c1ccccc1-c2ncc(ON)c(n2)Oc3ccccc3N -MOL_01_015330,NCC(=O)CNC(=O)CCC(=O)c1cc(Cl)cc(Cl)c1N -MOL_01_015331,Cc1nc(C)c(CO)c(n1)CCC2CC=CCC2 -MOL_01_015332,O=c(o1)ccc(c12)cc(C(=O)N)c(c2)ONCC34CC5CC(C3)CC(C5)C4 -MOL_01_015333,c1ccccc1C(N)NC(=C)CN(C(=C)N2)C(=C)C23CCCCCCC3 -MOL_01_015334,Cc1ccnc(c1)N(C(O)N(C)C)CCN(C(C)C)C(C)C -MOL_01_015335,c1ccccc1C(N)CCCN2CCC(CC2)NC(N)c3ccccc3 -MOL_01_015336,Cc1cc(C)cc(c1)C(N)C2(NC(N)C(F)(F)F)CCCCC2 -MOL_01_015337,c1ccccc1CC(O)NC([N+](=O)[O-])Cn2cc(nn2)-c3ccccc3 -MOL_01_015338,CCc1cccc(c1)CCC2CCCN(C2)C(O)c3cnc(C)nc3C -MOL_01_015339,Cc1nn(C)c(C)c1CN(C(C)C)C(=N)C2CCC(=N)N(C2)C3CCCCCC3 -MOL_01_015340,C1=NC(C)=NC(N12)=NCC(C2)C(=O)c3ccc(cc3)-c4ccc(C(=O)O)cc4 -MOL_01_015341,c1ccccc1-c2ccc(O)c(c2)NC(=N)c3ccc(cc3)CNCc4cccc(c4)ON -MOL_01_015342,C=CC(O)C(C)Cc(c(O)c1)cc(c12)cc(cc2)CC -MOL_01_015343,NCc1cc(ccc1)CC(=C)Nc2ccc(F)c(c2)CN3CCCCC3 -MOL_01_015344,CC(C)CCc1c(C)c(nc(n1)CN)C2CCCCC2 -MOL_01_015345,Cc1ccc(cc1C)CN2CCC(C2=N)N3CC(C3)c4ccc(O)cc4 -MOL_01_015346,C1CCCCN1CCNC(=O)Cc2ccc(cc2)NCc3ccc(Cl)c(Cl)c3 -MOL_01_015347,Cc1cccc(c1C)CC(C2N)=C(Cl)C(N)c(c23)cccc3 -MOL_01_015348,NCc1cc(ccc1)C(C)CNc2ccnc(n2)Nc3ccc(Cl)cc3 -MOL_01_015349,c1ccccc1NC(=O)Nc2ccc(cc2)Cc(n3)ccc(n34)ncc4 -MOL_01_015350,CCCCCCNC(=N)c1cccc(c1)CC2CCN(CN)CC2 -MOL_01_015351,CCCC(=O)n1cc(CC(=O)C)nc1C -MOL_01_015352,C1CCCc(c12)ccc(c2)CN(CC)C(=O)NCc3nncn3CC -MOL_01_015353,CCc(n1)nc(c12)c(C)nc(C)n2C -MOL_01_015354,CCc1cccc(c1)N2CCC(N)N2CCCC(N)c3ccc(F)cc3 -MOL_01_015355,CCc1nn(C)c(c1Cl)C(N)CCc2ccc(C(C)(C)C)cc2 -MOL_01_015356,NCc1ccc(cc1)-c2ccc(cc2F)C3CC(C(=O)N)CC3=O -MOL_01_015357,Nc1ccc(cc1)-c2cc(-c3ccccc3)cc(n2)-c4ccccc4N -MOL_01_015358,CC(=O)C1CCC(CC1)C(=O)c(c2)ccc(c23)C(=O)c4c(C3)cccc4 -MOL_01_015359,C1CCCc(c12)ccc(c2)C(CCCN)C(=O)CCC(=O)c3ccc(Cl)nc3 -MOL_01_015360,c1cccc(c12)c(nc(n2)CCC)CCC(=N)C3CCCC3 -MOL_01_015361,CC(C)NC(O)Cc(c1C)c(C)nc(n12)cc(c2)O -MOL_01_015362,Cc1cc(C)cn1C(=C)c2cc(N)cc(N)c2CN -MOL_01_015363,c1ncnn1CC(C)(C(=O)C)c2ccc(Cl)cc2Cl -MOL_01_015364,C=C(C)c1cccc(c1)C(CC(=O)NC)c2c(CC(=O)C)ccc(c23)cccc3 -MOL_01_015365,c1cccc(C2=C)c1N(c(c23)cccc3)CCCCCCN(CN)CN -MOL_01_015366,CC(N)c1ccc(cc1)CCC(N)c2ccc(cc2)-c3ccccc3 -MOL_01_015367,CCc1ccc(cc1)C(NC(=O)C)CC(=O)NNC(=O)Cc(c2)ccc(c23)CCC3 -MOL_01_015368,C1CCc(c12)c3c(cc2)CC(=O)c4c(CCN(C3)C)cc5c(c4CN)CCC5 -MOL_01_015369,NC(O)CC1(CCC1)NC(O)c2cnc(C3CC3)c(n2)CCC4CC4 -MOL_01_015370,CCc(c1)ccc(c12)C(O)C(Cl)=C(C)C2O -MOL_01_015371,c1ccccc1CCC(=O)C2CC(C2)CC(=O)N(C3)Cc(c34)ccnc4 -MOL_01_015372,c1cccc(c12)cccc2NC(N)C3CCN(CC3)C(N)Cc4ccccc4 -MOL_01_015373,C1COCCC12OC(=O)C(C2)Cc3ccc(cc3)OCC4CCCCC4 -MOL_01_015374,Cn1ccnc1-c2ccccc2C(N)c3ccc(N)cc3 -MOL_01_015375,Cc1nc(N)nc(c12)ccc3c2c(N)ccc3 -MOL_01_015376,Cc1cccc(c1)CC(C2(C)O)CCN(C2)Cc3ccnc(n3)C -MOL_01_015377,Clc1ccnc(c1)CC(N)c2nc(ncc2Cl)C3CCCC3 -MOL_01_015378,C1CCCC1NC(=N)CC2CC(C(=N)N(C(C)C)C(C)C)=C(C)N(C2=N)CCCN3CCCC3=N -MOL_01_015379,c1cccc(C(O)C2)c1CC23CCN(CC3)C(O)c4cccc(F)c4 -MOL_01_015380,c1ccccc1-c(c2C)c(N)cc(c23)ccc(c3)CC(N)N4CCCCC4 -MOL_01_015381,CNCC(=C)Nc1cc(ccc1CN)CN(CC)c2ccccc2 -MOL_01_015382,FC(F)(F)c1cnc(cn1)C(O)Cc2ccc(c(F)c2)C3CCCCC3 -MOL_01_015383,CC(=O)c1ccc(cc1)Nc2nc(cccc3)c3c(n24)ccc4 -MOL_01_015384,CNC(C)C(=O)NC(C(=O)O)NCC(C)(C)c1ccc(cc1)C2CCCCC2 -MOL_01_015385,CNC(=N)c1cccc(c1)OC(C)C(=N)N2CCN(CC2C)C(=N)c3ccccc3 -MOL_01_015386,CC1CCCC(C)N1C(=O)CCC(=O)c2ccc(cc2)CN(C)c3ccccc3 -MOL_01_015387,NCNc1ccc(cc1)NC(O)c2cc(ncn2)NC3CCCCC3 -MOL_01_015388,CC(C1)Cc(c12)cc(CN)c(c2)CNCc3ccnc(c3)-n4cccn4 -MOL_01_015389,Clc1cc(ccc1)CC2(C(=N)OCC)CCCN(C2)C(=N)CCN3CCCC3=N -MOL_01_015390,CNC1Nc2ccc(c(c2c13)c(C)cc3)N(C)Cc4ccnnc4 -MOL_01_015391,c1ccccc1NC(=C)Nc2ccc(cc2)Cc(n3)ccc(n34)ncc4 -MOL_01_015392,Clc1ccc(cc1Cl)NC(N)NC2CCN(CC2)CCCC(N)c3ccccc3 -MOL_01_015393,Cc1cccc(c1)CCc2ncc(Cl)c(n2)C(=O)Nc3ccc(F)cc3 -MOL_01_015394,COc1ccccc1C2CCN(CC2)CCCCN(C3=N)C(=N)c(c34)cccc4 -MOL_01_015395,c1ncnn1CCCC(=C)Nc2ccc(cc2C)C(=C)NC(C)CC -MOL_01_015396,Clc1ccc(cc1)C(CCN)C(=O)c2c(F)c(F)c(F)c(F)c2F -MOL_01_015397,c1ccccc1C(CN)(CCC(CN23)(ON)C(CC2)CC3)c4ccccc4 -MOL_01_015398,Nc1cc(N)c(cc1C)CCCC(C)(C)C -MOL_01_015399,C1CCNCC1C(=C)N(C2CC2)C(C)c3cc(CN)cc(c3)CCCCCN -MOL_01_015400,c1cccnc1CNCC2(C)CCCN(C2N)Cc3cccc(F)c3F -MOL_01_015401,CC(C)CC(N)c1ccc(Cl)cc1CC(N)c2ccccc2Cl -MOL_01_015402,C=C(C)c1cnc(N)n1CN(C)NCc2ccccc2N -MOL_01_015403,CC(=N1)CCCC1(C)c2cc(ccc2N)CCCC(N)(N)N -MOL_01_015404,Cc1cncc(c1)C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)N(C)CC(C)C -MOL_01_015405,CNc1ccccc1C(O)CCC(O)Nc(c2)ccc(c23)CCC3 -MOL_01_015406,NCc(c1N)ccc(c12)C(CCC2)c3cc(CN)c(CN)c(c3)CN -MOL_01_015407,Cn1cc(N)c(c12)cc3c(n2)cccc3 -MOL_01_015408,NCc1cccc(CN)c1C(=C)Nc2ccccc2C(=C)N3CCCC3 -MOL_01_015409,C1CCCCC1CNC(N)CCc2ccccc2C(N)N3CCC(C(N)N)CC3 -MOL_01_015410,CC1=CC(=O)N=C1C(=O)N(C)CCC2CCN(CC2)C(=O)CCc3cc(Cl)cc(Cl)c3 -MOL_01_015411,CCc1cc(CC)nc(n1)C(C)c2cccc(CC)c2N -MOL_01_015412,CCCNCC(O)COc1cccc(c12)c(N)c(cc2)-c3ccccc3 -MOL_01_015413,NCC(=O)c1cn(c(=O)cc1C)-c2ccccc2 -MOL_01_015414,c1cccc(c12)C(N)C(N)c3c2cc(cc3)-c4ccccc4 -MOL_01_015415,C1CCc(c12)ccc(c2)CNC(=C)CCC(=C)c3ccc(cc3)NC(=C)CCN -MOL_01_015416,Nc1ccc(cc1F)-n2ccc(c2)C(N)c3ccc(cc3)-c4ccccc4 -MOL_01_015417,c1ccccc1CNc2c(C(=O)O)cc(CN)c(c2)Cc3ccccc3 -MOL_01_015418,Cc1ccc(N)c(c1)CC(=O)C(C)(C)C(N)(N)N -MOL_01_015419,Cc1nc(C)c(nc1C)CN2CCN(CC2)C(N)c3ccccc3OC(C)N -MOL_01_015420,CC(=O)c1ccc(=O)n(c1)CC(=O)Cc2ccc(Cl)cc2N -MOL_01_015421,CC(=O)n1cc(nc1C)CC(=O)C(C)C -MOL_01_015422,c1ccccc1-c2cn(nc2N)C3NCN(CN3)Cc4ccccc4 -MOL_01_015423,CC1(C)CC(N)N(C1)c2cnc(cn2)NNc3cccc(N)c3 -MOL_01_015424,CC(N)CCC(N)CCCc1ccccc1N -MOL_01_015425,Clc1ccc(cc1)CC(CCCCC(=O)C)C2CCCCNC2=O -MOL_01_015426,CCc1cc(C)c(cc1N)Cc2cccnc2N -MOL_01_015427,c1cccnc1NC(=O)c2ccc(cc2)N(C3)Cc(c34)cccc4 -MOL_01_015428,CCCC(=C)Nc1ccc(cc1)CNc2cc(CN)nc(n2)CN -MOL_01_015429,CC(C)Cc1ccc(cc1)CN(CC2)C2(C)C(=N)Nc3cccc(c3)CN -MOL_01_015430,CCC1(C)CCC(C1)n2cc(N)c(C)nc2=O -MOL_01_015431,Cc1c(C)c(C)c(C(=O)O)c(c1C)Nc2ccccc2N -MOL_01_015432,CCCC(N)CCc1ccc(c(Cl)c1Cl)C(N)c2cccc(c2)CN -MOL_01_015433,CCCn1nc(C)c(c1C)C(N)c2ccccc2N -MOL_01_015434,C=C(O)c1ccn(n1)CC(O)C2CCCc(c23)cccc3 -MOL_01_015435,c1ccccc1C(CC)c(c2O)c(N)cc(c23)cccc3 -MOL_01_015436,NCC(N)c1c(C)c(c(Cl)cc1)C(=O)c2ccccc2 -MOL_01_015437,C1CCCCN1C(=N)C(N)CC(Cc2ccccc2)NCc3ccc(Cl)cc3 -MOL_01_015438,c1ccccc1CCNC(=N)C2(C)CCN2C(=N)Cc3ccc(cc3)-c4ccccc4 -MOL_01_015439,c1cccc(c12)c(N)n(c2)CC(N)Cc3ccc(F)cc3 -MOL_01_015440,C1CC1C(=O)NC(C)Cc2ccc(cc2)CCc3cnc(CN)nc3CN -MOL_01_015441,NCc(c1)ccc(c12)c3c(CCC2C)cc(CN)c(CN)c3CN -MOL_01_015442,c1cccc(c12)c(nnc2C)CC(=O)CCC(=O)c3ccccc3Cl -MOL_01_015443,FC(F)(F)CCc1ncc(cc1)C(=N)NCc2ccc(cc2)C3CCCNC3 -MOL_01_015444,C1CNCCN1CCNC(=O)Nc2ncccc2CCc3cccc(Cl)c3 -MOL_01_015445,NCc1ccc(cc1)CCC(C)(N)C(O)Nc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_015446,OC(O)CC(C1(C)C)NC(C1)c2ccccc2C(O)O -MOL_01_015447,Nc1cccc(c1)-c2ccc(cc2)CNc3ccnn3-c4ccccc4 -MOL_01_015448,c1cccc(c12)cc(O)n2CCC(O)Nc3cccnc3 -MOL_01_015449,C1COCCN1C(c2ccc(C)cc2)CNC(N)c3cccc(c3)CNc4cccc(C)c4 -MOL_01_015450,CCc1ccc(cc1C)CN2CCCC(=O)C2NC(=O)CCC3NCCCN3 -MOL_01_015451,c1cncn1-c2nc(C)cc(n2)C(C)NCCCCc(c3)ccc(c34)CCC4 -MOL_01_015452,Cc1ccc(cc1)-c2ccc(nn2)CCc3c(N)cccc3N -MOL_01_015453,c1ccncc1C(CC(=O)C)Cc2cccc(c2)NC(=O)CN -MOL_01_015454,CCCc1ccccc1C(=O)N2CCN=C2CN -MOL_01_015455,Cc1nn(C)c(Cl)c1CNCCN(CC23)CC(O2)CN(C3)CCCOc4ccc(CN)cc4 -MOL_01_015456,c1cncn1CCN(C=N2)C(=C)c(c23)ccc(c3)N -MOL_01_015457,NCc(c1)ccc(c12)cc(cc2)C(N)Cc3ccc(cc3)-c4cccc(c4)C(N)O -MOL_01_015458,CC(C)NC(=O)Cn1cc(c(=O)cc1CC)CCc2ccc(F)cc2 -MOL_01_015459,Cc1ccc(c(C)c1C(=O)N)CCC(C2)CCc(c23)ccc(c3)N -MOL_01_015460,Cc1cc(C)nc(n1)CCC(N)Cc2ccc(F)c(Cl)c2 -MOL_01_015461,C1CCCC=C1N(CC)C(=O)CCC(=O)CNC(=O)c2ccccc2C -MOL_01_015462,NCc1cc(N)c(C)cc1NC(=C)C2CCN(CC2)Cc3ccc(N)c(N)c3 -MOL_01_015463,C1CCC(N12)C(=N)N(C2=N)CCCCCNCC(C3)CCc(c34)cccc4 -MOL_01_015464,Cc1ccccc1C(O)N2CCC(CC2)N3CCC(CC3)Cc4ccc(cc4)C(O)NC(C)C -MOL_01_015465,CCCC(O)c1cc(cn1C)-c2nnnnn2 -MOL_01_015466,Cc1ccccc1CCCC(N)Nc2ccccc2C(N)NC3CC3 -MOL_01_015467,N=C(O)CCNC(=N)c1ccc(cc1)C(CCC)Cc2ccc(cc2)-n3cccn3 -MOL_01_015468,CCCCC(N)c(c(c1)C(N)CC)cc(c12)cccc2 -MOL_01_015469,CCC(C1O)=CC(O)c(c12)c(C)cc(c2)C -MOL_01_015470,C1CCCC=C1N(C2CC2)C(N)CCC(C3)CCc(n34)ncn4 -MOL_01_015471,CC1(C)CCC(O)C1Cc2ccc(CN)c(c2)C(N)(N)N -MOL_01_015472,CC(N)c1ccc(cc1N)CC(N)(N)c2ccc(cc2)-c3ccccc3 -MOL_01_015473,C=C(C)c1nc(N)n(n1)-c2cc(Cl)ccc2Cl -MOL_01_015474,C=C1CN(CCN1)Cc2ccccc2-c3ccc(c(C)c3)-c4cnc(N)nc4 -MOL_01_015475,CCCCC(N)Cc1cc(ccc1Cl)C(N)Cc2ccc(F)cc2 -MOL_01_015476,NOc1cc(N)c(Cl)cc1C(=N)NC2CCN(CC2)CCN3CCCCC3 -MOL_01_015477,CC(=O)C1CCCCC1C(=O)N(CC)CC(=O)/N=C/Cc2ccccc2 -MOL_01_015478,CC(=O)c1c(Cl)cccc1Nc2nc(CN)cc(n2)CN -MOL_01_015479,CC(C)(C)C(=O)Nc1cc(ccc1O)CNc2ccc(Cl)cc2 -MOL_01_015480,Cc1ccc(c(n1)N)Cn2ccc(c2C)C(O)CO -MOL_01_015481,Cc1ccc(cc1)CNC(=N)c2ncn(c2N)Cc3ccc(F)cc3 -MOL_01_015482,ClCC(=C)Nc1cn(C)c(n1)C(=C)Nc2cn(C)c(n2)C(=C)NCCN(C)C -MOL_01_015483,c1cccc(c12)cccc2NC(=N)CN3C(=N)C=CC3c4ccccc4 -MOL_01_015484,Cc1cccc(c1)NC(N)CCCC(N)Nc2cc(Cl)ccc2N3CCN(C)CC3 -MOL_01_015485,NC1NC(N)NC(N)C1(N(C)CCO)c2ccc(cc2)Oc3ccccc3 -MOL_01_015486,Cc1ccc(N)c(n1)Nc2ccccc2CN -MOL_01_015487,Cc1ccccc1CNCC(=O)CCC(=O)N(C(C)C)c2ccccc2 -MOL_01_015488,CN(C=1)N(C)C=c(c12)cnc(c2)C(N)Cc3ccccc3 -MOL_01_015489,NCNc1c(C)c(ccc1C)CNc2ccc(cc2)C(F)N3CCCC3 -MOL_01_015490,CCc1cccc(c1)CC(=O)CCC(=O)c(n2)ccc(c23)cccc3 -MOL_01_015491,NCc1ccccc1-n2cnnc2CCC(O)CC3CCCCC3 -MOL_01_015492,CCCCCCC1(CCCC1)NCC(=O)N2C(CN)CCC2CN -MOL_01_015493,Nc1ccc(C)cc1CNC(=C)C2CCC(=C)N(C2)Cc3ccccc3CN -MOL_01_015494,C1CCN=NC12C(=O)C3(C(=O)C\2=C/CC)CCCCC3 -MOL_01_015495,CC(=O)Cc1ccc(cc1)C(=O)CC(C)C(=O)Cc(c2)ccc(c23)CCCC3 -MOL_01_015496,c1ccccc1N(CCCN)C(O)CCC(O)c2ccc(cc2)CN3CCCCCC3 -MOL_01_015497,CC1CCC(CC1)C(C)CCc2cccc(N)c2N -MOL_01_015498,NCc1ccc(cn1)CC(=O)Cc2cc(F)cc(c2)Cc3cccnc3 -MOL_01_015499,Fc1ccc(cc1)CCC(O)Nc2ccc(cc2)C3CCNC3 -MOL_01_015500,CCc(c1)ccc(c12)nc(C)c(c2)CN(C(C)N)CCc3ccccc3 -MOL_01_015501,c1cccc(C2)c1C(c(c23)cccc3)C(=N)NC4CCN(CC4)C(=N)CCc5cccnc5 -MOL_01_015502,NCc1c(CN)cc(cc1CN)C(=O)CCC(=O)NC23CC4CC(C2)CC(C4)C3 -MOL_01_015503,COc1ccc(cc1)C(=O)NCc2nnc(o2)CCC(=O)N3CCC(C)CC3 -MOL_01_015504,Cc1ccccc1CN2CCCC(C2)N(C)C(=N)c3ccc(cc3)C(=N)CN -MOL_01_015505,Cc1nc(C)c(CN)c(n1)Nc2ccccc2N -MOL_01_015506,NCc(c1)ccc(n12)ccc2CCCC(O)NCc3ccccc3F -MOL_01_015507,c1ccccc1CCN(C)C(N)Cc2cccc(c2)-c3c(ON)ccc(c34)cccc4 -MOL_01_015508,CCc1ccc(C(=O)C)cc1CC(C(=O)C2)C(=O)C23CCCCC3 -MOL_01_015509,C1CCCCN1C(=O)C(CC(C)C)C(C(=O)N=C)CN(C)Cc2ccc(CC)cc2 -MOL_01_015510,NCc1ncc(cc1)C(=C)Nc(c2)ccc(c23)cccn3 -MOL_01_015511,C1CCC(N12)CN(C2=N)C3CCN(CC3)C(=N)C(O)CCc(c4)ccc(c45)cc(Cl)cc5 -MOL_01_015512,c1cccc(c12)C(=CC(N)C2N)c3cc(Cl)cc(Cl)c3 -MOL_01_015513,NCc1cc(C=O)ccc1CCC(=O)Nc(c2)ccc(c23)CCC3 -MOL_01_015514,Cc1ccc2cc(c3c(c2c14)CC4)c5c(cc3)N(O)N(O)C=C5 -MOL_01_015515,C=C(O)c1nc(C)ccc1CC(C)C(=O)C(C)c2ccccc2 -MOL_01_015516,Clc1ccccc1C(N(C)C)CNC(N)c2cccc(c2)-n3cccc3 -MOL_01_015517,C1CC1CC(CCC)c2cc(ncn2)C(N)Cc3ccc(CO)cc3C -MOL_01_015518,c1ncn(c12)CCCN(C2)C(O)C(C)Cc3ccccc3 -MOL_01_015519,NCc1nc(nc(Cl)c1)NC(=C)NCc2ccccc2C(=C)CCC -MOL_01_015520,C=C(O)c1ccc(cc1)C(C)C(C)C(=O)NCCc2ccccc2Cl -MOL_01_015521,CCC(=O)CCC(=O)Nc1ccc(cc1)CCc(n2)ccc(c23)cccc3 -MOL_01_015522,c1cccnc1N2CCN(CC2)C(C)C(=N)NC(=N)NC3CCCCC3 -MOL_01_015523,Nc(c1)ccc(c1C23C)CC(C2)c4c3cc(N)cc4 -MOL_01_015524,c1cnccc1CNc2cc(CCCN)ccc2NC3CCCCCCC3 -MOL_01_015525,Cc1ccc(cc1)NC2=NC(=O)CC(C2)C(=O)Nc(c3)ccc(c34)CCC4 -MOL_01_015526,c1c(N)ccc(c12)C(C)C(N)CC/N=C\2c3ccc(N)cc3 -MOL_01_015527,CC(=O)c1cccc(c1)CC2C(=O)C=C(C2=O)Cc3ccc(C)cc3 -MOL_01_015528,c1ccccc1C(=O)CC(C(=O)CC)OC(=O)CCC(=O)c2ccccc2 -MOL_01_015529,c1cccc(c12)ccc(c2)C(=C)NC(C(N)N)C(=C)N3CCC(CC3)c4ccc(C)cc4 -MOL_01_015530,c1cncc(c12)ccc(c2)CC(=O)CCC(=O)C(C34)C(CC3)CCC4 -MOL_01_015531,Cc1ccc(cc1)CN2CCC(C2=N)N3CCCC(CC3)c4ccc(N)cc4 -MOL_01_015532,c1ccccc1Cc2c(CN)c(=N)n(cc2)Cc3ccccc3 -MOL_01_015533,C1CCCCN1Cc2cc(ccc2CN)NC(=O)CN3CCCCC3 -MOL_01_015534,OCCN(C)Cc1cc(ccc1CN)-c2cccc(c2)NC(N)c3cccc(c3)CN -MOL_01_015535,c1cccc(c12)c(C)nc(n2)CN(C(N)CCC)CCc3ccccc3 -MOL_01_015536,Cc1c(C)nc(nc1C)CCC(=C)Nc2cccc(c2)CN3CCCCC3 -MOL_01_015537,Cc1cccc(c1)-c(c2)ccc(c23)NC(N)(N)N=C3N -MOL_01_015538,Cc1c(C)cc(C)cc1C(=C)NCC2(C3CCCCN3C)CCN(CC2)CNCN -MOL_01_015539,CN(C)c1ccc(cn1)CN2CNC(NC2)Oc3ccccc3ON -MOL_01_015540,Cc1cc(ccc1)C(=C)Nc2cc(ncn2)N(CC)CC -MOL_01_015541,c1ccccc1CN2CC(CC2=N)C(=N)Nc3ccccc3N4CCCC4 -MOL_01_015542,CCc1cccc(CC)c1C(C2=N)C(=N)Cc(c23)cccc3 -MOL_01_015543,CCCCCn1nc(C(=O)C)nc1NNc2ccc(CN)cc2 -MOL_01_015544,C=C(O)c1cc(C(=C)O)cc(c1)C(=O)CC(CC2(C)C)CC(C2)(C)C -MOL_01_015545,c1cnccc1CCCC(N)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_015546,c1cccc(c12)CC(=O)C(C)(C)C2C(=O)CCC(=O)CCc3cccc(C(F)(F)F)c3 -MOL_01_015547,CC1(C)CC(C)(C)C(=N1)C(N)CCCCCCc2ccccc2N -MOL_01_015548,Cc1ccc(N)cc1NC(=N)c2cccc(c23)nccn3 -MOL_01_015549,Nc1ccccc1C2CNC(=N)C2c(c3)ccc(c34)cccc4 -MOL_01_015550,CCCC(=O)c1cncc(c1)NNCCC(=O)Nc2ccc(CC(F)(F)F)cc2 -MOL_01_015551,CCC(C)(C)NCC(O)COc1ccccc1CCc2cc(C)no2 -MOL_01_015552,c1cnccc1NC(N)c2ccn(n2)CCc3ccc(F)c(Cl)c3 -MOL_01_015553,FC(F)(F)CCC(C(=O)N)N(CC1CCC1)Cc2ccc(Cl)cc2 -MOL_01_015554,CC1CCC(CC1)CC(C)CCc2ccc(N)c(N)c2 -MOL_01_015555,CCc1cc(N)c(Cl)cc1C(N)NC2CCN(CC2)CCCCCN3CCN(CC)CC3 -MOL_01_015556,CN1CCCCC(C1N)c2ccc(cn2)NNc3ccccc3 -MOL_01_015557,C1CCCC1Cc(c2)c(CN)cc(c23)CCN(C3)Cc4ccncc4 -MOL_01_015558,c1ccccc1C(CN(CC2)CC2N)N(C)C(=N)C(c3ccc(F)cc3)c4ccc(F)cc4 -MOL_01_015559,Clc1cnc(cc1)NC(=N)C2CCCN(C2)CCc3ccccn3 -MOL_01_015560,CNc1ccc(NC)c(c1)C(N)CC(C)CN -MOL_01_015561,c1ccccc1N(CC)CCNC(=N)C2CC(=N)N(C2)CCc3ccccc3 -MOL_01_015562,NCc1cc(ccc1)C(=C)Nc2cncc(n2)Cc3cncnc3 -MOL_01_015563,n1cccc(c12)cccc2C(=N)NCCc3ccccc3N -MOL_01_015564,COCCOC(=O)N(C)C1CCC(CC1)C(C(=O)O)NCc2ccc(cc2)-c3ccc(OC)cc3 -MOL_01_015565,Cc1ccccc1Cn2cnc(c2)C(=O)NCC3CCN(CC3)CCc4ccccc4 -MOL_01_015566,CCc1ccccc1C(N)Cc2cc(Cl)ccc2-n3cncn3 -MOL_01_015567,CC(C)C(O)Nc1cc(C)c(cn1)NC(O)c2ccccn2 -MOL_01_015568,Nc1cnc(cn1)C(=O)C2CCC(CC2)c3ccc(C(F)(F)F)cn3 -MOL_01_015569,c1cccc(c12)cc(N)c(c2C)C(CC(C)N)c3ccccc3 -MOL_01_015570,NCc1ccc2cccc(c2c13)C(CC3)CCNC(=O)C4CC4 -MOL_01_015571,C=C(O)c1ccccc1CCC(=O)NCCC(=O)Nc2ccccc2C -MOL_01_015572,CC(=O)c1cc(ncn1)-c2ccc(N)cc2N -MOL_01_015573,C1CCCCC1CNC(=N)c2ccncc2NC(=N)c3cccc(c34)cccc4 -MOL_01_015574,c1nncc(c12)c(=C)c(c(Cl)c2=C)NCCN3CCCCC3 -MOL_01_015575,Cc1ccc(cc1C)NC(=C)c2ccc(CN)nc2CN -MOL_01_015576,CCCc1cc(ccn1)C(N)C2CCC(=NC2)c3ccc(C)cc3 -MOL_01_015577,Cc1ccc(cc1)CC2(C)C(=N)Cc(c23)c(N)ccc3 -MOL_01_015578,c1ccccc1NC(=N)CC(C23)C(N(CC2)CC3)Cc4cccnc4 -MOL_01_015579,Cc1ccc(cc1)Cc2cc(nnc2C)-c3ccc(N)cc3 -MOL_01_015580,C1CCCC1(CC)NC(O)c2cc(c(F)cn2)CCC3CC3 -MOL_01_015581,NCc1ccc(cc1)CC(N)c2cncn2-c3ccccc3 -MOL_01_015582,C=C(O)c1cc(ccc1N)C(=O)Nc2ccc(cc2)Oc3ccncc3 -MOL_01_015583,CCc1ccccc1CC(N)CN2C=CN(C(N)=C2N)c3cc(C)cc(C)c3 -MOL_01_015584,c1ccccc1CN(CCCCCN)C(N)C(N)Cc(c2)ccc(c23)cccc3 -MOL_01_015585,c1cccc(c12)ccc(N)c2C(CC(N)C(C)(C)C)c3ccccc3 -MOL_01_015586,C1OCc(c12)ccc(c2)NC(=C)CCc3nccn3Cc4ccc(CN)cc4 -MOL_01_015587,Cc1cnn(c1)CCC(=C)Nc2cccc(c2)-c3nccn3CC -MOL_01_015588,NC(O)c1ccccc1NC(N)CCc2ccc(cc2)-c3ccccc3F -MOL_01_015589,Clc1ccc(cc1Cl)-n2nc(cc2C(N)N)CCCN3CCCCC3 -MOL_01_015590,Nc1ccc(cc1)C2CC(=N)N(C2)Cc3ccc(Cl)cc3Cl -MOL_01_015591,FC(F)(F)c1ccc(cc1)NC(=C)N2CCCN2C(=C)C(N)C(C)CC -MOL_01_015592,Nc1cccc(N)c1C(O)Cc2ccc(nc2)N3CCCCC3 -MOL_01_015593,C=C(C)c1cc(n(C)c1)C(=O)Cc2cc(n(C)c2)C(=O)CN -MOL_01_015594,Nc1cccc(c1)Cc(n2)ncc(c23)CCCCC3 -MOL_01_015595,Cc1ccc(cc1)C2=NCC(N)C(C)c(c23)ccc(c3)N -MOL_01_015596,c1cccc(c12)nc(nc2C)CN(C)CC(N)NC(C)c3ccccc3 -MOL_01_015597,NCc1ccc(cc1)CCc2nc(C(F)(F)F)nc(c23)cccc3 -MOL_01_015598,C1CC1NC(N)c2ccc(C)c(c2)-c3ccc(cc3)C(N)NCC4CC4 -MOL_01_015599,Nc1ccc(cc1)C(N)NC(c2ccccc2)c3ccccc3 -MOL_01_015600,CC1CCCN(C1)c2c(N(C)O)c(O)cc(c23)cccc3 -MOL_01_015601,CC(C)n1ccnc1CC2CCC(C(=O)C2)c3cccc(c3)CN -MOL_01_015602,NCCCCc(nc1)cc(c12)c(ncn2)CC3CCCCC3 -MOL_01_015603,NCc1cc(F)c(Cl)cc1C2CC2CN -MOL_01_015604,C1CNCCN1c2ccc(=O)n(n2)CCCc3cccc(Cl)c3 -MOL_01_015605,CC(N)Nc1ccc(cc1)NC(N)c2nc(ncc2Cl)CCc3ccccc3F -MOL_01_015606,CCCC(=O)c1ccc(cc1)NC(=O)CC2CCCNC2=O -MOL_01_015607,CC(O)c1cc(CN)c(nc1C)NCCCN(C)C -MOL_01_015608,Cc1c(C)c(C)c(C)c(c12)CC(C)(CC2)C(=O)NCc3ccc(CN)c(c3)CN -MOL_01_015609,c1cccc(c12)CCN(C2)C(=C)Nc3ccccc3N -MOL_01_015610,Cc1cc(O)cc(c12)cc(cc2)Cc3ccc(cn3)NC(O)c4cnccn4 -MOL_01_015611,CCCCCC(=O)NC(C)C(=O)CC(C(=O)C)Cc1ccc(cc1)-c2ccccc2 -MOL_01_015612,Cc1cccc(c1)CCNC(=O)C2CCN(CC2)Cc3c(C)nn(C)c3C -MOL_01_015613,NC(N)C(C1)CC1(NC)CCc2nc(C)nc(Cl)c2N=O -MOL_01_015614,CNc1ccc(cc1)C(c2ccccc2)CC(N)Nc3ccc(F)cc3 -MOL_01_015615,Clc1cc(C(N)(N)N)cnc1C(C)C(N)Cc2ccc(Cl)cc2 -MOL_01_015616,CC1=CC=C(C(N)C1)c2ccc(cc2)-n3ccnc3 -MOL_01_015617,CCN(CC)CC(N)N(COC(N)C(C)(C)C)c1c(C)cccc1C -MOL_01_015618,NOC(=O)C(N)NCC(c1ccccc1)(c2ccccc2)c3ccccc3 -MOL_01_015619,c1cnccc1C(=N)Nc2cc(ccc2CN)-c3ccccc3 -MOL_01_015620,Nc1ccccc1NC(N)CCCCCNC(N)C2CCN(CC2)c3ccncc3 -MOL_01_015621,O1COc(c12)ccc(c2)CNC(Cl)c3ccc(nc3)C(Cl)NCc(c4)ccc(c45)OCO5 -MOL_01_015622,NC(N)C1(CC1)c2ccc(c(F)c2)-c3ccc(c(F)c3)-c4ccc(F)cc4 -MOL_01_015623,Cc(n1)c(C)nc(c12)c(CC(=O)C)ccc2CC -MOL_01_015624,NCC(=O)c1cccc(c1)-c2ccc(CN)cc2 -MOL_01_015625,NCc1cccc(c1)NC(=O)Cn2cnc(c2)CN3CCCCC3 -MOL_01_015626,CCCNC(=O)CC1C/C=C/CCC(=O)CC(CNC1=O)c2ccccc2 -MOL_01_015627,C1CC1NC(=N)c2ccc(C)c(c2)-c3ccc(cc3)C(=N)NCCCN(C)C -MOL_01_015628,CC(C)(C)n1c(=O)c(C)c(cn1)NCc2ccc(cc2)CON -MOL_01_015629,Cc1cc(CN)cc(C)c1Cc2ccnc(n2)NC3CCN(CC3)Cc4ccc(CN)cc4 -MOL_01_015630,O=c1ccn(cc1)C(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_015631,c1ccccc1C(=N)CCn2ccnc2-c3ccc(Cl)cc3 -MOL_01_015632,c1cccnc1C(=O)NCCc(c2)ccc(c23)CCCC3 -MOL_01_015633,CC(C)(C)C(C)CC(N)Cc1ccccc1N -MOL_01_015634,CC(=N)Nc1cccc(c1)C(=N)NCc2cccc(c2)-c3cccc(c3)CN4CCNCC4 -MOL_01_015635,c1ccccc1CC(CC)N2CCN(CCC2=N)Cc3cccnc3 -MOL_01_015636,O=c1oc(ON)nc(c12)cccc2N -MOL_01_015637,Fc1ccc(cc1Cl)N(CCN)C(N)c2ccc(Cl)cc2Cl -MOL_01_015638,CC(C)CCC1(C(N)(N)N)CC(=C)Cc(c12)ccc(c2)C -MOL_01_015639,NCc1ccc(cc1)Cc2nnc(C)n2-c(c3)ccc(c34)CCCC4 -MOL_01_015640,NCc1cccc(c1)C(=O)Nc2cncc(n2)Cc3cncnc3 -MOL_01_015641,CCc1cc(C=O)ccc1CC(=O)CCC(=O)c2cc(C)cc(C)c2 -MOL_01_015642,C1CCCC12C(CN)=C(N)NC(=C2CN)CCC(=O)c3ccccc3 -MOL_01_015643,CCc(c1)ccc(c12)C(=CC(N)C2N)c3ccccc3 -MOL_01_015644,C=C(O)c1cnc(N)n1CC(=O)CCc2ccc(Cl)cc2 -MOL_01_015645,CC1=NC(CCC1)c2cccc(c2)CC(=O)c3ccc(Cl)cn3 -MOL_01_015646,Cc1ccccc1CN(CC2CCCN2)C(=N)C(C)Oc3ccccc3 -MOL_01_015647,c1ccccc1C(CN)(c2ccccc2)NNCNC3c(cccc4)c4NNc(c35)cccc5 -MOL_01_015648,OCc1c(O)cc(O)c(c1O)C(O)CCc2ccccc2 -MOL_01_015649,OC1CCCN1c2ccc(cc2CN)NC(O)NC3CCCCC3 -MOL_01_015650,Cc1nc(N)nc(c1CN)CCc2cccnc2 -MOL_01_015651,Fc1ccc(cc1)C(CC)n2cnc(c2)C(N)NCCCN3CCC(C)CC3 -MOL_01_015652,c1ccccc1C(C)NC(=N)C(c2ccccc2)NC(=N)Nc3cccc(Cl)c3 -MOL_01_015653,CN1CCC(CC1)Cc2ccc(cc2)NC(N)c3cccc(Cl)c3 -MOL_01_015654,CNc1cc(N)c(c(c1)NC)C(N)CCc(c2)ccc(c23)NCN3 -MOL_01_015655,Clc1cc(F)ccc1CCC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 -MOL_01_015656,CC(=O)CCC(=O)c1ccc(nc1)/N=C/c2ccc(cc2)CC3CCCN(C)C3 -MOL_01_015657,CC(C)(C)NC(=N)c1ccc(C2CC2)c(n1)CCC3CC3 -MOL_01_015658,C1COCCC1CNC(=N)CC2C(=N)NCCN2CC(c3ccccc3)c4ccccc4 -MOL_01_015659,NC(N)(N)CCC(O)NCc1cc(Cl)c(c(Cl)c1)CC2=NCCC2 -MOL_01_015660,NCC(=O)C(C12)=C(CC(C1)CC2)n3cnnn3 -MOL_01_015661,c1cccc(c12)CN=C2NCCC(=O)CCC(=O)c3ccccc3Cl -MOL_01_015662,CCN1CCC(CC1N)CN(Cc2ccccc2)Cc3cccnc3 -MOL_01_015663,Cc1cc(C)c(cc1C)C(=O)CCC(=O)Cn2cnnn2 -MOL_01_015664,c1ccnc(c12)ccc(c2)CCCNCN(C3)CNC(C34)NNNN4 -MOL_01_015665,CN1C(=O)N=C(N)C1(C)c2ccccc2 -MOL_01_015666,Cc1nc(N)nc(c12)CCC(=N2)c3ccccc3 -MOL_01_015667,C1CCCCC1C(O)c2cc(CN)c(cc2)Cc3ncc(Cl)c(n3)CN -MOL_01_015668,Nc1cc(ccn1)C(O)N(CCC2)CCC23CCc4c(C3)cccc4 -MOL_01_015669,NNNCC(C1=C)C(=C)c(c12)ccc(c2)C(=C)Cc3ccc(N)c(c3)CC(C)C -MOL_01_015670,Cc(n1)c(C)nc(c12)cccc2CC(C)O -MOL_01_015671,CCCC(=O)c1nnnnc1CNc2nnc(Cl)nc2Cl -MOL_01_015672,CC(=O)NC1CCCC(C1)c2cccc(c2)NC(=O)C(C)(C)C -MOL_01_015673,CC(=O)C(C(C)C)CC(=O)c1ccccc1CC(=O)n2ccnc2 -MOL_01_015674,c1ccccc1N(C)C(=O)CCc2ccc(cc2)N(C3(C)C)C(N)NC(N)N3 -MOL_01_015675,N=C(C1)NCC12CCCN(C2)C3CCN(CC3)c4cccc(N)c4N -MOL_01_015676,COc1ccccc1CN2CCCC(C2)CN(CCN(C)C)C(N)c3ccc(C)cc3 -MOL_01_015677,Clc1ccccc1CC(=C)N(CC2)C2(C)C(=C)NCc3ccc(CN)cc3 -MOL_01_015678,NCc1ccc(cc1)CC(C2=O)CCc(c23)c4c(cc3)CNC4 -MOL_01_015679,Nc1cccc(N)c1CC(C2=NCCC2)C3CCCCC3 -MOL_01_015680,CCC(N)c1cccc(c12)nc3c(n2)ccc(c3)C -MOL_01_015681,CN(C)CCNC(Cl)c1cccc(c12)nc3c(n2)cccc3CN -MOL_01_015682,COc1ccc(cc1OC)C(N)Nc2ccc(cc2)C3(CN)CCCC3 -MOL_01_015683,CCc1c(Cl)cc(cc1CC)C(=O)CCC(=O)CC(=O)CC2NNNNN2 -MOL_01_015684,CC(O)CCCNC(O)c(c1C)ncc(c12)ccc(c2)Cc3ccccc3 -MOL_01_015685,CCCc1nc(NC(C)O)cc(C)c1CN -MOL_01_015686,C1CCCCN1CC(C2)(C(=C)c(c23)c(CN)cc(c3)CN)CN4CCCCC4 -MOL_01_015687,CC1CCC(CC1)C(C)C(N)c2c(C)n(nc2)-c3ccc(Cl)cc3 -MOL_01_015688,Cc1ncc(C(F)(F)F)cc1NC(C)NCCc2ccccn2 -MOL_01_015689,CCC(O)CCc(c1)ccc(c12)cc(O)c(c2)C(O)Cc3cncc(Cl)c3 -MOL_01_015690,CCCC(=O)C1=C(C)C(C)C(C)=C(C(=O)CCC)C1c2ccncc2 -MOL_01_015691,OCC(C)(C)n1cnc(c1)CC(=O)C(CCC)CC(=O)Cc2cc(F)cc(F)c2 -MOL_01_015692,CN(C)C(=O)c1ncn(c12)c(=O)n(cn2)CCCl -MOL_01_015693,NCc1cccc(c1)NC(N)Nc2ccc(cc2)-c3cccc(c34)C(N)NC4 -MOL_01_015694,O=C1C(C)(O)C(=O)C=C(C1=2)C=C(CC2)CCCCCCc3ccccc3 -MOL_01_015695,Cc1ccc(cc1)C2=C(C)C(N)N(C2)Cc3ccc(cc3)C(N)NCc4ccccc4 -MOL_01_015696,C1CCCCC1CC(C)CC(N)c2ccc(N)cc2N -MOL_01_015697,CC(O)c1cc(ccc1N)CC(O)C2CCCCCC2 -MOL_01_015698,c1ccccc1CCC(O)OCC(O)Cn2cnc(c2)CN3CCN(CC3)c4ccccc4 -MOL_01_015699,c1ccccc1C2=C(COC2N)OCCOC(N)c(c3)ccc(c34)cc(O)cc4 -MOL_01_015700,NCc(c1)cc(CN)c(c12)C(=O)C(C2)(CN3CCCC3)CN4CCCC4 -MOL_01_015701,Cc1ccc(c(C)c1)C(CC2)=Nn(c23)c(nn3)C -MOL_01_015702,NC(N)Cc1ccc(cc1CC)CN2CCCC(C2)N3CCCC3 -MOL_01_015703,CC(=N1)C=CC1(N)c2cccc(c2)CC(=N)c3ccccn3 -MOL_01_015704,CCCCCCCCCCC1=CC(N)C(N)c(c12)cccc2 -MOL_01_015705,Cc1nc(N)c(cc1C)-c2ccncc2N -MOL_01_015706,c1cccc(c12)cccc2CN(CC)CCCN(C3)CCc(c34)cc(cc4)ON -MOL_01_015707,NCc1cc(ccc1)NC(CC)C(=O)NCc(c2)ccc(c2=3)=NC(N3)=O -MOL_01_015708,CC1=CC(CC1)c2cc(N)ccc2N -MOL_01_015709,CCc1ncccc1C(O)NCC(C2)Cc(c23)cccc3 -MOL_01_015710,CCCC(=O)Cc1ccc(cn1)-c2ccc(C(=O)C)cc2 -MOL_01_015711,Clc1ccc(C(F)(F)F)cc1C(=N)NC2CCC(CC2)Cn3cc(N)cn3 -MOL_01_015712,Cc(c1)ccc(c12)c3c(cc2)CC(=O)CC3c4cccc(c4)C(=O)N -MOL_01_015713,CC(C)(C)c(n1)ncc(c12)CN(C2)C(=C)c3ccnc(c3)CN -MOL_01_015714,NCCCC(N)c1cn(C)nc1CCc2cccc(C(F)(F)F)c2 -MOL_01_015715,Oc1cnccc1CCCCc2cccnc2Cc3cccc(F)c3 -MOL_01_015716,CCc1cc(c(C)nc1C)CCCCC(C2O)C(O)c(c23)cccc3 -MOL_01_015717,Cc1cccc(F)c1Oc2cc(Cl)ccc2C(N)Cc3ccnc(N)c3 -MOL_01_015718,CCCC(=C)Nc1ccc(nc1N)NCc2ccc(C(=C)C)cc2 -MOL_01_015719,c1ccccc1C(=O)CCc2n(CC)c(nn2)COc(c3)ccc(c34)OCO4 -MOL_01_015720,Nc1ccccc1C(CCCN)(c2ccccc2)Cc3ccccc3 -MOL_01_015721,CNN(C)c1ccn(c1N)Cc2ccc(N)nc2C -MOL_01_015722,Fc1cc(ccc1)CC(=N)Cn2c(cccc3)c3c(=N)c(c24)cccc4 -MOL_01_015723,CC(=O)NC(C)c1ccc(cc1)CC2CN(C2)c3ncc(cn3)CCC(C4)C4(F)F -MOL_01_015724,Cc1ccc(cc1C)CNCC(C2)CCCc(n23)c(nn3)C -MOL_01_015725,C=C(O)c1c(C)cn(c1C)CC(O)CCCc2ccc(Cl)cc2 -MOL_01_015726,CCc1ccc(cc1)-n2c(CCC(=O)C)nnc2CCc3cccc(C)c3 -MOL_01_015727,CCN(CC)Cc1cccc(c1)NC(=O)CCc2ccc(CN)cc2CN -MOL_01_015728,NC(O)c1cccc(c1C)NC(N)CCCc2ccc(F)cc2F -MOL_01_015729,CN(C)c1ccc(cc1)-c2ccc(cc2)Cn3cccc(O)c3=N -MOL_01_015730,c1cc(N)c(n12)nc(C3CC3)cc2C(=C)C -MOL_01_015731,Cc1cccc(c1)CCN2CC(CCC2=N)C(=N)N(C)CCn3nc(C)cc3C -MOL_01_015732,c1cccc(c12)CN(C)C(N)N2CC(N)NCc3ccccc3 -MOL_01_015733,NC(N)C1CCN(CC1)C(N)c2ccccc2CCc3ccncc3 -MOL_01_015734,CNc1cc(ncn1)Cc2ccc(c(C)c2)NC(O)NC3CC3 -MOL_01_015735,CN1CCC(CC1)N2CCC(C2)NC(=N)c3ccc(cc3)COc4ccc(C(N)(N)N)cc4 -MOL_01_015736,Cc1ccc(Cl)cc1NC(N)CN(CC)C(N)CCOc2ccccc2C -MOL_01_015737,Cc1ccccc1NC(=C)CN(CCC)C(=C)CCC(=C)c2cnc(C)cn2 -MOL_01_015738,NCC1CCC(CC1)CNC(=O)C(C=C2)=C(C2=3)C(=O)N=CN3 -MOL_01_015739,Cc1cc(F)ccc1CC2(C(=O)C)OCC(CO2)Cc3nccn3C -MOL_01_015740,CNc(c(N)c1)cc(c12)C(CCC2)Cc3ccc(N)cc3N -MOL_01_015741,c1cccc(c12)c(nnc2C)C(=O)CCC(=O)C(C)c3ccccc3 -MOL_01_015742,c1cccnc1CCCNC(=O)c2cn(cn2)CCN3CCNCC3 -MOL_01_015743,CC(N)Cc1ccc(cc1)Cc2nc(nc(n2)C3CC3)-c4cccc(Cl)c4 -MOL_01_015744,NCc1ccccc1-c(c2)cc(O)c(c23)cc(N)cc3 -MOL_01_015745,c1ccn(c12)c3c(nc2N)cc(cc3)CC4CCCCC4 -MOL_01_015746,c1ccccc1C(N)(c2ccccc2)C(N)OC3CCCN(C3)Cc4ccccc4 -MOL_01_015747,C1CCCCN1Cc2ccc(C)c(c2)NC(C)CNCc3ccccc3CN -MOL_01_015748,NCc1ccccc1CC(=O)c2ccc(nc2)-n3cccn3 -MOL_01_015749,NC1CCC(=C1CC)c2ccc(cc2)-n3ccnc3 -MOL_01_015750,c1ccccc1-c(c2C(N)CC3N)ccc(c2c34)ccc4 -MOL_01_015751,C=C(C)c1cnc(C)n1CC(=O)C2CCCC2C(=O)CN -MOL_01_015752,NCC(O)C(CC)(CC)NC(O)c1cnc(C2CC2)c(n1)CCC3CC3 -MOL_01_015753,CCC(C=1)=C(C(C)C)C(=N)C(C12)=C(O)C(=N)C3=C2C=CCC3(C)C -MOL_01_015754,O=C1CC(=O)CC1Cc2ccc(C)c(c2)C(=O)CCc3ccc(C(F)(F)F)cc3 -MOL_01_015755,NCc1ccc(cc1)CC2(C(N)CCC)CCN(CC2)C(N)CCc3cnccn3 -MOL_01_015756,c1cncn1-c2ccc(cc2)C(C)CCc3ccccc3N -MOL_01_015757,CCc1ccc(cc1)C(F)Nc2ccc(cc2)CNc3cc(C)nc(n3)C -MOL_01_015758,c1cccc(c12)c(nnc2C)C(O)N3CCN(CC3)c4ccccc4 -MOL_01_015759,CCCc1cc(ccc1O)-c(c2)cc(N)c(c23)c(O)cc(c3)O -MOL_01_015760,Cc(c1)ccc(c12)c3c(C2N)ccc(c3)N -MOL_01_015761,CCC(C1=O)Cc(c12)cc(c(c2)N)CCC(=O)C -MOL_01_015762,Fc1cccc(F)c1C(N)CC(N)Cc2cc(Cl)c(cc2Cl)CC(F)(F)C(F)F -MOL_01_015763,n1cccnc1C(=N)Nc2cccc(c2)CN3CCC(CC3)C(=N)NC4CCCCC4 -MOL_01_015764,CC(=O)c1ccccc1-c(c2)ccc(c23)C(=O)CC(=O)C3 -MOL_01_015765,CCc1ccc(cc1)NCNC(=C)C(=C)NCC2CCNCC2Cc3cc(N)ccc3N -MOL_01_015766,Cn1cc(cn1)C2(N)CNCN(C2)Cc3ccc(Cl)c(N)c3 -MOL_01_015767,Fc1cc(ccc1)CC2(C(=O)CCN)CCN(CC2)Cc3cnn(c3)CN -MOL_01_015768,CCC(=O)n1cc(nc1C)-c2nnc(Cl)nn2 -MOL_01_015769,C=C(O)c1cccc(c1)C(O)CCCn2c(C(=C)O)cnc2C -MOL_01_015770,C1CCCC1N(C)C(O)CCC(O)c(n2)ccc(c23)cccc3 -MOL_01_015771,CCc(n1)cn(c12)c3c(c(c2)N)ccc(c3)N -MOL_01_015772,C1CCC1C(=O)N(C)CC(=O)Cc2ccc(Cl)c(c2)C(N)(N)N -MOL_01_015773,Cc1cccc(c1)N(CN)CC(=O)N2CCCCC2 -MOL_01_015774,NCCC(C)(C)C(C(=O)C=C)CC(=O)c1ccc(cc1)-c2cnc(C)nc2 -MOL_01_015775,Clc1cnc(nc1)N(C2)CC(CCC3)C23CCc4ccccn4 -MOL_01_015776,FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=N)N2CCC(N)CC2Cc3ccccc3 -MOL_01_015777,CCC1(CC)CC(CC1=N)CN2CCN(CC2)c3ccccc3CN -MOL_01_015778,Cc1cccc(c1)C(=O)CCC(=O)CCC(=O)C2CCc(c23)cccc3 -MOL_01_015779,C1CCC(=C12)N(O)C(=CN2O)c3ccccc3 -MOL_01_015780,CCc1cccc(c1)Nc2ncccc2C(N)NCc3ccccc3 -MOL_01_015781,CCC(CC)C(N)c(c1)ccc(c12)nc3c(n2)cccc3 -MOL_01_015782,c1ccccc1COC(N)CCC(N)C(c2ccccc2)c3ccccc3 -MOL_01_015783,Cc1cc(C)c(c(n1)N)CCC(N)C(C)Cc2cccc(F)c2 -MOL_01_015784,NCCN(CCN)C(C1)CCc(c12)cccc2NO -MOL_01_015785,Nc1cc(N)n(c1)-c(c2)cc(n23)nc(N)cc3N -MOL_01_015786,Cc1cc(C)nc(n1)CC(N)C(c2ccccc2)c3ccccc3 -MOL_01_015787,NCc(c1)c(CN)cc(c12)ccn(c2=O)Cc3ccc(Cl)c(Cl)c3 -MOL_01_015788,NCc1ccc(Cl)cc1NCC(O)NCCNc2ncccn2 -MOL_01_015789,c1cccc(c12)cc(N)c(c2NCC)NC(N)CCc3ccc(Cl)cc3 -MOL_01_015790,CCCc1ccc(cc1)NC(=O)C(=C(C)C(=O)C2)C23CCC(C)CC3 -MOL_01_015791,Cc1cc(C)c(cc1C)C(=O)CCCCC(=O)c2cccnc2 -MOL_01_015792,CCc(c1)ccc(c12)cc(O)c(c2)N(C3O)C(O)c(c34)cccc4 -MOL_01_015793,Cc1cc(C)c(CN)c(n1)CCC(=N)CCc2ccccc2F -MOL_01_015794,Oc1ccc(cc1)CC(O)(C2O)CCc(c23)cc(O)cc3 -MOL_01_015795,NCc(c1)c(CN)cc(c12)CC(C)(C)NC2Cc3ccccc3 -MOL_01_015796,c1cccc(c12)N=Nc3c(C2C(=O)N)cccc3 -MOL_01_015797,CCc1ccc(cc1)C2=CN(C(N)CC2)CCC(N)NCCc3ccc(OC)c(c3)OC -MOL_01_015798,CCc1cccc(c1)N2C=CN(C(N)=C2N)CC(N)c3ccc(F)cc3 -MOL_01_015799,Fc1ccccc1CCC(N)NC2CCCN(C2)Cc3ccccc3 -MOL_01_015800,Cc1ccccc1CC(C)(C)NC(=O)CCCc2cccc(c2)C(=O)N -MOL_01_015801,CCc1cccc(C)c1NC(O)c2ccc(cc2)NC(C)O -MOL_01_015802,CN(C)c1cc(ccn1)CNC(=N)N(C)C(N)c2cc(F)ccc2F -MOL_01_015803,CCc1cccc(c1)C(=O)CC(C(=O)C)NC(=O)c2ccccc2 -MOL_01_015804,C=C(O)c1ccn(c1)CC(=O)N2CCN(CC2)c3ccccc3 -MOL_01_015805,CC(N)Nc1ccc(cc1)C(N)N2CCN(CC2)c3ccccc3CN -MOL_01_015806,Nc1cccc(N)c1CC(N)CC2=CCCC2 -MOL_01_015807,Cc1cc(CN)cc(C)c1Cc2ccc(N)c(n2)Nc3ccc(CN)cc3 -MOL_01_015808,Cc1cnc(cn1)CN2CCCC(C2)Cn3cc(C)nc3C -MOL_01_015809,NC(O)c1ccccc1NC(O)CCCc2ccccc2 -MOL_01_015810,CCCCNc1ccc(cc1)CNC(N)C2CCc(c23)cccc3 -MOL_01_015811,c1cccc(c12)nc(C(=O)OCN)c(n2)CCC3CCCC3 -MOL_01_015812,CCC(=N)c1cccc(c12)nc3c(n2)c(C)ccc3 -MOL_01_015813,CCCc1cc(C)nc(c1CN)CCC(N)CCC2CCCC2 -MOL_01_015814,Cc1ccc(cc1)C(=O)NC(C(C)(C)C)NC(NCN)Nc2ccc(C(C)(C)C)nc2 -MOL_01_015815,Cc1cccc(C)c1C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCCC4 -MOL_01_015816,Cc1cccc(c1)CCC(O)(CC23)CC(CCC2)N3C(=O)CN -MOL_01_015817,NCNC(=O)c1cc(C)c(cc1F)CCC23CC4CC(C2)CC(C4)C3 -MOL_01_015818,C1CCc(c12)cc(cc2CN)CNC3CCCC(C3)c4ncccn4 -MOL_01_015819,O=C1CC(=O)CC1Cc2ccc(CC)c(c2)C(=O)CCc3ccc(C)cc3 -MOL_01_015820,CCc(c1)c(CC)cc(c12)NCN(C(=O)N2)CNCN(C)Cc3ccccn3 -MOL_01_015821,CN(C1)C(=O)CC12CCN(C2)C(=O)CCCCCc3ccccc3 -MOL_01_015822,c1cccc(c12)N=C(O)C2C3C(O)=Nc(c34)cccc4 -MOL_01_015823,C=C(C)Cc(n1)cn(c12)cc(cc2)C(N)(N)N -MOL_01_015824,NCC(=O)c1c(C)n(cc1N)-c2ccccc2 -MOL_01_015825,Cc1cccc(c1)CN2CCC(CC2)CN(C3N)Cc(c34)cccc4C(N)N -MOL_01_015826,NC(N)(N)c1ccc(cc1)CC2C(=NCC3)C3c(c24)cccc4 -MOL_01_015827,NCc(c1)ccc(c12)CC(C)(C)CC2n3ccc(=N)cc3 -MOL_01_015828,C=NC(=N)c(c1)ccc(c12)CN(CCC2)C(=N)c3ccc(cc3)-c4ccccc4 -MOL_01_015829,NC(N)(N)c1ccc(cc1)OC(c2ccccc2)CCC3CCCC3 -MOL_01_015830,CCC(N)c1ccc(cc1)-c2ccc(cc2)C(CC3)CC34C=CC(N)C=C4 -MOL_01_015831,CCn1nc(C)cc1C(=N)N2CCCN(CC2)CCCc3ccccc3 -MOL_01_015832,Cc1ccc(cc1)C2=NN(C(O)CC2)CCC(O)NCc(c3)ccc(c34)CCC4 -MOL_01_015833,C1CCCCC1C(N)CC(c2ccccc2)c3ccccc3O -MOL_01_015834,Cc1ccc(cc1C)CN(C(C)C)C2(CC2)C(=N)NC(C(C3)CC(C4)C5)C4CC35C(=N)N -MOL_01_015835,CCCCc1ccc(cc1)NC(=N)C2CC2c3cccnc3 -MOL_01_015836,Cn1nccc1C(CC)CCc2ccc(cc2)C(=O)NC3CC3 -MOL_01_015837,CCCc1ccc(cc1)NC(=C)Cc2nnc(n2C)CCC(=C)N3CCCCC3 -MOL_01_015838,Cc1cc(C(F)(F)F)c(CN)c(n1)CCC(N)CC2CC2 -MOL_01_015839,Cc1cc(ccc1)NC(=C)C2CCN(CC2)Cc3c(C)nc(C)nc3C -MOL_01_015840,Cc1ncncc1-c2ccc(cc2CN)NCc3ccc(Cl)cc3 -MOL_01_015841,c1ccccc1NC(N)CC2CCN(CC2)C(N)c3cccc(c3)CCc4ccccn4 -MOL_01_015842,FC(F)(F)c1cc(ccc1)C(=N)C2CCCN(C2)Cc3cnn(c3)CN -MOL_01_015843,CCCc1ncccc1C(O)Nc2cccc(Cl)c2Cl -MOL_01_015844,Clc1cc(CN)c(cc1C)CC(O)CCc2ccn(n2)CC(C)O -MOL_01_015845,NC(O)c1ccc(cn1)N2CCC(CC2)CC(O)N3CCN(CC3)C4CCC4 -MOL_01_015846,NCc1cccc(c1)N2CCN(CC2)CC(=O)Nc3ccc(cc3)-n4ccnc4 -MOL_01_015847,Cc1cc(N)cc(c12)cc(cc2)CC(N)CCc3ccccn3 -MOL_01_015848,NCc1ccc(cc1)C(C)(c2ccc(CN)cc2)c3nccn3CCN -MOL_01_015849,c1ccccc1CN(CC2CCCO2)C(=N)c3ccc(cc3)-c4ccccc4ON -MOL_01_015850,CCC(C)CNC(O)c1cc(c(cn1)C2CC2)CCC3CC3 -MOL_01_015851,CCCCC1(C(N)(N)N)CC(O)Cc(c12)ccc(c2)C -MOL_01_015852,Cn1ccnc1CCC(=O)CCC(=O)Cc2ccc(F)c(F)c2F -MOL_01_015853,CCC1CC1c2cccc(c2)-c3ccc(C(N)(N)N)cc3 -MOL_01_015854,NC(N)(N)C1=CC=C(C1=2)C=C(C2)c3ccccn3 -MOL_01_015855,C1C(C2)CC(C3)CC1CC23CC(N)C(N)Cc4ccc(cc4)OCc5ccccc5 -MOL_01_015856,CCNC(O)Nc1ccc(cc1)-c(c(O)c2)cc(c23)ccc(c3)CC(O)N(CC)CC -MOL_01_015857,c1cncn1-c2ccc(cc2CN)CCCc3ccccc3 -MOL_01_015858,c1cccnc1C(C)C2(CC(C)C2)c3cccc(c3)C(N)(N)N -MOL_01_015859,C1CCCCC12N=C(C)N=C(C)C\2=C\CCCCc3ccc(CN)cc3 -MOL_01_015860,C=C(C)c1cccnc1NCCNc2ncc(C(F)(F)F)cc2Cl -MOL_01_015861,C1CCCCN1Cc2cc(C)c(cc2)NC(=O)Nc3ccccc3 -MOL_01_015862,CC(C)(C)Cc1nc(C(N)(N)N)nc(c12)cccc2 -MOL_01_015863,NC(N)c1cccc(c12)CN(C2N)C3CCN(CC3)Cc4ccccc4C(F)(F)F -MOL_01_015864,NC(N)c1ccnc(c1)Cc2cc(C)ccc2NCc3ccccc3 -MOL_01_015865,NCc1ccc(cc1)C2(C(=C)N(C)C(=N2)N)c3ccccc3 -MOL_01_015866,Clc1cc(ccc1)CC(=C)CC2CC(N)(N)Cc(c23)ccc(c3)CCCN -MOL_01_015867,Cc1c(N)c(C)cc(c12)CC(CC2=N)c3ccccc3 -MOL_01_015868,C1CC1C(C)NC(=N)c2ccc(cc2)OC3CCN(CC3)C(=N)c4cccnc4 -MOL_01_015869,c1cc(O)cc(c12)cc(N)c(c2)-c(c3)ccc(c34)CCCC4 -MOL_01_015870,Cc(c1)ccc(c12)c(O)c(cc2)-c3cccc(c3)CC(N)(N)N -MOL_01_015871,Clc1ccc(cc1)C(=NC2(C)C)C(=N2)CCC(N)Nc3ccc(Cl)cc3 -MOL_01_015872,CCC(=O)C(CC1)CCc(c12)nc(CC)nc2CC3CCC3 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-MOL_01_015962,NCc1ccc(cc1)NC(O)c2ccc(cc2)Cn3cc(Cl)cn3 -MOL_01_015963,C1CCc(c12)c3c(cc2N)cc(c(Cl)c3)CC(C)C(N)NCCCN4CCCCC4 -MOL_01_015964,C1CCCCC1(C)C(N)CC(C(N)N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_015965,Cc1ccccc1C2(C(N)(N)N)C=CC(O)C2 -MOL_01_015966,CCCNc(c(n1)CN)nc(c12)ccc(c2)CC -MOL_01_015967,c1ccccc1CCNC(=O)c2ccccc2CCC(=O)N3CCCC3 -MOL_01_015968,Nc1ccc(c(N)c1)-c(c2)ccc(c23)C(=O)CC(=O)C3 -MOL_01_015969,CC(N)CC(C)c1ccc(c(N)c1)CCC2CC2 -MOL_01_015970,Cc1cc(C)c(CN)c(n1)CCC(=O)Cc2ccc(F)cc2 -MOL_01_015971,Cc1nc(C)c(C(=O)CN)c(n1)CCc2ccc(CN)cc2 -MOL_01_015972,c1ccccc1C(=C)CC(=C)CCC(=C)CC(C(=C)C2)C(=C)C23NNNNN3N -MOL_01_015973,CCC1CCC(C1)n2cc(N)c(C)nc2=O -MOL_01_015974,Cc1cc(CN)c(CN)c(c12)CC(CC2=O)c3ccccc3 -MOL_01_015975,c1cccc(c12)CN3N(C2)C(O)=c4c(=C3O)cccc4 -MOL_01_015976,C=C(C)C1CNC(NC1)Cc2cc(ccc2CC)C(=C)C3CNNN(C3)C(=C)NC -MOL_01_015977,C=C(C)c1cn(cn1)CC(=O)Nc2ccccc2C(F)(F)F -MOL_01_015978,CCc(c1)cc(NC)c(c12)C(N)c3c(C2N)cccc3NC -MOL_01_015979,c1cccc(c12)nc(nc2O)C(O)NCCNC(O)c(n3)ccc(c34)cccc4 -MOL_01_015980,CC(C)c1ccc(cc1)NC(=O)CC(C(=O)C2)N(CC(F)(F)F)CC2(C)C -MOL_01_015981,CCC(=O)c(n1C)nc(c12)nnc(n2)N -MOL_01_015982,CC(C)C(C(C)C)CCC(C1)C(=O)OC1(CO)COC(=O)c2cccc(O)c2 -MOL_01_015983,c1ccccc1COCC(NC(N)C(C)(C)C)c2nccn2Cc3ccccc3 -MOL_01_015984,Clc1cc(ccc1)CNC(N)C2CCCN2CCCc3ccccc3 -MOL_01_015985,CCCc1ccc(cc1CCC)C2C(CN)=C(N)CC(N)=C2CN -MOL_01_015986,NCc1c(CN)cc(CC)c(CN)c1C(=C)NCC2CCCN2CC -MOL_01_015987,CCc1ccc(cc1)-c2cc(N)cc(c23)cc(cc3)CC(C)C(N)O -MOL_01_015988,CC(N)NC(C)c1ccc(cc1)CN(C2)CCc(c23)c(ccc3)CC4CCC4 -MOL_01_015989,Nc1ccc(C(N)N)c(c1)NC(=O)Oc2ccc(cc2)-c3ccccc3 -MOL_01_015990,Cc1ccc(cc1C(=O)N)C(C)CNC(C)CN(C)c2ccccc2 -MOL_01_015991,c1ccccc1C(=N)NC(C)C(=N)NCCCN(CC2)CCC23c4c(CC3)cccc4 -MOL_01_015992,c1ccccc1CCNC(=C)C2CCN(CC2)Cc3ccc(cc3)-n4cnnn4 -MOL_01_015993,Cc(c1)ccc(c12)CC(=O)CC2(C(N)(N)N)CCC3CC3 -MOL_01_015994,c1ccccc1C(N)CC(N)Cc2cc(C(F)(F)F)ccc2Cl -MOL_01_015995,CC1CN(CC(O1)C)CC(=O)Nc2cc(ccc2Cl)CN3CCCC3 -MOL_01_015996,c1ccccc1C(N)CC(CC(N)N)c2ccc(cc2)NC(c3ccccc3)c4ccccc4 -MOL_01_015997,NC(=O)N1CCCN(CC1)C(=O)Cc2cc(ccc2F)-n3cccc3 -MOL_01_015998,CCC(N)C1=C(C)CC(C)=C(C(N)CC)C1c2ccc(Cl)cc2 -MOL_01_015999,Nc1cccc(c1)CCc(n2)nc(=O)n(c23)cccc3N -MOL_01_016000,C=C(O)c1cc(C(F)(F)F)cc(C(=C)O)c1C2CCC(C(C)O)CC2 -MOL_01_016001,CNCOc1cccc(c1)NCc2nc(N)ccc2O -MOL_01_016002,Cc1ccc(cc1)C(=N)NC(C(=N)NCCN)Cc2cccc(Cl)c2 -MOL_01_016003,NC1(N)N=C(C)N=C(C)N1c2cccc(c2)CCc3ccccc3 -MOL_01_016004,c1cccc(c12)nc(C(=O)C)c(n2)Cc3cccc(C)c3 -MOL_01_016005,Clc1ncccc1CC(=O)CC(=O)c2ccccc2 -MOL_01_016006,CCCCC(=C)CN1CC(C(=C)C)=C(N(C)C1)N(CN)Cc2ccc(Cl)nc2 -MOL_01_016007,C=C(O)C1=CC(=CN(C)N1C)C(=O)Cc2ccc(C)cc2 -MOL_01_016008,CCCC(C(N)CC)c1ccccc1Cc2cc(ncn2)Cc3ccccc3CN -MOL_01_016009,c1cccc(c12)C(N)C(C2N)CNNNNCCCc3cccc(Cl)c3 -MOL_01_016010,c1ccccc1NC(=C)CC2C(=C)N(CC2CCN)c3ccc(CN)cc3 -MOL_01_016011,CCc1cc(N)cc(c12)cc(C)cc2OC(C)C(N)NC(CC3(C)C)CC(N3)(C)C -MOL_01_016012,Cc1ccc(C(C)C)cc1C(N)c2cnn(c2)-c3ccccc3 -MOL_01_016013,CC(=N)Nc1ccc(Cl)c(c1Cl)CCc2cccc(c23)cncc3 -MOL_01_016014,c1ccccc1CCC(O)Nc2ncccc2CN(F)F -MOL_01_016015,Oc1nnc(cc1C)CCc2ccc(C(F)(F)F)cc2F -MOL_01_016016,NCCc1ccc(cc1)-n2c(nnc2CCC(=O)C)CCc3ccccc3 -MOL_01_016017,Clc1c(Cl)cccc1NC(O)CCc2ccc(cc2)-n3ccnc3 -MOL_01_016018,Nc1cc(ccn1)C(O)Nc2cccc(c2)C(N)Nc3cncc(Cl)n3 -MOL_01_016019,C=C(O)c1cnc(C)n1CCn2cnc(c2)CNCCc3ccccc3 -MOL_01_016020,O=C(C)C(C1)CC(=O)c(c(Cl)cc2)cc2CC/C=C\CCc(nc13)ccc3 -MOL_01_016021,CCCCc1cn(nn1)C(CCCCN)C(O)N2CCNCC2 -MOL_01_016022,c1ccccc1C(c2ccccc2)C(=C)NCOCc3ccc(CN)cc3 -MOL_01_016023,Cc1ccc(cc1C)CNC(=O)CCC2CCCN(C2)Cc3cccc(c34)ONO4 -MOL_01_016024,CNc1cc(ncn1)Cc2ccc(cc2F)NC(=O)Nc3ccc(C)cc3 -MOL_01_016025,NC(N)(N)c1ccc(cc1)C2=C(C(N)CC2)c3ccncc3 -MOL_01_016026,CNc1ccccc1C(c2ccc(N)cc2)C(N)c3ccccc3 -MOL_01_016027,c1cccc(c12)cccc2OC(C)C(=N)N3CCN(CC3C)C(=N)c4ccccc4 -MOL_01_016028,Oc(c1)ccc(c12)cc(CN)c(c2)CCC(O)Nc3ccc(F)c(Cl)c3 -MOL_01_016029,COC(=O)N(C12)C(CC1)CC(O)(C2)CCc3cccc(C)c3 -MOL_01_016030,Nc1cccc(n1)NC(=O)c2cc(Cl)cc(c2)Cc3cnc(N)nc3 -MOL_01_016031,CC(C)Cc1ccc(cc1)CN2CCCC(C2)NC(O)Cn3ccnc3 -MOL_01_016032,c1ccccc1-c2ccc(c3c24)cccc3C(N)C4N -MOL_01_016033,c1ccccc1C(=N)Cc2nccnc2Nc3ccccc3Cl -MOL_01_016034,Cc1ccc(c(n1)N)C(N)C(CC2)CCC23CCCC3 -MOL_01_016035,Cc1cccc(n1)CN(C2)CCN(C23)CC(C3)Cc4cncnc4 -MOL_01_016036,Cc1cc(Cl)c(CNC(C)C)cc1CCC(=O)N -MOL_01_016037,CCc1cc(ccc1N)-c2ccc(C(C)=N)cc2 -MOL_01_016038,Cn1n(C)n(C)c(cn1C)C(=O)NCCc2ccccc2 -MOL_01_016039,c1ccccc1CCC2(C(=N)CCC)CCN(CC2)C(=N)c3cccc(n3)C -MOL_01_016040,c1nccnc1C(=O)NC23CCCC(C2)(CC3)CCc4ccccn4 -MOL_01_016041,NCc1c(Cl)c(CN)c(c(c1Cl)CN)Nc2cccc(Cl)c2N -MOL_01_016042,Cc1cccc(c1)C(O)NCC(O)CCc2nc(N)nc(n2)Nc3ccccc3C -MOL_01_016043,NOC(=O)NC(C)Cc1ccc(cc1)CCc2cnc(nc2)N3CCC3 -MOL_01_016044,CCCC(=O)NC(C)C(=O)CC(C(=O)C)Cc1ccc(cc1)-c2ccccc2 -MOL_01_016045,NNNC1NCN(CN1)CNC(c2cc(C)c(C)cc2)CN(N)C(=O)c3ccccc3 -MOL_01_016046,C1CCC1c2cc(C)c(cc2C(N)NC)C(N)N3CCC(CC3)c4ccc(CN)cc4 -MOL_01_016047,C=C(C)c(c1)cc2C(=O)C(C(=O)c(c2c13)ccc3)C(C(=O)C)CCC(=O)C -MOL_01_016048,NCc1cnc(cc1)CC(C)(C)C(=O)NC(C(C2)CC(C3)C4)C3CC24CC(=O)N -MOL_01_016049,NCNc1ccc(cc1)CCC(C)CN(C)Cc(n2)cnc(c23)cccc3 -MOL_01_016050,CCC(N)c1ccc(Cl)c(c1Cl)C(O)c2ccc(Cl)cc2 -MOL_01_016051,CCc1ccc(cc1)NC(N2)Cn(c23)nc(c3)C -MOL_01_016052,Cc1ccc(cc1C(=O)N)CCCNCC(C)CCc2ccccc2 -MOL_01_016053,CCc(n1)cc(c12)nn(nn2)CC(=O)C -MOL_01_016054,CCN(CC)Cc1cc(ccc1CN)C(=C)Nc2ccccc2C(=C)C -MOL_01_016055,CC(=N)c1cc(ccc1N)-c2ccc(N)cc2 -MOL_01_016056,C=C1C(Cl)=CC(C(F)(F)F)=CN1CC(=C)NCCc2ccc(CN)c(c2)CN -MOL_01_016057,NCCC(=C)CCc1cnccc1-c2cccc(CN)c2C -MOL_01_016058,C1CCCC(N)C1(C)c2ccccc2N -MOL_01_016059,CN(C)Cc1ccc(cc1)C(=N)Cn2ncc(cc2=N)CCc3ccccc3 -MOL_01_016060,Cc(c1)ccc(c12)c(C)c(c(c2)O)C(O)C(O)Cc3ccccc3C -MOL_01_016061,Cn1nccc1C(N)N2CCC(CC2)Cc3ccccc3 -MOL_01_016062,NCCCCC(N)C(=N)N(CCCC)Cc1c(cccc2)c2c(Cl)c(c13)cccc3 -MOL_01_016063,CC(C)C(N)C1CCc(n12)nnc2C(C)(C)C -MOL_01_016064,C1NNCc(c12)ccc(c2N)CC3=CCCC3 -MOL_01_016065,CCc1ccccc1CNC(=O)c2ccc(nc2)CCCC(F)(F)F -MOL_01_016066,Cc1ccc(cc1C)NC2CC(C(=O)N2)Cc3ccc(O)cc3 -MOL_01_016067,C1CCCC1CCC(O)CCc2ncnc(c23)cccc3 -MOL_01_016068,CCc1cc(c(C)nc1C)NCc2cc(C)c(C)nc2CN -MOL_01_016069,C=CC(=N)CCCCCn1cnc(c1)-c2cccc(c2)-c3ccccc3 -MOL_01_016070,c1ccccc1NC(=N)Nc2ccc(cc2)CCc(n3)ccc(n34)ncc4 -MOL_01_016071,CCC(=N)c1cccc(c12)nc3c(n2)cccc3 -MOL_01_016072,CCCc1cc(O)nc(n1)CCC(O)c2ccc(C)c(c2)C(N)(O)O -MOL_01_016073,CCCC(O)CCc1cc(cn1C)C(O)c2ccc(C)cc2 -MOL_01_016074,c1nnnc(n12)cc(c2C)-c3nnnnn3 -MOL_01_016075,c1ccccc1CC(=O)NC(C)C(=O)CC(C(=O)O)Cc2ccc(cc2)-c3ccccc3 -MOL_01_016076,CCCc1nc(C)nc(C)c1CCCc2cc(CN)ccc2CN -MOL_01_016077,C=C(C)c1cccc(c1)NC(=C)C2CCCN(C2)Cc3ccc(CN)cc3 -MOL_01_016078,CCCC(=O)c1cc(N)nc(n1)CCc(c2)ccc(c23)cccc3 -MOL_01_016079,O=c(o1)ccc(c12)ccc(c2)ONc3ccccc3 -MOL_01_016080,CC(C)(C)CC(=C)N1CCN(CC1)c2ncc(cn2)CCc3ccncc3CC -MOL_01_016081,NCc(c1)c(CN)cc(c12)nc(NCC)c(n2)NCCc3ccccn3 -MOL_01_016082,C1CCc(c12)ccc(c2)CCC(N)CC(O)CCc3cccnc3 -MOL_01_016083,c1cc(C)c(CC)c(c12)CC(=C)C(C2)C(=C)OOOOOOOC -MOL_01_016084,CCN1CCC(CC1)OC(=O)c2cc(C)c(N)cc2ON -MOL_01_016085,C1CC1C(N)(CN)NC(=O)CN2CCN(CC2)Cc3cccc(F)c3 -MOL_01_016086,O=C(N=1)C(=O)C=c(c12)cc3c(c2)CCCC3 -MOL_01_016087,NCc1c(N)ncnc1Nc2ccc(c(Cl)c2)CCc3ccccc3 -MOL_01_016088,c1cccnc1-c2nc(C)cc(n2)CCc3ccccc3N -MOL_01_016089,Cc1ccccc1CCc2ncc(Cl)c(n2)C(=O)Nc3ccccc3 -MOL_01_016090,CC1(C)CC(O)CC(C)(C1)CCc2ccccc2N -MOL_01_016091,NCCCC(=C)CN1CC(C(=C)C)=C(N(C)C1)N(CN)Cc2ccc(Cl)nc2 -MOL_01_016092,NCc1cc(N)c(C)cc1C(=C)NCC2CCCN(C2)Cc3ccc(C)cc3 -MOL_01_016093,O=C(N=1)C(=O)N=c(c12)ccc(n2)CCc3ccccc3 -MOL_01_016094,CCCC(=O)C1(C)CCCC1C(=O)c2c(N)cccc2N -MOL_01_016095,CCOC(=O)c1cnc(nc1N)CCC(=O)c2ccccc2 -MOL_01_016096,O=C1NC(CC1)C(C(=O)C)Cc2ccccc2 -MOL_01_016097,c1ccccc1C(=C)NC2CC(N(C2)C(=C)CN)C(=C)NC3CCCC3 -MOL_01_016098,Cc1cc(ON)c(cc1Cl)C(=N)NCCN(CCCN)Cc2ccc(Cl)cc2 -MOL_01_016099,Nc(c1)ccc(c12)cc(cc2)C(N)CCCc3ccc(F)cc3 -MOL_01_016100,c1ccnc(c12)CCN=C2Cn3ccnc3 -MOL_01_016101,c1cccc(c12)nc(CCC(=O)C)c(n2)CCc3ccccn3 -MOL_01_016102,C=C(C)c1cc(C)c(cc1CC)CC(O)CCC(O)C2CC2 -MOL_01_016103,CCc1ccc(C(C)N)cc1CC(N)c2ccc(cc2)-c3ccccc3 -MOL_01_016104,NC(=O)c1cncc(c1)CCc2cccc(c2)NC(=O)c3ccncc3 -MOL_01_016105,CCNC(=N)NC1(CCCCC1)C(=N)N2CCC(CC2)Cc3ccccc3 -MOL_01_016106,COC(N)c1ccc(cc1)NC(N)CN2CCN(CC2)c3ccccc3C -MOL_01_016107,CCc1cc(ccc1O)-c2ccc(cc2)C(=N)CCC(=N)NCCc3cccnc3 -MOL_01_016108,NCc1ccc(cc1)C(O)Cc2ccc(c(c2)CN)-n3cnc(Cl)c3 -MOL_01_016109,Clc1cc(ccc1)C(=O)Nc2cncc(c2)Cc3cncnc3 -MOL_01_016110,Nc1ccc(cc1N)CCC23CC4CC(C2)CC(C4)C3 -MOL_01_016111,CC(C)c1nc(CN)nc(c1CN)Cc2ccccc2 -MOL_01_016112,C1COCCC1NC(CC2)CC2(C(C)C)C(=N)N3CCC(CC3)c4ccccc4 -MOL_01_016113,O=C1C=C(C)N(C)C(=O)C12CC2C(=O)CC(C)C -MOL_01_016114,CC(N)c1cc(Cl)ccc1CC(N)c2ccccc2-c3ccccc3 -MOL_01_016115,CC(=O)NC(C1)CCc(c12)c(Cl)ccc2CN -MOL_01_016116,NC(N)c1c(N)c(N)cc(c1)CC2(CCCC2)c3cccc(c3)Nc4ccccc4 -MOL_01_016117,CCCc1ccc(cc1CN)NC(=O)CCc(c2)ccc(c23)CCC3 -MOL_01_016118,NCc1ccccc1C(=N)Nc2cccc(c2)NC(=N)C3CC3c4ccccc4 -MOL_01_016119,NCC(C)CC(CC)C(=N)CCc1ccc(N)c(C)c1 -MOL_01_016120,Nc1ccc(c(N)c1N)CC(O)CCC(O)C2CC2 -MOL_01_016121,CC(=O)c1cncc(c1)CC(=O)N2CCC(CC2)CCCc3ccccc3Cl -MOL_01_016122,c1cccc(c12)ccc(n2)C(=C)N(C)Cc3ccc(cc3)CCN -MOL_01_016123,CCc1ccc(Cl)cc1NC(N)Nc2ccc(cc2)C(N)N3CCCC3 -MOL_01_016124,c1ccccc1C2(C(=N)OC)CC2CC(CC3)CCC3(O)c4ccccc4 -MOL_01_016125,c1ccccc1NC(C(=C)C)Cc2ccc(cc2)-c3c(CN)cccc3CN -MOL_01_016126,CN(C)CCNc1ccc2C(=N)N(CCN(C)C)C(=N)c(c2c13)ccc3 -MOL_01_016127,c1ccccc1C(CN(CC2)CC2O)N(C)C(=N)Cc3ccc(cc3)CCCNCN -MOL_01_016128,Fc(c1)ccc(c12)CN(C2)C(N)Nc3ccc(cc3)C(N)N4CCN(CC4)CCCCCO -MOL_01_016129,Cc1ccc(cc1Cl)-n2nnc(c2C)Cc3ccc(CN)cc3 -MOL_01_016130,NC(N)(N)c1ccc(n12)ccc(c2)C3CCCCCC3 -MOL_01_016131,Nc1ccc(cc1N)COC(=C)NCC(c2ccc(CN)cc2)N3CCCCC3 -MOL_01_016132,CCCCc1ncc(cn1)CCc2ccc(cc2)CC(C)NC(=O)C3CC3 -MOL_01_016133,CC(C)CC(C(=N)O)NC(=N)NC1CCCc(c12)cccc2 -MOL_01_016134,CCC(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c34)ONO4 -MOL_01_016135,Clc1ccccc1C(N)Nc2ccccc2N3CCN(CC3)C(N)c4ccccc4 -MOL_01_016136,Cc1ccc(cc1)C(C)n2cnc(c2)C(=N)CCc3ccccn3 -MOL_01_016137,CCc1ccc(nc1)CCC(N)c2ccc(cc2)OC3CCN(CC3)C(N)COC -MOL_01_016138,C=C(C)c(c1)ccc(c12)cn(C)c2CCNN -MOL_01_016139,CCN(CC)CCNc1c(CN)cc(C)c(c12)cc3c(c2O)cccc3 -MOL_01_016140,Nc1nc(N)c(N)c(n1)-c2ccccc2 -MOL_01_016141,c1cnccc1-c2nc(CC)cc(n2)CCC(N)c3cccnc3 -MOL_01_016142,C1CCc(c12)cc(C(=O)CC)c(c2)CC(=O)CCCCc3ccccn3 -MOL_01_016143,c1ccccc1C(O)(c2ccccc2)C(=N)CN3CCN(CC3)Cc4ccccc4 -MOL_01_016144,Cc1ncncc1C(=O)Cc2ccc(cn2)-c3ccccc3 -MOL_01_016145,C1CCCCC1CNC(=N)c2ccc(cc2)NC(=N)N(C3)Cc(c34)ccnc4 -MOL_01_016146,C=CC(=O)c(c1)ccc(c12)NNC(N2)CCc3cccc(Cl)c3 -MOL_01_016147,CCC(O)C(CC1)CCC12CC(C2)C(O)Cc3cccc(F)c3 -MOL_01_016148,c1ccccc1C(CN)N2CCCN(C(CN)c3ccccc3)C2c4ccccc4N -MOL_01_016149,Cc1ccc(cc1)CC(O)(O)CCCc2nc(C)cc(C)c2CN -MOL_01_016150,c1cccc(c12)CC(C2=O)C(C)C(=O)Cc3ccccn3 -MOL_01_016151,CC(N)c1cc(ccc1N)-c2ccccc2 -MOL_01_016152,Nc1ccccc1NC(=C)c2ccc(cc2)CCc3nc(C)ccc3CN -MOL_01_016153,CCc1ccc(c(c1)CC)C(C2N)=CC(N)c(c23)cccc3 -MOL_01_016154,NCc1ccccc1C(C2O)CCc(c23)c(CN)ccc3CN -MOL_01_016155,NCc(c1)c(CN)cc(c12)ccnc2Cc3ccccc3Cl -MOL_01_016156,Cc1c(N)nc(N)c(c12)nc(N)cc2 -MOL_01_016157,Cc1cc(CN)c(C)c(C)c1CNc2c(C)nn(c2C)CCc3ccccc3 -MOL_01_016158,c1cccc(c12)C(=N)C(C2=N)(C(C)C)c3ccccc3 -MOL_01_016159,Nc1ccccc1C(CC2N)Cc(c23)cccc3 -MOL_01_016160,NCC(C)c1cc(ccc1)CC(C)CCc2nnc(n2CN)Cc3ccc(CN)cc3 -MOL_01_016161,NCCC(CCN)c1cn(cn1)Cc2ccc(cc2)C(=O)c3ccccc3 -MOL_01_016162,NCc1c(CN)cc(O)c(c12)c(N)cc(c2)-c3ccccc3 -MOL_01_016163,Cc1ccc(N)c(c1)N2CCN(CC2)C(C)NCCc3ccccc3 -MOL_01_016164,CCCNC(=O)C1=C(CCC1=O)Nc2ccc(C)c(C)c2 -MOL_01_016165,NCc1cccc(c1)NC(=O)Cn2cnc(c2)CN3CCCC3 -MOL_01_016166,NCc1ccc(cc1)C(CC2N)(CCC(C)C)Cc(c23)cccc3 -MOL_01_016167,NCc1ccccc1C(=O)NC(=O)CCC(=O)C2CC2 -MOL_01_016168,Clc1ccc(cc1)C(O)C(C)(Cn2cnnc2)c3ccccc3Cl -MOL_01_016169,c1ccccc1CC(O)NCC(c2cccnc2)N3CCCCC3 -MOL_01_016170,CC(C)NC(=N)c1cccc(c1)NC(=N)Nc2ccc(cc2)-c3ccnc(N)c3 -MOL_01_016171,COc1cc(OC)c(c(c1)OC)Cc2nc(O)c(nc2O)Cc3ccccn3 -MOL_01_016172,Cc1nn(C)cc1CNC(=C)C2CCC(=C)N(C2)CCc3ccc(CN)cc3 -MOL_01_016173,NCc1ccc(cc1)CC(=O)CCC(=O)c2cccnc2Cl -MOL_01_016174,CCc1ccc(cc1)C(C(=N)C2(N)N)C2c3cccc(N)c3 -MOL_01_016175,C=C(O)c1cccc(c1)C(C23CCCC3)CC(=O)C4(C2=O)CCCCC4 -MOL_01_016176,C1CCCCN1CCNC(=N)C2(C)CCCN2C(=N)c3ccccc3 -MOL_01_016177,c1cccc(c12)c(nnc2C)CC(=O)CCC(=O)c3ccccc3CN -MOL_01_016178,Cc1ncccc1CC2(CCNCC2)C(N)NCCC3CCCN3C -MOL_01_016179,Clc1ccc(cc1)NC(=N)CN(C)C(=N)CNC(=N)Cc2cccc(c23)cccc3 -MOL_01_016180,CC(=O)Cc(c1)ccc(c12)c3c(C2)cccc3N -MOL_01_016181,c1ccccc1C(C)C(C)C2=C(N)C(N)=C2Cc3ccncc3 -MOL_01_016182,CCC(O)Nc(c1O)c(C)nc(n12)ccc2 -MOL_01_016183,CCOC(O)c1cc(CN)c(nc1C)CCc2ccc(CN)cc2 -MOL_01_016184,NCC(=O)c1cc(Cl)c(cc1CN)NCc2ccccc2 -MOL_01_016185,CCc1ccccc1NC(=N)CN2CCN(CC2)C(=N)CNC(=N)Cc3cccc(c34)cccc4 -MOL_01_016186,CCc1ccc(cc1CC)C(=O)CCC(=O)n2nc(C)cc2C -MOL_01_016187,C1CCC1(O)CCC(N)CC(C)c2ccc(c(F)c2)CCC3CC3 -MOL_01_016188,OCC(N)(N)CC(=O)c1ccc(cc1)CC(=O)C(C2)Cc(c23)ccnc3 -MOL_01_016189,Cc1nccnc1C(=O)Cc2cnccc2C3CCCCC3 -MOL_01_016190,C1CCCCC1n2c(nnc2N)-c3ccc(cc3)-c4ccccc4 -MOL_01_016191,c1ncnn1C(C)C(Cl)Cc2ccc(nc2)C3CCCCC3 -MOL_01_016192,CN(C)CCCNc1ccc2C(=N)N(CCN(C)C)C(=N)c(c2c13)ccc3 -MOL_01_016193,NCNC(N(C)C)C1CC(C)(C)Cc(c12)ccc(Cl)c2 -MOL_01_016194,CN(C)C(O)c(c1)ccc(c12)cnc3c2cc(Cl)c4c3nccc4 -MOL_01_016195,NCc1ncccc1NC(=C)NCC(C)c2ccccc2CN -MOL_01_016196,Clc1ccc(cc1)CNC(=O)CN(CC)C(=O)CCCC(=O)Nc2ccc(C)cc2 -MOL_01_016197,Cc1cccc(n1)CC(=N)C2c(cccc3)c3Oc(c24)cccc4 -MOL_01_016198,CCOC(O)C(O1)C=Cc(c12)cc(cc2)C(O)(O)CC -MOL_01_016199,NC1CCC(CC1)Cc2nccn2-c3ccccc3 -MOL_01_016200,C=C(O)c1ccc(cc1)OCC(O)C(c2ccccn2)Cc3ccc(C)cc3 -MOL_01_016201,CN1CCN(CC1)C(N)c2ccccc2NC(N)c3ccc(C(C)(C)C)cc3 -MOL_01_016202,NCCc1ccc(cc1)Cc2nc(Cl)nc(c23)cccc3 -MOL_01_016203,NOCc1cccc(c1)-c2ccccc2C(N)NCC3CCNCC3 -MOL_01_016204,Cc1ccccc1C(C(=N)O)Oc2cc(ccc2CN)OCc3c(C)cccc3C -MOL_01_016205,Cc1ccc(cc1)-c(c2)cc(O)c(c23)c(C)c(CN)c(c3C)CN -MOL_01_016206,NC(O)COC1CCN(CC1)CCN(c2ccc(Cl)cc2)C(N)c3ccc(Cl)cc3 -MOL_01_016207,CCn1ccnc1CN(C)C(O)c2ccc(cc2)CC3CCN(CC3)CCc4ccccc4 -MOL_01_016208,c1cc(F)cc(c12)CC(=O)C(C2=O)C(=O)c3ccccc3 -MOL_01_016209,C1CCc(c12)ccc(c2)Cc3cc(C)nc(n3)Cc4ccc(cc4)-n5ccnc5 -MOL_01_016210,C1CCCCC1c2nc(C)nc(c2)CCc3nccn3C -MOL_01_016211,CCCC(N)CCc(c1)ccc(c12)c(N)cc(c2)-c3ccccc3 -MOL_01_016212,Cc(c1)ccc(c12)OC(O2)(C(C)(C)C)NC(=O)NCCON -MOL_01_016213,CCc1cccc(c12)nc3c(n2)c(C(N)O)ccc3 -MOL_01_016214,CC(C)(C)CC(=O)CC(C)C(=O)Cc1cccc(c1=2)=CC(N2)=O -MOL_01_016215,CCCC(O)c1ccn(c1C)-c2ccccc2CN -MOL_01_016216,c1ccccc1C2(CC(=N)C(C2=N)C3CC3)c4ccccc4 -MOL_01_016217,OC(O)(O)COC(CC)Cc1cc(C)c(O)cc1O -MOL_01_016218,CC(C)N1CCC(CC1)C(N)N2CCN(CC2)c3cccc(c3)C(N)O -MOL_01_016219,NCc1cccc(c1)OC(N)C2CCN(CC2)C(N)c3ccc(F)cc3 -MOL_01_016220,Clc1ccc(cc1)C(CCC)/N=C/Cc2ccccc2C(CN)C(=O)NC -MOL_01_016221,Nc1ncc(n1C)CNC2CC(=N)N(C2)CCc3ccc(F)cc3 -MOL_01_016222,CCCc1ncccc1CCc2nnc(C)c(C)c2CN -MOL_01_016223,Cc1ccc(cn1)C(N)N(CC2)CCC23CCC(C3)c4cnn(C)c4 -MOL_01_016224,CCOC(=O)c1nc(CN)n(C)c1C(=O)OCC -MOL_01_016225,Cc(n1)nc(C)c(c12)cc(cn2)CCCCN -MOL_01_016226,c1cccc(C(N)C2)c1CC23CCN(CC3)C(N)CCc4ccccc4F -MOL_01_016227,C=C(O)c1cc(CN)c(CN)cc1C(CN)C2CCC(C)CC2 -MOL_01_016228,Nc1ccccc1C(C2=O)CCc(c23)cccc3 -MOL_01_016229,Cc1cc(C)nc(n1)N2C(O)CCC2C34CC5CC(C3)CC(C5)C4 -MOL_01_016230,c1ccccc1C(=C)NC2CC(C(=C)NC(C)(C)C)N(C2)C(=C)CN -MOL_01_016231,Cc1ccnc(n1)NCc2ccc(cc2)NC(=O)Cc3ccc(F)cc3 -MOL_01_016232,CN(C)c1cc(ccc1N)CCc(c(N)c2)cc(c2=3)=NC(=O)C(N3)=O -MOL_01_016233,CCCCNC(=O)C1CCN(CC1)Cc2ccc(c(c2)CN)CCc3ccccc3 -MOL_01_016234,CCc1ccc(cc1)CC(C2N)=C(Cl)C(N)c(c23)cccc3 -MOL_01_016235,c1ccccc1C(=O)CC(C(C)(C)C2)C(C)c(c23)cc(cc3)CN -MOL_01_016236,c1ccccc1NC(=N)N(C2)CC23CCN(CC3)C(=N)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 -MOL_01_016237,CCC(=N)N(C)Cc1cccc(c1)-c2ccc(N)cc2 -MOL_01_016238,C1CC1n2c(C)nnc2CCC(=C)Nc3cccc(c3)CC4CCCC4 -MOL_01_016239,C1CCCCN1C(c(c(C)c2)cc(c23)CNC3)c4ccc(C)c(c4)CN -MOL_01_016240,C1COCCC1CC(=O)CC2C(=O)CCCC2Cc3cccc(C(F)(F)F)c3 -MOL_01_016241,CCc1ccc(cc1)-c(c2)cc(N)c(c23)cc(cc3)CCCN -MOL_01_016242,c1conc1C(NOC)c2ccccc2COc3cccc(C)c3 -MOL_01_016243,C1CCC1c2cc(C)c(cc2C(=N)N)C(=N)N3CCC(CC3)c4ccc(CN)cc4 -MOL_01_016244,Clc1ccc(C(F)(F)F)cc1NC(=N)CCNC(=N)c2ccccc2Cl -MOL_01_016245,CC(C)(C)CC(=O)CC(C(=O)C=C)c1ccc(cc1)-n2cccn2 -MOL_01_016246,c1cccc(c12)CN(C2)C(N)Nc3ccc(cc3)C4CCN(CC4)C(N)C5CCCC5 -MOL_01_016247,NCc1cc(ccc1)C(N)Nc2ccc(C)c(c2)C(N)Nc3cccnc3 -MOL_01_016248,c1ccccc1C(CNCN)(c2ccccc2)c3cccc(c3)ON -MOL_01_016249,CCCC(=O)Nc1ncc(c(n1)C)Cc2cc(CN)c(CN)cc2C(C)C -MOL_01_016250,Clc1cc(ccc1)CC(=O)c2cc(ccn2)Cc3cccnc3 -MOL_01_016251,COC(O)c1cccc(c12)C(NO)c3c2cccc3 -MOL_01_016252,CCC(O)c(c(O)c1)cc(c12)ccc(c2)CCCCCCN -MOL_01_016253,CC1CCCCC1NC(=O)CCC(=O)CCc2ccccc2F -MOL_01_016254,Cc1cc(N)cc(N)c1CCCC2CCCC2 -MOL_01_016255,NC(=O)C1CCC(CC1)CC(=O)c2ccccc2-n3ccnc3 -MOL_01_016256,CC(C)(C)c1ccc(Cl)cc1NC(O)CCN -MOL_01_016257,NCc1ccccc1N2CCN(CC2)C(N)C34CC5CC(C3)CC(C5)C4 -MOL_01_016258,CCCCCCN(C(=N)CC1)C(=N)C1(CC)c2ccncc2 -MOL_01_016259,CCN1C(=N)CCC1C(=N)NCc2ccc(Cl)c(C(F)(F)F)c2 -MOL_01_016260,CCc1ccc(cc1CC)CCNC(=O)C23CCC(C)(C(=O)C2)C3(C)C -MOL_01_016261,CCCCc1ncc(C(C)N)c(n1)Cc2cccc(c2)C(N)N -MOL_01_016262,C1CCCCN1CCC(O)Nc2ccc(Cl)cc2C(O)c3ccccc3 -MOL_01_016263,Cc1ccc(cc1)C(N)(N)C2CCCc(c23)cc(cc3)CC(N)(N)c4ccccc4 -MOL_01_016264,c1ccccc1C(N(C)C)CNC(=N)c2cccc(c2)CN3CCN(CC3)c4ccccc4 -MOL_01_016265,Clc1ccc(cc1)CCC(=O)Nc2cnc(nc2)N3CCCCC3 -MOL_01_016266,Cc1ccc(C(O)O)cc1N2CC(F)C2O -MOL_01_016267,C=C(C)c1ncn(n1)CCCCC(=O)c(n2)ccc(c23)cccc3 -MOL_01_016268,CCCC(=O)c1ccc(n1C)C(=O)C(C(=O)C)C(=O)CC(C)(C)C -MOL_01_016269,CC(C)(C)C(N)CCc1n(C)c(cc1)-c2ccncc2 -MOL_01_016270,NC1=NN=NC(N12)=NCC(C2)C(=O)c3ccccc3 -MOL_01_016271,Nc1nn(c(N)c1Cl)CC(=O)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_016272,O=C1C(=O)N=Nc(c12)cc(cc2)C(=O)c3ccccc3 -MOL_01_016273,C1CC1NC(=C)CCC(=C)c2cccc(c2)CNc3ccccc3CN -MOL_01_016274,c1ccccc1C(C2N)C(N)c(cccc3)c3c(c24)cccc4 -MOL_01_016275,NC1C(N)C=Cc(c12)ccc3c2CCCC3 -MOL_01_016276,c1ccccc1C(O)CCc2n(C)c(nn2)C(C3)CCc(c34)cccc4 -MOL_01_016277,Cc1ncc(c(n1)N)Cn2cnc(c2)CCc3ccc(Cl)cc3 -MOL_01_016278,NCc1ccc(cc1)-c2ccccc2-c(c3)ccc(c34)cc(cc4)CN -MOL_01_016279,CC(N)c1cccc(c12)Cc3c2ccc(c3)N -MOL_01_016280,CCC(=O)C(C)Cc1cccc(c1)-c2cnc(nc2)C3CCOCC3 -MOL_01_016281,CCc1cc(ccc1)CC2(C(=O)CCC)CCN(CC2)Cc3cnc(N)nc3 -MOL_01_016282,CC(=O)c1ccc(cc1)OCCCC(=O)N2CCN(CC2)Cc3ccc(C(C)C)cc3 -MOL_01_016283,CCNC(N)c1cnn(c1)-c2ccc(c(c2)CN)NCC(C)C -MOL_01_016284,C1CCCCC1NC(=N)CC2C(=N)NCCN2Cc3ccccc3C(F)(F)F -MOL_01_016285,Cc1ccc(cc1)C(=O)Cc2cc(C)nn(c23)cnn3 -MOL_01_016286,NCc1ccc(cc1)Nc2nc(N)nc(N)c2Cc3ccccc3 -MOL_01_016287,CC(=O)NC(C)C(=O)NCc1cccnc1Cc2ccccc2CN -MOL_01_016288,Fc1ccccc1C(=N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCCC4 -MOL_01_016289,NC(=O)c1nc(N)nc(n1)N2CC(C2)Cc3ccc(C(F)(F)F)cn3 -MOL_01_016290,C=C(O)c1cccc(c1)-n2nc(cc2O)Cc3ccccc3 -MOL_01_016291,C=C(N)c1ccc(N)c(c1)C2CCC(C)CC2 -MOL_01_016292,NCc1ccc(cc1)CC2c(cccc3Cl)c3C(N)c(c24)cccc4Cl -MOL_01_016293,CNc1ccc(cc1NC)CC(N)N(C)C2CCN(CC2)CCC(c3ccccc3)c4ccccc4 -MOL_01_016294,CCCC(=C)Nc1ccc(CN)cc1CN2CCCCC2 -MOL_01_016295,Nc1cc(ccc1)C(=NCC2(C)C)c(c23)cc(cc3)NNc4ccc(C(=N)N)cc4 -MOL_01_016296,n1cccnc1N2CCN(CC2)C(=C)c3cccc(c3)CNCCCc4ccccc4 -MOL_01_016297,c1ccccc1CN(C)C(=N)Cn2cccc2C(=N)c3ccccc3 -MOL_01_016298,CN1CC(=C(O)C1N)C(N)NCCCc2ccccc2C(F)(F)F -MOL_01_016299,CNc(n1)nc(C)c(c12)NCCN2 -MOL_01_016300,Oc1cc(Cl)cc(c12)cc(nc2O)Cc3cccc(Cl)c3 -MOL_01_016301,Clc1cc(ccc1)C(=N)Cc2cc(ccn2)Cc3cccnc3 -MOL_01_016302,C=C(O)c1cccc(c1)C(O)CC(CCN)CCc2ncc(C(F)(F)F)cc2Cl -MOL_01_016303,NC(C1)Nc(c12)cc(N)c(c2)CCn3ccnc3 -MOL_01_016304,Cc1cccc(c12)ccc(n2)C(N)Nc3cccc(Cl)c3 -MOL_01_016305,Nc(c1)cc(n12)c(nc(c2)N)CCc3ccccc3 -MOL_01_016306,Cc1cn(c(C)c1N)C(N)c2ccc(N)cc2N -MOL_01_016307,CCCCC(C=O)NC(=O)CC(CC)(CC)Cc1ccccc1 -MOL_01_016308,Cc1c(N)c(N)c(c(N)c1N)C(N)CC(C)CCC(C)C -MOL_01_016309,NC(N)(N)c1c(N)c(ccc1)CC(=N)CCc2cccc(Cl)c2 -MOL_01_016310,CCc1ccc(cc1)CCC(=O)CN(C(=O)C2)C(=O)C23CCCCCCC3 -MOL_01_016311,c1ccncc1N2C(CCC2N)C34CC5CC(C3)CC(C5)C4 -MOL_01_016312,Cc1ccccc1OCCCCCCc2c(CN)noc2CN -MOL_01_016313,Cc1cc(Cl)c(N)cc1CCc2nncn2-c3ccc(Cl)cc3 -MOL_01_016314,Clc1ccc(cc1)N2CCN(CC2)C(=N)C3CCC(=N)N(C3)C4CCCC4 -MOL_01_016315,CC(N)Nc1ccc(cc1)CCC(C)(C)C(N)Nc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_016316,c1cncn1-c2cnc(C)nc2-c3ccccc3 -MOL_01_016317,C1CCCCC12C(=C(C)C(C2)N)C(N)Cc3cccc(C)c3C -MOL_01_016318,CCCCC(C1C)CCc(c12)c(nnn2)C(=O)C -MOL_01_016319,Cc1ccccc1CC(O)OCC(O)c(c2)ccc(c23)OCC(=N3)O -MOL_01_016320,Cc1cccc(C)c1C(=O)NC(=O)Nc2ccccc2CN(C)C -MOL_01_016321,C1COCCC1CCC(=N)C2CCC(=N)C(C2)Cc3cccc(C(F)(F)F)c3 -MOL_01_016322,NCC(C)C1=C(C)CC(N)=C(CN)C1c2ccccc2 -MOL_01_016323,Cc1ccc(cc1)C(C=2)=CC(C23)=NC=NC3=N -MOL_01_016324,c1ccccc1C(C)NC(=N)c2cccnc2Cc3ccccc3 -MOL_01_016325,Cc1cc(C)n(n1)C(C)CC(N)Cc(c2)ccc(c23)CCCC3 -MOL_01_016326,c1ccccc1Cc2c(cc(C(=O)O)cc2CN)NCc3ccccc3 -MOL_01_016327,c1ccccc1C(C(=C)N)N2CCC(CC2)N3CCN(CO)C3=C -MOL_01_016328,Clc1cc(cc(n1)Cl)C(=C)CNC(=C)Cc2ccc(Cl)c(c2)CC3CNCNC3 -MOL_01_016329,Cc1ccc(cc1Cl)CC(=N)C2CC(=N)N(C2)CCc3ccccc3 -MOL_01_016330,Nc1cc(cnn1)-c2ccc(cc2)OC3CCC(CC3)C4CCC4 -MOL_01_016331,c1ccccc1C2=C(C(=N)CC2=N)Cc3cccc(Cl)c3 -MOL_01_016332,O=C1NCCCCC1NCN2CCCCCC2 -MOL_01_016333,CC(C)Cc(c1C)c(O)cc(c12)cc(cc2)CC(C)O -MOL_01_016334,Nc1cccc(c1)CCC2CCCCC2n3ccnc3 -MOL_01_016335,C1CC1CCc2c(cccc2C)C(N)NC(C3)(C(N)N)Cc(c34)cccc4 -MOL_01_016336,CC(C)(C)c1cccc(c1)CN2CCN(CC2)C3CC(=N)N(C3=N)Cc4ccccc4 -MOL_01_016337,Oc(c1)ccc(c12)ccc(c2)CC(O)C3CCCCC3 -MOL_01_016338,Cc1ccc(cn1)Cc2cccc(n2)NC(N)c3cccc(Cl)c3 -MOL_01_016339,N1NNNNN1CCC(=O)C(C)CC(=O)c2ccc(F)c(c2)CC3CCCCC3 -MOL_01_016340,CC1CCC(CC1)C(N)c(c2)ccc(c23)CCC(C3)N -MOL_01_016341,NC(N)(N)c1nc(CC)nc(c12)CCCC2 -MOL_01_016342,c1cccc(c12)CC(=N)CC2c3ccc(N)cc3N -MOL_01_016343,CCOC(N)C1CCC(CC1)C(N)Cc(c2)ccc(c23)C(C)(C)CCC3(C)C -MOL_01_016344,CCc1ccc(cc1)C(=O)Nc2cnn(c2)N3C(C)CCCC3C -MOL_01_016345,CCc1ccc(C)cc1NC(=O)Nc2cnc(nc2)N3CCCC3 -MOL_01_016346,Cc1c(C)cc(cc1C)CCC(O)Nc2cccc(c2)CC(C)O -MOL_01_016347,Nc1cccc(c12)C(c3c(C2N)c(N)ccc3)CCc4ccccc4 -MOL_01_016348,c1ccccc1NC(=O)N(C)CCCc2ccc(cc2)CC3CC(=O)NC3=O -MOL_01_016349,FC(F)(F)c1ccccc1CC2CCN(CC2)c3nccnn3 -MOL_01_016350,CC(=O)c1cc(CN)cc(c1)-c2ccc(Cl)cc2 -MOL_01_016351,CCC(N=1)=NC(=O)C(C12)=C3C(=C2)CCC3 -MOL_01_016352,Cc1ccc(cc1CN)-c2cccc(c23)CC(C3)CN -MOL_01_016353,Cc1ccc(cc1)C2CCC(N2)C(=O)O -MOL_01_016354,NC(C1)CCC2=c(cccc3)c3=C(N4N12)CCC(C4)N -MOL_01_016355,CCCCCCN(C)C(=N)Oc(c1)ccc(c12)CCC2CCCN -MOL_01_016356,Cc1cccc(n1)NC(N)c2c(C)cccc2C(C)N -MOL_01_016357,CC(C)(C1)Cc(c12)cccc2CCC(=O)CCC(=O)Nc3ccc(CN)cc3 -MOL_01_016358,NC(=O)Nc1ccc(cc1)CC(=O)c2cccc(c2)Nc3ccnc(C(F)(F)F)c3 -MOL_01_016359,c1ccc(c2c13)N=NC(=N)c2c(cc3)NCc4ccccc4 -MOL_01_016360,Nc1ccc(c(N)c1)Cc2ncnc(c23)cccc3 -MOL_01_016361,Cc1ccc(CN)c(n1)Cc2cccc(c2)NCc3ccc(Cl)cc3 -MOL_01_016362,CCCc1ccc(cc1)CNC(N)c2ccccc2NC(N)C3=NCCCC3 -MOL_01_016363,CC(=N)Nc1ccc(cc1)CNc2ccc(cc2)NC(=N)N(C3)Cc(c34)ccnc4 -MOL_01_016364,Cc1ccccc1CCNC(O)C2CCN(CC2)Cc3ccc(cc3)-n4ccnc4 -MOL_01_016365,C=C(C)c1c(C)ncnc1Cc2c(N)cccc2N -MOL_01_016366,NCC(N=1)=NC(=O)C(C12)=C3C(=C2)CCC3 -MOL_01_016367,n1ccn(c12)c(cc(n2)N)Nc3ccc(N)c(N)c3 -MOL_01_016368,NCCC12CC3C(C(C1)CC(C3)C2)NC(=O)C(C)(C)CCc4ccccc4F -MOL_01_016369,CCCN(C1=O)C(=O)N=C(C1=2)N=CN2 -MOL_01_016370,OCCN(C)C(C1N)=Cc2cccc(c2c13)ccc3 -MOL_01_016371,CCCC(N)C1CCN(CC1)Cc(c2N)ccc(c23)c(F)cc(F)c3 -MOL_01_016372,N=C(N)C1CCN(CC1)C(=N)C(C(C)C)NC(=N)c2ccc(C(C)(C)C)cc2 -MOL_01_016373,NOc1cncc(c1)CCc2ccccn2 -MOL_01_016374,CCCCC(N)c1cncn1C(C)c2ccccc2 -MOL_01_016375,C1COCCN1CCNC(=O)c2cccc(c2)CN(c3ccccc3)Cc4ccccc4 -MOL_01_016376,CC(C)(C)NCc(c1)ccc(c12)C(N)c3c(C2N)cccc3 -MOL_01_016377,CCCCc1c(O)nc(nc1O)CCC(=O)NCCc2ccc(OC)c(c2)OC -MOL_01_016378,CC(=O)Cc(c1)cc(N)c(c12)CCCC2 -MOL_01_016379,C1NCCN(C12)c3c(NC2O)cc(F)cc3 -MOL_01_016380,C=C(O)c1cnccc1Cc2cccc(N)c2 -MOL_01_016381,CN1CCC(CC1)N2CCC(C2)NC(N)c3ccc(cc3)CCc4ccc(F)cc4 -MOL_01_016382,Nc1ccc(cc1N)-n2cnc(c2)C(N)C3CC3 -MOL_01_016383,C1CCCCC1C(NC2Cl)=NC23CCN(CC3)CCCc4ccncc4 -MOL_01_016384,CCCCNC(=C)c1ccc(cc1)-c2cc(CN)c(C)c(c2)CN -MOL_01_016385,CCCC(CC(O)O)c1ccc(cc1)Oc2nccnc2CN -MOL_01_016386,NCCCC1CCC(CC1)Cc2ccc(CN)cc2N -MOL_01_016387,Cn1ccc(n1)C(N)N(C2CCCCC2)CC(N)Nc3cc(F)cc(F)c3 -MOL_01_016388,CC1=NC(C(N)(N)N)N(C(=N1)C)c2ccc(Cl)cc2 -MOL_01_016389,CC1CCC(CC1)C(CCCOC)C(=N)c2ccc(cc2)-n3ccnc3 -MOL_01_016390,Nc1ccc(c(N)c1)C2=CC(CC2)c3ccccc3 -MOL_01_016391,C=C(O)c1cn(c(n1)N)CNC(=O)Cc2ccccc2Cl -MOL_01_016392,CC(C)c1ccc(cc1)NC(N)CC(Cn2ccnc2)c3ccc(Cl)cc3 -MOL_01_016393,Cc1cc(C)n(c1)CCC(O)Nc2cc(Cl)ccc2CN -MOL_01_016394,Cn1ccc(n1)C(=O)NCC(CC2)CC23CCN(CC3)Cc4c(CN)cccc4CN -MOL_01_016395,CCOc1ccc(cc1Cl)C(N)Cc2ccc(cc2)CC3CCOCC3 -MOL_01_016396,Cc1cccc(c1CN)N2CCC(CN)CC2 -MOL_01_016397,CCCC(N)C(CC1)c(cccc2)c2C13C=CC(N)C=C3 -MOL_01_016398,CCc1c(CC)cc(cc1CC)CC(O)N2CCN(CC2)C(CN)c3cccnc3 -MOL_01_016399,Oc(c1)ccc(c12)cc(cc2N)C(N)NCCC3CCN(CC3)Cc4ccccc4 -MOL_01_016400,CCN1N=NN(CC)C(=N1)CCCCCC2CCC(CC2)c3nnnnc3F -MOL_01_016401,Cc1ccccc1C(=O)NCCC(=O)NC2=NCCC2 -MOL_01_016402,CCCC(O)C1CCC(CC1)c2ccc(C(O)CC)cc2N -MOL_01_016403,c1cccnc1C(N)Cc2cc(OC)c(cc2)CC(N)c3ccccc3Cl -MOL_01_016404,C=C(N)c1ccc(cc1)NC(c2ccc(C(F)(F)F)cc2)CC(N)c3cccc(C)c3 -MOL_01_016405,NCc1ccc(Cl)c(c1)Nc2nccnc2CCc3ccccc3 -MOL_01_016406,OCC(C)(C)CNC(=N)CC1C(=N)NCCN1CC(c2ccccc2)c3ccccc3 -MOL_01_016407,Cc1c(N)c(C)c(c(CN)c1N)C(=O)CCc2ccccc2 -MOL_01_016408,C/C=C/C(=O)C1=C(CCC1)c2ccc(N)c(N)c2 -MOL_01_016409,CC(=O)c1cc(Cl)ccc1CC(=O)CCCC(=O)Cc2cccc(c2)-n3ccnc3 -MOL_01_016410,C1CCC12CN(C2)CCCCC(N)Nc3ccc(cc3)-c4cccnc4 -MOL_01_016411,C1CCCCCC1NC(=N)C2CCN(CC2)C(=N)c3ccc(Cl)cc3 -MOL_01_016412,CCCC(=O)C1C(=O)CC(CC(=O)C)=CC1c2ccccc2 -MOL_01_016413,CCc1c(C)nc(nc1C(=O)C)-c2ccc(Cl)cc2 -MOL_01_016414,C1CCCCC1C(C(N)CC)c2ccccc2N -MOL_01_016415,C=C(C)c1ncn(n1)CC(=O)NC2CCN(CC2)Cc3ccccc3 -MOL_01_016416,NCc(c1C)c(C)cc(c12)CC(C)C(C)Cc3c2c(CN)c(c(c3)C)CN -MOL_01_016417,Nc1ncccc1C(c2ccc(Cl)cc2)OC3CC(C3)C(N)C4CCCCC4 -MOL_01_016418,NCc1cc(Cl)cc(c1)Cc2cc(nc(N)c2Cl)CCc3ccncc3 -MOL_01_016419,Cn1ncc(c1C)CN2CCCC(C2)CNC(N)CCc3ccccc3CN -MOL_01_016420,CCC(=O)C(C12)=C(CC(C1)CC2)c3ccc(N)cc3 -MOL_01_016421,NCc1ccccc1C(=O)CCC(=O)c2ccc(cc2)-n3ccnc3 -MOL_01_016422,Cc1cccc(c12)cc(c(c2)O)-c3ccccc3C(C)O -MOL_01_016423,Nc1cccc(c1)CC(=O)C2CCCC2 -MOL_01_016424,CCCCNc1ccc(cc1)C(N)C(c2ccccc2)CN3CCCCC3 -MOL_01_016425,Cc1ccccc1CN2CCC(CC2)Oc3ccc(cc3)C(N)CCc4ccccn4 -MOL_01_016426,CC(=O)CCCC(=O)Nc1ccc(nc1)Cc2ccc(C(C)(C)C)cc2 -MOL_01_016427,CC(=N)Nc1cc(ccc1C)C(=N)CCC(=N)c2ccc(Cl)cc2Cl -MOL_01_016428,CC(O)Cc1nc(C(Cl)(Cl)Cl)c(Cl)c(c1Cl)CC(C)O -MOL_01_016429,CN(C)C1CCN(C1)C(=N)N2CCC(C2)N(C)C(=N)c3ccc(cc3)-c4ccc(C(F)(F)F)cc4 -MOL_01_016430,C1CCCCC1C(C)CC(N)Cc2ccc(N)c(N)c2N -MOL_01_016431,NCc1ncccc1NC(=O)C2CCCCC2 -MOL_01_016432,NCc1ccc(cc1)C(=C)NCc2cccc(c2)-c3cccc(c3)CN4CCNCC4 -MOL_01_016433,CCc1c(CC)cc(cc1CC)C(O)N2CCN(CC2)C(CN)c3cccnc3 -MOL_01_016434,Cn1cnc(c1)CC2CCCC(C2)C(=O)Nc3ccc(F)cc3Cl -MOL_01_016435,O=C(N1)C(C)=CN(C12)c3c(N2)cc(C)cc3 -MOL_01_016436,COc1ccc(cc1C)CC(N)Cc2ccn(n2)Cc3ccccc3 -MOL_01_016437,C=C(O)c1ccc(cc1)Cn(c2C)cnc(c23)ncn3 -MOL_01_016438,Cc(n1)nc(C)c(c12)N=C(NC2)CCCc3ccccc3 -MOL_01_016439,CCCC(C1)c(ccc(c2)N)c2C13CCC(C(C)N)CC3 -MOL_01_016440,C=C(N)c1ccc(cc1)CC(N)C2CCN(CC2)Cc3cccc(c3)Cc4ccccc4 -MOL_01_016441,Nc(c1)cccc1C(C(C)N)(c(cc2N)ccc2)c3cccc(N)c3 -MOL_01_016442,CC(C)(C)CC(=C)NCC(=C)N1CC(CC1C(=C)CN)NC(=C)c2ccccc2 -MOL_01_016443,CCCC(N)Nc1ccc(-c2cccc(c2)C(N)O)c(c1)-c3ccccc3 -MOL_01_016444,Nc1ccc(cc1)-c2cccc(c2)CC(N)c3ccccc3 -MOL_01_016445,C1CCCCN1C2CC(C(=C)N=C)N(C2)Cc3ccc(CN)cc3 -MOL_01_016446,Clc1cc(Cl)ccc1CC(C)CC(N)Cc2ccc(CN)cc2 -MOL_01_016447,Cc(n1)c(C)nc(c12)ccc(c2)C(=O)Cc3ccc(F)cc3 -MOL_01_016448,c1cccc(c12)cc(O)c(c2C)C(CC(C)N)c3ccccc3 -MOL_01_016449,NCC1CC(Cl)CN1C(=O)CNC23CC4CC(C2)CC(C4)C3 -MOL_01_016450,CN(C)CCNC(O)c1ccc(cc1)NC(O)c2ccc(cc2)-c3ccccc3 -MOL_01_016451,NCc1ccc(cc1)CNC(=C)C2CCN(CC2)C(=C)c3ccc(cc3)-c4ccccc4 -MOL_01_016452,CC(N)c1ccc(cc1)NC(N)CN2CCN(CC2)c3ncccn3 -MOL_01_016453,COc1ccccc1CC(C)Cc2ccnc(n2)C3NNCO3 -MOL_01_016454,C1CCN(C)C1(C)C(=C)Nc2cc(CN)c(CN)c(c2)CN -MOL_01_016455,CCc(c1)ccc(c12)cc(N)cc2-c3ccc(C(N)(N)N)c(N)c3 -MOL_01_016456,NCc1ccc(cc1)CC2(CC)CCC(CC2)c3cc(N)ncn3 -MOL_01_016457,Cc1cc(C)cc(c1)NC(=O)CCc2cc(CN)c(CN)c(c2)CN -MOL_01_016458,CC(=N)C1CCCN1C(=N)CCCCCN2CCN(CC2)c3ccccc3Cl -MOL_01_016459,C1CCCCN1Cc2c(C)ccc(c23)c(cc(c3)N)CCCCC(C)N -MOL_01_016460,NCC(=C)NCC(=C)NCC1(CCCC1)c2c(C)cccc2C -MOL_01_016461,NCc1c(C)cc(cc1)C2=C(C(=C)CC2)c3cc(CN)c(CN)c(c3)CN -MOL_01_016462,C1CCCN=C1C(=C)CC(N)C(=C)Nc2cccc(c2)CN3CCCCC3 -MOL_01_016463,CNC(=N)C1CCN(CC1)Cc2cccc(c2)NC(=N)c3ccc(Cl)cc3 -MOL_01_016464,Cc(c1)ccc(c12)ncnc2Cc3ccc(N)c(N)c3 -MOL_01_016465,c1ccccc1CN(CCCCCN)C(=N)C(N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_016466,c1cnccc1-c2c(C)n(C)cc2-c3ccc(N)cc3 -MOL_01_016467,CCc1ccc(cc1F)CC(C)C(N)Cc2c(C)nn(C)c2C -MOL_01_016468,CC1=C(CN)C(C(CN)=C(C)C1)c2ccccc2CNN -MOL_01_016469,CC1C(=N)C2CCCc(c2c13)cc(c3)CC(=N)c4ccccc4F -MOL_01_016470,C=C(O)c1cccc(c12)ccc(n2)C(N)N -MOL_01_016471,N1NC1C(=O)c2ccc(cc2)CCNCC3CNC(C3)CCc4ccccc4Cl -MOL_01_016472,c1cccc2c1c(=N)n(c(=N)c(c23)cccc3)C(C)C(=N)NCc4ccccc4 -MOL_01_016473,CCc1ccccc1NC2=CC(N)C(=CC2N)Nc3ccccc3CC -MOL_01_016474,Fc1ccccc1C(=N)C(C2)C(=N)Cc(c23)ccc4c3cccc4 -MOL_01_016475,CCCCCCC1(C(N)NC(N)NC1N)c2ccc(cc2)-c3ccccc3 -MOL_01_016476,Cc1ccc(c(n1)N)C(N)N(C2CC2)Cc3cccc(F)c3 -MOL_01_016477,Cc1ccccc1CCNC(=N)C2CCC(=N)N(C2)Cc3ccc(Cl)cc3 -MOL_01_016478,C=C(C)c1ccccc1C2c(c(C)ncn3)c3Cc(c24)ncnc4C -MOL_01_016479,Cc1cc(n(n1)C)C(O)NCC(CC2)CC23CCN(CC3)Cc4ccc(F)cc4 -MOL_01_016480,Clc1ccc(cc1Cl)NC(=O)CCCNC(=O)c2ccncc2 -MOL_01_016481,CCc1ncc(cn1)C(=O)N2CCN(CC2)c3ccn(C)c(=O)c3 -MOL_01_016482,c12c3c(C(=N)N1)cccc3c(cc2)N(C)Cc4ccc(cc4)CN5CCNCC5 -MOL_01_016483,c1cccc(c12)nnn2C(O)c3ccc(F)cc3F -MOL_01_016484,C1CCCC1CCC(=C)Nc2ncccc2CCCCCN -MOL_01_016485,C1CCCCN1C(N)c2ccccc2CCc3ccc(Cl)nc3 -MOL_01_016486,Cc1c(CN)cc(cc1CN)C2CC(CN)c(c23)cc4c(c3)CNC4 -MOL_01_016487,C1CCC(=O)C(=C12)N(CC(C)C(=O)C)N=NN2CC -MOL_01_016488,Cc1cc(O)nc(n1)CCc2nnnn2-c3ccc(Cl)cc3 -MOL_01_016489,c1cccc(c12)CC(C2)CC(=N)Nc3ccc(cc3)C4CCNC4 -MOL_01_016490,Nc1cccc(c1)CCc2cc(N)nc(n23)ccc3 -MOL_01_016491,Cc1ccccc1C2NC(N(N)N)Nc(c23)cccc3 -MOL_01_016492,Cc1cc(C)nc(n1)CC2CC(=N)C(C2=N)c3ccc(C)c(C)c3 -MOL_01_016493,CCN1CCCC1CNC(O)c2c(C)ccc(Cl)c2CN -MOL_01_016494,NCNc1c(F)cc(cc1)C(C)C(O)NCc2ccc(Cl)cc2 -MOL_01_016495,O=C1N=CN=c(c12)cc3c(c2)=CC=C3 -MOL_01_016496,CC(C)Cc1ccc(cc1)-n2ccc(c2)C(=O)c3cc(CN)c(CN)c(c3)CN -MOL_01_016497,Cc1nn(c(C)c1C)CCC(N)N2CCCC(C2)CCc3cccnc3 -MOL_01_016498,CCCC(=O)c1ccccc1CC(=O)C2CC(=O)C(C2)c3ccccc3 -MOL_01_016499,NCc1cc(ccc1)NC(=N)C(C(C)C)NC(=N)Cc2cccc(c23)cccc3 -MOL_01_016500,Cc1cccc(c1)C(=O)NCCCc2cccc(n2)C -MOL_01_016501,C1CCc(c12)ccc(c2)CC(O)CCC(O)c3ccc(Cl)nc3 -MOL_01_016502,Cc1ccc(cc1)-c2cnn(c2)-c3nccc(n3)C(C)(C)C -MOL_01_016503,COc(c1)cc(O)c(c12)c(O)c(c(c2)C)C(C)O -MOL_01_016504,NCC1CCCC1C(=O)CCC(=O)c2cccc(c23)ccc(Cl)c3 -MOL_01_016505,CC(O)CCC(C(C)(C1)C(N)(N)N)=Nc(c12)cccc2 -MOL_01_016506,C1CCCCC1OC(=N)CCc2n(CC)c(nn2)COc3cccc(c34)cccc4 -MOL_01_016507,Nc1cc(F)cc(F)c1C(N)CC(CC2CCCC2)c3ccccc3 -MOL_01_016508,CCC(O)NCC1CCc2c(CN)ccc(c2c13)ccc3CN -MOL_01_016509,C1C(C2)CC(C3)CC1CC23C(=N)N4CCN(C(N)C4)c5cccnc5 -MOL_01_016510,Cc1nc(C)c(c(n1)CN)-c2ccc(cc2)CCCN -MOL_01_016511,CN(C)CCCc1cc(ccc1C)C(O)Nc2ccc(cc2)-c3ccncc3 -MOL_01_016512,C1CCCCN1C(CCN(C)C)c2ccc(N)c(N)c2 -MOL_01_016513,Clc1ccc(cc1)NC(O)CCC(O)c2nc(Cl)ccc2Cl -MOL_01_016514,NCc(c1)ccc(c12)CC(CC2)C(N)c3ccc(CN)c(CN)c3CN -MOL_01_016515,Cc1ccc(cc1)C(=O)c2ccccc2C(=O)CCC(=O)Nc3ccc(CC(F)F)cc3 -MOL_01_016516,NOc1ccc(cc1)C(=N)N(CCC2)CC23CCN(C3)Cc4ccccc4ON -MOL_01_016517,Cc1ccc(cc1)C(N)Cc2c(C)cc(cc2N)-c3ccccc3 -MOL_01_016518,CCc1ccccc1C(=O)C2CCC(CC2)Cc3nc(C)c(C)nc3C -MOL_01_016519,NCc1ccccc1C(c(c2)ccc(c23)CCC3)CC(N)N4CCCC4 -MOL_01_016520,C1CC1C(=O)CC(C)C(=O)Cc2cc(N)cc(N)c2 -MOL_01_016521,c1ncncc1Cc2cn(C)c(nc2=O)CCc3ccccc3 -MOL_01_016522,c1cccc(c12)c3c(cc2)CC(CC3N)c4cccc(O)c4 -MOL_01_016523,C=C(C)c1cc(CN)c(CN)cc1C(=O)Cc2ccc(C)cn2 -MOL_01_016524,CC(O)CC(C(C)C)Cc1cc(N)ccc1CN -MOL_01_016525,Cc1cc(F)cc(C)c1NC(O)C(N)C(C)C -MOL_01_016526,CCN(CC)c1nc(CCC(F)(F)C(F)F)nc(n1)Nc2cccc(c2)C(=O)C -MOL_01_016527,Oc1cc(ccc1)N(C)C(N)c2cccc(c2)-c3ccccc3O -MOL_01_016528,CC(C)(C)c1ccc(CN)c(c1)NC(=O)Cn2cnnn2 -MOL_01_016529,CCCOc1ccc(cc1)N2CC(CC2=N)C(=N)Nc3cccc(Cl)c3 -MOL_01_016530,NCc(c1)c(CN)cc(c12)nc(NCC)c(n2)NCCc3ccncc3 -MOL_01_016531,CC(N)Nc1ccc(cc1)CCCCC(N)N2CCN(CC2)C(c3ccccc3)c4ccccc4 -MOL_01_016532,c1cccc(c12)C(=N)N(C2=N)CCCCCN3CCN(CC3)c4ccccc4 -MOL_01_016533,Nc1ccc(c(N)c1)Nc2cc(N)nc(n23)ncc3 -MOL_01_016534,NCc1cc(O)n(c1)Cc2cccc(c2)NC(O)c3ccccc3 -MOL_01_016535,Nc1ccccc1CC2CC(=NC2N)Cc3ccccn3 -MOL_01_016536,CCCCCCC(=C)CCn1nc(N)c(c12)cccc2 -MOL_01_016537,C1CCCC12CC(=N)N(C(C2)=N)CCCN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_016538,CCN1CCC(C1)CNC(=N)C2(CC2)c3ccc(N)cc3 -MOL_01_016539,NCc1cc(N)c(Cl)cc1C(=C)NC2CCCCN(C2)C(C)C -MOL_01_016540,Clc1cc(ccc1)CCC(=O)C2NCC(CN2)Cc3ccc(F)cc3 -MOL_01_016541,Cc1ccc(cc1C)NC(=C)Cc2nnc(n2C)CCC(=C)NC3CCCC3 -MOL_01_016542,CCCCc1nnc(C)n1Cc2ccc(cc2)-c3ccccc3C(N)O -MOL_01_016543,C1CCCCN1C(=O)Cc2cccc(c2)NC(=O)N3CCCCC3 -MOL_01_016544,N=C(N)c1cccc(c12)CN(C2=N)CC3CCN(CC3)Cc4ccc(F)cc4 -MOL_01_016545,Cc1c(C)c(C)c(C)c(c12)CC(C)(CC2)C(=O)NCCc3ccc(CN)c(c3)CN -MOL_01_016546,c1ccccc1OCC(N)CCC(c2ccc(Cl)cc2)C3CCOCC3 -MOL_01_016547,NOc(cc1)cc(c12)C(=N)C(C2)CC3CCN(CC3)Cc4ccccc4 -MOL_01_016548,NCc(c1)c(C(=C)C)cc(c12)nc(C)c(n2)C -MOL_01_016549,NCc1c(Cl)c(Cl)c(c(Cl)c1Cl)CC(N)Cc2ccccc2 -MOL_01_016550,CCN(CC)CCCC(NC(C)N)(c1ccccc1)c2ccccc2 -MOL_01_016551,NNCCc1ccc(cc1O)CCC(O)c2ccccc2 -MOL_01_016552,NCc1ccc(N)cc1CCC2CCCC2 -MOL_01_016553,CCc1ccc(C(=O)C)cc1CC(CN)(C(=O)CC)Cc2cc(C(=O)C)ccc2CC -MOL_01_016554,CCOC(N)C1CCC(CC1)C(N)c2ccc(cc2)CCC3(O)CCCCC3 -MOL_01_016555,CC1(C)CC(O)C=C(C1O)c2ccccc2CN -MOL_01_016556,Cc1ccc(cc1)-c2ccc(cc2)CCC(O)NCCc3ccc(CN)c(c3)CN -MOL_01_016557,Cc1nc(C)c(CN)c(c1CN)-c2ccc(CN)cc2 -MOL_01_016558,Cc1ncc(cc1C)C(=O)OCC(=O)NC2CCCCCC2 -MOL_01_016559,CCCCc1c(N)cc(C(=O)CC)cc1CC -MOL_01_016560,OC(O)CCCCCCC(O)N(CC1)CCC12CCN(C2)c3ccncc3 -MOL_01_016561,c1ccccc1CCC(=C)NC(O)C(=C)N2CCCC2CN -MOL_01_016562,NOc1ccccc1CNC(=N)COC(=N)c2ccc(cc2)C(=N)c3ccccc3 -MOL_01_016563,c1ccccc1NNc2ncn(c23)CCCC3 -MOL_01_016564,NCCCN(C=1O)N(C)C(O)=c(c12)c(F)ccc2 -MOL_01_016565,CCN(CC)Cc1ccc(cc1)C(N)N(C2CCNC2)CCc3c(Cl)cccc3Cl -MOL_01_016566,Cc1cc(C)cc(c1)-c2c(N)cc(cc2NN)C(N)c3ccc(cc3)CCCN -MOL_01_016567,NC(N)(N)C(=O)N(C)c1cc(C)nc(c1)CCc2cccc(Cl)c2 -MOL_01_016568,CC(C)Cc1ccc(cc1)CNCCC(c2ccc(CN)cc2)c3ccccc3CN -MOL_01_016569,Cn1nc(N)c(c1N)CC2CCC(CC2)Cc3ccc(Cl)cc3CN -MOL_01_016570,O=C1CCCC1N2CCN(CC2)c3cnccn3 -MOL_01_016571,Cc(c1)cc(C)c(c12)C(=O)\N=N\CCCC(C)CC(=O)C2 -MOL_01_016572,Clc1ccc(cc1)Cn2cnc(c2)C(N)NCC3CCN(CC3)CCc4ccccc4 -MOL_01_016573,C1CCCCN1CCC(N)Nc2ccc(cc2)-c3cccnc3 -MOL_01_016574,NC1CCCN1C2CCC(CC2)C(N)Cc3ncc(cn3)-c4cc(F)cc(F)c4 -MOL_01_016575,C=C(O)c1cccc(c1)C(=O)C2C(=O)CC(=O)CC2=O -MOL_01_016576,COc1ccc(cc1)C(=N)C(C(C)=N)CCC2CCN(CC2)Cc3ccccc3 -MOL_01_016577,Nc1ccc(n12)ccc(c2)C3CNCNC3 -MOL_01_016578,Fc1ccccc1CC(N)N(CCC)CC(N)Nc2ccccc2OC -MOL_01_016579,c1ccccc1C(O)(CC(C)C)C(=N)CN2CCN(CC2)Cc3ccccc3 -MOL_01_016580,Cc1ccc(cc1)CC(c2ccccc2)CCN3CCC(O)CCC3=O -MOL_01_016581,CN1CCN(CC1)CCNC(=O)Nc2nccnc2CCc3cccc(Cl)c3 -MOL_01_016582,Nc1nc(N)nc(n1)-c2ccc(cc2)Cc3ccc(Cl)cc3Cl -MOL_01_016583,C=C(O)c1cccc(c1)Cn2cc(cc2O)Cc3ccccc3 -MOL_01_016584,CCC(C)(C)NCC(C1O)=C(C)C(O)c(c12)cccc2 -MOL_01_016585,OCc1c(C)ccc(c12)c(C)c(c(c2)O)-c3cccc(c3)C(O)N(C)C -MOL_01_016586,NCc1cn(cn1)-c2cccc(n23)ncc3 -MOL_01_016587,Cc1ccc(cc1)CCC(N=2)=NC(C23)=NC(N)=NC3=O -MOL_01_016588,c1ccccc1C(C(=N)N)(c2ccc(N)cc2)CCn3ccnc3N -MOL_01_016589,c1ccccc1C(c2ccccc2)CC(=N)N3CCN(CC3)C(CN)c4ccncc4 -MOL_01_016590,Cc1nc(CO)cc(c12)cc(O)cc2CN -MOL_01_016591,NCC1CCCN1C(=N)CNC(C)CC(=N)NC(C)(C)c2ccccc2 -MOL_01_016592,NC1=CC=C(C1=2)C=C(C(C)O)C2CC(O)Cc3ccccc3 -MOL_01_016593,CCCCCCCCCCC(C1N)=CC(N)c(c12)cccc2 -MOL_01_016594,c1cccc(c12)CC(=O)C(C)(C)C2C(=O)CCc3ccccc3CN -MOL_01_016595,c1cccc(c12)cccc2C(=C)NC(C(=C)NCCN)Cc3cccc(C)c3 -MOL_01_016596,Cc1cc(C)c(c(C)c1)CC(N)c(c2)ccc(c23)nccn3 -MOL_01_016597,CC(=O)C1(C)C=C(CC1)C2=NN(C)N=NN2C -MOL_01_016598,CC(C)C(=O)c1cccn(c1=O)Cc2ccc(C(N)(N)N)cc2 -MOL_01_016599,CCCCc1nnc(C)n1Cc2ccc(cc2)-c3ccccc3C(=O)C -MOL_01_016600,Cc1cc(C)nc(n1)N(CN)CC(N)N(C(C)C)c2ccccc2 -MOL_01_016601,C1CC1C(=N)c2ccc(cc2)OCCCN3CCC(C3)NCc4ccc(Cl)cc4 -MOL_01_016602,CNc1ccc(cc1NC)CCC(Cc2ccc(C)cc2)C(N)(N)c3ccc(C(C)(N)N)cc3 -MOL_01_016603,C1CCCCC1c2nc(N)cc(n2)Cc3c(N)cccc3N -MOL_01_016604,CC(O)Nc1cccc(c1)C(O)Nc2ccccc2N3CCCCC3 -MOL_01_016605,FC(F)(F)c1c(CC)ccc(c12)c(ccc2)C(=O)CC(C(=O)C)CCC(=O)C -MOL_01_016606,C1NNNCC1C(N)c2cc(CC)n(n2)-c3ccccc3 -MOL_01_016607,O=C(O)CCC(=O)C(CCCN)NC(=O)Cc1ccccc1 -MOL_01_016608,NCc1ccccc1CCN(C2O)C(O)c(c23)cccc3 -MOL_01_016609,C1CCCCC1C(C)CCc2cc(N)c(N)cc2N -MOL_01_016610,C=C(C)Nc1ccc(CN)c(c1)NC(C)C(=C)Nc2cccc(c2)CN3CCCCC3 -MOL_01_016611,C=C(C)c1cc(ccc1Cl)C(=O)CCc2cn(CN)nc2N -MOL_01_016612,NCCC(CC)CCc1ccnc(n1)-c2ccc(C(F)(F)F)nc2 -MOL_01_016613,CC1(C)ON(OC1(C)C)CC(CCC)C(O)(C2CC2)c3ccccc3 -MOL_01_016614,NC(N)(N)c1ccc(cc1)C(CC2)CC2(N)c3ccccn3 -MOL_01_016615,CCc1ccc(cc1)CC(O)C(N)Cc2nc(N)cc(n2)N -MOL_01_016616,CNNc1ccccc1CC(N)N(C)C(CN2CCCC2)c3ccccc3 -MOL_01_016617,Clc1ccc(cc1)CNC(=N)C2CCCN2C(=N)Nc3ccc(F)cc3 -MOL_01_016618,C1CC1CC(=N)Nc2ccc(C)c(c2)-c3ccc(cc3)C(=N)NCC4CC4 -MOL_01_016619,CCCc1c(N)cnn(c1=O)-c2ccccc2 -MOL_01_016620,CC(C)(C)NC(=O)Nc1ncccc1CCc2ccccc2 -MOL_01_016621,CC1CCN(CC1)CC(N)Nc2cccc(c2)C(N)Nc3cccc(C(F)(F)F)c3 -MOL_01_016622,CCN1CNC(N)C12CCN(CC2)CCCC(N)c3ccc(F)cc3 -MOL_01_016623,C=C(O)c(c1)cc(C)c(c12)CC(=O)CN=C2c3ccccc3 -MOL_01_016624,c1ccncc1N(C)c2cncc(c2)NC(O)c3cccc(c3)CN -MOL_01_016625,CC(=N)c1cccnc1CC2COOC2OOc3ccccc3 -MOL_01_016626,c1cccc(c12)c(nnc2C)CC(=O)CCC(=O)Cc3ccc(Cl)cn3 -MOL_01_016627,CCc1ccc(cc1)C(=O)NCCc2nnc(n2C)CCC(=O)Nc3ccccc3 -MOL_01_016628,Cc(c1)ccc(c12)nc(nc2C)CCC(C)O -MOL_01_016629,CCCCCC(C)(C(N)(N)N)C(=O)Cc1ccc(CN)c(Cl)c1 -MOL_01_016630,NCc(c1)ccc(c12)CN(C2)C(N)Nc3ccc(cc3)C(N)NCC4CCCC4 -MOL_01_016631,O=C1CCCC(=O)C1c2cc(C(=C)O)c(cc2)C(CN)CCCN -MOL_01_016632,NCNc1ccn(n1)Cc2ccc(Cl)cc2Cl -MOL_01_016633,NCc1cccc(c1CN)C(NC2N)Cc(c23)cccc3 -MOL_01_016634,FC(F)(F)c1cc(ccc1)NC(N)c2cccc(c2)NC(N)c3ccccn3 -MOL_01_016635,Fc1ccc(cc1)-c2ccc(C)c(c2)NC(=N)c3cccnc3 -MOL_01_016636,Cc1ncc(c(n1)C)Cc2cc(CN)c(c(c2)CN)CCC(O)c3ccc(Cl)cc3 -MOL_01_016637,Cc1cccc(c1)OC(N)CCc2cccc(n2)N -MOL_01_016638,CCCC(=O)Cn1cccc(c1=O)CC(=O)c2ccccc2 -MOL_01_016639,Cc1cccc(C)c1NC(Cl)CCc2nc(C)c(c(n2)C)NC(Cl)C -MOL_01_016640,CN(O)c1cccc(c1)NC(O)c2ccccc2NC(O)C3CCCCC3 -MOL_01_016641,CCCCc1nc(O)nc(O)c1-c2ccccc2 -MOL_01_016642,NC(O)CCCCCCC(N)N(CC1)CCC12CCN(CC2)c3ccncc3 -MOL_01_016643,c1ccccc1C(C(C)C)(CN)CCCN2CCN(CC2)CCCc3cccc(c3)CN -MOL_01_016644,CCNc1nc(nc(n1)NCC)CCCCC(=O)Nc2ccc(Cl)cc2Cl -MOL_01_016645,Cc1cccc(c1)OC(c2ccccc2)CCOc3ccc(cc3)CC4CC(=O)NC4=O -MOL_01_016646,CCc1c(N)cc(C)cc1C2CC(=O)CC2=O -MOL_01_016647,Cc1cccnc1NC(=C)CCc2ccccc2CN -MOL_01_016648,CC1(C)CC(=O)C(CN)=C1c2ccc(CN)cc2 -MOL_01_016649,NCCCCNC(=O)CCc1ccc(cc1Cl)CNCc2ccccc2 -MOL_01_016650,Cc1c(C)c(O)cc(c12)cc(cc2)CCC(C)O -MOL_01_016651,n1cccc(c12)ccc(c2C)C(O)NCc3ccc(F)cc3 -MOL_01_016652,NOc1cc(cc(c1)ON)C(=N)NC2CCN(CC2)Cc(c3)ccc(c34)cccc4 -MOL_01_016653,NCc(c1)ccc(c12)CC(CC2)CNCCCc3ccccn3 -MOL_01_016654,Cc1cccc(c1)C(N)Cc(c2)ccc(c23)nc4c(n3)cccc4 -MOL_01_016655,c1cccc(c12)c(nnc2)CCc(n3)cn(c34)cccc4 -MOL_01_016656,C=C(O)c1ccc(nc1)Cc2ccccc2CN -MOL_01_016657,NCc1c(Cl)cccc1CCC(O)CN2CCCC2Cc3ccccc3 -MOL_01_016658,Nc1cc(N)c(cc1C)CCCCN -MOL_01_016659,c1cccnc1NC(=N)c2cccc(c2)CN(c3ccc(ON)cc3)Cc4ccccc4 -MOL_01_016660,CCC(=O)c1cnccc1CC(=O)Cc2cccc(c23)cccc3 -MOL_01_016661,FC(F)Cc1ccc(cc1)C(C)N(CC2)C(N)CC23CCC(O)CC3 -MOL_01_016662,CCC(=O)C1c(nnnn2)c2CCc(c13)nnnn3 -MOL_01_016663,c1cncn1C2CC(=O)C(C2=O)c3ccccc3 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-MOL_01_016717,CCC(=O)Nc1cccc(c1)CCC(=O)N2CC=CC2C(C)C -MOL_01_016718,Cc1cnc(c(C)c1)NC(=O)COC(=O)C2CCCC2 -MOL_01_016719,CC(=O)CCc1ccc(cc1Cl)NC(=O)CCc2ccc(CN)cc2 -MOL_01_016720,CNC(=C)Nc1ccc(cc1)C(C)(C(N)(N)N)C(=C)CN -MOL_01_016721,Oc(c1)ccc(c12)ccc(c2)CCC(O)CCCCn3ccnc3 -MOL_01_016722,Cc1cc(N)cc(c12)cc(cc2)CC(N)CCCCc3ccccn3 -MOL_01_016723,N=C(O)CCCNC(=N)c1ccccc1NC(=N)Cc(c2)ccc(c23)cccc3 -MOL_01_016724,CC(C)(C)NC(O)c(c1)ccc(c12)nccn2 -MOL_01_016725,CCCOc1ccc(cc1)C(N)Nc2cccc(n2)NCc3ccccc3 -MOL_01_016726,CC(N)CCNC(N)c(nc1C)c(C)c(c12)ccc(c2)Cc3ccccc3 -MOL_01_016727,C=C1C(=O)C(CC(C)C)=C(C1=O)N2N=NN(C)N=N2 -MOL_01_016728,CC(C)C(N)Nc1cccc(c1)CN2CCC(CC2)C(N)NC3CCCCC3 -MOL_01_016729,Fc1ccc(cc1)CNC(=N)COC(=N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_016730,C1CCc(n12)nnc2NC(=O)CC3CCOCC3 -MOL_01_016731,CCc1ccc(cc1)NCCC(=O)c2cccc(c2)CC3CNNNC3 -MOL_01_016732,NCc1ccc(cc1)Cc2nc(C)cc(n2)Oc3ccc(cc3)C(N)c4ccc(O)cc4 -MOL_01_016733,Nc1ccc(cc1)-c2cc(CN)c(c(N)c2CN)-c3ccc(cc3)CCc4ccccc4 -MOL_01_016734,CCCc1ccc(cc1)Nc2nnc(c(n2)C)Cc3ccc(CN)cc3 -MOL_01_016735,CCCNC(O)c1ccccc1NC(O)C2=CCCCC2 -MOL_01_016736,C=C(N)c1cccc(c12)nc3c(n2)cc(N)cc3 -MOL_01_016737,Cc1ccccc1C(=N)NCC2(CCCCC2)N3CCN(C)CC3 -MOL_01_016738,Cc1ccc(cn1)C(N)CCCCCC(N)c2ccc(Cl)cc2 -MOL_01_016739,CCc1ccc(N)c(N)c1C2CC2CC -MOL_01_016740,CCCCCCC(O)Nc1cc(CN)nc(n1)CN -MOL_01_016741,C1C(C2)CC(C3)CC1CC23CC(=N)NCC(=N)OCc4cc(=N)oc(c45)ccc6c5cccc6 -MOL_01_016742,c1ccccc1C(=N)Cc2cc(ccc2N)-c3ccc(N)cc3 -MOL_01_016743,Cc1nc(C)c(c(n1)CN)-c2ccc(cc2)N3CCCCC3 -MOL_01_016744,c1cccc(c12)ccc(c2)CC(N)C(N)N3CCC(CC3)n4ccnc4 -MOL_01_016745,CN(C)CCNC(O)Cc1cc(ccc1O)N2CCN(CC2)c3ccccc3 -MOL_01_016746,Clc1ccc(cc1)CC2(CN)CCC(CC2)Cc3ccc(N)c(N)c3 -MOL_01_016747,c1ccccc1CCC(=O)CC(=O)NC2CCCC2=O -MOL_01_016748,Cc1ccc(cc1)CNc(c2)ccc(c23)n(N)c(n3)N -MOL_01_016749,CC(C)CC(=O)c1c(CN)cc(CN)cc1CCC(C)CNC(C)(C)C -MOL_01_016750,CCCC(=O)C(N=1)=NC(=O)C(C12)=CC(=C2)CC -MOL_01_016751,CCc1cccc(c1)N2N=CC(N2)C(=O)CCc3cccnc3 -MOL_01_016752,CCc1ncc(cn1)C(N)N(C)C(C)c(c2)ccc(c23)CCCC3 -MOL_01_016753,Cn1cccc1C(=N)NC(=N)CCC(=N)c2ccc(O)cc2 -MOL_01_016754,Cc1nc(C(C)C)c(Cl)nc1C(=O)Cc2cccnc2 -MOL_01_016755,CNC(=C)CN1CCN(CC1)C(=C)Nc2cccnc2CCC -MOL_01_016756,CN1CCN(CC1)C2CCN(C2)Cc3cn(nn3)Cc4ccccc4Cl -MOL_01_016757,CCCC(O)CC1=C(CCC1O)c2cccc(c2)C(N)(N)N -MOL_01_016758,Cn1ncc(Cl)c1C(=O)C2CCC(CC2)c3ncccn3 -MOL_01_016759,Cc1ccn(n1)CCNC(O)c2ccc(cc2)NC(O)N(C3)Cc(c34)cccc4 -MOL_01_016760,C1NONCC1CC(N)C2CCC(CC2)c(n3)ccc(c34)cccc4 -MOL_01_016761,C=C(O)c1nccn1CC(O)CCCn2c(C(=C)O)cnc2C -MOL_01_016762,c1ccccc1CC(N)N(CCCNC)Cc2ccccc2-c3ccc(cc3)CN4CCN(C)CC4 -MOL_01_016763,CNNCCc1cc(ccc1CC)CC(=O)C2CNNNC2c3ccccc3 -MOL_01_016764,C=C(O)c1cnc(C)n1CCCc2ccc(C=O)cc2CCC -MOL_01_016765,Oc1c(N)c(N)c(cc1N)OCCCCN2CCN(CC2)C(c3ccccc3)c4ccccc4 -MOL_01_016766,CCCCC(N)c(c(N)c1)cc(c12)cc(C)c3c2cccc3 -MOL_01_016767,COc1ccccc1CN(C)C(N)CN2CCN(CC2)CC(N)Nc3ccccc3Cl -MOL_01_016768,C=NC(=O)CCC(=O)N1CCC(CC1)Cc2ccc(cc2)-n3ccnc3 -MOL_01_016769,CC(N)NCCC1Cc2cccc(c2c13)ccc3CN -MOL_01_016770,Nc1ccccc1C(N)CCCC2CCCC2 -MOL_01_016771,NCc(c1)ccc(C2)c1C(c(c23)cccc3)CNCN4CCCCC4 -MOL_01_016772,CCc1ccc(nc1)CCC(C2N)C(N)c(c23)cccc3 -MOL_01_016773,c1ccccc1CC(C(=C)C)NC(=C)C2CCC(CC2)CNC(=C)C(N)C(O)O -MOL_01_016774,CC(C)CCC(C1N)=CC(N)c(c12)cccc2 -MOL_01_016775,CC1(C)CC(CC(N1)(C)C)N(C)C(N)c2ccccc2C(N)O -MOL_01_016776,Cc1ncc(c(n1)N)CNC(O)CCc2ccccc2Cl -MOL_01_016777,Cn1cnc(n1)CC(=O)C2CC(=O)C(C2)c3cccc(F)c3 -MOL_01_016778,Cn1ccc(n1)CC(N)c2cn(cn2)Cc3cccc(Cl)c3 -MOL_01_016779,CC1CCCC(C)C1C(=O)CCC(=O)c(n2)ccc(c23)cccc3 -MOL_01_016780,NC(N)N(CC1)CC1(N)C(=O)Nc2cccc(c2)Oc3ccccc3 -MOL_01_016781,C=C(O)c1ccc2C(=O)C(CCC(C)C)C(=O)c(c2c13)ccc3 -MOL_01_016782,C=C(O)c1ccc(c(C(F)(F)F)c1)C2CCC(CC2)c3ncccn3 -MOL_01_016783,CCc1ccc(cc1)NC(=O)CCC(=O)C2CC(=O)N(C2)c3ccc(C)cc3 -MOL_01_016784,C1CCCC1CNC(=O)C(=O)NCc(c2)ccc(c23)CCC3 -MOL_01_016785,Cc1cc(C)c(c(n1)O)CNC(O)NCCCNc2ccccn2 -MOL_01_016786,C1CC(C)CCC12c3c(cccc3)C(C2)c4cccc(c4)C(N)(N)N -MOL_01_016787,NCc(c1)cc(CN)c(c12)c(cc(c2)N)-c3cccc(c3)-c4ccc(CN)c(F)c4 -MOL_01_016788,Cc1cc(C)c(c(n1)C)CC(=O)CC(=O)c2cccc(F)c2 -MOL_01_016789,CC1(C)CC(N)C(C1)c2cnc(cn2)CCc3cccc(F)c3 -MOL_01_016790,C1CCCC1C(C(=N)CC(C)C)Cc2ccc(N)cc2N -MOL_01_016791,Cc1cc(C)n(n1)CCN(CC2)CCc(c23)cc(CN)c(CN)c3CN -MOL_01_016792,Nc1ccc(c(N)c1)C2CCC(=N2)c3c(N)cccc3N -MOL_01_016793,CNC(=O)Cc1cccc(c1)CCc(n2)ccc(c23)cccc3 -MOL_01_016794,NCNC(C(O)CN)Cc1ccc(cc1)CCc2ccccc2 -MOL_01_016795,CC(C)c1ccc(cc1)NC(=O)CC(Cn2ccnc2)c3ccc(F)cc3 -MOL_01_016796,c1ccccc1CC(C(=C)C(=C)N)NC(=C)CCC(=C)c2cc(CN)ccc2CN -MOL_01_016797,NCc1cccc(c1)CNc2ccc(cc2)-c3cccnc3 -MOL_01_016798,CC1(C)CC(N)c(c12)ccc(c2)Cc3ccncn3 -MOL_01_016799,C1CCCCC1(CN)CC(=O)c2nccc(c23)cccc3 -MOL_01_016800,CC(C)Cc1cccc(c1)N2CC(C2)Cc3ccc(cc3)C(C)NC(C)N -MOL_01_016801,Cc1ccc(cc1)C(N)(N)Cc(c2)cc(c3c24)CCC(N)C3CC4 -MOL_01_016802,Cc(c1)ccc(c12)CN(C2)C(=N)Nc3ccc(cc3)C(=N)NCC4CCCC4 -MOL_01_016803,Cc1cccc(c1)N(C(O)C2CCCC2)CC(O)N3CCCCC3 -MOL_01_016804,CC1(C)CCC(C)(C)c(c12)cc(cc2)C(N)Cc3ccc(C(N)O)c(F)c3 -MOL_01_016805,COc1cccc(c12)C(NNN2)NNCCCCCc3ccccc3 -MOL_01_016806,Cc1ccc(cc1C)CNc2ccc(cc2)C(=O)NCCN3CCCCC3 -MOL_01_016807,NCc1ccccc1CNC(=C)CNC(=C)C(NC2)Cc(c23)cccc3 -MOL_01_016808,CCC(N)c1c(C)cccc1CCCCNc2ccc(CN)cc2 -MOL_01_016809,NC(N)Cc(c1C(=C)O)nc(n12)cccc2 -MOL_01_016810,Cc1cccc(c1)CCC(N)c2ccccc2N -MOL_01_016811,c1ccccc1NC(=O)CC(C2=O)CC(N23)=NCC3 -MOL_01_016812,Nc1c(C)cc(cc1C)CCCC(C)N -MOL_01_016813,CCCCCC(CCN)C(O)CCc1ccccc1 -MOL_01_016814,C1COCCC1CCCC(=N)c2ccc(cc2)-c3c(CO)ccc(c34)cccc4 -MOL_01_016815,Cc1ccc(Cl)cc1CC(N)c(c(N)c2)cc(c23)cc(CCl)cc3 -MOL_01_016816,Clc1cnc(cc1)CNC(O)Cc2cccc(Cl)c2Cl -MOL_01_016817,C=CC(=O)C(CC(C)C)NC(=O)NCc1cn(cn1)Cc2cccc(c2)C(=C)O -MOL_01_016818,Cc1nc(C)nc(C)c1C(c2c(C)nc(C)nc2C)c3cn(nc3C)-c4ccccc4 -MOL_01_016819,Cc1ccc(cc1Cl)NC(N)c2cccc(c2)-n3ccnc3 -MOL_01_016820,C=C(O)c1ncn(n1)CCCN2CCN(CC2)c3ccc(C(F)(F)F)cc3 -MOL_01_016821,CC(C)(C)c1ccc(cc1)C(C)N(CC2)C(N)CC23CCC(O)CC3 -MOL_01_016822,CC(=O)NC(C)Cc1ccc(cc1)CCc2ccnc(n2)N(C)CC(C)C -MOL_01_016823,CCc1ccc(N)c(c1)-c2cccc(CC)c2N -MOL_01_016824,NCC(CN)C(CC1(C)C)C(C1)Cc(n2)cnc(c23)cccc3 -MOL_01_016825,CCCCc1cc(ccn1)CNC(O)Nc2cccc(c2)C(C)O -MOL_01_016826,NCc1ccc(cc1)CC2(C(=C)N=C)CCN(CC2)C3CCCCCCC3 -MOL_01_016827,CC(=O)C(N)CCCCNC(=O)CCc1ccc(Cl)cc1Cl -MOL_01_016828,CCc1ccc(C(C)CC)c(N)c1C(N)c2cccc(N)c2 -MOL_01_016829,CC(N)c1ccccc1Nc2ccc(cc2)NC(N)C3CCNCC3 -MOL_01_016830,CNc1cc(Cl)ccc1C(N)(c2ccccc2)c3cccnc3 -MOL_01_016831,Cn1cnnc1C2CCN(CC2)C(O)CCCc3ccccc3Cl -MOL_01_016832,NCc1c(CN)cc(cc1CN)C(=C)c2ccn(c2)-c3cccc(C)c3 -MOL_01_016833,Nc1cccc(c1)Cc2ccc(n23)c(N)ncc3 -MOL_01_016834,C1CCCN1Cc2c(C)cc(cc2C)Oc3ncccc3CN -MOL_01_016835,c1ccccc1-c2ccc(N)c(c2)NC(=N)c3ccc(cc3)CNc4ccncc4 -MOL_01_016836,CC(=N)c1ccc(cc1)N2CCN(CC2)CC(=N)Nc3ccccc3N4CCOCC4 -MOL_01_016837,c1cncc(c12)ccc(n2)C(=N)CCc3ccccc3 -MOL_01_016838,c1ccccc1C(C)(C)CCC(N)c2cncc(n2)CC(CO)c3ccccc3 -MOL_01_016839,Cc1cccc(c1)CN2CCN(CC2)C3CCN(C3)Cc4cn(cn4)CCCCN -MOL_01_016840,C1CC1N2CCN(CCC2)C(N)c3ccc(nc3)Cc4ccc(Cl)cc4 -MOL_01_016841,CCCOc1ccc(cc1)Cc2c(C)nc(CC)nc2OC -MOL_01_016842,c1ccncc1CCC(O)CNCCc2ccc(cc2)NC(O)Cc3ccccn3 -MOL_01_016843,Cc1cccc(c1)C(=O)CCC(=O)CC(=O)CC2CCCCC2 -MOL_01_016844,NC1(N)C(CC2)CCC12CN(C)CCN3CCN(C3N)c4cccc(Cl)c4 -MOL_01_016845,CCCC(=O)c1cc(CN)c(C)cc1Cl -MOL_01_016846,CC(=O)C1CCC(CC1)C(=O)Cc2cccc(c2)NN -MOL_01_016847,Nc1ccc(cc1C)CCC(=O)C2CCCC(C)CC2 -MOL_01_016848,CC1(C)NC(=C)N(C1=C)CC(=C)CCC(=C)Nc2cccc(c2)CN -MOL_01_016849,CC(C)c1cccc(c1)C(N)C(C)Cc2nccn2CC(F)(F)F -MOL_01_016850,Nc1c(N)cccc1C(CC)c2ccc(N)c(c2)NC -MOL_01_016851,CN(C)C(O)(N(C)C)C(=O)Nc1ccc(cc1)C(=O)c2ccccn2 -MOL_01_016852,NC(N)(N)C(N)CC(C1)c(cc(CC)cc2)c2C13CCCCC3 -MOL_01_016853,NCc1c(C)cc(cc1C)C(=C)N(CCC2)C23CCN(CN)CC3 -MOL_01_016854,c1ccc(N)c(c12)CC(CC2=N)c3ccc(N)cc3 -MOL_01_016855,Cc1ccccc1NC(N)CCC(N)c2cccnc2 -MOL_01_016856,c1ccncc1NC(N)CCc2ccc(cc2)C(N)c3ccccc3Cl -MOL_01_016857,c1ccccc1CCNC(=N)Cn2cccc2C(=N)c3ccccc3 -MOL_01_016858,COc1ccc(cc1)COc(c2)ccc(c23)cc(cc3)CC(C(N)N)NC(N)c4ccccc4 -MOL_01_016859,c1cnccc1CNC(=C)C(=C)NCC2CCCCN2Cc3ccc(F)cc3 -MOL_01_016860,CCC(N)Cn1ccnc1Cc2ccc(cc2)-c3ccccc3 -MOL_01_016861,c1cccc(c12)CC(=O)CC2(C(N)(N)N)CCC3CC3 -MOL_01_016862,Cc1cccc(c1)-n2ncc(N)c(c2=O)CN -MOL_01_016863,Nc1ccc(cc1)C(N)Cc(n2)ccc(c23)cccc3 -MOL_01_016864,C=C(C)c1nnc(C(=O)CCC)c(n1)CC(=O)C -MOL_01_016865,CCc1cccc(CC)c1NC(=N)N(CC(=N)O)CC(=N)O -MOL_01_016866,NCCCN1C(CN=C1C)Cc2ccccc2 -MOL_01_016867,Cc1nccnc1CN(CC2)CC23CCCN(C3O)C4CCCCC4 -MOL_01_016868,C1CC1C(C)(CN)NC(=O)CN2CCN(CC2)Cc3ccccc3CN -MOL_01_016869,c1cccc(c12)cc(O)c(C(=C)O)c2C3CCCCC3 -MOL_01_016870,c1cccc(c12)C(C)C(=NC2C)CCCCNN -MOL_01_016871,Nc1cc(ccn1)NC(N)c2ccc(Cl)cc2Cc3ccc(F)cc3Cl -MOL_01_016872,FC(F)(F)C(O)(C(F)(F)F)CC(N)C(C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 -MOL_01_016873,c1ncnn1CC(N)NC(O)Nc2ccc(F)cc2CNC3CC3 -MOL_01_016874,Cc1cc(C)c(c(C)c1)C(O)c2c(C)cc(C)cc2C(O)CN -MOL_01_016875,COc1ccc(cc1)C(c2ccc(OC)cc2)CCCN3CCCC(C3)C(N)O -MOL_01_016876,N/C=C(\C)c1nc(nc(n1)N(C)C)CCCNC(=O)CCc2ccc(Cl)cc2C -MOL_01_016877,NCc1ccc(cc1CN)C(=C)NCC(=C)CCC(=C)Nc2ccccc2CN -MOL_01_016878,CCCC(CCC)C(=O)Nc1nnc(n12)CCC2 -MOL_01_016879,Cc1ncncc1-c2ccc(CN)c(c2)CN -MOL_01_016880,Cc1c(C)c(C)c(nc1C)Nc2ccc(N)nc2 -MOL_01_016881,C1CCC(N)c(c12)ccc(C)c2CC(N)C(C)(C)Cc3ccccc3 -MOL_01_016882,CNc(c1)ccc(c12)c3c(cc2)C(N)=C(CN)CC3 -MOL_01_016883,CC(=O)c1ccccc1CCC(=O)Cc2nc(N)cc(n2)N -MOL_01_016884,c1cccc(c12)C(=N)C(=NC2=N)CCC3CCCCC3 -MOL_01_016885,CNC(=O)CCc1nnn(-c2ccccc2)c1CCC(=O)NC -MOL_01_016886,Cc(c1)ccc(c12)nc(nc2C)CCCCN -MOL_01_016887,CC(C)n1cnnc1CCC(=C)Nc2cccc(c2)CN(C)c3ccccc3 -MOL_01_016888,C12CCC(C1)CC2C(C)CC(=O)CCC(=O)c(n3)ccc(c34)cccc4 -MOL_01_016889,Nc1cc(N)cc(c1)C2=NC(N)C(N)c(c23)cccc3 -MOL_01_016890,CC(C)(C)CC(=N)C1=C(C)CC(=N)CC1c2cccc(c23)cccc3 -MOL_01_016891,c1cccc(c12)c3c(cc2)C(CC3=N)c4cccc(c4)C(N)(N)N -MOL_01_016892,CC(C)c1nn(C)c(CN)c1CNCCC(=N)NC2CCCCC2 -MOL_01_016893,Cc1ccc(cc1)/C=N/c(c2)ccc(c23)C(N)N(C3N)N4CCCCC4 -MOL_01_016894,CCc1ccc(CC)c(c1)CN2CCN(CC2)C(O)CNC(O)c3ccccc3F -MOL_01_016895,CCC(=O)C(C(C)C)CC(=O)CCc1ccccc1N -MOL_01_016896,NOc1ccc(cc1ON)C(C(C)C)(CN)CCCN2CCCCC2 -MOL_01_016897,CCCC(O)C(O)Cc1ccc(N)cc1C -MOL_01_016898,NCNc1nccn1CC(C)c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_016899,CCCCNC(N)c1ccc(Cl)cc1NC(N)c2ccccc2F -MOL_01_016900,CCc1ccc(cc1)CCNC(N)C(N)Nc2cnccc2C -MOL_01_016901,C1CCCCN1C(O)N2CCN(C(O)C2)c3ccc(Cl)cc3 -MOL_01_016902,CC(=O)c1nnnc(C)c1CC(=O)Cc2nnnc(n2)C(F)(F)F -MOL_01_016903,CCCC(C(C)N)Cc1ccc(cc1)CCCN2CC=C(CC2)c3cnccn3 -MOL_01_016904,Cc1cc(O)cc(c12)c(C)c(cc2)CC(C)C(O)NCc3ccccn3 -MOL_01_016905,CCCC(=O)c1cccc(c1)NC(=O)Nc2cc(CN)ccc2CN -MOL_01_016906,C1COCCC1(C(=N)N=C)COc2ccc(cc2)CCc3ccc(cc3)CN4CC(C)OC(C)C4 -MOL_01_016907,CCc1ccc(cc1F)CN(C(C(N)N)CC(C)C)C(N)Nc2ccccc2 -MOL_01_016908,CC(=O)CCC(=O)NCCCCc1cccc(c1)CN2CCCCC2 -MOL_01_016909,NCc1ccc(cn1)C(N)Cc2ccc(cc2Cl)C3CCCCC3 -MOL_01_016910,c1ccccc1CC(C2(CC)CC)C(C2=N)C(=N)NCc3ccccc3 -MOL_01_016911,CCCC(N)c1cncc(c1)CC(N)c2ccccc2 -MOL_01_016912,CC(=O)C1CCCN1C(=O)CCC(=O)C(CC(C)C)CC(=O)C2CCCC2 -MOL_01_016913,Nc1ccc(c(N)c1)C(N)CCCC2CCCCC2 -MOL_01_016914,c1ccccc1C2(CCN(C(C)=N)CC2)C(=N)CCc3ccc(Cl)cc3 -MOL_01_016915,C=C(O)c1ccc(cc1N)-c2ccc(C(C)O)cc2 -MOL_01_016916,CC1CC(C)(C)Cc(c12)cc(CN)c3c2cc(N)cc3 -MOL_01_016917,CCc1ccc(cc1)C(N)CC2(CCCC2)C(N)c3ccccc3 -MOL_01_016918,NCc1ccc(cc1)Cc2ncc(N)c(n2)C(N)c3cccc(F)c3 -MOL_01_016919,CC(=O)c1ccc(cc1)Cc2ncc(C(=C)O)c(n2)Cc3ccccc3 -MOL_01_016920,NC(C1)CCCN1Cc(c(c23)ccc(c2)CN)cc4c3cc5c(c4)CNC5 -MOL_01_016921,CCCN1CCN(CC1)C(=N)Cn2cccc2C(=N)c3ccccc3 -MOL_01_016922,c1ccccc1C(C)C(=N)n2cnc(n2)CC(CC34)C(C3)CC4 -MOL_01_016923,Cc1cc(n(n1)C)NC(O)NCC(N(C)C)c2ccc(CN)cc2 -MOL_01_016924,NCCNC(=C)c1cn(nn1)-c2ccc(cc2)CCCCCCCC -MOL_01_016925,Cc1cccc(c1)NNN(O)c(c(c2)ON)cc(c23)CNO3 -MOL_01_016926,c1ccccc1C(C)NC(=N)Cc2cccc(c2)-c3ccc(cc3)CCC(=N)O -MOL_01_016927,C=C(O)c1nc(C)n(C)c1C(=O)C -MOL_01_016928,C=C(O)c1ccccc1CC(=O)CCC2=C(C(=O)CCC)C(C)CC(=O)C2 -MOL_01_016929,NCc1ccc(cc1)NC(=C)NCCN2CCN(CC2)c3ccc(Cl)cc3 -MOL_01_016930,Cc1cccc(c1)CCC(O)N2CCN(CC2)Cc3cncn3Cc4ccc(CN)cc4 -MOL_01_016931,Clc1cccc(Cl)c1CN(C)CCCCC(=O)N(C)Cc2ccc(cc2)C3=NCCN3 -MOL_01_016932,Nc1ccccc1C(=C)NCC(=C)NC2CCN(C2)Cc3ccc(Cl)cc3 -MOL_01_016933,CC(=N)Nc1ccc(cc1)CNCCC(=N)C2CCc(c23)cccc3 -MOL_01_016934,NCCC(=O)C1CCCC(C1)Cc(c(Cl)c2)cc(c23)CCC(=O)C3 -MOL_01_016935,Cn1cc(cn1)CCCNCc2cccc(c2)C3(CNC3)Cc4ccccc4 -MOL_01_016936,c1cccc(c12)ccc(c2)C(=N)NCCN3CCC(=NC3)c4ccc(F)cc4 -MOL_01_016937,O=C1C=CC=C1c2ccnc(n2)CCCc3cccnc3 -MOL_01_016938,Cc1ccc(cc1)-n2nnc(n2)-c3ccc(cc3)/C=N/C(C(O)O)Cc4ccccc4 -MOL_01_016939,COc1ccc(cc1)C(NC(C)=N)CC(=N)NC(C)c2ccc(cc2)-c3ccccc3 -MOL_01_016940,Clc1cc(cc(Cl)c1)C(N)Nc2cccc(c2)CN3CCCC3C(N)N -MOL_01_016941,CCC(CC)C(C=1)=NC(C12)=CC(=C2)C(=O)C3CCCC(=O)C3 -MOL_01_016942,c1ccccc1CC(C(=N)O)NC(=N)CC23CC4CC(C2)CC(C4)C3 -MOL_01_016943,CC(=O)CCc1ccc(c(c1)CN)CCC(C)CCC(C)(C)C -MOL_01_016944,CCCC(=O)c1cc(CN)c(N)nc1C -MOL_01_016945,C=C(O)c1cn(cn1)-c2ccc(cc2)C(O)CCCCC -MOL_01_016946,O1CCCOc(c12)ccc(c2)CN(CC(C)C)C(N)C3CCN(C3)Cc4ccccc4 -MOL_01_016947,C1CC1C(C)NC2CCCN(C2)c3cccc(c3)CN -MOL_01_016948,C1CCCN1C(=N)CN2CCCC(C2=N)NCc(c3)ccc(c34)ccc(Cl)c4 -MOL_01_016949,Nc1ccccc1C2CCC(CC2)CC(N)c3ccccc3 -MOL_01_016950,Nc1ccc(cc1)C2CC2C(=O)c(c3)ccc(c34)CCCC4 -MOL_01_016951,NCc1cc(ncn1)NC2CCN(CC2)C3CCCCC3 -MOL_01_016952,Cc1cc(C)c(c(N)c1)C(N)CCCCc2ccccc2 -MOL_01_016953,Clc1cc(ccc1)NC(=O)Nc2nccnc2CNc3ccccc3Cl -MOL_01_016954,Nc1ccccc1CCC(=O)Cc(c2)ccc(c23)CCCC3 -MOL_01_016955,C=C(C)c1ccc(cc1)C(O)c2ccc(C(C)O)cc2 -MOL_01_016956,C=C(O)c(c1)cc2C(=O)C(CCC(C)C)C(=O)c(c2c13)ccc3 -MOL_01_016957,C1COCCN1Cc2ccc(C)c(c2)C(=O)OCC(=O)N3CCCC3=O -MOL_01_016958,c1ccccc1CCN(CC(C)C)Cc2ccc(cc2)NC3CCN(CN)CC3C -MOL_01_016959,CCc1cc(C(=O)C)c(C)cc1CCc2cccc(n2)C(=O)CCC(=O)C -MOL_01_016960,Cc1ccc(cc1)NC(N)c2ccc(nc2)OCC(N)OCc3ccccc3 -MOL_01_016961,Cc1nccc(c12)ccc(c2)CCc3cccc(c3)C(N)(N)N -MOL_01_016962,CCN(C)C(N)Cc1cc(C(C)N(C)C)cc(c12)cc(N)c3c2cccc3 -MOL_01_016963,CC(C)CC(N)Oc1ccc(cc1)CC(N)CC2CCN(CC2)Cc3ccccc3 -MOL_01_016964,NOc1ccc(cc1F)-c(c2N)ccc(c23)cc(O)cc3 -MOL_01_016965,Nn1cccc1C(=O)C(=O)Nc2ccccc2 -MOL_01_016966,NOc1ccc(c(c1)ON)CCCc2cccc(O)c2 -MOL_01_016967,NCc(c1)ccc(c12)Cc3c(CC2)c(ncn3)Cc4ccccc4 -MOL_01_016968,NOc1cccc(c1)-n2nnnc2CCC(=O)NCCc3ccccc3 -MOL_01_016969,NCc1ccc(cc1CN)C(C(C)C)(CN)CCC2CCCCN2C -MOL_01_016970,c1cccc(c12)nc(nc2C)CCC(O)N(C)C3CCCC3 -MOL_01_016971,Cc1cc(C)cc(c1)C(=O)CCC(=O)CCC(=O)C2CCCC2 -MOL_01_016972,CCN(CC)CCNc1ccc(CO)c(c12)cc3c(c2O)ccc(Cl)c3 -MOL_01_016973,NCc1cncc(c1)N2CC(C23)CCCC3 -MOL_01_016974,CCOC(N)c(c(N)c1)cc(c12)ccc(c2)OCc3ccc(Cl)c(Cl)c3 -MOL_01_016975,CC(=O)CCCCCC(C=1)=NC(C12)=NC(C)=NC2=O -MOL_01_016976,CC(=O)c1nccnc1C(=O)C(CCCN)Cc2ccccc2 -MOL_01_016977,Cc1cccc(c1)CNC(N)c2ccccc2NC(N)C3=NCCCO3 -MOL_01_016978,C=C(N)C12CC3CC(C1)C(C(C3)C2)NC(=C)C(C)(C)N(C)Cc4ccc(F)c(F)c4 -MOL_01_016979,Cc1cc(C)nc(n1)CCC(=O)NC(=O)c2ccccc2C -MOL_01_016980,NCc1c(N)cc(N)nc1Nc2ccccc2N -MOL_01_016981,CCc1c(N)c(N)c(C(C)N)c(c1N)Cc2cccc(C)c2 -MOL_01_016982,CC(C)(C)CC(=O)N1CCC(CC1)CCC2CC=C(CC2)c3ccncc3CN -MOL_01_016983,NCc1cccc(c1)Cc2nc(Cl)nc(c23)cccc3 -MOL_01_016984,CC(=N)Nc1cnc(c(Cl)c1)CC(C)c2ccccc2 -MOL_01_016985,C=C(C)CC(N)C(=C)NC(C(=C)CN)Cc1ccc(C)cc1 -MOL_01_016986,Nc1cccnc1CCNC(=N)CC2C(=N)NCCN2CC3CCCCC3 -MOL_01_016987,Cc1c(N)cccc1CN(C2CCNC2)C3CNONC3 -MOL_01_016988,CC(N)C1CCC(CC1)CC(N)C2c(cccc3)c3CCc(c24)cccc4 -MOL_01_016989,CCc1ccc(cc1)NC(N)N(C2)CC23CCN(CC3)C(N)c4ccncc4 -MOL_01_016990,c1cccc(c12)cccc2CC(=N)Cc3cn(cn3)C4CCC4 -MOL_01_016991,C1CCCCC1CC(=C)C2CN(CN)CN=C2c3ccccc3 -MOL_01_016992,Fc1ccc(cc1)C(N)Cc2c(C(N)(C(F)(F)F)C(F)(F)F)ccc(c23)cccc3 -MOL_01_016993,C1CCCCC12C(=C(C)C(=O)C2)C(=O)NCc3cccc(F)c3 -MOL_01_016994,C1CCCC1CN(CC)C(=O)Nc2ccc(nc2)-n3ccnc3 -MOL_01_016995,CC1OCN(CO1)COCCc2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_016996,NC1(N)CCc(c12)c(cc(c2)C)CC3=NCCN3 -MOL_01_016997,CC(C)c1cc(N)nc(n1)C2CC(C2)n3cccn3 -MOL_01_016998,CCCN(CC)CCNc1ccc(C)c(c12)cc3c(c2N)cccc3 -MOL_01_016999,CCc1cccc(C)c1NC(O)c2ccc(N)cc2 -MOL_01_017000,NC(N)(N)c1cnc(c(Cl)c1)CC(=O)CCc2cccnc2 -MOL_01_017001,CC(=O)N(C)c1ccc(cc1)Cc2ccnc(n2)NCc3c(C)cccc3C -MOL_01_017002,Oc1ncccc1C(C(F)(F)F)(CCC2CC2)CCc3ccncc3 -MOL_01_017003,NCc(c1)ccc(c12)CC(C)C(=C2)C(N)CC3CCCCC3 -MOL_01_017004,C1CCCC1(CC(=O)C)CC(=O)Nc2ccc(nc2)Cc3cccc(C(F)(F)F)c3 -MOL_01_017005,c1cnccc1CCC(C)(C)NC(N)c2cnc(C3CC3)c(n2)CCC4CC4 -MOL_01_017006,Nc1nccn1-c2ccc(cc2)C(N)NCCc3ccccn3 -MOL_01_017007,Fc1cccnc1NC(N)c2cc(Cl)cc(c2)Cc3cncnc3 -MOL_01_017008,CC(C)c1ccc(cc1)NC(N)CC(Cn2ccnc2)c3ccc(F)cc3 -MOL_01_017009,C1N=NCC(=C12)C(C)N(C2N)CC3CCN(CC3)CCc4ccccc4 -MOL_01_017010,CCc1ccc(cc1CC)C2C(CN)=C(C)CC(C)=C2CN -MOL_01_017011,c1cccc(c12)c3c(cn2)c4c(cc3)ONO4 -MOL_01_017012,Cc1cc(N)cc(c12)cc(cc2)Cc3ccc(cn3)CC(N)c4ccccc4 -MOL_01_017013,CCCC(C)CCCCC(=O)Cc1cccc(N)c1 -MOL_01_017014,CCCC(O)c1ccn(c1)-c2ccc(c(c2)CN)CCC(C)C -MOL_01_017015,C=CC(O)c1cnc(nc1)NC2(C(C)C)CCN(CC2)C(O)CCc3ccccc3 -MOL_01_017016,CN(C)c1nccc(n1)-c2cnc(N(C)C)nc2O -MOL_01_017017,Cc1ccc(cc1)C(=N)NC(c2ccccc2)C(=N)Nc3ccccc3 -MOL_01_017018,Nc1ccccc1C(=O)CCCC(=O)C2CCCC2 -MOL_01_017019,C=C1C=Cc(c12)nnc(n2)C(O)CCC -MOL_01_017020,CC(=O)Cc1cccc(c1)CC(=O)Cc2ncccc2OCc3ccccc3 -MOL_01_017021,c1ccncc1C(=N)N2CCN(CC2)C(=N)C(c3ccccc3)c4ccccc4 -MOL_01_017022,Nc1ccc(cc1N)C(CC2CCC2)Cc3ccccc3 -MOL_01_017023,Cc1cccc(c1)N2N=NNc(c23)cc(C)c(c3)ON -MOL_01_017024,NCc1ccc(cc1)N(C(=N)CC2)C23CCCCC3 -MOL_01_017025,c1ncccc1CN(C2)CNOC(C23)CN(CC3)Cc4ccoc4 -MOL_01_017026,Cc1c(N)ncnc1CCc2ccccc2 -MOL_01_017027,Cc1cccc(c1)C(=N)NCCCN2CCN(CC2)c3ccccc3 -MOL_01_017028,NCCc1ccc(cc1)C(=C)Nc2ccccc2N3CCCC3 -MOL_01_017029,Nc1cccc(c1)CCC(N)C2CCCC2 -MOL_01_017030,CCCC(N)N(CC1)CC1(C(N)N)Cc2ccccc2-c3ccccc3 -MOL_01_017031,Cc1ccc(nc1)C(=N)N(CC2)CCC23CCC(=N)N(C3)CCN(C)C -MOL_01_017032,NCc1cc(N)c(Cl)cc1C(=O)CCC(C2)CC(C23)CCCC3 -MOL_01_017033,Cc1ccc(cc1C(C)(C)C)C(O)C2CCC(C(C)O)CC2 -MOL_01_017034,Nc1ccc(N)n1-c2ccc(cc2)C(=O)Nc3ccccc3 -MOL_01_017035,N=c1cc(Cl)c(CN)nn1-c2ccc(CN)cc2 -MOL_01_017036,C1CCC1(C)CCNC(N)c2ccc(cn2)CCc3cccc(F)c3 -MOL_01_017037,C=C(O)c1cc(C(N)(N)N)c(Cl)cc1C2CCC(CC2)CCO -MOL_01_017038,CCC(=O)c1cc(cc(c1)C(=O)CC)CC(=O)c2cn(CC)cc2Cl -MOL_01_017039,CCC(=O)c1cccc(Cl)c1CC(=O)c2ccccc2N -MOL_01_017040,c1ccncc1Cc2ccc(CN)c(c2)NCc3ccccc3 -MOL_01_017041,CCN(C)Cc1ccc(cc1)CC(C2=N)Cc(c23)cc(OC)c(c3)OC -MOL_01_017042,CCCc1cc(C)ccc1NC(O)N(C)Cc2cnn(C)c2 -MOL_01_017043,CC(C)c1cccc(c12)C(C(C2)=N)(c3ccc(O)cc3)c4ccc(O)cc4 -MOL_01_017044,Nc1ccccc1CC(c2ccccc2)C3CNCOC3 -MOL_01_017045,Cc(c1)ccc(c12)c(N)c(cc2)-c3ccc(CN)cc3 -MOL_01_017046,Nc1ccc(cc1C)C(=N)NC2(C(=N)NCCN)CCCCC2 -MOL_01_017047,Nc1ccc(c(N)c1)CCCC2CCCCC2 -MOL_01_017048,O=c1ccc(nn1C)Cc2cc(C)nc(n2)CCc3ccccc3 -MOL_01_017049,C=C(C)N(CO1)COc(c12)ccc(c2)C(=C)OOCN3CCCCC3 -MOL_01_017050,c1ccccc1C(C)N2CC(=NC2N)N3CCCCC3 -MOL_01_017051,NCc1ccccc1CC(=O)N(CC2)CC(CN)C23CCCC3 -MOL_01_017052,CC(C)Cc1ncccc1CNC(O)Nc2ccccn2 -MOL_01_017053,Cc1ccc(c(C)c1)C(=O)CCC(=O)C2CCCC2=O -MOL_01_017054,Cn1ccc(c1N)C(=O)N2CCCCC2 -MOL_01_017055,NCOC(=O)C(CN)Cc1ccc(cc1)C(=O)NCc2ccccc2N -MOL_01_017056,c1ccncc1CC(=C)NCCCCCCn2nnc(n2)-c3ccccc3 -MOL_01_017057,CCc1nnc(NC(CN)CN)n1-c2ccc(Cl)cc2 -MOL_01_017058,CC(=N)C(C)c1cc(N)cc(c1)-c2ccc(N)cc2 -MOL_01_017059,C1CCCN1C(C)c2ccc(CN)c(c2)CC(O)N(C)C -MOL_01_017060,NCC(=O)CCC1=C(CN)C(CC(=O)C1)c2cccc(F)c2 -MOL_01_017061,CCc1cncc(n1)C2CCCC2Cc3ccnc(n3)C -MOL_01_017062,c1ccccc1CN(C(C)(C)C)C(=N)COC(=N)c2ccc(cc2)N3CCCC3=N -MOL_01_017063,C1CCCC1C(=N)c2ccn(c2)Cn3cc(N)c(Cl)c3N -MOL_01_017064,CC(=O)c1ccc(cc1)-c2ccc(N)cc2N -MOL_01_017065,C1CCCCN1c2cc(N)cc(c2)-c3cccc(c3)-c4cccc(c4)C(N)O -MOL_01_017066,C1CCCCN1CCN(C(=N)Nc(cc2Cl)ccc2)Cc3ccccc3F -MOL_01_017067,C1CC1C(C2=N)C(=N)C3C(c(c4C5C23)cccc4)c6c5cccc6 -MOL_01_017068,CCCCC(CCCC)C(N)Cc1ccc(N)c(N)c1 -MOL_01_017069,c1ccncc1CN(C(N)CC2CC2)CC3CCN(CC3)C4CCCC4 -MOL_01_017070,CCC(=O)C1=CC(CC)C=C(C(=O)CC)C1c2nnnc(n2)C -MOL_01_017071,CNc1ncccc1C(=N)N(CCC2)CCC23CCN(C)CC3 -MOL_01_017072,Cn1ccc(c1)C(CC(=O)C2)C23CCC(CC3)c4ncc(F)cn4 -MOL_01_017073,CCc1ncccc1NC(O)N2CCC(CC2)CNC(C)O -MOL_01_017074,NCc1cc(ccc1)NC(=C)NCCCN2CCC(CC2)Cc3ccccc3C -MOL_01_017075,c1cc(O)ccc1-c2c(-c(cc3)ccc3O)c(N)cc(c24)cccc4 -MOL_01_017076,FC(F)(F)C(F)(F)CCN1C(O)C(C)=C(C1)C(O)NC2CCC(CC2)c3ccccc3 -MOL_01_017077,NCc1ccc(cc1CN)NCc2ccc(cc2)N3CCNC3=O -MOL_01_017078,Cc1nccn1-c2cc(ccn2)CCC(O)C3CCC(O)CC3 -MOL_01_017079,NCC(=O)C(F)(F)C(NC(=O)C)Cc1ccccc1 -MOL_01_017080,Cc1ccc(c(n1)N)Cn2ccc(c2C)CCCN -MOL_01_017081,CCc1ccccc1C(N)CCC(N)n2nc(C)cc2C -MOL_01_017082,Cc1ccccc1C(CN)C(=C)Nc2ccccc2N3CCCC3 -MOL_01_017083,CCc1ccc(cc1CC)C2CC(O)CC(O)C2 -MOL_01_017084,CN1CCC(CC1)C(=N)c2cncc(c2)CC(=N)c3ccc(F)cc3 -MOL_01_017085,OC1C(O)N=Nc(c12)c3c(cc2)c4c(cc3C)cccc4 -MOL_01_017086,NOc1cc(cc(c1)ON)CN(CC2)CC23CC(C3)Cc4ccncn4 -MOL_01_017087,C1CC1N(C)C(=O)NC(C)c2cc(C)c(cc2)Cc3cccnc3 -MOL_01_017088,NC(N)CCc1cc(cn1C)C(O)c2ccccc2 -MOL_01_017089,CC(N)c(c1)ccc(c12)cc(c(c2N)CN)-c3ccc(F)cc3 -MOL_01_017090,CC(C)(C)C(=N)CCC1C(=N)C(c2ccccc2)=C(C1=N)c3ccccc3 -MOL_01_017091,NCc1ccc(cc1)-c2ccc(cc2)-c3cc(N)cc(c34)cc(CN)c(CN)c4CN -MOL_01_017092,NCc1cc(ccc1)CC(C)NC(=O)NCCc2cccnc2 -MOL_01_017093,Clc1cc(Cl)c(nc1N)CC(=O)CCC(=O)CCCc2ccccc2Cl -MOL_01_017094,CCCCC1CNC(N)N1CCc2cccc(C)c2 -MOL_01_017095,NCC(CN)Cc1ccc(cc1)C(=C)CCN(C2=C)C=Nc(c23)cccc3 -MOL_01_017096,Nc1ccc(cc1C)C(=N)c(n2)ccc(c23)cccc3 -MOL_01_017097,CCCc1ccccc1C(C)C(N)c2ccc(N)cn2 -MOL_01_017098,CCc1cccc(C(N)O)c1NC(O)c2ccc(N)cc2 -MOL_01_017099,Oc1ncc(C(F)(F)F)cc1CC(O)CCCCc2ccccn2 -MOL_01_017100,C1CCc(n12)nnc2NC(=O)CCC3CCCCCC3 -MOL_01_017101,CCN1CCC(CC1)CC(=O)Cc2cc(Cl)ccc2CN -MOL_01_017102,Cc1nc(ccc1)NC(=C)c2cc(ccn2)Cc3cccnc3 -MOL_01_017103,C=C(C1)CCn(c12)cnc2CN -MOL_01_017104,Cn1cc(N)c(c1C(C)C)CCCCCCCCN -MOL_01_017105,OC1CCCCC1CCc2ccnc(n2)-c3ccc(C(F)(F)F)cc3 -MOL_01_017106,C1CCCCC1C(C)C(O)Cn2c(O)cc(c23)cccc3 -MOL_01_017107,CCCCCCC(CC1O)Cc(c12)cc(CNCN)cc2CNCN -MOL_01_017108,CCCCC(=O)C1C=C=C(C1)c2cccc(N)c2 -MOL_01_017109,COc1ccc(cc1)CCn2cnc(c2)C(=N)c3ccc(C)c(C)c3 -MOL_01_017110,CCc1cccc(N)c1C2CC(=O)CC2=O -MOL_01_017111,CCc1ccccc1CCC(N)NCC2CCCN(C2)Cc3ccn(c3)C(C)C -MOL_01_017112,CC(C)C1CC(=CC1N)Cc2ccc(N)cc2N -MOL_01_017113,CCNC(N)c1cc(on1)-c2cccc(c2)NCc3ccccc3 -MOL_01_017114,CCCc1ncccc1C(N)CCc2ccccc2N -MOL_01_017115,CCc1c(C)nc(c(CN)c1C)CCCN -MOL_01_017116,NCc(c1)c(CN)cc(c12)ncc(n2)NC3CCCC3 -MOL_01_017117,Oc1ncc(cc1)C(O)C(C(CC)CC)Cc2ccccn2 -MOL_01_017118,c1ccccc1CCN(C)C2CCN(CC2)C(=N)c(c3)ccc(c34)CC(=N)CC4 -MOL_01_017119,NCc1ccc(c(N)c1)CCCCCCC2CCCC2 -MOL_01_017120,c1cccnc1C(=O)CCCCC(=O)c2cc(Cl)ccc2Cl -MOL_01_017121,CCOC(=O)C1=C(CCC1=O)Nc2ccc(C)cc2 -MOL_01_017122,CN(C)CNc1ccccc1-c2ccc(c(F)c2)-c3cnc(N)nc3 -MOL_01_017123,C=C(C)c(c1)cc2C(=O)C(C(=O)c(c2c13)cc(c3)C(=C)C)CCC4CNNNC4 -MOL_01_017124,Nc1cc(ccc1)CC(=N)Nc2ccccc2N3CCCC3 -MOL_01_017125,CC(=O)c1ccc(cc1)-c2cc(N)c(C)c(N)c2 -MOL_01_017126,c1nccnc1C(=O)Cc2cncc(n2)Cc3cncc(F)c3 -MOL_01_017127,CC1CC(C)=Cc(c12)ccc(N)c2N -MOL_01_017128,CC(C)CCNCc1cc(C)c(cc1)Cc2ccc(cn2)C(=O)N -MOL_01_017129,CCCCCc1ccccc1-c2nnnc(n2)C=O -MOL_01_017130,Cc1ccc(c(C)c1)NC(N)C2CCN(CC2)C(N)NC3CCCCC3 -MOL_01_017131,C=CC(=C)C(CC(N)N)CC(=C)CCc1cn(cn1)Cc2cccc(c2)C(=C)C -MOL_01_017132,Cc1ccc(cc1Cl)CC(N)CCc2ccc(cc2)-n3ccnc3 -MOL_01_017133,Cc1ccc(cc1N)CC(N)CC2CCC(C(C)N)CC2 -MOL_01_017134,N=C(O)c1ccccc1-c2ccccc2C(=N)CCc3ccccc3F -MOL_01_017135,CC(C)CC(=O)CCCCc1ccc(N)cc1N -MOL_01_017136,C12CC3CC(C2)CC(C1)C3NC(=N)C4CCCN4Cc5ccc(CN)cc5 -MOL_01_017137,O1C(=N)C(C)=C(C12)CC(OC(C)=N)/C(C)=C\CC/C(C(=N)ON)=C\CC/C(C)=C/2 -MOL_01_017138,CCCC1C(=O)CCC1C(=O)CCc2ccc(N)cc2N -MOL_01_017139,c1cccc(c12)CN(C2)C(N)Nc3ccc(cc3)C(N)N(CC4(F)F)CC4 -MOL_01_017140,C1CCCCN1C(O)C(C)Cc2cc(O)cc(c23)cccc3 -MOL_01_017141,c1cccnc1CC2=NC(=N)C(C2)Cc3ccccc3 -MOL_01_017142,C1CC1C(C)NC(=N)c2ccc(cc2)NC(=N)N(C3)Cc(c34)ccc(F)c4 -MOL_01_017143,CC(O)CCc1nc(ccc1C(=C)O)CCc2ccc(Cl)cc2 -MOL_01_017144,COc1ccc(cc1OC)CNCCN(C2N)C(N)c3cccc(c3c24)ccc4 -MOL_01_017145,c1cccc(c12)C(=NC(C(C2)=N)CC(C)=N)c3ccccc3 -MOL_01_017146,Cc1ccccc1CCCC(N)Cc2ccc(N)cc2N -MOL_01_017147,NCc(c1)ccc(c12)c(ncn2)Cc3ccccc3 -MOL_01_017148,C=C(O)c1ccc(cc1)CCc(c(n2)C)nc(c23)cccc3 -MOL_01_017149,C=C(N)c1ccc(cc1)NC(=C)CCC(=C)N2CCN(CC2)Cc3ccc(Cl)cc3 -MOL_01_017150,CCC(=O)c1ccc(cc1)CNC(=O)CCC(=O)N2CCCCC2 -MOL_01_017151,C=C(N)CC(CN)NC(=C)C(C)N(CC)Cc1ccc(cc1)-c2ccc(F)c(F)c2 -MOL_01_017152,NCc1ccc(c(N)c1)-c2cccc(c23)cccc3 -MOL_01_017153,CCc1nnnnc1C(C2=O)C(=O)c(c23)nnnn3 -MOL_01_017154,CC(=O)Nc1ccc(cc1)C(=O)CCC(=O)NC2CCCCCCC2 -MOL_01_017155,CCCCCc1nnc(N)c(c12)cc3c(c2)cccc3 -MOL_01_017156,Cc1ccc(cc1)CC(C2)C(=O)OC2(CO)COC(=O)C(C)(C)C -MOL_01_017157,C=1N=NC(C12)=NC(=CC2=O)NC3CCCCC3 -MOL_01_017158,C12CC3CC(C2O)CC(C1)C3(CC(N)C4CC(O)C4)c5ccc(Cl)cc5 -MOL_01_017159,Fc1ccccc1CCNC(=N)C2CCC(=N)N(C2)Cc3ccc(Cl)cc3 -MOL_01_017160,CC(O)C(N)NC1CCC(CC1)CCN2CCC(CC2)c3cccc(c34)CCC4 -MOL_01_017161,Cc1ccnc(c1)CC(=O)CCC(=O)N(CC(=O)CC(C)(C)C)C2CCCC2 -MOL_01_017162,NCC(C(C)(C)C1)C(C)c(c12)c3c(cc2)ccc(c3)O -MOL_01_017163,C1CCCCN1Cc2cc(O)c(cc2)CCC(O)Nc3ccc(F)cc3 -MOL_01_017164,Cn1ccnc1CNCCCc(c2)ccc(c23)CC(N)C3Cc4ccccc4 -MOL_01_017165,CCN(CC)C(C)CC(N)Nc1c(C)cccc1C -MOL_01_017166,N=C1CCCC1Cc2ccc(C(C)C(=N)O)c(c2)-c3ccc(F)cc3 -MOL_01_017167,C1CCCC1C(C(=O)N=C)NCc2ccc(F)c(C)c2 -MOL_01_017168,Cc1nn(C)c(Cl)c1CCCCN(CC23)CC(C2)CN(C3)CCCCc4ccc(CN)cc4 -MOL_01_017169,CCCCN1CCCC1C(N)Nc2c(C)cc(C)cc2C -MOL_01_017170,CC1CN(N(O)C1=O)C(=O)CCCCc2ccccc2C(F)(F)F -MOL_01_017171,C=C(O)c1cccc(c1)C(=O)CC2CC(=O)c(c23)cccc3 -MOL_01_017172,c1ccccc1CNC(=O)c2nc(ncc2Cl)CCc3ccc(F)cc3 -MOL_01_017173,CC(=O)Nc1ccc(cc1)NC(=O)CCc2cccc(c23)CC(C3)(C)C -MOL_01_017174,C1CCCCC1CC(=O)CC(=O)CCC(=O)c2cccc(c2)CC(F)F -MOL_01_017175,C=C1C(=C)N(C(N)(N)N)CC1C(=C)c2ccccc2 -MOL_01_017176,CC(C)(C)CNC(=O)NCn1cnc(c1)-c2ccccc2 -MOL_01_017177,COc1ccc(cc1)CCC(=O)NC(C)Nc2ccc(C(=O)O)cc2 -MOL_01_017178,CC(C)(C)CC(=O)NC(C(=O)CCC)CCCC(=O)c1ccc(Cl)cc1 -MOL_01_017179,c1cccc(c2=N)c1n(c(c23)ccc(Cl)c3)CCCCN4CCOCC4 -MOL_01_017180,Clc1ccc(cc1)CC(C(=N)CN)(C(=N)CN)c2ccc(cc2)Cc3ccc(Cl)cc3 -MOL_01_017181,CC(=O)c1cn(C)cc1-c2ccc(N)cc2 -MOL_01_017182,FCC(NC1)Cc(c12)ccc(c2)C(=N)NC(C3)CCc(c34)cccc4 -MOL_01_017183,COc1ccccc1CNC(N)c2cccc(c23)CN(C3N)Cc4cccnc4 -MOL_01_017184,CC1(C)CC(CC(N1)(C)C)NC(N)C(CC)c2ccccc2 -MOL_01_017185,c1cccc(c12)cccc2NC(=N)N3CCC(=NC3)c4ccccc4 -MOL_01_017186,c1ccccc1C(N)(C(=O)N=C)CCc2ccc(cc2)Cc3ccccc3 -MOL_01_017187,CCC(=O)Cc(n1)nc(C)c(c12)CCCC2 -MOL_01_017188,c1ccccc1NCC(N)CCN2CCC(=NC2)c3ccccc3 -MOL_01_017189,c1ccccc1Cc2cc(N)nc(n2)CCc(c3)ccc(c34)CCC4 -MOL_01_017190,Cc1ccc(cc1C)CCC(N)CCCCCC(N)c2ccccn2 -MOL_01_017191,Cc1ccc(cc1)C(CC2N)Cc(c23)cc(N)cc3 -MOL_01_017192,CC(=O)CC1CC(=O)N1C(=O)NCc2ccccc2 -MOL_01_017193,C1CCCCC1c2ccc(cc2C(=C)O)C(=O)Cc3cccc(c3)CN -MOL_01_017194,CC1(C)C(C)C(=N)C(C1)c2ccc(nn2)CCc3ccc(F)cc3 -MOL_01_017195,NCCCCC(=O)C1CCC(CC1)c2cc(N)ccc2N -MOL_01_017196,NOc1ccc(cc1C)NC(=O)C2CCN(CN)CC2 -MOL_01_017197,CCCC(=O)c1cccn1Cc2ccc(Cl)cc2N -MOL_01_017198,Cc1cccc(c1C)NC(=N)CN(C)CC(=N)NC(c2ccccc2)c3ccccc3 -MOL_01_017199,Cc1ccc(C(=O)CN)cc1N(C)Cc2ccc(CN)cc2 -MOL_01_017200,Nc(c1)c(N)cc(c12)CCN=C(C)C2c3ccccc3C -MOL_01_017201,Cc1ccc(C)c(c1)-n(c2N)cc(c23)ccc(c3)N -MOL_01_017202,CN(C)Oc1ccc(cc1)CNC(=O)CC(N)(C2)OOC23CCCCC3 -MOL_01_017203,C=C(C)c1ccc(C)c(c1)C(C2)C(=C)C2(N)N -MOL_01_017204,Nc1ccc(cc1N)CC(O)CCc2ccc(cc2)-n3ccnc3 -MOL_01_017205,C1CCCCN1C2CC(=N)N(C2=N)c3ccccc3 -MOL_01_017206,CC(=O)Nc1ccc(cc1)CCC(O)CN2CCN(CC2)Cc3ccccc3 -MOL_01_017207,NCc1ccc(cc1CN)-c2ccccc2NCCn3ccnc3 -MOL_01_017208,CC(=O)Nc1ccc(cc1)CCc2ccc(cc2CN)Cc3cnc(C)nc3C -MOL_01_017209,O=C(N=1)C(=O)N=c(c12)cc(C)c(c2)CNc3ccc(Cl)cc3C -MOL_01_017210,Nc1c(N)oc(c12)cc3c(c2)c(N)cc(o3)=O -MOL_01_017211,c1ccccc1NC(=O)Cc2cccc(c2)CC3CNNNNC3 -MOL_01_017212,CC(=O)Nc1ccc(cc1)CNCCC(=O)CCc2ccccc2C -MOL_01_017213,CN(C)CCCCC(CC1(C)C)=Nc(c12)cc(N)cc2 -MOL_01_017214,NC(N)(N)c1ccc(Cl)c(c1)CC(=O)CC2CCCCC2 -MOL_01_017215,CN1CCC(CC1)N2CCC(CC2)NC(N)c3ccc(cc3)COc4ccc(C(C)(C)C)cc4 -MOL_01_017216,N1NC1CC(=C)CCC(=C)c(c2C(=C)C)ccc(c23)c(=C)c4c(c3=C)cccc4 -MOL_01_017217,Nc1ccc(N)c(c1)CCCCCC2CCCCC2 -MOL_01_017218,Cc1ccccc1CC(=O)C(C)CC(=O)CCC(=O)c2ccccc2 -MOL_01_017219,NCc1cc(ccc1)CC(=N)c2cc(ccc2O)-c3ccc(F)cc3F -MOL_01_017220,Cn1nc(N)c(c1ON)CCCc2cccc(c2)CC3CCOCC3 -MOL_01_017221,Cc1cnc(c(C)c1)Oc2ccc(cc2)OC(C)C(=O)NCC(=O)N -MOL_01_017222,Nc1ccccc1C(N)C2CCCCC2 -MOL_01_017223,C1CCCC1(CCC)CC(N)C(N(C)C)c2ccc(N)cc2 -MOL_01_017224,Cc1ccc(F)cc1NC(O)CCC(O)C2CCCC2 -MOL_01_017225,CC(C)NCc1cccc(c1)-c2cccc(c2)NC(=N)c3cccc(c3)CN -MOL_01_017226,CCc1cc(ccc1Cl)C(=O)CCNc2ccccn2 -MOL_01_017227,Clc1ccccc1CC(O)CC2=CC(=NC2O)C3CCCCC3 -MOL_01_017228,C=C(O)c1ccc(cc1C)C(O)CCC(O)C2CCCCC2 -MOL_01_017229,Cn1nc(N)c(c1N)CC2CCC(CC2)C(=O)c3ccc(Cl)cc3 -MOL_01_017230,Cc1ccc(cc1)CC(=N)CCn2cc(C(N)(N)N)ccc2=N -MOL_01_017231,c1cnccc1CC(=O)c2ccn(n2)CCc3ccc(F)c(Cl)c3 -MOL_01_017232,O1COc(c12)c(ON)cc(C)c2ON -MOL_01_017233,CC1(C)CCC(=N)N1CCCCN2CCN(CC2)c3ccccc3ON -MOL_01_017234,n1cccnc1Cc2nc(N)c(nc2N)Cc3cccc(c3)C(N)c4ccccc4 -MOL_01_017235,c1cccc(c12)CCC(C2)CN(CCC)C(=O)CCN3C(=O)CCC3=O -MOL_01_017236,CCc(c1)ccc(c12)cc(cc2)C(=N)C(C3)CN=C(N34)N=C(C)N=C4 -MOL_01_017237,COc1ccc(cc1)C(CC(=N)O)NC(=N)C(c2ccccc2)c3ccccc3 -MOL_01_017238,C=C(O)c1cccc(c1)C(=O)C2CCCC(C2)C(=O)C3CCCCC3 -MOL_01_017239,CCC(=O)c1ccc(cc1)-c2cc(N)c(C)c(C=O)c2 -MOL_01_017240,c1ccccc1-c2nc(C)c(CN)c(n2)CCc3cccnc3 -MOL_01_017241,Cc(c1)ccc(c12)cc(cc2)CCCC(=O)N3CCC(N)CC3 -MOL_01_017242,C1CCCCC1(CCC)CCC(=O)Cc2ccc(N)cc2N -MOL_01_017243,COc1cccc(c1)-n2nnnc2CCC(=O)NCCc3ccccc3 -MOL_01_017244,NCc1cc(ccc1F)NC(=C)c2cccc(c2)CNC3CCCC3 -MOL_01_017245,NCc1ccc(cc1)C2CCC(CC2)CCCC(N)c3cccc(c3)ON -MOL_01_017246,Cc1cccc(c1)CC(N)CC2CCC(CC2)c3ccc(N)cc3 -MOL_01_017247,Nc1ccc(cc1N)CC(c2ccccc2)C3CCCCC3 -MOL_01_017248,C=C(O)c1ccc(nc1)Cc2ccc(cc2)Cc3ccc(C(F)(F)F)cn3 -MOL_01_017249,NCc1ccc(cc1Cl)CC(O)c2ncn(n2)-c3ccccc3 -MOL_01_017250,Nc1ccccc1NC(=C)c2ccc(cc2)C3CCN(C)CC3 -MOL_01_017251,CCc1nc(ncc1Cl)Cc2ccc(C(Cl)CC(N)N)cc2CN -MOL_01_017252,Cc(n1)nc(C)c(c12)N(C)CN2 -MOL_01_017253,C=CC(=O)C(CC(C)C)NC(=O)NCc1cn(cn1)Cc2ccccc2N -MOL_01_017254,Nc1ccc(cc1)-c2ccc(cc2)CCc3ccccc3N -MOL_01_017255,Cc1ccccc1CC(C2N)CCc(c23)cc(CN)cc3CN -MOL_01_017256,CC(=O)c1cccc(c1)CC(=O)C(C)CC(=O)C2CCC2 -MOL_01_017257,NOc1ccc(cc1)CC(N)c2nc(ncc2Cl)CCc3ccc(F)cc3 -MOL_01_017258,C=C1C(=C)C(=C)Cc(c12)cc(cc2)-c3ccc(C(N)(N)N)cc3 -MOL_01_017259,CCCc1ccccc1C(=O)NCC(=O)NCCc2ccc(CN)cc2 -MOL_01_017260,Cc1ccc(c(C)c1)C(=O)NC(=O)Nc2ccc(C(=O)O)cc2 -MOL_01_017261,Fc1cc(F)ccc1-c2cc(C)c(cc2)C(N)CCCCCN -MOL_01_017262,CC(C)C(=N)c1ccc(cc1)CNc2c(Cl)cccc2CN -MOL_01_017263,CCCCCC(=O)c1c(C)cc(CC)c(N)c1C -MOL_01_017264,C1CCCCN1C2(C(=C)N)CCN(CC2)Cc3ccc(CN)c(c3)CN -MOL_01_017265,CCCC(=O)c1ccc(cc1C(F)(F)F)Cc2nnnnn2 -MOL_01_017266,Cc(c1)cc(C)c(c12)CC(C(N)(N)N)C(=C2)C(C)N -MOL_01_017267,C1CNCCN1CCNC(O)Nc2nccnc2CCc3ccccc3Cl -MOL_01_017268,NC1=NC(=O)C(C1)Cc2cc(Cl)ccc2Cl -MOL_01_017269,C1CCCCC12C(CN)=C(C)NC(C)=C2C(N)Nc3ccccc3 -MOL_01_017270,c1ccccc1CN(Cc2ccccc2)CC(C)CCc3ccc(CN)cc3CN -MOL_01_017271,C1CCCN1Cc2ccc(cc2CN)Cc3ncccc3C(F)(F)F -MOL_01_017272,NCc1cc(ccc1)NC(=N)N(CCC2)CC23CCN(CC3)C(=N)Oc4ccccc4 -MOL_01_017273,c1ccccc1C(=C)Nc2cc(ncn2)Nc3ccc(cc3)CCO -MOL_01_017274,CCCCCc1ccc(cc1CN)NC(N)c2ccccn2 -MOL_01_017275,Nc(c1)ccc(c12)cccc2CC(N)Cc3ccccc3 -MOL_01_017276,Cc1ccc(cc1)-n2cc(cn2)C(O)c3cc(CN)c(CN)c(c3)CN -MOL_01_017277,Cc1ccc(Cl)cc1C(=O)CCC(=O)NCCC2=CCCCC2 -MOL_01_017278,CC(=O)Cc1cc(F)c(C(=O)C)cc1CC(=O)c(c2)ccc(c23)cccc3 -MOL_01_017279,C1CCCCN1CC(N)Nc(c2)ccc(c23)C(N)c4c(C3N)cc(cc4)NC(N)CN5CCCCC5 -MOL_01_017280,c1ccccc1-c2ccccc2C(N)OCC3CCN(CC3)C(N)CCc4ccccc4 -MOL_01_017281,c1cccc(c12)[nH][nH]n(N(N)N)n2-c3ccccc3 -MOL_01_017282,Cc1ccccc1NC2=CC(=N)C(C(C)C2)C(=N)CN -MOL_01_017283,CC(=O)Cc1ccc(c(c1)CC(=O)C)C2(C)CC(C)(C)Cc(c23)cc(cc3)CC(=O)C -MOL_01_017284,CCCCC(C)(C)NC(=O)c1cnc(C2CC2)c(n1)CCC3CC3 -MOL_01_017285,C1CC(N)Cc(c12)c(Cl)ccc2CN -MOL_01_017286,O1CCCOc(c12)ccc(c2)CN(CC(C)C)C(=N)C(C)NCc3ccccc3 -MOL_01_017287,CC(C)c1ccc(cc1)C(N)C(C)(C(=N)N)Cc2ccc(Cl)cc2 -MOL_01_017288,CCCc1ncccc1C(O)NCc2ccccc2F -MOL_01_017289,NCc1ccc(cc1)-c2c(cccc3)c3cc(c24)c(N)cc(c4)N5CCCCC5 -MOL_01_017290,N=1CC(C)=CC(C12)=C(CO)C(O)C(C)(C)C2C -MOL_01_017291,C=C(N)Nc1ccc(cc1)C(=C)CCC(=C)Nc2cccc(c2)CNC3=NCCC3 -MOL_01_017292,CN(C)c1nc(N)ccc1NC(=O)NCCc2ccncc2N -MOL_01_017293,CCN1CCN(CC1)CCCOc(c(c2)OC)cc(c23)c(cc(c3)N)-c4ccccc4 -MOL_01_017294,CCn1ccnc1CC(C)c2cc(ncn2)C3CC3 -MOL_01_017295,N=c1cc(C(N)(N)N)nc(n1C)CCc2ccc(Cl)cc2 -MOL_01_017296,Cc1ncccc1CC2(CCNCC2)C(=C)NCCCN3CCCCC3 -MOL_01_017297,CNC(O)c1ccccc1Nc2ncnc(n2)Nc3ccc(CN)cc3 -MOL_01_017298,Clc1ccc(cc1)C2(CCC(N)C(=N)O)c(cccc3)c3C=Cc(c24)cccc4 -MOL_01_017299,CCCC(=O)c1ccc(cc1)C(C2=O)C(=O)Cc(c23)cccc3 -MOL_01_017300,CCCCCCc1cn(cn1)-c2cc(N)ccc2N -MOL_01_017301,CCc1ccc(cc1)-c2ccc(cc2)C(=N)CC(C)(C)NN -MOL_01_017302,NCn1cnnc1CCC(=O)C(C2)CCc(c23)ccc(Cl)c3 -MOL_01_017303,Nc1ccc(N)c(c1)NONC(N)C(c2ccccc2)c3ccccc3 -MOL_01_017304,CCCCCc1cc(C(N)CC(C)C)nn1-c2ccccc2 -MOL_01_017305,NCc1ccc(cc1)CCNC(=N)CCCN(C2=N)C(=N)c3cccc(c3c24)ccc4 -MOL_01_017306,CC(N)c1ccc(cc1)-c2cc(N)c(N)cc2N -MOL_01_017307,CCCC(O)c1cn(cc1CC(C)C)-c2cccc(c2)CN -MOL_01_017308,c1cnccc1CNC(N)C2CCN(CC2)Cc3cccc(C(F)(F)F)c3 -MOL_01_017309,CCCC(=O)CC(=O)C(C)C(C(=O)C1)C(=O)C1(c2ccccc2)c3ccccc3 -MOL_01_017310,NC(=O)Cc1ccc(cc1C(=C)O)CC2CN=C(C)N=C2C -MOL_01_017311,CCc1cc(N)cc(c12)c(C)c(cc2)CCC(N)NCc3ccccn3 -MOL_01_017312,c1ccccc1C(c2ccccc2)N(C)CC(N)N3CCN(CC3)C(CN)c4cccnc4 -MOL_01_017313,CCCCCC(CC(=O)N=C)C(=O)NC(CC(C)C)C(=O)CN -MOL_01_017314,Cc1ncncc1C(N)N(CC2)CC2(C)CN(C)Cc3ccc(F)cc3 -MOL_01_017315,CC(=N)NC(C)Cc1ccc(cc1)CCc2ccnc(n2)N(C)Cc3ccncc3 -MOL_01_017316,c1nnc(n12)c(cc(n2)N)CCCc3ccc(O)cc3 -MOL_01_017317,COc1cc(cc(c1)OC)NC(N)COC(N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_017318,NC(N)(N)c1ccc(cc1)-c(c2)ccc(c23)cccc3 -MOL_01_017319,C=CC(=O)C1(C)C=C=C(N1)c2ccccc2N -MOL_01_017320,NCC(=O)c1cc(ccc1Cl)CC(=O)CC2C(=O)CCC2=O -MOL_01_017321,CCCC1CCC(CC1)C(O)c(nc2O)cc(c23)cccc3 -MOL_01_017322,CC1=C(C)C(=N)CC1(C)Cc2ccc(N)cc2N -MOL_01_017323,Clc1ccc(Cl)cc1CC(CN)CC(O)CCCCN2CCCCC2 -MOL_01_017324,c1ccccc1-c2c(C)nc(C)nc2CCCCCN -MOL_01_017325,CC1=CC(CC1)CC(CC)Cc2ccc(N)cc2N -MOL_01_017326,Cc1ccc(C)c(c1)NC(N)c2nc(C)c(C)nc2C(N)N(C)C -MOL_01_017327,CCC1CCCCN1CCCNC(=N)C2CCC(=N)N2Cc3ccc(C)cc3 -MOL_01_017328,CN(C)Cc1ccc(cc1)C(=O)Cn2ccc(cc2=O)CCc3ccc(Cl)cn3 -MOL_01_017329,CC(C)CCCC(C)(N)c1ccc(C(N)N)cc1N -MOL_01_017330,Cc1ccccc1CCC(=N)NCC(c2ccc(F)cc2)N3CCOCC3 -MOL_01_017331,CCN(CC)CC(C)c1cccn1-c2ccc(cc2)CNC(O)NC(C)C -MOL_01_017332,C1CCCCN1C(N)CCC(N)C2(CCCC2)c3ccc(F)cc3 -MOL_01_017333,c1ccccc1C(C(O)N2)NC23CCCCC3 -MOL_01_017334,Cc1ccc(cc1)C2CC(ON2)CC3(C(=O)NCCO)CCOCC3 -MOL_01_017335,FC(F)(F)c1ccc(cc1)CC(=N)c2nccn2CCc3ccncc3 -MOL_01_017336,Cc1cc(O)cc(c12)cc(cc2)CC(O)CCc3ncccc3CN -MOL_01_017337,NCc1cc(cnc1)C(CC(=O)C)CC(=O)C2CCCN(C2)C(=O)CCC3CCCCC3 -MOL_01_017338,CCCCCNC(O)c1ccc(c(c1)NC(C)O)Cc2ccc(C)cc2 -MOL_01_017339,CCC1CCN(C1)Cc2cc(c(N)cc2N)Cn3cncn3 -MOL_01_017340,C1CCCC12C(CC)CC(C2)Cc3ccc(N)c(N)c3 -MOL_01_017341,Clc1ccc(cc1F)NC(=C)C(=C)NC2OCN(CO2)C(=C)c3ccccc3 -MOL_01_017342,Nc1cc(ccc1)C(CCCC)c2cccc(N)c2 -MOL_01_017343,C=C(C)c1cccc(c1C)C2C(O)C(C)=C(C)C2O -MOL_01_017344,C12CCN(CC1)CC2C(=C)Nc3ccc(cc3)-c4ccc(CN)cc4 -MOL_01_017345,Nc1ccccc1C2CCCN2N -MOL_01_017346,CCC(=O)c1ccc(cc1)CC(C(=O)C2)C(=O)C2(CC)c3ccccc3 -MOL_01_017347,CC(C)C(N)C(O)Nc(c(Cl)c1)cc(c12)ccnc2O -MOL_01_017348,NCc1ccccc1-n2ccc(c2)C(=O)c3cc(CN)c(CN)c(c3)CN -MOL_01_017349,C=NC(=O)C(CC(C)C)NC(=O)Nc1ccc(CN)c(F)c1 -MOL_01_017350,NCCC(=O)CC(=O)CN1CCCC(C1)c2ccccc2Cl -MOL_01_017351,NCc1cccc(c12)nc3c(n2)c(N)ccc3 -MOL_01_017352,C=C(C)c1cc(CN)ccc1CC(=O)c2ccc(Cl)nc2 -MOL_01_017353,C1CC(C)CCC1(C)CCCc2ccc(N)c(c2)C(N)(N)N -MOL_01_017354,C=C(O)c1ncn(n1)CC(C)(C)c2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_017355,c1ccccc1C(N)(N)CCC(Cc2ccccc2)C(N)(N)c3ccccc3 -MOL_01_017356,Cc1cccc(n1)CC(O)C2CCC(CC2)Cc3c(C)nn(C)c3C -MOL_01_017357,NCc1ccc(cc1)C(N)C(C2CC2)Cc3ccncc3 -MOL_01_017358,C=C(O)c1cccc(c1)CC2CC(=O)C(C2=O)c3ccc(CC)cc3 -MOL_01_017359,CC(C)(C)C(N)CC1CCC(CC1)C(N)Cn2ccc(c23)ccnc3 -MOL_01_017360,C1CCCCC12N=C(C)N=C(C)C2Cc3ccc(CN)cc3 -MOL_01_017361,Cc1ccc(cc1)CCC(=N)Cn2cccc2C(=N)c3ccccc3 -MOL_01_017362,Cc1nc(=O)n(cc1N)C2CCCC2 -MOL_01_017363,C1CCc(c12)ccc(c2)CN(CC)C(=O)NC(C)Cn3ccnc3 -MOL_01_017364,C1CCc(c12)ccc(c2)NC(O)N3CCN(CC3)C(O)C4CCCC4 -MOL_01_017365,c1ccccc1-c2cccc(c2C)CCC(=N)NCc3ccncc3 -MOL_01_017366,C1CCCCC1C2CC(=N)N(C2=N)CCN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_017367,Nc1ccccc1NC(N)c2ccc(cc2)CNCc3ccc(cc3)-c4ccccc4 -MOL_01_017368,N1=NC(=C)N=C(C12C)N=NC(=C)C2C -MOL_01_017369,C1CC1Cc2c(N)c(nc(n2)C(N)N)C3CCCCCC3 -MOL_01_017370,CCCCCCn1cc(nn1)CN2CCC(C2)N3CCN(CC3)Cc4cccc(C)c4 -MOL_01_017371,CNC(N)N1CCC(C1)c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_017372,CC1CCCCN1C(=N)c2ccc(cc2)NC(=N)N(C3)Cc(c34)cccc4 -MOL_01_017373,NCCC1CCN(CC1)C(N)C(O)c2ccc(O)cc2 -MOL_01_017374,Cc1ccc(c(N)c1)CC(=N)C2CC2C -MOL_01_017375,CCCC(=O)C(C(F)(F)F)(NC(=O)CC)NCCc1ccccc1 -MOL_01_017376,NCc1ccccc1C(O)NCCCCc2c(F)cccc2Cl -MOL_01_017377,Nc1c(N)cc(cc1N)-c2cnccc2-c3ccccc3 -MOL_01_017378,c1ncnn1C(C)C(O)NCc2ccnc(c2)Cc3ccc(F)cc3 -MOL_01_017379,Nc1ccc(cc1N)C(CC2CCC2)Nc3ccccc3 -MOL_01_017380,CCCCc1ccc(cc1)Cc2c(Cl)nc(CN)nc2CN -MOL_01_017381,CN1C(O)CC(CC1O)c2ccccc2 -MOL_01_017382,Cc1cn(C)c(CN)c1CCCc2ccc(cc2)C(=O)C(C)C -MOL_01_017383,Cc1ccc(c(n1)C)CCC(C2O)C(O)c(c23)cccc3 -MOL_01_017384,NCc1cccc(c1)C2=CC(N)CC(C2)c3ccc(F)cc3 -MOL_01_017385,CCC(=O)CCC(=O)C(C)c1ccc(Cl)cc1C(=O)c2ccccc2 -MOL_01_017386,CC(C)c1cccc(c1)-c2ccc(C(C)C(N)N)cc2N -MOL_01_017387,CCCc1ncccc1C(=O)CC2CC(=O)C(C2)CC(F)(F)F -MOL_01_017388,CC1CCCCC1C(=N)CCc2ccccc2N -MOL_01_017389,CCCC(N)c1cccc(c1)CC(=NC(=N2)N)CC23CCCCC3 -MOL_01_017390,COc1ccc(cc1)Cc2c(O)nc(nc2O)CCC(N)NC34CC5CC(C3)CC(C5)C4 -MOL_01_017391,NNCCC(=C)NCC1CC(=C)N(C1)c2ccc(C(=C)C)cc2 -MOL_01_017392,CCc1cc(CC)nc(n1)Cc2cccc(CC(C)C)c2C(=O)C -MOL_01_017393,NCc1cc(ncn1)C2CCCC(C2)c3ccc(N)cc3 -MOL_01_017394,C1CCCCC1C(C=C2C)=C(C2=3)C=C(C3)C(N)Nc4ccc(cc4)CCC(N)N(C)C -MOL_01_017395,CCCC(=O)C1CCN(CC1)CC(=O)Cc(c2)ccc(c23)C(=O)CC3 -MOL_01_017396,CCCCNc1nc(NC)nc(Cl)c1CN -MOL_01_017397,c1ccccc1CN2CCCC2C(N)NC3CCN(CC3)Cc4ccccc4 -MOL_01_017398,CC(=O)CCC(=O)CC(CC(=O)C)Cc1ccc(cc1)-c2ccccc2 -MOL_01_017399,Cc1ccnc(n1)NCc2ccc(c(c2)CN)Oc3ccccc3-c4ccccc4 -MOL_01_017400,OC1C(C)=NC(O)c(c12)c(C)ccc2C -MOL_01_017401,c1ccccc1CCNC(=O)C(=O)NCC(c2ccco2)Cc3ccccc3 -MOL_01_017402,Cn1cc(cn1)CN(C2)CC(CCC3)C23CCc4ccc(cn4)CN -MOL_01_017403,Fc1ccc(cc1)C(=N)Cc2cc(ncn2)C3CCCCC3 -MOL_01_017404,CCCCCc1cc(N)nc(n12)cc(c2)N -MOL_01_017405,CC(=O)Nc1ccc(cc1)CCCC2CCC(CC2)C(=O)NCCC(C)C -MOL_01_017406,NCc1ccccc1CC2CCC(CC2)c3ccc(cn3)CC(CN)CN -MOL_01_017407,CC(C)c1nccc(n1)-c2cncnc2N -MOL_01_017408,CCc1ccc(cc1)C(=O)CCC(=O)CNC(=O)CCc2ccccc2 -MOL_01_017409,Cc1cnn(c1)CC2CCCN(C2)CC(=O)NCc3ccccn3 -MOL_01_017410,CC(=O)c1cc(Cl)c(Cl)c(c1)CCc2ccc(F)c(c2)CN -MOL_01_017411,CCCCCC(O)C1C=C=C(C1)c2ccc(N)cc2 -MOL_01_017412,CNCCC(=C)Nc1ccc(cc1)CCC(=C)Nc2ccc(C)cn2 -MOL_01_017413,Clc1ccc(cc1)CCC(=O)c2ccc(nc2)-n3cccn3 -MOL_01_017414,CC(=O)c1ccc(cc1)CC(C)(C)C(=O)N(C)CCCN -MOL_01_017415,Cc1nc(N)c(c(n1)O)Cc2ccc(cc2)OCC(N)N -MOL_01_017416,n1cccc(c12)NNNC(C)C2C -MOL_01_017417,Cc1c(C(C)O)c(cn1C)C(O)CC(C)(C)C -MOL_01_017418,NCc1cc(ccc1)C(=C)NCCN2CCN(CC2)c3ccccc3 -MOL_01_017419,CN(C)CCCC(O)C(c1ccccc1)c2ccc(CN)cc2 -MOL_01_017420,c1ccccc1CCC(O)CNC(O)c2ccc(Cl)cc2Cl -MOL_01_017421,c1ccccc1CCc2n(CC)c(nn2)CCC(N)Cc3ccc(cc3)C(N)c4ccccc4 -MOL_01_017422,c1cccc(c12)C(=N)N(C2=N)CCCNC3CCN(CC3)Cc4ccccc4F -MOL_01_017423,C=C(O)c1cccc(c1)C2=NCC(O)Cc(c23)ccc(c3)C(=C)O -MOL_01_017424,c1ccccc1C(c(c23)cccc2)=NC(C(=O)C3)CCC(=O)C -MOL_01_017425,C=C(C)c1cc(ccc1Cl)C(=O)Nc2ncccn2 -MOL_01_017426,CCC(CC)CC(=O)CCc1ccnc(c1)-n2ccnc2C -MOL_01_017427,NCc1cnc(cn1)NC(=C)Nc2cc(Cl)ccc2CN -MOL_01_017428,Cc1nc(CN)c(CO)c(n1)Cc2cccc(Cl)c2 -MOL_01_017429,COc1ccc(cc1OC)C(C=N2)OC2(C)OC -MOL_01_017430,NCc1ccc(cc1)/C=N/CCN(CC23)CC(C2)CN(C3)CCCCc4ccc(F)c(F)c4 -MOL_01_017431,CCC(O)C1CCC(=N1)c2ncccc2C -MOL_01_017432,NCc1cccc(c1)C2=CCN(CC2)CCN3CCCC3=O -MOL_01_017433,C1CCCCC1CC(=N)Cc2cccc(N)c2 -MOL_01_017434,Cc(n1)nc(C)c(c12)c3c(cc2)cc(N)cc3 -MOL_01_017435,Clc1ccc(cc1)C(CC(C)C)C(N)NCCc2ccc(c(c2)CN)CCCN -MOL_01_017436,CCC1CC(N=N1)n2ccc(C)nc2=O -MOL_01_017437,Cc1ccccc1C(=O)N2CCN(CC2)Cc3cc(ON)c(ON)c(c3)ON -MOL_01_017438,C=C(C)c1ncn(n1)CC(=O)C2CCC(CC2)c3ccc(C)cc3 -MOL_01_017439,NCCCCC(O)Cn1cc(cn1)CC(O)c2cccc(Cl)c2Cl -MOL_01_017440,Cc1nc(C(F)(F)F)ccc1C(=O)Cc2ccc(C(F)(F)F)cn2 -MOL_01_017441,Nc1ccccc1C(=O)C2CCC(CC2)C(=O)C3CC3 -MOL_01_017442,NCc1ccc(cc1)C(=O)Cc2ccc(nc2)-n3cncn3 -MOL_01_017443,C=C(O)c1cc(CC)ccc1C2CCC(CC2)C(O)CC -MOL_01_017444,FCC(N)Cc(cc(N)c1)c(c12)ccc(c2)CCc3cccc(F)c3 -MOL_01_017445,C1CCCCC1CNC(N)c2ccc(C)c(c2)C(N)Nc3ccc(N)nc3 -MOL_01_017446,c1ccccc1CC(C)C(=N)N(CC2)CCC23CC(=N)c4c(C3)cccc4 -MOL_01_017447,CCC(O)c1cccc(c12)Cc3c(C2)c(CN)c(F)c(F)c3CN -MOL_01_017448,Clc1cc(ccc1)C(=N)NCC(=N)N2CCN(CC2)Cc3c(F)cccc3Cl -MOL_01_017449,NCc1c(CN)cc(cc1CN)Nc2cc(ncn2)Nc3ccc(Cl)cc3 -MOL_01_017450,CC(C)(N)c1cn(cn1)C2CCN(CC2)C(N)CCC3CCCCC3 -MOL_01_017451,NCC(O)Cc1c(C)ccc(c12)C(CCC2)C3=NCCC3 -MOL_01_017452,Nc1cc(N)ccc1CC(=C)NCC(=C)Nc2ccccn2 -MOL_01_017453,Cc1ccc(cc1)CNC(O)c2cccnc2Cc3ccc(F)cc3 -MOL_01_017454,CNCc1ccccc1-c2ccc(c(C)c2C)-c3cnc(N)nc3 -MOL_01_017455,C1CCCC1c2ccc(cc2C(=C)O)C(=O)CCc3ccncc3 -MOL_01_017456,CCCCCc1c(CN)ccc(c12)C(=CCCC2)c3cc(CN)c(CN)c(c3)CN -MOL_01_017457,c1cccc(c12)C(N)C(=C(C)C2N)Cc3cccnc3 -MOL_01_017458,NCCC(=C)Nc1nn(cc1C)Cc2ccc(C)cc2 -MOL_01_017459,Cc1cccc(c1)C2=CCC(N)Cc(c23)ccc(c3)N -MOL_01_017460,Cc1c(N)cccc1CCC(N)Cc2ccc(N)cc2N -MOL_01_017461,Cc1cccc(c12)C(O)C(C)CN=N2 -MOL_01_017462,CC(N)c1cccnc1CC(N)c2cccc(N)c2 -MOL_01_017463,CCCc1nc(C(C)C)nc(n1)-n2ccc(C(C)C)c2C -MOL_01_017464,CC(=O)C(N)CC(C(=O)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 -MOL_01_017465,CCc1cccc(F)c1C(C)NC(N)NCCc2ccc(C)nc2 -MOL_01_017466,N=C1CCCC1Cc2ccc(C(C)C(C)=N)c(c2)-c3ccc(F)cc3 -MOL_01_017467,Cc1cn(C)c(C)c1CCC(O)CCc2cccc(c2)C(C)O -MOL_01_017468,Clc1cc(ccc1)N2C(N)=C(N)N(C=C2)CC(N)c3ccc(F)cc3 -MOL_01_017469,Cc1ccc(cc1)C(O)Nc2ccc(C)cc2C(C)O -MOL_01_017470,Nc1ccccc1C(C)C(O)Nc2ccc(CN)cc2 -MOL_01_017471,C1CCc(n12)ccc2NC(N)CCC3CCCC3 -MOL_01_017472,CCc1ccccc1CC(N)C(N)Cc2cccc(c23)cccc3 -MOL_01_017473,C=C(C)c1ccc(c(c1)CC)CC(O)C(O)CCC -MOL_01_017474,c1ccccc1C(NC(=N)NC)c2ccc(cc2)NC(C)=N -MOL_01_017475,Nc1ccccc1C(=O)NC(=O)Nc2ccc(cc2)Cc3ncccn3 -MOL_01_017476,NCC(=O)c1ccccc1NC(=O)Nc2ccc(CN)cc2 -MOL_01_017477,Fc1cc(ccc1)CC(C)NC(=O)NCC2(CN)CCCCC2 -MOL_01_017478,CCCc1cccc(c1)-c2nccc(n2)CCc3ccc(CN)cc3CN -MOL_01_017479,NCC(=C)CN(C)c1nccc(n1)CCc2ccc(cc2)CC(C)NC(=C)C -MOL_01_017480,FC(F)(F)c1ccc(cc1)CN(C)C(=N)C2CCC(=N)N(C2)C3CC3 -MOL_01_017481,Cc1nn(C)c(C)c1C(O)N2CCN(CC2)C(O)CC3CCCCC3 -MOL_01_017482,CCCC(=O)CC1=CC(CC1C)c2cccc(N)c2 -MOL_01_017483,O1OOOOOC1NC(=N)Nc2ncccc2CCc3cccc(F)c3 -MOL_01_017484,c1cncn1-c2ccc(cc2)Cc3cc(ncn3)Cc(c4)ccc(c45)CCC5 -MOL_01_017485,CCCCCCC(O)Cc1ccc(N)cc1C -MOL_01_017486,CCCC(CC(N)O)c1ccc(cc1)OCCCOc2cccc(Cl)c2 -MOL_01_017487,Nc1ccc(c(N)c1)CC(=O)C2=NCCCC2 -MOL_01_017488,c1ccccc1NC(CC)N2CCN(CNC2=O)Cc3ccc(C)cc3 -MOL_01_017489,CC(=O)C1CCCCC1C(=O)Cc2cc(N)cc(Cl)c2 -MOL_01_017490,CCc1c(CC)cc(cc1CC)CCc2nc(N)cc(n2)CC(N)N -MOL_01_017491,C1CCCCC1(C(C)N)Cc2ccccc2-c3cncnc3 -MOL_01_017492,Cc1ccc(cc1)Cc2nnc(nc2C)CCC(=O)Nc3ccccc3 -MOL_01_017493,c1cccnc1CCCC23C(CCC2)CN(C3)c4ncccn4 -MOL_01_017494,Cc1noc(c1C)NCc2cccc(c23)c(ccc3)NC(C)C -MOL_01_017495,COc1cccc(c1)C(O)CCc2ccc(cc2)-n3ccnc3 -MOL_01_017496,C1CCNCC1(C(=N)NC(C)C)Cc2ccccc2-c3ccccc3 -MOL_01_017497,Cn1ccnc1CCC(N)CC(N)Cc2c(F)cccc2F -MOL_01_017498,NCCC(=O)Cc1cc(C(F)(F)F)ccc1C2CCCCC2 -MOL_01_017499,CCCCCC(=O)c1ccc(cc1)NC(=O)N2CCN(CC2)CC(=O)NC(C)C -MOL_01_017500,Cc1cccc(n1)CC(N)c2cc(ccn2)-c3cccc(F)c3 -MOL_01_017501,Nc1ccc(cc1N)-n2c(nnc2C)CCc3ccccc3 -MOL_01_017502,CCc1c(CC)ccc(c12)CC(C2O)c3ccc(N)cc3 -MOL_01_017503,C=C(O)c1c(C)cc(nc1C)CC(=O)CNN -MOL_01_017504,CC(C)CNC(N)C1(C)CCCN1Cc2ccccc2CN(F)F -MOL_01_017505,NC(O)c1cc(ccc1F)NC(O)N2CCCCC2 -MOL_01_017506,C1CCCc(c12)ccc(c2)NC(N)CC(N)c3ccccc3 -MOL_01_017507,Cc1cc(O)cc(c12)cc(cc2)CC(O)CCCc3ccc(cn3)CN -MOL_01_017508,CN(C)C(O)c1cccc(c1)CN2CCCC(C2)Cn3cc(N)cn3 -MOL_01_017509,CC1=NN(C(N)C1)CCCc(c2)ccc(c23)Cc4c(N3)cccc4 -MOL_01_017510,CCc1ccc(C(C)CC)c(N)c1C(N)c2ccccc2 -MOL_01_017511,c1cccc(c12)CCC2CC(=N)C(CC3)CCC3(O)c4cccnc4 -MOL_01_017512,NCc1cccc(c1)NC(=O)CCC(=O)CCCc2ccccc2 -MOL_01_017513,c1cncn1CC(C)C(N)c2ccc(cc2)-c3ccccc3 -MOL_01_017514,C1CC1C(=O)c2ccc(cc2)CCCCN3CCN(CC3)C(=O)C4CCC4 -MOL_01_017515,NCCC(=C)C1CCC(CC1)C(=C)N2CC(CNN2)Cc3c(N)cc(N)cc3N -MOL_01_017516,CCCC(=N)CCNC(=N)N1CCCC(C1)C(=N)c2cccc(c2)CC(C)C -MOL_01_017517,CC1(C)CC(N)N(C1N)CN2CCN(CC2)c3ccc(Cl)c(Cl)c3 -MOL_01_017518,NCc1ccc(cc1)C(=C)NCc2nnc(n2C)CCCCc3ccccc3 -MOL_01_017519,CN1NC(C)(C)Cc(c12)ccc(c2)CN -MOL_01_017520,C1CCCCN1CCCC(=C)CCCN(C2=C)C=Cc(c23)cc(CN)c(c3)CN -MOL_01_017521,CCN(CC)c(c1)ccc(c12)c(C)c(c(c2)N)-c3ccc(N)cc3 -MOL_01_017522,CC(C)CCCC(C)(C)C(C1N)C(N)c(c12)cccc2 -MOL_01_017523,C=CC(=O)C(CC(=O)N)c1ccc(cc1)-n2cccn2 -MOL_01_017524,CC1=C(CN)CCC(N)C1Cc2c(C)cc(C)cc2C -MOL_01_017525,O1OOOOC1C(O)N2CCC(CC2)Cc3cccc(C(F)(F)F)c3 -MOL_01_017526,CCc1ccccc1CCC(=O)CCc2nnc(C)c(c23)cccc3 -MOL_01_017527,Nc1ccc(cc1Cl)CC(=C)C2NCC(CN2)Cc3ccc(cc3)N4CNNC4=C -MOL_01_017528,CCCCCCCCCC1=C(F)C(O)N(CC)N(CC)C1O -MOL_01_017529,Nc1ccccc1N2CCN(COC2)C(O)ON3CCCN(C3)C(N)N -MOL_01_017530,CCOc1ccc(cc1)OCc2ccc(cc2)C(N)Cc3cccnc3 -MOL_01_017531,NC1NNc(c12)nc3c(n2)cccc3 -MOL_01_017532,CC(=O)C(N)c1ccc(c(N)c1)-c2ccccc2 -MOL_01_017533,NCc1cc(CN)nc(n1)Cc2ccccc2C(=O)Cc3ccccc3Cl -MOL_01_017534,c1cncn1C(CC(C)(C)C)C(CCC)c2cccc(c2)CN -MOL_01_017535,c1cccc(c12)c(nnc2C)C(O)NCCCc3ccccc3 -MOL_01_017536,NC(O)c1cc(ccc1)NC(N)NC2CCC(CC2)Cc3ccc(Cl)cc3 -MOL_01_017537,CC(C)(C)c1ccc(cc1)Cc2nc(ncc2CN)-c3ccccc3 -MOL_01_017538,C1CCCCC1C(N)Cn(n2)cc(c23)CCCCC3 -MOL_01_017539,CC(=O)NC(C)CCc1ccc(cc1)Cc2ccc(nc2)CC(C)C -MOL_01_017540,CCCC(O)c(c1C)cn(c12)nnnn2 -MOL_01_017541,Clc1cc(Cl)ccc1C(C)Cn2cnc(c2)CCCN -MOL_01_017542,c1ccccc1C(CC(=O)C)CC(=O)Nc2ccc(cc2)Cc3ccc(CN)cc3 -MOL_01_017543,n1cccc(c12)C(O)c3c(C2O)cccn3 -MOL_01_017544,NCCc1ccc(cc1)CC(O)Cc(c2)ccc(c23)nccn3 -MOL_01_017545,CCc1ccc(N)cc1CC(=O)CCC2(C)CCC2 -MOL_01_017546,CCCC(=O)C1=C(CC2OOO2)C(=O)C(C3OOO3)C1C(=O)CCC -MOL_01_017547,Nc1cccc(n1)CCc(c2)cc(n23)CCCC3 -MOL_01_017548,C=C(O)c1ccc(C(O)CCCC)c(c1)CC(O)c2ccccc2F -MOL_01_017549,COc1cc(C)c(C(O)O)c(O)c1C -MOL_01_017550,Nc1ccc(cc1)C(C)CC(=NC2=N)CC2(C)c3ccc(N)cc3 -MOL_01_017551,NCCCCNc(c1)ccc(c12)C(=O)N=NC2=O -MOL_01_017552,CCc1ccc(cc1C(=C)O)C(O)CCC(O)CC(C)(C)C -MOL_01_017553,Nc1ccccc1CCCC(O)C2CCC(O)CC2 -MOL_01_017554,CC(C)C(=O)c1ccc(cc1)CCCc2c(N)nn(C)c2CN -MOL_01_017555,CCCCN1C(Cl)=NC(C(=O)C)=NN1CCC -MOL_01_017556,Cn1nccc1CCC(O)Cc2cc(C(F)(F)F)cnc2O -MOL_01_017557,CC(C)(C)N1CC(CC1=O)C(=O)Cc2ccc(CN)cc2 -MOL_01_017558,c1nncn1-c2ccc(Cl)c(c2)C(=O)Cc(c3)ccc(c34)CCCC4 -MOL_01_017559,Nc1ccccc1CC(=O)C(C)CC(=O)c2ccccc2Cl -MOL_01_017560,NCc1cc(ccc1)NC(=N)Nc2ccc(cc2F)C3CNCNO3 -MOL_01_017561,Cn1cc(cn1)CC(=O)CC2CCCC(C2=O)c3ccccc3Cl -MOL_01_017562,O=c1ccc(nn1C)Cc2cc(C)nc(n2)Cc3ccc(=O)n(n3)C -MOL_01_017563,C1CC1CC(=O)CN2C(=O)CC(C2=O)CCc3ccccc3 -MOL_01_017564,c1ccccc1Cn2c(nnc2C)CCC(O)N(C)c3ccccc3 -MOL_01_017565,CCc1cccc(c1)CC(=O)CCCC(=O)Cn(c2=O)ccc(c23)cccc3 -MOL_01_017566,Cn1c(N)nnc1CCC(=O)Cc2cc(C(F)(F)F)ccc2Cl -MOL_01_017567,C1CCCC1Cc2cc(ccc2CN)C(N)CC3CCCCC3 -MOL_01_017568,NCc1ccccc1Cc(c2)ccc(c23)C(N)N(C3N)c4ccccc4 -MOL_01_017569,CN(C)c1cc(ccn1)CCC(N)c2c(N)cccc2N -MOL_01_017570,NCc1ccnc(n1)Nc2ccc(Cl)c(c2)CCc3cccc(F)c3 -MOL_01_017571,C1CCCCN1CC(C)CC(=O)C(N=N2)=NN(N23)CCCC3 -MOL_01_017572,Clc1ccccc1CCC(N)N2CCN(CC2)CCc3ccccn3 -MOL_01_017573,c1ccccc1CN(C(C)C)C(=O)CCC(=O)c2cnccn2 -MOL_01_017574,Cc1cc(ccc1)NC(=C)NCc2nnc(n2C)CCc3ccccc3 -MOL_01_017575,NOc1ccc(cc1)Cc2cc(CCC(=N)O)cc(c2)CCNCc3ccc(Cl)cc3 -MOL_01_017576,C1CCc(c12)c(ccc2C)C(N)c3cccc(c34)ccc(c4)ON -MOL_01_017577,NC(N)(N)C(=O)c1cccc(c1)C(=O)CCC2CCCCC2 -MOL_01_017578,c1ccncc1CCCC2(C(C)=N)CCCN(C2)c3ncccn3 -MOL_01_017579,CN(C)c1cnc(c(n1)N)C(O)Nc2ccccn2 -MOL_01_017580,Cc1ccc(cc1C(C)O)-c2ccc(N)cc2 -MOL_01_017581,C=CC(=C)c1cnc(nc1)NC2(CC2)c3cccc(N)c3 -MOL_01_017582,CCc1cccc(n1)C(=O)CCc2cc(ncn2)C3CCCCC3 -MOL_01_017583,CN(C)C1CCN(C1)CCCNc2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_017584,NCCC(O)N(C1)CCCn(c12)c(cc2)CN3CCCC3O -MOL_01_017585,c1ncnn1CC(C)(CCCC)c2ccc(N)cc2N -MOL_01_017586,c1cccc(c12)CN(C2)C(N)Nc3ccc(cc3)C(N)N(CC4)CCC45CCNCC5 -MOL_01_017587,c1ccccc1CC(C(=N)O)NC(=N)C2CCC(CC2)c3ccccc3 -MOL_01_017588,Cc1ccc(cc1C(C)(N)N)C(N)CC(C(N)N)Cc2ccccc2 -MOL_01_017589,NCc1ncnc(N)c1CNCCc2ccccc2 -MOL_01_017590,c1cnccc1CNC(O)c2ccccc2-c3cccc(c34)cccc4 -MOL_01_017591,CNc1cccc(c1)C(N)c2ccn(c2)-c3cc(C)c(N)c(C)c3 -MOL_01_017592,C1CCCc(c12)ccc(c2)C(=O)CCNCn3ccnc3 -MOL_01_017593,CC(=N)Nc1cccc(c1)C2CCN(CC2)CCCC(=N)c3ccc(C)cc3 -MOL_01_017594,NCCCCCc1ccc(cc1)-c(c2)cc(N)c(c23)ccc(F)c3 -MOL_01_017595,C=C(C)c1ccnc(c1)-n2cc(CCN)cc2C -MOL_01_017596,Cc1cc(C)c(c(C)c1)CN2CCC(CC2)C(O)NCc3cccnc3 -MOL_01_017597,c1cccc(c12)cc(N)c(c2NCCC)NC(N)c3ccc(cc3)OCCC -MOL_01_017598,c1cncn1C(=N)N2CCN(CC2)C(c3ccccc3)c4ccccc4 -MOL_01_017599,CCCc1ccccc1Cn2nc(CN)cc2O -MOL_01_017600,CCN1CC(C(=O)CC)=Nc(c12)cc(N)c(c2)N -MOL_01_017601,CCc1cccc(n12)cnc2NNN -MOL_01_017602,CCCCC(=O)c([n+]([O-])c1)cc(c12)cccc2 -MOL_01_017603,CCc1ccc(cc1)-c2cc(C(=O)C)ccc2CCc3ncccn3 -MOL_01_017604,Cc1ccccc1CCc2nnnn2-c3cccc(O)c3 -MOL_01_017605,CC(O)c(c1O)cnc(n12)ccc2 -MOL_01_017606,c1ccccc1CC(CC)C(N)Nc2ccccc2N3CCCC3 -MOL_01_017607,Fc1ccc(cc1)Cc2cc(N)cc(c2)CC(N)c3ccncc3 -MOL_01_017608,Nc1ccc(cc1)C2C(C(N)OCCF)C(C2C(N)OCCF)c3ccc(N)cc3 -MOL_01_017609,CC(O)CCCC(O)CCc1ccc(N)cc1N -MOL_01_017610,Nc1ccccc1CC(N)CCCN2CCCCC2 -MOL_01_017611,Cc1ccccc1CC(=N)c2cccc(c2)C(C3=N)C(=N)C(C34)CC=CC4 -MOL_01_017612,NCc1cc(c(Cl)cc1Cl)NC(=O)Nc2ccccc2 -MOL_01_017613,CC1CCC(CC1)CC(O)Cc2cccc(c23)C(O)CC3 -MOL_01_017614,C=NC(N)c1ccccc1-c2ccccc2C(N)Nc3ccccn3 -MOL_01_017615,Cn1cc(cn1)CC(C(C)C)C(=O)c2ccc(CN)c(c2)CC(F)F -MOL_01_017616,C=C(O)c1cc(ccc1N)C(=N2)CCC2(C)C -MOL_01_017617,Clc1cc(cc(Cl)c1)CC(=N)c2cncnc2C(N)(N)N -MOL_01_017618,CC1(C)CC(O)N(C(O)C1)CCc2cccc(c23)ccc(c3)CN -MOL_01_017619,Nc1cnn(c1)-c2cc(ncn2)Cc3ccccc3 -MOL_01_017620,Cc1ccc(cc1)NC(=N)N2CCCC2C(=N)NCC3CCCCC3 -MOL_01_017621,C=C(C)c1ccc(c(c1)C(=C)C)C(O)C2CNC(NC2)Nc3ccccc3 -MOL_01_017622,Cc1cccc(n1)CC(N)c2ccc(cn2)-c3ccccc3 -MOL_01_017623,CC(C)(C)C(C)NC(O)c1ccc(cn1)CCc2cccc(F)n2 -MOL_01_017624,NCc1ccccc1-c2ccc(cc2)C(N)N(CC3CCCO3)Cc4ccccc4 -MOL_01_017625,NCc1ccc(cc1)Nc2nccc(n2)CCc3ccccc3C(F)(F)F -MOL_01_017626,c1cccn(c12)cc(n2)C(N)Cc3ccccc3 -MOL_01_017627,Cc1nnc(c(n1)C)C2CCC(CC2)C(O)c3ccccc3 -MOL_01_017628,C=C1CC(C)CC(C1)c2ccc(N)cc2N -MOL_01_017629,CC(C)CCCc1cc(C(N)C(C)C)nn1-c2ccccc2 -MOL_01_017630,C=C(O)c1ccc(c(N)c1)C2CCCC(C)C2 -MOL_01_017631,Cc1ccc(cc1C)C(N)NCC(N)Nc(c2)ccc(c23)CCC3 -MOL_01_017632,Nc1cc(ccn1)NNc2cn(c(n2)N)-c3ccccc3 -MOL_01_017633,c1ccccc1Cc(c2N)cc(c(c23)cccc3)C(N)Oc4ccccc4 -MOL_01_017634,NCc1ccc(cc1Cl)C2=NCC(N23)=NCC3 -MOL_01_017635,N=c1ccccn1CCC(=N)N2CCN(CC2)Cc3ncccc3N -MOL_01_017636,C=CC(=O)c1cnc(nc1)CC2(CC2)c3ccc(F)c(F)c3 -MOL_01_017637,c1ccccc1N(C)C(N)CCc2cc(C(F)(F)F)nn2C -MOL_01_017638,Cc1ccc(cc1C)CC(N)CCC(N)CCc2ccccc2 -MOL_01_017639,Cc1ccc(cc1)C(C2)CC(=O)c(c23)c(C)cc(c3)CN -MOL_01_017640,Cc1ccc(cc1)Nc2nc(N)nc(n2)CCC(C)C(O)NCc3ccccc3Cl -MOL_01_017641,c1cccc(c12)c(CC(C)O)cc(c2O)CCC -MOL_01_017642,Cn1cccc1NCc2cc(Cl)c(CCN)c(c2)CN -MOL_01_017643,C=C(C)c1ccc(c(C)c1)CC(O)CCC(O)CCC -MOL_01_017644,c1cccc(c12)ccc(c2)C(=C)NC3CCN(CC3)Cc4ccc(CN)cc4 -MOL_01_017645,C1CCCCC1NC(=O)C2=NCN(C(=C2)C)c3ccccc3 -MOL_01_017646,CC(C)(C1)CC(=N)C(=C12)C(CC(C2)=N)c3ccc(C(C)(C)C)cc3 -MOL_01_017647,CCc1ccc(c(CC)c1CC)C(O)CCC(O)CC23CN4CN(C2)CN(C4)C3 -MOL_01_017648,CCCC(=O)C1CCN(CC1)CCCNC(=O)c2ccccc2 -MOL_01_017649,NCc1ccc(n12)c(N)nc3c2cccc3 -MOL_01_017650,Cc1ncnc(CN)c1CCCC(N)Cc2ccccc2Cl -MOL_01_017651,Cc1cc(C)cc(c1)NC(N)CN2CCC(CC2)NC(N)c3ccccc3F -MOL_01_017652,Nc1cccc(c1)N2CCN(C2N)CC3CCCNN3 -MOL_01_017653,Cc1cccc(c1)C(=N)NCC(=N)NCC(c2ccc(CN)cc2)N3CCCCC3 -MOL_01_017654,NCc1ccc(F)cc1NC(=O)NCC2(CC2)CN3CCCCC3 -MOL_01_017655,NCCCCN(CCC1)C(O)C12CCN(C2)Cc3cccnc3 -MOL_01_017656,c1ccccc1CCC(C)CCc2ccc(N)cc2N -MOL_01_017657,NCc(cc1)cc(c12)cc(N)c(c2C)CCC(N)NCc3ccccc3CN -MOL_01_017658,NC(O)c1cccc(c1)Nc2ncnc(n2)N3CC(C3)Cc4ccc(F)cc4 -MOL_01_017659,CCCCC(C(C)O)Cc1cccc(c1)CN -MOL_01_017660,CCCC(=N)C(C1)CC1(N)c2ccc(c(N)c2)CC3CCCC3 -MOL_01_017661,c1cccc(c12)c(N)n(c2)C(N)Cc3ccccc3 -MOL_01_017662,CN(C)COCNCC(N)Nc1ccc(Cl)cc1C(N)c2ccccc2 -MOL_01_017663,Cc1c(C(=N)O)cnn1-c2ccc(cc2)CN(Cc3ccc(F)cc3)Cc4ccc(F)cc4 -MOL_01_017664,CCC(N)c1cc(N)cc(c12)ccc3c2CCCC3 -MOL_01_017665,c1cc(C)ccc1CN(C(=O)N(CC2)CCN2C)CC(=O)c3ccc(Cl)cc3 -MOL_01_017666,CC(=N)c1ccc(cc1)C2CCC(CC2)Cc3cc(N)ccc3N -MOL_01_017667,CN1CCN(CC1)Cc2ccccc2CNC(=N)c3ccc(Cl)cc3F -MOL_01_017668,c1ccccc1CN(CC)C(O)Cn(c2O)cc(c23)cccc3 -MOL_01_017669,NCc1c(CN)cc(cc1CN)C2(C)CCC(C2)CN3CCCCC3 -MOL_01_017670,Cc1ccc(cc1)CNC(=O)N(C23)C(CC2)CC(C3)CC(=O)Cc4ccccc4 -MOL_01_017671,NC(N)CCC(=O)c1ccc(cc1)CC(=O)C(C2)Cc(c23)ccnc3 -MOL_01_017672,Cc(c1)ccc(c12)CNN(N2C)CN3CNNNC3 -MOL_01_017673,CCc1ccc(cc1CC)NC(N)CCCC(N)c2ccccc2 -MOL_01_017674,CC(=O)Cn1cc(cn1)CC(=O)C(C)Cc2c(F)cccc2Cl -MOL_01_017675,Nc1ccc(cc1)C(N)C2CCC(CC2)C(N)C3CC3 -MOL_01_017676,CC(C)c1cc(N)nc(n1)Cc(c2)ccc(c23)CNC3 -MOL_01_017677,C1COCCC1C2=C(N)C(N)=C2CCc3ccc(cc3)C(N)CCCc4ccc(Cl)cc4 -MOL_01_017678,c1ccccc1CN(Cc2ccccc2)CC(=N)N3CCN(CC3)C(CN)c4cccnc4 -MOL_01_017679,Cc(n1)c(C)nc(c12)cc(N)c(N)c2C -MOL_01_017680,Cc1ncc(c(n1)C)NC(=O)Cc2ccccc2CN -MOL_01_017681,CCOc1cccc(c1ON(C)C)CNC(=O)C(C)(C)CN -MOL_01_017682,CCCC(=O)Cc1c(CN)c(CN)c(c(c12)cc(C)c(c2)C)CC(=O)CCC -MOL_01_017683,c1cc(O)cc(c12)cc(N)c(c2O)-c3ccc(O)cc3O -MOL_01_017684,COc1ccc(cc1)-c2cccc(c2)C(=N)N(C)Cc3cccc(c3)OC -MOL_01_017685,Clc1cc(Cl)ccc1C(N)NCC(N)CCCCc2ccccc2 -MOL_01_017686,NCCCNC(O)c1ccc(cc1)Cc2ccccc2 -MOL_01_017687,Cc1ccccc1C(=N)NCCN2CCN(CC2)c3ccccc3 -MOL_01_017688,C1CCCCC1c2cc(C)nc(n2)CCC(=O)c3ccccc3 -MOL_01_017689,Cc1cc(C)cc(c1)N(C2O)C(O)c(c23)ccc(c3)C -MOL_01_017690,c1ccccc1CC(CC)C(=O)NCC2=CN(CN)N(C)C=C2 -MOL_01_017691,CC(O)c1ccccc1Cc2nc(ncc2Cl)Cc3ccc(CN)cc3 -MOL_01_017692,Clc1ccc(cc1)C(CCN(C)C)CC(N)NCc2ccccc2 -MOL_01_017693,CN(C)c1cccc(c12)c(ccc2)C(=N)CC(CO)Cc3ccccc3 -MOL_01_017694,CN1CCN(CC1)C(N)c2ccc(cc2)CC(N)Cc3ccc(F)c(F)c3 -MOL_01_017695,Clc1ccc(cc1)OC(C(N)OC)c2ccc(cc2)Oc3ccc(CN)cc3 -MOL_01_017696,Cc1ccc(cc1)C(O)Nc2ccc(Cl)cc2C(C)O -MOL_01_017697,C=C(C)c1cnc(n1C)-c2ccc(N)cc2 -MOL_01_017698,C1CCC1C(=C)Cc2c(N)cccc2N -MOL_01_017699,Cc1ccccc1CC(=N)c(c2)ccc(c23)nccn3 -MOL_01_017700,Cc(n1)nc(C)c(c12)c(CN)ccc2 -MOL_01_017701,CCCC(=O)N1CCN(CC1)CCCCc2ccc(cc2)-c3ccc(CN)cc3C -MOL_01_017702,c1ccncc1Cc2cc(C)cc(c2)NC(N)c3cccc(Cl)c3 -MOL_01_017703,COc1cc(F)ccc1Oc2ccc(cc2)C(O)N(CC3CC3)Cc4ccc(C(O)O)cc4 -MOL_01_017704,C1CCCN1C(CCC)C(=N)c2ccc(C(N)(N)N)cc2 -MOL_01_017705,Cc1ccc(C)c(c12)c3c(CC2)cc(CN)c(C)c3CN -MOL_01_017706,CCc1ccc(cc1CC)NC(N)CC2(CC(C)N)CCCCC2 -MOL_01_017707,c1ccccc1N(C(C)CC)C2(C(C)CC)CCN(CC2)CCn3ncnn3 -MOL_01_017708,Nc1nc(CC(N)N)nc(O)c1Cc2ccccc2 -MOL_01_017709,CCN1CCC(CC1)N(C)C(N)NC2CCN(CC2)c3ccccc3C -MOL_01_017710,CC(=O)Nc1cccc(c1)CCCNC(=O)N(C)Cc2ccccc2 -MOL_01_017711,Cc1ccc(cc1F)C(N)NCCNC(N)c2cncnc2C(C)C -MOL_01_017712,C1CCCCC1N(C)c2nc(C)c(cn2)C(N)NCc3ccccc3 -MOL_01_017713,Nc1c(N)ccc(c1C)C(=O)Cc2cc(N)ccn2 -MOL_01_017714,CC(=O)c1nc(nc(C)c1C)-c2ccc(C)cc2 -MOL_01_017715,c1nnc(n12)c(cc(n2)N)CCCCc3ccccc3 -MOL_01_017716,CCc1nc(CC)c(c(n1)CC)C(=O)CC(C)C -MOL_01_017717,Oc1ccc(cc1)C2=NCN(CC2)CC3CCN=C(C3)c4ccccc4 -MOL_01_017718,CCCCc1cc(c(C(C)C)cc1CN)Cc2cnc(C)nc2C -MOL_01_017719,CCCC(N)Nc1cc(ccc1Cl)C(N)Nc2cccc(C)c2C -MOL_01_017720,Cc1ccccc1C2=CC(C=C2)c3ccc(N)cc3N -MOL_01_017721,C=C(O)c1cc(CCC)ccc1CC(O)c2cccnc2Cl -MOL_01_017722,N=C1CCCC1Cc2ccc(C(C)C(C)=N)c(c2)-c3ccccc3 -MOL_01_017723,CCN1CCC(CC1)N(C)C(O)NC2CCN(CC2)c3ccc(F)cc3 -MOL_01_017724,Fc1cc(ccc1)CN(C)C(O)CN2CCCC(C2)Cn3cccn3 -MOL_01_017725,CCN(CC)C(C)CCCC(=O)NC(=O)Oc1ccc(C(C)C)cc1 -MOL_01_017726,CC(N)Cc1c(C)c(cc(F)c1)C(N)c2ccc(F)cc2 -MOL_01_017727,c1cccc(c12)c(C)nnc2C(C)C(=O)C -MOL_01_017728,n1cccnc1C(=N)C(CCO2)CC23CCC(CC3)Cc4ccc(Cl)cc4 -MOL_01_017729,CC(=N)C(N)(N)c1ccc(c(N)c1)-c2ccc(N)cc2 -MOL_01_017730,Cc1nc(N)c(CN)c(C)c1Cc2ccccc2 -MOL_01_017731,Oc1ccc(cc1)C(=C)Nc2cc(O)c(c(O)c2)CCC(=C)N3CCCCC3 -MOL_01_017732,NCC(CN)C(=O)c1ccn(n1)CCc2cccc(Cl)c2Cl -MOL_01_017733,CN(C)CCCOc1ccc(cc1)CN2CCN(CC2)C(=N)c3ccc(Cl)c(Cl)c3 -MOL_01_017734,Nc1cc(ccc1)C(=N)CCC23CC4CC(C2)CC(C4)C3 -MOL_01_017735,NCc1cccc(c1)-n2ccc(c2)-c3cccnc3 -MOL_01_017736,CC(=O)CC(C(C)(C)C1)=Cc(c12)cc(CN)c(c2)CN -MOL_01_017737,CC(O)Cc1ccc(cc1C(O)CC)-c2ccc(N)cc2N -MOL_01_017738,CC(C)(C)c1ccc(cc1)C(N)NCCC(N)N2CCN(CC2)c3ncccn3 -MOL_01_017739,C=C(O)c1cn(c(n1)C)CC(O)CCc2ccc(C)cc2 -MOL_01_017740,c1cnccc1C(=N)Cc2cc(ccc2O)-c3ccccc3 -MOL_01_017741,Cc1cc(C)c(cc1C)CN2CCC(CC2)N3CCC(CC3)C(N)NCC4CCCC4 -MOL_01_017742,Nc1cccc(c1)CC(N)CC2CCC(CC2)c3ccccc3 -MOL_01_017743,C1CCCCCN1Cc2ccc(C)c(c2)C(=N)Nc3ccccc3CN -MOL_01_017744,CCCOc1ccc(cc1)C(=N)C(c2ccccc2)N3CCOCC3 -MOL_01_017745,COc1ccc(cc1O)-c(c(O)c2Br)cc(c23)c(OC)c(OC)c(c3O)OC -MOL_01_017746,CCc(c(N)c1)cc(c12)CCC2C(=O)C -MOL_01_017747,CC1C=C(C(=O)CN)C(CC1)c2ccc(CN)cc2 -MOL_01_017748,CCCC(C)C(N)Cc1cc(N)ccc1C -MOL_01_017749,CNC(=O)Nc1ccc(cc1)C(C)(C(C)(C)C)C(=O)CN -MOL_01_017750,Cc1cccc(c1)C(N)Nc2ccc(-c3cccc(c3)C(N)N)c(c2)-c4ccccc4 -MOL_01_017751,NCNC(C)c1ccc(cc1)Cc2ccc(Cl)cc2CN(C)C -MOL_01_017752,NNCC1=C(C)C(CNN)=C(C)C(C1)c2ccccc2 -MOL_01_017753,NC1(N)NC1C(O)c(c2)ccc(c23)cccc3 -MOL_01_017754,NCc1ccccc1CC2CCN(CC2)C(O)NCc3ccc(F)cc3F -MOL_01_017755,c1cccc(n12)nc(nc2=N)CCc3cccc(C(F)(F)F)c3 -MOL_01_017756,CN1CCN(CC1)C2(CCCCC2)CNC(O)c3ccc(CN)cc3 -MOL_01_017757,Nc1nnc(N)n1-c2ccc(Cl)cc2C(N)c3ccccc3 -MOL_01_017758,CCCCc1ncc(C(=O)C)c(n1)Cc2ccc(C)cc2 -MOL_01_017759,C=C(C)CC(C=C)NC(=C)c1cnc(nc1)CNCc2ccc(C)c(c2)C(=C)C -MOL_01_017760,CCC(C)Cc1ccc(cc1CN)CC(N)c2cccnc2 -MOL_01_017761,ONCCNC(CN)c1ccc(C)c(c1C)C(=O)c2ccccc2 -MOL_01_017762,Nc(c1)ccc(c12)CCC(=O)C(C2)CC3CC3 -MOL_01_017763,CCC(N)Nc1cc(ccc1CN)C(N)Nc2ccc(C)cc2 -MOL_01_017764,Nc1ccc(N)c(c1N)C(=O)CCC(=O)C2CCCC2 -MOL_01_017765,c1ccccc1NC(=O)CCc2ccccn2 -MOL_01_017766,CC(C)(C)OC(=O)Nc1cccc(c1)C2=NC(C(=O)O)CC2 -MOL_01_017767,CCCC(O)C1CNC(NC1)CC(O)c2cc(ccc2F)CCCNc3ccccc3 -MOL_01_017768,COc1cccc(c12)c(cc(c2)C(=N)O)CC(=N)C(C)CCc3ccccc3 -MOL_01_017769,Nc1ccc(c(N)c1)CCCCC2CC=CCC2 -MOL_01_017770,CC(C)(C)Cc1c(C)n(cn1)C(=O)CN -MOL_01_017771,Cc(n1)nc(C)c(c12)CC(N)CC2 -MOL_01_017772,c1cccc(c12)nc(nc2C)Cc3ccc(C(C)O)cc3 -MOL_01_017773,NC(=O)N1CC(C1)CCc2cccc(c23)cccc3 -MOL_01_017774,CC(=O)c1ccc(c(c1)CN)CCC(=O)Cc2cccc(n2)C -MOL_01_017775,Nc1ccc(c(N)c1)CCC(=O)CC2CC2 -MOL_01_017776,C1NCc(c12)cc(C(=O)N)c3c2c4c(cc3)cccc4 -MOL_01_017777,Cn1cc(cn1)C(=O)CCc2ccc(c(F)c2)C3CCCC(=O)C3 -MOL_01_017778,CNc1cc(ccc1N)CCC(N)CC(N)CCc2ccc(N)c(c2)NC -MOL_01_017779,CC(C)(C)CC(O)N1CCC(CC1)C2CCN(CC2)c3cccc(c3)C(N)O -MOL_01_017780,Nc1ccccc1CN(CO2)COC23c4c(N=N3)cccc4 -MOL_01_017781,Nc1ccccc1CCc(c2)ccc(c23)CCCCC3O -MOL_01_017782,c1ncnn1CCC(=O)N(CC)CC(C2)CCc(c23)cccc3 -MOL_01_017783,CCc1ccc(c(F)c1)CC(Cc2ccc(Cl)cc2)C3NNNCCC3=O -MOL_01_017784,NC(O)Cc1ccc(cc1)NC(N)c2cccc(c2)-c3cc(Cl)cc(Cl)c3 -MOL_01_017785,CC(N)C(C)Cc1ccc(cc1)Cc2ncc(C(N)(N)N)cc2Cl -MOL_01_017786,Cc1ccccc1CC(CC)C(=O)NCCCn2ccnc2 -MOL_01_017787,CC(O)CCn1cc(O)c(c1)-c2ccc(cc2)-c3ccncc3 -MOL_01_017788,Nc1cc(N)ccc1C(=N)C2CCC(CC2)c3ccccn3 -MOL_01_017789,NCc1cc(c(CN)cc1Cl)CN2CCNC2c3ccccc3 -MOL_01_017790,CCn1cccc1CCC(=O)c2cc(F)ccc2CN -MOL_01_017791,Cc(c1)ccc(c12)ccc(c2N)C(N)Cc3cccc(Cl)c3 -MOL_01_017792,Cc1ccc(cc1)CC2CC(=N)N(C2=N)Cc3ccc(CN)c(c3)CN -MOL_01_017793,CCOc1ccc(cc1)CCc2ccc(cc2)CC(C)NC(=N)CCOC -MOL_01_017794,CCOC(=O)C(=NO1)C(=O)CC1(C)CCc2ccccc2 -MOL_01_017795,NCc1cccc(c1)N(N2)Cn(c23)ccn3 -MOL_01_017796,N=c1ccc(C(F)(F)F)cn1CC(N)NC(c2ccccc2)c3ccccc3 -MOL_01_017797,CCc(c1)ccc(c12)c3c4c(c2)cccc4C(N)N(C3N)CCN(C)C -MOL_01_017798,CC1CCCCN1CCCNC(=N)c2ccc(cc2)N3CCCC3=N -MOL_01_017799,CCc1c(C)nn(c1C)CCN(C2)C(N)CCC23CCCC3 -MOL_01_017800,FC(F)(F)c1cc(ccc1)CCC(N)CCC(N)Cc2ccccc2 -MOL_01_017801,NCc1cc(CN)cc(c1)-c(c(O)c2)cc(c23)cc(CN)cc3CN -MOL_01_017802,CC1(C)C=C(C(C)(C)N1)C(=N)NCCCNCc2cccc(c2)Oc3ccccc3 -MOL_01_017803,c1ccccc1C(c2ccc(CN)cc2)(c3ccc(CN)cc3)C(=C)NCCc4ccccc4 -MOL_01_017804,c1cccc(c2CC)c1c3C(N)N(CCN(C)C)C(N)c(c3c24)ccc4 -MOL_01_017805,CC(O)CCc1cnc(O)nc1NCc2ccccc2 -MOL_01_017806,Cc1cc(C)nc(n1)CCC(=O)c(c2)ccc(c23)CCCC3 -MOL_01_017807,Cc1cccc(c1C)NC(CC2(N)N)=NC(=O)C2 -MOL_01_017808,CCC(=N)Nc1ccc(nc1)NC(=N)c2cccc(c2)CN -MOL_01_017809,CC(=O)CC(C(C)C)C(=O)Cc1ccc(N)c(N)c1 -MOL_01_017810,CCCCNC(N)Cc(c1C)c(N)cc(c12)cc3c(c2)CCC(C3)(C)C -MOL_01_017811,Cc1cc(O)nc(n1)CCC(=O)c2ccc(C)c(C)c2 -MOL_01_017812,CC(N)Cc1c(C)c(cc(c1)N)C(N)c2ccc(Cl)cc2 -MOL_01_017813,Clc1ccc(cc1)CC(=O)CC2CC(=NC2=O)N3CCCCC3 -MOL_01_017814,CCCNc1cccc(c1CN)NC(=O)C(=O)CCC -MOL_01_017815,CCC(O)C1CCC(=N1)c2ccc(N)cc2N -MOL_01_017816,OC1C(C)=C(C)C(O)c(c12)cc(cc2)CN -MOL_01_017817,C12CCN(CC1)CC2NC(=C)c3ccc(cc3)CCN -MOL_01_017818,NCC(C)(C)NC(O)c1cc(c(Cl)cn1)CCC2CC2 -MOL_01_017819,N=C(N)c1cccc(c1)NC(N)N(CCN2CCOCC2)CCC(c3ccccc3)c4ccccc4 -MOL_01_017820,Clc1ccc(cc1N)CC(=O)C(CCC23)C(CC2)CC3 -MOL_01_017821,c1ccnc(c12)ccc3c(c2=N)ccc(c3)Nc4ccccc4N -MOL_01_017822,c1cccc(c12)C(N)N(C2N)CCN3CCCN(C3)Cc4cc(F)cc(F)c4 -MOL_01_017823,CCCC(O)c(c1)cc(O)c(c12)c(CC(C)O)cc(c2)CC -MOL_01_017824,c1nccnc1C(N)Cc2cnn(c2)Cc3ccc(Cl)cc3 -MOL_01_017825,Cc1ccc(cc1)NC(N)N2CCC(CC2)C(N)Nc3ccc(C)cc3C -MOL_01_017826,CC1CCCN(C1)C(O)c2ccc(c(F)c2)CCc3ccc(CN)cc3 -MOL_01_017827,Cc1cccc(n1)C(O)N2CCCN(CC2)Cc3cnn(C)c3 -MOL_01_017828,COc1ccc(cc1)CCNC(N)c2cc(ccc2F)NCc3cc(F)ccc3F -MOL_01_017829,Cc1cccc(C)c1CCc(n2)cc(N)n(c23)ccc3 -MOL_01_017830,NC1(N)CC1(C)C(O)Cc(c2)ccc(c23)CCCC3 -MOL_01_017831,C1CCCCC1C(C(C)C)c2ccc(N)cc2N -MOL_01_017832,NCc1c(CN)cc(cc1CN)CCCNC(CN)Cc2ccccc2 -MOL_01_017833,c1cncn1C(C)C(=N)N2CCCN(CC2)Cc3ccc(CN)cc3 -MOL_01_017834,n1ccnc(c12)ccc(c2)C(=N)Cc3ccccc3 -MOL_01_017835,Nc1cc(ccc1)CC(=N)CC2CCC(CC2)c3ccccc3CN -MOL_01_017836,c1cccc(c12)cc(cc2N)CCC(N)C3CCC(CC3)C(N)C4CC4 -MOL_01_017837,CC(C)Cn(c1=O)cc(n12)nnnn2 -MOL_01_017838,C=C(O)c1ncccc1CCC(O)CC(C)c2ccc(F)cc2 -MOL_01_017839,Clc1ccc(cc1)CNC(O)CCC(O)c2ccc(cc2)CN3CCCC3 -MOL_01_017840,Cc1ccc(cc1)CN(C)c2ccc(cc2)C(=O)NCc3ccccc3CN -MOL_01_017841,Cc1cc(O)cc(c12)cc(cc2)CC(C)C(O)CCc3ccccn3 -MOL_01_017842,NCc1ccc(cc1Cl)CC(O)CN2CCN(CC2)C(O)C3CCCC3 -MOL_01_017843,COCCOc1cccc(c1)Cc2ncc(F)c(n2)Cc3cccc(c3)OCCOC -MOL_01_017844,CC(=N)NC(C)Cc1ccc(cc1)CCc2ccc(cc2)OCC3CCOCC3 -MOL_01_017845,CCC(=C)CCC(=C)c1ccc(cc1)-n2nnnc2CN -MOL_01_017846,CC(=O)c1cnc(nc1C)Nc2ccccc2CN -MOL_01_017847,COc1ccc(cc1OC)C(N(C)C)CNC(N)c2ccc(cc2)CN3CCCC3 -MOL_01_017848,CCC(C)(C)NC(N)c(c1)ccc(c12)C(N)c3c(C2)cccc3 -MOL_01_017849,Cc1ccc(cn1)Cc2cnc(nc2N)CCCCCc3ccccc3 -MOL_01_017850,CC(=O)c1ccc(CC(C)C)c(c1)CC(C(=O)C)C(=O)C -MOL_01_017851,Fc1cc(ccc1)C(N(C)C)C(N)N2CCN(CC2)CCCN -MOL_01_017852,NC1NCCc(c12)c(ccc2)CCCCCN3CCCCC3 -MOL_01_017853,NCc1ccc(cc1)C(N)Nc2ccccc2C(N)Nc3cccc(C(F)(F)F)c3 -MOL_01_017854,NCCC(O)N(C1)CCCn(c12)c(cc2)CN3CCCC3 -MOL_01_017855,CC(=N)CCCC1c(cccc2)c2N=Nc(c13)cccc3 -MOL_01_017856,Nc1ccc(cc1)C2(N=NC(C2)(C)C)c3ccccc3 -MOL_01_017857,CC(=O)c1nc(nc(C)c1C)Cc2ccc(Cl)c(Cl)c2 -MOL_01_017858,NCCCNCCCNC(C1N)=CC(N)c(c12)cc3c(c2)cc4c(c3)cccc4 -MOL_01_017859,C=C(C)c1ncccc1CCC(=O)Cc2ccccc2CN -MOL_01_017860,CC(O)C(N)Cc1cccn1-c2ccc(CN)cc2 -MOL_01_017861,Cc1cccc(c1)C(=N)NC2CCN(CC2)C(=N)Nc3ccccc3C -MOL_01_017862,Cc(n1)ccc(c12)ccc(n2)C3CCC(C=O)CC3 -MOL_01_017863,CC(N)c1ccccc1NC(N)c2ccc(cc2)-c3ccccc3 -MOL_01_017864,CCC(C)CCc1cc(N)ccc1N -MOL_01_017865,NCCCN(CCCN)C(N)c1ccc(cc1)NC(N)N(C2)Cc(c23)cccc3 -MOL_01_017866,CC(=N)Cc1c(cccc2)c2c3C(=N)N(CCN(C)C)C(=N)c(c3c14)ccc4 -MOL_01_017867,CCCCNC(=O)c1ccn(c1N)-c2ccccc2 -MOL_01_017868,Cc1cccc(c1)C(=O)CCC(=O)NC(=O)NCc2ccccc2 -MOL_01_017869,Nc1cccc(c1)CC(N)CC2CCCCC2 -MOL_01_017870,CCn1cnnc1CNC(O)N(C)Cc(c2)ccc(c23)CCC3 -MOL_01_017871,NCc1ccc(c(Cl)c1CN)C(=C)Nc2c(Cl)cncc2Cl -MOL_01_017872,CCCc1cccc(c1C(=O)C)Cc2nc(CN)cc(n2)CN -MOL_01_017873,CC(=O)Cc1ccc(cc1)C(=O)CCC(=O)Cc2ccc(Cl)cc2C(=O)c3ccccc3 -MOL_01_017874,Cc1ccccc1C(=C)NC(C(N)N)C(=C)Nc2ccc(C)c(C)c2 -MOL_01_017875,Cc1cccc(C)c1NC(N)CN(C)CC(N)Nc2cc(Cl)ccc2CN -MOL_01_017876,CN1CC(CC1N)c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_017877,c1cccc(c12)nc(nc2O)NNc3ccccn3 -MOL_01_017878,CCc1ccccc1CCCC(N)C(CC2)=Nc(c23)ccnc3 -MOL_01_017879,CCCCCc1cc(CC(N)O)cc(c1)-c2ccccc2 -MOL_01_017880,C=C(O)c1ccc(c(Cl)c1)CC(=O)c2cc(Cl)ccc2CCCCN -MOL_01_017881,CCCCN(C1)C(O)CCC12CCN(CC2)C(O)c3ccc(C)cc3C -MOL_01_017882,Nc1ccc(c(N)c1)CC(N)N(C2)Cc(c23)cccc3 -MOL_01_017883,Cc1cccc(c1)C(N)CCCCCC(N)Cc2cccc(F)c2 -MOL_01_017884,Cn1ccc(c1)C(C)(N)CNc2ccccn2 -MOL_01_017885,c1cccc(c12)cc3c(c2)C(CC3N)(c4ccc(O)cc4)c5ccc(O)cc5 -MOL_01_017886,NCc1ccc(cc1)CC(=N)Nc2cc(Cl)ccc2N3CCCC3 -MOL_01_017887,NCc(c1C)c(C)c(C)c(c12)CC(CC2N)c3ccccc3 -MOL_01_017888,c1ccccc1C(C2N)C(N)c3cccc(c3c24)ccc4 -MOL_01_017889,Cn1c(N)nnc1CCC(O)CCc(c2)ccc(c23)CNC3 -MOL_01_017890,Cc(c1)ccc(c12)CN(C2)C(=N)Nc3ccc(cc3)C(=N)NC4CCCC4 -MOL_01_017891,CC1=CC(CC1)C(N=N2)=NN(N23)CCCC3 -MOL_01_017892,c1cc(Cl)ccc1C(C)(c(cc2)ccc2N)Cn3cncn3 -MOL_01_017893,CC(C)NC(=O)c1ccc(nc1)CCc2ccccc2 -MOL_01_017894,CCCCOc(c1C)oc(=O)c(c12)cc(N)cc2 -MOL_01_017895,Nc1nnc(nc1C)CC(N)C(N)Cc(c2)ccc(c23)cccc3 -MOL_01_017896,CCOc1ccccc1C(N)Cc2ccc(cc2)C(N)c3ccccc3 -MOL_01_017897,Cc1ccc(cc1)C2CC(CC2=O)C(=O)OCc3ccccc3F -MOL_01_017898,Cc1cc(N)cc(c12)cc(cc2)CCC(N)c3ccccc3C(F)(F)F -MOL_01_017899,CC(C)(C1)Cc(c12)cccc2CCC(=O)CCC(=O)NCc3ccccc3 -MOL_01_017900,NCC(=O)c1ccc(cc1)CC(C)NCC(C)c2cccc(Cl)c2Cl -MOL_01_017901,FC(F)(F)CC(N)(N)Cc1c(CN)ccc(c1C)CC(C)CC2CCC=C2N -MOL_01_017902,CC1(C)C(=O)C=C(C1=O)Cc2ccccc2N -MOL_01_017903,C=c1[nH]c2cc(cccc3)c3c(c2c14)c(CN)c(c4)CN -MOL_01_017904,OC1CC(C)(C)Cc(c12)cc(cc2C)CCC(O)NCc3cccc(c3)CN -MOL_01_017905,c1ccn(c12)C(O)CN(C)C2O -MOL_01_017906,Nc1ccccc1CC2CCCC2=O -MOL_01_017907,Clc1cc(ccc1)C(N)Cc2cc(ccn2)Oc3ccc(C(F)(F)F)nc3 -MOL_01_017908,c1cccnc1C(=O)C(CCC)CC(=O)Cc2ccccc2CC -MOL_01_017909,C=C(O)c1cccc(c1)CC(O)CCC(O)C(CC)CC -MOL_01_017910,CC(N)c1ccc(cc1)-c2ccc(cc2)NCc3ccccc3N -MOL_01_017911,Cc1cccc(n1)CCCCc2cncc(c2)C(=O)CN -MOL_01_017912,CCCc1cc(C)n(c1)Cc2ccc(C)nc2N -MOL_01_017913,CCc1ccccc1C(N)CCCCCc2ccccc2N -MOL_01_017914,CCCCC(=O)Nc1ccc(cc1C)NCc2ccc(F)cc2 -MOL_01_017915,CCCC(=O)c1cccn1Cc2cc(N)ccc2Cl -MOL_01_017916,NCC(C)CCc1ccc(cc1)CNc2cc(CN)ccc2CN -MOL_01_017917,Cc(n1)nc(C)c(c12)c3c(cc2)ccc(c3)CN -MOL_01_017918,Nc1ccc(cc1N)C2(C(C23)CCC3)CCCC4CCC4 -MOL_01_017919,c1cccc(c12)ccc(C)c2Nc3ccccc3C(=O)CN -MOL_01_017920,N=C1CCCCC1C(c2ccc(N)cc2)Cc3ccc(N)cc3N -MOL_01_017921,C=C(O)c1ncn(n1)CCC(=O)Cc2cccc(c2)CNc3ccccc3 -MOL_01_017922,c1ccccc1C(CN(CC2)CC2O)N(C)C(=N)CC(=N)NCc3ccccc3 -MOL_01_017923,CCc1ccc(N)cc1C2CC2CCCc3ccccc3N -MOL_01_017924,c1nccnc1C(N)C(C2)CCc(c23)cccc3 -MOL_01_017925,c1ccccc1CCN(C)CCNC(=N)c2ccc(cc2)N3CCCC3=N -MOL_01_017926,Clc1cc(ccc1)C(=O)Cc2cccc(n2)Cc3cncnc3 -MOL_01_017927,NCc1c(CN)c(CN)ccc1C(=C)Nc2ccc(cc2)CN3CCCCC3C -MOL_01_017928,c1cccc(c12)C(N)N(C2N)Cc3ccc(cc3)CCN4CCN(CC4)Cc5ccccc5 -MOL_01_017929,Fc1nnnnc1C2=CC(CC2)c3nnnnn3 -MOL_01_017930,NCc1ccc(CN)c(c1)CC(N)Cc2ccc(cc2Cl)C3CCCCC3 -MOL_01_017931,CCCC(=O)CC1(C(F)(F)F)CC(=O)C(C1=O)c2ccc(F)cc2 -MOL_01_017932,CC(C)c1cc(ccc1)C(CC(N)NC)CCc2ccc(cc2)CC(C)(N)N -MOL_01_017933,CCCCc1nc(ncc1C)Cc2ccc(N)c(N)c2 -MOL_01_017934,CCc1ccc(cc1)N2CCC(C)N2c3ccnc(N)c3 -MOL_01_017935,CN(C)Cc1ccc(cc1)C(=C)NCC(c2ccc(CN)cc2)N3CCCCC3 -MOL_01_017936,CC1CCC(CC1)CC(c2cccc(N)c2)C3(N)CCCCC3 -MOL_01_017937,Cc1c(Cl)c(nn1C)C(N)CC(C23)C4CC(C2)CC(C3)C4 -MOL_01_017938,Nc1cc(ccn1)NC(N)c2cc(Cl)c(Cl)cc2Cc3ccc(F)cc3 -MOL_01_017939,CCN1CCC(NC1N)CN(Cc2ccccc2)Cc3ccccc3C -MOL_01_017940,C1CCCCC1NCc2ccc(CC)c(c2)C(N)N3CCCCC3 -MOL_01_017941,NCCN1CCC(CC1)Cc(c2)ccc(c23)CC(=O)C(N)C(=O)C3 -MOL_01_017942,CCCCc1ccccc1C(C)c2nc(CN)cc(n2)CN -MOL_01_017943,CC1=CC(C)C(C(C)=C1)c2ccc(N)c(N)c2 -MOL_01_017944,Cc1ccc(c(C)c1)NC(=N)CN2CCC(CC2)NC(=N)Cc3ccccc3 -MOL_01_017945,CCC1CCCCN1CCCNC(=N)C2CC(=N)N(C2)CCc3ccccc3 -MOL_01_017946,c1cccc(c12)C(N)C(C2N)(c3ccc(C)cc3)c4ccc(C)cc4 -MOL_01_017947,c1cnccc1-c2nc(C)c(cn2)C(C)CC(=O)CC3CCCCC3 -MOL_01_017948,CCNC1CC(C(=O)N1CC)CC(=O)NC2CCCCC2 -MOL_01_017949,NCc1ccc(cc1)Nc2nc(F)nc(n2)Nc3ccc(cc3)N4CCCCC4O -MOL_01_017950,CC(=O)CCC1CCC(CC1)C(C)c2ccc(N)cc2N -MOL_01_017951,C1CCCC1C(CC(=O)C)C(=O)c2cc(N)ccc2C -MOL_01_017952,CCc1cc(C(=O)C)ccc1CCC(=O)NCCCn2nc(C)cc2C -MOL_01_017953,C=CC(=O)C(CC(C)C)NC(=O)NCc1cn(cn1)CCc2ccccc2 -MOL_01_017954,N=C(C1)CC(=N)c(c12)ccc(c2)-c3cccc(c3)-c4ccccc4 -MOL_01_017955,CC(=O)Cc1cccc(c1N)C(C)c2ccc(Cl)cc2 -MOL_01_017956,c1ccccc1NCc2ccc(CCC(N)N)c(c2)C(N)CC(c3ccccc3)c4ccccc4 -MOL_01_017957,C1=NC(C)=NC(N12)=NCC(C2)C(=N)c3ccc(N)cc3 -MOL_01_017958,C=C(O)c1cccc(c1)-c(c2)ccc(c23)CC(O)CC3O -MOL_01_017959,Fc1cnn(c1)CCC(=O)N2CCN(CC2)CCCc3ccccc3 -MOL_01_017960,c1ccccc1C(C)NC2(CCCCC2)CNC(N)CC(C)(C)C -MOL_01_017961,NCc1cc(CN)cc(c12)CC(CC2=C)c3ccc(CN)c(C)c3 -MOL_01_017962,NCc1ccc(cc1)CNC(N)Cc2ccc(cc2N)-c3ccccc3 -MOL_01_017963,c1cncnc1CC(=O)c2ccccc2-c3ccccc3 -MOL_01_017964,C=C(C)c1cnc(Cl)nc1Cc2ccccc2CN -MOL_01_017965,Nc1cccc(c1)CC2CCCC2N -MOL_01_017966,c1ccccc1NN(CC(=C)C)C(=O)CC(C(=O)CC)Nc2ccccc2 -MOL_01_017967,CCCC(=O)C1C(=O)CC(CC(=O)C)=NC1c2ccc(C)cc2 -MOL_01_017968,COc1cc(cc(OC)c1C)C(N)NC(c2ccccc2)c3ccccc3 -MOL_01_017969,Fc1ccc(F)cc1NC(=N)c2ccc(nc2)C(=N)Nc3cc(F)ccc3F -MOL_01_017970,Oc1ccc(cc1)CCC(O)CCCCc2ccc(cc2)CC(O)Cc3ncccn3 -MOL_01_017971,Cc1cccn(c1=O)Cc2ccc(cc2CN)-c3ccccc3 -MOL_01_017972,NCN(C)C1CCN(C1)Cc2cn(cn2)Cc3ccc(F)cc3 -MOL_01_017973,NCc1cc(ccc1)C(C)C(N)C2(CCCC2)c3ccccc3 -MOL_01_017974,CCC(O)Nc1c(C)nn(c1C)C(O)CC -MOL_01_017975,CCCN(CCC)C(C1)CCC(=C12)N(CN)N=NN2CN -MOL_01_017976,CC1(C)CC(C)(C)Cc(c12)ccc(c2)NC(=N)Nc3ccc(CN)cc3 -MOL_01_017977,CC(=O)C1CCCCC1C(=O)Cc2ccccc2C(=O)Cc3cccc(Cl)c3 -MOL_01_017978,Cc1ccc(cc1N)C2CCC(CC2)C(N)C3CCCC3 -MOL_01_017979,Nc1cccc(c1)C(N)c(n2)ccc(c23)cccc3 -MOL_01_017980,OCC(C1)(CO)C(=N)C(C1=2)CC(CN2)C(c3ccccc3)c4ccccc4 -MOL_01_017981,CC(O)C(C)c1ccc(cc1F)Nc2ccccn2 -MOL_01_017982,CC(N)c1ccc(nc1)Cc2cccc(N)c2 -MOL_01_017983,c1cccc(c12)CCC(C2)C(=N)Cc3ccccc3N -MOL_01_017984,CCCC(=O)c(c1)ccc(c1=2)=CC(=O)C(N2)=O -MOL_01_017985,C1CCCC1C2=C(C(=O)CC2)C(=O)CC(=O)c3ccccc3 -MOL_01_017986,NC(N)C(=C)N1c(cccc2)c2Cc(c13)cccc3 -MOL_01_017987,Nc1cccc(c12)C(CC2=N)c3ccccc3 -MOL_01_017988,Cc1ccc(cc1)CCNC(=N)C2CC(=N)N(C2)C3CCCCC3 -MOL_01_017989,Clc1ccccc1CCNC(=N)C2CCC(=N)N(C2)CCCc3ccccc3 -MOL_01_017990,CC(=O)C(C)Cc1ccc(cc1)Cc(n2)cnc(c23)cccc3Cl -MOL_01_017991,CC(=O)Nc1ccc(cc1)CNCC2CCC(CC2)C(=O)NCCCN(C)Cc3ccccc3 -MOL_01_017992,O=C1C=C(C)NC(=O)C12CC2C(=O)CC(C)C -MOL_01_017993,c1ncncc1C(=O)Cc2ccc(cn2)-c3ccncc3 -MOL_01_017994,NCc(c1)ccc(c12)CC(CC2)CCC(=O)c3cnc(nc3)CC(N)N -MOL_01_017995,Cc1ccnc(n1)NC(=O)CCC(=O)c2ccc(F)cc2F -MOL_01_017996,C1CCc(c12)ccc(c2)C3CC(=O)C(CN)=C(C3)CCc4ccccc4 -MOL_01_017997,C=C1CC(NC)CN1c2ccc(C(N)N)cc2 -MOL_01_017998,C1CCc(c12)ccc(c2)CC(=N)N(CC)CC(=N)Nc3c(F)cccc3F -MOL_01_017999,Cc1ccnc(n1)CCc2ccc(c(N)c2)CC(N)C(C)C -MOL_01_018000,Cc1ncccc1C(O)NCC(C)Cc2ccc(F)cc2 -MOL_01_018001,CCc1cnc(C)nc1CCc2ccc(CN)cc2CN -MOL_01_018002,Cc1cc(C)nc(n1)NC(C)NC(O)c2cccnc2Cl -MOL_01_018003,CC(O)CCc1cc(C)c(cc1)CCc2cccc(N)c2 -MOL_01_018004,NCc(c1)c(CN)cc(c12)ccc(c2)N3CCCCC3 -MOL_01_018005,CCc1ccc(cc1)CC(N)N2CCCC(C2)Cn3cnc(c3)CN -MOL_01_018006,NCC(C)CCc1ccc(nn1)Cc2nc(NC(C)(C)C)nc(n2)N3CCCCC3 -MOL_01_018007,Nc1cccc(c1)CC(N)Cc2cccc(c23)ccc(c3)N -MOL_01_018008,Cc1ccc(cc1)CCC(=O)CCC(=O)NC2CCCCCC2 -MOL_01_018009,Cc1cc(CC(C)(C)C)ccc1CC(O)CCC(C)O -MOL_01_018010,CC(C)Cc1cc(cc(n1)O)C(O)N2CCC(CC2)CCN -MOL_01_018011,Cc1ncc(c(n1)C)Cc2ccccc2CCN -MOL_01_018012,CCCCCCc1cccc(c1CN)CC(O)C(O)CCC -MOL_01_018013,CCC1C(=O)CCC1C(=O)CCc2c(N)ccc(N)c2N -MOL_01_018014,CC(=O)c1ccc(cc1C)CCc2cccc(c2)NC(=O)CC(=O)CN -MOL_01_018015,Fc1ccc(cc1C)CCc2ccc(cc2)C(=O)NCc3ccncc3 -MOL_01_018016,CC(C)CC(=O)c1ccc(CN)c(c1)CN -MOL_01_018017,c1ccccc1NC(=N)c2ccccc2NC(=N)C3CCCCC3 -MOL_01_018018,CC(C)N(C(C)C)C(=N)c1ccc(cc1)CCC2CCC(=N)N(C)C2 -MOL_01_018019,CNNc1cc(C)nc(n1)CCC(O)Cc2ccccc2 -MOL_01_018020,CCN(C)C(=O)Cc(c1)ccc(c12)CCC2N -MOL_01_018021,CC(=N)N(CC1)CCc(c12)ccc(c2)C(=N)CCCN(C)Cc3ccccc3 -MOL_01_018022,Cc1cncc(c1)NC(N)c2ccc(cc2)CN3CCCC(C3)C(N)N -MOL_01_018023,CC(O)c1ccn(c1)-c2ccc(c(c2)CN)CCCCN -MOL_01_018024,CC(O)c1ccc(cc1)CCc(n2)cc(O)n(c23)ccc3 -MOL_01_018025,Oc1ncc(C(F)(F)F)cc1CC(O)CCc2ccccn2 -MOL_01_018026,NCCn1cccc1NC(=O)c2cc(Cl)ccc2Cl -MOL_01_018027,Nc1ccc(N)cc1C(C(=O)CC)CC(=O)C2CCCC2 -MOL_01_018028,c1ccccc1CNC(=O)CCC(C)Cn2cnc(c2)CN(C)CC3CCCCC3 -MOL_01_018029,C1CCOC(C)=C1C(N)Cc2cccc(c2)C(N)CCc3ccc(F)cc3 -MOL_01_018030,CCC(=O)c1nccnc1CCC(=O)C2CCC(CC2)C(=O)c3ccccc3 -MOL_01_018031,Cn1cccc1C(N)C(CC2)CCC23CC(C3)c4ccccn4 -MOL_01_018032,CCc1ccc(cc1)CC2=NC(=N)C(=N)c(c23)cccc3 -MOL_01_018033,CC(=O)N(C)CC(=O)NC(C)c1ccc(cc1)CCCC(C)C -MOL_01_018034,CN(C)Cc1c(C)n(nc1C)CC(=O)NCC2CCCC2 -MOL_01_018035,CCC(C)NC(=C)c1ccccc1NCC2=NCCN2 -MOL_01_018036,C=CC(=O)c1ccc(cc1)CNC(=O)Nc2cc(N)ccn2 -MOL_01_018037,CCc1cc(c(C)nc1C)NCc2ccc(C)cc2CN -MOL_01_018038,NCc1ccc(cc1)C(C)c2nccc(n2)Nc3ccc(CN)cc3 -MOL_01_018039,Nc1ccc(cc1)C(=N)CN2CCN(CC2)c3ncccn3 -MOL_01_018040,c1cccc(c12)CC(CC2=N)c3ccc(N)cc3N -MOL_01_018041,CCC(CC)NC(=C)c1ccc(cc1)NC(=C)N(C2)Cc(c23)ccc(c3)CN -MOL_01_018042,CCc1ccc(cc1CC)CCCCC(O)C(N)(N)N -MOL_01_018043,CCN(CC)CCNc1ccc(CNC)c(c12)cc3c(c2N)cccc3 -MOL_01_018044,C1CCCC1C(O)Cc2cn(cn2)CC(O)C3CCCCCC3 -MOL_01_018045,C1CCCCC1CN(CC2C)CC23CCN(C3=N)Cc4cccnc4 -MOL_01_018046,Nc1ccc(c(N)c1N)C(=O)CCC2CCCC2 -MOL_01_018047,Nc1cc(ccc1)CC(C)CC(=N)CC(C)c2ccccc2 -MOL_01_018048,CC(C)CCC(N)N1CCCN(CC1)C(N)Cc2ccc(C(C)(C)C)cc2 -MOL_01_018049,O=c1ccc(cn1C)Cc2nc(NCC)nc(n2)N3CCCCC3 -MOL_01_018050,Clc1ccc(cc1)NC(=N)CN(C)CC(=N)Nc2cc(Cl)ccc2CN -MOL_01_018051,Nc1cccc(n1)CC(=O)c2cc(ccn2)Cc3cccnc3 -MOL_01_018052,C=C(O)c1cccnc1Cc2ccccc2CN -MOL_01_018053,NCc1cc(CN)c(cc1C)-c(c2)cc(F)c(c23)c(C)cc(c3)CN -MOL_01_018054,Cc1cc(CN)c(cc1N)C(O)CC2CCCCC2 -MOL_01_018055,OCC(C)(C)NCc1cc(CC)c(cc1)CCC(N)Nc2ccc(C)cc2 -MOL_01_018056,CC1CCC(CC1)CC(O)c2cc(ccn2)Cc3cccnc3 -MOL_01_018057,Cc1ccc(cc1)-n(c2N)cc(c23)cc(N)cc3 -MOL_01_018058,C1CCN=C1CCC(=C)Nc2cc(C)c(Cl)cc2CN -MOL_01_018059,c1ncnn1C(N)C(=C)N(CC2)CCC2(C(=C)CCN)CCc3ccccc3 -MOL_01_018060,CCC(C)CNCC1=CN=C(C1=2)C(=O)N=CN2 -MOL_01_018061,CCc1ccccc1CCCC(=O)C(CC2)=Nc(c23)ccnc3 -MOL_01_018062,CCCCC(=C)NC1=NC(CN1C)c2ccccc2N -MOL_01_018063,CC(C)(C)n1nc(cc1C)C(O)CCC2(C(C)O)CCCCC2 -MOL_01_018064,NCc1cccc(c12)ncc(n2)Cc3ccccc3 -MOL_01_018065,C1CCCCc(c12)c(C)cc(c2)CN(CC(N)N)C(=C)C(N)CNCc3ccccc3 -MOL_01_018066,NC(N)CC(C)C(=C)N1CCC(CC1)C(=C)NC(N)C(=C)NCc2ccccc2CC -MOL_01_018067,NCC(=O)c1ccc(cc1)C(=O)Cc2ccc(nc2)-n3ccnc3 -MOL_01_018068,NCn1nc(nc1N)-c2ccc(Cl)cc2 -MOL_01_018069,O=C1CC(C(=O)N1)Cc(cc2)cc(C3)c2CCC34CCCCC4 -MOL_01_018070,FC(F)Cc1ccc(cc1)CNCC(C)c2ccc(cc2)NC(=O)c3ccncc3 -MOL_01_018071,Clc1ccc(cc1)CC(C(C(=C)C)NC(N)N)CNNCC2CCCCC2 -MOL_01_018072,C1CCCCCC1CC(=N)Cn(n2)cc(c23)CCCCC3 -MOL_01_018073,CCc1cc(CC)cc(c1)C(O)CCC(O)N(C)c2ccccc2 -MOL_01_018074,Cc1cc(C)n(c1)-c2nc(NC(C)(C)C)nc(n2)N3CCCCC3 -MOL_01_018075,Cc1cc(C)nc(n1)CCCC(O)Nc2ccccc2C -MOL_01_018076,CCc1ccc(cc1)CCNC(=O)CCC(=O)CCC(=O)c2ccc(F)cc2 -MOL_01_018077,OC(Cl)C(C(O)C1)=Cc(c12)nnnn2 -MOL_01_018078,CCc1ccc(ccc1=O)-c2ccc(cc2)C3CC(CC3=O)CCC(=O)C -MOL_01_018079,CCc1nnc(n1CN)CNC(=O)C23CC4CC(C2)CC(C4)C3 -MOL_01_018080,CCCCCC(N)c1ccc(cc1)OCCCN2CCN(CC2)C(N)C(C)C -MOL_01_018081,NCc1cccc(c1)Cn2ccnc2CC(C3)CCc(c34)cccc4 -MOL_01_018082,CC(N)CCc1ccc(cc1N)CCc2ccccc2 -MOL_01_018083,CCCOCn1cnc(c12)ncnc2C -MOL_01_018084,N=C(N)C1CCN(CC1)CC(O)CCc2ccc(cc2)-c3ccccc3 -MOL_01_018085,CC(O)c1cnc(nc1O)-c2cccc(C(F)(F)F)c2 -MOL_01_018086,Cc1cc(CN)c(CN)cc1NC(O)CCn2cccc2 -MOL_01_018087,CC(C)(C)c1cc(C)cc(c1)Nc2ncccc2CN -MOL_01_018088,CCC(C)NCCC(N)Nc1ccc(Cl)c(c1)CNc2ccc(Cl)cc2 -MOL_01_018089,c1cnccc1CN2CCC(CC2)c(c3)ccc(c34)ONO4 -MOL_01_018090,NCc1ccc(cc1)NC(=O)CCc2ccnc(n2)Nc3ccc(CN)cc3 -MOL_01_018091,c1cncn1CCCN2CC(=N)N(CC2)Cc3ccc(Cl)cc3 -MOL_01_018092,CCC(CC)CNC(N)c1ccc(cc1)NC(N)N(C2)Cc(c23)ccc(F)c3 -MOL_01_018093,c1cccnc1CC(=N)Nc2ccc(cc2)CCNCC(O)CCc3ccccc3 -MOL_01_018094,Nc1ccc(nc1)Nc2ccc(cc2)C3CCCNC3 -MOL_01_018095,CC(N)C(=N)c(c1)ccc(c12)C(CC2)C(=N)C3CC3 -MOL_01_018096,Fc1ccc(cc1)NC(O)CN(C)C(O)c2cccc(c2)CN3CCN(CC3)c4ccc(F)cc4 -MOL_01_018097,c1nccnc1C(N)N(CC2)CCC23CN(C3)Cc4ccccc4 -MOL_01_018098,CC(C)CC(O)Cc1ccc(cc1)CCC(O)Nc2ccncc2N -MOL_01_018099,Clc1ccc(cc1)NC(N)C(C2CC2)Nc3cccc(c34)cccc4 -MOL_01_018100,CC(=O)C1CCCC1C(=O)c2ccc(cc2)CC(=O)c3ccc(F)cc3 -MOL_01_018101,Fc1cc(ccc1)CC2(C(N)OCC)CCC(CC2)C3CCOCC3 -MOL_01_018102,NCc1ccc(cc1)-c(c(CN)c2N)cc(c23)cc(Cl)cc3 -MOL_01_018103,CC(=O)NC(C)Cc1ccc(cc1)CCc2ccc(Cl)c(c2)CN -MOL_01_018104,c1ccccc1CN(CC2CC(N)N(C)CC2)Cc3cccc(c3)CN -MOL_01_018105,CCCc1ccc(cc1)C(N)C(C)Cc2nccn2CC(F)(F)F -MOL_01_018106,CC(C)CCc1c(C(C)N)ccc(c12)ccc(c2)N -MOL_01_018107,Cc1cc(C)c(c(C)c1)Nc2cc(C)cc(N)c2C(C)N -MOL_01_018108,c1cccc(c12)C(N)N(C2N)CCCN3CCN(CC3)CCCNCC4CCCCC4 -MOL_01_018109,CCC1C(=O)CCC1C(=O)CCc2cccc(N)c2N -MOL_01_018110,N=C(O)c1cccc(c1)-c2cccc(c2)Cc3nccc(n3)C(F)(F)F -MOL_01_018111,Cc1cccc(c1)CCCNC(N)c2cc(ccc2Cl)-n3cnnc3 -MOL_01_018112,c1ccnn1CCNC(N)c2ccc(cc2)NC(N)N(C3)Cc(c34)cccc4 -MOL_01_018113,OC(N1)C(C)Nc(c12)nccc2 -MOL_01_018114,Cc1ccccc1NC(N)Oc2ccc(cc2)CC(N)N3CCN(CC3)Cc4ccccc4 -MOL_01_018115,CCCC(CC(=N)O)c1ccc(cc1)Oc2ccc(CN)c(c23)cccc3 -MOL_01_018116,NCc1ccccc1CN(C)Cc2ccnc(n2)C3CCCC3 -MOL_01_018117,O=C1CCC(=O)C1=CC(=O)Cc2cn(cn2)-c3ccccc3 -MOL_01_018118,c1cccc(c12)cc(c(C)c2N)-c3cc(CN)c(CN)c(c3)CN -MOL_01_018119,C=C(C)c1c(C)ncnc1Cc2ccc(cc2)CC(=O)N -MOL_01_018120,CN(C)c1ccc(cn1)NC(O)NCc2cccnc2CN -MOL_01_018121,C1NCc(c12)ccc(c2)NC(=C)CN(CN)Cc3ccccc3 -MOL_01_018122,C1CC1CC(=O)N(CC2)CC23CCCN(C3)CNOc4ccccc4 -MOL_01_018123,NCc1ccc(Cl)cc1CCC(=O)CCCc2ccccn2 -MOL_01_018124,CCc1ccccc1-c2ncc(C(C)O)c(n2)O -MOL_01_018125,NCc1ccc(cc1)C(N)Nc2cc(ccc2N)-c3ccccc3 -MOL_01_018126,NOc1ccc(cc1)Cn2cnc(c2)C(N)N3CCN(CC3)Cc4ccccc4 -MOL_01_018127,Cn1ccc(n1)CN(CC2)CCC23CCC(C3)Nc4ccccn4 -MOL_01_018128,C1CCC1CC(CC)NC(N)c2cnc(C3CC3)c(n2)CCC4CC4 -MOL_01_018129,CCCNC(=N)c1ccc(cc1)CN(Cc2ccc(Cl)cc2)C3CCCCNC3=N -MOL_01_018130,CCCC(O)c(c(N)c1)cc(c12)CCCC2 -MOL_01_018131,C=C(O)c1cccc(C(=O)C)c1C(=O)Cc(c2)ccc(c23)cccc3 -MOL_01_018132,NOc1cccc(c1)CCc(c2)ccc(c23)C(=O)NCC3 -MOL_01_018133,c1cccc(c12)C(CCC2C)c3ccc(N)c(N)c3 -MOL_01_018134,CC1CCC(CC1)CC(N)c2ccc(nc2)NNc3ccccc3 -MOL_01_018135,CC(N)c1cc(cn1C)-c2ccncc2 -MOL_01_018136,CC(C)(C)OC(N)N1CCC(CC1)c2ccc(cc2)C(N)Nc3ccc(O)cc3 -MOL_01_018137,CC(=O)C(C1)CC(C12)CC(C2)(CN)c3ccc(CN)c(c3)CCC4CC4 -MOL_01_018138,NC(O)CCc1cc(c(Cl)cc1C)CC2CCCC2 -MOL_01_018139,C1CCCCN1CCN(C2=N)C(=N)c(ccc3)c4c3cc(c5c24)cccc5 -MOL_01_018140,CCCCNC(N)CCc1c(C)cc(C)cc1N -MOL_01_018141,CC1(C)CC(C)(C)N(C=O)C1C(=O)O -MOL_01_018142,c1ccccc1-c2cc(N)nnc2CCc3ccccc3 -MOL_01_018143,C1CNCCC12CCC(C2)(C(=O)N=C)Cc3ccc(cc3)Cc4ccc(C)cc4 -MOL_01_018144,CCc1cc(n(n1)C)C(=N)NCc2ccc(cc2)Oc3ccc(C(F)(F)F)cc3 -MOL_01_018145,NCCCCCc1cccnc1CC(N)Cc2ccccc2F -MOL_01_018146,C1CCCCN1CC(C)CCc2c(N)cc(N)cc2N -MOL_01_018147,Nc1ccccc1C(C)CC(=NC2=N)CC2(C)C(C)C -MOL_01_018148,NCc1cc(ccc1)CC2(C(=C)CCN)CCN(CC2)C3CCCCC3 -MOL_01_018149,Cc1ccnc(n1)CCC23C(CCC2)CN(C3)C(=O)C4=CCCCC4 -MOL_01_018150,FC(F)(F)C(=C)NC(CC(=C)C)C(=C)Nc1ccc(CN)cc1 -MOL_01_018151,Nc1ccc(cn1)C(N)Cc(c2)ccc(c23)CCC3 -MOL_01_018152,CCc1ccc(cc1)CC(=O)c2cc(C(=C)O)c(cc2)CCC3CCNN3 -MOL_01_018153,NCCNC(=C)C1(N)CCN(C1)C(=C)CCCc2ccccc2 -MOL_01_018154,c1cccc(c12)c(N)c3c(c2)c(OCC4CC4)ccc3Cn5ccnc5 -MOL_01_018155,CCC(N)c1ccc(cc1)-c2ccc(cc2)NC(N)c3ccccc3 -MOL_01_018156,c1cccc(c12)CC(C2)NC(=C)Nc3c(C(N)N)cccc3C(N)N -MOL_01_018157,O=C1CC(C(=O)N1)Cc(cc2)cc(CC3)c2CC34CCCCCC4 -MOL_01_018158,Nc(c1)ccc(c12)ccc(c2)CNC3CCN(C3O)Cc4cccc(c4)C(N)N -MOL_01_018159,CC(N)c1ccc(cc1CC)-c2ccc(N)cc2 -MOL_01_018160,CC(N)NC(C1)CCc(c12)ccc3c2cc(cc3)CN -MOL_01_018161,c1cnccc1CN(C)C(=C)NCc2cn(cn2)-c3ccccc3 -MOL_01_018162,NCc1cccc(c1)-n(c2O)cc(c23)cccc3 -MOL_01_018163,CN(C)CC(C)(C)Oc1ccc(cc1)-n2ccc(cc2=N)OCc3ccccc3 -MOL_01_018164,c1nc(C)cc(c12)C(N)c3c(C2N)cccc3 -MOL_01_018165,C=C(C)c1ccc(N)c(c1)NC2=NCCCCC2 -MOL_01_018166,CC(C)c1ccc(cc1)NC(N)c2ccc(cc2)C(N)NC3CCN(CC3)CC4CCCCC4 -MOL_01_018167,NCc(c1)ccc(c12)CCC(=C2)C(=O)CCc3cccnc3 -MOL_01_018168,Cc1ccc(cc1)NC(N)Cc2nnc(n2C)CCC(N)NC3CCCC3 -MOL_01_018169,C=C(O)c1ccc(cc1)C(O)Cc2cnn(c2)Cc3ccc(Cl)cc3 -MOL_01_018170,Cc1cccc(n1)C(O)CCc2cccnc2CN -MOL_01_018171,CCCC(O)C1CCC(CC1)C(O)Cc2ccccc2 -MOL_01_018172,C1CCc(c12)ccc(c2)CNC(C)CCC(C)c3cccc(CN)c3CN -MOL_01_018173,CN(C)c1nc(N)nc(n1)-c2cc(Cl)ccc2CN -MOL_01_018174,c1cccc(c12)CC(C)(C2=N)CCCCC(=N)Nc3ccccc3N -MOL_01_018175,Cc(c1)cc(C)c(c12)C(O)Cc3c(C2)c(C)c4c(c3)CCC4O -MOL_01_018176,c1cccc(c12)c(C)c3c(c2C)C(O)C(C3O)Cc4ccc(F)cc4 -MOL_01_018177,NOc1ccc(cc1)CCc2ccc(cc2F)C(N)N3CCCC(O)C3 -MOL_01_018178,c1cnccc1CNC(=C)C(=C)NCC2CCCN2Cc3ccc(Cl)cc3 -MOL_01_018179,CCCc1c(CN)c(Cl)c(CN)c(CCC)c1CN -MOL_01_018180,NC1CC(C)(C)Cc(c12)cc(cc2)CCc3cccc(N)c3 -MOL_01_018181,C1CCCCC1C(=O)c2cncc(n2)C(CCC3)CCC34CCNCC4 -MOL_01_018182,CC(C)(O)C(O)CCc(c(c1)CN)cc(c12)cc(O)cc2 -MOL_01_018183,C1CCCC(C12)C(=C)C(C2=C)c3ccccc3C(N)(N)N -MOL_01_018184,CC(N)Cc1cccc(c1)CCC(N)CCCC2=CCCCC2 -MOL_01_018185,Fc1cccc(F)c1CC(O)N(C)CC(O)Nc2ccc(F)cc2 -MOL_01_018186,CC(C)CN(C)c1nccc(n1)CCc2ccc(cc2)CC(C)NC(C)N -MOL_01_018187,Cc1cccc(N)c1NC(N)Cc2ccc(F)cc2 -MOL_01_018188,NCc1ccc(cc1)CC2CNCCC2=O -MOL_01_018189,CCCc1ccc(cn1)NNc2ccc(cc2)C(C)NC(=O)C -MOL_01_018190,NC1(N)N=C(C)N=C(C)N1c2ccc(cc2)CCCCN -MOL_01_018191,C=C(C)CC1=C(C)N=C(CN)N(C)C1=C -MOL_01_018192,NOc1ccccc1Cc2nc(CCCCCO)nc(n2)N3CCCC3 -MOL_01_018193,c1cccnc1CCC2CCC(CC2)c(n3)ccc(n34)nnc4 -MOL_01_018194,CCN1C(=N)CC(C1=N)N2CCN(CC2)C(c3ccccc3)c4ccccc4 -MOL_01_018195,CC(C)CCC(CC1)=C(N)c(c12)cc(N)cc2 -MOL_01_018196,c1ccccc1CCC(O)CC2CCC(CC2)c3ncccn3 -MOL_01_018197,NC(N)(N)c(cc1)cc(C2)c1CCC23CC=NC3 -MOL_01_018198,Cc1ccc(nc1)NC(N)CNC(N)c2ccc(cc2)Oc3ccccc3 -MOL_01_018199,Clc1ccc(cc1)CC(N)C(=O)Cc2ncccn2 -MOL_01_018200,Clc1ncc(cc1)NC(N)c2ccc(cc2)-c3ccccc3 -MOL_01_018201,c1cccc(c12)cccc2C(=N)NC3CCC(CC3)C(N)C(=N)N4CCCC4 -MOL_01_018202,O=C(C)C1CC(=O)CC12CCC(CC2)C(=O)Cc3cc(C)ccc3C -MOL_01_018203,CCCc1ccc(cc1CC)-c2nnn(n2)CCN -MOL_01_018204,C=C(C)c1ccc(CN)c(c1)CC(N2CCCC2)C(=C)c3ccc(CN)cc3 -MOL_01_018205,Cc1ccc(cc1C)CC(N)Cc(c2N)ccc(c23)cccc3 -MOL_01_018206,Cc1cc(cc(c1)C)NC(=C)Cn2cc(CNC(C)(C)C)c(c2)CNC(C)(C)C -MOL_01_018207,CCC(CC)CC1(O)CCN(CC1)C(N)Cc2cccc(c2)Oc3ccc(F)cc3 -MOL_01_018208,CC(C)(C)NC(=O)NC(=O)CCC(=O)c1cccc(c1)CN(F)F -MOL_01_018209,CCc1cc(C)c(Cl)cc1C(=O)NNC2NCN(CN2)CC3NNN3 -MOL_01_018210,C=C(O)c1cc(C)n(n1)CC(=O)CCc2ccc(CN)cc2 -MOL_01_018211,Cc1cccc(c1)C(=O)NC2=NCCC2 -MOL_01_018212,CC(=O)Cc1ccc(cc1)CC2CCN(CC2)CCCC3C(C)=NCCN=C3c4ccccc4 -MOL_01_018213,CC1(C)NCC(N1)CCCC(N)NCc2ccccc2 -MOL_01_018214,CCc1ccc(cc1)CCC(N)CCc2c(C)cc(C)nc2N -MOL_01_018215,C=C(O)c1ccc(c(c1)C(=C)O)C2CCC(CC2)C(O)CN -MOL_01_018216,C=NC(N)CCC1=CCCN(C1N)CCCCc2ccc(cc2)-c3ccccc3 -MOL_01_018217,CCc1ccc(cc1)NC(O)CN2C=CN(C(O)=C2O)c3ccccc3 -MOL_01_018218,Nc1ccc(cc1)C(C)CC(N)C23CC4CC(C2)CC(C4)C3 -MOL_01_018219,COc(c1)ccc(c12)cccc2CCC(C(=N)C3)C(=N)CC3(C)C -MOL_01_018220,NC(=O)c1cc(Cl)c(cc1CC)-n2cccc2 -MOL_01_018221,Clc1c(Cl)cccc1C(C(C)=N)CC(=N)c2ccccc2 -MOL_01_018222,NCc(c1)c(CN)cc(c12)ncc3c2c4c(nc3)cccc4 -MOL_01_018223,CCC(=O)CCc1c(C(=O)C)ccc(N)c1N -MOL_01_018224,CCC1CC(C=C1C)n2cnc(c2)CCN -MOL_01_018225,c1ccccc1CNC(=O)COC(=O)c2ccccc2CNC(=O)N3CCCC3 -MOL_01_018226,c1cccc(c12)c(N)n(c2)CC(N)NCc3ccccn3 -MOL_01_018227,Fc1cc(ccc1)CC(CC)CNC(=O)C2=NC(=O)N=N2 -MOL_01_018228,NCc1cc(N)c(c(N)c1)Nc2ccc(F)c(n2)Nc3ccc(F)cc3 -MOL_01_018229,CCCNc1nnc(c(n1)C)Cc2ccc(CN)c(c2)CN -MOL_01_018230,CCc1ccc(cc1)NC(O)CCc2ccnc(n2)Nc3ccc(CN)cc3 -MOL_01_018231,Fc1ccc(cc1F)CNC(=N)CCC2CCCN(C2)C(=N)c3ccncc3 -MOL_01_018232,CC1=NC(=O)CC(=C1)C(=O)Nc2cccc(c2)CN -MOL_01_018233,C=CC(=O)c1cnc(nc1)CC2(CC2)c3ccc(F)c(C)c3 -MOL_01_018234,C1CCc(c12)c(O)n(c2O)-c3ccccc3 -MOL_01_018235,CC(=O)c1cccc(c1)CC(=O)CCC(=O)c2ccccn2 -MOL_01_018236,CCCC(=N)Nc1cccc(c1)NC(=N)c2ccccc2C(F)(F)F -MOL_01_018237,CC(C)CC(N)c1cc(CN)n(n1)-c2ccccc2 -MOL_01_018238,CC(=N)c1cccc(c1)-c(c2)ccc(c23)CC(=N)C3(C)C -MOL_01_018239,c1cccc(c12)c3c(cc2C)cc(c(c3)N)C(N)N4CCCCC4 -MOL_01_018240,NCc1ccc(cc1CN)CCNC(=O)CNCC2CCCC2 -MOL_01_018241,CC(C)CCNCc1cc(C)c(cc1)Cc2ccc(C(=N)N)cc2F -MOL_01_018242,COC1CCN(CC1)C(CCOC)C(N)Oc2c(OC)cccc2OC -MOL_01_018243,CCc1cccc(c1)CC(C)C(N)c(c2)ccc(c23)nccn3 -MOL_01_018244,Cc1cc(N)ccc1CC(CC2)CC2(N)CC3CCCCC3 -MOL_01_018245,NCc1cc(ccn1)CNC(N)N(C2CC2)Cc3ccc(F)cc3F -MOL_01_018246,Cc1ccc(cc1)CC(C)(N2O)N(O)c(c23)cccc3 -MOL_01_018247,n1ccnc(c12)ccc(c2)CCC(O)c3ccc(cc3)C(O)CCc(c4)ccc(c45)nccn5 -MOL_01_018248,Cc1cc(C)c(c(n1)O)CNC(O)NCC2CCCCC2 -MOL_01_018249,NCCn1ccc(c1)C(O)NCc2ccccc2-n3cccc3 -MOL_01_018250,Cc1ccc(cn1)CC(O)Cc2cc(F)cc(c2)CC3CCC(CC3)C(O)CN -MOL_01_018251,c1ccccc1CCNC(N)c2ccc(cc2)NC(N)N(C3)Cc(c34)cccc4 -MOL_01_018252,NCc1ccc(cc1)C(c2ccc(CN)cc2)n3cnc(c3)COc4ccc(cc4)-c5ccccc5 -MOL_01_018253,Cc1ccc(cc1)CNCCC2CCC(=O)N2 -MOL_01_018254,CC(C)(C)c1ccc(cc1)CCCC(=O)CCC(=O)NC(=O)NC2CCCC2 -MOL_01_018255,C1CC1C(=O)CC(C(=O)CC)c2cc(N)ccc2N -MOL_01_018256,CC(C)N(CC1)CC12CCN(CC2)C(=N)c3cccnc3 -MOL_01_018257,Nc1ccc(cc1N)C(CCCC2)C23CCCCC3 -MOL_01_018258,c1ccccc1C(c(cc2N)ccc2)(CCC(N)C(N)N)c3ccc(C)cc3 -MOL_01_018259,c1cncn1CC(c2c(Cl)cc(Cl)cc2)NNc3ccccc3 -MOL_01_018260,C=C(C)c1ccc(c(N)c1)C2CCC(CC2)CC(Cl)O -MOL_01_018261,C1CCCC1Cc2cc(C(=C)O)c(c(c2)C(=C)O)C(CCN)CCN -MOL_01_018262,CC(O)C(C(O)C1)=Cc(c12)cc(Cl)cc2 -MOL_01_018263,C1CCCCN1CCN(C)C(=N)N(CC2)CCC23CC(=N)c4c(C3)cccc4 -MOL_01_018264,c1cccc(c12)CN(C2)C(N)C(N)CCCCNCc(c3)ccc(c34)cccc4 -MOL_01_018265,C=C(O)c1cc(CN)c(CN)cc1CCC2CCNC2 -MOL_01_018266,c1cccc(c12)ccc(C)c2C(c3ccc(CN)cc3)N4CCCC4=N -MOL_01_018267,CCC(O)CCCn1nc(cc1C)CC(O)CCc2ccc(F)cc2 -MOL_01_018268,NCc(n1)cnc(c12)CC(CC2)c3nnc(Cl)nn3 -MOL_01_018269,NCCN(C1N)C(N)c2cccc(c2c13)c(cc3)CCc4ccc(CN)cc4 -MOL_01_018270,Cc1cccc(c1)CCC(O)CCC(O)Cc2ccc(Cl)cn2 -MOL_01_018271,CCCCC1=C(CCCC)C(=O)C(C1=O)c2ccc(C(=O)C)cc2 -MOL_01_018272,NC(N)Cc1ccc(cc1C(=C)O)C(CC(=O)C)CC(=O)Cc2ccc(Cl)cc2 -MOL_01_018273,Nc1cccc(N)c1CCCC(N)Cc2cccnc2 -MOL_01_018274,Cn1cnc(c1)CCCC(N)NC2CCN(CC2)C(N)CCc3cc(Cl)cc(Cl)c3 -MOL_01_018275,COc1ccccc1NC(N)CC2(CCCC2)CC(N)NC(C34)C5CC(C3)CC(C4)C5 -MOL_01_018276,CC1=C(C)C(O)C(C1O)c2c(C)cc(C)cc2C -MOL_01_018277,c1ccccc1-c2cc(C(C)C(=N)O)ccc2CC3CCCC3=N -MOL_01_018278,CNC(=O)c1ccc(cc1)CN2CCN(CC2)C(=NC3)CC3(C)C -MOL_01_018279,NCc1ccc(cc1)CN(C)CCN(CC23)CC(C2)CN(C3)Cc4ccc(CN)cc4F -MOL_01_018280,Cc1cccc(c1)NC(=O)CCc2nnc(C)n2Cc3ccccc3 -MOL_01_018281,c1ccccc1CCN(CC2(C)C)C(=N)C2CC(=N)Nc3ccccc3 -MOL_01_018282,c1ccccc1CC(N)Nc2cccc(c2)CCc3cncc(c3)C(N)N -MOL_01_018283,Cc1ccc(O)n1CC(O)CCC(O)CCc2ccc(Cl)cc2Cl -MOL_01_018284,CCCC(O)c1ccc(cc1)NC(O)CCCCCc2ccccn2 -MOL_01_018285,Clc1cc(Cl)ccc1CCC(=O)CCC(=O)NC2CCCC2 -MOL_01_018286,C=C(O)c1ccc(cc1C)CCC(O)CCc2cccnc2 -MOL_01_018287,CCC(CC)c1ncc(Cl)c(n1)C(N)CC2CCC(C)CC2 -MOL_01_018288,CCN1CCCC1CNC(C)c2c(C)ccc(C)c2CN -MOL_01_018289,NC(N)(N)c1cc(ccc1Cl)CC(C(=O)O)Cc2ccccc2 -MOL_01_018290,Cc1cccc(C)c1NC(N)CNCCCC(N)N2CCC(C)CC2 -MOL_01_018291,NCc1ncccc1CNC(=O)N2CCC(CC2)CN3CCCCC3 -MOL_01_018292,C=C(C)Nc1cccc(c1)C(=C)Nc2ccc(cc2)CNC3=NCCCCC3 -MOL_01_018293,NCc1ccc(cc1)CCCC(N)c2ccc(N)nc2 -MOL_01_018294,Cc1cn(C)c(CN)c1CCC(C)C(O)CC2CCCC2 -MOL_01_018295,Cc1cccc(N)c1CCCCCn2ccnc2 -MOL_01_018296,c1cccc(c12)CN(C2)C(=N)C3CC(CN3)NCc4ccccc4 -MOL_01_018297,CC(=O)C1CCC(CC1)C(=O)CCc(n2)nc(C)c(c23)cccc3 -MOL_01_018298,CCCC(N)c1ccc(cc1)NC(N)N2CCN(CC2)Cc3cccc(F)c3 -MOL_01_018299,NCc1cc(N)nc(n1)Cc2ccc(nn2)CNc3ccccc3 -MOL_01_018300,c1ccccc1C(=C)c2ccc(CN)c(c2C)NC(N)N -MOL_01_018301,Nc1nnc(nc1C)N2CCN(CC2)Cc3ccccc3 -MOL_01_018302,CC(C)CC(C(=O)C)CC(=O)Cc1cc(N)ccc1C -MOL_01_018303,C1NCc(c12)cc(C)c(c2)Cn3nnc(c34)cccc4 -MOL_01_018304,Cc1ccc(c(C)c1)Oc2coc(cc2=O)CCc3cccnc3 -MOL_01_018305,Clc1cc(Cl)cnc1CC(N)CCC(N)c2nc(Cl)ccc2Cl -MOL_01_018306,NCc1ccc(cc1CN)NC(=N)CCc2ccc(cc2)CNC3CCCCC3 -MOL_01_018307,c1ccccc1CCc2n(CN)c(nn2)C3CCCCC3 -MOL_01_018308,CC(C)(C)n1cc(CN)cc1CC(=O)CCCC2CCCC2 -MOL_01_018309,C1CC1C(=O)NC(N)Cc2ccc(cc2)CCc3cnc(nc3)NC4CCCC4 -MOL_01_018310,CCCC(=O)c1ccc(F)c(c1)CC(=O)c2cccnc2 -MOL_01_018311,CC(O)c1c(Cl)cccc1Cc2nc(CN)cc(n2)CN -MOL_01_018312,NCC(=O)c1cccc(c1)CCc2nccnc2Cc3cccc(c3)CN -MOL_01_018313,Cc1ccc(cn1)C(=O)Cc2ccc(cc2)CCC3=NCCCCC3 -MOL_01_018314,CCCNc1cccc(cc1=N)-c2ccc(cc2)N3CC(CC3=N)CNC(C)=N -MOL_01_018315,CCCCC(N)c1ccc(c(c1)CN)CC2CCCCC2 -MOL_01_018316,CN(C)c1nc(Cl)c(CN)cc1CN -MOL_01_018317,CCC(=C)NCc1ccc(CN)cc1-c2ccc(cc2)Cn3cncn3 -MOL_01_018318,CC(C)CNCc1cc(C)c(cc1)CCC(=O)NC2CC2 -MOL_01_018319,CNCC1CC(O)N(C1)c2ccn(C)c2 -MOL_01_018320,CCC(N)CCNC(N)c1cc(c(N)c(c12)cccc2)Cc3ccccc3 -MOL_01_018321,c1cccc(c12)cccc2CC(=O)CC(C(=O)O)Cc3ccccc3 -MOL_01_018322,C1CCCCC1(CN)NC(=C)CCC(=C)CCCNC2=NCc(c23)cccc3 -MOL_01_018323,c1cccc(c12)CC(C(=N)O)C(C2)C(=N)C(c3ccccc3)c4ccccc4 -MOL_01_018324,C=C1C=CC(C(F)(F)F)=CN1CC(=C)CCC(=C)Nc2cccc(c2)CN -MOL_01_018325,Cc1ccc(cc1)CCCC(N)N(CC)CC(N)Nc2c(F)cccc2F -MOL_01_018326,Cc1ccc(Cl)cc1NC(O)CCC(C)O -MOL_01_018327,Cc1ccc(cc1C)NC(=N)CC(C)(C)NCC(=N)N2CCCC2CN -MOL_01_018328,C1CCCCN1c2cc(N)cc(c2)-c3cccc(c3)-c4cccc(O)c4 -MOL_01_018329,C1CCCC1c2nc(C)c(cn2)C(=N)Cc3ccccc3 -MOL_01_018330,CCC(=O)CC(CC)c1cc(C(N)(N)N)ccc1Cl -MOL_01_018331,CCCC(O)C(CC1)CCC12c3c(C(C2)O)cccc3 -MOL_01_018332,NCc1ccc(cc1Cl)NC(O)CCC(O)c2cnccn2 -MOL_01_018333,Cc1ccc(c(n1)C)-c2ccc(N)c(N)c2 -MOL_01_018334,CCC(CC)C(N)c1ccc(cc1)CC(N)c2cccc(N)c2 -MOL_01_018335,Cc(c1)ccc(n12)nnc(C)c2=N -MOL_01_018336,CC(=O)Nc1ccc(cc1)CNCCC(=O)Nc2ccc(CN)c(Cl)c2 -MOL_01_018337,Cc1nc(C)c(C(N)(N)N)c(n1)CCc2ccccc2 -MOL_01_018338,Nc1cc(N)ccc1NC(=C)c2ccc(cc2)NCc(c3)ccc(c34)CCC4 -MOL_01_018339,NC(N)(N)C(=C)c1ccn(c1)C(C)CCC -MOL_01_018340,c1cnccc1CN(CC)CC2(O)CCN(C2)C(N)c3cccc(C)c3 -MOL_01_018341,CCc1c(C)cccc1C(=O)CCNCCC(=O)c2ccc(C)nc2 -MOL_01_018342,C1CC(O)C(=C)c(c12)cc(N)cc2N -MOL_01_018343,NCC(N)CCCCNC(=O)CCn1cccc(c1=O)CCc2ccccc2 -MOL_01_018344,C=C(O)c1cnc(n1C)CCc2ccnc(c2)CC -MOL_01_018345,NCc(c1)ccc(c12)CC(N)CC=C2c3ccccc3 -MOL_01_018346,c1ccccc1Cc2cc(N)nc(n2)CCc3ccccn3 -MOL_01_018347,c1cccc(c12)cccc2CN(C)C(N)CCN3CCCC(N)C3 -MOL_01_018348,Cc1ncc(c(n1)C)Cc2cc(Cl)c(CN)cc2C(N)N -MOL_01_018349,c1cccc(c12)c(=N)n(nn2)CCCCCn3ccnc3 -MOL_01_018350,CC1CCCc(c12)cc(cc2)CCC(N)c3cnc(N)cn3 -MOL_01_018351,CC(=O)c1cccc(c1)C(=O)Cc2cc(C(=O)C)ccc2C3CCCCC3 -MOL_01_018352,Nc1cccc(c1)CC(C(N)CCC2)c(c23)cccc3 -MOL_01_018353,C1CCCCN1c2nc(NCC(C)C)nc(n2)Cc3ccc(nn3)CCC(C)N -MOL_01_018354,Cc1ccc(nc1)NC(O)c2cccc(Cl)c2 -MOL_01_018355,CCCCCCCCCNC(C1N)=CC(N)c(c12)cccc2 -MOL_01_018356,CC(O)c1ccc(cc1)CCCNCc2ccc(cc2)-n3ccnc3 -MOL_01_018357,NCc1ccc(cc1)C(=O)C2CCC(CC2)c3ccccn3 -MOL_01_018358,c1cccc(c12)CN(C2)C(N)NCCCCC3CCN(CC3)C(N)c4ccccc4 -MOL_01_018359,CC(O)C(C)Cc1ccc(cc1)Cc(n2)cnc(c23)ccc(Cl)c3 -MOL_01_018360,Cn1cnc(c12)CC(CC2)CCCCc3ccc(CN)cc3 -MOL_01_018361,CCCC(C)C1(CC)C(=O)CC(=NC1=O)Cc2ccc(F)cc2 -MOL_01_018362,CCC(N)c1cccc(c1)CC(N)OCc2cccc(c23)cccc3 -MOL_01_018363,CCc1nccc(n1)C2CCC(CC2)c3nc(Cl)nc(Cl)n3 -MOL_01_018364,CC(C)(C)C(C)NC(O)c1ccc(cn1)CCc2ccc(F)cn2 -MOL_01_018365,CC1CCC(CC1)CC(=O)c2nc(C(CN)CN)ncc2Cl -MOL_01_018366,NCc1cn(cn1)CC2CCCN(C2)C(=O)CC3=CCCCC3 -MOL_01_018367,Cc1ccc(C)c(c1)NC(N)CN(C)C(N)C2CCCC2 -MOL_01_018368,NCCCCC(O)CN(CCCC)C(O)Cn1ccc(c12)cccc2 -MOL_01_018369,Cc(n1)nc(C)c(c12)N=C(CC2)CCCCCCCCN -MOL_01_018370,NC(N)(N)C(C)(C)C(=O)Cc1ccccc1N -MOL_01_018371,NCN1CC(CC1)c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_018372,C1CCCN1CC(c2ccccc2)N(C)C(O)Cc3cccc(c3)CN -MOL_01_018373,c1cccc(c12)ccc(c2)C(=N)N(c3ccnc(N)c3)Cc4ccc(F)cc4 -MOL_01_018374,C1CCCCN1c2nc(NCC(C)C)nc(n2)Cc3ccc(nn3)CCC(N)O -MOL_01_018375,NCc1ccc(cc1)CCC(=O)CCC(=O)NC2CCCC2 -MOL_01_018376,CCC(O)N(C1O)Cc(cccc2)c2c(c13)cccc3 -MOL_01_018377,Cc1ccc(c(C)c1)CN(C)C(=O)CCC(=O)C(CC23)CC(C2=O)CCC3 -MOL_01_018378,C1CC1C(=N)Cc2ccc(N)cc2N -MOL_01_018379,COC(=N)NC(C)Cc1ccc(cc1)CCc2cnc(nc2)N3CCCCC3 -MOL_01_018380,OCC(=N)CC(C)c1ccc(cc1)C2CC(C2)c3ccc(cc3)OCC4CC4 -MOL_01_018381,CCc1ccc(cc1)CCC(C2N)C(N)c(c23)cccc3 -MOL_01_018382,CCNCCCC(CC(C)C)C1(CCC1)c2ccc(N)c(N)c2 -MOL_01_018383,Cn1cccc1C(=O)C(C)Cc2cccc(N)c2 -MOL_01_018384,CCOCCCNC(=O)C1CCC(CC1)CNCc2ccc(cc2)NC(=O)C -MOL_01_018385,C=C(N)c1cccc(c1)-c(c2)cc(N)c(c23)cc(C)cc3 -MOL_01_018386,CCc1ccc(cc1)CC(=O)NCc2nnc(n2C)CCCCc3ccccc3 -MOL_01_018387,CC1(C)C(C)C(=N)C(C1)c2ccc(cn2)CCc3cccnc3 -MOL_01_018388,CCCc1ccc(cc1CN)C(C(C)N)CN2CCCCC2 -MOL_01_018389,CC(N)NC(C)(C)c1ccc(cc1)CCc2ccnc(c2)OC(C)C -MOL_01_018390,CC(C)(C)NC(O)c1ccccc1NC(O)C2CCCC2 -MOL_01_018391,NC(N)(N)c(c1)ccc(c12)C=3C(C2)CCCC3 -MOL_01_018392,c1ccccc1CN(CC)CCNC(N)c2cc(Cl)c(N)cc2CN -MOL_01_018393,CC1=NN(C)N=C(N12)C(O)CC(C2)(C)CCCC(C)C -MOL_01_018394,CC(C)(C1)C=Cc(c12)cc(cc2)CN(c3ccccc3)Cc4ccc(CN)c(c4)CN -MOL_01_018395,C1CCCC(=N)C1(C)c2ccccc2N -MOL_01_018396,c1cccc(c12)N(C(=N)CC(N2)=N)C3CCN(CC3)C4CCCCCCC4 -MOL_01_018397,CC1CCCN1C(N)c2cc(cc(CN)c(c3)CN)c3c(c24)cc(CN)c(c4)CN -MOL_01_018398,c1cccc(c12)NC(N(N)N)NC2c3ccccc3 -MOL_01_018399,C=NC(N)CCCCCCCNC(N)c(c1)ccc(c12)cccc2 -MOL_01_018400,Clc1ccc(cc1)NC(=O)CC2CC(=NC2=O)N3CCCCC3 -MOL_01_018401,Clc1ccc(cc1)C(N)CC(N)C2CCC(CC2)c3ccccc3 -MOL_01_018402,CCC(=O)c1ccc(c(C)c1)CC(=O)CCc2ccncc2 -MOL_01_018403,N1NC1C(=O)C2CCC(CC2)Cc3c(Cl)cc(Cl)cc3Cl -MOL_01_018404,CCCC(O)CNC(O)c1c(C)nn(C)c1F -MOL_01_018405,C1CCCC1(CCC)C(N)c2ccc(N)c(N)c2 -MOL_01_018406,Cc1c(O)nc(CC(C)C)nc1Cc2ccccc2 -MOL_01_018407,c1cnccc1-c2ccc(N)c(c2)NC(O)C3CCCCC3 -MOL_01_018408,Cc1cc(CN)c(cc1Cl)C(O)CC2CCCCC2 -MOL_01_018409,C1CCc(c12)c(N)cc(C(=O)C)c2C -MOL_01_018410,NC(O)CCc1cccc(c1)Cc(n2)cnc(c23)cccc3 -MOL_01_018411,NCc1cccc(Cl)c1NCCCC2=NC(=O)N=N2 -MOL_01_018412,c1cccc(c12)c(nnc2N)C(N)NCCCN3CCCCC3 -MOL_01_018413,c1ccccc1CNC(N)Cc2ccccc2C(N)Nc3ccccc3 -MOL_01_018414,C1NCN=C1NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3 -MOL_01_018415,Cc1ccc(Cl)cc1NC(O)c2cc(Cl)ccc2CN -MOL_01_018416,CCCCCC(=O)C(C)NC(=O)C(N)CC(=O)C -MOL_01_018417,C=C(O)c1cccc(c1C)C(C2O)C(O)c(c23)cccc3 -MOL_01_018418,C1CCCC(=N)C1(CC)c2ccccc2N -MOL_01_018419,CC(C)C(N)c1ccc(cc1)CCc2c(Cl)cccc2CN -MOL_01_018420,Cc1cc(ccn1)NC(=O)c2cc(ccn2)Cc3cccnc3 -MOL_01_018421,Cc1cccc(C)c1Cc2nc(CNC(N)N)nc(C)c2N -MOL_01_018422,Cc1ccc(Cl)cc1NC(O)Cc2cccc(c2)NC(C)O -MOL_01_018423,c1ccccc1C(=N)NC(=N)NC2CCN(CC2)CCc3ccccc3 -MOL_01_018424,Cc1c(C)ccc(c12)C(O)N(C2O)Cc3ccc(Cl)c(F)c3 -MOL_01_018425,c1cccc(c12)CC(CC2=N)c3c(N)cccc3N -MOL_01_018426,c1cccc(c12)cccc2Cc3cc(N)nc(n3)CC4CCCC4 -MOL_01_018427,Nc1ccc(cc1)C(=N)c(n2)ccc(c23)cccc3 -MOL_01_018428,Cc1ncnc(n12)nc3c2cccc3 -MOL_01_018429,C1CCCC1CCc2nc(N)c(cn2)C(Cl)NCCCN3CCCC3Cl -MOL_01_018430,CCCN(CCC)C(C)CCc(c1CN)cc(CN)c(c12)cccc2 -MOL_01_018431,Cc1ccc(cc1)CCC(=N)c2cnc(nc2C)C3CCCC3 -MOL_01_018432,CC(C)(C)C(N)Oc(c1)ccc(c12)c(N)cc(c2)-c3ccccc3 -MOL_01_018433,N=C(O)C1CCC(=N)N1Cc2cccc(c23)cccc3 -MOL_01_018434,Cc1nc(C)c(c(n1)C)CCC(C)c2cc(CN)c(CN)c(c2)CN -MOL_01_018435,Clc1cc(cc(Cl)c1)N(C(C)(C)C)CC2=CC(=O)N=N2 -MOL_01_018436,CCc1ccccc1C(O)CCC(O)Cn2c(C)ccc2O -MOL_01_018437,Oc1ccc(cc1C)C(=O)c2ccc(cc2)CN(N)Cc3cccc(O)c3 -MOL_01_018438,CCC(=O)N1C(C)=CC=C(N1C(=O)CC)Cc2ccccc2 -MOL_01_018439,Cc1ccnc(n1)C2CCC(C2)CCCOc3ccccc3N -MOL_01_018440,COc1ccc(cc1)C(N)Cc2ccc(cn2)CC(N)c3ccccn3 -MOL_01_018441,C=CC(=O)C(C)(CC)CCc1ccc(cc1)-c2cccc(c2)CN -MOL_01_018442,C=C(N)c1ccc(n1C)CC(C)(CCN)CCN -MOL_01_018443,CCCCCC(=N)Nc1cccc(c1)C(=N)CCC -MOL_01_018444,CC(=O)CCC(=O)c1ccc(c(N)c1)C2CCCCC2 -MOL_01_018445,Cc1cnn(c1)CC2CCCC2C(=N)Cc(c3)ccc(c34)CCC4 -MOL_01_018446,Cc1ccccc1CNC(Cc2ccccc2)C(=N)OCC(=N)NC3CCCCC3 -MOL_01_018447,Nc1cc(N)n(n1)CCC(O)N2CCC(CC2)Cc3ccccc3 -MOL_01_018448,c1ccccc1CCC2(C(=O)CCC)CCN(CC2)C(=O)CCn3ccnc3 -MOL_01_018449,NCc1ccc(cc1)OC(=O)c2cn(cn2)COc3ccccc3 -MOL_01_018450,c1ccccc1C(N)COC(N)c2ccccc2Nc3ccccc3F -MOL_01_018451,Cc1c(C)ccc(c12)C(O)N(C2O)Cc3cccc(Cl)c3F -MOL_01_018452,CCCCCCCCNc1cncc(n1)C(=N)NCc2ccccc2 -MOL_01_018453,CCCCCNC(=O)CCNC(=O)C(C)C(C)(CC)Cc1ccccc1 -MOL_01_018454,Clc1ccccc1NC(=C)NCCNCC(C)CCc2ccccc2CN -MOL_01_018455,Nc1ccc(cc1)C(=C)Nc2cccc(c2)C(N)Nc3cncc(n3)C -MOL_01_018456,NCc(cc1)cc(c12)C(C(C)C(C2)(C)C)CC(=O)CCc3ccccc3 -MOL_01_018457,Cc1c(Cl)cnc(c1Cl)NC(=O)CCC(=O)C2CC2 -MOL_01_018458,c1ccccc1CCC(N)N(C)CC(N)Nc2ccc(F)cc2 -MOL_01_018459,c1ccccc1CNc2nc(N(C)C)nc(n2)CCC(O)Nc3ccccc3Cl -MOL_01_018460,CC(=N)NCC1CCN(CC1)C(=N)C2CCC(=N)N(C2)CCc3cccc(Cl)c3 -MOL_01_018461,FN(F)Cc1cc(ccc1)C(N)Nc2ccccc2N3CCCCC3 -MOL_01_018462,C=C(O)c1cc(cc(C(F)(F)F)c1)C(O)CC(C)c2ccccc2 -MOL_01_018463,FC(F)(F)NOc1ccnc(n1)Cc2ccc(cc2)N3CCCNO3 -MOL_01_018464,Nc1cc(N)nc(n1)NC(=O)NC(=O)c2ccccc2 -MOL_01_018465,Cc1ccc(cc1)NCc2ccc(Cl)c(c2)C(=N)Nc3cccc(c3)C(=N)O -MOL_01_018466,CCN(CC)C(N)Cc1ccc(cc1)C(C)(C)c2ccc(cc2)N(C)C(C)N -MOL_01_018467,NCc1ccccc1CCC(O)Nc2ccccn2 -MOL_01_018468,NC(O)c1ccccc1C(N)C(c2ccccc2)c3ccccc3 -MOL_01_018469,Cc1ccc(cc1CN)CCC(C)CC(=O)CCc2ccccc2 -MOL_01_018470,NC(O)CCCCc1ccc(cc1)-c2ccccc2CC(F)(F)F -MOL_01_018471,C=C(N)Nc1ccc(CN)c(c1)NC(=C)Nc2cnc(cn2)CN -MOL_01_018472,NCc1ccc(CN)c(c1)CNCCc2cc(F)cc(c23)CCCC3 -MOL_01_018473,C=C(O)c1cc(C(O)CC)ccc1CCC(O)CCc2ccccc2 -MOL_01_018474,Cc1cc(CN)c(cc1Cl)C(O)CC(CC23)CC(C2)CC3 -MOL_01_018475,CC(=O)NCCCc1ccc(cc1)Cc2ccc(cn2)CC3CCCC3 -MOL_01_018476,C=C(N)c(c1)ccc(c12)C(=C)N(N=N2)CC -MOL_01_018477,Clc1ccc(cc1)CCCNc2cc(NNC(=C)C)c(cc2)NNc3cccnc3 -MOL_01_018478,CC(C)(C)CC(=O)C(C)CC(=O)c1ccc(Cl)nc1 -MOL_01_018479,CCCCCC(=N)c1ccc(cc1)OCCCN2CCN(CC2)C(=N)C3CCC3 -MOL_01_018480,CC(=O)c1cccc(c1)C(=O)Cc2cc(C(=O)C)ccc2CCC3CC3 -MOL_01_018481,NCc1ccc(cc1)CCC(C2N)C(N)c(c23)cccc3 -MOL_01_018482,Clc1ccc(cc1C)NC(O)C(O)NCC(C)(C)N2CCCCC2 -MOL_01_018483,CC(=O)c1ccc(cc1)CC(=O)Cc2ncccc2CCc3ccccc3 -MOL_01_018484,CC(O)N1CCC(CC1)N(C2CCCC2)C(O)Nc3ccccc3CN -MOL_01_018485,Nc1noc(N)c1C(c2ccccc2)Cc3ccccc3 -MOL_01_018486,CCCCCc1ccc(C(C)O)cc1Cc2c(C)nc(C)nc2C -MOL_01_018487,Cc1cccc(c1)CCc2cccc(c2)CCC3=C(O)C(N)C=C(O)C3N -MOL_01_018488,CC(O)c1c(C)c(C)nc(n1)Cc2ccccc2 -MOL_01_018489,CC(C)c1ncc(cn1)CN2CCCC(C2)C(N)Nc3ccccc3 -MOL_01_018490,CCc1ccc(cc1CC)C2C(O)CCCC2O -MOL_01_018491,CC(O)c1nc(Cl)c(nc1C)CCC(O)CCc2ccccc2 -MOL_01_018492,Nc1cc(N)c(cc1N)CC2CCCCC2 -MOL_01_018493,FC(F)(F)C(C)(C)C(N)Cc1ccc(cc1F)C(N)c2ccccc2 -MOL_01_018494,Nc1ccccc1Cc2cccc(N)c2CC3CCC3 -MOL_01_018495,Cc1cccc(c1)NC(=N)C(n2cccc2)Cc3ccccc3 -MOL_01_018496,CC(=O)c1cccc(c1)NCc2cc(ON)ccc2ON -MOL_01_018497,Nc1ccc(cc1N)CC(N)CC2CCCCC2 -MOL_01_018498,NCc1ccc(cc1)CNC(C2O)=CC(O)c(c23)cccc3 -MOL_01_018499,CCCC(=O)CCc(n1)nnc(c12)n(C)c(n2)C -MOL_01_018500,CCCC(=O)CC(C(C)C(C)(C)C1)c(c12)cc(cc2)CN -MOL_01_018501,CCC(C)Cc1ccc(F)c(c1F)C(=O)N -MOL_01_018502,Fc1cc(ccc1)NC(=N)N(CC2)CCC23CCN(CC3)C(=N)c4ccncc4 -MOL_01_018503,C1CCC(N)=NC1(C)c2ccc(ON)cc2 -MOL_01_018504,Fc1ccccc1CCC(O)NCCCNC(O)c2ccccn2 -MOL_01_018505,Fc1ccccc1NC(=N)c2ccc(cc2)NC(=N)N(C3)Cc(c34)cccc4 -MOL_01_018506,Cc1c(C)ncc(c1CC)CCC(=O)CCC(=O)CCCC(C)C -MOL_01_018507,Cc1ccc(CN)cc1NC(=N)C(c2ccccc2)c3ccccc3 -MOL_01_018508,Cc1ccccc1C(N)NC(C)(C)C(N)c2ccccc2 -MOL_01_018509,C=C(C)c1ccc(N)cc1C(O)CC2CC2 -MOL_01_018510,C1CCCCC1C(O)CCc2n(CC)c(nn2)CC(O)Cc3ccc(C)cc3 -MOL_01_018511,CC1CCC(CC1)Cc2cnc(n23)nnc(n3)Cl -MOL_01_018512,CCc1ccc(cc1CC)CCNC(=O)Cc2cc(C)nc(n2)C -MOL_01_018513,c1ccccc1C(C)(c2ccc(Cl)cc2)c3ccccc3C(=N)N -MOL_01_018514,c1ccn(c12)c(cc(n2)N)NCc3ccncc3 -MOL_01_018515,C1CC1CC(C2C)C(=O)COC23CCC(CC3)C(=O)c4ccncc4 -MOL_01_018516,c1ccccc1C2(CC2)C(=N)C(CCOC)CC(=N)Cc3cccc(C)c3C -MOL_01_018517,NCc1ccc(cc1)CCNC2CC(=C)N(C2=C)CCc3ccccc3 -MOL_01_018518,CC(C12)C(CC1)CC(C2)Cc3cccc(c3)C(=O)N -MOL_01_018519,CC(=O)NC(C)Cc1ccc(cc1)CCc2ccc(CN)cc2Cl -MOL_01_018520,CCNc1ccc(cc1)C(N)(N)CCC(C)C2CCCCC2 -MOL_01_018521,NOc1ccc(c(c1)ON)NC(N)C(c2ccccc2)c3ccccc3 -MOL_01_018522,Fc1c(F)c(F)c(F)c(F)c1Cc2nc(NCCCN)nc(n2)NCc3cccc(F)c3 -MOL_01_018523,CC(C)CCc1cc(N)nc(n1)CCc2ccccc2 -MOL_01_018524,n1ccnc(c12)C(=O)C(C2=O)Cc3ccc(Cl)cc3 -MOL_01_018525,C1CCc(c12)ccc(c2)NC(O)CCC(O)c3ccncc3 -MOL_01_018526,CC1(C)CC(CC(C)(C)N1)NC(N)Cc2ccccc2 -MOL_01_018527,NOc1ccc(cc1)CCCc2nnc(o2)CCC(=O)Nc3ccc(ON)cc3 -MOL_01_018528,CCc1ccc(c(c1)CC)CCCc2nc(C)ncc2CN -MOL_01_018529,NCc1ccc(cc1)C2(CN)C=CC(CC2)(C3CCC3)C4CCC4 -MOL_01_018530,CCc1ccc(cc1)C(=N)NCC(=N)Nc2ccc(cc2)-c3ccccc3 -MOL_01_018531,CCCc1ccc(N)cc1CCCCCn2ccnc2 -MOL_01_018532,CCCC(=O)C(C(F)(F)F)(CCC)NC(=O)NCc1ccccc1CN -MOL_01_018533,C1CCCC1CNC(O)c2cccc(c2)CNc3ccccc3Cl -MOL_01_018534,CCCc1c(CN)ncn1Cc2cc(Cl)cc(Cl)c2 -MOL_01_018535,Cc1cccc(c1)Cc2nc(ncc2CN)-c3ccccc3 -MOL_01_018536,C=C(N)c1ccc(CN)c(c12)nc3c(n2)cccc3 -MOL_01_018537,Cc1ccccc1OC(N)C(=O)NCc(c2)ccc(c23)ONO3 -MOL_01_018538,NCC(O)Cc1ccc(cc1)CCc2ccc(Cl)nc2 -MOL_01_018539,CCCc1ccc(cc1CCC)C(O)N2CCN(CC2)CC(O)N3CCCC3 -MOL_01_018540,c1ncnn1C(C(C)C(N)(N)N)Cc2ccc(Cl)cc2 -MOL_01_018541,c1cccc(c12)C(N)N(C2N)CCCCCCCCN3CCN(CC3)Cc4ccccc4 -MOL_01_018542,Cc1ccc(CN)c(c1)NC(=O)Cn2cnnn2 -MOL_01_018543,CCN(CC)CCNc1nccc(n1)CCc2ccc(Cl)cc2Cl -MOL_01_018544,Cc1cccc(c1C)CC2CCN(CC2)C(=O)NCCn3ccnc3 -MOL_01_018545,NC(O)c1cccnc1Cc2ccc(F)cc2F -MOL_01_018546,C=NC(=O)c1ccc(CC(C)C)c(c1)CC(=O)c2ccccc2 -MOL_01_018547,c1ccccc1Cn2cnc(c2)CN(C)C3CCN(C3)Cc4cn(cn4)Cc5ccccc5 -MOL_01_018548,CC(N)NCCc1cc(F)cc(c12)ccc(c2)CN -MOL_01_018549,NCCC1CCC(C1)CCc2cc(F)ccc2CN -MOL_01_018550,CCCC(O)C1CCC(CC1)C2=C(O)C(O)=C2CCc3ccccn3 -MOL_01_018551,CC(C)c1ccc(n1CC)CCC(N)c2ccc(N)cc2 -MOL_01_018552,C=C(O)c1nc(nnc1C)C(=O)CCC(=O)C2CCCCC2 -MOL_01_018553,CC1NCN(CN1)c2ccc(C)cc2C(=N)c3cc(C)c(C)c(C)c3 -MOL_01_018554,c1cccc(c12)CCC(C2)CN(C)C(=O)NCCCn3cncn3 -MOL_01_018555,CNC(=O)CCC(=O)c1ccccc1Nc2ccccc2 -MOL_01_018556,OCc(c1C)c(CC)c(C)c(c12)CC(CC2O)c3ccccc3 -MOL_01_018557,CC(=O)c1ccc(c(c1)CN)CNc2ccc(C(=O)C)c(C)c2 -MOL_01_018558,NC(=O)NC(N)Cc1ccc(cc1)CCc2ccc(cc2)C(=O)NCc3ccccc3 -MOL_01_018559,N=C(O)C(N)CC(C(=N)O)CCCC(c1ccccc1)c2ccccc2 -MOL_01_018560,c1ccccc1N(C)Cc2ccc(cc2)C(=O)NCc3ccccn3 -MOL_01_018561,Cn1cccc1CC(O)CC(O)c2c(Cl)cccc2Cl -MOL_01_018562,CCc1ccc(nc1)CCCc(c2)ccc(c23)cc(c(c3)O)C(C)O -MOL_01_018563,Clc1ccc(cc1)CNC(N)C2CCN(CC2)CN3CCCCC3 -MOL_01_018564,NCCc1ccc(cc1)-n(c(n2)C)c(c23)c4c(cc3C)ccc(c4)-c5ccncc5 -MOL_01_018565,NCC(=C)c(c1)ccc(n12)nc(c2)-c(c3)ccc(c34)CNC4 -MOL_01_018566,Cc1cc(C)c(c(C)c1)-n2c(nc(c23)cncc3)CCC(=O)Nc4ccccc4F -MOL_01_018567,CC(=N)CNc(ccc1)c(n12)c(C(=N)C(=N)N)c(CC)c2Cc3ccccc3-c4ccccc4 -MOL_01_018568,CCc1ccccc1-n2c(CCC(=N)N3CCCC3)nnc2-c4ccccn4 -MOL_01_018569,CCC1(CC)C(N)C(CC)=C(N)c(c12)c(N)cc(n2)-c3ccc(cc3)CC(C)C -MOL_01_018570,Cc1cc(C)cc(c1)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_018571,CN(C)c1ccnc(c12)cc3c2nc(N)n(c3N)-c4ccc(CN)cc4 -MOL_01_018572,n1cncc(c12)c(ccc2C(=C)N)NC3CNCC3C(=C)Nc4cccc(C)c4 -MOL_01_018573,NCc1ccc(cc1CN)CCNC(=C)C(=C)c2cn(c(c23)cccc3)CC(=C)N4CCCCC4 -MOL_01_018574,CC(O1)CNc(c12)c3c(nc2)cc4c3ncn(c4O)-c5ccc(ON)cc5 -MOL_01_018575,CCCc1cc(N)nc2c(c3c(c4c12)C=CC(N4)(C)C)C(N)CC(N3)CN(C)C -MOL_01_018576,C1CCCN1C(=O)CCc2n(-c3c(C)c(C)ccc3)c(nn2)-c4ccccn4 -MOL_01_018577,C1CCCN1C(N)CCc2n(-c3c(C)c(C)ccc3)c(nn2)-c4ccccn4 -MOL_01_018578,c1cccc(c12)cccc2Cn(cn3)c(N)c(c34)c5c(c4)CC(CC5)NCc6ccccn6 -MOL_01_018579,CCCCCCCC(C)(N1)CC(N)c(c12)ccc(c2)N -MOL_01_018580,CC(C)(C)c1ccc(cc1)CC2CCN(C2)c3ncnc(c34)cc(CN)c(c4)CN -MOL_01_018581,CCN(CC)CCN1C(=C)c(c2c(c13)cc(CN)c(c3)CN)c4c(nc2)cc5c(c4)CNC5 -MOL_01_018582,CN(C)CCCN1C(=C)c(c2c(c13)cc(CN)c(c3)CN)c4c(nc2)cc5c(c4)CCC5 -MOL_01_018583,CNc1ccc(NC)c(c12)c(C)cc(n2)-c(cc3NC)cc(c34)CN(CCN4)Cc5cn(C)nc5C -MOL_01_018584,NCc(c1)c(CN)cc(c12)c3c(C(=C)N2CCN(C)C)c4c(nc3)cc5c(c4)CNC5 -MOL_01_018585,c1cccc(c12)CCN2C(=N)CCc(nc(c34)CCC4)n(c3=N)-c5cc(CN)ccc5CN -MOL_01_018586,C=C(C)c(c1C)nnc(n12)c(c(n2)C)NNC3=C(C)N(C)N(C3=C)c4ccccc4 -MOL_01_018587,Cc1ccnc(c1)C23N(CCC2)C(=O)c4c3nccc4 -MOL_01_018588,CCOc1ccc(cc1)-n(c2O)c(CCCN)nc(c23)cc4c3CCCC4 -MOL_01_018589,CC(C)(C)c(n1)ccn(c12)c(cn2)-c3ccnc(c3)CN -MOL_01_018590,N1CNc(c12)c3c(cc2)C(C)(NC3NC)c4nccc(c45)cc6c(c5)NCN6 -MOL_01_018591,CCOC(O)N1CCC(CC1)NC(O)c(c2C)cc(c23)nc4n(c3O)CCCC4 -MOL_01_018592,COc1ccc(cc1)NC(=O)C(C=2C)=CC(C23)=NC(=NC3=O)c(c(=O)o4)cc(c45)cccc5OC -MOL_01_018593,CCc1c(C)cc(c12)nc(CCCN)n(c2O)-c(c3)ccc(c34)CNC4 -MOL_01_018594,COc(c1)ccc(c12)N=c3c2nc(=C)n(c3=O)Cc4ccc(cc4)C(=O)NCCCC -MOL_01_018595,CCc1ccc(cc1)-n(c2C)cnc(c23)c4c(c3)nccc4NC5CC5 -MOL_01_018596,Cc1ccc(cc1)-n(c2O)c(CCCN)nc(c23)cc4c3CCCC4 -MOL_01_018597,CNC(=N)CN(C1=N)c(cccc2)c2C13CCN(CC3)Cc4ccc(cc4)-c5ccccc5 -MOL_01_018598,CCCc(c1C)cc(c12)nc(CCCN)n(c2N)-c3ccc(CN)cc3 -MOL_01_018599,CCN(CC)CC(=O)NC(N=1)=Cc(c12)c(Cl)c=3c(c2CN)N=C(C3)NC(=O)CN(CC)CC -MOL_01_018600,C=1N=CC(C12)=c3c(=NC2=N)c(C)cc(N)c3-c4ccc(c(F)c4)C(C)CN(C)C -MOL_01_018601,NCC(N)CCc(ccc1)c(n12)c(C(N)C(N)N)c(CC)c2Cc3cccc(c3)-c4ccccc4 -MOL_01_018602,NCc1cnc(C)c(c12)Nc3c(C2)c(nc(n3)-c4cc(NC)ccc4)CCC(N)N5CCNCC5 -MOL_01_018603,Fc1cnccc1Nc(n(CC)c2O)nc(c23)c(cc3)C4CCCN(C4)C(O)C(C)(C)CO -MOL_01_018604,CCc1c(C)cc(c12)nc3n(c2O)c(CC)nn3CCN4CCOCC4 -MOL_01_018605,C=1C=CC(C12)=c3c(=NC2=O)c(C)cc(O)c3-c4ccc(c(F)c4)C(CN)C(C)C -MOL_01_018606,NCc(c1)ccc(c12)C(=C)N(c(cc3C)ccc3)C(=N2)CCn(c4=C)c(=C)c(c45)cccc5CN -MOL_01_018607,CNc(c1)c(NC)cc(C(N2)=N)c1C23Nc4c(C3=N)ccc(c4)C(C)C -MOL_01_018608,C1CCCC(C1=2)=c3c(C2)nc(\n(c3=O)-c4ccc(cc4)OC)=C/C(=O)c5ccccc5 -MOL_01_018609,c1ccccc1-c(nn2C)c(c23)C(C(=C(C3)N)CN)c(c4)ccc(c45)CCCC5 -MOL_01_018610,CCCC(N)c(n1)nc(c(c12)cccc2)Nc3cc(Cl)ccc3CN -MOL_01_018611,NCc1cccc(c1)CNC(C2)CCc(c23)c4c(c3)ncn(c4N)Cc5ccccc5CN -MOL_01_018612,NCc1cccc(c12)nc(Cl)nc2NCC(N)(N)c3ccccc3 -MOL_01_018613,CC(=N)CCCN(C1=N)c(ccc(F)c2)c2C13CC(=N)N(C3=N)Cc4ccccc4 -MOL_01_018614,CCOC(O)c(c1C)cc(c12)nc(n(c2O)Cc3ccccc3)CCC(O)NCc4ccco4 -MOL_01_018615,NCc(cc1)ccc1Nc(ncn2)c(C3c(cc4CN)ccc4CN)c2CC(=C35)CCCC5=C -MOL_01_018616,Cc1cccc(c1)CCNC(N)c(c2C)cc(c23)nc4n(c3N)CCCC4 -MOL_01_018617,c1ccnc(c12)NCC(N2)CNc(nc3=N)cc(n34)c5c(CC4)cc(cc5)/C=C/C6(N)CCCCC6 -MOL_01_018618,ClCCCNC(=C)Cn1c(NCCCCl)nc(c12)N(C)C(=C)N(C)C2=C -MOL_01_018619,Fc1ccc(cc1)C(O)N(CCCN)C(CC)c(nc(c23)ccc3)n(c2O)Cc4ccccc4 -MOL_01_018620,CNCC1CN(CCN1)C(N)c2c(n(c(c23)cccn3)-c4ccccc4)Nc5c(C)cccc5C -MOL_01_018621,NCc1ccc(CN)cc1NC(C)Cn2cc(c(c23)cccc3)C(C)c4ccccc4F -MOL_01_018622,CC(N)NCCNC(C1)CCc(c12)c3c(c2)ncn(c3N)Cc(c4)ccc(c45)cccc5 -MOL_01_018623,NCc1cc(ccc1)C(=C)C2=C(C)C(=C)N(c3ccccn3)C2c4ccccc4CN -MOL_01_018624,CN(C1)CCc(c12)c3c(c2)ncn(c3C)CCN4CCN(CC4)c5ccccc5CN -MOL_01_018625,FC(F)(F)C(O)(C(F)(F)F)c1cc(c2c(c13)CNC3)c4c(cc(cc4)CN)c(=N)n2CCCC -MOL_01_018626,OC1CN(CC1)c2cc(OC)c(cc2)-c(n3)nc(c34)c(C)nn(c4O)C5CCCCC5 -MOL_01_018627,NCc(n1)c(CN)cc(n12)c3c(cc2N)nc4c3cccc4 -MOL_01_018628,CN(C)c1ccnc(c12)cc3c2ncn(c3N)-c4ccc(Cl)cc4 -MOL_01_018629,C1CC1NC(=C)CN2C(=C)C(C(=C)NC)=C(C)c(c23)ncc(c3)Cc4ccc(F)cc4 -MOL_01_018630,COCCCn1c(O)c(ccc2)c2n(c13)c(nn3)CCCC(O)NCc4ccc(F)cc4 -MOL_01_018631,COc1ccc(cc1OC)CCNC(O)CCCc2nnc(n23)n(C)c(O)c4c3ccc4 -MOL_01_018632,NCCc1ccc(cc1)N(C(N=2)=N)C(C23)=c4c(=CC3=N)ccc(c4)-c5cccnc5 -MOL_01_018633,CCCC(O)c(c1C)cc(c12)nc(CCCN)n(c2O)CCCN3CCCC3O -MOL_01_018634,CC(C)(C)CC(=N)n1cc(c(c12)ccc(C)c2)C(=N)C3CC=C(N3)c4cccnc4 -MOL_01_018635,CCNC(=O)c1cc(ccc1F)NC(C)(C)C(=O)NC(C=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=N4 -MOL_01_018636,CN(C)C1CN(C1)c(c2)c(C)cc(c23)c(O)c4c(n3C5CC5)cnc4O -MOL_01_018637,NC1CN(CC1)c(c2)c(C)cc(c23)c4c(ncn4)c(O)n3C5CC5 -MOL_01_018638,OC1CN(CCN1)c2cc(OC)c(cc2)-c(n3)nc(c34)c(C)nn(c4O)C5CCCCC5 -MOL_01_018639,COc1cccc(c12)C3C(CC2)CN(C3)CCN(C4=O)C(=O)N=C(C4=5)c6c(C5)cccc6 -MOL_01_018640,Cc1cccc(c1C)NC(O)CCc2nnc(n2-c3ccccc3)-c4nonc4NC(C)O -MOL_01_018641,CNCC(C)c1ccc(cc1F)-c2c(CN)cc(C)c3=NC(=N)C(C4=c23)=CC=C4 -MOL_01_018642,Clc1cc(ccc1)CN(C2=C)N=C(N23)c4c(N=C3N)n(nc4)CCN5CCCCC5 -MOL_01_018643,C1CCn(c12)c(N)c3c(n2)cc(c3C)C(N)Nc4ccc(C(C)C)cc4 -MOL_01_018644,Cc1cc(ccc1)NC(=O)C(=C2)C(C)=C(C2=3)C(=O)N=C(N3)c(c(=O)o4)cc(c45)ccc(c5)O -MOL_01_018645,CNC1CN(C1)c(c(C)c2)cc(c23)n(C4CC4)c5c(c3O)c(O)nc5 -MOL_01_018646,c1ccc(c12)c(O)n(CCC)c3n2c(nn3)CCCC(O)NCc4ccccc4 -MOL_01_018647,n1ccncc1Nc(c(c23)C(=C)N(C)C=N2)nc(c3)-c4ccc(C(C)(C)C)nc4 -MOL_01_018648,C=C(C)Nc1cccc(c12)C(=C)N3C(=N2)c4c(C3)cc5c(n4)cccc5 -MOL_01_018649,OC1CCN(CCC1)c2cc(OC)c(cc2)-c(n3)nc(c34)c(C)nn(c4O)C5CCCCC5 -MOL_01_018650,NCc(c1)c(CN)cc(c12)nc(Cl)nc2N3CCCCC3 -MOL_01_018651,CCCC(O)C1=C(C(C)(C)C)C=c(c12)c3c(cc2)nc4c(n3)=NC=N4 -MOL_01_018652,C=C(C)C(C1=C)=CN(C2CC2)c(c13)c(NN)c(c(F)c3)-c4cc(C)c(CN)c(C)c4 -MOL_01_018653,Cc(c1)ccc(c12)C(O)N(C)Cc3c(c(C)nn3C)c4nc(CC2C)c(N)nc4 -MOL_01_018654,CC(C)(C)c1cccc(c1)NC(O)Cc2nc(O)cc(n2)N3CCCCC3 -MOL_01_018655,c1cc(C)ccc1-n(c2=N)c(nc(c23)cccc3)CC(=N)c4cccnc4 -MOL_01_018656,N1=CN(C)C(=C)c(c12)c(NC3CC3)nc(c2)-c4ccc(C(C)(C)N)nc4 -MOL_01_018657,c1ccccc1-n2c(N)c(c(O)c(c23)ncc3)C(N)NCc4ccc(F)cc4 -MOL_01_018658,c1cccc(n12)nnc2-c3c(=C)[nH]c(=C)c3-c4cn(CCCC)c(c45)cccc5 -MOL_01_018659,c1cnccc1C2C(C(=C)CCC)=C(C)Cc(c23)nc4c(c3N)CCC4 -MOL_01_018660,CC1=CC(C)(C)Nc(c12)nnc3c2CCc4c3nnnn4 -MOL_01_018661,CCc1ccc(cc1)-n(cn2)c(=C)c(c23)cc4c3c5c(cn4)=CC=N5 -MOL_01_018662,c1ccccc1C(O)Nc(oc2O)nc(c23)cc4c3CCN(C4)Cc5ccccc5 -MOL_01_018663,Cc1ccc(cc1)C(N(C)C)CC(=O)N2CCN(CC2)c(n3)nc(N)c(c34)cc(CN)c(c4C)CN -MOL_01_018664,c1ccccc1NC(=N)C2CCc(n23)c(C4CC4)c(cc3=N)Cc5ccc(CN)cc5 -MOL_01_018665,CCNc1cc(ccc1N)C2C(=C(N)CCC3)C3Nc4ccc(c5c24)nccc5 -MOL_01_018666,CNc1ccc(cc1)-n(c2N)c(CCC(N)N)nc(c23)cc(C)c3C -MOL_01_018667,c1ccccc1-c2c(-c3ccccc3)nc(n24)CC(CC4=N)c5ccccc5CN -MOL_01_018668,NOc1ccc(cc1)-n(c2N)cnc(c23)c4c(c3)ncnc4NCC5CC5 -MOL_01_018669,CC(C)CCn1c(O)c(ccc2)c2n(c13)c(nn3)CCCC(O)NCCNC(C)O -MOL_01_018670,C1CCc(c12)c3c(c2)nc(n(c3O)CCC)CCC(O)NCC -MOL_01_018671,CCc1ccc(cc1)-n(c2C)cnc(c23)c4c(c3)ncnc4N(C)C -MOL_01_018672,c1cccc2c1nc(c23)c(-c4ccccc4)nc(N)n3CCN5CCNCC5 -MOL_01_018673,Cc1nc(C)cnc1C(=C)Nc2ccc(F)c(n2)C3(C)CCC(C)(C(F)(F)F)C(=N3)N -MOL_01_018674,CN(C)c1ncnc(c12)cc3c2ncn(c3O)-c4ccc(CN)cc4 -MOL_01_018675,CCCC(O)c(c1C)cc(c12)nc3n(c2O)CCC(C)CC3 -MOL_01_018676,Cc1cc(ccn1)-c2ccc(nc2NC)C3=NNCC(N34)C(CCC4)Nc5ccc(F)cc5C -MOL_01_018677,C=C1C(C)=CC=CN1c2ccc(c(Cl)c2)C(C(=C)N3CCCN)=Cc(c34)cnc(n4)NC -MOL_01_018678,Cc1ccc(cc1)C2C(CN)=C(N)Cc(c23)n(C)nc3-c4ccccc4 -MOL_01_018679,Cc1ccc(cc1)C(N)N(CCCN)C(CC)c(nc(c23)ccc3)n(c2N)Cc4ccccc4 -MOL_01_018680,c1cccc(c12)c(nc(n2)C(C)C)CCC(=O)N(C(C)C3)c(c34)cccc4 -MOL_01_018681,CC(=N)c(c1=N)cn2CC(=Cc(c2c13)c(Cl)c(F)c3)c4cccc(F)c4 -MOL_01_018682,C1CCn(c12)c(O)c3c(n2)cc(c3C)C(O)NCc4ccccc4 -MOL_01_018683,CCc(n1)nc(Cl)c(c12)C(O)n3c(C2)nc4c3cc(OC)c(c4)OC -MOL_01_018684,Cc1cccc(c1C)-c(n2)cn(c23)ccc(c3)NC(=N)N4CCC(C)C4 -MOL_01_018685,CNc1ncc(cc1NC)-c2cnc(n23)ccc(c3)-c4ccncc4 -MOL_01_018686,Cc1ccccc1-c(c2)ccc3=CC(=N)C(C4=c23)=NC(=N)N4c5ccccc5 -MOL_01_018687,c1cccc(c12)N3C(N2C)=NN(C(O)=C3O)CC(O)N4CCCc(c45)cccc5 -MOL_01_018688,NCc(c1)cc(CN)c(c12)cc(c(=O)n2CCCN)-c3ccc(CN)cc3 -MOL_01_018689,c1ccc(c12)c(O)n(C)c3n2c(nn3)CCCC(O)Nc4ccc(F)cc4F -MOL_01_018690,c1cnccc1-c2nc(CC)ccc2C(=O)N3CC(CCC3C)Cc4nccc(CN)c4C -MOL_01_018691,C1CCCCN1Cc2c(N)c(CC)cc(c23)c(N)c(c(n3)C)-c4cnn(c4)-c5ccccc5 -MOL_01_018692,c1ccncc1C(=N)CC2(N)C(=N)N(c(c23)cccc3)Cc4cccc(c45)cccc5 -MOL_01_018693,C1NCc(c12)ccc(c2)C3C(=C(N)N=C(C3=4)CCCC4C)C(=C)Nc5ccccc5CN -MOL_01_018694,CCCC(N)c(c1N)c(NC(C)(C)CC2)c2c(c13)nc(N)cc3-c4ccccc4 -MOL_01_018695,CC(C1)Cc(c12)nc(n(c2=O)CCOC)CCC(=O)N3CCCc(c34)cccc4 -MOL_01_018696,Cc(c1)cc(C(F)(F)F)c(c12)nc(c(N)c2C(N)N)C3(CC3)c4ccccc4 -MOL_01_018697,CCn1cc(C(=N)N)c(=N)c(c12)cc(F)c(c2NC(F)F)N3CCN(CC3)c4ccccc4NC -MOL_01_018698,C=c1cc(CC)c(=C)c(c12)c(ncn2)NCCN(CC)CC -MOL_01_018699,c1cccc(c12)C=3C(C2)=C4C(N3)=C(N=NC4=O)c5ccccc5 -MOL_01_018700,CN(C)CCCc1nc(n2c(c13)cccc3)c(cn2)-c4ccc(CN)cc4 -MOL_01_018701,Cc1ccc(cc1C)NC(O)CCCc2nnc(n23)n(C)c(O)c4c3ccc4 -MOL_01_018702,CCc1cccc(c1CC)C2C(CN)=C(N)Cc(c23)n(nc3C)-c4ccccc4 -MOL_01_018703,NCc1ccc(cc1CN)CCNCc2ccc(n23)C(C(=CC4)C=CC4(CN)CN)Cc5c3cccc5 -MOL_01_018704,c1cncc(c12)N(C(=C)N2C3CC3)Cc4nc(-c5ccccn5)cn4CCCCC -MOL_01_018705,c1cccc(c12)c(cn2CC)C(N)C3CC=C(N3)c4cccnc4 -MOL_01_018706,CCc1ccc(cc1)-c(n2)cc(C)n(c23)nc(n3)Cc4ccccc4 -MOL_01_018707,CNC(=N)c(c1C)ncc(c12)n(Cc3ccccc3)c(=N)c(c2)-c4ccccc4 -MOL_01_018708,C1CNCCN1C(N)c2c(Nc3ccccc3F)n(c(c24)nccc4)-c5ccccc5 -MOL_01_018709,c1ccc(NC)c2c1C(CCC3)C2(N)C34NCCCN4 -MOL_01_018710,Clc1ccc(cc1)C2C(CN)=C(N)Nc(c23)c(N)cc4c3nc5c(n4)cccc5 -MOL_01_018711,CN1CCN(CC1)C(=C)CC(c(c23)nccn3)N(C2=C)c4ccc(Cl)cn4 -MOL_01_018712,c1ccccc1-n(c2N)c(nc(c23)cc(C)c3C)CCC(N)NCCCO -MOL_01_018713,CC1=NN=c(c12)nnc=3c2N=C(N3)c4ccccc4C(=O)O -MOL_01_018714,CN1C(=O)NC(C)(C12C)c3c(C2=O)cccc3 -MOL_01_018715,c1ccccc1C(C2)C(OC(C)=N)c(n3c(c24)cc(F)cc4)ccc3CN(C)C -MOL_01_018716,Cc1ccc(cc1)NC(N)c(c2C)cc(c23)ncn(c3N)CC(N)N4CCN(CC4)c5ccccn5 -MOL_01_018717,C1CCCN1C(=N)C(CC2)n(c23)c(=N)c(cc3C(C)=N)CCc4ccc(Cl)cc4 -MOL_01_018718,Cc1ccc(cc1)C(=O)C2=C(c3ccccn3)OC(N)=C(CN)C2c4ccc(Cl)cc4 -MOL_01_018719,CC1=NN=c(c12)nnc=3c2N=C(N3)c4ccccc4C(C)O -MOL_01_018720,C1CCc(n12)nc3c(c2N)c4c(c3)CCC4 -MOL_01_018721,COc1ccccc1C2(O)CC=C(C)n(c23)c(=O)on3 -MOL_01_018722,c1ccncc1-n(cn2)c(C)c(c23)cc4c3c(ncn4)N(C)C -MOL_01_018723,NCc1c(N)c(NC)cc(c12)c(C)c(c(n2)N)-c3ccc(nc3)N4CCN(C)CC4 -MOL_01_018724,CCCCCc1ccc(cc1)CN2C(=N)c(cccc3)c3C24CC(=N)NC4=N -MOL_01_018725,Cn1ncnc1CCc(c2-c3ccccc3C)nn(c24)c(nnc4)-c5ccccc5Cl -MOL_01_018726,CCOC(N)c1ccccc1-c(c2)ccc(c23)c4c(cnn4)c(N)n3CC(F)(F)F -MOL_01_018727,CNc1ccc(cc1)-n(nc2C(N)NCC)c(N)c(c23)c(cc3)NC(N)Cc4ccccc4 -MOL_01_018728,CC1(C)CCCC(C1)n(nc2C)c(c23)NC(=N)CCC3c4ccc(CN)c(c4)CN -MOL_01_018729,Cc1ccc(c12)nc(N(CC3N)CCC3)n(c2O)Cc4ccccc4CN -MOL_01_018730,c1ccccc1C2(CC(C)(C)O)CCN(C(=O)C2)C(C)c3ccc(cc3)-c(n4)ccc(n45)ncc5 -MOL_01_018731,Cc1ccc(cc1)-n(c2O)cnc(c23)c4c(c3)nc(nc4N)C5CC5 -MOL_01_018732,CCCCCCC(C)(C)C(C1N)=CC(N)C(=C12)c3c(C(C2)(C)C)cn(n3)CC -MOL_01_018733,CC(=O)NCC1CC(=O)N(C12)c3c(CC2)cc(cc3)-c4ccc(nc4)N5CCCC5=O -MOL_01_018734,Nc1ccc(cc1)-c2c(N)nn(c23)c(cc(n3)N)N4CNCNC4 -MOL_01_018735,C1CN(C)C(=O)C1(C)/C=C/c(c2)ccc(CC3)c2n(nc(c4)C(=O)N)c4C35CCC5 -MOL_01_018736,c1ccccc1C(=O)NCc(c2C3CC3)cc(=O)n(c24)C(CC4)C(=O)O -MOL_01_018737,COCOc1cccc(O)c1CCC(O)CC(O)CCc2ccc(O)c(c2)OC -MOL_01_018738,C=C(N)CC1CCn(c12)c3c(n2)c(=C)c(N(C)C)c(C)c3=C -MOL_01_018739,c1cccc(c12)C=C3C(C2=N)=C(C(=N)N4CCCCC4)N=C3Cc5ccc(C)cc5 -MOL_01_018740,c1ccc(N)c(c12)N=C(NC(=C)C)C=3N2C(=C)N(N3)c4ccccc4 -MOL_01_018741,c1ccc(c12)c(O)n(C)c3n2c(nn3)CCC(O)Nc4ccc(F)cc4 -MOL_01_018742,CC(N)c1c(C)c(CC)c(nc1N)-c(c2)ccc(c23)n(C)c(c3)CN(C)C -MOL_01_018743,ClCC(=O)c1c(N)n(c(c1)N)-c2c(N)n(C)n(c2=O)-c3ccccc3 -MOL_01_018744,C1CCCC1(C)CCNc2ncnc(c23)nc(N)cc3N -MOL_01_018745,Cc1ccc(nc1)NC(=O)C(CCCN)Cc2ncnc(c23)n(nc3)-c4ccccc4C(C)(C)C -MOL_01_018746,CNc(c1)ccc(c12)c3c(C(N2)(C)C)cnn3CNC(N)CN4CCN(CC4)c5ccccc5 -MOL_01_018747,C1CCCc(c12)n3c(c2)nc(cc3N)COC(N)c4ccccc4NC(N)c5cccc(Cl)c5 -MOL_01_018748,COc1ccc(Cl)cc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)c5c(C4)cccc5 -MOL_01_018749,CN1C(=C)N(C)C(=C)c(c12)nc3n2c(N)c(nn3)CN -MOL_01_018750,C1CCCCC1N(C)C(=N)C(=N)c2cn(c(c23)cccc3)CC(=N)N4CCCC4 -MOL_01_018751,C1CC1N2CCN(CC2)c3ncnc(CC)c3/C=C/c4ccc(N)nc4 -MOL_01_018752,c1cnnn1CC(CC2=C)C(N23)CCc4c3ccc(c4)-c5ccc(CC)nc5 -MOL_01_018753,NCc1c(CN)cc(cc1CN)C(=C)NC(N2C)=C(c3ccccn3)C(=C)c(c24)cccc4 -MOL_01_018754,NCc1ccc(cc1)-c2cc(-c3ccccc3)c(CN)c(n2)CCC(N)N4CCCCC4 -MOL_01_018755,c1ccccc1N2C(=C)N(c3ccccc3)C(=C(C2=O)C(=O)OCC)CCCN4CCOCC4 -MOL_01_018756,Cc1cccc(c1)-c2ncc(CCC3CCNCC3)cc2-c4ccc(CN)cc4 -MOL_01_018757,CCN(CC)C(=N)Cn1cc(c(c12)cccc2)C(=N)C(=N)N3CCCc(c34)cccc4 -MOL_01_018758,CC(O)CN1CCN(CC1)c2ncnc(CC)c2/C=C/c3ccc(N)nc3 -MOL_01_018759,CCc(n1)c(CC)cc(n12)c3c(cc2)c4c(n3)ccc(c4)NO -MOL_01_018760,CN(C)c1ncnc(c12)cc(NC)c(c2)NCCc(n3)ccc(c34)cccc4 -MOL_01_018761,Cc(c1)cc(c12)nc3n(c2O)CCN(CC3)C(O)c4ccnn4C -MOL_01_018762,c1ccccc1Cn2c(=O)cc(NC(=O)C)nc2CCc3ccccc3 -MOL_01_018763,c1cccc(c12)c(cc(n2)N)NCCCC(N)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_018764,c1ccccc1C=2C(CC)=Nc(c23)c(N)cc4c3=NN=C4 -MOL_01_018765,c1cccc(c12)N=C(CCC(=C)N)N3C2=NC(C3=C)c4ccccc4 -MOL_01_018766,NCC(N)C(=C)C(=C)NCCc1cn(C(N)N)c(c12)cccc2 -MOL_01_018767,CNc1ccccc1Nc(n2)cc(n23)nc4c(c3N)ccc(c4)C(N)NC(C)c5ccccc5 -MOL_01_018768,NOc1ccc(cc1)C(=C(C2=3)C(=O)N=C(N3)N)C(=N2)c4ccc(F)cc4 -MOL_01_018769,n1ncc(c12)c(O)n(CC(F)(F)F)c3c2ccc(c3)-c4ccccc4C(O)NCc5cccnc5 -MOL_01_018770,COC(=O)N1CCN(CC1)c2ncnc(CC)c2/C=C/c3ccc(N)nc3 -MOL_01_018771,NCC(=N)c1cccc(c1)-n2c(=N)n(c(=N)c(c23)cccn3)CC(CC45)C(C4)CC5 -MOL_01_018772,CNc1c(C(N)N)ccc(c12)NC(C)(C)CC2 -MOL_01_018773,C1CCCCN1C(=N)C(C)(c(c23)cccc3)N(C(=N)N2)c4ccccc4 -MOL_01_018774,CCCc1ccc(c(C)c1)-c2ncncc2-c3ccc(CN)cc3 -MOL_01_018775,Cc(c1)cc(c12)nc3n(c2O)cc(cc3)C(C)O -MOL_01_018776,c1cnc(CN)c(n12)nc(c2C(=O)CCC)-c3ccccc3 -MOL_01_018777,Oc1nc(ncc2)c3c2CCCCCCc(n4)ccc(Cl)c4n13 -MOL_01_018778,c1cc(C)ccc1C=2C(c(cc3)ccc3C)=NC(C24)=NC(N)=NC4=O -MOL_01_018779,C=C(C)NCC1CC(=C)N(C12)c3c(C2)cc(cc3)-c4cncnc4 -MOL_01_018780,c1ccccc1-c2nn(CC(C)=N)c(=N)c(c2C(C)=N)NCCc3ccccc3 -MOL_01_018781,CNc1cccc(c1NC)C(N)CC2(N)C(N)=Nc(c23)c(C)ccc3C -MOL_01_018782,CCC(C)NC(O)c(c1)cc(c12)nc3n(c2O)cccc3C -MOL_01_018783,c1ccccc1-c(c2)n(c(n23)cc(n3)N)CC(N)c4ccccc4 -MOL_01_018784,c1ccoc1-c2nnc(n2-c3ccc(cc3)CC)CCC(=O)Nc4cccc(c4)C(=O)O -MOL_01_018785,C=1C=CC(C12)=c3c(=NC2=N)c(C)cc(C)c3-c4ccc(cc4)C5CCCNC5 -MOL_01_018786,NNc1ccccc1C2=NC=c(c23)ccc=4c3N=C(C4)NC(=O)c5ccc(Cl)cc5Cl -MOL_01_018787,c1ccccc1C=2C(c(cc3)ccc3C)=NC(C24)=NC(N)=NC4=O -MOL_01_018788,C=1C=CC(C12)=c3c(=NC2=O)c(C)cc(O)c3-c4ccc(cc4)CCCN -MOL_01_018789,c1cccc(c12)n3c(c2)nc(c(c3C)C(C)N)N4CCN(C)CC4 -MOL_01_018790,Cc1cc(CN)ccc1C2(N(C)CN)CCc(n23)cnc3 -MOL_01_018791,CNCCc1ccc(cc1)-c2c(O)cc(C)c3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_018792,Cn1c(C)nc(c12)c3c(c(c2)C(=N)N(C)C)CCC(C3)c4ccccc4F -MOL_01_018793,CC(=O)C(C1=O)=C(C)C=C(C12C)Cc3c2c(C)cc(C)c3C(=O)N -MOL_01_018794,Cc1ccc(nc1)N2CCc(c23)c(ncn3)CC4CCN(CC4)C(=O)CC(C)C -MOL_01_018795,c1ccccc1C(C(=N)N)Cc2nc(-c3ccccc3)cc(c2CN)-c4ccccc4NN -MOL_01_018796,c1cccc(c12)c3c(c(n2)N)C(CC(N3)(C)NC)c4ccc(F)cc4 -MOL_01_018797,CNc(c1)c(NC)cc(c12)CCN3C2=C(CN)c4c(C3N)c(NC)c(cc4)NC -MOL_01_018798,COCCN1C(=N)C(N)=C(C(=N)c2ccccc2)C1c3cc(OC)ccc3OC -MOL_01_018799,NCc1ccc(cc1)C2CC(N)Cn(c23)c4c(c3N)cccc4 -MOL_01_018800,Cc1ccc(cn1)-c2ncc(CCC3CCNCC3)cc2-c4ccc(CN)cc4 -MOL_01_018801,NCc(c1)ccc(c12)c(cn2C(C)C)C(N)C(N)Nc3ccc(CN)nc3 -MOL_01_018802,CCCNCc1ccccc1-c(c2)ccc(c23)c4c(cnn4)c(N)n3CC(F)(F)F -MOL_01_018803,CCC(C1N)=CC(N)c(c12)c(c(C)n2C)CCc3c(F)cc(F)cc3F -MOL_01_018804,Cc1ccc(cc1)-n(c2O)cnc(c23)c4c(c3)nc(C)nc4N -MOL_01_018805,c1cc(N)cc(c12)c3c(c(n2)N)C(CC(N3)(C)NC)c4ccccc4 -MOL_01_018806,CCN(CC)CC(=O)NC(N=1)=Cc(c12)c(OC)c=3c(c2)N=C(C3)NC(=O)CN(CC)CC -MOL_01_018807,C=C(N1)CCc(c12)ccc(n2)CNC3CCC(CC3)C(N)CN4C(=C)C=Cc(c45)ncc(c5)CC -MOL_01_018808,CCCCn(n1)c(=C)c(c12)=CN(c3c2cccc3)Cc4cccc(N)c4 -MOL_01_018809,NCc(cc1)ccc1C(=C2)N(CCCCCC)C(=C)c(n23)cc(n3)-c4ccc(CN)cc4 -MOL_01_018810,CC(=O)c1cc(cnc1)CC(=C2C(=O)C)CC=C(N23)C(C3=O)NC(=O)C(N)c4ccccc4 -MOL_01_018811,c1cccc(c12)CC(C(=O)N2CC(=O)CC)NC(=O)C(N=3)=CC(C34)=CC(Cl)=C4 -MOL_01_018812,C1CCCCN1c2cc(O)nc(n2)CC(O)Nc3ccccc3CCCN4CCCC4 -MOL_01_018813,c1ccccc1C(=N2)CCc(n23)nc4c(c3N)cc5c4cccc5 -MOL_01_018814,n1ccc(c12)c(cn(C)c2N)-c3cc(NC(N)CC(F)(F)F)ccc3Oc4ccc(F)cc4F -MOL_01_018815,NC1C(N)C(C)(C)Nc(c12)ccc(c2)-c(c3N)cnc(c34)cc(N)cc4 -MOL_01_018816,CC(C)(C1)C=Cc(c12)c3c(C(N)CC(C)C3)c4c2c(cc(n4)N)CN5CCN(C)CC5 -MOL_01_018817,NC(N)C1C(C)(C)Nc(c12)ccc3c2nc(cc3N)-c4ccc(F)cc4 -MOL_01_018818,Cc1ccc(cc1)-c2cc(-c3ccccc3)nc(c2CN)CCC(O)NC(C(C)C)C(O)O -MOL_01_018819,Cc1ccc(cc1)NC(=C)CN(C2=C)C=Nc(c23)n4c(n3)CCCCC4 -MOL_01_018820,NCCCn1c(C)c(cc1C)C(=C)CN(C(=C)N2)C(=C)C2(C)c3ccc(C(C)(C)C)cc3 -MOL_01_018821,c1ccccc1Cc(n2)c(O)nc(n23)ccc3-c4ccccc4OCCN5CCOCC5 -MOL_01_018822,COc1ccccc1NC(O)CCn(c2O)cnc(c23)cnc3-c4ccc(F)cc4 -MOL_01_018823,FNc(c1)ccc(c12)NC(=O)C2(C)CC(O)c(c3)ccc(c34)cccc4 -MOL_01_018824,c1cccc(c12)c(O)c3c(o2)c(nc3C(O)OC)Cc4ccc(O)cc4 -MOL_01_018825,CCN(CC)CCNC(=C)CN(C1=C)N=C(C)c(c12)c(C)n(n2)-c3ccccc3 -MOL_01_018826,CC(C)(N1)C=Cc(c12)c(NC)c3c(c2)NCC4C3Nc5c4c6c(cc5)NC(C)(C)C=C6 -MOL_01_018827,C1CCc(c12)ccc(c2)NC(=C)C(c(c34)cc(CN)c(c4)CN)C(N(C)C3=C)c5ccc(CN)cc5 -MOL_01_018828,C1NCC(N)Cn(c12)c(-c3ccc(Cl)c(N)c3)nc2-c4ccnc(c4)N -MOL_01_018829,CCOc1ccc(OCC)c(c1)NC(O)Cn(c2O)nc(CC)n(c23)c4c(c3)ccc4 -MOL_01_018830,CC(C)(C)NCC(C)Cn1n(-c2ccccc2)c(=N)c(c1C)C(=N)CCc3ccccc3 -MOL_01_018831,CC(=O)NC1=NN(C(=O)C)C(C1)c2cc(c3n(c24)nnn4)cc(C)cc3 -MOL_01_018832,N1=CN(C)C(=C)c(c12)c(NC(C)C)nc(c2)-c3ccc(nc3)NCCN4CCCCC4 -MOL_01_018833,CCCC(=N)C1CCN(CC1)CC(=N)Nc2c(C(=N)CN)n(C)c(c23)cccc3C -MOL_01_018834,n1ccc(c12)c(cn(C)c2O)-c3cc(C(O)N4CCCC4)ccc3Oc5ccc(F)cc5F -MOL_01_018835,CCc1c(C)cc(c12)n(c(O)nc2N)CCN3CCCCC3 -MOL_01_018836,c1ccccc1CN(C(C)C2CC2)C(=N)CN(C(=N)N3)C(=N)C34c5c(CC4)cccc5 -MOL_01_018837,c1cccc(c12)c3c(c(O)n2CC)cc(c3)C(O)N(Cc4ccco4)CCCOC(C)C -MOL_01_018838,NC1CCN(CC1)c2cc(OC)c(cc2)C(N=3)=NC(=O)C(C34)=C(N=C4)C5CCCCC5 -MOL_01_018839,Cc1nnc(n12)CC(C(C)O)=C(N2C(C)O)c3ccc(Cl)c(Cl)c3 -MOL_01_018840,NCc1ccc(cc1)Cc2cc(-c3ccc(CN)cc3)c(nn2)-c4ccc(CN)cc4 -MOL_01_018841,NOc1ccc(cc1)-c2c(CN)c(N3CCC(C)CC3)nc(n2)CCc4ccccc4 -MOL_01_018842,NCc(c1)ccc(c12)n(C)c3c2n(Cc4cccc(c4)CN)c(=N)n(c3=N)Cc5ccccc5 -MOL_01_018843,C1CCCCN1CCCn(cn2)c(C)c(c23)nc4c3cc(N)cc4 -MOL_01_018844,c1cccc(c12)C(=N)N=C3C2=CC(=C3C)C(=N)N4CC=C(CC4)c5ccc(F)cc5 -MOL_01_018845,OCc(n1)c(CC)cc(c12)CCCN2C(O)Nc3cc(c(cn3)CN)CCC4CCCCN4C -MOL_01_018846,C1C=Cc(n12)nc3c(c2C)nc4c3cc(cc4)CN -MOL_01_018847,Cc1ccc(cc1)C(O)C2=C(c3ccccn3)OC(N)=C(CN)C2c4ccccc4 -MOL_01_018848,Cc1ccccc1C(C2)CCc(c23)c(C(N)N4CCC4)cc5c3nc(C)n5C -MOL_01_018849,CCOC(=O)C(C=1C)=CC(C12)=NC(=NC2=O)Cc3nnc(C)n3-c4ccccc4 -MOL_01_018850,n1ccn(c12)c3c(cc2)NC4C(=N3)C5=C(CC4)N=NCC5 -MOL_01_018851,C1CCCCC1(C(C)=N)NC(=N)c(c(=N)n2CCCN)cc(c23)CCCCCC3 -MOL_01_018852,CCc(c1)cc(c12)cc3n2c(CC)nn(c3O)CC(O)N4CCC(C)CC4 -MOL_01_018853,CNc1ccc(cc1)C(N)Nc2c(-c3ccccc3)c(n(c24)ccc(c4)CN)-c5ccccc5 -MOL_01_018854,NNc(c1)ccc(c12)c(cn2C)CN(CC3)CCC34CN(C(=N)N4)c5ccc(C(=N)N)cc5 -MOL_01_018855,c1cc(O)cc(c12)CC(N)=C(C(O)CCC)C2c3c(Cl)ccnc3Cl -MOL_01_018856,CNc1ccc(cc1NC)C2CC(C)Nc(c23)c4c(nc3N)cccc4 -MOL_01_018857,c1ccccc1-c2c(O)nc(nc2N)CCC(=O)N3CCc(c34)cccc4 -MOL_01_018858,CC(C)Cn(c1N)cnc(c12)cc(C)c2C(N)NCCc3ccccc3 -MOL_01_018859,c1cc(C)cc(c12)CC(N)=C(C(=O)CCC)C2c(nc3)cc(c34)cccc4 -MOL_01_018860,N1CNc(c12)ccc(c2)-n3c(C(N)N)c(c(c34)cccc4)-c(c5)ccc(c56)NCN6 -MOL_01_018861,Cc1ccccc1N2C(=CCC2N)c(c(Cl)n3)cc(c34)cccc4 -MOL_01_018862,Cc1cccc(c1)N2CCN(CC2C)C(=O)C(C=3)=CC(C34)=c5c(=NC4=O)ccc(c5)C -MOL_01_018863,c1cccc(c12)n(CCC)c3c2cnn(c3=N)CC(=N)N(C(C)C)Cc4ccccc4 -MOL_01_018864,C=C(C)CCCC(=C)NC1CCc(c(Cl)c(CN)c(CN)c2CN)c2C(C1=3)=CC=C(C(C3)=C)CN -MOL_01_018865,Cn1nccc1-c(cc(n2)C)c(c23)cccc3NCc4c(C)ccnc4CNC(N)C5CCCCC5 -MOL_01_018866,c1cccc(c12)c3c(c(=C)c2=C)C(C(C3)(C)C)n4cc(nn4)CNc(c5=C)cc(=C)c(c56)cccc6 -MOL_01_018867,CNc1cccc(c12)C(CCC2)NC(N)CCN3CCN(CC3)c4ccccn4 -MOL_01_018868,NCc1cc(ccc1)-c2c(C)n(c(=N)n(c2=N)CC(C)N)Cc3c(F)cccc3F -MOL_01_018869,Fc1ccc(cc1)-c(n2)cc(c23)c(N)n(cc3)-c(c4)ccc(c45)n(nc5)CCN6CCCC6 -MOL_01_018870,NCc1c(C)cc(cc1)C2CC(C)=Nc(c23)n(nc3O)C4CCCC4 -MOL_01_018871,CC(C)NC(=NC1N)NC12c3c(NC(C2)(C)C)ccc(c3)CN -MOL_01_018872,CCC(O)c1cc(C)ccc1NC(O)Cc2nc(O)cc(n2)N3CCCCC3 -MOL_01_018873,OCc(n1)c(CC)cc(c12)CCCN2C(O)Nc3cc(c(cn3)CN)CCC4CCCN(C)C4 -MOL_01_018874,Fc1ccccc1-c2c(C)n(CC3CC3)c(=N)n(c2=N)CC(N)c4ccccc4 -MOL_01_018875,Cc1ccccc1NC(C)c2cc(C(=N)N(C)CCN)cn(c23)c(=N)cc(n3)N4CCNCC4 -MOL_01_018876,CC1=CC(=N)C=c(c12)c=3c(cc2)C=C(C)C3CN(C4=N)C(=N)c(c45)cccc5 -MOL_01_018877,Clc1cc(cc(Cl)c1)N(C(=N)C2)C(=CCC(C3)CN)C23c4ccccc4 -MOL_01_018878,Nc1ccc(c12)nc3n(c2O)CCN(CC3)Cc4ccccn4 -MOL_01_018879,CC(=O)NCC1CC(=O)N(C12)c3c(CC2)cc(cc3)C(=O)C -MOL_01_018880,c1ccncc1C2CC(C)=Nc(c23)n(nc3O)C4CCCC4 -MOL_01_018881,ClC(=C1)C=C(C1=2)C=C(N2)C(=O)NC(C(=O)N3CCO)Cc(c34)cccc4 -MOL_01_018882,CCCC(N)c(c1)ccc(c12)n3c(n2)C=CC3c4c(F)cccc4F -MOL_01_018883,CCC(O)c(c1C)cc(c12)ncn(c2O)CC(O)N(C)C3CCCCC3 -MOL_01_018884,CC1CCCCC1N2C(=O)N=c(c23)cnc=4c3C=CN4 -MOL_01_018885,C=C(C)C1CC1C(=C)c2ncc(cc2CN)N(CC3CC3)Cc4cc(Cl)cc(c45)CNC5 -MOL_01_018886,C1CCCCC1n(c2N)c(=N)nc(c23)C(CC3)NCCc4ccccc4 -MOL_01_018887,Cc1ccc(cc1CN)-c(c2)ccc(c23)C(=N)Nc4c(N3)cccc4 -MOL_01_018888,C123C45C6(C14C256)C7CCN(C7)C8CN(C8)C(=O)c9ccc1c(n9)ccc(c1)Oc1ccc3cn1 -MOL_01_018889,FC1CNCCCC1Cc2cccc(c23)ccc(n3)-c4nnc(n45)cccc5 -MOL_01_018890,c1cccc(c12)n3c(nc2C)nc(c3)-c4ccc(N)cc4 -MOL_01_018891,CN1CCN(CC1)C(O)c2ccc(cc2)-c(c3)cc(c34)nc(n(C)c4O)NCc5cccnc5 -MOL_01_018892,c1cccc(c12)nc(c(N)c2N)-c3cn(-c4ccccc4)nc3-c5ccc(F)cc5 -MOL_01_018893,CCc1ccc(cc1)C(C=2CN)CC(=O)N(C23)CN(CC3)c4ccccc4OC -MOL_01_018894,Cc1cc(C)n(CCON)c(=N)c1C(c2ccccc2Cl)N3CCN(CC3)c4ccccc4 -MOL_01_018895,CC(C)Nc1ccc(cc1C(F)(F)F)CNc(c2)ccc(c23)n4c(c3)C(NCC4)CC(N)N -MOL_01_018896,CNc1ccc(cc1NC)C(CC23)=C(C(=N)NC)C(CC2)N3C(=N)NCc4cccc(c45)cccc5 -MOL_01_018897,Cc1ccc(cc1)C(CC(=O)C)NC(=O)c2ccc(CN)c(n2)-c3ccc(F)nc3CN -MOL_01_018898,NCc1cc(CN)ccc1C(=N)CN(C(=N)N2)C(=N)C23c4c(CC3)cccc4 -MOL_01_018899,C1CCN(C12)CC(C)N(C2)C(=N)c3cn(c(c34)c(CN)ccc4)CC5CCCCC5 -MOL_01_018900,CC(O)CNC(O)c1c(C)cc(c(n12)ncn2)-c3ccccc3 -MOL_01_018901,NCc1ccccc1C(CC=C2C)(c(n23)ncc3C)CCC4CCCCC4 -MOL_01_018902,n1nc(N)c(c12)c(=C)n3c(n2)ccc3-c4cc(Cl)c(Cl)cc4C -MOL_01_018903,c1ccccc1Cn(cn2)c(c23)c(CN)c4c(c3C)C(=O)N(C4)Cc5ccc(F)cc5 -MOL_01_018904,c1ccccc1NC(=N)c(c2N)cnc(n23)c(c(n3)N)-c4ccccc4 -MOL_01_018905,CN1CCN(CC1)Cc2c(C=CC3)c=3c(CN)c(c2=4)C(=O)C=C(C4)c5cccnc5 -MOL_01_018906,Fc1ccc(cc1)-c2nn(CCC)c(=N)c(C(C)=N)c2-c3ccc(F)cc3 -MOL_01_018907,c1cccc2c1c(cccc3)c3C24NC(=N)N(C4)C5CCCN(C5)Cc6ccc(NN)cc6N -MOL_01_018908,COc1ccc(cc1)C(C=2)=NC(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5OC -MOL_01_018909,c1ccccc1Cn2c(C)c(cc2C)C(=N)CN(C(=N)N3)C(=N)C3(c4ccccc4)c5ccccc5 -MOL_01_018910,c1cc(F)ccc1C2C(C(=N)NCCNC)=C(C)NC(=C23)CC(CC3=N)c4ccc(NC)c(c4)NC -MOL_01_018911,CC=1C(C)=Nc(c12)cc=3c(c2)C(C)=C(C(N3)=N)CCC(=N)NCCc4ccccc4F -MOL_01_018912,CCCCC(=N)Nc(n1C)c(c(=N)c(c12)cccc2)-c3cccc(c3)CN -MOL_01_018913,C=1C=CC(C12)=c3c(=NC2=N)c(C)cc(C)c3-c4ccc(cc4)C(C)CN -MOL_01_018914,CCCC(=O)c1ccc(=O)n(n1)C(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_018915,C1CCCC1Nc(n(CC)c2O)nc(c23)c(cc3)/C=C/CN4CCOCC4 -MOL_01_018916,NCCCn1c(=O)c(N)nc(c12)cnc(n2)CCc3ccccc3 -MOL_01_018917,C=C(C)C(C1=C)=CN(C2CC2)c(c13)c(CC)c(c(F)c3N)NCCNc4ccccn4 -MOL_01_018918,NCCCCc(c1)ccn(c12)c(cn2)-c(n3)ccc(c34)cccc4CCC5(F)CCNCC5 -MOL_01_018919,Cc1ccccc1Cn2nc(c(c23)cccn3)C4=CC(=O)N=N4 -MOL_01_018920,c1ccccc1CC(C)C(=O)N2CCN(CC2)c3ccc(nn3)N4CCCCC4 -MOL_01_018921,Cc(c1)ccc(c12)n(C)c(N)c2CCNC(C)CCN -MOL_01_018922,CN(C)c(n1)ncc(c12)N=C(C(=C)N2C3CC3)c4cc(F)cc(F)c4 -MOL_01_018923,CN1CCN(CC1)Cc2ccccc2N3CCC(CC3)Cc4nc(cc(=O)n4C)-c5ccncn5 -MOL_01_018924,C=1C=CC(C12)=c3c(=NC2=N)c(C)cc(C)c3-c4ccc(cc4)CCCN -MOL_01_018925,Cc1ccc(cc1)CN2C(=N)C(c(c23)cc(F)cc3)C(CN)C(=N)CC(C)C -MOL_01_018926,c1ccccc1Cn(c2=N)nc(c(c23)c(N)nn3C)-c4ccccc4 -MOL_01_018927,Fc1c(F)cc(cc1F)C2c(cc3c(c4)CNC3)c4NC(=C25)CCC5=N -MOL_01_018928,CCCC(O)c1cc(C)c(c12)c(O)n(cn2)CCCN3CCCCC3 -MOL_01_018929,CC(C)c(c1)cc(c12)nc3n(c2N)cc(cc3)C(N)N -MOL_01_018930,NCc1ccc(cc1)C(N=NC2=O)=C(C2=3)c4c(N3)ccc(c4)CN -MOL_01_018931,CC(C)c(c1)ccc(N=C2N)c1C23CC(N=N3)c4ccccc4 -MOL_01_018932,CC1CCCC(C)N1CCCNC(=O)CN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_018933,c1cccc(c12)C(=N)C3C(=C2CCC)N=C(N3)Cc4ccc(F)cc4 -MOL_01_018934,c1cccc(c12)c3c(c(O)n2CC)cc(c3)C(O)N4CCN(CC4)c5cccc(c5)OC -MOL_01_018935,CNc1c(NC)c(NC)cc(c12)nc(N)nc2-c3cc(CN)ccc3F -MOL_01_018936,CC(=N)Cn(c1=N)c(N)nc(c12)c(-c3ccccc3)nc4c2cccc4 -MOL_01_018937,CC(C)(N1)CCc(c12)c3c(cc2)CC(CN3)c4ccc(N)cc4 -MOL_01_018938,CCOC(=O)c1ccccc1-c2ccc(o2)CC3C(=O)NC(C)N(C3=O)c4ccc(C)cc4 -MOL_01_018939,C=1C=CC(C12)=c3c(=NC2=N)c(C)cc(C)c3-c4ccc(cc4)CCN -MOL_01_018940,C=C(C)C(C1=C)=CN(CC)c(c12)nc(c(c2)C)N3CCCC(C3)C(=C)N -MOL_01_018941,Cc1ccc(cc1)-c(cn(c23)c(N)c(n3)C)nc2-c4ccc(CN)cc4 -MOL_01_018942,C1NCc(c12)cc3c(c2)c4c(c3=C)c5c(cc(CN)c(c5)CN)c(=C)n4CCCN(CCC)CCC -MOL_01_018943,Fc1c(F)cccc1CNC(C(C23)=CC(=C)C(CN)=CC=2)CCc4c3c(CN)c(CN)c(c4)CN -MOL_01_018944,C1CCN1Cc2cc(ccc2)Cc(c3O)c(cc(n34)ccc4C)C(C)Nc5ncnc(N)c5CN -MOL_01_018945,Cc1cc(CN)c(c(F)n1)CN(C2F)CCc(c23)c(Cl)cc(c3Cl)C(CN)C4(C)CCC4 -MOL_01_018946,CCN(CC)CC(O)NC(N=1)=Cc(c12)c(Cl)c=3c(c2)N=C(C3)NC(O)CN(CC)CC -MOL_01_018947,Cc(n1)ccc(c12)c(=N)c(cn2CC)C(=N)NC3CCc(c34)cccc4 -MOL_01_018948,CCC(=O)N1CCC(C1)Cc2cnnc(c23)ccc(c3)-c4ccc(CN)nc4 -MOL_01_018949,Cc1nn(C)cc1CN(CC2)CCc(n23)nc4c(c3O)ccc4 -MOL_01_018950,c1cccc(c12)n(CC)c3c2nnc(n3)CCC(=O)Nc(c4)ccc(c45)CNC5 -MOL_01_018951,c1cnccc1C2C(CN)=C(N)Cc(c23)n(nc3C)Cc4ccccc4 -MOL_01_018952,CCC(C)(C)C(=N)N1CCN(CC1)c(c(F)c2)cc(c23)n(C4CC4)cc(c3=N)C(C)=N -MOL_01_018953,NCc1cccc(c12)n3c(nn2)c(N)nc3-c4ccccc4N -MOL_01_018954,C1CCCC1CN(C(N)=C2)C(=C)C(=C23)C(C(=C(C3)N)CN)c(c4)cc(CN)c(c45)CNC5 -MOL_01_018955,CC1CCN(CC1)C(=C)CN(C=N2)C(=C)c(c23)nnn3-c4cccc(c4)CC -MOL_01_018956,c1ccc(c2c13)CC(C)Cn2c(c3)C(=N)NCc4cccc(CN)c4CN -MOL_01_018957,NC(=O)c(c1)nn(c12)c3c(CCC2C)ccc(c3)/C=C/C4(C)CCN(C)C4=O -MOL_01_018958,C1CC1(C)CC(=C)N(C23)C4CC(C2)N(C(C4)C3)c5ncnc(c5C)Cc6ccc(cc6C)-n7cnnn7 -MOL_01_018959,NCc1ccc(cc1)-c2cc(CCC3CC=NCC3)cnc2-c4ccncc4 -MOL_01_018960,CN(C)c1ccnc(c12)cc3c2ncn(c3O)CC4CCCCC4 -MOL_01_018961,c1ccccc1C(C)N(C(=N)N2)C(=N)C2(Cc3ccccc3)C(=N)Nc4cccc(F)c4 -MOL_01_018962,c1cccnc1-n2c(nc(c23)CCC3)C(O)Cc4ccccc4-n5cccc5 -MOL_01_018963,Fc1ccccc1C2C(C(=N)NCCC)=C(C)NC(=C23)CC(CC3=N)c4ccc(NC)cc4 -MOL_01_018964,C1CCCN1CC(N)c2c(C)c(n(C)c2C)C(N)c3ccc(Cl)cc3Cl -MOL_01_018965,FC(F)n1cc(ccc1=N)-c2cnc(C)nc2NCC3CC3c(n4)ccc(c45)cccc5 -MOL_01_018966,C1NCc(c12)cc3c(c2)c4c(c3=C)c5c(cc(CN)c(c5)CN)c(=C)n4CCCNCCCC -MOL_01_018967,CNc1ccc(cc1)/C=C/C(N)/C=C/c(nc(n23)cccc3)c2-c4cc(NC)c(NC)cc4NC -MOL_01_018968,NCC(C)(C(C)C)NC(=C)CN(C(=C)N1)C(=C)C12c3c(CCC2)cccc3 -MOL_01_018969,O=C1N=CC=c(c12)c=3c(c4c2cc(F)cc4)N=C(N3)c5ccc(Cl)cc5 -MOL_01_018970,CC(=N)NCC1CC(=N)N(C12)c3c(CC2)cc(cc3)-c4ccc(C(C)=N)nc4 -MOL_01_018971,N1CCNc(c12)ccc(c2)C(=N)C3=C(N)C(=N)N(C3c4ccc(cc4)C(C)C)CCN5CCNCC5 -MOL_01_018972,n1ccc(c2c13)cc4c(NCN4)c2c5c(C3N)cccc5 -MOL_01_018973,c1cnc(c12)c(C)n(C)cc2-c3cc(N)ccc3CC(CC4)CCC4(F)F -MOL_01_018974,CCc1ccccc1C(C2)CCc(c23)c(C(N)N(C)C)cc4c3nc(C)n4C -MOL_01_018975,N=C(N)C(C)(C)Cc1ccc(cc1)-c2cccc(c2)-n3cc(c(=N)c(c34)cccn4)C(=N)NC5CC5 -MOL_01_018976,CCCC(=N)c1c(C)c(-c2ccccc2)n(c1C)CC(=N)N3CCN(C)CC3 -MOL_01_018977,CC(C)(C)c1cc(ccc1)-c2c(C(C)(C)C)nn(C)c2NC(O)c3nccnc3C(O)O -MOL_01_018978,CCC(CC)CCn1cc(CN)c(c12)c(C)nc(n2)N -MOL_01_018979,Clc1ccccc1C(CC(=O)C)NC(=O)c2ccc(nc2)Cc3ccccc3 -MOL_01_018980,Fc1ccc(cc1)NC(=C)NC2CCc(cc(CN)c(CN)c3CN)c3C(C2=4)=CC=C(C(C4)=C)CN -MOL_01_018981,c1cccc(c12)c(cc(=O)n2C)CCC(=O)Nc3cccnc3 -MOL_01_018982,C1CCCOC1CCc2n(-c3ccccc3)c(nn2)-c4cnccn4 -MOL_01_018983,Cc1ccc(cc1)C2=CN=C(C2=3)C(=O)N(C(N3)=O)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_018984,Cc1cc(C)cc(C2)c1C(=O)C(C23C(=O)N)=CC=CC3C -MOL_01_018985,Nc(n1)nc(C)c(c12)nc(n2CCCCC)N3CCCCC3 -MOL_01_018986,CCc1ccccc1N(C2)CCC(N23)=C(CN)C(CC3N)c4ccccc4F -MOL_01_018987,CC(C)(N)c1ccc(cc1)-c2c(O)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_018988,C1CCCCC1n(nc2C)c(N)c(c23)nc(n3)-c4ccc(N)cc4CN -MOL_01_018989,Nc1ncc(cc1)/C=C/c2c(ncnc2CC)-c3ccc(c(c3)NC)C(N)N4CCC(N(C)C)CC4 -MOL_01_018990,CCc1ccc(cc1)-n(c2O)nc(C(O)CC(C)(C)C)c(c23)ccc3N -MOL_01_018991,CCCC(O)c1ccc(cc1)-n(c2O)nc(C(O)CCC)c(c23)ccc3N -MOL_01_018992,CCCCC(=NC1O)NC12c3c(CC(C2)(C)C)ccc(c3)CN -MOL_01_018993,Cc1cccc(Cl)c1C2=CC(N)c(n23)nc4c3cccc4 -MOL_01_018994,Clc1ccc(cc1)-c2c(CN)c(N3CCOCC3)nc(n2)CCc4ccccc4 -MOL_01_018995,Nc1ncc(cc1)/C=C/c2c(ncnc2CC)N3CCN(CC3)c4ccncc4 -MOL_01_018996,CCC/C=C/C1(C(C)(C)C)CC(=O)Nc(c12)ccc(c2)NO -MOL_01_018997,CC(C)(C)CC(=O)N1CCC(C1)Cc2ncnc(c23)CCN(C3)c4cnc(CN)c(C(F)(F)F)c4 -MOL_01_018998,c1ccccc1C2(c3ccccc3)N(C(N)CCC)N(C2N)c4ccccc4 -MOL_01_018999,CCn(c1=O)nc(c2c13)CC(C)(C)n2cn3 -MOL_01_019000,c1ccccc1N(C(=N)NC2=N)C(=N)C23C4N(CCC4)c5c(C3)cccc5 -MOL_01_019001,CCCc1ccccc1CNC(N)CN(C2N)c(cc(Cl)cc3)c3Cc(c24)nccc4 -MOL_01_019002,c1cccc(c12)N=C3C2=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5 -MOL_01_019003,CCC(N)c1ccc(cc1)-c2c(O)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_019004,Cc1ccc(cc1C)N(C2=O)C(=O)N=C3C=C(C4=C23)CNCC4 -MOL_01_019005,NCc1ccc(cc1)-c(cc2)nc(c23)C(=C)N(C3)c4ccc(c(c4)CN)CCCN5CCCC5 -MOL_01_019006,c1ccccc1C2=C(C(O)CCC)C(NC(=N2)C)c3cc(NC)ccc3CC -MOL_01_019007,CNc1ccc(cc1)C(N)(N)n2c(cc(c23)cccc3)C4(N)CCC(N)CC4 -MOL_01_019008,C1CCc(c12)ccc(c2)C(O)N(CC3)C(CCC)c(c34)n(nc4)CC -MOL_01_019009,CCNC(=N)C1=C(C)NC(C)=C(C(=N)NCC)C1c(c(F)n2)cc(c23)cccc3C -MOL_01_019010,c1ccccc1N2C(C)=C(C(=O)C)C(=NC2=C)N3CCN(CC3)c4ccccn4 -MOL_01_019011,CN(C)CCn1cc(c(cc2)N(O)O)c3c2Cc(c4c13)cccc4 -MOL_01_019012,N1CCCc(c12)c(O)nnc2Cc3ccc(C)c(c3)C(O)N4CCN(CC4)C(O)N5CCCCC5 -MOL_01_019013,COc1cc(NCCN)ccc1C(N=2)=NC(=O)C(C23)=C(N=C3)C4CCCCC4 -MOL_01_019014,c1cc(C)ccc1-c(n2)nc(c(c23)c(=O)n(C)c(=O)n3C)CCC(=O)NCC4CCCO4 -MOL_01_019015,O=C1CC(CN1)C(C)Cc2cc(cc(c23)nccc3)-c(c4)ccc(c45)ncn5C -MOL_01_019016,CC(C)NC(N)c1nn(c(N)c(c12)c(N)cc2)-c3ccc(OC(F)(F)F)cc3 -MOL_01_019017,Clc1ccc(cc1)NC(=O)NCC2CC(=O)N(C23)c4c(CC3)cc(cc4)N5CCCCC5=O -MOL_01_019018,Cc1ccc(cc1)-c2cn(nn2)-c(c(n3)N)cc(c34)ccc(c4C)CC(C)N -MOL_01_019019,CCN(CC)CC(=O)NC(N=1)=Cc(c12)c(Cl)c=3c(c2)N=C(C3)NC(=O)CN(CC)CC -MOL_01_019020,Cc(c1)ccc(c12)NCc3c2n(nc3)CC(N)N4CCN(CC4)c5cc(C)ccc5C -MOL_01_019021,C1CCCC1Nc2c(NC)ccc(c23)C(=NN(C3)C(C)N)Cc4c(Cl)cncc4Cl -MOL_01_019022,COc1cc(ccc1)N(C(=C)N2)C(=C)C23CCN(CC3)Cc4ccc(cc4)-c5cccc(c5)CN -MOL_01_019023,COc1ccccc1-n(c2=O)c(CCC(=O)N)nc(c23)CCC3 -MOL_01_019024,NCCCN1C(=C)C(c(cc2)ccc2C)=Nc(c13)cnc(n3)N4CCNCC4 -MOL_01_019025,n1ncc(c12)c(N)n(CC(C)(C)C)c3c2cnc(c3)-c4ncccc4Cl -MOL_01_019026,Nc(c1)ccc(c12)nc(N)c(c2NC)C(CC(C)N)c3ccccc3 -MOL_01_019027,NNc1ccc(Cl)cc1CC2(C)C(=N)Nc(c23)ccc(c3)-c4ccccc4NN -MOL_01_019028,Cc(c1)ccc(c12)nn(N)c3c2cc(c3)C(N)N(C4C)CCc(c45)cc(CN)c(c5)CN -MOL_01_019029,OC1CC(C)(C)CC(=C12)Cc3c(C2C(CN)CN)cc4c(n3)cccc4 -MOL_01_019030,COc1ccccc1C(C2O)=C(N3CCCC3)C(O)c(c24)cccc4 -MOL_01_019031,NCc1c(CN)cc(cc1CN)C(Cl)Cc2cccc(c2)Nc3ncnc(c34)cccc4 -MOL_01_019032,NOc1ccc(c(c1)ON)C(CC2)=Nn(c23)c(nn3)-c4ccccc4N -MOL_01_019033,c1ccnc(c2=C)c1c(=C)c(c3C(=C)CCC)c2n(c34)cccc4N -MOL_01_019034,C1CCCC1NC(=C)CN(C2=C)C=Nc(c23)n(nn3)-c4cccc(c4)CC -MOL_01_019035,Cc1nc(C)cc(c12)CC(N)=C(C(=O)CC)C2c3ccc(Cl)cc3 -MOL_01_019036,C1CNCCC1Cn(cc2C(N)C(C3(C)C)C3(C)C)c(c24)cc(cc4)NCc5ccccc5 -MOL_01_019037,NCCCCNC(N)c1ccc(cc1)-c2ccncc2 -MOL_01_019038,CNCc1cccc(c1)Cc(c2O)c(cc(n23)ccc3C)C(C)Nc4ncnc(N)c4CN -MOL_01_019039,O=C(O)c1cc(ccc1)CC2CC(C)N(C2=O)c3ccccc3C(C)(C)C -MOL_01_019040,CC(=O)Nc(c1)ccc(c12)C=C3C2=NC(=NC3=O)c4ccccc4Cl -MOL_01_019041,c1ccc(c12)n3c(c2)c(O)n(nc3CC)CC(O)N(CC)Cc4ccccc4 -MOL_01_019042,c1cccc(c12)nc(C(C)(C)C)n3c2nnc3CCC(=O)NCc4ccco4 -MOL_01_019043,c1cccnc1C(C(=N)NC(C)(C)C)N(C(=N)C2CCC(=N)C2)c3ccc(F)cc3 -MOL_01_019044,C1CCc(n12)nc3c(c2N)c(cc3)-c4ccccc4 -MOL_01_019045,c1ccnc(c12)NC(=C(C2)NC)c3cnn(c3C)-c4ccccc4 -MOL_01_019046,O=c1[nH][nH]c(c12)CCn3c2c4c(c3O)cccc4 -MOL_01_019047,Cc1ccccc1C(N)N(CCc(c23)cc(NC)c(c3)NC)C2CNc(c4)ccc(c45)c(C)cc(n5)N -MOL_01_019048,CNc1ccccc1CCNC(=N)CCC(C(N=2)=N)=C(C)c(c23)cc=4c(c3)N=CC4C -MOL_01_019049,c1nccnc1C(O)CN(C)Cc(c2)cc(c23)c(O)c(cn3C)C(O)NCc4ccc(Cl)cc4 -MOL_01_019050,CC1CCN(CC1)C(=C)N(C23)C(CC2)CC(=C3C(=C)CN)c4cccc(CN)c4CN -MOL_01_019051,CNc1c(NC)cc(cc1NC)-c(c2N)cnc(c23)c4c(cc3)NC(C)(C)C=C4 -MOL_01_019052,c1ccccc1N(N=C2C(=O)C)CC23c4c(cccc4)Oc5c3cccc5 -MOL_01_019053,C1COCCN1c2nc(nc(c2CN)-c3ccco3)CCC(O)CN4CCOCC4 -MOL_01_019054,NCc1cccc(c12)C3C(CC2)CN(C3)CCN(C4=O)C(=O)N=C(C4=5)N=CC5 -MOL_01_019055,CCn(c1N)cnc(c12)cc(c2C)C(N)Nc(c3)ccc(c34)CNC4 -MOL_01_019056,C=C1NC(=C)NC12c3c(CC(C2)C(=C)N)ccc(C)c3 -MOL_01_019057,c1ccc(C(F)(F)F)c(c12)ncc(c2C)-c3nnc(C)n3Cc4ccccc4 -MOL_01_019058,Fc1ccccc1C(CC(C)=N)NC(=N)c2ccc(CN)c(n2)-c3cc(C)ccc3Cl -MOL_01_019059,c1nccnc1-c2nnc(n2C)CCCCN(CC3)CC34CC4c5ccc(C(C)(C)C)cc5 -MOL_01_019060,CCc(c1)c(CC)cc(c12)nc(nc2N)N3CCNC(C3)C(C)NC(C)(C)C -MOL_01_019061,CCCCC(CC)C(O)NC(C=1)=Nc(c12)c3c(cc2)=CN=C3c4ccccc4NN -MOL_01_019062,CN(C)c1cc(ccc1)C(O)Nc2ccc(C)c(c2)Nc3ncnc(c34)cc(CN)c(c4)CN -MOL_01_019063,NC1CCCc(c12)c(n3c(c2)ccc3)C(N)c4ccccc4 -MOL_01_019064,Cc1ccc(C)c(c1)C(=N)C2=C(N)C(=N)N(C2c3ccc(N)cc3)CCc4ccccc4 -MOL_01_019065,c1cccc(c12)C(=C)N(CCC)c3n2c(nn3)CCCNCCC -MOL_01_019066,Cc1occc1-c2nnc(n2CC(C)C)CCC(O)N3CC(O)Nc(c34)cccc4 -MOL_01_019067,CNc1ccccc1Cc2cccc(c2)-c(c3N)c(N)nc(c34)cc(C)cc4 -MOL_01_019068,C1CNCCC1Cn(cc2C(N)C(C3(C)C)C3(C)C)c(c24)c(ccc4)CNc5ccccc5 -MOL_01_019069,C1CCCc(c12)n3c(c2)nc(cc3N)CCC(N)c4ccc(cc4)NC(N)c5cccc(F)c5 -MOL_01_019070,CC(C)C(=O)Nc(nc1C)nc(c12)ncc(n2)-c3ccc(cc3)NNN -MOL_01_019071,c1cccc(c12)nc(n2C)-c3nc(CC)c(CN)c(c3)-c4ccccc4 -MOL_01_019072,NCc1ccc(cc1)-c(cc(c23)nccc3)nc2CCC4CNC(=O)C4 -MOL_01_019073,Cn1c(=N)n(C)c(c12)cc(c(c2)CN)N(C3=N)C(=N)c4cccc(c4c35)ccc5 -MOL_01_019074,NCc1ccc(cc1)C(=C2)N=NC23c4c(NC3=O)cc(Cl)cc4 -MOL_01_019075,N=CCn(c1=O)nnc(c12)cc3c(c2)CC4N(C3=O)CCC4 -MOL_01_019076,COc1cccc(c1)NC(O)COc(c2)cc(O)c(c23)C(O)CC(O3)(C)C -MOL_01_019077,c1cccc(c12)C=3N(C(=O)C(N3)C)C(=N2)CCC(=O)NCc4cccc(CN)c4CN -MOL_01_019078,Nc(n1)cc(N)n(c12)nc(n2)CCC(=O)N3CCc(c34)cccc4 -MOL_01_019079,CC(C)(N1)CCc(c12)c3c(cc2)c(N)c(cn3)-c4ccc(CN)cc4 -MOL_01_019080,CCC(=O)NC(C(C(=O)C)C(=O)CC)c(c1)ccc(c12)cccc2 -MOL_01_019081,Fc1ccc(cc1)N(C(=N)C2(N)N)C2c3cccc(c34)nccn4 -MOL_01_019082,c1cccc(c12)n3c(c2)N(C(=O)C(C3=O)CC)CC4CCCCC4 -MOL_01_019083,N1CNc(c12)cc(cc2NC)C3C(C(N)NC4)=C4Nc(c35)cc6c(c5)CCC6 -MOL_01_019084,Cc1cccc(c12)n3c(n2)CCCC3CNC(N)c4ccccn4 -MOL_01_019085,c1ccc(F)c(c12)N(C=C(C2=C)C(=C)C)Cc3ccc(cc3)-c4ccc(CN)nc4 -MOL_01_019086,NC(O)C(C)Cc(n(c1O)CC=C)nc(c12)cc(c2)CC -MOL_01_019087,c1cccc(c12)n3c(cc2C)nnc3CCCCCN(C4O)C(O)c(c45)cccc5 -MOL_01_019088,NC(O)C1CCCN(C1)c2ncnc(c23)CCc4c(C3)cccc4 -MOL_01_019089,c1ccncc1C(C)Nc2cc(NC)c(cc2)C(=N)N3CCC(CC3)N4C(=N)NCc(c45)cccc5 -MOL_01_019090,C1CCCN1c(nc2C)nc(c23)nccc3-c4ccccn4 -MOL_01_019091,CC(C)Cc1nc(N)nc(c12)ncc(n2)-c3ccc(CN)cc3 -MOL_01_019092,c1cc(C)ccc1C2C(CCCC=3)C3C(CN)=C(N)C24C(=N)c5c(C4=N)cccc5 -MOL_01_019093,CC=1C(C)=Cc(c12)nc3n(c2=O)nc(n3)Nc4ccc(C)cc4 -MOL_01_019094,Cc1c(Cl)cccc1Cn2c(C)nc(O)c(c23)cc(n3)N4CCOCC4 -MOL_01_019095,CN(C)c1ccc(cc1)-c2nc(C)nc(c2CN)N3CCCCC3 -MOL_01_019096,Cc(n1)ccc(c12)c(=N)c(cn2CC)C(=N)Nc3ccc(cc3)C(=N)N4CCCC4 -MOL_01_019097,c1ccc(F)c(c12)nccc2NC3CCC(C)N(C3)C(=N)c4ccccc4-c5cccnc5 -MOL_01_019098,CNc1ccc(cc1)C2(N)NC(=N)C(c(c3)ccc(c34)NCN4)=C2Cc(c5)ccc(c56)cccc6 -MOL_01_019099,CC(C)(N1)CCC(=C1C23CN2)C(N)c4c3cccc4 -MOL_01_019100,CC(C)C(C1=O)c(n12)cc(c2C(=O)C)CCc3ccccn3 -MOL_01_019101,O=C(N1)CCc(c12)c(ccc2)C(=O)N3CCCC3Cn4cccn4 -MOL_01_019102,CC(C1)=NC(C)c(c12)c(NC)cc(NC)c2-c3ccc(N)c(c34)c(NC)cc(c4)C -MOL_01_019103,Cc1ccccc1-c(n2)nc(c(c23)c(=O)n(C)c(=O)n3C)CCC(=O)NCc4ccc(F)cc4 -MOL_01_019104,C1CCCC1c(n2)nc(c23)nc(n(c3O)CCC)Cc4cccnc4C -MOL_01_019105,Cc1ccc(cc1)-c2nc(-c3c(C)c(C)nc(N)c3C)oc2-c4ccncc4 -MOL_01_019106,CNc1cccc(c1)N2C(=O)CC=C2c(c(Cl)n3)cc(c34)cccc4 -MOL_01_019107,CCCC(N)c1c(CC)nc(c(c1C)C(N)CCC)-c2ccccc2 -MOL_01_019108,C=Cc(c1)ccc(c12)c(N)c(c(n2)N)C(C(C)N)c3ccccc3 -MOL_01_019109,NCc1ccc(cc1)-c2c(c3nc(c24)ccc(c4)N)CNc5c3ccc(c5)N -MOL_01_019110,N=C(N)CC(N)CC(N)CNc1c(cc(F)cc1C)CCCNc2ccc(F)cc2 -MOL_01_019111,FC(F)(F)CC(CC)CNC(N)c(c1)ccc(c12)n(C)cc2Cc3ccc(C(N)N)cc3NC -MOL_01_019112,CC(C)CCc1c(N)cc(N)c(c12)c(N)c(cn2)-c3ccc(N)cc3 -MOL_01_019113,c1ncnn1CC2(c3ccccc3)C(C)N(CCC2)C(=O)c4ccccc4 -MOL_01_019114,Cc1nn(C)c(c12)ncc(C(=O)CCC)c2Cc3ccc(Cl)cc3 -MOL_01_019115,c1ccccc1-c(c2C(=N)CCC)nnc(c23)c4c(C3=N)cccc4 -MOL_01_019116,Cc1ccc(nn1)-c2nnc(C)n2-c3ccc(C)c(Cl)c3 -MOL_01_019117,Nc1cc(ccc1)/C=C/C(N)(c2cncn2C)c3ccc(CN)c(c3)-c4cccc(c45)cccc5 -MOL_01_019118,C1CC(N)=NC12C3(CCC3)C(C)(C)Cc4c2cc(cc4)-c5ccnc(c5)CN -MOL_01_019119,CC1=NC=c(c12)cc3c(n2)=Nc4c3cc(cc4)CN -MOL_01_019120,COc1cccc(c1)NC(O)CCCNC(O)Cn(c2O)cnc(c23)cc(C)c3C -MOL_01_019121,CC=1C(C)=Cc(c12)c3c(cc2C)=CC(=N)C(=C3C)CC(=N)NCCc4ccccc4F -MOL_01_019122,OC/C=C/c(c1)cc(c12)c(N)c(cn2CCN(CC)CC)C(N)NCc3ccc(Cl)cc3 -MOL_01_019123,CNc1c(C)ccc(c1C)C(C2)CCC(N23)CN(CC3)C(=O)Cc4c(C)nc(nc4C)-n5cnnn5 -MOL_01_019124,NCc1cc(C(F)CN)c(cc1CN)NC(F)c2cc(nc(c23)cccc3)-c4ccccc4 -MOL_01_019125,CCCCCn1cc(c(c12)cc(N)cc2)C(N)c3cccc(c34)cccc4 -MOL_01_019126,NCc1cc(ccc1)C(CC=C2C)(c(n23)ncc3N)CCC4CCCCC4 -MOL_01_019127,Cc1coc(c12)c3c(C(O)C2O)c4c(cc3)CC(C)(C)CC4 -MOL_01_019128,CNc1ccc(C(C)N)cc1-n2cnc(c23)c(C)nc(n3)C -MOL_01_019129,NCc1c(CN)cc(cc1CN)C2CC(=C)N(C(=C23)CCC3=C)c4ccccc4 -MOL_01_019130,NCc(c1)ccc(c12)CC(C)(C)C(=O)C2(F)C(=O)Nc3ccccc3 -MOL_01_019131,C1CCc(c12)nn(C)c2NC(N)CCn3ccc(c34)c(CN)ccc4 -MOL_01_019132,c1ccccc1C(NC(=N)N2C)C(=C23)C(=N)N(C3)CCc4ccc(CN)c(c4)CN -MOL_01_019133,c1ccccc1C(=C)NC(C(C23)=CC(=C)C(CN)=CC=2)CCc4c3c(CN)c(CN)c(c4)CN -MOL_01_019134,Fc1ccccc1N(C)C(=N)c(c2)ccc(c23)c(=N)n4c(n3)CCCCC4 -MOL_01_019135,C1CC1c(n2)nn(c23)c(ccc3CN)C(N)Cc4ccccc4Cl -MOL_01_019136,CC(N)c(c1)ccc(n12)nc3c(c2C)ccc3 -MOL_01_019137,NCc1ccc(cc1)-c2cc(=N)n(Cc3ccc(Cl)cc3)nc2-c4ccc(CN)cc4 -MOL_01_019138,c1ccccc1-n2c(O)cc(c23)c(Cl)nc(n3)-c4ccccc4 -MOL_01_019139,Nc(n1)nn(c12)ccc(c2)-c3cnc(CC)c(c3)NC(C)(C)c4ccc(C)cc4 -MOL_01_019140,Clc1ccc(cc1)Cc(c(C)n2CC(C)N)c(c23)c(ccc3)NC(C)N -MOL_01_019141,CCCCC1=CN=c(c12)c(N(C)C)cc=3c2N=NC3 -MOL_01_019142,CCNc1cc(ccc1C)CCC(N)c(c2N)ccc(c23)NC(C)(C)CC3 -MOL_01_019143,C1CCCN1CC(N)N2CCCc(c23)c4c(nc3N)ccc(c4)NCc5ccccc5 -MOL_01_019144,CNC(=C)c1cc(F)cc(c1)-c(c2)ccc(CC3(C)C)c2C4(C35CCC5)CCC(=N4)N -MOL_01_019145,CNc1ccc(cc1)C(C2N)(C(N)c(c23)cccc3)N4CCN(CC4)c5cccc(C)c5C -MOL_01_019146,n1ncc(c12)c(O)n(CC(F)(F)F)c3c2ccc(c3)-c4ccc(cc4)N5CCNCC5 -MOL_01_019147,NC(N)CC1NCCn(c12)c3c(c2)cc(cc3)NCc4ccc(c(Cl)c4)NC(CF)CF -MOL_01_019148,Clc1ccc(cc1)N(N=2)C(=O)c(c23)cnc4c3=CC=C4 -MOL_01_019149,c1cccc(n2)c1c(c(c23)CCC3)C(N)CCc(n4)cn(c45)cccc5 -MOL_01_019150,Cc1cccc(c1)C(=C(C2=3)C(=O)N=CN3)C(=N2)C(=O)c4ccccc4 -MOL_01_019151,CC(=O)Nc1ccc(CN)cc1CCC(C)CN(CC2)CCC23Cc4c(C3)cc(Cl)cc4 -MOL_01_019152,NCc1cccc(CN)c1C2CCCC(=N)N2Cc3cccc(c3)N4CCCCC4 -MOL_01_019153,CC(N)Cc1ccc(CC(C)N)c(c12)cc(cc2)CCCNc3cccnc3 -MOL_01_019154,NCc1ccc(cc1)CCNC(=N)CN(C(=N)N2)C(=N)C23c4c(CC3)cccc4 -MOL_01_019155,CC(C)(C)C1(C)C(N)=NC(C)(CC1)c2nc(ccc2C)Nc3ncccc3CN -MOL_01_019156,CCC(C)Nc1nccc(n1)N(C(=O)CC2(C)C)C2c3ccccc3 -MOL_01_019157,CCCNCC(N)N1N=C(c(c(n2)N)cc(c23)cccc3)CC1c4ccccc4 -MOL_01_019158,c1cccc(c12)C=c3c(N2C)nc(nc3=C)NCCCCCCCC -MOL_01_019159,CC(O)c1ccc(nc1)Cc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_019160,CC(=N)CCc1cccn(c12)c(c(C)c2C(=N)C(=N)N)CC3CCCCC3 -MOL_01_019161,Cc1cccc(C)c1NC(N)CCC(N)c2cc(nc(c23)cccc3)-c4cccnc4 -MOL_01_019162,CCCC(=O)c1cc(c(C)nc1C)-c2nnc(o2)CCC(=O)Nc3ccc(F)cc3 -MOL_01_019163,Cc1ncccc1Cc2ncnc(c2C)N(C34)C5CC(C3)N(C(C5)C4)C(=O)CCC(C)C -MOL_01_019164,c1cccc2c1c(cccc3)c3C24NC(=N)N(C4)CC5CCN(C5)Cc6ccc(NN)cc6N -MOL_01_019165,C1CCCc(c12)n3c(c2)nc(cc3N)CNC(N)c4ccc(cc4)NC(N)c5ccccc5 -MOL_01_019166,COc1ccc(cc1OC)-c2cc(C(C)(C)C)nc(n2)CCC(=O)N(C)Cc3cnn(C)c3C -MOL_01_019167,NC1CC(CN1)CCc2nc(cc(c23)nccc3)-c4ccc(C(F)(F)F)cc4 -MOL_01_019168,Cc1ccc(cc1)CNC(=CC(=C)CC2C)C23Cc4c(C3=C)c(CN)cc(c4Cl)CN -MOL_01_019169,NOc1ccc(cc1)-c(n2)ccc(n23)nnc(c3=O)Cc4ccc(Cl)cc4 -MOL_01_019170,c1ccccc1C=2C(=NC(C23)=NC=NC3=O)C(=O)c4ccc(O)cc4 -MOL_01_019171,c1ccccc1-n(c(c23)cccc3)c(=N)c(c2C)C(=N)NCCCCCCN -MOL_01_019172,Cn1nc(N)c(c12)C(C(=C(C2)N)CN)c3ccccc3 -MOL_01_019173,NCC(=C)c1cc(cc(c1)C(=C)CN)NC(=C)CN(C2=C)N=C(C(=C23)CCCC3)c4ccccc4 -MOL_01_019174,Fc1ccc(cc1)C(=C)CN2C(=C)N(C(=C)c(c23)cccc3)c4cc(CN)c(CN)c(c4)CN -MOL_01_019175,C1CCc(c12)cc(NC)c(c2)CCC(O)N3CC=C(CC3)n4c(C)nc(c45)cccc5 -MOL_01_019176,Nc1ncc(cc1)/C=C/c2c(ncnc2CC)N(CC3)CCC34CCN(C(=O)C)CC4 -MOL_01_019177,CCCC(O)C1CCN(CC1)C(O)Cn(c2O)nc(CC)n(c23)c4c(c3)ccc4 -MOL_01_019178,CC1CN(CCC1)CC(=C)NC(C=C2C)=c(c23)c(=C)nnc3C -MOL_01_019179,NCc1c(CN)c(C)cc(c12)C(C)c3c2nccc3C -MOL_01_019180,c1ccc(c12)n(cc(c2N)C(C)N)Cc3ccc(cn3)-c4cccnc4 -MOL_01_019181,CC(C)CNC(=N)C(=C(N1)C)C(N(C=12)C(=N)CCC2)c3ccc(cc3)NCc4ccccc4 -MOL_01_019182,CC1CC(C)CN(C1)C(=N)c2nn(c(=N)c(c23)cccc3)-c4cc(CN)cc(c4)CN -MOL_01_019183,c1ccccc1C(C)CNC(=N)CN(C(=N)N2)C(=N)C23c4c(CCC3)cccc4 -MOL_01_019184,NNc1ccc(cc1)NC(=C(C(C)C)C(N)C2N)c(c23)ccc4c3CCCC4(C)C -MOL_01_019185,CC(C)(C)c1ccc(cc1)-c2cnn(c23)c(O)nc(n3)CCc4nc(O)nc(O)c4Cl -MOL_01_019186,COc1cccc(c1)C(C(=O)N=2)=C(O)C(C23)=C(C=C3)c4ccccc4 -MOL_01_019187,NCc1ccc(cc1)N(C(=C)c(c23)cccc3)C(=N2)CCn(c4=C)c(=C)c(c45)cccc5 -MOL_01_019188,Cc(c1)c(C)cc(c12)cc(C)c3n2c(nn3)CCC(O)NCc4ccco4 -MOL_01_019189,c1ccccc1CC(C2)=C(N(C23)C(=O)C3C(C)C)C(=O)OCc4ccccc4 -MOL_01_019190,NCCCNC(O)c(c1)ccc(c12)c3n(n2)c4c(CC3)cc(Cl)cc4 -MOL_01_019191,CCC(CN)c1ccc(cc1)-c2c(C)ccc3=NC(=N)C(C4=c23)=CC=C4 -MOL_01_019192,C=1N=NC(=O)C(C12)=C(C)N=C2c3ccccc3Cc4ccccc4 -MOL_01_019193,Cc1ccc(nc1)C2CC2CCc3nc(C)ncc3-c4cc(CN)c(=O)n(C)c4C -MOL_01_019194,C=C(C1)NC(=C)C12c3c(cccc3)C(=C)N(C2=C)Cc4ccc(CN)cc4 -MOL_01_019195,NOc1cc(N)ccc1C(N=2)=NC(=O)C(C23)=C(N=C3)c4ccccc4 -MOL_01_019196,C=C(C)Nc(n1)cn(c12)cc(cc2)-c3cnc(N)c(n3)CCC -MOL_01_019197,CCCC(O)Cn(c1O)cnc(c12)cc3c2CCC3 -MOL_01_019198,CC(=O)Nc1ccc(cc1)-c2ccnc(c23)CC(C3)C(=O)Nc4ccc(CN)c(c4)CN -MOL_01_019199,Cc(n1)ncc(c12)c(ccc2)N3CCN(CC3)CCc(c4)ccc(c45)CCC(N5)=N -MOL_01_019200,CCCn(c1O)c(O)nc(c12)nc(n2)-c3ccc(cc3)OCC(O)NCCc4ccccc4 -MOL_01_019201,CN1C(=C)N(C)C(=C)c(c12)c(c(cn2)C)NCc3ccncc3 -MOL_01_019202,C1CCCCC1NC(=N)C(c2ccccc2)N3C(=N)Cc(c34)cc(cc4)CN -MOL_01_019203,c1ccc(c12)c(nn(c2N)C(C)C)-c3ccc(cc3)CCCCN4CCCC4CCN -MOL_01_019204,n1cnnn1CC(C)N(C=N2)C(=C)c(c23)cc4c(c3)C(=C)N(N=N4)C(C)Cn5cnnn5 -MOL_01_019205,C1CCCCC1N(C2)C=CC(N23)=C(CN)C(CC3=N)c4c(F)cccc4Cl -MOL_01_019206,CNc1cccc(c1)N(C(N)N2C)C(N)C23CCN(CC3)Cc4ccc(cc4)-c5cccc(c5)CN -MOL_01_019207,Clc1ccc(cc1)C(=O)NCC2CC(=O)N(C23)c4c(C=C3)cc(cc4)N5CCCCC5=O -MOL_01_019208,n1cccc(c12)ccc(c2N)C(c3c(NC)c(NC)c(cc3)NC)Nc4nc(C)c(Cl)cc4Cl -MOL_01_019209,CNc1cc(CC)c(cc1CC)-c(c2CO)nc(n23)cccc3 -MOL_01_019210,Cc1ccc(cc1)C(=N)c(c2=N)cn(c(c23)nc(C)cc3)CC(=N)NC4CCCCC4 -MOL_01_019211,Clc1cc(ccc1)-c2cc(CN)c(C)nc2CCC(c3ccc(CN)cc3)c4cncn4C -MOL_01_019212,CN1CCN(CC1)C(=C)C2=CN(C(=C)c(c23)cc(CN)c(c3)CN)c4ccc(cc4)CCC -MOL_01_019213,C=C(N)c1cc(F)cc(c12)N(C)N(C2=C)C3CCNCC3 -MOL_01_019214,C1CCC(C12)N=Nc3c(C2=N)nn(c3N)Cc4ccc(Cl)cc4 -MOL_01_019215,OCC/C=C/c1nc(-c2ccc(F)cc2)c(-c3ccncc3)n1/C=C/c4ccccc4 -MOL_01_019216,Nc(n1)c(N)n(c12)cc(C(=N)N)c3c2CC(CC3)c4ccccc4 -MOL_01_019217,Cc1cccc(c1)C(N)c2cnc(-c3ccccc3)n2C(N)(N)c4ccccc4 -MOL_01_019218,CCCCCn1c(=N)n(CC(=N)NC(C)(C)C)c(=N)c(c12)cccc2C -MOL_01_019219,CCC1(C=N)C=C(CC1C)n2cnc(c23)c(O)nc(n3)N -MOL_01_019220,C1C(C)(C)C=Cc(c12)c(CN)ccc2C3=NN(C(F)C(C)C)C(C3)c4cc(CN)c(CN)c(c4)CN -MOL_01_019221,c1cccc(c12)cccc2C(N)c3cn(c(c34)ccc(c4)N)CC5CCNCC5 -MOL_01_019222,Cc1c(C)ccc(c12)N=C(N)NC2(C(C)(C)C)CCc3cccnc3 -MOL_01_019223,c1ccncc1NC(N)C(N)c2cc(n(c23)ccc(c3)NC)Cc4ccc(Cl)cc4 -MOL_01_019224,NCC(CC1)n(c12)c(c(c(n2)=O)CC)Cc3ccccc3 -MOL_01_019225,c1cccc(c12)c3c(c2)c(C)nn(c3N)CCCC(N)Nc4ccccc4C(F)(F)F -MOL_01_019226,Cc1cnc(o1)CCc2nc(N)nc(c23)ccn3Cc4ncccc4CN -MOL_01_019227,NC(=N1)CCC12C3(CCCC3)CCc4c2cc(cc4)-c5cncnc5 -MOL_01_019228,NCc(c1)c(CN)cc(c12)c(cn(c2=N)CC(C)C)C(=N)N3CCN(CC3)c4cccc(Cl)c4 -MOL_01_019229,c1ccccc1-c(c2)ccc(c23)c4c(c3=C)c5c(cc(cc5)NC)c(=C)n4CCCN -MOL_01_019230,Cc(c1)ccc(c12)c(CCCN)c(nc2N)-c3ccc(Cl)cc3 -MOL_01_019231,C=C(N)CN(C1=C)C=Nc(c12)nc3n2CCC3 -MOL_01_019232,CNc1nc(C)ccc1CC(C)C(=O)N2CCc(c23)cccc3 -MOL_01_019233,COc1ccc(OC)c(c1)CCNC(O)Cn(c2O)nc(C)n(c23)c4c(c3)ccc4 -MOL_01_019234,OCc1ccc(cc1)CCc2cn(nn2)CCCN(C(O)C3O)c(c34)ccc(F)c4 -MOL_01_019235,C1CCCCC1N2C(=C)C=Cc(c23)cnc(n3)Nc4ccc(cn4)N5CCNCC5 -MOL_01_019236,CCn1c(C)cc(c1C)C(=N)N2CC(C(C)=N)C(C2)c3ccccc3C -MOL_01_019237,c1ccccc1CC(C(=O)C)NC(=O)C(CCC)NC(=O)Cc2ccc(c(NF)c2)NC(=O)C -MOL_01_019238,Cc1nn(C)c(c12)C(=C)N(C)C(=N2)Nc3cc(CC)ccc3CC -MOL_01_019239,Cc1ccc(cc1)-n2c(CCC(=O)OC(C)C)nnc2-c3ccco3 -MOL_01_019240,CCNc1cc(cc(F)c1N)C2C(C(N)CCC3)=C3N(C)C(=C24)CCCC4N -MOL_01_019241,Cc(n1)cc(C)n(c12)nc(n2)CCN(C3O)C(O)c(c34)cccc4 -MOL_01_019242,C=CC1=C(C)C(N)C=C(C12N)c3c(CC2)c(C)c(N)cc3 -MOL_01_019243,c1cccc(c12)n(CCC)c3c2cnn(c3=N)CC(=N)N4CCC(C)CC4 -MOL_01_019244,O=C(C)NC(C1)=NN(C(=O)C)C1(CC(=O)OCC)c2ccccc2 -MOL_01_019245,C=C(C)Nc(n1)cn(c12)cc(cc2)-c3cnc(N)c(n3)CC -MOL_01_019246,CC(N1)CCc(c12)cc(cc2CN)-c3cccnc3 -MOL_01_019247,C=1C=CC(C12)=c3c(=NC2=N)ccc(C)c3-c4ccc(cc4)CNC(C)C -MOL_01_019248,Clc1ccc(cc1)NC(=N)C(C)(C2)Cc(c23)nccc3-c4cccc(c4)C(=N)N -MOL_01_019249,CC1(C)CCC(C(=C)N)N1C(=C)c2ccc(N(C3)CC3(C)C)c(n2)CCC4CC4 -MOL_01_019250,c1ccccc1-n2nc(N)c(c23)C(CCC(N3)=N)c4ccc(Cl)cc4 -MOL_01_019251,C1CCCCC1(CN)NC(=O)C(C)CC2=Nc(c3C(N24)CC=N4)cccc3 -MOL_01_019252,CC(O)CNC(O)c(c(O)n1C)c(C)c(c12)ccc2 -MOL_01_019253,Cc1c(C)ccc(c12)NC(O)NC2(C(C)(C)C)/C=C/C3CC3 -MOL_01_019254,O=C1N=CN=C(C1=2)N=C(C2)c3cccc(c34)ccc(n4)Oc5ccccc5 -MOL_01_019255,Cc1cc(=O)oc(c12)cc(cc2)N3C(=O)CCC3c4ccc(O)cc4 -MOL_01_019256,CC(=O)Nc1cccc(c1)-c2ccnc(c23)CC(C3)C(=O)Nc4ccc(CN)nc4 -MOL_01_019257,C/C=C/C(CC(N)N)c1ccc(cc1)NCc(c2)ccc(n23)nc(n3)-c4c(C)cccc4C -MOL_01_019258,COc1ccc(cc1)N(C=2N)C(=C)N(C(C23)=NC=N3)c4ccc(OC)cc4 -MOL_01_019259,Cc(c1)cccc1C2N(c(nc3)ccc3C)C(N)c(c24)cc5c(c4N)cccc5 -MOL_01_019260,Clc(c1)ccc(c12)C=C3C2=NC(=NC3=O)CNc4cc(O)cc(O)c4 -MOL_01_019261,c1cccc(c12)c(=N)c(cn2C)C(=N)Nc3ccc(c(C(F)(F)F)c3)-c4cccnc4 -MOL_01_019262,Cc1ccccc1-c2nc(ccc2NN)C(=N)NC(CC(=N)N)c3ccccc3Cl -MOL_01_019263,CC(C)c1nc(c2n13)c(N)nc4c2c(cc3)cc(CN)c4CN -MOL_01_019264,C1NCc(c12)cc3c(c2)c(cc(n3)C)N(CCC4)CC45CC(=O)N(C)C5 -MOL_01_019265,c1cccc(c12)n3c(n2)nnc(c3C)-c4ccc(CN)cc4 -MOL_01_019266,CC(=N)c(c1=N)cn(C2CC2)c(c13)cc(c(F)c3)N4CCNC(N)C4 -MOL_01_019267,c1ccncc1-c2c(CN)c(N)nc(c23)c4c(NC3)cccc4 -MOL_01_019268,NCc(cc1)cc(c12)c(cn2C)C(=NC3)CC34C5CCN(C4)CC5 -MOL_01_019269,CC(=O)Nc1cccc(c1)-c2ccnc(c23)CC(C3)(C)C(=O)Nc4ccc(Cl)cc4 -MOL_01_019270,Oc1ccc(cc1)-c2c(CN)c(nc(N)c2CN)CCc3coc(n3)-c4cccc(F)c4 -MOL_01_019271,c1ccccc1-c(c(c23)cccc3)c(CN)c(=N)n2CCCN4CCCC4 -MOL_01_019272,C1CCCc(n12)nc3c(c2C)nc(n3)-c4ccccc4 -MOL_01_019273,CCOC(O)c1cc(ccc1F)NC(C)(C)C(O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_019274,CNc1ccc(cc1NC)NC(=N)C(N2)Cc(c23)c(ccn3)-c4ccccc4Nc5ccccc5 -MOL_01_019275,Fc1cccc(c12)n(cc(c2=N)C(C)=N)Cc(c3)ccc(c34)NC(C4)=N -MOL_01_019276,CC(C)(C)NC(=C)C1CN(CCN1)c(n2)nc(N)c(c23)cc(CN)c(c3)CN -MOL_01_019277,n1cccc(c12)C(N)N(c3c(C2)ccc(c3)C)CC(N)NCc4cccc(Cl)c4 -MOL_01_019278,NCc1ccc(cc1)-c2cc(=N)n(Cc3cccnc3)nc2-c4ccc(CN)cc4 -MOL_01_019279,c1cccc(c12)c3c(c(N)n2CC)cc(c3)C(N)N(CC(C)C)CC(C)C -MOL_01_019280,C1CC(C)C(N12)C(=C)N(C2=C)c3ccc(CN)c(C)c3CN -MOL_01_019281,CNc1cccc(c1NC)CNC(N)Cn(c2N)nc(C)c(c23)cc4c3cccc4 -MOL_01_019282,Clc1ccc(cc1)C(C(=N)NC(C)(C)C)N2C(=N)Cc(c23)cc(cc3)CN -MOL_01_019283,Cc1cc(C)cc(c1)NC(O)c(c2O)cnc(n23)cc(n3)N4CCCC4 -MOL_01_019284,Cc1cc(C)cc(c1)N(CCCN)C(C)CCC2=Nc(c3C(N24)CC=N4)cccc3 -MOL_01_019285,CCCC(O)C1=C(C)N(C)C(C)=NC1c2cc(CN)ccc2CN -MOL_01_019286,N=C1NC(=N)NC12CC2c(n3)ccc(c34)cccc4CCc5ccccc5 -MOL_01_019287,ClCCCc(c1)cc(c12)nc(O)n(c2)Cc3cn(nn3)-c4ccccc4F -MOL_01_019288,C1CC1c(n2)cc(n23)nc(cc3O)COC(O)c4ccccc4NC(O)c5ccc(Cl)cc5 -MOL_01_019289,c1cccc(c12)c3n(cc2)c(cc3C(N)NCC)C(N)c4cc(NC)c(NC)c(c4)NC -MOL_01_019290,NCc1cccc(c12)CCc3c2ccc4c3C(N)=CC(N4)(N)N -MOL_01_019291,CNc(c1)ccc(c12)c3n(CC2)cc(CNC(N)NC(C)C)c3CNC(N)NC(C)C -MOL_01_019292,CCNc1ccnc(c12)cc3c2ccn(c3N)-c4ccc(Cl)cc4 -MOL_01_019293,NCc1cccc(c12)c(=N)c(cn2CCCCC)C(=N)NC34CC5CC(C3)CC(C5)C4 -MOL_01_019294,C=1C=CC(C12)=c3c(=NC2=N)ccc(C)c3-c4ccc(cc4)CCCN -MOL_01_019295,CCC(C1)CCc(c12)ccc3c2n(c(n3)N)CC(CC)CN(C)C -MOL_01_019296,c1cc(N)nc(c12)nc(cc2C)-c3cccc(N)c3 -MOL_01_019297,c1cc(N)cc(c12)c(c(N)n2CC(C)=N)-c3ccnc(c34)c(Cl)ccc4 -MOL_01_019298,C1CC1C(N)Nc2nccc(n2)N3C(=O)CCC3Cc4ccccc4 -MOL_01_019299,CC(O)NCCNc(n(C)c1O)nc(c12)cc(c2)-c(c3)ccc(c34)n(C)cc4 -MOL_01_019300,NC(N)NCCCNc1c(nc2c3cccc2)c3n(C)c(c14)cccc4 -MOL_01_019301,Clc1cccc(c12)nc(N)n2C3CCN(CC3)CC(C4)CCc(c45)cccc5 -MOL_01_019302,c1ccccc1C2C(CC)N(C(=N)c3ccncc3)C24CN(C4)C(=N)Cc5ccccn5 -MOL_01_019303,CC(C)Cc1nn(C)c(=O)c(c12)c(CCCCO)n(c2)Cc3ccnc(Cl)c3 -MOL_01_019304,CCCC(=O)C(N=1)=Cc(c12)ccc3c2=Nc4c3ccc(Cl)c4 -MOL_01_019305,c1cccc(c12)N(C(=N)C2(C)C)CCN3CCC(CC3)C(=N)c4ccc(F)cc4 -MOL_01_019306,C1=CCC(N)=NC1(C)c2cc(ccc2C)NC(C)c(n3)cc(n34)NCC4 -MOL_01_019307,C1CCCCN1c(cc2N)nc(c23)c(ccc3)-c4ccnc(c4)-c5ccncc5 -MOL_01_019308,CC1C(=O)Nc(c12)ccc(c2)C3CCC(=O)N=N3 -MOL_01_019309,Fc1ccc(cc1)C=2N=Cc(c23)nc(nc3=C)-c4ccc(N)cc4CC -MOL_01_019310,NC(N1)CCc(c12)cc(cc2NC)-c3cccnc3 -MOL_01_019311,Clc1ccccc1C(C(=C23)C(=N)CC(C)(C)C2)C(C(C3)=N)NC(=N)c4ccccc4 -MOL_01_019312,C=1C=CC(C12)=c3c(=NC2=O)ccc(C)c3-c4ccc(cc4)CCN -MOL_01_019313,C1CC(N)=NC12C3(CCC3)C(C)(C)Cc4c2cc(cc4)-c5cc(CN)ccc5F -MOL_01_019314,Cc1ccccc1Nc(n2)cc(n23)nc4c(c3O)ccc(c4)C(O)NCc5ccccc5 -MOL_01_019315,C=C(C)CC(=C)NC1CCc(cc(CN)c(CN)c2CN)c2C(C1=3)=CC=C(C(C3)=C)CN -MOL_01_019316,CCNC(N)c1c(CC)nc(c(c1C)C(N)NCC)-c2ccccc2 -MOL_01_019317,n1nnc(c12)c(O)n3c(n2)CC(C3)c4ccccc4 -MOL_01_019318,CC1CCN(C1)Cc(c2)ccc(c23)Cc4c5c3nnc(N)c5ccc4 -MOL_01_019319,NCc(cc1)cc(c12)cc(C(=N)CCC)n2C3CCN(CC3)Cc4ccccc4 -MOL_01_019320,CCC(=C)Nc(c1)ccc(c12)nc3c(n2)N(C)C(=C)N(C)C3=C -MOL_01_019321,c1ccccc1C(C)Nc2nccc(n2)N(C(=O)CC3)C3(C)c4ccccc4 -MOL_01_019322,CN(C1)CCC(C1=2)=C3C(C2)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccc(F)cc5 -MOL_01_019323,CNc1cccc(c12)nc(c(c2N)C(N)NCC)-c3ccc(C(Cl)(Cl)Cl)cc3 -MOL_01_019324,CC1=NN=c(c12)nnc=3c2N=C(N3)CCCCC(O)O -MOL_01_019325,C=CC(C)Cc1cc(=C)c(cc1=C)Nc2ncnc(c23)cc(c(c3)CN)CCCCN4CCCC4 -MOL_01_019326,NC/C(C)=C/Cc1c(N)ccc(c12)C3C(CN2)c4c(N3)cc5c(c4)NCN5 -MOL_01_019327,COc1cccc(OC)c1C(CC2)=Nn(c23)c(nn3)-c4ccccc4O -MOL_01_019328,NCc(c1)c(CN)cc(c12)c(N)nc(n2)N(C)CCC(c3ccccc3)c4ccccc4 -MOL_01_019329,Cc1ccccc1NC(O)c(c2O)cnc(n23)cc(n3)N4CCCC4 -MOL_01_019330,CC1(C)C(=O)Nc(c12)cc(C)c(c2)C3CCC(=O)N=N3 -MOL_01_019331,NCCn1ncc(c12)c(ncn2)CCc3ccccc3 -MOL_01_019332,c1ccccc1C2(CCC)NC(=N)N(C2=N)CC(=N)N(C)Cc3c(F)cccc3Cl -MOL_01_019333,CCCC(=C)c(n1)nc(n12)c(C)nc3c2cc(N)c(Cl)c3 -MOL_01_019334,CC(O)c(c1C)cnc(c12)nc3c(c2)CCC4N3CCCC4 -MOL_01_019335,CCn1cc(Cl)c(n1)C(O)Nc(c2)ccc(c23)N(C)C(O)C3(C)C -MOL_01_019336,C1CC1NC(C)CCc2n(CC)c(nn2)-c3ccccn3 -MOL_01_019337,C1NCc(c12)ccc(c2)NC(O)CCC3=Nc(c4C(N35)CC=N5)cccc4 -MOL_01_019338,c1cccc(c12)nc(n2C)-c3cc(C)n(c3N)-c4ccccc4 -MOL_01_019339,n1cccc(c12)c(ccc2C(=C)N)NCC3(CCNC3)C(=C)Nc4ccccc4 -MOL_01_019340,Cn1cc(cn1)C2CCC(O)Nc(c23)n(nc3O)C4CCOCC4 -MOL_01_019341,c1ccccc1C2(CC(C)(C)N)CCN(C(N2)=N)C(C)c3ccc(cc3)-c4ccc(cn4)C(=N)N -MOL_01_019342,CCCOc1ccc(cc1)-c2ccc(c23)ncn(c3O)Cc4ccc(C(O)O)cc4 -MOL_01_019343,NCc(c1)ccc(n12)nc3c(c2C)ccc3 -MOL_01_019344,NCc1ccc(cc1)C(C(=C)N2CCN)=Cc(c23)c(CN)cc(c3)CN -MOL_01_019345,CCCN(CCC)c1cccc(c12)nc(c(c2)C)-c3c(CN)cc(CCN)cc3CN -MOL_01_019346,CCCc(c1)ccc(c12)C3C(=C(C2)N)C(=N)N(C(C3)=N)Cc4ccncc4 -MOL_01_019347,Cc1ccc(cc1)-n(c2N)cnc(c23)ccc3C -MOL_01_019348,CC1=CCC(N)=NC1(C)c2cc(ccc2C)NC(O)c3ccc(cn3)CN -MOL_01_019349,CCc1cnc(cn1)C(C)Nc(c2)ccc(CC3)c2C4(C35CC5)CCC(=N4)N -MOL_01_019350,c1ccnc(c12)c(cc(c2)C(C)(C)C(C)(N)N)-c3cccc(c3)-c4ccc(cc4)CCC(N)N -MOL_01_019351,CNc1ccc(cc1)C2(N)NC(N)C(c(c3)ccc(c34)NCN4)=C2Cc5cccc(c56)cccc6 -MOL_01_019352,C1CC1CNC(=N)c(c2)ccc(c23)c4n(n3)c5c(CN4)cccc5 -MOL_01_019353,NCc1cccc(CN)c1C2CC(C)C(=N)N2Cc3cccc(c3)N4CCCCC4 -MOL_01_019354,Nc1c(N)cc(c12)ncn3c2nc4c(c3N)cccc4 -MOL_01_019355,NCCC(=C)C1=C(N)NC(CN)N(C1c2ccc(C)cc2)CC(=C)c3ccc(Cl)cc3 -MOL_01_019356,Cc1ccc(o1)-c2c(CN)c(C)nc(C)c2C(O)Nc3ccccc3C -MOL_01_019357,Cc1ccc(C)c(c1)N2CCN(CC2)C(C3N)(C(N)c(c34)cccc4)c5ccccc5 -MOL_01_019358,c1nnnn1-c2ncc(cc2)CC(=C)N(C3)CCN(C34)CC(CC4)c5cncc(NC)c5C -MOL_01_019359,c1cccc(c12)cc(c(c2)O)-c3nnc(n3C)CCC(=O)NCc(c4)ccc(c45)OCO5 -MOL_01_019360,C1C(C)C(C)(C)Cc(c12)cc(NC(=O)C)c(C(=O)N)c2N3CCCCC3 -MOL_01_019361,CCCCn1c(ccc(c2)C)c2c(c13)c4c(cc3)C(O)NC4O -MOL_01_019362,Cc(c1)ccc(c12)C=C3C2=NC(=NC3=O)c4ccccc4Cl -MOL_01_019363,NCCCN(C=CC1=C)c(c12)nc(nc2N)CC3CCCCC3C -MOL_01_019364,CN(C)CC(N=1)=NC(=O)C(C12)=Cc3c2cc(cc3)-c4cncnc4 -MOL_01_019365,Fc1ccc(cc1)C(=N)Nc2c(N)nn(c2N)C(=N)c3ccc(F)cc3 -MOL_01_019366,CCCC(=C)N1CCC(C1)Cc2ncnc(c23)CCN(C3)c4cnc(CC)c(c4)CN -MOL_01_019367,CC(C)(C)c1cnc(cn1)NC(O)c(c2)cc(c(c23)cc(o3)C)Cc4cnc(cn4)C(O)N(C)C -MOL_01_019368,NCc1ccc(c(CN)c1CN)-c2cc(Nc3ccccc3)nn2-c4ccc(F)cc4 -MOL_01_019369,CC(C)CCc1cccc(N)c1-c2cc(c(CN)c(n2)N)C3CCNCC3 -MOL_01_019370,NCc(c1)c(CN)cc(c12)C(=C)N(CC(C)C)C=C2C(=C)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_019371,Nc1ncc(cc1)/C=C/c2c(ncnc2CC)N(CC3)CCC34CCCCC4 -MOL_01_019372,Fc1ccc(cc1)C(C)CN(C)Cc(c2)cc(c23)c(N)c(cn3C)C(N)NCc4ccc(F)cc4 -MOL_01_019373,CCC1(CC1)CCCc2cc(N)cc(c23)nc(C(C)C)nc3N -MOL_01_019374,CC(C)(C)n1ncc(c12)c(=N)n(cn2)Cc3ccc(cc3)C(=N)c4ccccc4 -MOL_01_019375,CCc1c(CC)cc(cc1CC)C2CC(=NN2C(C)O)Cn3c(NO)cnc3C -MOL_01_019376,C=C(N)c1ncn(c12)C(=C)N(N=N2)c3ccc(CC)cc3 -MOL_01_019377,C1CCCCN1C(N)CCCN(C2N)c(cc(Cl)cc3)c3Cc(c24)nccc4 -MOL_01_019378,O=C(C=1)N=c(c12)ccc(c2)C(C)c3ccn(n3)-c4ccc(cn4)OCCO -MOL_01_019379,Cc1ccc(C(O)O)cc1OCCCCOc2ccc(c(O)c2C)C(O)CC(C)C -MOL_01_019380,COc1ccc(cc1)CNC(O)c(c2O)cnc(n23)cc(n3)N4CCOCC4 -MOL_01_019381,CCC(=O)C1CN(C(=O)C)C(=O)N1C(=O)CCc2ccccc2 -MOL_01_019382,NCc(c1)ccc(c12)CC(C)(C)C(=N)C2(F)C(=N)Nc3ccccc3 -MOL_01_019383,Cc1cc(O)nc(c12)cc(cc2)N3C(O)CCC3c4ccccn4 -MOL_01_019384,CCCC(O)c1c(C)nc(-c2ccccc2)nc1NC(O)CC -MOL_01_019385,c1cccc(c12)c(cc(=O)n2CC)CCC(=O)N3CCN(CC3)c4ccccc4F -MOL_01_019386,CC(C)CC(=N)C(=C(C)N1)C(c(cc2Cl)ccc2)C(=C13)C(=N)CC(C3)c4ccc(CN)c(c4)CN -MOL_01_019387,COc1ccc(cc1OC)Cc(c2O)nnc(n23)cc(n3)CCC(O)Nc4ccccc4 -MOL_01_019388,C=C(N)c1ncn(c12)C(=C)N(N=N2)Cc3ccc(CC)c(c3)CC -MOL_01_019389,Fc1cccc(F)c1C(=N)c(c2)ccc(n23)nc(N)c3C(=N)c4ccccc4CN -MOL_01_019390,CNCCCN1C(CC(C)(C)CC2N)=C2C(C(=C13)C(N)CC(C3)(C)C)c4ccc(NC)c(c4)NC -MOL_01_019391,c1ccnc(N=N2)c1n(ccc3)c3C24CNCNC4 -MOL_01_019392,C=C(C)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(n3)N4CCCC4 -MOL_01_019393,c1cccc(c12)c3c(c(=N)n2C)cc(n3C)C(=N)Nc4cccc(c4)CN -MOL_01_019394,CN(C)CCCN(C1=O)C(=O)N=C(C1=2)c3c(N2)cccc3 -MOL_01_019395,NCC(=C1C)C(=O)N=C(C1=2)C=C(NC)C2c3ccccc3 -MOL_01_019396,n1ccc(c12)c(cn(C)c2O)-c3cc(NN)ccc3Cc4ccccc4 -MOL_01_019397,Cn1cc(cn1)C2=Nc3cc(cc(c3c24)c(=O)nnc4)NC(=O)C(N)C5CCCCC5 -MOL_01_019398,NCc(c1)ccc(CCC2)c1C23c4n(CCC3)cnc4 -MOL_01_019399,Cc1nc(C)c(C(=O)CN)c(c1NO)-c2ccccc2C(C)(C)C -MOL_01_019400,c1ccccc1C(CC(C)N)c(c2N)c(N)nc(c23)c(N)ccc3 -MOL_01_019401,NCCC(=O)C1=C(N)NC(=O)NC1c2cc(CN)c(cc2Cl)CCc3ccccc3Cl -MOL_01_019402,CC1CCN(C1)CC(c2ccccc2)n3cccc(c3=N)-c4c(CN)cccc4CN -MOL_01_019403,Nc1ncc(cc1)/C=C/c2c(ncnc2CC)-c3ccc(c(C)c3)C(O)N4CCC(O)CC4 -MOL_01_019404,NOc1ccc(cc1)C2CCCC(=O)N2CCCCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_019405,NCc1ccc(cc1CN)-c2ccc(CN)c(n2)CCC(N)NCCc3ccccc3 -MOL_01_019406,n1ccnn1-c2ccc(C)cc2C(C)Cc3cc(cnc3N)-c4cnnn4C -MOL_01_019407,C=C(C)c1ccccc1-c2ccc(cc2)Cn3c(CCN)nc(C(C)(N)N)c3C(=C)C -MOL_01_019408,CC(C)c1nccc(n1)Cc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_019409,C1CCCc(c12)c(O)nnc2Cc3ccc(C)c(c3)N4CCNC4O -MOL_01_019410,Cc1ccc(cc1C)C2=NN(C3=NC(N)CC3)C(C2)c4ccccc4C -MOL_01_019411,Cn1ncc(Cl)c1-c2cc(ccc2CN)NC(=O)Nc3ccc(Cl)cc3 -MOL_01_019412,Cc1ccc(cc1)NC2=C(C(=N)CN)C(C(C(=C2)C)C(=N)CN)c3ccc(CN)cc3 -MOL_01_019413,Nc1nnnn1C(=C)c(n2)cn(c23)c4c(CC3)cccc4 -MOL_01_019414,Nc1c(N)nn(c12)c(cc(n2)N)N3CCN(CC3)C4CC=CCC4 -MOL_01_019415,CC(C)=CCC/C(C)=C/Cc1c(N)cc(N)c(c12)c(N)c(cn2)-c3ccc(N)cc3 -MOL_01_019416,C1CC1c(n2)cc(n23)nc(cc3N)CNC(N)c4ccccc4NC(N)c5cccc(F)c5 -MOL_01_019417,CCc1ncnc(N(CC2(C)C)CCC2)c1/C=C/c3ccc(N)nc3 -MOL_01_019418,Cc1cccc(c12)N(CCN(C)C)C(=N)C(CC(C)=N)C(C2)c3ccc(CN)cc3 -MOL_01_019419,CC(=O)Nc1cccc(c1)-c2ccnc(c23)CC(C3)C(=O)Nc4cccnc4 -MOL_01_019420,c1cccc(c12)CCN2C(O)CCc3n(C)c(nn3)Cn4c(O)cc(c45)cccc5 -MOL_01_019421,CC(C)C(N1)Cc(c12)c3c(cc2N)ccc(n3)N -MOL_01_019422,COc1ccc(cc1)C(=O)C(C=2N)=CC(C23)=NC(=O)C(=C3)C(=O)O -MOL_01_019423,Nc(c1)c(N)cc(c12)n3c(n2)c(CN)c4c(c3C)CCCC4 -MOL_01_019424,CCCNc1ccc(cc1NCC)C2C(C(=N)CCC3)=C3N(CC(=N)N)C(=C24)CCCC4=N -MOL_01_019425,Cc1c(C)ccc(c12)cc(C)c3n2c(nn3)CCc4ccc(C(O)O)cc4 -MOL_01_019426,Fc1ccc(cc1)C(C)C(C)Nc2ccc(CCCN)c(c2)-c3ccnn3C -MOL_01_019427,Oc1ccc(cc1)-c2c(CN)c(nc(N)c2CN)CCc3coc(n3)-c4ccc(Cl)cc4 -MOL_01_019428,Cn1c(=N)n(C)c(=N)c(c12)n(cn2)CCCCCN(C3)CCc(c34)cccc4 -MOL_01_019429,CCc1ccccc1CCCNC(C)C(=O)N2CCCCc(c23)c(=O)n(C)nc3 -MOL_01_019430,c1ccncc1NC(=N)C(=N)c2cc(n(c23)cccc3)Cc4ccc(F)cc4 -MOL_01_019431,NCCN1C(=O)C(C)(C)Cc(c12)ccc(c2)C(=O)Nc3ccccc3CN -MOL_01_019432,c1ccccc1C(C(=N)NN)N(C)C(=N)c2cc(nc(c23)cccc3)-c4ccccc4 -MOL_01_019433,COc(c1)ccc(c12)C(=C(C2O)C(O)OCC)C34CC5CC(C3)CC(C5)C4 -MOL_01_019434,CN1N=C(CC)C(=CC1=C)c2cnc(C)nc2CCC3CC3c4ccc(cn4)CC -MOL_01_019435,c1ccccc1-c2nc(N)n(c2-c3ccccc3)CC(N)NCCc4ccccc4 -MOL_01_019436,CC(C)n1nccc1-c2ncccc2CCc3cnc(CN)cc3CN -MOL_01_019437,O=C(N1)CCc(c12)ccc(c2)-c3ccc(cc3F)N4CC(CC4=O)CNC(=O)C5CCC5 -MOL_01_019438,c1ccccc1-n(c(C)c2C(N)NCC)c(c23)ccc(c3)NC(N)c4ccccc4Cl -MOL_01_019439,c1ccncc1-c2cc(O)n(n2)C3CCN(CC3)C(O)C4(CC4)c5ccccc5 -MOL_01_019440,CC1CC(C)CN(C1)C(=O)Cn2c(nc(c23)cccc3)CCC(=O)N(C4)CCc(c45)cccc5 -MOL_01_019441,Cc1nn(C)c(c12)ncc(C(=C)N)c2Cc3cccnc3 -MOL_01_019442,Cc1ccc(cc1Cl)NC(O)CCc(c(c2)CN)nc(c23)C4CCN3CC4 -MOL_01_019443,c1ccc(C(C)O)c(c12)nc(c(C)c2C(C)O)Cc3ccc(Cl)cc3 -MOL_01_019444,c1cccc(c12)CC(C(N2)=N)(C(=N)OCC)N3CCN(CC3)Cc4ccc(Cl)cc4 -MOL_01_019445,C1CCNc(c12)c3c(nc2N)cc(cc3CN)CN4CC=CCC4 -MOL_01_019446,NCc1ccc(cc1CN)-c(cc(c23)nccc3)nc2CCC4CNC(O)N4 -MOL_01_019447,CNC(=O)COc(c1)ccc(c12)nccc2CC3(C(=O)O)CCC3 -MOL_01_019448,c1cccc(c12)c3c(c(N)n2CC)cc(c3)C(N)NCCCN4CCN(C)CC4 -MOL_01_019449,CCCN1CCN(CC1)CCCNC(N)c(c2)cc(c23)c(N)n(CC)c4c3cccc4 -MOL_01_019450,CCc1ncnc(N2CCC(C(C)(C)C)CC2)c1/C=C/c3ccc(N)nc3 -MOL_01_019451,NCc(c1)c(CN)cc(c12)N=CC3N(C2N)C=C(C3)c4cccc(C(F)(F)F)c4 -MOL_01_019452,C=C(C)c1cc(ccc1N)C(=C)c2c(C)c(CN)c(n23)cccc3 -MOL_01_019453,c1ccccc1-n(nc2C)c(c23)CCC(=N)N3CCCC(=N)NCc4ccc(cc4)OC(C)C -MOL_01_019454,Clc1ccc(cc1)N(C(=C)C2)C(=C)C23CN=C(C3)c4ccc(CN)cc4CN -MOL_01_019455,NCC(C(=C)C=1)=CC=C(C12)c3c(CCC2N(C)C=C)cc(CN)c(CN)c3CN -MOL_01_019456,C1CCCC1C2=NC(=C(C)C(=C)N2C)C(=C)NCc3ccc(C)cc3-n4cncn4 -MOL_01_019457,Cc1cc(C)cc(c1)Cc2ncnc(c2C)N3CCCC3CN -MOL_01_019458,CC(C)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(n3)N4CC=CC4 -MOL_01_019459,Cc1cccc(c1)-c2nc(N)nc(C)c2C(N)CCc3ccccc3 -MOL_01_019460,c1ccncc1Nc2c(nc3c4cccc3)c4n(C)c(c25)cccc5 -MOL_01_019461,NC1=NC=c(c12)cc3c(n2)=Nc4c3cccc4 -MOL_01_019462,NCc1ccc(cc1)C2C(=C)N(c3ccccc3)C2c4cc(CN)c(CN)c(c4)CN -MOL_01_019463,CC(C)NC(=O)c1ccc(cc1)C2CCC(=O)N2Cc3ccccc3 -MOL_01_019464,COC(O)c(n1)cc(O)c(c12)ccc3c2C(O)c4c3cccc4 -MOL_01_019465,CCc(n1)cc(n12)nc(cc2O)CCC(O)c3ccccc3NC(O)CCc4ccc(F)cc4 -MOL_01_019466,c1ccnc(c12)c(cc(c2)OC)NC(C)CCCNC(=O)C(N3O)=C(C)N(O)c(c34)cccc4 -MOL_01_019467,CCc1ccc(cc1)NC(O)c(c2O)cnc(n23)cc(n3)N4CCCC4 -MOL_01_019468,N1=NC(C)=C2C(=O)N=c(c3=C12)cccc3C -MOL_01_019469,c1cccc(c12)cc(C)c(c2C)-c3cc(c(CN)c(n3)C)-c4cc(CN)c(CN)c(c4)CN -MOL_01_019470,CCc(c1C)cc2cc(nc(c2c13)cc[nH]3)C(O)c4ccccc4 -MOL_01_019471,Cc1cnc(cn1)C(O)Nc2ccc(F)c(c2)C3(C)C=C(CC(=N3)N)c4ccccc4 -MOL_01_019472,NCC1C(=O)C=C2c(cccc3)c3C(=O)c(c4C12)cccc4 -MOL_01_019473,NCc1cc(CN)c(Cl)c(C2)c1C(=N)C23C(C)CC(=N)C=C3CCc4cccc(c4)CN -MOL_01_019474,c1ccccc1C(=N)c2n(C)ccc(c23)c4c(n3)cccc4 -MOL_01_019475,CNc1ccc(cc1)CCCNC(N)C(C)(N2)Cc(c23)c(ccn3)-c4cccc(c4)C(N)N -MOL_01_019476,c1cccc(c12)cnc(n2)C(=O)NC(C(=O)N3)NC(c(c34)cccc4)c5ccccc5F -MOL_01_019477,Nc(n1)nc(O)c(c12)Cc3c(=N2)c4c(cccc4)c=5c3Cc6c(N5)cccc6 -MOL_01_019478,NC(N=1)=NC(=O)C(C12)=NC=C2C(=O)c3ccccc3Cl -MOL_01_019479,NC(C1)N=CC1CCc(c(c23)cccn2)cc(c3)-c4cc(CC)c(C)cc4 -MOL_01_019480,Fc1ccccc1C(C(C)=N)N(C(=N)c2ccccc2)c3ccc(CN)cc3CN -MOL_01_019481,O1COc(c12)ccc(c2)-c3nc(cccc4)c4c(n35)cc(n5)C -MOL_01_019482,OC(O)CN1C(O)/C(CC1=C)=C/c2cc(c3n(c24)nnn4)ccc(c3)C -MOL_01_019483,CCc1ncnc(N(CC2)CCC2(C)C)c1/C=C/c3ccc(N)nc3 -MOL_01_019484,CCCC(=O)N1CCN(CC1)c(c(C)c2)cc(c23)nccn3 -MOL_01_019485,Cc1ccc(Cl)cc1N2CCN(CC2)C(C3N)(C(N)c(c34)cccc4)c5ccccc5 -MOL_01_019486,c1ccc(c12)n3c(c2)c(O)n(nc3CC)CC(O)NCCCN4CCCC4O -MOL_01_019487,NC(N)c1cccnc1CNc2cc(cc(c23)nccc3)-c(c4)ccc(c45)C(N)NCC5 -MOL_01_019488,NCc1cc(NN)ccc1Cc2ccccc2-c(n3)cn(c34)cccc4 -MOL_01_019489,CC1CC(C1)CCc2cc(N)cc(c23)nc(C(C)C)nc3N -MOL_01_019490,Cc1ccc(cn1)C2=NN(C(C)O)C(C2)c3cccc(Cl)c3C -MOL_01_019491,CNC(O)c(c1)ccc(NC2O)c1C23CCN(CC3)CC4CC4 -MOL_01_019492,Clc1ccc(cc1)C(C(C)=N)N(C(=N)c(c23)cc(N)cc3)C(C(=N)N2)c4ccc(Cl)cc4 -MOL_01_019493,N=C(N)c1cccc(c1)Cn2cc(C(=N)N)c(=N)c(c23)c(F)ccc3F -MOL_01_019494,C=c1nc(N)nc(c1=2)N=C(C2CN)c(c3)ccc(c34)CCC4 -MOL_01_019495,CCc1cc(CC)cc(c1)CN2C(=O)C(CC)C(=O)n(c23)ccc3 -MOL_01_019496,Cc(c1)ccc(c12)nc3c(ccc3)c(n2)N4CC=NCC4 -MOL_01_019497,n1cccc(c12)c(C)n(c2)-c3ccc(CN)cc3CN -MOL_01_019498,CCc1ncnc(N2CCC(CC)CC2)c1/C=C/c3ccc(N)nc3 -MOL_01_019499,CCc1ncnc(N2CCC(CO)CC2)c1/C=C/c3ccc(N)nc3 -MOL_01_019500,Nc1ccc(c12)c(C(O)O)nn(c2O)-c3ccc(C(F)(F)F)cc3 -MOL_01_019501,COc1ccc(cc1)-c2nnc(n23)CCC(=N3)c4cc(OC)ccc4OC -MOL_01_019502,Cn1cccc1C(O)N(CC2CCN)Cc(c23)cnn3C -MOL_01_019503,Cc1nc(C)c(cc1CN)-c(c2)ccc(n23)ncc3 -MOL_01_019504,Cc1cnc(cn1)C(=O)CC(c2ccccc2)C(=O)Nc3cc(C(F)(F)F)ccc3Cl -MOL_01_019505,CC(C)(O)CC1CCN(CC1)c2ncnc(CC)c2/C=C/c3ccc(N)nc3 -MOL_01_019506,C1CCCN1C(=O)C(NC(=O)CC(C)(C)C)Cc2ccc(cn2)CCc3ccccc3 -MOL_01_019507,C=CCCCC(N=1)=NC(=N)C(C12)=C(c3ccccc3)C(=N2)C(=N)c4ccccc4 -MOL_01_019508,c1cccc(c12)c3c(c2)c(C)nn(c3N)C(C)C(N)NC4CCCCC4 -MOL_01_019509,Fc1ccc(cc1)C(=O)Nc2n(ncc2C(=O)CCC)CCCC(=O)c3ccc(F)cc3 -MOL_01_019510,c1ccccc1CC(C(=C)C(=C)N)NC(=C)c2cccnc2N3CCC(C3)c4ccccc4 -MOL_01_019511,Cc1cc(C)c(C(C)C)cc1-c2cc(c(CN)c(n2)N)-c3cccc(c3)CN -MOL_01_019512,NCc1ccc(cc1)-c2nnc(n23)CCC(=N3)c4ccc(CN)cc4CN -MOL_01_019513,CCc1ccc(cc1)CNC(O)c(c2O)cnc(n23)cc(n3)N4CCCCC4 -MOL_01_019514,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)CCC(C)CNc4ncccn4 -MOL_01_019515,c1cccc(c12)c3c(c2=C)c4c(cc(cc4)NN)c(=C)n3CCN5CCCCC5 -MOL_01_019516,CCC(O)c1ccc(c(C)c1O)OCCCCOc2cccc(C(O)O)c2C -MOL_01_019517,NCc1ccc(Cl)cc1-c2c(=N)n(ccc2)C(CN3CCCC3)c4ccccc4 -MOL_01_019518,c1ccccc1C2=C(C(=N)OCC)C(NC(N2)=N)c3ccc(cc3)NC(=N)c4ccc(F)cc4 -MOL_01_019519,Cc1ccccc1C(CC(C)=N)NC(=N)c2ccc(CN)c(n2)-c3ccc(F)c(F)c3 -MOL_01_019520,CN(C)c1ccccc1CN(CC)CCCn(c2N)cc(c23)cc(OC)c(c3)OC -MOL_01_019521,NCC(=N)CN1C(=N)C(C)Cc(c12)cc(F)c(c2)N(C3=N)C(=N)C(=C34)CCCC4 -MOL_01_019522,NCc(c1)c(CN)cc(c12)ncnc2Nc3ccc(c(N)c3)CCc4ccccc4 -MOL_01_019523,Cn1cc(cn1)-c2cnc(cc2NC)Nc3cnc(CN)c(n3)CC4CCN(C)C4 -MOL_01_019524,CCCCc1ccccc1-c(n2)nc(C)c(c23)c(C)nn3C -MOL_01_019525,c1ccc(c12)n3c(c2)c(O)n(nc3CN)CC(O)N4CCCCC4 -MOL_01_019526,c1ccccc1CCC(=N)CC2C(=N)Nc(cccc3)c3c(n24)ccc4 -MOL_01_019527,O=C1CCc(c12)cccc2Cc3nc(ncc3C)Nc4ccc(cc4CN)C(=O)NC5CCN(C)CC5 -MOL_01_019528,C=CCNC(=N)CC1C(C(=N)NCC=C)=C(N)Nc(c12)ccc(c2)-c3cccc(c3)N(C)C -MOL_01_019529,n1cccc(c12)c(=N)n(CCC(C)C)c(=N)n2CC(=N)Nc3ccccc3 -MOL_01_019530,CCOC(O)c1cc(CN)c(nc1C(C)(C)C)N2CCN(CC2)C(O)Nc3ccc(C(C)C)cc3 -MOL_01_019531,CCC(CC)CCN1CNc(c12)c(C)n3c(n2)nc(c3)C(C)(C)C -MOL_01_019532,CCc(c1)cc(c12)cc3n2cnn(c3O)CC(O)N4CCCCC4 -MOL_01_019533,Cc1cc(ccn1)-c2cccnc2Nc3ccc(cc3)C(N)c(n4C)nc(c45)cccc5 -MOL_01_019534,N=C(O)c(cc1)cc(c12)N(C(=N)C(N=C2C)CC(C)C)CC(=N)NCCc3ccccc3 -MOL_01_019535,Cc1cc(ccc1)-c2c(CN)c(NCC)nc(n2)CCc3ccccc3 -MOL_01_019536,CN(C)c1ccc(cc1)-c2ccnc(c23)CC(C3)(C)C(=N)Nc4cccc(c4)N(C)C -MOL_01_019537,CCCc1ncccc1C(=O)CCC(=O)N2CCc(c23)cccc3 -MOL_01_019538,NCC(=C)c1cccc(c1)C(C2)=CN(C23)C(=C)c4c(N=C3)cc(CN)c(c4)CN -MOL_01_019539,NCc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C(Cl)=CC4 -MOL_01_019540,C1CCC1c2c(CN)c(C)c(cc2)-c3ncc(N)nc3CN -MOL_01_019541,COc1ccnc(c12)C(CCCC2)C(O)c3nnc(o3)C -MOL_01_019542,Nc1ncc(cc1)/C=C/c2c(ncnc2CC)-c3ccc(c(C)c3)C(O)N(C)CCCN(C)C -MOL_01_019543,c1ccccc1C(=N)N(C=Cc(c23)cccc3)C2(CN)Cc4ccccc4 -MOL_01_019544,Cn1cc(cn1)CNC2=CC(=NN(C)C2=C)CCC3CC3c4nn(C)c(c45)cccc5 -MOL_01_019545,CNc1ccc(cc1NC)-c2nn(-c3ccccc3)cc2CC(CN)C(N)(N)c4ccccc4 -MOL_01_019546,NCc(cc1)cc(c12)C(C(C)C(C2)(C)C)N(C3=O)C(=O)c(c34)ccnc4 -MOL_01_019547,c1cccc(c12)C(=O)C(n3cncn3)C(C2)c4ccc(Cl)cc4Cl -MOL_01_019548,O=C(N=1)C=c(c12)c(ccc2)N3CCN(CC3)CCCN4C(=O)CCc(c45)cccc5 -MOL_01_019549,Fc1ccc(cc1)C(N)c2cc(CCC)c(cc2)NCCCNc3cccc(c34)n(cc4)CC(N)N -MOL_01_019550,Cc1ccc(C)c(c1)NC(=O)CN2C(=O)CCc(c23)nc(N)cc3N -MOL_01_019551,NCc1ccc(cc1)CC2CCN(CC2)c3ccncc3 -MOL_01_019552,Clc1ccc(cc1Cl)NC(=O)CN(C)CC(N=2)=NC(=O)C(C23)=C(C=C3)c4ccc(F)cc4 -MOL_01_019553,CN(C)C(O)c(c1)ccc(c12)ncnc2NCc(c3)ccc(c34)CNC4 -MOL_01_019554,NCc1ccc(cc1CN)C2C(C(=C)CCC)=CN(c(c23)cccc3)Cc4cccc(c4)CN -MOL_01_019555,C1CCCC=C1CCNC(=C)CN2C(=C)N(CCCCN)C(=C)c(c23)cccc3 -MOL_01_019556,CN(C)CCCn1c(N)nc(c12)ccc3c2CC(CC3)CN(C)C -MOL_01_019557,c1ccccc1N(CC)C(=O)Cn2c(nc(c23)cccn3)CCc4ccccc4F -MOL_01_019558,CCOc1ccccc1NC(=O)C(C=2)=CC(C23)=c4c(=NC3=O)cccc4 -MOL_01_019559,N1CC(C)(C)c(c12)cc(cc2C)CN(CC3)CCC34CN(C(=N)N4)c5ccc(C(=N)N)cc5 -MOL_01_019560,NCc1cccc(CN)c1C2CCCC(=N)N2Cc(n3)cn(c34)cccc4 -MOL_01_019561,Nc1nc(C)nc(c12)CC(CCCC)NC2c(c3)ccc(c34)cccc4 -MOL_01_019562,NCc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)-c4cccnc4 -MOL_01_019563,NCCNC(=C)CCc1ccc(cc1)-c(n2)nc(c23)nc(=C)n(c3=C)CCC -MOL_01_019564,Cc1ccc(cc1)-c2cc(c(CN)c(n2)CN)-c3ccc(Cl)cc3Cl -MOL_01_019565,NCc1ccc(CN)c(c1)NC(O)c(c(n2)O)cc(c23)C(O)CCC3 -MOL_01_019566,Cc1c(C)c(N)cc(c12)c(N)c(cn2)-c3ccc(N)c(N)c3 -MOL_01_019567,Cc1cccc(Cl)c1C2=CCC(=O)N2c3nc(N)c(CN)c(n3)N -MOL_01_019568,c1ccnc(c12)cc(-c(ccc3Cl)cc3CN)nc2CCC4CNC(=O)C4 -MOL_01_019569,N=C(O)CC1CCC(CC1)c2ccc(cc2)N(C3=N)CCCc(c34)ncnc4N -MOL_01_019570,CC(=O)Nc1nonc1-c2nnc(n2C)CCc3ccc(F)cc3 -MOL_01_019571,CNc(c1)ccc(c12)CCN(C(C)N)C2CC(c3ccccc3)c4ccccc4 -MOL_01_019572,c1cnccc1-c2nnc(n2CC)CCC(=O)Nc(c3)ccc(c34)n(C)c(=O)n4C -MOL_01_019573,CCC1CN(CCC1)c2ncnc(CC)c2/C=C/c3ccc(C)nc3 -MOL_01_019574,CCc1c(CN)c(c(C(C)=N)n1C)-c2ccc(cc2)-c3ccccc3F -MOL_01_019575,c1ccccc1C2Nc(cccc3)c3N=C(C2=4)CC(C)NC4N -MOL_01_019576,FC(F)(F)c1ccc(cc1)C(=C2)CC(N23)C=Nc4c(C3=N)cc(CN)c(c4)CN -MOL_01_019577,NCc1ccc(cc1)NC=2C(=N)N(C(C23)=CCC(C3)C)c4ccc(CN)cc4 -MOL_01_019578,COC(O)Nc1cc(ccc1Cl)NC(C)(C)C(O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_019579,O=C(N1)CCc(c12)ccc(c2)Nc3ncc(C)c(n3)Nc4cccc(O)c4 -MOL_01_019580,CCCCc(c1)ccc(c12)CCc3c2nc(C(N)N)cc3N -MOL_01_019581,CC(C)N(C(C)C)Cc(c1)ccc(c12)Cc3c4c2nnc(N)c4ccc3 -MOL_01_019582,Fc1ccc(cc1)C(=N)c(c2=N)cn(c(c23)cc(CN)c(c3)CN)Cc4cccc(F)c4 -MOL_01_019583,C1CCCCC1NC(=N)c(cc(c23)cccn3)c(=N)n2Cc4ccccc4 -MOL_01_019584,c1cccc(c12)C=3N(C2=O)C(CC3)C(=O)NCCc4ccccc4F -MOL_01_019585,C1CCCc(c12)c(NN)c(nc2CN)NCc3ccccc3 -MOL_01_019586,c1cc(F)ccc1-c(c(n2)N)c(c(c23)ccc(N)c3)Cc4ccc(cc4)/C=C/C(N)N -MOL_01_019587,CC(C)(C)NC(O)Nc(cc1)cc(c12)nc(n2CCC)CCc3cc(NO)ccc3OC -MOL_01_019588,NCCC(=O)N(CC1)CC12c3c(CCC2)cnc(n3)N4CCCCC4 -MOL_01_019589,NCCCC12c3c(ccc(Cl)c3)NC(=N)C2(C1)C(=N)Nc4ccccc4CN -MOL_01_019590,CCCC(N)c1cc(-c2ccc(F)cc2)n(c1C)CC(N)N3CCCC3 -MOL_01_019591,NCc1cccc(c1)-c2nnc(n23)CCC(=N3)c4ccccc4CN -MOL_01_019592,CC(C)N(C)c(c(F)c1)cc(c12)n(cc(c2=N)C(C)=N)-c3ccc(F)cc3 -MOL_01_019593,C1CCC(N12)=NC=C(C2=C)c3ccnn3-c4ccc(CN)cc4 -MOL_01_019594,NC(N)CCCc1c(CC)c(ccc1)-c2ccc(cn2)-c3ccc(NC(C)C)c(c3)CN -MOL_01_019595,CNc1c(NC)ccc(c12)c(c3c(n2)cccc3)C(C(N)NC)c(c4)ccc(c45)NCN5 -MOL_01_019596,Cn1ccnc1CCc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_019597,COc1cccc(c1)Cn2c(nc(c23)ccnc3)CCc4ccc(cc4)C(=O)N5CCC(C)CC5 -MOL_01_019598,C1CCOC1Cn2c(C)c(cc2C)-c3ccc(nn3)NCCc4ccccc4 -MOL_01_019599,c1cccc(c12)nc(n(c2=O)CCOC)CCc(n3)cc(=O)n(c34)cc(C)cc4 -MOL_01_019600,c1cn(C)c(c12)cc(C(N)NCC)n2CC(N)N(c3ccccc3)Cc4ccccc4 -MOL_01_019601,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)Cc4ccnc(n4)NCCN(C)C -MOL_01_019602,CC1CN(CCC1)C(=C)CCc2nnc(n23)c(CC)c(C)nc3N -MOL_01_019603,c1ccoc1-c2nnc(n2CCCC)CCC(O)c(c3)ccc(c34)OCCO4 -MOL_01_019604,CC(C)C(N)(N)n1c(NC)nc(c12)ccc(c2)C(NN)c3ccccc3 -MOL_01_019605,CCc1ncnc(N(CC2)CCC2(C)C)c1/C=C/c3ccc(C)nc3 -MOL_01_019606,Fc1cc(cc(F)c1)NC(C)c(cc(c2)C(N)NC)c(c23)nc(cc3N)N4CCNCC4 -MOL_01_019607,CCNC(=N)C1=C(C)N(C)C(=N)NC1c2c(N)ccc(c23)cccc3 -MOL_01_019608,C1=CC(C)(C)Cc(c12)cc(C)c3c2n(C)c4c(c3=O)cccc4CN -MOL_01_019609,Clc(c1)ccc(c12)NCCC(=C2Cl)Cn3cc(nn3)CNc4cccc(c45)cccn5 -MOL_01_019610,COc(c1)ccc(c12)OC(C)(C)CC\2=C/CC(=O)NCc3ccccc3 -MOL_01_019611,C1CCc(c12)cc(C(=O)N)c(n2)Cc3cccc(c3F)CN4CCCC4 -MOL_01_019612,CNC(=N)c1ccc(cc1)NCC(c(c23)cc(NC)c(c3)NC)N(CC2)C(=N)c4cccc(F)c4 -MOL_01_019613,NCc1ccc(cn1)NC(N)C(C2)Cc(c23)nccc3-c4ccccc4Cc5ccccc5 -MOL_01_019614,CCCn(c1=C)c(=C)nc(c12)nc(n2)-c3cnn(c3)Cc4cccc(F)c4 -MOL_01_019615,C=C(C)C(N1)CC(C(=C)CN)c(c12)c(N)cc(F)c2 -MOL_01_019616,C1OCC(N)=NC1(C(C)C)c2cc(ccc2C)Nc3ncccc3ON -MOL_01_019617,CCCc(n1)cc(n12)nc(cc2O)COC(O)c3cccc(c3)NC(O)COc4ccccc4C -MOL_01_019618,CC(C)c(cc1)c(NC)c(c1C23C)CCC2C4=C(CC3)C(=N)NC4 -MOL_01_019619,CC(=N)Nc1cccc(c1)-c2ccnc(c23)CC(C3)C(=N)NCc4cccc(Cl)c4 -MOL_01_019620,C1CC(=O)c(c12)ccc(c2C)C(C3)CCC(N34)CN(CC4)C(=O)Cc5cnc(nc5)-n6cnnn6 -MOL_01_019621,c1ccc(CN)c(c12)CCN2C(=N)C(C)(C)CCc3ccc(CN)cc3Cl -MOL_01_019622,CNc1ccc(cc1NC)CNCC(C)(N2)CCc(c23)c(C)c(N)c(C)c3C -MOL_01_019623,NCOc1ccccc1-c2nnc(n23)CCC(=N3)c4ccc(ON)cc4 -MOL_01_019624,Cc1ccc(cc1)Nc2cc(-n3ncc(CN)c3N)nc(n2)-c4ccccc4 -MOL_01_019625,NC1CN(CC1)c(n2)c(C)cc(c23)c(C)c(cn3)C(N)O -MOL_01_019626,n1cccc(c12)CCC(O)N2Cc3cn(nn3)Cc4ccccc4 -MOL_01_019627,C1COCCN1Cc(c2)cc(c23)c(N)c(cn3C)C(N)NCc4ccc(Cl)cc4 -MOL_01_019628,CCc1ccc(cc1)-c2cnc(C(C)O)nc2-c3ccccc3C -MOL_01_019629,Nc1ncc(cc1)/C=C/c2c(ccnc2CC)-c3ccc(c(C)c3)C(=O)N(CC4(C)C)CCN4C -MOL_01_019630,c1cc(NC)c(NC)cc1C2=C(c(cc3NC)ccc3NC)C(N)c(c24)ccc(c4)-c5ccccc5 -MOL_01_019631,NCc1cc(ccc1F)-c2cc(C(N)CN)n(c23)ccc4c3cc(c(F)c4)CN -MOL_01_019632,C1=NN=c(c12)cc(C)c=3c2C=C(N3)NC(=O)C4(CC4)Nc5ccc(Cl)cc5 -MOL_01_019633,Cc1cc(N)c(CN)c(c12)Nc3c(NC2N)c(C)c(c(c3)N)CCC(C)C -MOL_01_019634,c1ccccc1C(C)CNC(=N)CCCn2c(=N)c(ccc3)n3c(c24)cccc4 -MOL_01_019635,CCc1c(CN)c(c(C(C)=N)n1C)-c2ccc(cc2)-c3ccc(Cl)cc3 -MOL_01_019636,Cc(n1)ccc(c12)c(=N)c(cn2CC)C(=N)NCCc3ccc(Cl)cc3 -MOL_01_019637,CCCc(c1)ccc(c12)ncc(C(N)CCC)c2NCCCN3CCCCC3 -MOL_01_019638,Cc1ccccc1CCc2nnc(n2C)-c3nonc3NC(C)O -MOL_01_019639,Nc1ccc(cc1)C2CCCC(=N)N2CCCCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_019640,CCC1NC(=O)N(C1=O)c2ccc(nc2)Cc3ccc(CN)cc3C(C)(C)C -MOL_01_019641,CC(C1)CN(C12)C(=C)c3c(NC2=C)cc(c(c3)CN)CCc4ccccc4 -MOL_01_019642,Nc(c1)cc(c12)c(N)nc(O)n2CC(O)Nc3cccc(Cl)c3 -MOL_01_019643,C1CCCc(c12)c(CN)c(nc2C)CCC(=O)Nc(c3)ccc(c34)OCO4 -MOL_01_019644,C1CC(N)CCC12NC(N)C(c(c3)c(C)ccc3C)=C2CC(N)Cc4ccc(Cl)cc4Cl -MOL_01_019645,C1CCCCC1n2c(C)nc(c23)C(O)c4c(C3O)cccc4 -MOL_01_019646,c1ccccc1C2(c3ccccc3)N(C(O)N(C2O)CC(O)O)CCCN4CCCN(C4=5)CCCN5 -MOL_01_019647,COc1c(OC)cc(cc1OC)NC(=O)C2CCN(CC2)C(=O)C(C=3C)=CC(C34)=NC=NC4=O -MOL_01_019648,Cc1ccc(cc1)CNCCCc2ccc(Cl)c(c23)NC(=O)C3 -MOL_01_019649,Cc1cccc(c1)-c2nccnc2C(=N)N3CCCC3Cc4ccc(CN)c(c4)CN -MOL_01_019650,C1CCc(c12)ccc(c2)C(CC3=O)C(CN)=C(N34)C=CN(C4)Cc5ccccc5 -MOL_01_019651,C1CCCc(c12)c(CN)c(nc2C)CCC(=O)Nc(c3)ccc(c34)CNC4 -MOL_01_019652,CC(C)C(O)N1CCN(CC1)C(O)c2cc(ccc2F)Cc3nnc(O)c(c34)CCCC4 -MOL_01_019653,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CC)CCC(=O)Nc3ccc(F)cc3F -MOL_01_019654,NCc1ccccc1-c2c(=N)n(cc(c2)-c3ccccn3)-c4ccccc4CN -MOL_01_019655,N=C(N=1)C=c(c12)cc(cc2)C(=N)N3CCCC(C34)c5c(CC4)cccc5 -MOL_01_019656,Fc1ccc(cc1)-c(c2=N)cn(CN)c(c23)cc(c(F)c3)N4CCNCC4 -MOL_01_019657,Cc1ccc(cc1)NCc2nnc(n2C)CCC(=O)N3CCc(c34)cccc4 -MOL_01_019658,CC(C)(C)c1cc(no1)N2C(=O)CCC2c3c(Cl)cccc3Cl -MOL_01_019659,CCN(CC)C(C)c1nn(C)c(c12)nc(cn2)CCc3ccccn3 -MOL_01_019660,Cc1cnc(C)c(n1)-c2cc(F)cc(c23)CC(C3)CNC(=N)Cc4ccccc4C -MOL_01_019661,n1ccc(c12)n(CC)c(O)c(c2O)C(O)OC -MOL_01_019662,NCc1ccc(CN)c(c12)nc(cc2)-c(c3)ccc(c34)CCC4 -MOL_01_019663,Cc(c1)ccc(c12)N(C)C(=O)c3c(C2)ncc(c3)N -MOL_01_019664,CCCC(C)c1c(NC(C)N)nc(n12)CCC2 -MOL_01_019665,c1ccccc1C(NC)Nc2cc(N)nc(n23)c(N)c(n3)N -MOL_01_019666,CC(C)CC(CO)Nc1nc(nc(c1=2)=NC(=O)C2)C(O)Cc3ccccc3 -MOL_01_019667,c1cncnc1C(=C)N(CC2CCCC)Cc(c23)cnn3CC -MOL_01_019668,NNc1cc(ccc1Cl)-n2cc(c(c23)cccc3)C(O)C(O)Nc4ccncc4 -MOL_01_019669,CCCC(=N)c1c(C)c(c(C)n1CC)C(=N)NCCc2ccc(CN)cc2 -MOL_01_019670,C1CNCCN1CCn2cc(c(c23)cccc3NC)C(N)NC(C)Cc4ccccc4 -MOL_01_019671,NCc1ccc(cc1CN)C2C(CN)=C(N)Cc(c23)c4c(cc3N)cccc4 -MOL_01_019672,CCCCN(CC)CCCNC(O)Cn(c1O)nc(CC)n(c12)c3c(c2)ccc3 -MOL_01_019673,c1ccccc1C(C)Nc2nccc(n2)N3C(=O)CCC3c4ccncc4 -MOL_01_019674,Clc1ccc(cc1)CCC(=N)c(c2=N)cn(c(c23)cc(CN)c(c3)CN)Cc4ccccc4 -MOL_01_019675,C=C1N=NC(=N1)C2CNCCC2NC(=O)c3ccc(cc3)OCc4cc(C)nc(c45)cccc5 -MOL_01_019676,CCNC(=O)C(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(n3)N(CC4)CC4(C)C -MOL_01_019677,c1nnnn1CC(C)N(C=2O)C=Nc(c23)cc=4c(c3)N=NN(C4O)C5CC5 -MOL_01_019678,C=C(N)C1CCCN(C1)c(nc2=C)nc(c2=3)C(=CC3)c4ccc(C)cc4 -MOL_01_019679,c1ccn(c12)c(N)cc(n2)CN3CC(C)Cc(c34)ccc5c4cccc5 -MOL_01_019680,NCc1ccc(cc1CN)C(CC23)=C(C(=C)CN)C(CC2)N3C(=C)NCCCc4ccc(CN)cc4 -MOL_01_019681,FNc1ccc(cc1)N2C(C)=C(C(=C)CN)C(C(=C2C)C(=C)CN)c(c3)ccc(c34)CCC4 -MOL_01_019682,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CCC)CCC(=O)NCC3CCCO3 -MOL_01_019683,NCc1cc(CN)ccc1C2(C)CC(F)C(c(c3)ccc(c34)CNC4)=C2Cc5ccccc5 -MOL_01_019684,c1ccc(c12)n(cc(c2N)C(C)N)Cc3ccc(cc3)-c4ccncc4 -MOL_01_019685,CCCCn1cc(ccc1=O)-c2cnc(C)nc2CCC3CC3c4ccc(cn4)CC -MOL_01_019686,c1ccccc1Cc2ccc(NC(=O)C)cc2-c3nn(C)c(=O)cc3CN -MOL_01_019687,COc1ccc(cc1)-c2nc(C)nc(C)c2C(C)O -MOL_01_019688,CN(C12)C(CC1)CC(C2)CC(=O)c3cn(CN(F)F)c(c34)nccc4 -MOL_01_019689,CCN(CC)C(N)C1CCCN(C1)c(c(F)c2)cc(c23)n4c(c(c3N)C(N)N)cc5c4cccc5 -MOL_01_019690,CNC1CN(C1)C(N)c2cc(NC)c(cc2)Nc(nc3)cc(c34)c(ccc4)-c5cnn(C)c5C -MOL_01_019691,C=c1nnc(n12)c3c(nc2CC)cc(C)c3C -MOL_01_019692,NCc1cccc(c1)-c(ncc(c23)cccc3)c2CCC(N)c4ccc(F)cc4 -MOL_01_019693,Nc1cc(Cl)ccc1N(C2=N)C(=N)C(C23C)C4c5c(cccc5)C3c6c4cccc6 -MOL_01_019694,Cc1cncn1CCCn(c2=O)c(=C)nc(c2=3)C=C(C3)c4ccccc4 -MOL_01_019695,COC(=O)c1cc(C)n(n1)C(NC2CCCCC2)c3ccccc3OC -MOL_01_019696,Cc(n1)cc(N)n(c12)nc(c2)N3CCCC(C3)C(N)NCCc4ccc(Cl)cc4 -MOL_01_019697,CCCCc1ccc(cc1)C(=C)C2=C(C)C(=C)N(CCCN)C2c3cccnc3 -MOL_01_019698,NCc1c(F)cc(cc1)-c2ncn(C)c2-c3cc(N)c(CN)c(N)c3 -MOL_01_019699,c1cc(Cl)cc(n12)nc(CC)c2C(O)NCc(c3)ccc(c34)CC(O)CN4 -MOL_01_019700,CCn(c1O)nnc(c12)cc3c2CCC(C3)C -MOL_01_019701,CC(N)Nc(cc(C)c1)c(c12)C3=C(C(N2)(C)C)CCC(C3)C -MOL_01_019702,C1CCCc(c12)n(CCCC)c(=N)c(c2)C(=N)NCc3ccccc3 -MOL_01_019703,CCCCCc1ccc(cc1)-c2c(CCC(=O)NC)c(c(C)n2C)CCC(=O)NC -MOL_01_019704,CCC(C(N)O)Nc1nc(C)nc(c12)CCc3c(C2)cccc3 -MOL_01_019705,CCOC1CCN(CC1)c2ncnc(CC)c2/C=C/c3ccc(C)nc3 -MOL_01_019706,Cc1cccc(C(C)(C)C)c1Nc2nc(ccnc3)c3c(c24)c(O)ncc4 -MOL_01_019707,C=C(C)N1CCN(CC1)c(n2)cc(N)c(c23)cc(CC)c(c3)CC -MOL_01_019708,O=C(N)N1CCCn(c12)nc(c2C)CCc3ccccc3 -MOL_01_019709,c1ccccc1CCn(c2=O)c(nc(c23)cn(n3)CC)CCc4cccc(F)c4 -MOL_01_019710,c1cccc(c12)n3c(cc2C)nnc3CCC(=O)NCC4CCCC4 -MOL_01_019711,NCc(c1)c(CN)cc(c12)C=3N(CC2)C(=C)N=C(C3)NC4CCCCCCC4 -MOL_01_019712,CCn(nc1)c(c12)CN(CC2CCC)C(O)c(c3)ccc(c34)CCC4 -MOL_01_019713,CCc1ccc(cc1CC)-c2ccc(CN)c(n2)CCC(C)NC3CC3 -MOL_01_019714,CCCCn1cc(ccc1=O)-c2cnc(C)nc2CCC3CC3c4ccc(C)cn4 -MOL_01_019715,NCc1cc(ccc1)Cc2c(=N)n(ncc2Cl)C3c(cccc4)c4c(c35)cccc5 -MOL_01_019716,C1CCCCC1Nc(ncn2)c(c23)cc(nc3)CCCN4CCCCC4 -MOL_01_019717,CN1CCCc(c12)c(cc(Cl)c2)C(=N)NCC3CCCN3Cc4ccccc4 -MOL_01_019718,NCc(c1C)cc2cc(nc(c2c13)cc[nH]3)C(N)c4ccccc4 -MOL_01_019719,CC(C)n1nccc1-c2ncccc2CCc3cncc(O)c3C=O -MOL_01_019720,c1cc(N)ccc1-c(c2)n(c(=N)c(c23)cc(N)cc3)-c4ccc(cc4)NCCN5CCCC5 -MOL_01_019721,COc1cc(=NC(=C2)N)c2c(c1=3)N=C(C3)N -MOL_01_019722,CN(C12)C(CC1)CC(C)(C2)/C=C/c(c3)ccc(c34)CCCn5c4nc(c5)C(N)N -MOL_01_019723,c1ccccc1-c2nnc(C)c(CN)c2-c3ccccc3 -MOL_01_019724,CCc(c1)ccc(c12)nccc2C3CC(=O)N(C34)CCC(=O)C4 -MOL_01_019725,c1cccc(c12)c3c(c(N)n2C)cc(c3)C(N)NCCc4ccc(CN)c(c4)CN -MOL_01_019726,NCC(O)Cc(c1)ccc(c12)Nc3c(C(N2)O)ccc(c3)Nc4ccncc4 -MOL_01_019727,Clc1cc(C(=O)N)cnc1-c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_019728,CNc(c1)ccc(c12)c(ccn2)NCCn3c(N)nc(c34)cc(cc4)C(N)NC -MOL_01_019729,c1cccc(c12)c(nn(c2=O)C)C(=O)CCC(=O)Nc3ccccc3CC(F)F -MOL_01_019730,NCCCN(C)CC1CC(=O)N(C1)c2cc(C)c(cc2)-n3cc(cn3)-c4ccccn4 -MOL_01_019731,NCc1cccc(c12)c(ccn2)CC3CCC(CC3)NC(=O)c4ccc(F)c(Cl)c4 -MOL_01_019732,NCc1ccc(cc1)C(=N)N2CCC(C23)N(C(=N)CC3)c4cccnc4 -MOL_01_019733,N=CCCC(=O)CC1C(C(=O)CCC=N)=C(N)Cc(c12)ccc(c2)-c3ccnc(F)c3 -MOL_01_019734,ONc1c(C)n(nc1C)CC(O)N(C(C)(C)C(O)N2)c(c23)cccc3 -MOL_01_019735,ONc(cc1)cc(c12)n(nc2C(O)CC)C(O)c3cccc(C)c3 -MOL_01_019736,CCOC(=O)C(C)NC(=O)C(C=1)=CC(C12)=c3c(=NC2=O)ccc(c3)C -MOL_01_019737,C=C(N)c1ncn(c12)C(=C)N(N=N2)CC(=C)N(C)C -MOL_01_019738,CC(C)(C)C(N)CCC(N)c1c(CCC2)c2nc(c13)cccc3 -MOL_01_019739,Fc1ccc(cc1F)C(CN)c2c(=N)n(ncc2Cl)Cc3cccc(c34)cccc4 -MOL_01_019740,CC(O)Cc1c(N(CC)CC)c(C(C)(C)C)c(O)n(c12)ccc2 -MOL_01_019741,Clc1cnc(cc1)C(N)Nc2ccc(C)c(c2)C3(C(C)C)N=C(N)CCC3(C)C -MOL_01_019742,CNc1ccc(cc1NC)-c2cc(-c3ccc(F)cc3)nc(c24)cc(NC)c(NC)c4NC -MOL_01_019743,Cc1ccc(cc1C)C(N2N)C(N)c(c23)cc4c(c3)NCN4 -MOL_01_019744,CC(O1)(C)CC(O)c(c12)cc(cc2)OCC(O)N3CCN(CC3)c4ccccc4Cl -MOL_01_019745,CCCCNC(O)c(c1O)cnc(n12)cc(n2)N3CCCCCC3 -MOL_01_019746,COc1cccc(c12)cc(n2CC=C)NC(=O)CN3C(=O)CCC3=O -MOL_01_019747,C1CC1NCCCc(c2)c(CN)cc(c23)c(c(cn3)C(N)O)Nc4ccc(F)c(Cl)c4 -MOL_01_019748,N=1N=C(C)c(c12)cc=3c(c2NC)N=NC3C -MOL_01_019749,Nc1cnc(cn1)-c2c(C)c(CCCN)c(cc2)C3CCC3 -MOL_01_019750,c1ccncc1C(=O)N(C)C(CCN)c2cccc(c2)C(C)(C)C -MOL_01_019751,c1ccccc1Cn2c(C)c(cc2C)C(=N)CN3C(=N)NC(C3=N)Cc4ccccc4 -MOL_01_019752,CCCc1ncnc(c12)n(cc2CN)CCCCCN -MOL_01_019753,c1ccccc1-c2c(CNC3=N)c3cc(c24)cc(cc4)NCc5cccc(c5)C(N)(CC67)CC(N6)CC7 -MOL_01_019754,NC(=O)c1cc(Cl)ccc1CCC(=O)N2CCCc(c23)cccc3 -MOL_01_019755,Cc(c1)ccc(c12)nc(C)cc2CCC(=O)Nc3ccccc3CN -MOL_01_019756,c1cccc(c12)ccc(n2)CC(C3(F)F)CN(CC3)C(N)c4ccccc4-n5cccn5 -MOL_01_019757,Nc(n1)nc(N)c(c12)c(C)c(CN)c(c2C)Nc3ccccc3 -MOL_01_019758,C=CCN(C(CC)CN1)c(c12)ccc3c2c(C(Cl)(Cl)Cl)cc(n3)N -MOL_01_019759,CC(N)c1ccnc(c1)-n2nccc2CC3CCc(c34)cc(Cl)cc4 -MOL_01_019760,Cc1ccc(n12)ncc(c2O)-c3ccnc(n3)N4CCCC(C4)C(N)O -MOL_01_019761,CC(=N)Cc1ccccc1-n2c(C)nc(=N)c(c2C)-c3ccccc3 -MOL_01_019762,CCCCCNc(n1)nc(N)c(c12)c(cc(n2)N)CCCC3CC3 -MOL_01_019763,CCN(CC)C(=C)c1nn(C)c(c12)nc(cc2)CCc3ccccn3 -MOL_01_019764,ONc1ccc(cc1)NC(C2O)=C(Cl)C(O)c(c23)ncnc3 -MOL_01_019765,c1ccccc1NC(=N)CCC2CN(C23)CCc4c3cc(CN)c(c4)CN -MOL_01_019766,c1cccc(c12)N(C(C)=N)C(C2=N)N3CCN(CC3)c4cccc(c4)CN -MOL_01_019767,CNC(=N)c1ccc(cc1)NCC(c(c23)cc(NC)c(c3)NC)N(CC2)C(=N)c4ccc(F)cc4 -MOL_01_019768,NCc1ccc(cc1)-c(n2)cn(c23)CC=C3 -MOL_01_019769,CC(=O)Cc1c(CN)cc2ccnc(c2c13)ccn3C -MOL_01_019770,c1ccnc(c12)c(cc(CC)c2CC)NCCCCCCN -MOL_01_019771,CC(O)Nc1c(C(C)O)c(C)nc(n1)-c2ccccc2 -MOL_01_019772,NCc1ccc(cc1CN)CN(C)C(=O)Cn2cnc(c23)c(ncn3)CCc4ccccc4 -MOL_01_019773,c1cnccc1CN(CC)c2cccc(c23)nc(c(c3)C)Cc4c(CN)cc(CCN)cc4CN -MOL_01_019774,Cc1cccc(c12)nc(nc2N)-c3cccnc3-n4ccnc4 -MOL_01_019775,COc(c1)ccc(c12)nc3n(c2=O)c4c(cccn4)c(=O)nc3CC(C)C -MOL_01_019776,CNc(cc1)cc(c12)nc(c(c2N)C(N)NCC)-c3ccc(C(F)(F)F)cc3 -MOL_01_019777,CC(C)(N)C(N1)Cc(c12)c3c(cc2)ccc(n3)N -MOL_01_019778,Fc1ccccc1C(CC2=N)C(CN)=C(N23)C=CN(C3)Cc4ccccc4 -MOL_01_019779,CN(C)CCCN(C1=N)C(=N)N=C(C1=2)c3c(N2)cccc3 -MOL_01_019780,Cc1cc(CN)ccc1-c2nc(N)ncc2-c3ccccc3CN -MOL_01_019781,CNc1cccc(c1)-c2c(cnc(c23)cc(F)cc3)C(N)(N)c4cccc(c4)CN -MOL_01_019782,Cc1c(C)ccc(c12)N=C(N)NC2(C(C)(C)C)CCC3CC3 -MOL_01_019783,CCCC(=O)C(CN)C1C(C(=O)CCC)=C(N)Cc(c12)ccc(c2)C -MOL_01_019784,CN1CCCc(c12)c(cc(Cl)c2)C(N)NCC3CCCN3CCc4ccccc4 -MOL_01_019785,NCCCCC1CCN(c2cc(CN)ncn2)C1Cc3cccnc3 -MOL_01_019786,Cc(n1)ccc(c12)ncc(Cl)c2CCN3CCC(CC3)NCc(n4)ccc(c45)ccc(=O)[nH]5 -MOL_01_019787,CNc1ccccc1C2=C(C(O)NC2O)N(C)c3ccccc3 -MOL_01_019788,NC(N)c1cc(ccc1)C2=C(C(N)NC2)c3cc(F)ccc3NCc4ccccc4 -MOL_01_019789,Cc1cccc(C)c1NC(=O)CN2C(=O)C/C(C2=O)=C\c3cccn3-c4cccc(c4)C(=O)O -MOL_01_019790,CNc(c1)ccc(c12)nccc2C(N)CN3CCC(CC3)NCC(N)Cc4ccccc4 -MOL_01_019791,c1cnccc1C(=N)c(c2=N)cn(c(c23)ccc(c3)C)CC(=N)Nc4ccccc4CN -MOL_01_019792,c1ccccc1CNc2cc(NC)c(cc2)C(=N)N3CCC(CC3)N4C(=N)NCc(c45)cccc5 -MOL_01_019793,Cc1ccc(cc1)Cn(c2C)c(C)c(c23)cnn(c3=N)CC(=N)NCCc4ccc(Cl)cc4 -MOL_01_019794,c1cccc(c12)C(=O)C(n3cncn3)C(C2)c4ccccc4Cl -MOL_01_019795,CN(C)c1ccc(cc1)-c2ccnc(c23)CC(C3)(C)C(=O)NCCc4ccccc4 -MOL_01_019796,NCCC1CCC(c2ccccc2)N(C1)c(n3)ccc(c34)CCC(=O)N4 -MOL_01_019797,NCC(=O)c(nc1N)cc(c12)c3c(n2C)nccc3 -MOL_01_019798,c1ccccc1CN(C2=C(C(N)=C2N)NC(C)C)c3ccccc3C4CCCCC4 -MOL_01_019799,CCCC(N)Nc(nc1N)cc(c12)CC(c3ccccc3)C(=N2)c4ccccc4 -MOL_01_019800,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)CCC4CCCNC4 -MOL_01_019801,c1ccccc1CN(C)CCNC(=N)CCCCc2cc(=N)n(C)c(c23)cccc3 -MOL_01_019802,CNc1ccccc1-c2ccc(cc2)CC(N(CC3)C(=N)NC(C)(C)C)c(c34)c(N)cc(c4)N -MOL_01_019803,c1cccc(c12)CCN(C2)CC(C)CNC(=O)CCc3cccc(n3)NC4CCCCC4 -MOL_01_019804,CC(=O)c1ccc(cn1)NC(=O)c(nc(c23)cccc3)c(n2)Cc4ccc(F)cc4 -MOL_01_019805,CN(C)CCCCC1CCN(CC1)CC(=N)N2c(cccc3)c3NC(=N)c(c24)cccc4 -MOL_01_019806,CCCN(CCC)c1c(CC)nc(n(C)c1=N)-c2c(C)cc(C)cc2CN -MOL_01_019807,CC(=O)CCC(C=C1)=C(C(=O)C)N(C12)C(=O)C2NC(=O)CCc3ccc(F)cc3 -MOL_01_019808,CC(=N)N(C12)CCN(C1=N)c3c(C(=N)CCC2)cc(cc3)C4CCCCC4 -MOL_01_019809,Cc1ccc(cc1)NCc(n2)cc(n23)nc4c(c3N)cccc4 -MOL_01_019810,Cc(n1)cc(C)c(c12)N(C(=O)CC2)CC(=O)Nc3ccccc3C -MOL_01_019811,CC(C)(C)Nc1cccc(c1)C(N)(N)n2c(CCCC(N)N)cc(c23)cc(cc3)C(C)(C)C -MOL_01_019812,c1ccccc1N(c(c23)cc(C(F)(F)F)cc3)C(=N)C(C(=N)N2C)c4ccccc4CN -MOL_01_019813,Cn1cc(cn1)-c2cc(C)c(cc2)CN(C(O)C3(C)C)c(c34)cccc4 -MOL_01_019814,NCc1c(C)ccc(c12)nc(cc2)-c3ccc(cc3)C(N)N4CCCC4 -MOL_01_019815,c1cccc(c12)c3c(o2)c(nc(n3)CC)CCC(=O)c4ccn(Cl)c4 -MOL_01_019816,c1ccccc1Cc(c2N)c(C)nc(n23)nc(n3)CNc4ccccc4 -MOL_01_019817,Cc1cc(C)c(cc1C)C2CCN(CC2N)c3ccccn3 -MOL_01_019818,CCC(=O)c1nnn(c1C(=O)CC)CC2CC(=O)N(C2)c3ccc(C(=O)C)cc3 -MOL_01_019819,CCCn(c1O)c(O)nc(c12)nc(n2)-c3cnn(c3)C/C=C/c4cccc(F)c4 -MOL_01_019820,C1CCC1CC(=O)N(CC23)CC(CCC2)C3Cc4c(C)c(ncn4)Nc5ccc(CN)cc5Cl -MOL_01_019821,COc1cccc(c1)CN(C(O)C2O)c(c23)ccc(F)c3 -MOL_01_019822,CCCCC(N)NC(C(C)(C)N1)Cc(c12)cc3c(c2)nc(N)cc3 -MOL_01_019823,NCc(n1)ccc(c12)nc(N)c3n2c(nc3N)CCc4ccccc4 -MOL_01_019824,Cc1ccc(cc1)C(C(=C)N2C)=Nc(c23)cnc(n3)N4CCCCC4 -MOL_01_019825,n1cccc(c12)c(NN)cc(c2C)C(=O)NCC3CCN(CC3)C(C4)Cc(c45)cccc5 -MOL_01_019826,C1CCCCC1N(CC)c2cccc(c23)nc(c(c3)C)Cc4c(CN)cc(CCN)cc4CN -MOL_01_019827,c1ccncc1-c2nnc(n2CC=C)CCC(=O)Nc3cccc(c3)OC -MOL_01_019828,CC(O)C(=C1C)N=C(C1=2)C(=CC2)c3cccnc3 -MOL_01_019829,c1cccc(c12)nc(C)c(=N)n2C3CCN(CC3)CCCC(=N)c4ccc(F)cc4 -MOL_01_019830,CC(C)CC(N)Cc1cc(N)nc(c12)c3c(cc2)cccc3 -MOL_01_019831,C1CCCCN1c2nc(C(C)(C)C)ncc2C(O)Nc3ccc(CN)c(c3)CN -MOL_01_019832,Cc1cc(cc(c1)C)NC(=C)C2=C(C)N=C(C)NC2c3ccc(C)c(c3)CN -MOL_01_019833,NNc1cc(ccc1)CC(=N)c2cc(nc(c23)cccc3)-c4ccccc4 -MOL_01_019834,Fc1ccccc1CNC(=C)CCC(=C)N2Cc(cccc3CN)c3Cc(c24)nccc4 -MOL_01_019835,CC(C)n1nccc1-c2ncccc2CCc3cccnc3CO -MOL_01_019836,C1CC(N)=NC12c3c(ccc(c3)CN)Cc4c2cc(cc4)-c5ccccc5Cl -MOL_01_019837,C1CCCC1N(C)CC(O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(O)CN(C)C5CCCC5 -MOL_01_019838,C1CCCN1c2nc(O)nc(O)c2-c3ccccc3 -MOL_01_019839,NC(N)c1cc(ccc1)Oc(c23)nc(c(c2C)C=C3)NCCCN4CCCC4=O -MOL_01_019840,CC(C)c1ccc(c12)ncn(c2O)CC3CCN(C(C)O)CC3 -MOL_01_019841,CC(=N)Cc1ccc(CN)c(c1)C2=NCC(=N)N(c(c23)cccc3)Cc4ccc(F)cc4 -MOL_01_019842,Cc1ccccc1C2CC(c3ccccc3)=NN2C4=NC(=O)CC4 -MOL_01_019843,CC(C)(C1)CC(N12)C(CN)C(=N2)c3ccc(CN)c(Cl)c3N -MOL_01_019844,CCOC(O)Cn(c1O)cnc(c12)cc(c2C)C(O)OC -MOL_01_019845,CNc(cc1)cc(c12)N(N)C(=C(N2N)C(N)NCC)c3ccccc3 -MOL_01_019846,O=c1ccc(cn1C)-c2cnc(C)nc2CCC3CC3c(n4)ccc(c45)cccc5 -MOL_01_019847,c1ccccc1-n2nc(C)c(c2N)C(CC3)=Nc(c34)cccc4 -MOL_01_019848,CCCC(N)c(n1)nc(C)c(c12)c(c3c(n2)cccc3)-c4ccccc4 -MOL_01_019849,Cc1ccc(cc1C)-c2ccc(c23)ncn(c3O)CCN -MOL_01_019850,NCc1ccc(cc1)CN(C(N)C2N)c(c23)ccc(c3)-c4ccccc4CN -MOL_01_019851,NC(=O)CCc1nc(=O)c(CC)c(O)n1-c2ccccc2F -MOL_01_019852,NCCCCN1CCC(CC1)NC(=O)c2cc(Cl)c(N)c(c23)CCC3 -MOL_01_019853,CN1C(=N)CCc(c12)cc(cc2)-c3cncc(c3)CCc4ccccn4 -MOL_01_019854,c1cccc(c12)c(nc(n2)C)CCC(N)c3cc(C)n(c3C)C4CC4 -MOL_01_019855,CNc(cc1)cc(c12)nc(N(CC)CC)c(c2N)Cc3c(N)ccc(c34)c(C)cc(n4)N -MOL_01_019856,C1CNCCC1Cn(c(=N)c(c23)cc(Cl)cc3)c(=N)n2Cc4ccccc4 -MOL_01_019857,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ncnc(c3F)CCC(F)(F)C -MOL_01_019858,CNc1ccc(cc1)C2=C(c3ccc(N)cc3)C(CC(C)N)Nc(c24)cc(N)cc4 -MOL_01_019859,C=C(C)c1ccc(cc1)C(C2)=CN(C23)C(=C)c4c(N=C3)cc(CN)c(c4)CN -MOL_01_019860,CNc1ccc(NC)c(c1)-c2cc(-c3ccccc3)nn2-c4ccc(C(N)(N)N)cc4 -MOL_01_019861,Clc1ccccc1C2C(CN)=C(C)NC(=C2C(=N)CN)Cc3ccccc3 -MOL_01_019862,CN(C)CC(N=1)=NC(=N)C(C12)=Cc3c2cc(cc3)-c4ccccc4 -MOL_01_019863,Cc1ccc(cc1)-n2c(C)nc(c23)C(N)c4c(C3N)cccc4 -MOL_01_019864,CCCCOC(=O)/C=C/C1=C(CN)C(C(CN)C(=O)N1)c2ccccc2OC -MOL_01_019865,NCc1ccc(cc1)NC(=C)c(c(c2)CN)cc(c2C34C)CCC3C(C)(C)C(=C)C(=C4)CN -MOL_01_019866,C1CCc(c12)cc3c(c2)nc(cc3N)-c4cccc(c45)nccc5 -MOL_01_019867,NC(N)n1cnc(c12)c(cc(c2)CC(CC)CN)NCc3ccccn3 -MOL_01_019868,c1cccc(c12)c(cn2C)-c(c3)cc(CN)c(c34)CCCN(C4)Cc5cccnc5 -MOL_01_019869,c1ccccc1C2(CC(=C)C(N2)N)CNc(n3)ccc(c34)cccc4N -MOL_01_019870,CC(C)c(c1)ccc(c12)C=C3C2=NC(=NC3=O)CN(C)C -MOL_01_019871,O1COc(c12)cc3c(c2)N=C(C(O)C3O)c4ccccc4F -MOL_01_019872,NCc1ccccc1CN(C)C2CCN(CC2)c3cc(CN)ncn3 -MOL_01_019873,CCCC(=O)c(n1)nc(n12)c(C)nc3c2cc(cc3)NO -MOL_01_019874,COc1nccnc1Nc2ccc(C)c(c2)C3(C(C)C)COCC(=N3)N -MOL_01_019875,Cc1ccc(C)c(c1)NC(O)CCCn(c2O)nc(C)c(c23)cc4c3cccc4 -MOL_01_019876,c1cccc(c12)n(C(N)N)c(=N)n2C(CCNC)c3ccccc3 -MOL_01_019877,c1cc(C)cc2c1c(cccc3)c3C24N=C(O)N=C4O -MOL_01_019878,CNc1ccc(cc1)-c2c(-c3ccccc3)c(nn(c2=N)CCN)-c4ccccc4 -MOL_01_019879,Nc1ncc(cc1)/C=C/c2c(ccnc2CC)-c3ccc(c(F)c3)C(N)N(CC4)CCC4(C)O -MOL_01_019880,NCc1cc(ccc1F)Cn2n(C)c(=N)c(c23)cc(cc3)NC(=N)CCc4ccccc4 -MOL_01_019881,c1ccccc1Cn2c(=N)n(C)c(=N)c(c2N)C(=N)CCc3ccc(CN)cc3 -MOL_01_019882,C12CCCC(N1C)CC(C2)NC(=N)c3cn(CN(F)F)c(c34)ccc(F)c4 -MOL_01_019883,CCCCCCCCC1CCN(CC1)c(n2)nc(N)c(c23)cc(CN)c(c3)CN -MOL_01_019884,C1CCCCC1NC(=N)C(c(c23)cccc3)N(C(=N)CC2)Cc4cccnc4 -MOL_01_019885,NC(N)CCCCCC(C(N)N1)CCCCCCCCc(c12)cccc2 -MOL_01_019886,c1ccccc1CNC(=N)C2=C(C)N(CCCCCC(=N)N)C(=N)NC2c3ccc(C(C)(C)C)cc3 -MOL_01_019887,C1CCCCN1CCNC(=O)c2ccc(cc2)Cn3c(nc(c34)nccc4)CCc5ccc(F)cc5 -MOL_01_019888,CCCC(=O)C1=C(C)CC(N)=C(CN)C1c2cncc(c2)-c3ccc(F)cc3 -MOL_01_019889,O=C(N=1)C=c(c12)c(ccc2)N3CCN(CC3)CCCOc(c4)ccc(c45)CCC(=O)N5 -MOL_01_019890,CCCc1ncccc1C(=C)N2CCCC(C2)c3nncn3C -MOL_01_019891,c1ccc(n12)N(C(=O)C(C2=O)CC)Cc3ccccc3 -MOL_01_019892,c1cccc(c2)c1n(c23)C(=O)CC(=O)N3CC4CC4 -MOL_01_019893,Clc1ccccc1C2C(CN)=C(N)CC(=C23)c4c(CC3)cccc4 -MOL_01_019894,CNCC(=O)Nc1ccc(cc1)Cc(c2)ccc(c23)n(CN)cc3CN -MOL_01_019895,c1cccc(c12)nc(n(c2=O)C(C)COC)CCC(=O)Nc3cc(C)on3 -MOL_01_019896,CC(C)(C)c(n1)cc(C(C)(C)C)c(c12)ccc3n2cc(n3)C(O)N4CCNC(O)C4 -MOL_01_019897,C=C(N)CN(C1=C)C=Nc(c12)n(nn2)-c3ccc(C)cc3 -MOL_01_019898,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)Cc4ccnc(n4)CN -MOL_01_019899,CCCCc1cccc(C)c1-c2cc(c(CN)c(n2)N)C3CCNCC3 -MOL_01_019900,NCc(c1)c(CN)c(CN)c(c12)C(CC(N2)=C)c3cccc(Cl)c3Cl -MOL_01_019901,Fc1ccccc1C(CC(=C)C)NC(=C)c2ccc(CN)c(n2)-c3ccncc3 -MOL_01_019902,CC1C(=N)N2CCCc(c2c13)cc(c3)NC(=N)CCc4ccc(CN)cc4 -MOL_01_019903,CC(C)(C)OC(O)n1cc(CO)c(c12)cccc2 -MOL_01_019904,OC(O)CN1C(O)/C(CC1=C)=C/c2cc(c3n(c24)nnn4)cccc3 -MOL_01_019905,Cc(c1)cc(c12)ncn(c2O)CC(O)NCC(O)N3CCN(CC3)Cc4ccccc4 -MOL_01_019906,C1CCCN1CCCc(c(CN)c2N)cc(c23)nc(cc3N)-c4ccccc4 -MOL_01_019907,c1ccccc1CN2C(C)=C(C(C)=N)C(NC2=N)c3cccc(C(F)(F)F)c3 -MOL_01_019908,O=C1N=NC(C)=C(C1=2)c3c(N2)ccc(c3)CN -MOL_01_019909,C1=CC(C)=c(c12)cc3c(c2C)=CC(=N)C(=C3C)CCC(=N)N4CCCCC4 -MOL_01_019910,COc1ccc(cc1OC)-c2cc(C(F)(F)F)nc(n2)CCC(=O)N(C)Cc3ccccc3 -MOL_01_019911,c1ccccc1-c2nnc(n2C)CCCCN(CC3)CCC34CCN(CC4)c5ccccn5 -MOL_01_019912,Cn1ncc(c12)c(N)nc(n2)CN(C)CCCc3ccccc3 -MOL_01_019913,Fc1ccccc1N2CCN(CC2)c3cc(CC)nc(n3)CCc4ccc(o4)C(=O)NC5CC5 -MOL_01_019914,Cn1cnnc1CCC(=O)N2CCc(c23)cccc3 -MOL_01_019915,C1CCCC1CNC(=O)C2CC=C(N23)c4c(C3=O)cccc4 -MOL_01_019916,COCOc1ccc(cc1)C(C=C2)=C(C2=3)C(O)=C(C(N3)=O)CN -MOL_01_019917,CCNc1ccc(cc1C)-c2nccn2-c3cc(NC)c(NC)c(c3)NC -MOL_01_019918,CC(C)C(N)NC1CCC(CC1)CCN2CCN(CC2)c3nccc(c34)CCC4 -MOL_01_019919,CCC1(CC)C(O)N=C(N12)c3c(C2O)cccc3 -MOL_01_019920,Cc1cccc(c1)C2CC(c3ccc(C)c(C)c3)=NN2C4=NC(N)CC4 -MOL_01_019921,c1ccnn1-c2cc(ccc2)C(N)N(CCC3(F)F)CC3Nc(n4)ccc(c45)cccc5 -MOL_01_019922,c1cccc(c12)C(C)N(C2C)CCc3nnc(n3C)-c4cccc(c4)CN -MOL_01_019923,NCc1ccc(cc1CN)C(CC(=N)N2)C(=C23)C(=N)CC(C3)c4ccc(F)cc4 -MOL_01_019924,CC1CCN(CC1)c(nc2N)cc(c23)c4c(nc3)cc(c(c4)CN)CCCCN -MOL_01_019925,c1ccccc1-n(n2)c(C)c(c23)c(ccn3)-c4ccccc4N -MOL_01_019926,Cc1cccnc1N(C(=NC2)CC2(C)C)C(O)Nc3ccccc3 -MOL_01_019927,Cc1ccccc1-c(c2)ccc(c2C34CCC(=N3)N)Cc5c4cc(CN)cc5 -MOL_01_019928,OC1C(O)Nc(c12)cc(C)c(c2)-c3ccncc3 -MOL_01_019929,Clc1ccc(cc1)-n2c(nnc2C(C)N(C)C)CCn(c3=O)nnc(c34)cccc4 -MOL_01_019930,c1ccnc(c12)nc(O)c(c2NCC)C(O)N(CC)CC -MOL_01_019931,C1CCCCN1C(C2)C(C(=C)CN)=Cc(c23)cc(CN)cc3NC -MOL_01_019932,Cc(n1)ccc(c12)cccc2NC(O)C3CCC(CC3)NCc(nc4)cc(c45)CCCC5 -MOL_01_019933,N1CNc(c12)ccc(c2)CN(C(C34C(=N)NC)=CCC(C)(C)C3)C(=N)C(C4)CC(=N)N5CCCCC5 -MOL_01_019934,CCCCc1nc(c2c(c13)CCC(C3)C)CCN(C2)C(N)c4cccnc4 -MOL_01_019935,CC(=O)Nc1ccc(=O)n(c1)C(C(C)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_019936,CCC1CCCCN1CC(=O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(=O)CN5CCCCC5CC -MOL_01_019937,CC1CCCN1c(cc(c23)n(C)c(=N)n3C)c(c2)NC(=N)c4ccccc4CN -MOL_01_019938,CC(=N)NCC1CN(C(=N)N1)c2ccc(c(F)c2)-c(c3)ccc(n34)ncn4 -MOL_01_019939,n1cccc(c12)c(=C)n(c2=C)-c3ccc(cc3)CCCCN -MOL_01_019940,COc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C=C(Cl)C4 -MOL_01_019941,NCc1ccc(cc1)Nc(n2)nc(O)c(c23)cc(c(n3)O)-c4ccc(F)cc4 -MOL_01_019942,NCc1cccc(CN)c1C2CCCC(=N)N2Cc(n3)ccc(c34)cccc4 -MOL_01_019943,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)CCC(O)CN4CCNCC4 -MOL_01_019944,c1ccc(c12)n3c(c2)c(N)n(nc3C)CCCC(N)NCc4cccc(c4)CN -MOL_01_019945,Cc(c1)c(C)cc(c12)ncn2C(C(C)C)C(O)NC3CC3 -MOL_01_019946,NCc1cc(cnc1)-c2nc(C)c(C)nc2CCC3CC3c4ccc(cn4)CN -MOL_01_019947,N1CNc(c12)cc3c(c2)C(C)(C)N(C3N)CCC4CCN(CC4)Cc5cccc(F)c5 -MOL_01_019948,CNc1ccc(cc1NC)-c(n2)c(c(N)c(c23)ccc(c3)NC)NCCCCCN4CCN(C)CC4 -MOL_01_019949,Cc1ccccc1-c2nnc(o2)CCC(=O)N3CCCc(c34)cccc4 -MOL_01_019950,Cc1ccc(nc1)NC(=O)c2cn(C)nc2C(C)(C)C -MOL_01_019951,c1ccccc1C(N)c(n(c23)ccc(c2)C(C)N)c(c3)-c4ccccc4 -MOL_01_019952,C1CCCCN1CC(C)Cn(cc2)c(=O)c(C(=O)C3)c2C34CCCCC4 -MOL_01_019953,Fc(c1)c(N)ccc1-c(c(c23)ccc(N)c2)c(c(n3)N)-c4ccc(N)c(F)c4 -MOL_01_019954,c1ccccc1-n2n(C)c(C)c(c2=N)NC(=N)C34CC5CC(C3)CC(C5)C4 -MOL_01_019955,NCc1ccc(nc1)-c2cc(cc(C(F)(F)F)c2)CNCC3(CCNCC3)c4ccccc4 -MOL_01_019956,CCc(c1)c(CC)cc(c12)N=CC3N(C2C)C=C(C3)c4ccc(N)cc4 -MOL_01_019957,CCOC(=O)C1C(C)=NC(=O)N=C1c2ccc(o2)-c3ccc(C)cc3 -MOL_01_019958,CCCC(=N)c1cc(C(=N)CN)c(C)nc1N2CCC(CC2)NC3CCCCC3 -MOL_01_019959,Clc1ccc(cc1)CCNC(=N)c2cccc(c2)C3CCC(=N)N3c4ccccc4CN -MOL_01_019960,CCCC(=N)c1c(C)c(c(C)n1CC)C(=N)NCc2ccc(Cl)cc2 -MOL_01_019961,CCC(CC)n1c(C)nc(c12)C(O)c3c(C2O)cccc3 -MOL_01_019962,CNc1cccc(c1)-c2cc(ccc2NC)C(N)Nc(c(n3)N)cc(c34)ccc(c4C)NC(C)N -MOL_01_019963,CC(C)(C)NC(=O)CCc1nc(=O)cc(C)n1-c2ccccc2CN -MOL_01_019964,Cn1c(=N)ccc(c12)ccc(c2)-c3ccc(cc3)CC(CN)NC(=N)C4CCCCNC4 -MOL_01_019965,COc1c(OC)cc(cc1OC)C(O)Nc2cc(C)ccc2OCc(n3)cc(O)n(c34)cc(c4)C -MOL_01_019966,C1CCCCN1CC(O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(O)CN5CCCCC5 -MOL_01_019967,CCn1cc(C(=O)C)c(=O)c(c12)cc(C)c(c2C)-n3cccc3 -MOL_01_019968,c1ccccc1CC(CC)NC(=N)CCc(n2)nc(N)c(c23)cccc3 -MOL_01_019969,Cc1ccccc1NCc(n2)cc(N)n(c23)c(cc3)-c4ccccc4 -MOL_01_019970,Nc1ccc(cc1N)CCCC(=O)N2CCN(CC2)c3cnccn3 -MOL_01_019971,NCc1ccc(cc1CN)CNC(=N)c2cc(-c3cccc(Cl)c3)cnc2-c4cccnc4 -MOL_01_019972,Cc1ccc(cc1)NC(N)C(N2)CCc(c23)cccc3 -MOL_01_019973,Cn1cncc1C(N)(c2ccc(CN)cc2)/C=C/c3ccc(CN)cc3-c4cccc(c4)CN -MOL_01_019974,C1=NN=C(C1=2)N=C(N2)c3cc(ccc3C)NC(=O)c4cc(cc(c4)C(C)(C)C)N5CCOCC5 -MOL_01_019975,c1cnccc1-c2cnc(C)c(c2)NC(C)c3ccc(CN)cc3 -MOL_01_019976,N=C(N)c1ccc(cc1)CN(C(=N)c(c23)ccc(Cl)c3)C(C(=N)N2)Cc4cccnc4 -MOL_01_019977,N=CCN(CC1)CC(=C12)c3c(CC2(N)N)cc(cc3C)C(N)CCc4ccc(F)cc4 -MOL_01_019978,c1nccc(c12)C(C)c3c(C2C)c(NCCNC(C)C)ccc3NCCNC(C)C -MOL_01_019979,c1ccccc1C(C)c2cccc(c23)nc(CN)c(n3)-c4ccccc4 -MOL_01_019980,Cc1cccc(c1)-c2nnc(n2C)CCc3cc(O)nc(c34)cccc4 -MOL_01_019981,c1cnccc1C2C(CN)=C(N)Cc(c23)c4c(cc3N)cccc4 -MOL_01_019982,CNc(c1)ccn(c12)c(cc2C(N)NCC)C(N)CCc3ccc(cc3)-c4ccccc4 -MOL_01_019983,c1ccc(c12)nc(C)n(c2C)CCCCC(C)NCc3cccnc3 -MOL_01_019984,Fc1ccccc1C2C(CN)=C(N)CC(=C23)c4c(CC3)cccc4 -MOL_01_019985,CNc1ccc(cc1)C(=Nc(c23)cccc3)C(C(=N)N2)N(C(C)=N)CCc4cc(NC)cc(c4)NC -MOL_01_019986,Cc1ccc(cc1)C(N2N)C(N)c(c23)cc4c(c3)NCN4 -MOL_01_019987,Cn1cnnc1-c(cc(n2)C)c(c23)cccc3CCc4c(Cl)cncc4Cl -MOL_01_019988,CCN(CC)CCCCC1CCN(CC1)CC(N)N2c(cccc3)c3NC(N)c(c24)cccc4 -MOL_01_019989,c1ccccc1CNc2c(C(C)=N)c(C)n(c(n2)=N)-c3ccccc3 -MOL_01_019990,c1ccccc1C2C(CN)=C(N)N(C=C2C(=N)CN)c3cccc(c3)CCc4ccccc4 -MOL_01_019991,CCCc1cc(N)nc(c12)cc(cc2)NCC(N)N3CCC(C(N)N)CC3 -MOL_01_019992,C1CN(C)CCC12N(CN(C2O)CC(C)O)c3ccccc3 -MOL_01_019993,c1ccccc1C(=N2)C(=C(C23)C(=O)N=C(N=3)N)CCc4ccccc4 -MOL_01_019994,Cn1c(=N)n(C)c(c12)cc(cc2)NC(=N)CCc3cc(CN)ccc3CN -MOL_01_019995,COc1ccc(cc1)C2=NN(C3=NC(=O)CC3)C(C2)c(c4)ccc(c45)cccc5 -MOL_01_019996,COc1ccccc1NC(=O)c2cnc(n(C)c2=O)CCC(=O)N3CCOCC3 -MOL_01_019997,c1cccc(c12)n3c(nc2O)cc(n3)C(O)NCCCN4CCCCC4 -MOL_01_019998,Cc(c1)c(C)cc(c12)N(O)C(CN)=C(N2O)c3ccc(F)cc3 -MOL_01_019999,CCCC(N)c1cnn(-c2ccc(Cl)cc2)c1NC(N)c(c(N)c3)cc(c34)cc(C)cc4 -MOL_01_020000,n1ccn(c12)c3c(nc2C)cc(C(C)(C)C)c(c3)-n4ccnc4 -MOL_01_020001,Clc(c1)ccc(c12)NC(N)NC2(C3CC3)/C=C/c4ccccc4 -MOL_01_020002,C=C1CC(C)(C)CC(=C12)CC(N)=C(CN)C2c3ccccc3CC(=C)N4CCCCC4 -MOL_01_020003,Cc1ccc(C)c(c12)N(CCC2)C(N)c3cn(nn3)CC(N)N(C)C -MOL_01_020004,Cc1ccc(cc1)-c2nc(N)nc(C)c2CN -MOL_01_020005,NCc1cnc(cc1)C(=C)Nc2ccc(C)c(c2)C3(C)C=C(C)CC(=N3)N -MOL_01_020006,NCc1cnc(cc1)-n2nc(CCN)c(c2N)Cc3ccccc3 -MOL_01_020007,c1cc(F)ccc1C2C(C(=C)CCCCN)=C(C)NC(=C23)CC(CC3=C)c4ccc(CN)c(c4)CN -MOL_01_020008,CNc1ccc(cc1)-c(c(N)c2C(N)N)nc(c23)c(C)c(C)cc3 -MOL_01_020009,Fc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)-c4ccco4 -MOL_01_020010,CNc1cccc(NC)c1C2CCCCC(N)N2Cc3cncc(c3)-c4ccccc4 -MOL_01_020011,Cc1ccccc1-c(c2)ccc(c23)nc(nc3N)-n4cc(cn4)C(C)N -MOL_01_020012,CNc1cnc(cc1)-n2nc(NCC)c(c2C)Cc3ccccc3 -MOL_01_020013,c1cccc(c12)cc(O)c3c2ncn3CCCN4CCCCC4 -MOL_01_020014,C=C(C)NC(C)c1ccc(cc1)CC2CCN(C2)c3nc(N(C)CC(F)F)ncc3F -MOL_01_020015,n1ccnn1-c2ccc(C)nc2C(C)N3CCCCC3Cc4cccc(c4)-n5nccn5 -MOL_01_020016,NCc(c1)ccc(c12)n3c(n2)Cc4c(N=C3N)cccc4 -MOL_01_020017,c1cccc(c12)CCC(=O)N2Cc3cn(nn3)CCc4ccccc4 -MOL_01_020018,c1ccccc1Cn2nc(C)c(c2Cl)C(=O)CC(C)C(=O)Nc3ccc(F)cc3Cl -MOL_01_020019,c1ccc(c2c13)C(C)=C(C(=C)N2CCC3)C(=C)Nc4ccccc4C(=C)CN -MOL_01_020020,CCc1cccc(c12)cc(o2)-c3nnc(n3C)CCC(N)NCCc4ccccc4 -MOL_01_020021,CN1CCC(CC1)CNC(O)c(n2)cc(n23)nc(O)c4c3cccc4 -MOL_01_020022,c1cccc(c12)c3c(c2=C)c4c(cc(N)cc4)c(=C)n3CCCn5ccnc5 -MOL_01_020023,CC(=O)NCC1CCCN(C1)C(=O)c2ccc(cc2)CC3CCN(CC3)Cc4ccccn4 -MOL_01_020024,c1ccccc1-n2n(C)c(C)c(c2=N)NC(=N)CCc(c3)ccc(c34)cccc4 -MOL_01_020025,CC(O)Nc1cc(CC)cc(c12)CCCN2C(C)O -MOL_01_020026,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CC)CNC(=O)N3CCCCC3 -MOL_01_020027,CC(=O)c(c1C)cnc(c12)c(C)c(c(c2)C)-c3cc(C)nc(C)c3 -MOL_01_020028,NCc1c(CN)cc(cc1CN)C(=C)N2N=C(c3ccccc3CN)CC2c(c4)ccc(c45)CCC5 -MOL_01_020029,CNc(c1)cc(N)c(c12)c(N)cc(n2)-c3cc(N)c(N)cc3Cc4ccccc4 -MOL_01_020030,CCOC(=O)C1CCN(CC1)C(=O)c(c2)ccc(c23)CC(\C(=O)N3)=C\c4cccc(C)c4 -MOL_01_020031,CCCCCC(=O)NCC1CCN(CC1)c2ncnc(C)c2/C=C/c3ccc(N)nc3 -MOL_01_020032,Nc1c(N)c(C(C)C)cc(c1C23C)CC(N)=C2C(C)(C)CCC3 -MOL_01_020033,Cc1ccc(cc1F)NC(N)CCC(N)N2Cc(cccc3)c3Cc(c24)nccc4 -MOL_01_020034,C=C(N)C1CCC(N1)c2cn(-c3ccccc3)nc2-c4ccccc4 -MOL_01_020035,c1cccc(c12)c(c(C)n2C(C)C)NNC(=O)CNC(=O)c3cccnc3 -MOL_01_020036,CNC(=N)c1cccc(c12)c3c(cc2C)N(CC3CCl)C(=N)CC(C)(C)C -MOL_01_020037,C1CC(CC2)c(c3N12)nc(c(c3)CN)CCC(=O)Nc4ccc(Cl)cc4 -MOL_01_020038,c1ccccc1CC(C(=O)Nc(c23)cccc3)NC2c4ccccn4 -MOL_01_020039,Nc1ncnc(c12)CC(C)(C)C(N2)c3ccc(cc3)C4CCC(CC4)CC(N)O -MOL_01_020040,Cc1ccc(n12)ncc(c2O)-c3ccnc(n3)N4CCCN(C)CC4 -MOL_01_020041,CNCC(=C)Nc1ccc(cc1)Cc(c2)ccc(c23)n(CC)cc3CN -MOL_01_020042,CC(C)CC(CO)Nc1nc(nc(c1=2)=NC(=O)C2)CC(C)c3ccccc3 -MOL_01_020043,Nc(c1)c(N)cc(c12)CCCCC2NCc3nnc(n34)CCCCC4 -MOL_01_020044,NCc1ccccc1NC(N)Nc(c2N)c(nc(c23)cccc3)-c4cccc(F)c4 -MOL_01_020045,CC(=N)c(c1=N)cn(C(C)(C)C)c(c12)cc(cc2)N3CC(C)NC(C)C3 -MOL_01_020046,C1CCCC1NC(=N)C(c2cccnc2)N(C(=N)c3ccco3)CCc4ccccc4 -MOL_01_020047,CNc(c1)c(NC)cc(c12)c(C)nc(N)c2Cc3cccc(n3)-c4ccncc4 -MOL_01_020048,c1ccccc1-n2c(C)c(CC)c(=O)nc2CCC(=O)NC(C)(C)C -MOL_01_020049,Fc1ccccc1CNC(=N)CCn2c(=N)c(ccc3)n3c(c24)ccc(F)c4 -MOL_01_020050,c1cccc(c12)C(C3CC(=N)CC3)N(CC2)C(=N)CCc4ccccc4 -MOL_01_020051,NCc1ccc(CN)cc1-c2nc(C)nc(c2)C34CC5CC(C3)CC(C5)C4 -MOL_01_020052,Cc1ccc(cc1C)N2CC(CC2=N)C(=N)N(CC3)CCC34CC(=N)c5c(N4)cccc5 -MOL_01_020053,Nc1cc(C(C)C)c(NC)c(c1C23C)CCC2C(C)=C(C(N)N)CC3 -MOL_01_020054,CNc(c1)ccc(c12)C(N)C(=N2)C3C(N)=Nc(c34)cccc4 -MOL_01_020055,FC(F)(F)c1ccc(cc1)N(C=C(C(=C)N)C2=C)c(c23)cc(cc3)-c4ccncc4 -MOL_01_020056,NCc1cccc(CN)c1C2CCCC(N)N2Cc3cc(ccn3)-c4ccccc4 -MOL_01_020057,CCCCc(n1)cc(n12)nc(cc2N)CNC(N)c3ccc(cc3)NC(N)CCc4ccccc4 -MOL_01_020058,C1CCCc(c12)ccc(c2)C(C)CN(CC3)CCC3(CN)C(=O)Nc4ccnc(c45)ccc(n5)CN -MOL_01_020059,Cc1ccc(cc1C)N2C(C(=C)C)CC(=C)N=C2Nc3nc(C)cc(n3)C -MOL_01_020060,Cc1ccc(cc1C)CCc(n2)cc(n23)nc4c(c3N)cccc4 -MOL_01_020061,C1CCCCC1N(C)c2nccc(n2)-c(c3O)cnc(n34)cc(Cl)c4 -MOL_01_020062,CNc1ccccc1CN(C(=N)c(c23)cccc3)C2C(=N)NC4CCC(C)CC4 -MOL_01_020063,NCC(=C)c1ccc(cc1)C(=C)NCC(C2)Cc(c23)cccc3-c4ccc(cn4)C(=C)CN -MOL_01_020064,O=C(C=1)C=Cc(c12)cc=3c(C=CC3)c2CCc4cn(nn4)Cc5ccccc5F -MOL_01_020065,NCc1ccc(cc1)C2(C)CC(=C)C(=C2Cc3ccccc3)c4cc(CN)ccc4CN -MOL_01_020066,Nc1cc(nc(n1)N)NCC2CC(N)Nc(c23)cccc3 -MOL_01_020067,c1cccc(c12)nc(nc2N)CCc3ccc(C(F)(F)F)cc3 -MOL_01_020068,CCCC(=O)C(CC)(CC)NC(=O)c1ccc(N(C2)CC2(F)F)c(n1)CCC3CC3 -MOL_01_020069,CC(C)c1ccc(cc1)NC(N)C(C2)Cc(c23)nccc3-c4cccc(F)c4 -MOL_01_020070,NCC(N)Nc(c(c12)C=CC2)n(n1)-c3cccc(Cl)c3 -MOL_01_020071,NCc1cnc(cc1)NC(=C)C(C2)C2(c3ccccc3)CCc4cn(CC)nc4C -MOL_01_020072,c1ccccc1C(N2CCC2=O)C(=O)NCC3N=Nc(c34)cncn4 -MOL_01_020073,Cc1nc(C(C)(C)C)nc(c12)n3c(n2)CCC3 -MOL_01_020074,CC(=N)Nc1ccc(cc1)-c2ccnc(c23)CC(C3)C(=N)NCCc4ccccc4 -MOL_01_020075,c1ccnnc1C(CC(C)C)NC(O)c2ccc(N(C3)CC3(F)F)c(n2)CCC4CC4 -MOL_01_020076,Nc1cnc(cn1)-c2c(C)c(CC(N)N)c(cc2)C3CCCC3 -MOL_01_020077,Clc(c1)ccc(c12)C(=N)NC(C(=N)N2C)Cc3ccc(cc3)-c4ccncc4 -MOL_01_020078,NOc1ccc(cc1)-c2nnc(n23)CCC(=N3)c4ccc(NO)cc4 -MOL_01_020079,c1cccc(c12)ccc(c2)C3=C(N)C(C(C)C)N(C3=N)Cc4cccc(F)c4 -MOL_01_020080,Fc1ccc(cc1F)C(N)c2ccc(cc2)CN(CC3)CCC34c5c(CN4)cc(F)nc5 -MOL_01_020081,c1cccc(c12)C(O)c3c(C2O)nc(-c4ccccc4)c(n3)-c5ccccc5 -MOL_01_020082,CCCc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_020083,N1CCCC1CNC(=N)c(c(c23)cc(C(C)C)cc2)cc(n3)-c4ccc(cc4)NC -MOL_01_020084,CNc1cccc(NC)c1C2CCCC(N)N2Cc3cncc(c3)-c4ccccc4 -MOL_01_020085,Cc1cccc(c1C)NC(N)CCC(N)c2nn(cc2O)-c3ccccc3C(F)(F)F -MOL_01_020086,c1cccc(c12)C(N)c3c(C2N)cc(nc3C)-c4ccc(F)cc4 -MOL_01_020087,CC(C)Cc1cc(n(n1)C)C(=N)N2CCCC(C2)C(=N)c3cc(F)ccc3F -MOL_01_020088,c1cccc(c12)c3c(o2)c(nc(n3)C)CCC(=O)Nc4ccc(C)c(F)c4 -MOL_01_020089,c1cnnn1CC2CC(=C)N(C2)c3ccc(c(C)c3)-c4ccc(nc4)C(C)CC -MOL_01_020090,Cc1cccc(c1)C2=Cc(cc(C)cc3)c3C24C(N)c5c(C4N)cccc5 -MOL_01_020091,CCOC(=O)c1cc(CN)c(nc1O)CCC(=O)Nc2ccc(C(=O)C)cc2 -MOL_01_020092,O=C1OCC(C)C(=O)NC(C(=O)OC)CCCc(c12)c(O)cc(c2C)OC -MOL_01_020093,Cc1ccc(cc1)NC(N)N(C2CCN)CCn(c23)c(N)cc3 -MOL_01_020094,Cc1ccc(cc1)Nc(n2)cc(n(c23)ncc3)Cc4c(C)cc(CN)cc4C -MOL_01_020095,Cc1ccc(cc1C)-n2nc(C)c(c2N)NNc3c(C)cc(C(C)N)c(c34)cccc4 -MOL_01_020096,ONc(n1)cn(c12)CC(CC2)CCc3cncc(c3)-c4ccc(F)cc4 -MOL_01_020097,C1CCCc(c12)cc(nc2C(C)(N)N)-c(nc3C(C)(N)N)cc(c34)CCCC4 -MOL_01_020098,O=C(N1)CCc(c12)ccc(c2)C3=C(C(=O)CC3)c4ccc(F)cc4 -MOL_01_020099,NCc1ccc(cc1)CN(CC=C)C2=CC(=NN(C)C2=C)CCC3CC3c4ccc(cn4)CN -MOL_01_020100,ClC(=C1)CC(C12)NC(=O)C(=C2O)c3cccc(c3)Oc4ccccc4 -MOL_01_020101,Clc1ccc(cc1)C2NC(=N)NC(C)=C2C(=N)Nc3cc(C)ccc3C -MOL_01_020102,c1cccc(c12)cc(C)c3c2CC(=C(CN)C3c4ccc(CN)c(c4)CN)NC(C)CN5CCCCC5 -MOL_01_020103,c1ccccc1C2C(C(N)NC)=C(C)N(CC)C(=N2)NCc3cc(NC)c(NC)c(c3)NC -MOL_01_020104,Clc1ccc(cc1)C(=N)CCc2nc(C)cc(C)c2C(=N)Nc3ccccc3CN -MOL_01_020105,c1cccc(c12)C3N(C2=O)C(CC3)C(=O)NCc4ccccc4 -MOL_01_020106,c1ccccc1-c(c2)cc(c23)nc(n(C)c3O)NCCc4ccncc4 -MOL_01_020107,CCCC(N)C1CCN(CC1)CC(N)Nc(n2)cc(C)c(c23)c(N)cc4c3cccc4 -MOL_01_020108,Cc1ccc(cc1N)C(N)c2cc(CN)cc(n2)-c3cccc(N)c3C -MOL_01_020109,CCN(CC)C(N)c1ccc(nc1)C(=C2)c(cccc3)c3CC24CCNCC4 -MOL_01_020110,C1CCC(N)=NC1(C)c2cc(ccc2C)NC(O)c3ncccc3CN -MOL_01_020111,Cc1cccc(c12)CCCN2C(O)c3cn(nn3)CC(O)N(C)C -MOL_01_020112,CCCC(N)c(c1CCC)cnc(c12)ccc(c2)CCc3ccc(nc3)NCCN -MOL_01_020113,c1ccccc1C(CC2=O)(c3ccccc3)N(C24)CCN(C4)C(=O)NCc5ccc(F)cc5 -MOL_01_020114,COc(c1)ccc(c12)N(O)C(=C(N2O)CN)c3ccccc3 -MOL_01_020115,c1cccc(c12)CCCN2C(=O)CCc3nnnc(c34)cccc4 -MOL_01_020116,C1CCCC1CNC(=O)CCc2n(CC)c(nn2)-c3ccccc3CN -MOL_01_020117,Fc1ccccc1NC(=N)Cn2c(nc(c23)cccn3)CCc4ccc(F)cc4 -MOL_01_020118,Clc1ccccc1CNC(=O)CCC(=O)N2Cc(cccc3)c3Cc(c24)nccc4 -MOL_01_020119,C1CNCCC12C(=N)N(c3c(N2)cccc3)Cc4cccc(c4)CN -MOL_01_020120,NCc1cccc(CN)c1C2CCCC(=O)N2Cc3cccc(c3)-n4nccn4 -MOL_01_020121,C1CC1C(=N)Nc2cc(-c(c3)ccc(c34)CNC4)nc(n2)-c5ccccc5 -MOL_01_020122,Fc1ccccc1-c2cc(ccc2)C(N)NCC(C3)Cc(c34)cc(F)cc4-c5cnccn5 -MOL_01_020123,c1ccccc1C(N)NC2CCC(CC2)CCN3CCN(CC3)c4nccc(c45)NCC5 -MOL_01_020124,CNc1cccc(c12)C(N)C(C2)CC3CCN(CC3)Cc4ccccc4 -MOL_01_020125,NCc(c1)ccc(c12)C(C(=N)NC(C)(C)C)N(C2=N)Cc3ccccc3-c4ccccc4 -MOL_01_020126,CCCCCc(n1)nc(N)c(c12)NC(C)C(N2)Cc3cccc(c3)CN4CCCC4 -MOL_01_020127,c1cccc(c12)c(C3=NC(C(=O)N)CC3)nn2CCCC -MOL_01_020128,Cc(c1)ccc(c12)n(cc2CN)-c3ccc(C(C)O)c(C)c3 -MOL_01_020129,CCc1cc(C(C)C)c(cc1N)Cc2cnc(N)nc2NC(=O)c3cccn3C -MOL_01_020130,Clc1cc(ccn1)-n2c(=C)c(c(Cl)c2=C)N3CCN(CC3)c4ncccn4 -MOL_01_020131,CN(C1)CNc(c12)nc(N)c(NN)c2-c3ccccc3 -MOL_01_020132,c1ccc(NC)c(c12)ncc(C(N)NCCC)c2Nc3ccccc3C -MOL_01_020133,Cc1ccc(cc1)C2=NN(C(=N)c3cccnc3)C(C2)c4ccc(CN)c(c4)CN -MOL_01_020134,CC1(O)CCN(CC1)C(=O)c2ccc(N(C3)CC3(F)F)c(n2)CCC4CC4 -MOL_01_020135,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CC)CCc3ccccn3 -MOL_01_020136,NC(N=1)=NC(=O)C(C12)=NC=C2C(=O)c3ccc(N)cc3 -MOL_01_020137,CCc1cc(CC)cc(c1)C(O)c2c(C)c(CN)c(n23)cccc3 -MOL_01_020138,CNC(O)CCc1c(CCC(O)NC)c(n(C)c1C)-c2ccc(C)cc2 -MOL_01_020139,CCc1c(CN)c(c(C(N)N)n1C)-c2ccc(cc2)-c3cccc(C)c3 -MOL_01_020140,Clc1ccc(n12)c(ncn2)NC(=NCC3)CC34C5CCN(C4)CC5 -MOL_01_020141,C1CC1c(n2)cc(n23)nc(cc3N)CNC(N)c4ccc(cc4)NC(N)c5ccccc5 -MOL_01_020142,CCNC(=N)c1cccc(c1)NC(=N)c2cn(c(=N)c(c23)cccc3)-c4cccc(c4)NC -MOL_01_020143,NCc1c(CN)cccc1C(C2)CC(C)=C(C2=3)Cc4c(N3)ccc(Cl)c4 -MOL_01_020144,Cc1cccc(n1)N2C(=N)C=CC2c3ccc(cc3)-c4cccnc4 -MOL_01_020145,c1ccccc1C2C(CN)=C(N)CC(=C23)CC(NC3=N)c4ccccc4 -MOL_01_020146,NCC(=C)c1ccc(cc1)NC(=C)CC2C(=C)N(c3cccc(N)c3)C(=C)N2C4CCCC4 -MOL_01_020147,c1ccccc1-c2cccc(c23)C(=N)N(CC3)CCCCN4CCN(CC4)c5ccccc5CN -MOL_01_020148,COc1c(C)cnc(c1C)CC(O)c2nnc(o2)-c3cccc(Cl)c3 -MOL_01_020149,CC(N)c(c1N)cnc(n12)nc(n2)CCc3ccccc3N -MOL_01_020150,CC(=N)CC1CCn(c12)c3c(c2)cc(cc3)CCc4ccc(CN)c(C(F)(F)F)c4 -MOL_01_020151,NCc1ccc(cc1)CCc2cn(nn2)CCCCN(C(N)C3N)c(c34)cccc4 -MOL_01_020152,Nc1cc(ccc1)CN(C)c(n2)nc(N)c(c23)cc(CN)c(c3)CN -MOL_01_020153,CCC1CN(C(O1)O)c2ccc(c(C)c2)-c3ccc(nc3)-c4nnn(n4)C -MOL_01_020154,C=CCCC(N)c1cc(n(c12)cccc2)C(N)c3ccc(Cl)cc3 -MOL_01_020155,c1cccc(c12)CCN2C(N)CN(C(N)CC3)c(c34)cc(Cl)cc4 -MOL_01_020156,Cc1cc(C)cc(c1)-c2cnc(-c3cccnc3)c(c2)C(=N)NCc(c4)ccc(c45)CNC5 -MOL_01_020157,c1cccc(c12)CCC(NC(=C)C(C)NC)C(=C)N2Cc3ccccc3CN -MOL_01_020158,NCc(c1)ccc(c12)nccc2NC(=N)CNCc3ccc(cc3)-c4ccccc4 -MOL_01_020159,c1ccccc1C(C)CNC(=N)C2CCN(CC2)C(=N)N3CCCc(c34)ccc(Cl)c4 -MOL_01_020160,Cc1cc(CN)ccc1-c2cc(nc(n2)N)-c3ccc(Cl)cc3 -MOL_01_020161,o1nccc1CN(CC2)C(c(c23)nnn3C)CCCc4ccccc4 -MOL_01_020162,CNc1ccccc1-c(c2N)cnc(c23)cc(cc3)NCC(N)NCc4ccccc4 -MOL_01_020163,C1CC1NC(N)c2c(CN)c(N)nc(c2)-c3ccc(Cl)cc3Cl -MOL_01_020164,Cn1nc(N)c(c1N(C)C)CNC2CCCc(c23)c(N)ccc3 -MOL_01_020165,CCOC(O)c1cc(C)c(c12)c(O)n(nn2)CC -MOL_01_020166,CCCC(=N)C1(C)C=C(Nc(cc2C)ccc2)C(=N)N1c3ccccc3 -MOL_01_020167,Cc1cc(=N)n(CC)c(c12)CC(C)(C)CC2=N -MOL_01_020168,C1CCCCN1CCCN(C2=C)C(=C)CC(C2=3)c4c(CC3N)cc(cc4)CN -MOL_01_020169,c1ccnc(c12)CCC2C(=O)NC(CO)c3ccc(Cl)cc3Cl -MOL_01_020170,CC(C)Cn1c(=N)n(C)c(=N)c(c12)cn(c2)Cc3cccc(c34)cccc4 -MOL_01_020171,Clc1ccc(cc1)CCNC(=N)C2CCCN(C2)c3ccnc(n3)N -MOL_01_020172,CNc(c(N)c1)cc(c12)CCN3C2Cc4c(C3)c(NC)c(cc4)NC -MOL_01_020173,C=C1CN(CCN1)C(=C)c2ccc(cc2CC)-c3ccnc(CC)c3/C=C/c4ccc(N)nc4 -MOL_01_020174,Clc1ccc(cc1)-c2ncc(C)c(n2)N(C)CCCNc(c3)ccc(c34)C(CC4)CC(N)N -MOL_01_020175,NCc1nc(N)nc(c12)NC(C(=O)N2)Cc3ccccc3 -MOL_01_020176,c1ccccc1CC(C(=N)CN)NC(=N)c(n2)cc(c(c23)cccc3)C45CC6CC(C4)CC(C6)C5 -MOL_01_020177,c1ccncc1-c2c(CN)c(C)nc(n2)NCCN3CCCCC3 -MOL_01_020178,CC(=N)NCC(CC1)=C(C(=N)NC(C)(C)C)N(C12)C(=N)C2NC(=N)c3ccccc3 -MOL_01_020179,O=C(O)CN1C(=O)/C(CC1=C)=C/c2ccc(o2)-c3ccccc3N(O)O -MOL_01_020180,Cc1ccccc1NC(O)Nc2nnc(o2)-c3ccc(Cl)cc3 -MOL_01_020181,Cc(c1)ccc(c12)c3c(=N2)c=4c(cc3)C(=CN4)C=O -MOL_01_020182,CC(=O)c1ccc(cc1)NNC2C(=O)N(N=C2C)C(=O)CC(=O)Nc3ccccc3 -MOL_01_020183,C1NCc(cc2)c1c(C3CN)c2C=C(N34)c5c(CC4)cc6c(c5)CNC6 -MOL_01_020184,NCc1cc(ccc1)C(CC2=O)C(CN)=C(N23)CCN(C3)C4CCCCC4 -MOL_01_020185,Clc(c1)cc(Cl)c(c12)C(CC(N2)C(C)=N)C(=N)CCc3ccccc3 -MOL_01_020186,c1cccc(c12)CC(C)C(=C)N2CC(=C)N(C3CCCC3)Cc4ccc(CN)cc4CN -MOL_01_020187,O=C(C)N1N=C(NC(=O)C)CC1(C)c2cccc(c23)cccc3 -MOL_01_020188,CNc(c1)ccc(c12)nccc2C3CN(C(N)N3)C4CCN(CC4)Cc(c5)ccc(c56)cccc6 -MOL_01_020189,Fc(c1)ccc(c12)N(O)C(=C(N2O)CN)c3ccc(F)cc3 -MOL_01_020190,CCCc1cc(N)nc(c12)cc(cc2)NCC(N)N3CCc(c34)cccc4 -MOL_01_020191,Cc1ncccc1Cc2ncnc(c2C)N(CC3)CCC3(O)CO -MOL_01_020192,CN1CCN(CC1)c(c(c2)CN)nc(c23)c(N)ccc3N -MOL_01_020193,CC(C)(C)c1ccnc(c12)cc3c(c2)CCC(N3)(N)N -MOL_01_020194,CC(C)(C)c1ccc(cc1)-c2cc(ncn2)Cc3cccc(c34)ncc(n4)N -MOL_01_020195,CCC1CCCCN1CC(N)Nc(n2)cc(C)c(c23)c(N)cc4c3cccc4 -MOL_01_020196,NCc1ccccc1CNC(=C)CCC(=C)N2Cc(cccc3CN)c3Cc(c24)nccc4 -MOL_01_020197,CCC(CC)Nc1nccc(n1)-c(c2C)cnc(n23)cc(c3)C -MOL_01_020198,c1ccccc1CN(C)C(N)c(c2)cc(c23)c(N)n(C)c4c3cccc4 -MOL_01_020199,C1CCCc(c12)c(N)nc(n2)CN(C(C)C)C(N)CCc3ccccc3 -MOL_01_020200,CCc1ccc(CC)c(c12)c(N)c(cn2)C(N)NC34CC5CC(C3)CC(C5)C4 -MOL_01_020201,CC(O)c(n1)nn(c12)c3c(nc2C)cc(Cl)c(Cl)c3 -MOL_01_020202,Fc1ccc(cc1)C(N)CNC(N)c2cc(nc(c23)c(Cl)ccc3)-c4ccccc4 -MOL_01_020203,Clc1cc(ccc1)C(C2)C(n3cncn3)C(=N)c(c24)cccc4 -MOL_01_020204,CCC(CC)Nc1cccc(c12)nc(c(c2)C)Cc3c(CN)cc(CCN)cc3CN -MOL_01_020205,NCc1ccc(CN)cc1-c2cc(-c3ccc(C)cc3)nc(n2)NCCCN4CCCCC4 -MOL_01_020206,CCC(O)c1nn(cc1C)-c(c2)ccc(c23)N(CC3)C(C)O -MOL_01_020207,Cc1ccnc(c12)ncnc2N -MOL_01_020208,c1ccccc1N(CC)CCCNC(=N)CCc2cc(=N)n(CC)c(c23)cccc3 -MOL_01_020209,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CC)CCC(=O)NCc3ccccc3 -MOL_01_020210,CCNc1ccccc1-c2cc(nc(N)c2CN)-c(c3)ccc(c34)NCN4 -MOL_01_020211,c1cccc(c12)c(c(O)n2CC)NNC(=O)Cn3ccc(n3)C(C)(C)C -MOL_01_020212,CNC(O)Nc1ccc(cc1)-c2ncc(CN)c(n2)N3CCCCC3 -MOL_01_020213,NCc1ccccc1C(=C)NC(C(=C)N2)N=C(c3ccccc3)c(c24)cc(CN)c(c4)CN -MOL_01_020214,CNC(C)CCc(nc(n12)CCC2)c1CCC(C)NC -MOL_01_020215,O=c1n(C)c(CC)nc(c12)nc(cn2)C(C)C(C)CC -MOL_01_020216,c1cccnc1-c2ncc(CC)c(n2)N3CCCCC3 -MOL_01_020217,Cc1ccc(C)c(c1)NC(=O)C(c2ccccc2)CC(=O)c3ccncc3 -MOL_01_020218,Cc1cc(C)c(c(C)c1)CC(N)CC(N)N(C2)CCn(c23)c(nn3)C(C)(C)C -MOL_01_020219,Cc(n1)cc(N)c(c12)CNc3c2cc(N)c(c3)N -MOL_01_020220,CC1CCCCC1n(c2=N)cnc(c23)c4c(cccc4)c(c3)Cc5ccc(CN)nc5 -MOL_01_020221,OCc1cc(C(C)(C)C)c(cc1C)CC(=C(O2)O)C(=O)CC2(C(C)C)CCc3cncnc3 -MOL_01_020222,CNc1ccc(cc1)CCC(N)c2c(N)c(C=CC(N3)(C)C)c3c(c24)CC(N4)C(C)(C)N -MOL_01_020223,c1ccccc1-c(cc2N)nc(c23)cc(NCc4ccccc4)c(c3N)NCC(N)N5CCNCC5 -MOL_01_020224,CCc1cc(ccc1F)CNC(O)c2cc(nc(n2)C)-c3nnn(n3)CC4CCC(CO)CC4 -MOL_01_020225,Cn1nc(cc1N)CCc(c2)ccc(c23)c4c(N(C3)CN)c(N)ccc4 -MOL_01_020226,Clc(c1)ccc(c12)Cc3c(N=C2)c(ncn3)N4CCCCC4 -MOL_01_020227,CN(C)c1c(CN)c(N)c(CN)c(n12)nc3c2cccc3 -MOL_01_020228,c1cccc(c12)ccc(CN)c2C3CCCC(N)N3Cc4cccc(c4)-c5ncccn5 -MOL_01_020229,CCn1c(N)c(CN)c(c12)cc(cc2)Cc3ccc(cc3)NC(=O)CN -MOL_01_020230,CC1(C)CC(O)C=C(C1O)c2ccc(cc2)-c(c3)cnc(c34)cccc4 -MOL_01_020231,CCCCCc(c(NC)c1N)cc(c12)cc(c(n2)N)C(N)NCCc3ccc(F)cc3 -MOL_01_020232,Cc1ccc(cc1)-c2nn(c(=N)c(c23)cccc3)CC(=N)NC(C)c4ccccc4 -MOL_01_020233,C1CCN1C(O)c2ccc(cc2)-c3cnc(N)c(n3)C(O)Nc4ccccc4 -MOL_01_020234,Clc1ccccc1C(CC(C)=N)NC(=N)c2cnc(CN)c(c2)-c3ccc(Cl)cc3 -MOL_01_020235,NOc1ccc(cc1)NC(C)(C)C(=O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_020236,CC(C)NC1CCN(CC1)c2ncnc(C)c2/C=C/c3ccc(N)nc3 -MOL_01_020237,N=C(N)c(c1)ccc(c12)C=C(CN2)c3ccc(N)c(c3)C45CC6CC(C4)CC(C6)C5 -MOL_01_020238,CCc(c1)c(C(=N)NC)cc(c1C23C)CCC2C(C)(C)C(=N)C(=C3)CN -MOL_01_020239,COc1ccc(cc1OC)CCNC(=O)c(c2=O)cnc(n23)CCC3 -MOL_01_020240,Cc(n1)ccc(c12)cc(cc2N)-n3cc(nc3N)C(=N)c4ccccc4 -MOL_01_020241,c1ccoc1C2CCC(=O)N2CCCCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_020242,CC(C)CCc1ccc(cc1)-c2c(CN)c(N)nc(c2CN)CCC(=O)N -MOL_01_020243,c1ccccc1C2(CC(C)(C)N)CCN(C(C2)=N)C(C)c3ccc(cc3)-c4ccc(=N)n(C)c4 -MOL_01_020244,NC(N)c1ccc(cc1)Cc(n2C)nc(c23)cc(cc3)NC(C)(C)c4cccnc4 -MOL_01_020245,COc1cccc(c1OC)/C=C/C(O)N2CCC=CC2O -MOL_01_020246,c1cnccc1-c2n(nnc2C(=C)C)-c3ccccc3C -MOL_01_020247,c1ccccc1C(C)Nc2nccc(n2)N3C(=N)CCC3c4ccccc4 -MOL_01_020248,CCCC1=C(CN)C(N)N(C1=C)c2c(C)cccc2C(C)C -MOL_01_020249,Clc1cnn(c12)ccc(n2)NC(=NC3)CC34C5CCN(C4)CC5 -MOL_01_020250,CNc(c1)c(NC)cc(c12)c(C)nc(N)c2Cc3cncc(c3)-c4ccccc4 -MOL_01_020251,C1CCc(c12)ccc(c2)N3C(N)=C(CN)C(C(=C3)C(N)CN)c4ccccc4 -MOL_01_020252,c1ccccc1CC(C(=O)CN)NC(=O)NCCc2ccc(F)cc2 -MOL_01_020253,Fc1cc(ccc1)CNC(=N)c(c2=N)cnc(n23)ccc(c3)-c4ccc(CN)cc4 -MOL_01_020254,COc1ccccc1NC(O)Cn2c(nc(c23)cccc3)CCC(O)NCc4ccccc4 -MOL_01_020255,Cn1c(=O)c(C)nc(c12)cnc(n2)Cc3ccc(CN)cc3 -MOL_01_020256,n1ccn(c12)ccc(c2)N3C(CCC3N)c4ccc(cc4)C5CCCCC5 -MOL_01_020257,CCCCCCCc(c1)cc(N)c(c12)c3c(C(N2)(C)C)ccnc3 -MOL_01_020258,O=C(O1)N=c(c12)cc3c(c2)=NC(=N3)C(=O)N4CCC(CC4)Cc5ccccc5 -MOL_01_020259,FC(F)(F)c1cc(ccc1)C(C)NC(N)CCc(n2)nc(N)c(c23)cccc3 -MOL_01_020260,NCc1cccc(CN)c1C2CCCC(=O)N2Cc3cccc(c3)-c4ncccn4 -MOL_01_020261,CCc1cccc(c1)NC(N)c(n2C)cc(c23)c(N)nc4c3cccc4 -MOL_01_020262,Cc(n1)cnc(c12)c(NC(C)CO)nc(n2)CCc3cccc(F)c3F -MOL_01_020263,c1ccccc1CC(C(=O)N(C)C)NC(=O)C(N=2)=CC(C23)=CC(Cl)=C3Cl -MOL_01_020264,CCc1ccc(c(c1)NC)C(N)NCc(n2)cc(N)n(c23)nc(c3)CC -MOL_01_020265,CC(C)NC(=N)N(C12)C(CC1)CC(=C2C(=N)CC)c3ccc(C(C)=N)cc3 -MOL_01_020266,c1ccccc1-n2nc(N)c(c2N)-c3ccnc(n3)N4CCCOCC4 -MOL_01_020267,C=c1nnc(n12)c3c(nc2C)cc(C)c3C -MOL_01_020268,C1CCCCC1NC(=N)c(c2=N)cn(c(c23)cccc3)CCN4CCCCC4 -MOL_01_020269,Cc1cc(C)c(C)c(c1C)Cn2ccc(n2)NC(O)c3c(NN)c(C)nn3C -MOL_01_020270,Cc(c1)ccc(c12)nc(nc2N)C(N)CCc3cccc(c3)CN -MOL_01_020271,CNc1cccc(c1)N2CC(CC2=N)C(=N)N(CC3)CCC34CC(=N)c5c(N4)cccc5 -MOL_01_020272,Cc(c1)ccc(c12)N(CCC2)C(N)CCc(n3)nc(C)c(c34)cccc4 -MOL_01_020273,N=C(C=1)C=Cc(c12)cc=3c(C=CC3)c2CCc4nncn4-c5ccc(Cl)cc5 -MOL_01_020274,CN(C)CCCNc1nccc(n1)/C(CN)=C(N2)/Cc(c23)cccc3 -MOL_01_020275,O=C1N=C(C)N=NC12c3c(cccc3)c4c2cccc4 -MOL_01_020276,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccc(C(C)(C)C)cc3-c4cnc(N)nc4 -MOL_01_020277,CNc1cccc(c1)NC(=N)c2cc(nc(c23)cccc3)-c4ccc(NC)cc4NC -MOL_01_020278,CCc1cccc(c1)C(C)Nc2ccc(c(c2)-c3ccnn3C)CCCN4CCN(C(C)N)CC4 -MOL_01_020279,C1CCCCC12NC(=C)C(CN)=C(C)N2c3cccc(C)c3 -MOL_01_020280,Cc1ccc(CN)c(c1)NC(c2ccccn2)c(c3C)ccc(c34)cccn4 -MOL_01_020281,NCc1cnc(cc1)C(=C)Nc2ccc(Cl)c(c2)C3(C)CCCC(=N3)N -MOL_01_020282,CNC(=C)c1cc(ccn1)CCc2nc(N)c(CN)c(c2CN)-c3ccc(C)cc3 -MOL_01_020283,n1cccc(c12)cccc2C(C)N(C3)CCCc(c34)c(CN)nn4C -MOL_01_020284,Nc(c1)ccc(c12)N(CCCN)C(=C)C2NC(=C)N -MOL_01_020285,Cc1cccnc1NC(O)c(c2C)c(C)nc(c23)cccc3 -MOL_01_020286,CCc1c(C)nc(N)nc1N2N=C2CC(C(C)C)C(C)C -MOL_01_020287,CCCCC(C)(O)c(n1C)cc(c12)cc(CN)c(c2)C(C)(C)C -MOL_01_020288,C1CCCN1C(=C)c2nc(NC)nc(c23)CCN(C3)C(=C)C(CC)CC -MOL_01_020289,Clc1c(Cl)cccc1Cc2n(C)nc(C)c2C(O)N(C(C)C)Cc3cccnc3 -MOL_01_020290,Cc(n1)cc(C)n(c12)nc(n2)C(=O)CCC(=O)c3ccccc3CN -MOL_01_020291,CCCC(N)c1cc(n(n1)C)-c2ccc(cc2)CC(N)NC3CCCCC3 -MOL_01_020292,CNc1ccccc1N2CCN(CC2)CCN(C)C(N)C3CCCc(c34)c(NC)ccc4 -MOL_01_020293,NCc1cc(CN)c(cc1CN)-c2cc(-c3ccncc3)nc(n2)N4CCCCC4 -MOL_01_020294,O=C(C)c1cc(NC)cc(c12)CCCN2 -MOL_01_020295,c1ccc(c12)nc(N)n(c2N)CCCCC(N)NCCc3ccccc3 -MOL_01_020296,c1cccc(c12)cc(o2)-c3nnc(n3C)CCC(O)Nc4cccc(F)c4 -MOL_01_020297,CCc1ccc(cc1)C2NC(C)=NC(=C23)CCCC3O -MOL_01_020298,Clc1ccc(cc1)-c2c(ncnc2N)/C=C/c3ccc(nc3)N4CCCCC4 -MOL_01_020299,CCCNc1cccc(c1)-n2cnc(c23)c(ncn3)CCN -MOL_01_020300,CCc1ccc(cn1)N(C2)CCc(c23)ncnc3CC4CCN(C4)C(C)CC -MOL_01_020301,Cc1nc(N)nc(c1CN)-c2ccc(N(C)C)cc2 -MOL_01_020302,Cc1cnc(c(C)c1CN)CCC(C)(N2)Cc(c23)ccc(Cl)c3 -MOL_01_020303,c1ccccc1C(=N2)N(C(=C)c(c23)cccc3)CCN(C4)CCc(c45)cc(CN)c(c5)CN -MOL_01_020304,CCCCc(c1=C)c(C)c(=C)c(c12)C(C(=C(C2)N)CN)c3ccc(NC)cc3 -MOL_01_020305,CCOC(=N)c(c1=N)cn(c(c12)cc(C(F)(F)F)cc2)Cc3ccc(CN)cc3 -MOL_01_020306,c1cccc(c12)nc(c(c2N)NC(C)CC)-c3cc(NC)c(NC)c(c3)NC -MOL_01_020307,ONc(n1)cn(c12)CC(CC2)CCc3ccc(cn3)-c4ccc(F)cc4 -MOL_01_020308,CN(C)c1cccc(c1)C(=O)CCC(=O)N(C2)CCc(c23)cccc3 -MOL_01_020309,c1cccc(c12)cc3c(n2C)c4c(n3)c(N(O)O)ccc4 -MOL_01_020310,Cc1ccc(cc1)-c2c(CN)c(C)nc(c23)nc(C)nc3C -MOL_01_020311,NCCCCc(c(c1)CN)cc(c12)nccc2Nc3ccc(Cl)cc3F -MOL_01_020312,CNc1ccc(cc1)CCCCNCCNc2cc(C)cc(c23)CCCN3 -MOL_01_020313,c1cccc(c12)nc(N)n2CCCCN(C3N)C(N)c(c34)cccc4 -MOL_01_020314,C1CCCCN1CC(=O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(=O)CN5CCCCC5 -MOL_01_020315,NCc1cccc(CN)c1C2CCCC(N)N2Cc3cnn(c3)-c4ccccc4 -MOL_01_020316,c1cccc(c12)C(C)(C(F)(F)F)c3c2c(C(=N)N)cc(c3)CCCN4CCCC4=N -MOL_01_020317,CC1(O)CCN(C1)C(O)c2ccc(N(C3)CC3(F)F)c(n2)CCC4CC4 -MOL_01_020318,NC1NCc(c12)ccc(c2)CCCCN3CCN(CC3)c4cccc(c45)CCCC5 -MOL_01_020319,CCCc1ccccc1C2NC(=N)NC(C)=C2C(=N)CCc3ccccc3 -MOL_01_020320,Fc1cc(ccc1)C2C(C(N)CN)=CN(C(N)=C2CN)c3ccc(cc3)Cc4ccccc4 -MOL_01_020321,c1ccoc1-c2nnc(n2CCOC)CCC(O)c3ccc(C)cc3C -MOL_01_020322,CCCc1cc(ncn1)NC(=O)C2CC(=O)N(C2)c3cccc(c3)CN -MOL_01_020323,NCc1ccc(cc1CN)C2NC(=N)NC(C)=C2C(=N)Nc3ccccc3 -MOL_01_020324,c1ccoc1-c2nnc(n2CC)CCC(=O)Nc3ccc(cc3)OCc4ccccc4 -MOL_01_020325,c1cccnc1-c2nccnc2CC3CN(C3)c(n4)ccc(c45)cccc5 -MOL_01_020326,Cc1ccc(cc1)CNC(N)CCC(N)N2Cc(cccc3CN)c3Cc(c24)nccc4 -MOL_01_020327,Clc(c1)ccc(c12)c(N)c3c(c2)c(N4CC=NCC4)nc5c3cccc5 -MOL_01_020328,Cc1c(C)c(C)c(Cl)c(c12)c(c(nn2)N)C(=O)CN -MOL_01_020329,NCC(=C)c1c(N)nnc(c12)c(C)c(C)c(c2Cl)C -MOL_01_020330,Fc1cc(ccc1)C2CC(=N)NC2c3cncc(c3)/C=C/C(C4)CC4(CN)CN -MOL_01_020331,Cc1cccc(n1)Nc2ncnc(c23)cc4c(c3)CCCC4 -MOL_01_020332,Cc(c1)ccc(c12)N(C)C(N)c3c(N2)ccc(c3)N -MOL_01_020333,ONc1ccc(cc1)Cc2ccc(cc2NO)-c(n3)cnc(c34)cccc4 -MOL_01_020334,COc1ccc(cc1)C2=NN(C3=NC(=O)CC3)C(C2)c4ccccc4 -MOL_01_020335,O=C(C)C1=C(Cl)CC=C(N12)C(C2=O)NC(=O)CCc3ccc(C)cc3 -MOL_01_020336,CNc1cccc(c1)NCc2cc(N)nc(c23)cc(c(c3)N)-c4ccccc4 -MOL_01_020337,Cn1ccc(c12)c(CC(=O)C)c(C)c(c2CN)CCCC -MOL_01_020338,Cc1cc(C)c(cc1C)C2CC(=O)N(CC2N)CCN3CNONC3 -MOL_01_020339,CC(O)NC(C)c1ccc(cc1)CC2CN(C2)c3cc(ncn3)N(C)CC4CC4 -MOL_01_020340,CCCc1c(N)cc(N)cc1CNCCCNc(n2)cc(C)c(c23)cccc3 -MOL_01_020341,c1ccccc1-c(cc2N)nc(c23)ccc4c3ccn4C(N)c5ccccc5 -MOL_01_020342,Clc1ccc(cc1)NC(=N)CCC(=N)N2Cc(cccc3)c3Cc(c24)nccc4 -MOL_01_020343,NC(N)CCNC(=N)c(c1N)nc(-c2ccccc2)c(c13)cc(cc3)Nc4ccccc4 -MOL_01_020344,Cn1ccc2cc(CN)c(CN)c(c2c13)ncc3 -MOL_01_020345,C1CCC(C12)N(C(=N)N2C)c3ccc(cn3)/C=C/c4cccc(F)c4 -MOL_01_020346,c1cccc(c12)c(cc(=O)n2C)CCC(=O)N3CCN(CC3)C(=O)c4ccco4 -MOL_01_020347,CNc1cc(cc(NC)c1C)C(=N)NCC(=N)c2cc(C)n(c2C)CC3CCCN3 -MOL_01_020348,CCCc1cc(NC)c(cn1)CNc(c2)ccc(c23)C(C)=C(CC3)CN4CC(C4)C(N)N -MOL_01_020349,Cc(n1)cc(C)n(c12)nc(n2)CC(C)c3nnc(o3)CCc4ccccc4C -MOL_01_020350,NCC(=N)CCc1ccc(cc1)NC(=N)Cn(c2=N)nc(c(c23)cccc3)-c4ccccc4 -MOL_01_020351,c1cccc(c12)cc(N)c(c2)C(N)c3cn(-c4ccc(Cl)cc4)nc3C(N)c5ccccc5 -MOL_01_020352,CC(C)CCCCNC1=NC(C(C(=N)CN)=C(C)N1CC)c2ccccc2 -MOL_01_020353,CCc(c1)c(C)ccc1C(C2=C(C)N=NC2=C)C3C(=C)NC(=C)NC3=C -MOL_01_020354,Cc1ccc(CN)c(c1)N(C(=N2)CCC2(C)C)C(N)c3ccc(CN)cc3 -MOL_01_020355,CCCN1CCCC(C12)c3c(NC2)ccc(c3)N -MOL_01_020356,Cc1ncccc1Nc2cc(ncn2)N(C34)C5CC(C3)N(C(C5)C4)C(N)NC6(C)CC6 -MOL_01_020357,CCC(C)NCc1ccc(n12)c(C(=CC3)C=CC3(CN)CN)cc4c2cccc4 -MOL_01_020358,c1ccc(CN)c(c12)c(nn2C)NCC(N)(N)c3ccccc3 -MOL_01_020359,CCc1cccc(c1)C2CCCN2C(N)c(c(n3)N)cc(c34)CCC4 -MOL_01_020360,CC(=N)C(C)(C)NC(=N)CC1CCC(CC1)c2ccc(cc2)-c3nc(C(=N)N)c(C)nc3C -MOL_01_020361,CCOC(O)c1cnc(nc1N)CCC(O)Nc2cc(C(F)(F)F)ccc2N3CCOCC3 -MOL_01_020362,c1cccc(c12)c(cc(=O)n2CC)CCC(=O)NCCCN3CC(C)CC(C)C3 -MOL_01_020363,Nc1ncc(cc1)/C=C/c2c(ncnc2C)N3CCC(CC3)CNC(O)CC(C)C -MOL_01_020364,C=C(C)Cc1ccc(CN)c(c1)-c2ccc(F)c(c23)CCN(C3)C(=C)CC(N)c4ccncc4 -MOL_01_020365,Cc1ccc(cc1)-c2cc(nc(n2)N)-c3cc(CN)ccc3CN -MOL_01_020366,c1ccccc1C(C)CNC(=O)Cn2cnc(c23)c(ncn3)CCc4ccccc4 -MOL_01_020367,CNc1ccc(CC(=N)N)cc1C2=NCC(=N)N(c(c23)cccc3)Cc4ccccc4 -MOL_01_020368,CCCC(O)Nc1ccc(C)c(c1)-c2cc(C(C)O)ccn2 -MOL_01_020369,OC1N(C)C(O)c(c12)c3c(nc2C)cccc3 -MOL_01_020370,CCCC(N)c(n1)cn(c12)c3c(c(c2)NC)cc(cc3)CC -MOL_01_020371,NCc1ccc(cc1)C(N)/C=C/c(c2N)cnc(c23)cccc3NCC4CCCCC4 -MOL_01_020372,NCc(c1)c(CN)cc(c12)c(cn(c2=N)CC)C(=N)Nc3ccc(C(C)C)cc3 -MOL_01_020373,CCCC(=O)c1c(C)nc(nc1C)CCc2cn(nn2)-c3ccnc(c34)cc(Cl)cc4 -MOL_01_020374,Cc1cc(N)ccc1C(C2)CNC(N23)c4c(NC3=O)cccc4 -MOL_01_020375,c1cccc(c12)N(CC(=O)N2)C(=O)CCc3ncnc(c34)cccc4 -MOL_01_020376,Cc1ccc(cn1)-n(c2O)nc(c23)c4c(nc3)cc(cc4)CN -MOL_01_020377,CCCc(c1)cc(NC)c(c12)NC(C2C)c(c3)ccc(c34)NCN4 -MOL_01_020378,NCc1ccc(cc1CN)-c2nc(C)n(c2)-c3ccc(CN)cc3 -MOL_01_020379,NCc(n1)cc(n12)nc(cc2O)Cn3cnc(c34)cccc4 -MOL_01_020380,CNC(=O)C(=O)Nc(c1C)c(C)nc(c12)cccc2 -MOL_01_020381,C1CCc(c12)cc(cc2CC)C3C(CN)=C(N)CC(=C34)CC(C)(C)CC4=O -MOL_01_020382,Cc(c1)ccc(c12)oc(O)c3c2cc(c3)C(O)NCCCN(C4)CCc(c45)cccc5 -MOL_01_020383,C1CCCC1NC(=O)C(N2CCCC2)c(c(NF)c3)cc(c34)CCC4 -MOL_01_020384,CCCC(=O)c1cnn(c1N)-c2cc(ncn2)Cc3ccccc3C -MOL_01_020385,Fc1ccc(cc1)C(=C)Cc2c(CN)c(CN)cc(c23)C(C=CC(C)(C3=C)CN)Nc4ccccc4 -MOL_01_020386,c1ccccc1CCCCc2c(ncnc2N)/C=C/c3ccc(nc3)N4CCOCC4 -MOL_01_020387,C=C1CCN(CC1)c2ncnc(C)c2/C=C/c3ccc(N)nc3 -MOL_01_020388,CCNc1cccc(c1N)C2C=C(c(c3)ccc(c34)NCN4)NC(N2)c5ccccc5F -MOL_01_020389,NC(N)c1cnc(cc1)N(CC)c2ccc(C(C)C)c(c2)NCC(C)C -MOL_01_020390,CCC(CN)n(c1C)cnc(c12)cnc2N -MOL_01_020391,Cc1ccc(cc1)CCC(O)Nc(c2)ccc(c23)nc(N)cc3N -MOL_01_020392,c1cccnc1-c2nncc(n23)nc4c3cccc4 -MOL_01_020393,Cc1ccc(cc1C)NC(=O)NC(C(=O)N2C)NC(c(c23)cccc3)c4ccccc4 -MOL_01_020394,Cc1ccc(cc1)C2CC(c3ccc(F)cc3)=NN2C4=NC(N)C=C4 -MOL_01_020395,c1coc(c12)c(OC)cc(c2OC)C3CC(ON3)c4ccccc4 -MOL_01_020396,CCCCc(c1N)c(N)nc(c12)c(NC)cc(c2)NC -MOL_01_020397,N1=NC=c(c12)cc(NC)c=3c2c4c(N3)cccc4 -MOL_01_020398,Clc1ccc(cc1)C(CC2=O)C(CN)=C(N23)CCN(C3)C4CCCCC4 -MOL_01_020399,c1ccc(C(N)N)c(c12)nc(cc2N)-c3ccncc3 -MOL_01_020400,CCN1CCN(CC1)C(=N)c2nn(c(=N)c(c23)cccc3)-c4ccccc4 -MOL_01_020401,C=C(C)CCC(=C)N1N=C(c2ccc(cc2)N(CC)CC)CC1c3cc(CN)c(CN)c(c3)CN -MOL_01_020402,c1ccccc1C(=C)NC(C(=C)NCCN)Cc2cccc(c2)-c3cnn(C)c3 -MOL_01_020403,Cc(c1)ccc(c12)cc(CC)c(n2)CCC(=O)Nc3cnc(C)nc3C -MOL_01_020404,C=C(N)Nc1cn(nc1C(=C)N)-c2ccc(c(c2)C(C)(C)C)-c3ccc(C)cc3C -MOL_01_020405,NCc1ccccc1-c(c2N)nnc(c23)cc(cc3)CC(N)N4CCCCC4 -MOL_01_020406,Cc1cnc(CN)nc1N(CC2CC2)Cc(c3)ccc(c34)CNC4 -MOL_01_020407,NCc(c1)ccc(c12)c3c(CC2)ncc(n3)-c4ccccc4 -MOL_01_020408,NCc1ncc(cc1)-n(n2)c(C)c(c23)cnc4c3ccc(c4)CN -MOL_01_020409,Cc1ccc(cc1CN)C2C=C(Nc3ccccc3)C(=N)N2c4ccccc4 -MOL_01_020410,NCc1cccc(CN)c1C2CCCCC(=N)N2Cc3cccc(c3)-n4nccn4 -MOL_01_020411,c1cccnc1-n2nc(C)c(c2O)C(O)Nc3ccccc3 -MOL_01_020412,CNc1c(CN)ccc(c12)nccc2NCCCN(C)C -MOL_01_020413,Cc1cccc(c12)NC(O)C2(C)CCN -MOL_01_020414,c1ccccc1CNC(C)c(n2C)nc(c23)cccc3CC4CCNCC4 -MOL_01_020415,Cc1cc(C)c(c(n1)N)CN(C2N)CCc(c23)ccc(c3Cl)CC(C)C -MOL_01_020416,CCCC(CC1)CCC1(C)N2CCC(CC2)n3c(N)cc(c34)ccc(c4)CN -MOL_01_020417,Cn1cc(cn1)CCN(C)C(=O)CN2C(=O)CCC2c3ccccc3 -MOL_01_020418,Cc1cc(Cl)cc(Cl)c1CC(O)NC2CCc(c23)nc(Cl)cc3 -MOL_01_020419,NCc1cc(ncn1)N(C2)CC(CCC3)C23CCCc4ccncc4 -MOL_01_020420,CC(C)C(N)(N1)CC(N)c(c12)c3c(cc2)cccc3 -MOL_01_020421,NC(N)CCc(c1C)c(N)nc(c12)c(C)c(cc2)NCc(c3)ccc(c34)cccc4 -MOL_01_020422,NCc1cc(ccc1)-c2cc(C(=C)CN)ccc2CCC(c3ccc(CN)cc3)c4cncn4C -MOL_01_020423,NCc1cc(C(C)(C)C)ccc1-c2cc(C)c(cc2)-c3cnc(N)cn3 -MOL_01_020424,Cc1cc(C)n(n1)-c2ccc(cc2)C(N)CCC(N)c3cc(C)n(c3C)CCCN -MOL_01_020425,CCCCC(N)NC(c1ccc(C(C)C)cc1)c(c2C)cc(NN)c(c23)cccn3 -MOL_01_020426,c1ccccc1C(C2N)=C(C(N)c(c23)cccc3)N4CCCCC4 -MOL_01_020427,CNc1ccc(cc1)Cc2ncnc(c23)n(cc3)CC(C)(C)C -MOL_01_020428,Cc1ccccc1C(=N)N2CCC(CC2)C(=N)N3CCCc(c34)cccc4 -MOL_01_020429,CCCN(CCC)C(=O)C(CC(N)N1)=Cc(c12)ccc(c2)-c3ccc(cc3)C(=O)N4CCCC4 -MOL_01_020430,CNc1ccc(cc1)C2=NN(C(=N)c3cc(N)ccc3N)C(C2)c4ccc(cc4)NCc5ccccc5 -MOL_01_020431,Cc1cccc(c1)Nc2ccc(c(c23)ncnc3C)Nc4c(C)c(C)c(CN)c(C)c4CN -MOL_01_020432,Cc1nc(N)nc(c12)ncc3c2c(N)n(C)c3N -MOL_01_020433,Cc1ccc(CN)c(c1)NC(C2=N)(C(=N)c(c23)cccc3)c4ccccc4 -MOL_01_020434,Cc1ccccc1N2CCN(CC2)C(N)c(n3)cc(N)c(c34)cccc4 -MOL_01_020435,c1ccc(c12)nc(n(c2O)CC)Nc3ccccc3C -MOL_01_020436,CCc1cc(C(=O)C)c(O)cc1CCCCC(C)(C)C(=O)N -MOL_01_020437,Clc1ccc(cc1)C2CN(C(C)C)CC2C(=N)N3CCN(CC3)c4ccccc4C=N -MOL_01_020438,c1cccc(c12)C(N)C([SeH]3CCCC3)=C(C2N)c4ccccc4 -MOL_01_020439,CC(O)Nc1ccc(cc1)C2=NN(C(O)CC2)Cc3nnc(o3)-c4ccccc4 -MOL_01_020440,NCc1ccc(cc1)CN(C(=N)N(CC)C2=N)C23CCN(CC3)Cc4cc(Cl)ccc4C -MOL_01_020441,CC(=O)C(C(C)(C)C=1)N(C12)C(=O)C2NC(=O)Nc3ccc(Cl)cc3 -MOL_01_020442,CC(=N)C(C(C)C)NC(=N)CCC(C(=N)C=1)=C(C)c(c12)cc=3c(c2)C=C(C)C3C -MOL_01_020443,Cc1cccc(c1)-c2nnc(n2Cc3ccccc3)CCC(=O)NC4CCCCC4 -MOL_01_020444,c1cccc(c12)N(C)CC(CC)N(C2)C(N)c3cnc(N)cc3C -MOL_01_020445,Cc1cc(C)nc(n1)NC(C(=N)N)C(c2ccccc2)(c3ccccc3)CNC(=N)Cc4ccccc4 -MOL_01_020446,CC1(C)NCC(N1)CNc2cccc(c23)C(N)c4c(NC3)cc(cc4)Nc5ccc(F)cc5F -MOL_01_020447,NCCC(C)NC(=C)c1cc(-c2ccc(C)cc2)cc(c1)N3C(=C)CCC3C(=C)CN -MOL_01_020448,NCc1cccc(CN)c1C(=N)Nc(c2)ccc(c23)N(C(=N)CC3)Cc4ccccc4Cl -MOL_01_020449,CCN(CC)CCCc1nnc(c(c12)cccc2)-c3ccc(CN)cc3 -MOL_01_020450,C1CCCCC1NC(O)CCc2n(C)c(nn2)-c3ccccc3CN -MOL_01_020451,OCc1c(C)nn(c12)c3c(c(n2)C)cccc3 -MOL_01_020452,Cn1ccc(n1)Nc2ncnc(c23)ccc(c3)Cc4cnccn4 -MOL_01_020453,C1CCC1(N(C)C)C(O)N2CCN(CC2)C(O)c3cc(ccc3F)Oc4nnc(O)c(c45)cccc5 -MOL_01_020454,NCc1cc(ccc1)NC(=C)c2ccc(C)c(c2)NC(=C)C3(CC3)c4cc(NC)ncn4 -MOL_01_020455,CCOc1ccc(cc1)NC(C2O)=C(C(O)c(c23)cccc3)N4CCOCC4 -MOL_01_020456,CCc1ccc(c(c1)CC)CN(C2=O)C(=O)c(c23)c(C)c4c(c3C)nccn4 -MOL_01_020457,c1cccc(c12)CCC(NC(=N)C(C)NC)C(=N)N2Cc3ccccc3 -MOL_01_020458,c1cccnc1NC(=C)Nc2ccc(cc2Cl)Cc3ncnc(c34)ccn4C -MOL_01_020459,c1ccccc1C2C(c3cc(N)cc(c3)N)=C(c(c24)cc(N)cc4N)Cc5ccccc5 -MOL_01_020460,CCc1ccc(cc1)-c2ncc(C)c(n2)N(C)CCCNc(c3)ccc(c34)C(CC4)CC(N)N -MOL_01_020461,Cn1cncc1C(c2ccc(CN)cc2)NCc3ccc(CN)nc3-c4ccccc4 -MOL_01_020462,O=C(C=1)C=Cc(c12)cc=3c(C=CC3)c2CCc4cn(nn4)Cc5ccc(F)cc5 -MOL_01_020463,C1CCCCC1Cc2ccc(cc2CN)-c3ccnc(n3)Nc4cnn(c4)CCC5CCNCC5 -MOL_01_020464,NCc1ncnc(N2CCC(=O)CC2)c1/C=C/c3ccc(N)nc3 -MOL_01_020465,CC(C)(C)CC(N)N1CCC(CC1)C2CCN(CC2)c3ccncn3 -MOL_01_020466,CN(C)c1ccc(cc1)-c2ccnc(c23)CC(C3)(C)C(N)NCc4ccccc4 -MOL_01_020467,CCn1c(C)nnc1CC(N=2)=NC(=O)C(C23)=C4C(=C3)CCCC4 -MOL_01_020468,C=C1CCC(C(C)C)N1c2ccnc(n2)NC(C)c3cccc(c3)NC -MOL_01_020469,CCC(C(=N1)C)Cc(c12)cc3c(c2)nc(N)cc3C(C)(C)C -MOL_01_020470,Clc1ccc(cc1Cl)N2CCC(C2=N)c3ccc(NN)c(c3)NCCN4CCCCC4 -MOL_01_020471,Fc1ccc(cc1)C2(CC)NC(=N)N(C2=N)CC(=N)NCc3ccc(F)cc3 -MOL_01_020472,C=C1CCCN1C(C(C)C(N)(N)C2)c(c23)cc(cc3)CN -MOL_01_020473,c1ccccc1CCC(=O)NC(C(=O)CC)c2cccc(c2)NC(=O)Cn3nnnc3C -MOL_01_020474,CC(=O)c1ccc(cc1)CC2CCN(CC2)Cc(c3)ccc(c34)Cc5c(N4)nccn5 -MOL_01_020475,C1NCc(c2)c1cc(c2C34CC3)C(=N)N4CCC5CCN(CC5)Cc6ccncc6 -MOL_01_020476,Cc1nn(CC(C)C)c(Cl)c1C(O)N(C)CC(O)Nc2cccc(c2)ON -MOL_01_020477,Cn1c(=O)c(N)nc(c12)cnc(n2)CCc3ccccc3 -MOL_01_020478,CCC(=O)C1(C)CC(CC(C)C)=NN1C(=O)c2ccccc2 -MOL_01_020479,Cc1ccc(C)c(c1)N2CCN(CC2)C(N)Cc3c(C(C)N)c(C)cn3C -MOL_01_020480,CCc1ccc(cc1)C(O)c(c(c23)ccc(c3)NCl)n(n2)CCCC(N)O -MOL_01_020481,c1cccc(c12)nc(cc2N)C(N)N3CCN(CC3)c4ccccc4F -MOL_01_020482,Nc1ccc(cc1)-c2cc(CN)c(=N)n(c2)Cc3c(Cl)cccc3Cl -MOL_01_020483,CNc1ccc(C)c(c12)nc(cc2)C(=O)NC3(CN)CC3 -MOL_01_020484,NCC1=C(C)NC(=O)C1(C(C)(C)C)NC(=O)c2ccccc2 -MOL_01_020485,c1ccc(c12)nc(n(c2O)CC)NC3CCOCC3 -MOL_01_020486,c1cccc(c12)c(cc(=O)n2CC)CCC(=O)Nc3ccc(OC)c(c3)OC -MOL_01_020487,CCc1coc(c12)c3c(C(O)C2O)ccc(c3)C -MOL_01_020488,Cc1ccc(cc1)CCC2=CC(=C)N(C=C2)c(c3)ccc(n34)nc(c4C)CN -MOL_01_020489,NCc1ccc(cc1)-c(c(CN)c(N)c2CN)c(c23)C=C(C3)c4ccccc4 -MOL_01_020490,CNc1ccccc1C(=O)CCC(=O)N(C2)CCc(c23)cccc3 -MOL_01_020491,CCOC(=O)C1CCN(CC1)C(=O)c(c2)ccc(c23)Cc4c(C(=N3)CC)cc(C)cc4 -MOL_01_020492,Fc1ccc(cc1)C(C(=N)CC2(C)C)=C2c(c3)ccc(c34)CCC(N4)=N -MOL_01_020493,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)-c3ccc(nc3)N4CCC=NCC4 -MOL_01_020494,C1CC(=N)c(c12)cc(C)c(n2)N3CCC(CC3)Cc4cccc(c4)CN -MOL_01_020495,CC(=O)CNC(=O)c1ncc(cc1C)-c2ccc(cc2)CC(C)C -MOL_01_020496,Cc1cc(C)cc(c1)NC(=O)c2cccnc2CCc3ccnc(c3)N4CCOCC4 -MOL_01_020497,CCCc1cccc(n1)N2CCC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_020498,c1ccccc1C2(c3ccccc3)C(N)NC(C2)Cn4ccnc4Cc5ccccc5 -MOL_01_020499,Cc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)-c4ccncc4 -MOL_01_020500,Cc1ccc(cc1)C(N)C(C)Nc(c2)ccc(c23)ccc(n3)N -MOL_01_020501,C1CCCC1NC(=O)CCc2n(-c3cc(OC)ccc3)c(nn2)Cc4cc(O)nc(n4)O -MOL_01_020502,c1cccc(c12)C(O)C(O)N2Cc3ccc(Cl)cc3 -MOL_01_020503,c1cccc(c12)cccc2Cn3ncc(C)c(c3=N)C(CN)c4ccccc4 -MOL_01_020504,NCc1cccc(CN)c1C2CCCC(=C)N2Cc(c3)ccc(c34)n(C)c5c4cccc5 -MOL_01_020505,COc1ccc(cc1OC)CCNC(=O)CN2C(=O)CCC2c3ccccc3 -MOL_01_020506,NCc(c1)c(CN)cc(c12)CCN(C(=C)c3ncccc3)C2CCc4ccc(CN)cc4 -MOL_01_020507,NCc1ccc(cc1)-c2ccnc(n2)NCCc3ccc(CN)c(c3)CN -MOL_01_020508,c1cccc(c12)nc(nc2N)CCCC(N)NC3CCc(c34)cccc4 -MOL_01_020509,CCCC(=N)c1cnc(c(c12)cccc2)NCc3ccccc3CN -MOL_01_020510,Fc1ccccc1C(C)Nc2nccc(n2)N3C(=O)CCC3C(C)C -MOL_01_020511,CCCC(O)Cc1nn(C)c(c12)cc(O)cc2C -MOL_01_020512,CN(C)c1ccc(cc1)-c2c(N)ncnc2/C=C/c3ccc(nc3)N4CCOCC4 -MOL_01_020513,Cc(n1)cc(C)c(c12)c(O)n(c2)CCCC(O)NC(C)(C)C -MOL_01_020514,c1ccccc1-c2nnc(n2C)CCc(n3)cc(N)c(c34)cc(Cl)cc4 -MOL_01_020515,CNc1cc(NC)cc(c1)-c2cn(nn2)-c3ccc(N)c(c3)C(N)NCCc4ccc(F)cc4 -MOL_01_020516,CCCCC1CN(C(O)N2CCCC2)Cc(c13)cnn3CC -MOL_01_020517,NCc1ccccc1C(=C)Nc2ccc(cc2)CCC(N=3)=CC(=C)N(C34)C=CC=C4C -MOL_01_020518,CCCC(=O)c1cnn(C)c1NC(=O)NCc2ccccc2 -MOL_01_020519,NCc1ncc(cc1)N(CC)C(O)c2cnc(cn2)-c3ccccc3C -MOL_01_020520,c1ccccc1N(C(=N)C(C23)CCCC3)N=C2c4ccc(CN)c(c4)CN -MOL_01_020521,CC(C)(N1)CC(N)c(c12)c(N)cc(c2)NCc3ccncc3 -MOL_01_020522,c1cccc(c12)n3c(c2)nc(c(C)c3N)C(N)NCc4ccc(F)cc4 -MOL_01_020523,c1cccc(c12)C=C3C2=NC(=NC3=O)c4ccccc4 -MOL_01_020524,Cc1nccc(n1)-c(c(C)c2C)cc(c23)c4c(c(c3)N)CCCC4 -MOL_01_020525,CC1CN(CC1C)c2ccc(C)c(c2)-c3ccnc(n3)N -MOL_01_020526,C1CCCCC1c2ccc(cc2)NC(=N)CN3CCC(CC3)N4C(=N)NCc(c45)cccc5 -MOL_01_020527,CNc1ccc(cc1)-c2cnn(CC)c2-c3ccc(N)cc3N -MOL_01_020528,CCCCCn1nncc1Cn2ncc(c23)c(C)ncn3 -MOL_01_020529,Cc1ccccc1Cc2nn(c(nn3)C(N)O)c3c(c24)cccc4 -MOL_01_020530,Cc1ccc(cc1)C(N)c(nc(c23)cccc3)n2Cc4cccc(c4)NC(C)(C)C(N)N -MOL_01_020531,Cn1cccc1Cc2nnc(n2-c3ccc(C)cc3)CCC(O)NCc4ccco4 -MOL_01_020532,c1ccccc1C2=C(C(=C)C)C(C(=C(C2)N)CN)c3ccccc3C -MOL_01_020533,NCc1c(F)ccc(F)c1C2CC(F)C(=N)N2Cc3ccc(CC(F)(F)F)cc3 -MOL_01_020534,CCc1cccc(c1)NC(=O)C(C=2N)=CC(C23)=NC(=O)C(=C3)C(=O)C -MOL_01_020535,c1cccc(c12)nc(cc2C)CCC(=O)N(C)CC(=O)Nc3ccc(F)cc3 -MOL_01_020536,COc1ccccc1/C=C/c(c2)ccc(c23)N=C(CO)C4C3=NCC4 -MOL_01_020537,c1cccc(c12)nc(NCCCC)c(n2)C(CN)C(N)(N)c3ccccc3 -MOL_01_020538,NCc1ccc(cc1CN)NC(=C)c(c2)ccc(c23)c(=C)n(c3=C)C4CCN(CC4)C(=C)CCC -MOL_01_020539,NCc(c1)c(CN)cc(c12)ncc(CN)c2Nc3cccc(c3)NO -MOL_01_020540,CC(N)Nc(c1)ccc(c12)cc(c(c2N)CC)-c3ccccc3F -MOL_01_020541,Cc1ccccc1NC(C2)=NN=Cc(c23)cc4c(n3)c(C)ccc4 -MOL_01_020542,c1ccccc1C(C)NC2=C(O)C(O)=C2Nc3ccnc(c3)Nc4ccncn4 -MOL_01_020543,Cn1cccc1Cc2nnc(n2CCOC)CCC(=O)NCc(c3)ccc(c34)OCO4 -MOL_01_020544,CCn1nccc1Cc2cc(CC(CC3)CCC3(C)O)cnc2NC(=O)NC -MOL_01_020545,c1cccc(c12)ccc(OC)c2CC3=NC(=O)C(=NC3=O)Cc4ncoc4C(C)(C)C -MOL_01_020546,Cn1nnnc1-c(c2)cc(-c3ccccc3)c(c24)ccc(c4)NCc5cccc(c5)C6(N)CCNCC6 -MOL_01_020547,c1ccccc1CC(=O)n2nc(-c3ccco3)nc2CCc4ccccc4 -MOL_01_020548,NCC(=C)Cc1ccc(cc1)/C=C/C2(NC(=C)NC2=C)CN(C3=C)Cc(c34)ccc(c4)CN -MOL_01_020549,NC(N1)CCc(c12)cccc2CCC(=N)Nc3ccc(cc3)-c4ccccc4 -MOL_01_020550,CCCC(=O)c(n1)cc(n12)NC(C)CC2C(C)(C)C(C)(C)C -MOL_01_020551,C1CC=CC(N)=NC1(C)c2cc(ccc2F)NC(N)c3ccc(F)cn3 -MOL_01_020552,CCn1nccc1Cc2cc(CC(C3)CC3(C)O)cnc2NC(=O)NC -MOL_01_020553,COc(c1)c(OC)cc(c12)cc(C)c(n2)CCC(=O)N3CCN(CC3)C(=O)c4ccco4 -MOL_01_020554,c1ccccc1-n2nc(C)c(c2Cl)C(=O)CCC(=O)NCc3ccccc3CN -MOL_01_020555,Clc1cc(CN)c(cc1C)NC(=O)c2cc(N)cc(N)c2C -MOL_01_020556,NC(N)Cc(c1)ccc(c12)CNc3c(N2)cccc3 -MOL_01_020557,n1cncc(c12)N=C(C)C(=C)N2CCc3ccccc3CC -MOL_01_020558,c1cncnc1-c2cc(=O)n(C)c(n2)CC3CCCN(C3)C(=O)CN -MOL_01_020559,CC(C)NC(=N)C(C1)Cc(c12)nccc2-c3ccccc3Cc4ccccc4 -MOL_01_020560,Cc(c1)ccc2=CC(=N)C(C3=c12)=CC(=C3)C(=N)NCCCN4CC(C)CC(C)C4 -MOL_01_020561,C1CCC1n2nc(cn2)C(=C)NC(C(=C)NC3(CN)CC3)Cc4ccc(CC(F)(F)F)c(Cl)c4 -MOL_01_020562,COc1cccc(c1)-n2c(CCc3cccnc3)nnc2Cc4cc(O)nc(n4)O -MOL_01_020563,NCc1cccc(CN)c1C2CCC(N)N2Cc3cnc(CC(F)F)c(Cl)c3 -MOL_01_020564,NCc(cc1)cc(c12)C(C(C)C(C2)(C)C)n3ncccc3=O -MOL_01_020565,CC(C)(C)c1ccc(cc1)N2C=C(C(N)NC)C(C(=C2N)CN)c3ccccc3F -MOL_01_020566,CCCNC(N)C(=N)c1c(cc(n12)cccc2)-c3ccc(Cl)cc3 -MOL_01_020567,NCc1ccccc1Cc2nc(C)nc(c2)N3CCC(CC3)Cc4ncc(C)c(n4)N -MOL_01_020568,CCCc1cccc(c1)C2NC(C)=NC(C)=C2C(=N)Nc3ccccc3 -MOL_01_020569,NCc1cc(ccc1)C(=N)N2CCN(C(=N)c3c4cccc3)C24c5ccc(Cl)cc5 -MOL_01_020570,CC(=N)C1CC1C(=N)c2ncc(c(n2)CN)N(CC3CC3)c4cccc(c45)cccc5 -MOL_01_020571,CNc(c1N)c(N)cc(c12)C(N)C3=C(C2N)CCCC3 -MOL_01_020572,c1cccc(c12)cccc2N(CCC)c3nccc(n3)-c4c(CN)cc(CN)cc4CN -MOL_01_020573,Nc1ncc(cc1)/C=C/c2c(ccnc2CC)-c3ccc(c(Cl)c3)C(N)N4CCN(CC)CC4 -MOL_01_020574,Cc1ccc(n12)ncc(c2O)C(O)N3CCN(CC3)Cc(c4)ccc(c45)OCO5 -MOL_01_020575,NOc1cccc(c12)N(C(N)CC2)CCCN3CCN(CC3)c4cccc(N)c4 -MOL_01_020576,CCCN1CCN(CC1)C(N)c2ccc(cc2F)-c3ccnc(CC)c3/C=C/c4ccc(N)nc4 -MOL_01_020577,CNc1ccc(cc1)C2C=C(C(N)N)NC(=C23)CC(C)(C)CC3N -MOL_01_020578,c1ccccc1CN(C)Cc(n2)nc(c23)c(O)nc(O)n3C -MOL_01_020579,Fc1ccc(cc1)N2C=C(C(=O)CN)C(C(=C2N)CN)c3ccccc3 -MOL_01_020580,CNc(c1)ccc(c12)nccc2C3CN(C(=N)N3)C4CCN(C)CC4 -MOL_01_020581,Cc1ccc(cc1)Cc(n2)cc(c(c23)cc(Cl)cc3)C(N)CC4CCCCN4 -MOL_01_020582,CCN1CCN(CC1)CCNC(O)c2cc(Cl)c(cc2OC)NC(O)C3=C(C)OCCC3 -MOL_01_020583,NNc1cccc(c1)C2C=C(Nc3ccccc3)C(N)N2c4ccccc4 -MOL_01_020584,c1ccccc1-c(cc(n23)cccc3)c2C(N)C(N)NCCc4ccccc4 -MOL_01_020585,Cc1ccc(c(n1)C)Cc2ccc(cc2Cl)-c3ccn(CC4CC4)c(=N)c3CN -MOL_01_020586,c1ccccc1CN(C2=C)C(=C)N(C)C2(Cc3ccccc3)C(=C)NCc4cc(CN)cc(c4)CN -MOL_01_020587,c1ccccc1CN(C(C)C)CCCNC(=N)Cn2c(=N)c(ccc3)n3c(c24)cccc4 -MOL_01_020588,CC(=N)c1ccc(cc1)N(C2=N)C(=N)C3C(c(c4C5C23)cccc4)c6c5cccc6 -MOL_01_020589,C=C(C)NCC1CC(=C)N(C1)c2ccc(c(C)c2)-c3ccc(nc3)N4CCC=NCC4 -MOL_01_020590,Cc1cccc(c1)-c2nc(c(o2)C)CC(O)CC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_020591,C1NCc(cc2)c1c(C(N)C3)c2C34CCC(CC4)N5CCC(CC5)Cc6cc(F)ccc6F -MOL_01_020592,c1cccc(c12)C(=N)C(CCCN(C)C)C(=N)N2CCCN(C)C -MOL_01_020593,Nc1cccc(c1)-c2nnc(n23)CNC(=N3)c4ccccc4 -MOL_01_020594,COc1cccc(c1)-c2nnc(CCC(=O)OC(C)C)n2Cc3ccco3 -MOL_01_020595,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccc(cn3)CC4CC4 -MOL_01_020596,Cc1ccc(C)c(c1)CCCNC(=O)C2CCCCN2 -MOL_01_020597,COC1=C(C(O)=C1O)NCCNc2ccnc(c23)cc(Cl)cc3 -MOL_01_020598,C1CCCCN1c(cc2N)cc(c23)c(cc(c3)C(N)N(C)C)C4CCCN4c5cccc(F)c5 -MOL_01_020599,c1cccc(c12)n3c(cc2C)nnc3CC(C)CN -MOL_01_020600,CC(=N)NC(C)c1ccc(cc1)NC2CCN(C2)c3ncc(cc3C)NCC4CC4 -MOL_01_020601,CNc(c1)c(NC)cc(c12)nccc2Nc(c3)ccc(c34)N(CCN4)C(N)NC(C)c5ccccc5 -MOL_01_020602,CCc1ccc(cn1)-n2c(C)nnc2N3CCC(C3)Cc4ccccc4 -MOL_01_020603,CCC(=O)C(CC(C)C)NC(=O)NC(C(=O)C)Cc1cccc(C)c1 -MOL_01_020604,c1cnccc1-c2nnc(n2CC)CCC(=O)NCC(=O)Nc3ccc(C)cc3 -MOL_01_020605,C1CCC(=C)C(=C12)C(CC(N2)=C)C(=C)Nc3cc(CN)c(Cl)cc3CN -MOL_01_020606,n1cccc(c12)cc(cc2C)-c3cccc(c3)C(C)NCCCN4CCNCC4 -MOL_01_020607,NC(N)CC1CNc(c12)cc(cc2)NCc3cccc(c3)-n4cccc4 -MOL_01_020608,Cc1ccc(cc1)C(C2)Cc(c23)c(CN)c(N)c(CN)c3-c4ccc(F)cc4 -MOL_01_020609,C=CCNc1ccccc1C(N)/C=C(/C(N)N2)c(c23)cccc3 -MOL_01_020610,NCc1ccc(cc1)-c2c(CN)c(N)c(CN)c(c23)CC(C3)c4ccc(Cl)cc4 -MOL_01_020611,Fc1ccc(cc1)N2C(=N)C(CC2=N)N(CC3)CCC3(CN)c4ccccc4 -MOL_01_020612,CCc1ncnc(c12)n(cn2)CCCNCCCN3CCCC3C -MOL_01_020613,CCOc1ccc(c(c1)OCC)C(N2O)=CN(O)C(=C23)CCCC3 -MOL_01_020614,Cc1cc(C)n(n1)-c2ccc(cc2)C(=N)CCC(=N)c3cc(C)n(c3C)CCCN -MOL_01_020615,CNC(C)C1=C(O)C(C)(C)Oc(c12)ccc(c2)CN -MOL_01_020616,Oc1cc(ccc1)NC(N)C(O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_020617,CCc1nc(N)nc(N)c1/C=C/C(C)c2cc(ccc2ON)-c3ccncc3 -MOL_01_020618,c1ccc(CN)c(c12)ncc(C(=N)NCCC)c2Nc3ccccc3C -MOL_01_020619,N=c1ncc(N)c(n1C)-c2ccc(cc2N)Oc3ncccc3Cl -MOL_01_020620,NCC1=CN=c(c12)c=3c(cc2)c4c(N3)cccc4 -MOL_01_020621,CCc1ccc(cc1)C2C(CN)=C(N)CC(=C23)CC(CC3=N)c4ccccc4Cl -MOL_01_020622,CCCCn1ccc(c12)cc(cc2C(=N)N)CC(C)NCCCc3ccccc3CN -MOL_01_020623,Cc1ccc(C)c(c1)NC(N)CNc2cnc(cc2N)CN3CCc(c34)cccc4 -MOL_01_020624,Clc(c1)c(C)cc(c12)CC(N)=C(CN)C2c3cccnc3 -MOL_01_020625,CC(C)(C)CC(=N)NC(C)C(=N)NC(C(=N)N1C)N=C(c(c12)cccc2)c3ccccc3 -MOL_01_020626,Cc1ccccc1C2C(CN)=C(N)CC(=C23)CCCC3O -MOL_01_020627,CCn1c(C)nnc1-c2nn(C)c(C)c2C -MOL_01_020628,COc1ccc(cc1)-n(c2O)cc(c23)ncc(c3)-c4ccccc4 -MOL_01_020629,c1ccccc1-c2c(CN)c(nc(N)c2CN)CCc3cccc(c3)C(=O)N -MOL_01_020630,NCC(=C)C1=C(C)NC(C)=C(C(=C)CCC)C1c2ccc(c(c2)CN)CCC(=C)N3CCCCC3 -MOL_01_020631,NCc(c1)c(CN)cc(c12)c(=O)n(CCN(CC)C(C)C)c3c2cnc4c3cc5c(c4)CNC5 -MOL_01_020632,CC(C)C(=NN=1)c(c12)nc(nc2=C)CC3CCCCC3Nc4ncccn4 -MOL_01_020633,Cc1ccc(cc1)-c2nnc(n23)ccc(n3)CCC(N)c4ccccc4 -MOL_01_020634,c1cccc(c12)Nc3c(C2)nc(nc3CCN)N4CCCCC4 -MOL_01_020635,C1CC1C(C(=O)N)NC(=O)c2ccc(C3CC3)c(n2)CCC4CC4 -MOL_01_020636,NCc(c1)c(CN)cc(c12)CCN(C(=C)c(cc3N)ccc3)C2CCc4ccc(CN)cc4 -MOL_01_020637,c1cccc(n12)c(cc(c2=N)C(C)=N)CN3CCC(CC3)c4cccnc4F -MOL_01_020638,NCc1ccc(cc1)NC2=CC(c3ccc(F)cc3)N(C2=N)c4ccc(CN)cc4 -MOL_01_020639,CN1CCC(C1)CCc(c(c2)CN)cc(N=C3N)c2C34CCC4 -MOL_01_020640,CC(C)(C)c1cc(C2CC2)nc(c1CN)N3CCCC3 -MOL_01_020641,CCC(=O)CCCCCc(c1)ccc(c12)nc3c(c2)n(C)c(n3)C -MOL_01_020642,CNc1cc(ccc1N)-c(c2N)cnc(c23)c(N)c(cc3)NC -MOL_01_020643,NCCCn(n1)c(CCC)c(c12)ccc(c2)C(=O)NC(C)C3CCCCC3 -MOL_01_020644,Cc1cccc(c1)C(C(C2=O)n3cncn3)Cc(c24)cccc4 -MOL_01_020645,c1ccccc1C2C(CN)=C(N)N(C=C2C(=C)CN)c3ccc(cc3)Cc4ccccc4 -MOL_01_020646,NCc(c1)ccc(c12)nccc2C3CC(=C)N(C3)C4CCN(CC4)Cc5ccc(CN)cc5 -MOL_01_020647,NCc(c1)c(CN)cc(c12)CCN(C(=C)c3ccccc3)C2CCc4ccc(NC)cc4 -MOL_01_020648,c1cc(C)cc(c12)CC(N)=C(C(O)CCC)C2c3cccc(c3)CN -MOL_01_020649,c1ccoc1-c2nnc(n2CCOC)CCC(=O)NC3CCCC3 -MOL_01_020650,Cc1ccc(CN)c(c1)N(C(=N2)CCC2(C)C)C(=N)c3ccc(CN)cc3 -MOL_01_020651,COc1ccc(c(OC)c1C)CC(O)c2ncccc2C(=O)Nc3ccncc3 -MOL_01_020652,Cc(c1)cc(C)c(c12)cc(CN)c(n2)CCC(=N)Nc(c3)ccc(c34)CCC4 -MOL_01_020653,CCCc1nc(CC)c(C(C)N)n1Cc2ccc(cc2)-c3ccccc3C(C)N -MOL_01_020654,C=C1CCN(CC1)c2ccc(C)c(c2)-c3ccnc(n3)N -MOL_01_020655,c1ccccc1CC2(C(=N)CC)CC(=N)N2C(=N)NC(C)c3ccccc3 -MOL_01_020656,Cc1ccccc1NC(=N)c2c(C)nc(C)c(CN)c2-c3ccc(Cl)cc3 -MOL_01_020657,CCCCc1cc(CN)c(cc1Cl)C(N)Nc2cccc(c23)CN(C)CC3 -MOL_01_020658,CCCc(n(n1)CC)c(c12)ccc(c2)C(N)NC3CCCc(c34)cccc4 -MOL_01_020659,O=C(O)CC(C12)C(CCC1)CN(C2)Cc(c3)ccc(c34)Cc5c(N4)nccn5 -MOL_01_020660,NCCCc(c1C)c(N)nc(n12)nc3c2cccc3 -MOL_01_020661,Cc(c1)ccc(c12)c(ccn2)NCCCNC(CC3)CCC34N=NC5(N4)C6CC7CC(C6)CC5C7 -MOL_01_020662,n1ccnc(c12)c(C)c3c(c2C)C(=O)N(C3=O)Cc4cccc(F)c4 -MOL_01_020663,CCc1ccc(cc1)C(N)CC(Nc(c23)cc(N)cc3)C(=C2)c4ccc(N)cc4 -MOL_01_020664,Cc1c(C)c(O)nc(n12)nnc2CCC(=O)N3CC(C)OC(C)C3 -MOL_01_020665,NCc1cc(ccc1)C2N(c3ccc(CN)cc3)C(=N)C2CCCc4ccccc4 -MOL_01_020666,Cc1cc(N)cc(C)c1CC(N)C(=N)N(C(C2)C(=N)N)Cc(c23)cc(cc3)-c4ccc(F)cc4 -MOL_01_020667,C1CCC(N)=NC1(C)c2cc(ccc2C)Nc3ncccc3CN -MOL_01_020668,NCc(c1)c(CN)cc(c12)CCCC2(C)CCN3CCN(CC3)c4ccccn4 -MOL_01_020669,NCc(c1)ccc(c12)CN(C2=C)CC3(C(=C)NC(=C)N3)/C=C/c4ccc(cc4)-c5ccccc5C -MOL_01_020670,Cc(c1)ccc(c12)nc(N)c(c2)C(N3)CNC(N)c(c34)cccc4 -MOL_01_020671,NCc(c1N)c(N)nc(c12)CC(C2)CCc3ccccc3 -MOL_01_020672,CC(=O)CCCCc1c(N)cc(N)c(c1N)C(=O)N2CCCCC2 -MOL_01_020673,Cc1cc(on1)-c2cccc(c2)C(N3)CC(=O)Nc(c34)cc(C(F)(F)F)c(c4)C -MOL_01_020674,c1ccncc1C(=N)NC(C(C)C)C(=N)N(CC2(C)C)CCC2(O)c3ccc(Cl)cc3 -MOL_01_020675,c1cccc(c12)cccc2CN(C(=CCC3)C34C(=N)NCC)C(=N)C(C4)CC(=N)NCc5ccccc5 -MOL_01_020676,CC(C)N1CCC(CC1)CCc(nc2)cc(c23)CNCC3c4ccc(CN)cc4 -MOL_01_020677,NCN1C(=C)C=Cc(c12)cnc(n2)Nc3cccc(C)c3 -MOL_01_020678,Cc1cc(C)c(O)c(c1C)-n2cc(nn2)-c3ccc(ON)c(c3)ON -MOL_01_020679,c1ccccc1C(N)c2c(C)n(Cc3ccccc3)c(c2)C(N)NCc4cccc(N)c4 -MOL_01_020680,c1ccc(c12)nc(n(c2O)CC)NC3CCCCC3 -MOL_01_020681,c1cccc(c12)NC(=N)C2CCCCN3CCN(CC3)c4ccccc4 -MOL_01_020682,CCCCNC(O)c(c1C)c(O)nc(c12)cc(cn2)Cc3ccccc3 -MOL_01_020683,CCNc1cc(NCC)nc(n1)NC(C(=N)N)C(NC)(c2ccccc2)c3ccccc3 -MOL_01_020684,CNc1cccc(c1)-c(ncc(c23)cccc3)c2CNC(=N)c4ccc(F)cc4 -MOL_01_020685,COC(=O)c1ccc(cc1)C2(C)CC(=NC2=O)NC(C)c3ccc(F)cc3 -MOL_01_020686,NCc1ccc(cc1)C2(C)CC(=C)C(c3ccc(CN)c(c3)CN)=C2Cc4ccccc4 -MOL_01_020687,Cc(n1)ccc(c12)cc(cc2N)-n3cc(N)nc3CN -MOL_01_020688,c1ccccc1CN(C)C(N2O)=NN(O)c(c23)cc4c(c3)CCC4 -MOL_01_020689,CC(C1)=CCC(C12)C(=N)N(C2=N)c3ccccc3CC(=N)c4ccccc4F -MOL_01_020690,c1cccc(c12)c3c(C2(C)C(F)(F)F)cc(cc3C(C)=N)C(=N)N4CCC4 -MOL_01_020691,COc1c(OC)cc(cc1OC)C2=NC(=O)N=C2C(=O)Nc3ccc(C)c(Cl)c3 -MOL_01_020692,NCC(=C)c1cc(ccn1)C(=C)N(C2CC)CCc(c23)cccc3 -MOL_01_020693,CCNC(=N)C1=CCN(C1C(C)C)C(=N)c2ccc(c(F)c2)N3CCCCC3 -MOL_01_020694,c1ccccc1C(=N)CCc2n(C)c(cc2)Cc3nn(C)c(=N)c(c34)cccc4 -MOL_01_020695,COc1ccc(cc1C)C(=O)C2CCN(CC2)C(=O)CCCC(N=3)=NC(=O)C(C34)=CC=C4C -MOL_01_020696,CC(O)c(n1)cc(n12)nc3c(c2C)cc(Cl)cc3 -MOL_01_020697,OCC1CCN(CC1)c2cc(C)cnc2CC3CN(C3)c(n4)ccc(c45)cccc5 -MOL_01_020698,NCCCC(C(=C)C)NC(=C)c1ccc(cc1)CNc(c2Cl)ccc(c23)nc(N)nc3C -MOL_01_020699,NCC(C)(C)c1ccc(cc1)-c2ncnc(C)c2/C=C/c3ccc(N)nc3 -MOL_01_020700,CCOc1ccc(cc1OCC)CCNC(O)C(=C(C)C(O2)O)C23CCCCC3 -MOL_01_020701,COc1ccc(cc1)C(=O)NCCc2nnc(n23)ccc(n3)CCC(=O)Nc4ccccc4C -MOL_01_020702,OCC1CCN(CC1)c2nccnc2CC3CCN(C3)c(n4)ccc(c45)cccc5 -MOL_01_020703,CCCCCCc1c(CN)ccc(c12)cc(c(n2)C)C(N)Nc3ccccc3N -MOL_01_020704,Fc1ccc(cc1)C(N)CCCN2CCC(CC2)C(N)c3ccc(Cl)cc3 -MOL_01_020705,FC(F)(F)c1cc(ccc1)C(N)Nc2ccc(C)c(c2)-c3cc(cnc3N)N4CCNCC4 -MOL_01_020706,CCC1CCCCN1CCCNC(=O)c(c(=O)n2)c(C)n(c23)cccc3C -MOL_01_020707,NCCCNC(=C)C(C1=C)=CN(CCCC)c(c12)cc(Cl)cc2 -MOL_01_020708,CNc(cc1)cc(c12)nc(c(c2N)NCC)-c3ccc(NC)c(c3)NC -MOL_01_020709,Cc1ccc(cc1Cl)N2C(O)C(Cl)=C(C2O)N3CCCCC3 -MOL_01_020710,NCc(c1)ccc(c12)CC(C)(C)C(=O)C2n3ccccc3=O -MOL_01_020711,Cc1cccc(c1)-c2cc(Cc3cccnc3)nc(n2)N4CCCCC4 -MOL_01_020712,Cc1ccc(cc1)C(O)Nc2nn(C)c(c23)cccc3C -MOL_01_020713,CNc1ccc(c(N)c1)C(C2)CNc(c23)c4c(cc3)NC(C)(C)C=C4 -MOL_01_020714,CNc1nccc(n1)/C(CN)=C(N2)/Cc(c23)cccc3 -MOL_01_020715,CCCC(=N)c1c(C)c(c(C)n1C)C(=N)NCc2ccc(Cl)cc2 -MOL_01_020716,Nc1cc(O)nc(n1)CCC(=O)NC2CCCc(c23)cccc3 -MOL_01_020717,c1cc(=O)c(C)cc(c12)C(NC(=O)C(F)(F)F)CCc3c2c(CN)c(CN)c(c3)CN -MOL_01_020718,Clc(c1)ccc(c12)c(cc(=O)n2C)CCC(=O)NCCCN3CCOCC3 -MOL_01_020719,c1ccccc1-c(no2)c(c23)ccc(c3CCC)NCCCNc4ccc(cc4)NC(C)C(N)N -MOL_01_020720,CCc(c1)ccc(c12)nc(-c(cc3C)ccc3)nc2CCC(=O)NCC4CCCO4 -MOL_01_020721,COc1ccc(cc1)C(=O)NCCCCC(=O)C(N2O)=C(C)N(O)c(c23)cccc3 -MOL_01_020722,C1CCCCC1CN(C(=N)c(c23)cccc3)CC(=N)N2Cc4ccc(CN)cc4 -MOL_01_020723,c1ccccc1C(N)c(cc2CN)n(c23)c4c(cc3)c(NN)ccc4 -MOL_01_020724,Cc1cccc(c1)-c2c(CN)c(O)nc(c23)nc(O)nc3O -MOL_01_020725,COc1ccc(cc1)C(O)Nc2c(oc(c23)cccc3)C(O)c4ccccc4 -MOL_01_020726,N=C(O)Cc1cnc(c(c12)cccc2)C(=N)c3ccc(cc3)NC(=N)c4ccncc4 -MOL_01_020727,n1cccc(c12)c(NC)cc(NC)c2Nc3cccc(c3)C(=O)C -MOL_01_020728,c1cccc(c12)n(nc2C(C)CC)C(C)c3cccc(N)c3 -MOL_01_020729,C1CCc(c2C)c1c(C)c(C3)c2C(=N)C34NNCC4c5ccccc5C(=N)CN -MOL_01_020730,c1cccc(c12)c(cc(=O)n2C)CCCCC(=O)Nc3ccccn3 -MOL_01_020731,CCCCc1nc(C)c(C(C)=N)c(c12)CCC(C2)c3ccncc3 -MOL_01_020732,CCCCCn1ccc(c12)c(ncn2)CN -MOL_01_020733,c1cccc(c12)C(N)CN2C(=N)CN3CCN(CC3)Cc4ccc(Cl)cc4 -MOL_01_020734,CCOC(=O)c(c1C)cnc(n12)nc(n2)CCc3ccccc3 -MOL_01_020735,CNc(c1)ccc(c12)CCCC2NC(N)C(c3ccccc3)c4ccccc4 -MOL_01_020736,CNc(c(C)c1)cc(c12)n3c(cnc3)c(n2)Cc4ccccc4C -MOL_01_020737,CNc1cccc(c1)CN2CCN(CC2)CCCNc(c3)ccc(c34)c5c(c(n4)N)cccc5 -MOL_01_020738,NCc1cccc(CN)c1C2CCCCC(=C)N2Cc(c3)cnc(c34)cccc4 -MOL_01_020739,Cc1ccc(cc1)CCC(=O)NCC(=O)NC2CCCCC2 -MOL_01_020740,C1CCCC1(C(N)N)c(c2)ccc(c23)C(N)C(CN3)CCc4ccc(cc4)-c5ccccc5 -MOL_01_020741,c1ccccc1-c2c(CN)c(C)nc(n2)CCc3cccc(c3)C(C)C -MOL_01_020742,CCCC(=O)c(n1)cn(c12)nc(cc2)Cc3ccc(cc3)NC(=O)C -MOL_01_020743,CCn1c(CC)nc(c12)C(O)c3c(C2O)cccc3 -MOL_01_020744,c1ccccc1N(C)C(c(c23)cccc3)C(C)(C)C(N2)NCCCO -MOL_01_020745,NCc(c1)c(CN)cc(c12)C(=C)N(CC2)C3CCCN(C3)CCCCc4ccc(Cl)cc4 -MOL_01_020746,NCC(=C)c1ccccc1NC(=C)CN2CCC(CC2)N3C(=C)CCc(c34)cccc4C -MOL_01_020747,NCc1ccnc(c1)CC2CCC(C)N(C2)C(=O)c3ccc(CN)nc3Cl -MOL_01_020748,c1ccccc1C2C(=O)N=C(N)N2C(=O)CCc3ccccc3 -MOL_01_020749,Cn1cc(cn1)-c(c2)cnc(c23)ccc4c(c3=N)cc(cc4)CC(=N)Nc5ccccc5 -MOL_01_020750,Cc1ccc(cc1)NC(=C)CN(C2=C)C=Nc(c23)n(nc3)C(C)(C)C -MOL_01_020751,c1ccccc1Cn2c(C)c(cc2C)C(=N)CCC(=N)C(CC3)N(C34C)C(=N)CC4 -MOL_01_020752,CNc1cccc(c1C)C(N)NC2(CCCC2)C(N)c3ccc(Cl)cc3 -MOL_01_020753,O=C(N=1)N=c(c12)cccc2Oc3cccc(c3)NC(=O)c4ccnn4-c5ccccc5 -MOL_01_020754,C=CCCC(=N)CC1C(CN)=C(N)Cc(c12)ccc(c2)-c3cccc(N)c3 -MOL_01_020755,c1cccc(c12)c(nnc2N)Cc3ccc(F)c(c3)C(N)N4CCN(CC4)C(N)C5CCCCC5 -MOL_01_020756,CCc1nnc(nn1)-c2ncncc2C3CNC(=O)N3CC(C)C -MOL_01_020757,Cc1ccc(cc1)CCNC(c2ccccc2)(c3ccccc3)C(C(N)N)Nc4nc(C)cc(n4)C -MOL_01_020758,CC(C)c1cc(N)nc(c12)ccc(c2)CCN -MOL_01_020759,CNC1CC(C1)Nc2cc(F)c(F)c(c2)-c(c3)ccc(c34)NC(CC4)CCC(N)N -MOL_01_020760,C1CCCN1C(=N)CC(C2)C(=N)N(C(=CCCC3)C23C(=N)NCC)CCc4ccc(NC)c(c4)NC -MOL_01_020761,COc1ccc(cc1)C2CCC(=O)N2CCN3CCOCC3 -MOL_01_020762,O=C(N1)CCc(c12)ccc(c2)C(=O)CCC(=O)c3ncc(Cl)c(Cl)c3Cl -MOL_01_020763,CC(C)c1nc(C)nc(c1)-c2ccc(c(N)c2)CCC(C)C -MOL_01_020764,Cc1ccccc1N(C2N)N=C(C2=3)CNc4c(C3)cccc4 -MOL_01_020765,Nc1ccc(cc1)C2CC(c3ccccc3)=NN2C4=NC(N)CC4 -MOL_01_020766,Cc1cc(ccc1)N(CC)CCNCc2noc(n2)-c3ccc(CN)cc3 -MOL_01_020767,Nc1cc(ccc1)C2NC(=C)N(CCCC)C(C)=C2C(N)NCC -MOL_01_020768,CCCc1ncccc1C(=N)N2CCN(CC2)c3cc(Cl)ccc3C -MOL_01_020769,CCCCc(n1)cc(n12)ncc(c2O)NC(O)c3ccc(C)cc3 -MOL_01_020770,Fc1ccc(cc1)C(C)c(n2)cn(c23)c4c(c(c3)CN)cccc4 -MOL_01_020771,c1ccoc1C(C)Nc2nccc(n2)N3C(=O)CCC3C(C)C -MOL_01_020772,c1ccccc1CN(c(c23)cc(CN)c(c2)CN)C=C(C3=C)C(=C)c4ccc(CC)cc4 -MOL_01_020773,C=C(C)CCN1N=C(C(C(=C)C)=C(N)C1=C)c2ccccc2 -MOL_01_020774,c1ccccc1C(CC)Nc2c(c(=N)c2=N)Nc3cccc(C(=N)N(C)C)c3CN -MOL_01_020775,Oc1c(C)cc(cc1C)C(C(F)(F)F)(C(=O)CN)Nc2ccc(Cl)c(Cl)c2 -MOL_01_020776,Cc1cc(C)c(c(C)c1)Cc2cc(nc(n23)ncn3)Nc4ccc(CN)cc4 -MOL_01_020777,NC(N)C1CCC(=O)Nc(c12)n(nc2)-c3ccc(Cl)cc3 -MOL_01_020778,NCC1CCCN(C1)C(=O)c2cccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_020779,CC(O)C(N)Cn(c(O)nc1O)c(c12)ccc2 -MOL_01_020780,c1ccncc1CN(CC2)C(N)c(n23)ncc3CCCC4CCCCC4 -MOL_01_020781,CC(C)CC(C(=O)N)NC(=O)c1cc(CCC(F)(F)F)c(cn1)C2CC2 -MOL_01_020782,NCc1ccc(cc1)CCC(c(c23)cc(CN)c(c3)CN)N(CC2)C(N)c4cc(Cl)cc(Cl)c4 -MOL_01_020783,CN1CCCC1CCCc(c(c2)CN)cc(N=C3N)c2C34CCC4 -MOL_01_020784,Cc1cccc(c1)NC(C2O)=C(C(O)c(c23)cccc3)N4CCCCC4 -MOL_01_020785,Nc1ccc(cc1)-c(c2N)cnc(c23)cc(cc3)NCC(N)N -MOL_01_020786,C1CCCC(C1=2)=C3C(C2)=NC(=NC3=O)c4ccc(Cl)cc4Cl -MOL_01_020787,NC1NCCn(c12)c3c(c2)cc(cc3)CC4CCN(CC4)CC5CC5 -MOL_01_020788,CN1CCC(CC1)CNC(O)c2ccc(cc2)-c3noc(n3)C(C)(C)C -MOL_01_020789,Clc1ccc(cc1)-c2c(ncnc2N)/C=C/c3ccc(nc3)N4CCOCC4 -MOL_01_020790,CC(C)NC(O)CCc(c1C)c(c(n12)C=CC2)CCC(O)NC(C)C -MOL_01_020791,NCc1ccc(cc1CN)CCNC(=C)CCCCCN(C2=C)C(=C)C(N23)Cc4c(C3)cccc4 -MOL_01_020792,NCc1ccc(cc1)N(C)c2nc(Cl)ccc2C(=O)CN -MOL_01_020793,CNc1cccc(c1)NCC2CN(CCN2)CC(N)N3CCc(c34)cccc4 -MOL_01_020794,CNc1ccc(cc1)N2CC(NC2=N)CN(CC3)CCC3(N)c(c4)ccc(c45)NCC5 -MOL_01_020795,n1cnc(N)c(c12)C(=C)N(CCC2)c3ccc(cc3)-c4ccccc4 -MOL_01_020796,C1CC(=O)c(c12)ccc(c2C)C(C)CN(CC3)CCC34CN(C4)c5ccc(cn5)CN -MOL_01_020797,CC(O)c1ccc(cc1C)-n2cc(CN)c(c23)ccc(c3)CN -MOL_01_020798,NC(N)Cn1ccc(c12)c3c(cc2)nc(cc3N)-c4ccccc4 -MOL_01_020799,CCCc1ccccc1NC(O)CCC(O)C2CCC2 -MOL_01_020800,CCN(CC)C(N)Nc1cccc(c1)-c(n2)cc(N)c(c23)c(N)c(NC)c(c3)NC -MOL_01_020801,CCC(=N)c1ccc(C)cc1C(CNN2)C23Cc4c(C3=N)cccc4C -MOL_01_020802,c1cccc(c12)c(c(O)n2CC)NNC(=N)CNc3ccc(C)cc3 -MOL_01_020803,c1ccccc1-c2nnc(n2CC)CC(C)C(O)NCc3ccco3 -MOL_01_020804,c1ccncc1C2C(CN)=C(N)Cc(c23)ccc4c3cccc4 -MOL_01_020805,c1ccccc1CN(C)CC(O)Cn(c2O)cnc(c23)ccc3 -MOL_01_020806,Cc1cccc(c1)NC(C2N)=C(C(N)c(c23)cccc3)N4CCCCC4 -MOL_01_020807,c1cccc(c12)nc3c(c2)CN(C3=N)CC(C)CN4CCN(CC4)c5ccccc5 -MOL_01_020808,C1CC1C(C2CC2)N(CCC)c3nccc(n3)-c4c(CN)cc(CN)cc4CN -MOL_01_020809,Nc(n1)ccc(c12)cccc2CC(N)CNC3CCCCC3 -MOL_01_020810,CCNC(=O)NC(N=1)=Cc(c12)cc=3c(c2)N=C(C3)NC(=O)NCC -MOL_01_020811,Nc1ccc(cc1)-c2nc(CC(=O)C)cc(c23)cc4c(c3)CCC4 -MOL_01_020812,Nc1cc(N)cc(c12)C(c3ccccc3)=C(C2N)c4ccc(N)cc4 -MOL_01_020813,CCCCc1ccc(cc1)-n2nnnc2CCC(=O)Nc3cc(OC)c(N(O)O)cc3C -MOL_01_020814,NC(N)CCc1n(C)c(C)c(c1C)C(N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_020815,n1cccc(c12)ccc(c2C)C(Nc3cc(C)c(Cl)cn3)c4ccc(CN)c(CN)c4CN -MOL_01_020816,Cc1c(Cl)cccc1CNC(=O)C2CCCc(c23)nccc3 -MOL_01_020817,C1CCCCC1C(=N)NCC(c(c23)cccc3)N(CC2)C(=N)CN(C4=N)C(=N)c(c45)cccc5 -MOL_01_020818,COc(c1)ccc(c12)C(O)C(=C(O)C2O)CC=C(C)C -MOL_01_020819,Cn1cccc1Cc2nnc(n2-c3ccc(F)cc3)CCC(=O)Nc4ccc(F)cc4 -MOL_01_020820,CNc1cc(cc(NC)c1C)C(=O)NC(C)c2ccc(Cl)cc2 -MOL_01_020821,CC(=N)Nc1ccc(cc1)CN2CCN(CC2)CCCc3cccc(c34)nc(C)cc4 -MOL_01_020822,Fc1ccccc1Cc2c(CN)cc(c(c23)nccc3C)NC(C)CCCN -MOL_01_020823,Nc(n1)ccc(c12)cccc2CC(N)CNC3CC3 -MOL_01_020824,CCCCNC(=O)c1cc(CC)c(CC)cc1NC -MOL_01_020825,CCc1ccc(cc1)N2C=C(C(N)CN)C(C(CN)=C2N)c3ccc(CN)cc3 -MOL_01_020826,CCc1cnc(cc1)NC(=C)c2cc(cn(c23)ccn3)Cc4cncc(F)c4 -MOL_01_020827,CCCC(N1)CNC(O)c(c12)ncn2Cc3ccccc3 -MOL_01_020828,Cc1ccc(cc1)-c2nnc(CCC(=O)NC(C)(C)C)nc2-c3ccc(C)cc3 -MOL_01_020829,NCc1ccc(cc1)C(CC2(C(=C)CN)C(=C)CN)N(C2c3ccccc3)Cc4ccccc4CN -MOL_01_020830,CC1(C)CCNc(c12)ccc(c2)C(N)/C=C/c3ccc(C(N)N)cc3 -MOL_01_020831,C1CNc(c12)ccc(c2)C(N)CCN3CC=C(CC3)Cc4ccccc4 -MOL_01_020832,C=CCN(C)c1cc(CCO)nc(n1)CC -MOL_01_020833,Cc1cccc(c1)C(=N)N2CCc(c23)cc(cc3)CNC(=N)c4ccnn4C -MOL_01_020834,CNc1cccc(C(=O)CN)c1CN2CCN(CC2)c3ccc(F)cc3 -MOL_01_020835,Cc1cccc(c1)-c2nnc(n23)CC(C3)(N)N -MOL_01_020836,CC(C)CN1C(=N)CN(C1=N)Cc2ccc(cc2)-c3cccc(n3)CN4CCCC(C)C4 -MOL_01_020837,C1CCCc(c12)nc(C)c(c2C)C(=O)NCCN(C)C -MOL_01_020838,COc1ccc(cc1)-c2nc(nc(O)c2CN)CCc3ccc(CN)cc3 -MOL_01_020839,NCc1ccc(cc1)CCc2ncnc(c2NC=O)-c3ccno3 -MOL_01_020840,c1ccccc1C(CC(N)O)CCCN2CCN(CC2)c3ncccc3Cl -MOL_01_020841,Cc(n1)cc(C)n(c12)nc(n2)CCC(C)N(CCCN)c3ccc(F)cc3 -MOL_01_020842,CCc1ccc(cc1)NNC(=O)NC(C(=O)C)Cc2ccccc2 -MOL_01_020843,c1ccc(N)c(c12)nc(N)c(c2)-c3ccccc3C(N)N -MOL_01_020844,Cc1ccnc(c1)NC(c2cccc(c2)NN)c(c3C)ccc(c34)cccn4 -MOL_01_020845,Cc(c1)ccc(c12)CC(CC)C(=N)N2CC(=N)N3CCN(CC3)c4ccccc4CN -MOL_01_020846,COc1cccc(OC)c1C2CCC(=O)N2c3nccc(n3)C -MOL_01_020847,c1ccccc1C2(C)NC(=N)N(C2=N)CCCN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_020848,NCc1c(CN)cc(cc1CN)N2C(=CC=CC2=C)c3ccc(CN)c(c3)CCc4ccccc4 -MOL_01_020849,CC(C)CNc1cccc(c12)ncc(c2N)Cc3ccc(C(N)N)cc3 -MOL_01_020850,CN(C)C1CCN(C1)c2ccc(cn2)-c(c3N)ccc(c34)cc(cc4)-c5ccccc5 -MOL_01_020851,Cn1cnc(c12)CN(C(O)CN(C)C)CC2CCCC3CCCCC3 -MOL_01_020852,CCNc1ccccc1Nc2c(C(N)NCC)cnc(c23)c4c(cc3)cccc4 -MOL_01_020853,Cc1cc(ccc1)C2C(C(N)CCC)=C(N)Cc(c23)ccc4c3cccc4 -MOL_01_020854,NCCC(=O)N1CCC(CC1)NC(=O)c(c2)ccc(c23)CCCN3Cc4ccccc4 -MOL_01_020855,c1ccccc1C(C)Nc2nccc(n2)N(C(=O)CC3)C34CCCC4 -MOL_01_020856,CCc1ccccc1NC(O)Cn2nc(C(C)(C)C)c(c23)CCC3 -MOL_01_020857,NCc1ccccc1CNC(C)CCC(C)N2Cc(cccc3CN)c3Cc(c24)nccc4 -MOL_01_020858,CCNc1c(NC)cccc1C2CC(N)Nc(c23)cc(NC)c(c3)NC -MOL_01_020859,c1ccccc1C(CC)NC2=C(N)C(N)=C2Nc3cccc(c3C)C(N)NC4CC4 -MOL_01_020860,CCNC(N)c1c(C)c(c(C)n1C)C(N)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_020861,Nc1ccccc1C(N)Nc2cccc(c2)Cc3nnc(N)c(c34)CCCC4 -MOL_01_020862,C1CCc(c12)ccc(c2)C(C(=O)C)N3N=C(CCC3=O)c4ccccc4 -MOL_01_020863,C1CCNc(c12)ccc(c2)CCC(C)CNCCc3ccc(CN)c(c3)CN -MOL_01_020864,CCNc(n1)ncc(c12)N=CC(=C)N2Cc3cccc(c3)CC -MOL_01_020865,CCc(c1)ccc(c12)CN(C2=C)CC3(C(=C)NC(=C)N3)/C=C/c4ccc(cc4)CCN -MOL_01_020866,c1nccnc1CC2N(CCCNC2=C)C(=C)CC(N)Cc3cc(F)c(F)cc3F -MOL_01_020867,CNc1cc(ccc1N)-c(n2)cc(N)c(c23)ccc(C)c3C -MOL_01_020868,CC1CCC(=O)N(C1=O)CC(=O)NCCc2ccccc2 -MOL_01_020869,NCC1CN(C1)c2ccc(C(O)NC3(CC(N)O)CCC3)nc2CCC4CC4 -MOL_01_020870,NC1CCCC(=C12)N=C(C)NC2c3ccccc3 -MOL_01_020871,CC1CC(N)(N)c(c12)ccnc2NCC(C)CCc3ccccc3 -MOL_01_020872,CC(O)c1ncnc(c1CCC)-c2ccc(Cl)c(Cl)c2 -MOL_01_020873,C1CCCC1C(C)(C2O)Cc(c23)cc(c(F)c3F)OCCCC(O)O -MOL_01_020874,CCc(c1)ccc(c12)C(C(=C(C2)N)CN)c(cc3NC)cc(c34)CCCC4 -MOL_01_020875,CC1=CN=c(c12)c(N)cc=3c2N=NC3 -MOL_01_020876,Cc(n1)nc(c12)nc3n(c2C)CCC3 -MOL_01_020877,CC(C)Oc1cc(F)ccc1N2CCN(CC2N)C(N)c3cccc(C(F)(F)F)c3Cl -MOL_01_020878,CC(=O)Cn1cnc(c12)c(ncn2)CCc3ccccc3 -MOL_01_020879,NC(N)c1cc(ccc1)NCc(n2C)nc(c23)ccc(c3)Nc4ncccc4Cl -MOL_01_020880,c1cc(C)cc(C(=O)NC2)c1CC23CCN(CC3)C(=O)c4ccnn4C -MOL_01_020881,NCc1ccc(cc1CN)C2NC(=C)NC(C)=C2C(=C)CCc(c3)ccc(c34)CNC4 -MOL_01_020882,CCN1CCCC1CNC(=O)c(c2)ccc(c23)CC(C(=O)N3)Cc4ccccc4F -MOL_01_020883,CNc(c1)ccc(c12)n(C)c(c2)C(N)NC(C(N)N)Cc3ccccc3 -MOL_01_020884,CNc1cccc(c12)C(N)C(=CC2N)Nc3ccc(C)cc3 -MOL_01_020885,CCCCC(=N)CCC1=C(CN)C(C(CN)C(=N)N1)c2ccccc2CCC -MOL_01_020886,CC(=O)Nc1ccc(cc1)C(=O)NCC(=O)CCc2c(F)cccc2Cl -MOL_01_020887,NCc1cc(ccc1)C(=N)c2cc(CN)c(n23)ccc4c3cccc4Cl -MOL_01_020888,c1cccc(c12)N(C(=N)C2=N)CN3CCN(CC3)Cc4cccc(F)c4 -MOL_01_020889,CNCCNCNc1ccc(-c(c2)ccc(c23)cc(cc3)C(=N)N)cc1C45CC6CC(C4)CC(C6)C5 -MOL_01_020890,c1cnccc1-c2nnc(n2C)CCC(O)Nc3ccc(cc3)NC(O)c4ccccc4 -MOL_01_020891,Cc1ccc(cc1N)N2CC(CC2N)c3ccc(CN)c(c3)CC4CCCC4 -MOL_01_020892,CCc1ccc(cc1)NC(C2O)=CC(O)c(c23)ncnc3 -MOL_01_020893,NCc1ccc(cc1CN)NC(=N)C2(C)CCN2C(=N)c3ccccc3CCc4ccccc4 -MOL_01_020894,CCCN1CCN(CC1)C(O)c(n2)cn(c23)c4c(cc3)cc5c(c4O)cccc5 -MOL_01_020895,O=CNC(C(C)C(C)(C)C1)c(c12)cc(cc2)CN -MOL_01_020896,COc1ccc(OC)c(c1)NC2CCCCN2C(=O)c3ccc(cc3)N4C(=O)CCC4=O -MOL_01_020897,NCc(c1)c(CN)cc(c12)ncc(CN)c2Nc3ccc(Cl)cc3F -MOL_01_020898,NCC(=C)c1cc(cc(c1)C(=C)CN)NC(=C)CC2C(=C)NCCN2C(=C)c3ccccc3 -MOL_01_020899,COc1ccccc1N2CCN(CC2)CCCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_020900,C=C(N)CCC1(N)CN(N(C(=C)N)C1=C)c2ccccc2 -MOL_01_020901,N=C(N)c1ccc(cc1N)-n2cc(CN)c(c2)-c3c(CN)ccc(c34)cccc4 -MOL_01_020902,c1ccccc1N2CCN(CC2)C(=N)CCn(c3=N)nc(c(c34)cccc4)-c5ccccc5 -MOL_01_020903,C1C=CCC1C(=N)N(Cc(c23)ncn3C)CC2CCCC4CCCCC4 -MOL_01_020904,c1ccccc1CCc2nc(N)c(CC)c(n2)C(N)c(c3)ccc(c34)cccc4 -MOL_01_020905,C1CCCCC1n2c(nnc2O)CCc3nnc(o3)-c4cccc(Cl)c4 -MOL_01_020906,CNc1ccc(C(C)N)cc1Cn2c(N)cc(c2C)C(N)NCc3ccc(C(C)C)cc3 -MOL_01_020907,CCCn1cc(cn1)Nc2nccc(n2)-c3ccc(c(c3)CN)CC4CCCCC4 -MOL_01_020908,c1ccnc(c12)CCCC2C(=O)NCc3cccc(Cl)c3Cl -MOL_01_020909,NCc(c1)c(CN)cc(c12)CCN(C(N)c(cc3F)ccc3)C2CCc4ccc(F)cc4 -MOL_01_020910,CN1C(=C)N(C)C(=C)c(c12)nc(cn2)NCC -MOL_01_020911,CC(C)(C)C(C(=O)N)NC(=O)c1ccc(C2CC2)c(n1)CCC3CC3 -MOL_01_020912,CC(C)(C)c1ncccc1C(=C)N(C2)CC(C23)CN(C3)c4nc(C)cc(n4)C -MOL_01_020913,C1CCCCCC1NC(=N)C(c(c23)cccc3)N(C2=N)Cc4cccnc4 -MOL_01_020914,FC(F)(F)Oc(cc1)cc(c12)cc(N)n2CCn3cc(nn3)-c4ccc(N(O)O)cc4 -MOL_01_020915,COc1ccc(cc1)CN2C(=N)C(CC(=C2C)C(=N)N(C)C)CC(=N)NCc3cccc(c34)cccc4 -MOL_01_020916,CC(=O)c(c1C)cnc(c12)nc3c(c2)CCCN3 -MOL_01_020917,CC(C)(C1)N=C(C)NC12Cc3c(c(C)cc(c3)C)C(C2)c4ccc(CN)cc4 -MOL_01_020918,COc1cc(ccc1)OCc2nnc(n2CC)CCC(=O)Nc3ccccc3C(=O)OC -MOL_01_020919,CCCC(N)N1CCN(CC1)C(N)c(c2)ccc(c23)CCCN3Cc4ccc(C)cc4 -MOL_01_020920,CN1CCN(CC1)CCCc2cccc(c23)c(O)nc(c3)N4CCCCC4 -MOL_01_020921,NCc(c1)c(CN)cc(c12)CCN(C2)c3ccc(nn3)-c4ccccc4CN -MOL_01_020922,CCc1nccc(c12)c(nc(n2)N)Nc3ccccc3 -MOL_01_020923,NCc1ccc(cc1)C(C)Nc2nccc(n2)N3C(=O)CCC3C(C)C -MOL_01_020924,c1ccccc1-n2nc(C(N)NCC)cc2NC(N)c3ccccc3NC -MOL_01_020925,n1cccc(c12)c(Cl)cc(c2N)CN3CCN(CC3)c4ccccc4 -MOL_01_020926,CC(C)N1CCC(CC1)Cc2cc(ccc2CN)C(=O)NCCc3ccncc3 -MOL_01_020927,CCc1cccc(Cl)c1CNC(=O)C2CCc(c23)nccc3 -MOL_01_020928,NCc1cccc(c1)N2CCN(CC2)c3nc(N)cc(N)c3CN -MOL_01_020929,Clc1cc(ccc1)C2CC(=N)N(C2=N)CN3CCN(CC3)c4cccc(C(F)(F)F)c4 -MOL_01_020930,C1CC1c2nc(no2)-c3ccc(cc3C)OCCCN4CCN(CC4)C(O)C(C)N -MOL_01_020931,Cc1ccc(cc1C)C(NOC)CCN2CCN(CC2)c3ccccn3 -MOL_01_020932,Cn1nnc(c12)CN(C(O)N(C)C)CC2CCCC3CC3 -MOL_01_020933,COc1ccc(cc1)CNC(=O)C2CCC(N23)Nc4c(C3)cccc4 -MOL_01_020934,C1CNCCC1Cc2cccc(c23)nc(n3C)C(=N)NCCc4ccccc4 -MOL_01_020935,Cc1ccc(c(Cl)c1CN)CC(=O)NC2CCc(c23)nccc3 -MOL_01_020936,CC(=N)c1cc(N)cc(c1)NC(=N)c2cccc(c23)c4c(C3=N)cccc4 -MOL_01_020937,CCC(CC)CCc(c1N)c(N)cc(c12)NC(CC2N)c3ccc(N)cc3 -MOL_01_020938,c1ccccc1C(CN2)C(c(c23)ccc(N)c3)c4ccc(cc4)NCCN5CCCCC5 -MOL_01_020939,c1cccc(c12)c(cc(=O)n2CC)CCC(=O)NCCN3CCN(CC3)Cc4ccccc4 -MOL_01_020940,COc1ccc(OC)c(c1)-n2nnnc2CCC(O)Nc3cc(C)ccc3OC -MOL_01_020941,COc1cc(ccc1)/C=C2\CC(=C)N(C2O)CCC(O)Nc3cccc(c34)non4 -MOL_01_020942,c1cccc(n12)c(cc(c2=N)C(C)=N)CN3CCC(CC3)c4ccc(F)nc4 -MOL_01_020943,NCc1cnc(nc1NC)Nc2cc(F)c(cc2CN)CN3CCCCC3 -MOL_01_020944,C1CC1CNC(=O)C(C2)Cc(c23)nccc3-c4ccc(Cl)cc4 -MOL_01_020945,OCc1ccc(cc1)-c2nccc(n2)CC3CN(C3)c(n4)ccc(c45)cccc5 -MOL_01_020946,c1ccncc1-c2cc(CCC)c(nc2)Nc3cccc(n3)C -MOL_01_020947,Nc(n1)cc(N)c(c12)c(N)n(c2)CN3CCN(CC3)c4ccccc4 -MOL_01_020948,COc1cccc(c1)NC(C2O)=CC(O)c(c23)cccc3O -MOL_01_020949,Nc1cccc(c12)CC(CN2C)C3=NCCN3 -MOL_01_020950,Nc1cccc(n1)-c2ccc(c(c23)CCC3)CCCN4CCCC4 -MOL_01_020951,Cn1cc(cn1)-c(c2)ccc(c23)n(c(c3)O)CCOc4ccnc(c45)cc(cc5)ON -MOL_01_020952,CNC(C)(C)Cc(n1C)nc(c12)C(O)C(C)=C(C)C2O -MOL_01_020953,CCCC(=O)C(C1)=CN(C)c(c12)cccc2CC(=O)N(C)C -MOL_01_020954,CN(C)c(c1)ccc(c12)C(C(=C(C2)N)CN)c3cccnc3 -MOL_01_020955,Cc1ccnc(c12)c(cc(c2)CN)NCCCCCCNC3CCC3 -MOL_01_020956,Nc1ccc(F)c(c12)CCCN2CC(N)NC3CCN(C(N)N)CC3 -MOL_01_020957,NCC(=O)c1ncccc1N2CCN(CC2)C(=O)CN3CCCCC3 -MOL_01_020958,CNc1ccc(cc1)C(N)NC(CCN(C)C)c2ccc(Cl)cc2 -MOL_01_020959,c1ccccc1C(C2(C)C)N=C(N2O)c3cccnc3 -MOL_01_020960,CCCNCCCCCCNc1cc(CN)cc(c12)c(C)ccn2 -MOL_01_020961,Cc1ccc(c(C)c1)C(=N)N2CCCc(c23)cc(cc3)C(=N)N4CCC4 -MOL_01_020962,CNc1ccc(cc1)CN2C(=N)CCC(C(=N)N)C2c3ccccc3 -MOL_01_020963,CCNC(=N)C1=C(C)NC(C)=C(C(=N)NC)C1c(c2)ccc(c23)NCN3 -MOL_01_020964,CCOc1ccc(cc1)/C=C2\CC(=C)N(C2=O)CCC(=O)Nc3ccc(O)c(c3)C(=O)O -MOL_01_020965,c1cccc(c12)c(cc(=O)n2C)CCC(=O)NCc3ccco3 -MOL_01_020966,c1ccncc1C2(CCN(C)CC2)C(=C)NC(C(=C)C)Cc3ccc(cc3)-c4ccccc4CN -MOL_01_020967,Cc1ccnc(c12)c(cc(c2)CN)NCCCCCC(C)NC(C)C -MOL_01_020968,c1cccnc1C(=O)NC(CCC2)CC23CN=C(C3)c4cccc(Cl)c4 -MOL_01_020969,Cc1ccc(cc1)C(C)CNc2nccc(n2)-c3ccc(N)nc3N -MOL_01_020970,Cc(c1)c(C)cc(c12)C(CC(N2)=C)c3ccc(CN)c(CN)c3CN -MOL_01_020971,c1ccccc1C(OC)(c2ccccc2)C(O)NCc3ccc(Cl)cc3 -MOL_01_020972,C1CCCN1C(=C)c2cc(c(CN)c(n2)C)-c3ccc(CC)cc3 -MOL_01_020973,c1ccccc1Nc2cc(C(=O)OC)cc(=O)n2Cc(c3)ccc(c34)OCO4 -MOL_01_020974,NCc1ccc(cc1)NC(=C)c(c(n2)C)cc(c23)C(=C)N(C=C3)Cc4ccc(CN)cc4 -MOL_01_020975,c1cc(F)cc(c12)cccc2N3CC(C)N(CC3)CCC4NCCc(c45)cc(cc5)C(N)N -MOL_01_020976,c1cccc(c12)ccc(CC)c2-c3cn(cc3CN)-c4ccc(C(C)N)c(C)c4 -MOL_01_020977,C1C(C2)CC(C3)CC1CC23NC(=N)c4nc(N)n(c4Cl)-c5ccccc5 -MOL_01_020978,CNc1ccc(cc1)N2C(N)C(Cl)=C(C2N)N(CCN)Cc3ccccc3 -MOL_01_020979,C1CC1C(N)c2c(C)c(c(Cl)cc2)C(=O)c3ccncc3 -MOL_01_020980,c1cccc(c12)c3c(n2)c(C(=N)CN)c4c(c3C)cn(cc4)CCCN -MOL_01_020981,C1CCCN1C(=C)c2cc(N(C)C)nc(n2)Nc3ccc(C)c(c3)CN -MOL_01_020982,CNc1ccccc1C(C2(C)C)N(C2N)c3cccc(C)c3 -MOL_01_020983,NCc1ccc(cc1)C(=C)N2N=C(c3ccc(CN)cc3)CC2c(c4)ccc(c45)CCC5 -MOL_01_020984,c1ccccc1C(=N)c(c2)ccc(c23)nc(-c4ccno4)c(n3)-c5ccno5 -MOL_01_020985,c1cccc(c12)C(CN)CCN(CC(=N)N2C)C(=N)CC(C)(C)C -MOL_01_020986,NC(N)N(CC1)C(=C)c(n12)cc(n2)-c3ccccc3 -MOL_01_020987,NCCCCNC(=C)c1c(C)c(n(C)c1C)C(=C)CCC -MOL_01_020988,Cc1occc1-c2nnc(n2C)CCC(O)NC3(CN)CCCC3 -MOL_01_020989,NCc(c1)c(CN)cc(c12)C(=C)C(C2)CC3CCN(CC3)Cc4ccc(C)c(c45)nccc5 -MOL_01_020990,Cc1ccnc(c12)c(cc(c2)CN)NCCCC(C)N -MOL_01_020991,c1cccc(c12)CC(NC2)C(=C)NC(c3ccccc3)C(=C)Nc4cccc(c4)CN -MOL_01_020992,CCC(N)c1cnc(C)n1C(CC)c2cccc(c2)Cc3ccccc3 -MOL_01_020993,c1ccccc1C(=N)C2=C(C)NC(=N)NC2c3cccc(c3)Cc4ccccc4 -MOL_01_020994,CCCCn1ccc(c(CN)c1=N)-c2ccc(c(Cl)c2)Oc3ccnc(C)c3 -MOL_01_020995,CC(C)(C)c1ncc(cc1)-c2ncnc(C)c2/C=C/c3ccc(N)nc3 -MOL_01_020996,NCCc(cc(n1)C)c(c12)cc(C)c(c2)NC(N)c3cccc(c3)CN -MOL_01_020997,CCCCCc1ccc(cc1CN)-c2cc(C(=O)C)nc(n2)C -MOL_01_020998,NCc1ccc(cc1)C(=O)N(CC2)CCC23Nc4c(C(N)N3)c(F)ccc4 -MOL_01_020999,c1cccc(c12)C(=N)N(CC2)CCCCN3CCN(CC3)c4ccccc4CN -MOL_01_021000,CNc1ccc(cc1NC)CC2CCCCN2C(N)c3cc(C)ccc3-n4nccn4 -MOL_01_021001,c1ccnc(c12)c(cc(C)c2C)NC(C)CCCN -MOL_01_021002,CNc(c1)ccc(c12)cc(c(n2)N)-c3ccc(Cl)nn3 -MOL_01_021003,c1ccccc1CCC(=O)CCC2CC(=O)NC2CN3CCN(CC3)c4ccccc4 -MOL_01_021004,CNc1ccc(c(c1)NC)C(N)(C2N)CNc(c23)cc(N)cc3 -MOL_01_021005,CC(C)CCCCNC(=O)c1cc(CC)c(cc1)CC2CCN(C(=O)C)CC2 -MOL_01_021006,CNc1cc(C(N)N)ccc1Cn2ccc(c23)ccc(c3)NCCC4CCCC4 -MOL_01_021007,FC(F)(F)c1cc(ccc1)/C=C/c2nc(C)cn(c23)cc(c3)C(=N)N4CCCC4 -MOL_01_021008,NCc(c1)c(CN)cc(c12)CCN(C(=N)c(cc3Cl)ccc3)C2CCc4cccc(c4)CN -MOL_01_021009,Cc1cccc(c1)-c2c(CN)c(N)nc(c2CN)CCc3ccccc3 -MOL_01_021010,CC(C)C1CCC(=O)N1c2ccnc(n2)NC(C)C3CCCCC3 -MOL_01_021011,N=C(N)CCCCN1C(=N)C(CCC(=N)CC(C)(C)C)N=C(c(c12)cccc2)c3ccccc3 -MOL_01_021012,Cc1ccc(cc1)C(N)CC2(N)C(N)=Nc(c23)ccc(c3)N -MOL_01_021013,c1ccccc1-c(c2N)cnc(c23)cc4c(c3N)c(N)c(cn4)-c5ccccc5 -MOL_01_021014,c1ccccc1CC(C(=O)N(C)C)NC(=O)C(N=2)=CC(C23)=CC(Cl)=C3 -MOL_01_021015,C=C(C)Cc1c(c(C)cn1C)C(=C)Nc2cc(CN)ccc2CN -MOL_01_021016,c1cnnn1CC2CC(=C)N(C2)c3ccc(c(F)c3)-c(c4)ccn(c45)ccn5 -MOL_01_021017,CNc1cccc(c1)-c2cc(ccc2NC)C(N)Nc(n3)cc(N)c(c34)cc(cc4)NC(C)N -MOL_01_021018,CCCC(O)c(c1O)cnc(c12)c3c(cc2)nn(n3)C -MOL_01_021019,c1cccc2c1C(c(c23)cccc3)(c4ccc(cc4)NN)NCCCn5ccnc5CCC(N)N -MOL_01_021020,CCC(CC)NC(=N)c1nn(c(=N)c(c12)cccc2)Cc3ccccc3 -MOL_01_021021,CCOc1ccccc1CNC(O)c(n2)cc(n23)C(O)N(CCC3)Cc4ccc(C)cc4 -MOL_01_021022,c1cccc(c12)c(c(C)n2C)NNC(O)CNC(O)c3ccc(CN)c(c3)CN -MOL_01_021023,CCCC(N)c1c(C)nc(C)c(C(N)CCC)c1-c2cccc(N)c2 -MOL_01_021024,Cc1ccc(cc1)C(O)C2CCN(CC2)CC(O)NCc(n3)nc(O)c(c34)CCCC4 -MOL_01_021025,NCc1cccc(CN)c1C2CCC(N)N2Cc(n3)ccc(c34)cccc4 -MOL_01_021026,CCCC(=O)Nc(nc1N)cc(c12)CCC(=N2)c3cccc(c3)CN -MOL_01_021027,Cc(c1)cc(CN)c(c12)c(CN)ccc2-c(c3N)ccc(c34)cc(C)nc4C -MOL_01_021028,CC(C)CC1CCC(=O)Nc(c12)n(nc2)-c3ccc(CN)cc3 -MOL_01_021029,c1ccc(CN)c(c12)CCC(=N)N2CCCN3CCN(CC3)c4cccc(F)c4 -MOL_01_021030,c1ccoc1C(=O)Cn(c2)ccc(c23)c4c(n3)cccc4 -MOL_01_021031,CCCCCCc(c1)cc(N)c(c12)c(C)cc(n2)N -MOL_01_021032,CCCNc1c(C)nc(nc1NC)-c2c(C)cc(C)cc2NC -MOL_01_021033,CC1(C)C(=O)N=c(c12)cc3c(c2)=NC(=N3)CCc4cccnc4 -MOL_01_021034,CC(C)(C)c1ccc(cc1)-c2ccc(C)c(n2)CNC3(CN)CCCC3 -MOL_01_021035,CC(N)Nc1ccccc1CCc(n2)nc(N)c(c23)cccc3 -MOL_01_021036,c1cncnc1C2=CC(=C)N(C)C(=N2)CCC3(CCCC3)c4ccccc4 -MOL_01_021037,c1ccccc1C(C)c(n2)cn(c23)c4c(c(c3)CN)cccc4 -MOL_01_021038,Cc1cnc(cn1)C(=O)Nc2cccc(c2)C3(C(C)C)CCCC(=N3)N -MOL_01_021039,CNc1ccc(N)c(c12)C(C)(C)CCC2N -MOL_01_021040,c1cccc(c12)CCN(C2)C(CN3CCCCC3)C(=C)Cc4c(CN)cccc4CN -MOL_01_021041,c1cccnc1CC(C2(F)F)CN(CC2)C(=C)c3ccccc3-n4nccn4 -MOL_01_021042,COc1ccccc1CNC(=O)C(C=C2)N(C23C)C(=O)CC3 -MOL_01_021043,CC1CN(CC(C1)C)C(=C)c2ccccc2-c3ccc(c(F)c3)-c4cnc(N)nc4 -MOL_01_021044,Cc1cc(nc(n1)N)-c2ccc(c(c2)CN)CCC(C)C -MOL_01_021045,NCc1ccccc1N(C(=C)c(c23)cccc3)C(N2)c4ccc(C)c(c4)CN -MOL_01_021046,CN(C1)C\C=C\CCCc(ncc2)cc2c(ccn3)nc3Nc(cc14)ccc4 -MOL_01_021047,C1CCCN1C(=O)CCc(n2)c(C)cc(c23)cc4c(c3)OCCO4 -MOL_01_021048,NCc1ccc(cc1)NC(C)Cc2cccc(c23)cccn3 -MOL_01_021049,CCc(c1)ccc(c12)nccc2C(C)CN3CCC(CC3)NCCCc4ccccc4CN -MOL_01_021050,Cc1ccc(cc1C)-n2c(C)nnc2CCC(=O)N(C3)CCc(c34)cccc4 -MOL_01_021051,NCC(C1)Cc(c12)c(ccc2C)-c3ncccc3CN -MOL_01_021052,c1cccc(c12)N(C(=N)C2=N)CN3CCN(CC3)Cc4cccc(c4)CN -MOL_01_021053,Nc1ncc(cn1)/C=C/c2ccc(OC)c(c2)C(O)Nc3cc(C(F)(F)F)ccc3N4CCCCC4 -MOL_01_021054,O1CCOC1(C)C(CC2O)Cc(c23)c(O)ccc3O -MOL_01_021055,CCOC(=O)Nc(nc1N)cc(c12)CCC(=N2)c3ccc(ON)cc3 -MOL_01_021056,C=C1N(C)CCC1C(=C)c2cncc(c2)-c3ccccc3CN -MOL_01_021057,Cc1ccc(cc1)-n2ncc(c23)C(C(N)N)CCC(=N3)N -MOL_01_021058,Cc1cc(C)c(cc1C)CC(N)CC(=O)N2CCCNC(=O)C2N -MOL_01_021059,Fc1ccc(c(F)c1F)NCc2cc(NCC3CNC3)nc(n2)-c4ccccn4 -MOL_01_021060,c1ccccc1C2=C(Cl)C(O)N(C2O)c3ccc(Cl)c(Cl)c3 -MOL_01_021061,CN(C1)CCc(c12)c(ccc2)NC(N)c3cc(Cl)c(N)cc3CN -MOL_01_021062,Cc1ccc(cc1)-c2c(C(N)NC3)c3c(N)c(c24)cc5c(c4)NCN5 -MOL_01_021063,c1cccc(c12)c(cc(n2)C)C(=O)CCC(=O)NC3CCCC3 -MOL_01_021064,NC1CCNC(N)c(c12)n(cc2)Cc3ccc(cc3)-c4ccccc4 -MOL_01_021065,C1CC(=O)CCC12OC(=O)C(c3ccc(C(=O)O)cc3)C2c4ccccc4 -MOL_01_021066,NC1CCNc(c12)c(cc(F)c2)NCCNCCCCc3ccc(Cl)cc3 -MOL_01_021067,Clc(c1)ccc(c12)CC(N)CN2C(C)NCc3ccccc3 -MOL_01_021068,Cc1cccc(n1)NC(=O)c2cccc(c2=3)=CC(N3)=O -MOL_01_021069,CCc1ccc(cc1)NC(=N)CN(C)C(=N)Cc(c2C)c(C)nc(c23)cccc3 -MOL_01_021070,CCOc(oc1O)nc(c12)ccc2C(C)C -MOL_01_021071,C1CC1NC(=C)CCc2nnc(n2C)-c3cccc(c3)CCC -MOL_01_021072,CCNC(N)CCN1CCN(CC1)CCCNC(c2ccccc2)c3ccccc3 -MOL_01_021073,NOc1cccc(c1)C(=O)NC(C=2)=Nc(c23)ccc4c3=CC(=N4)N5CCOCC5 -MOL_01_021074,c1cccnc1N2CCN(CC2)CCCCCNC(CC3)=Nc(c34)cccc4 -MOL_01_021075,CCc(c1)ccc(c12)n3c(cc2CN)nc(c3)C(N)c4ccccc4 -MOL_01_021076,ClC(Cl)c(n1)nc(O)c(c12)c(cc(o2)=O)CCCC3(Cl)CC3 -MOL_01_021077,C=C(C)N1CC(CC1)CC(=C)Nc2ccc(C)c(c2)C(=C)N(CC3)CCC3(F)c4ccc(CN)cc4 -MOL_01_021078,NCc1ccccc1Cc2ncnc(c23)n(nc3)-c4ccccc4 -MOL_01_021079,NCc1ccc(cc1)Cc2c(Cl)cnn(c2=O)CC(=O)c3ccc(Cl)cc3Cl -MOL_01_021080,n1cnc(n12)nc(N)cc2C(CN)c3ccccc3 -MOL_01_021081,Cc1ccc(cc1)C(=O)NCC(=O)CCCCc2cccc(Cl)c2 -MOL_01_021082,NCC(=C)c(c1)ccc(c12)N(CC(N2)=C)C(=C)c3cc(CN)c(CN)c(c3)CN -MOL_01_021083,Cc1ccc(cc1F)-n2cc(cc2C(N)C(F)F)C(N)c3ccccc3 -MOL_01_021084,Nc(n1)ccc(c12)ccc(c2C)C(Nc3ccccn3)c4ccc(F)cc4 -MOL_01_021085,Cc1ccc(cc1)C(C2N)=Nc(c23)c(N)ncn3 -MOL_01_021086,CCCOc1ccccc1C(N=2)=NC(=O)C(C23)=NN=N3 -MOL_01_021087,c12cccc(C=C1)c2C(C)c3cc(N)nc(n3)Nc4ccc(CN)cc4 -MOL_01_021088,CC(=O)NCC1CC(=O)N(C1)c(c2)ccc(c23)CNCCC3 -MOL_01_021089,c1ccccc1CNC(=N)C(C2)Cc(c23)nccc3-c4cccc(F)c4 -MOL_01_021090,CC1CCN(CC1)c2ccnc(n2)-c3cccc(c34)CC(C4)CN -MOL_01_021091,NC(N)c1ccc(F)cc1-c(c2)ccc(c23)C(N)C(CN3)CCc4ccccc4 -MOL_01_021092,CN1CCC(CC1)C(=O)Nc2nccc(n2)/C(CN)=C3\CC=C(N3)C(C)(C)C -MOL_01_021093,NCc1c(N)cc(N)nc1N(C(=O)N)c2ccccc2 -MOL_01_021094,Cc1ccc(cc1)/C=C/c(n2)ccc(c23)C(N)N(CC3)C4CCCCC4 -MOL_01_021095,CCc1ccc(cc1)NC(C2N)=C(C(N)c(c23)cccc3)N4CCCCC4 -MOL_01_021096,c1cccc(c12)c(C)ccc2N(CC3CC3)c4cc(NC)c(cc4)C(=N)C5CC5C(=N)N -MOL_01_021097,CN(C)CCCNc1nc(c2c(cc3)nccc2)c3c(c14)cc5c(c4)CNC5 -MOL_01_021098,Cc1cccc(c1)NC(=N)Cn2nc(ccc2=N)-c3ccc(CN)c(c3)CN -MOL_01_021099,Cn1ncc(c12)C(CC(=N2)O)c3ccc(cc3)C(O)CN -MOL_01_021100,C1CC1NC(=O)CCc2n(C)c(nn2)-c3cccc(c3)CCN -MOL_01_021101,Cc1cnccc1-c2cc(cnn2)-c3ccc(C)c(c3)-c4ncccc4C -MOL_01_021102,NCc1cc(cc(c1)CN)C(=C)Cc2c(cc(Cl)c(c23)cccn3)CN4CCCCC4 -MOL_01_021103,Cc1ccc(cc1)-c2nn(c(=N)c(c23)cccc3)CCC(=N)NCC4CCCC4 -MOL_01_021104,CNc1ccccc1N2CCN(CC2)CC(N)CCNC(N)c(c3)cnc(c34)ccc(F)c4 -MOL_01_021105,CNc1ccc(NC)c(c1)C2=C/C(C(N)N2)=C/c3ccccn3 -MOL_01_021106,c1cccc(c12)c(nnc2N)-c3ccc(cc3)CC(N)N4CCC(C4)c5ccccc5 -MOL_01_021107,N=C1CCC(C(=N)N1)N2C(=N)C(c3ccccc3)=C(C2=N)c4ccccc4 -MOL_01_021108,C1CCCCCC1N(C(=C)C(C23)CCCC3)N=C2c4ccc(CN)c(c4)CN -MOL_01_021109,c1ccccc1NC(=C)c2nc(cnc2N)-c3ccc(cc3)C(=C)N(C)C -MOL_01_021110,CNc1ccc(Cl)cc1C(=O)CCC(=O)NCc2ccc(Cl)cc2Cl -MOL_01_021111,CCCCN1CCC(CC1)CCC(N)c2cc(Cl)nc(c23)cccc3 -MOL_01_021112,Cc1cc(C)c(c(n1)O)CN(C2O)CCc(c23)ccc(c3)OC(C)C -MOL_01_021113,NCc(c1)ccc(c12)nccc2CCN3CCC(CC3)NCc(c4)ccc(c45)CCCC5 -MOL_01_021114,CCCCCCn1c(C)nc(C)c(c12)nc(n2)Cl -MOL_01_021115,NCc1ccc(cc1)C(=O)N(C2)CCc(c23)c(cnc3)NCNC4CC4 -MOL_01_021116,NCc1cccc(n1)-c2ccc(c(C(F)(F)F)c2)CCCN3CCCC3O -MOL_01_021117,CNc(c1)ccc(c12)c3c(nc2N)cc(cc3)NCC(N)NC4CCCCC4 -MOL_01_021118,CCNC(=O)NC(=O)C(C)CC(=O)c1c(C)nn(c1Cl)Cc2ccccc2 -MOL_01_021119,Cc1ccc(c(c1)C(O)O)NC(=O)c2ccc(nc2)Oc3ccc(C(C)(C)C)cc3 -MOL_01_021120,Clc(n1)nc(c12)n(c(C)nc2C)CCC(C)C -MOL_01_021121,CN(C)CCNc1nccc(c12)c3c(cc2)c4c(cn3)cc5c(c4)CCC5 -MOL_01_021122,c1cccc(c12)cccc2-n(c3)c(N)c(c34)cccn4 -MOL_01_021123,CNc(c1)cc(NC)c(c12)CC(NC)C(N2)c3ccc(NC)c(c3)NC -MOL_01_021124,NCC(=O)C1=C(C)N(C)C(C)=NC1c2ccc(Cl)cc2 -MOL_01_021125,C1COCCN1C(=O)CCc2n(CC=C)c(nn2)C(C)NC(=O)c3ccccc3 -MOL_01_021126,Nc1cnn(c12)c3c(nn2)ccc(c3)CC(N)c4ccccc4 -MOL_01_021127,c1cccc(c12)CCN(C2)CC(C)CNC(=O)CCc3ccccc3-c4nccn4C -MOL_01_021128,c1nccnc1C(=C)Nc2cc(CCC)c(-n3cnnn3)cc2CCC -MOL_01_021129,N1CCN(C=12)C=NC(=C2C(=O)CCN)Nc3cccc(N)c3 -MOL_01_021130,CNc1ccc(cn1)-n2c(C)nnc2N3CC(C3)Nc4ccccc4 -MOL_01_021131,COc1c(OC)c(OC)cc(c12)C(N)CC2O -MOL_01_021132,NCc1cccc(c1)-c2cc(cnc2Cl)CC3CCNC3 -MOL_01_021133,CCc1ncc(cc1Cl)C(=N)NC(CC(C)=N)c2ccc(cc2)-c3ccccc3 -MOL_01_021134,CNc1cc(ccc1C)C2=C(C(O)NC2O)c3ccccc3 -MOL_01_021135,CCCN(CCC)c1c(CN)nc(nc1CC(C)(C)C)-c2c(C)cc(C)cc2CN -MOL_01_021136,CC(=O)c1ccc(cc1)-c2cc(nn2C)Nc3cc(C)ccc3CN -MOL_01_021137,CCC(CC)CCc1ccc(cc1CN)-c2cc(C)nc(n2)N -MOL_01_021138,Cc1cccnc1NC(=O)c2cccc(c2)NC(=O)CC3CC(NC3=O)N4CCCCC4 -MOL_01_021139,c1ccccc1C2=C(CC(C)=N)C(NC(=N2)C)c3ccc(CN)cc3 -MOL_01_021140,c1ccnc(c12)CCC2C(=N)NCc3c(Cl)cc(Cl)cc3C4CC4 -MOL_01_021141,CC(C)CC(=N)c1cccnc1N2CCN(CC2)c3cccc(Cl)c3 -MOL_01_021142,c1cccc(c12)cccc2C3C(CN)=C(N)CC(=C34)CC(CC4=N)c5ccccc5 -MOL_01_021143,c1ccccc1-c2nc(ccc2)C(N)Nc3ccccc3C(N)N4CCCCC4 -MOL_01_021144,Fc1ccc(cc1)Cc2ccc(cc2)-c3cc(C(C)N)cc(n3)C(N)NCCN4CCCCC4 -MOL_01_021145,CC(C)CC(C(=O)C)NC(=O)c(c1C)nc(Cl)c(c12)cccc2 -MOL_01_021146,c1ccn(c12)cc(N)nc2NC(=NC3)CC34C5CCN(C4)CC5 -MOL_01_021147,NC1NCCN1CCNCc2cccc(n2)-c3ccc(cc3)Nc4ncc(C(F)(F)F)cc4Cl -MOL_01_021148,O=C1CC(C)(C)c(c12)ccnc2NCC(C)CCc3ccc(F)cc3 -MOL_01_021149,c1ccccc1N(C)C2=CC(O)C(O)c(c23)cccc3 -MOL_01_021150,CC(C)NC(N)CCN1CCC(CC1)C(N)c2cc(F)ccc2F -MOL_01_021151,CC(C)CC(C(=O)N)NC(=O)c1ccc(NC2CC2)c(n1)CCC3CC3 -MOL_01_021152,CNc1ccc(nc1)-n2cnc(c23)c(O)nc(n3)O -MOL_01_021153,Fc1cc(ccc1)/C=C/c2nc(C)cn(c23)cc(c3)C(=N)N4CCCCC4 -MOL_01_021154,CCCOc1ccccc1C2CC(=O)N=C(C)C2C(=O)OCC(C)C -MOL_01_021155,COc1cc(ccc1O)C2CC(=C(CN)C(=O)N2)Nc3cccc(C)c3 -MOL_01_021156,C1CCC1(C(C)N)Nc2cc(C(C)N)nc(n2)-c3ccc(cc3)Cc4ccc(F)cc4 -MOL_01_021157,c1nc(C)cc(c12)c(ccc2)NC(N)NC3CC(C)(C)Cc(c34)cc(F)cc4 -MOL_01_021158,CCc1c(C)nc(C)nc1C(C)NCCN2CCN(CC2)c3cccc(C)c3C -MOL_01_021159,c1cccc(c12)c(NN)c(C)n2CC(O)Nc3ccccc3 -MOL_01_021160,Cc1cccc(c1)-n2ncnc2-c3cc(CN)c(CN)c(c3)CN -MOL_01_021161,Cn1cccc1CNC(C(C)(C)C)C(=N)N(C2)CCc(c23)cc(CN)c(c3)CN -MOL_01_021162,Cc1ccc(cc1)CNC(O)c(c2O)nn(c23)CCCN(C)C3O -MOL_01_021163,CCc1cc(C(=O)C)c(C)cc1NC(=O)NC(=O)c2ccc(F)cc2Cl -MOL_01_021164,COc1ccc(cc1)Nc2nccc(n2)NC3=C(C(O)=C3O)NC(C)C(C)(C)C -MOL_01_021165,CC1CCCCC1CNC(=C)c2cccc(c2)-n(n3)nc(c34)nc(N)nc4C -MOL_01_021166,CC1(C)NCC(N)Nc(c12)ccc(c2)-c3cccc(F)c3F -MOL_01_021167,Cc1cccc(c12)cc(CC)c(n2)CCC(=O)c3ccc(cc3)NC(=O)C -MOL_01_021168,NNc(c1)nc(n12)CCC(C2)CC(C)c3ccc(cc3)-c4ccc(F)cc4 -MOL_01_021169,c1cccc(c12)c(cc(c2)C(O)O)CCn3cnc(c34)C(O)C=NC=N4 -MOL_01_021170,c1ccccc1/C(c(c23)cccc3)=C(\C(N)CC)/C=C\N(C2N)C4CCCCC4 -MOL_01_021171,c1ccccc1N(C(=N)CC)C2(CCN)CCN(CC2)CCN3C(=N)Cc(c34)cccc4 -MOL_01_021172,Cc1ccc(cc1)-c2nc(nc(O)c2CN)CCc3cccc(F)c3F -MOL_01_021173,c1cc(N)ccc1C2(c(cc3)ccc3N)C(=N)Nc(c24)c(N)c(Cl)cc4 -MOL_01_021174,CCc1nc(N)nc(N)c1/C=C/Cc2cc(ccc2ON)-c3ccncc3 -MOL_01_021175,Cc1cc(=N)n2c(C)cc(c2c13)c(cc3)CCCCNCCN(C)C -MOL_01_021176,NCC1=C(C)NC(C)=C(C(N)CC(C)(C)C)C1(C)c2ccc(F)cc2 -MOL_01_021177,Cc1ccc(cc1)NC(N)CN(C)C(N)CCc2cccc(c23)cccn3 -MOL_01_021178,Cc1cc(CN)cc(C)c1Cc2cc(Nc3ccc(CN)cc3)nc(n2)Nc4cccc(c4)CN -MOL_01_021179,CC(C)(C)C(N)Cc1ccc(CN)cc1NC(N)C2(C)CCCCC2 -MOL_01_021180,CC(C)OC(=O)CCc(n1)c(C)cc(c12)cc3c(c2)OCCO3 -MOL_01_021181,NCc1cnc(cn1)Nc2ncc(C(C)CC)c(c2)NCC3CCNCC3 -MOL_01_021182,FC1CC(CC1)NCc2nc(N)n(c2C(N)N)-c3cc(F)cc(F)c3 -MOL_01_021183,c1ccccc1C2(c3ccccc3)CC(N)N(C2N)CN4CCN(CC4)c5cccc(C(F)(F)F)c5 -MOL_01_021184,c1cccc(c12)n(CC)c3c2cc(cc3)NC(=N)COC(=N)c4cc(F)c(N)cc4OC -MOL_01_021185,CCCCNC(=C)Cn1c(nc(c12)ccnc2)CCc3cccc(C)c3 -MOL_01_021186,NCc1ccc(cc1CN)C(=C)N(CCCC)Cc(c(n2)C)cc(c23)c(N)ccc3N -MOL_01_021187,NCc1cc(ccc1C)C2NC(=N)NC(C)=C2C(=N)CCc3ccccc3 -MOL_01_021188,Clc1ccc(cc1)C(=O)CCCNC(=O)c2cccnc2 -MOL_01_021189,NC(N)CC1CCC(=O)N1c2ccnc(n2)NC(N)c3ccccc3 -MOL_01_021190,CNc(c1)ccc(c12)Cc3c(cccn3)C2N(C)C(O)NC -MOL_01_021191,O1CCOc(c12)ccc(c2)NC(=O)CCC(=N3)C(c4ccccc4)=NC35CCCCCC5 -MOL_01_021192,c1cccc(C(N)C2)c1C23CCN(CC3)C(N)Nc4ccn(n4)-c5ccccc5 -MOL_01_021193,n1cnc(n12)nc(N)c(CN)c2NCCc3ccccc3 -MOL_01_021194,O=C(C)c1ccc(C)c(c12)nc(cc2)C(=O)NCCCN3CCCCC3 -MOL_01_021195,NCc1ccc(nc1)Nc2ccc(CN)c(c2)N3CCCC3=O -MOL_01_021196,NCc1c(Cl)cc(cc1)N2CC=C(C2=N)c3ccc(CN)c(c3)CCCN4CCCCC4 -MOL_01_021197,Cc1ccccc1CCC(=O)Nc2ccc(F)c(c2)C3(C)CC=CC(=N3)N -MOL_01_021198,CC(C)(C)NC(=N)C1CCN(CC1)Cc2cccc(c2)NC(=N)C3CCc(c34)cccc4 -MOL_01_021199,Cc1ccc(cc1)NC(C2)=NN=Cc(c23)cc4c(n3)c(C)ccc4 -MOL_01_021200,OCC(N)c1ccc(cc1)-c2ccc(cc2)CCc3nnc(CC4CCCC4)n3-c5cccnc5 -MOL_01_021201,Nc1ccnc(c12)c(cc(c2)CN)NCCCCCCCN(CN)CN -MOL_01_021202,c1ccccc1C2(c3ccccc3)NC(=N)N(C2=N)CCCCN4CCN(CC4)c5ccccc5 -MOL_01_021203,Cc(c1)ccc(c12)c(NC(C)C)nc3c2c(O)ncc3 -MOL_01_021204,CCc1ccc(C)c(c1)C(=O)c2cc(CN)c(=O)n(c2)CCN3CCCCC3 -MOL_01_021205,NCc(c1)c(CN)cc(c12)C(=N)N(CC2)C3CCCN(C3)CCCCc4ccc(C(F)(F)F)cc4 -MOL_01_021206,NCc1ccc(cc1CN)CCCCCCNC2CCCc(c23)nc(N)cc3 -MOL_01_021207,c1ccnc(c12)CCCC2NC(O)Cc3cccnc3Cl -MOL_01_021208,CCCc1cc(ccn1)N2CCC(C2)Cc3ccc(cc3)C(C)NC(C)=N -MOL_01_021209,CCNC(N)c1c(N)ncc(c1NC)-c2ccccc2 -MOL_01_021210,NNc1cccc(c1)C(N)N2CCC(CC2)C(N)c3ccc(F)cc3 -MOL_01_021211,N=C(N)CCCCN1C(=N)C(C(C)CC)N=C(c(c12)cccc2)c3ccccc3 -MOL_01_021212,Clc1ncc(cc1Cl)C(=O)CCC(=O)N2CCN(CC2)c3ccccc3 -MOL_01_021213,c1ccnc(c12)CCC2C(=C)NC3(C(=C)N)CCCC3 -MOL_01_021214,O=C(O)C(C)CCC1CCN(CC1)Cc(c2)ccc(c23)Cc4c(N3)nccn4 -MOL_01_021215,C1CCCCN1c2ccc(C)c(c2)N3CCN(C(N)C3N)Cc4ccc(F)cc4Cl -MOL_01_021216,Nc1ccccc1C2=NN(C(C)N)C(C2)c3ccc(N)c(N)c3 -MOL_01_021217,C=C(C)c1cc(nc(n1)C)-c2ccc(c(N)c2)CCC(C)C -MOL_01_021218,NCCC(=O)Nc1ccc(cc1)C(=O)CCC(=O)NCc(c2)ccc(c23)CCC3 -MOL_01_021219,Cc(n1)cc(C)c(c12)c(O)nc(n2)-c3ccccc3C -MOL_01_021220,NCc(c1)c(CN)cc(c12)C(CC(N2)C)c3ccc(CN)cc3 -MOL_01_021221,N1=NCCc(c12)c(ccc2CN)-c3ccc(CN)c(c34)cccc4 -MOL_01_021222,CC(=O)c1cn(C(=O)C)c(C)c1Nc2ccc(N)cc2C -MOL_01_021223,N=C(N)c1ccc(nc1)Cc2ccc(cc2)CN3CCCC3c4cccnc4 -MOL_01_021224,Nc1ccccc1Nc(c2)ccc(c23)C(=O)Nc4c(C3)cccc4 -MOL_01_021225,Cn1cnnc1CCC(=O)NC2CC(=O)N(C2)CCc3cccc(Cl)c3 -MOL_01_021226,CC(=O)C(C)NC(=O)C(N)CC(=O)CCc1ccccc1 -MOL_01_021227,c1cccnc1C2C(C)N(C(=O)C2)C(=O)NCCc3cccc(c34)cccc4 -MOL_01_021228,COc1cc(cc(OC)c1O)/C=C2\CC(Nc3ccccc3)N(C2=O)c4ccccc4 -MOL_01_021229,N1=NC(C)=C(C1=2)C(CCC(N2)=N)c3ccc(N)cc3 -MOL_01_021230,CCNc1cc(ccc1N)/C=C/c(n2)cc(C(N)N)c(c23)cccc3 -MOL_01_021231,c1cccc(c12)nc(C)n2CCNC(=O)CCc(c(Cl)c3)cc(c34)CCC4 -MOL_01_021232,NCc1ccc(nc1)NCCCN(C(O)CC2)c(c23)cccc3 -MOL_01_021233,Cc1ncc(cc1)CC2(C(=O)C)CCN(CC2)C(=O)c3cccc(F)c3 -MOL_01_021234,Cc1ccc(cc1)CNC(=N)C2CCN(CC2)c(c(=N)n3C)nc(c34)cccc4 -MOL_01_021235,Cc1nc(C)c(CN)c(n1)-c2ccccc2Cl -MOL_01_021236,CCNC(O)Nc1cc(Nc2cccc(C)c2)c(cn1)C(O)Nc3cccc(C)c3 -MOL_01_021237,c1ccccc1CC(=N)NC2CCN(CC2)CCCN3C(=N)CCc(c34)cccc4F -MOL_01_021238,Cc1c(C)c(N)nc(c12)cc(cc2)NCc3cccc(c3)NC(C)N -MOL_01_021239,CCCC(O)C1CCN(CC1)c2cc(nc(n2)C)C(O)N3CCCCC3 -MOL_01_021240,CCc1ccccc1C(=O)CCC(=O)c2cc(C)nc(c23)cccc3 -MOL_01_021241,NCc1cc(N)c(Cl)cc1C(=O)NCC2CCN(C23)CCC3 -MOL_01_021242,CCOC(=O)c1cc(CN)c(nc1C)CCC(=O)c2cc(CN)c(CC)nc2C -MOL_01_021243,CCOc1ccc(cc1)-n2c(CCC(=O)OC)nnc2Cc3cc(O)nc(n3)O -MOL_01_021244,Clc1ccccc1Cn2nc(N)c(c2N)C(=O)NC3=NCC=C3 -MOL_01_021245,COc1ccc(OC)c(c1)NC(=O)CC2CC(Nc3ccc(F)cc3)N(C2=O)CCC4=CCCCC4 -MOL_01_021246,CCOC(O)C1CCN(CC1)C(O)c2cc(C)ccc2-n3cnnn3 -MOL_01_021247,c1cccc(n12)nc(=O)c(c2C)C(=O)NC3CCCCC3C -MOL_01_021248,CC(C)(C)c1cnc(c(Cl)c1)-n2cccc2C(O)NCCN -MOL_01_021249,CCOC1(C)OCC(=C12)N(O)c3c(N2O)cccc3 -MOL_01_021250,NCC(O)C(C)n(c1O)nnc(c12)cc(c2)-c3ccccc3 -MOL_01_021251,C1CC1CCCC2CN(Cc(c23)nnn3C)C(O)C4CCCC4 -MOL_01_021252,CC1(C)CCNc(c12)ccc(c2)C(=N)Nc3ccc(C(=N)N)cc3 -MOL_01_021253,c1ccccc1C(=N)N(c2c(CCC)c(N)c(cc2)C(C)=N)Cc3ccc(C(=N)N)cc3NC -MOL_01_021254,NCc1cncc(c1)-c2cncc(n2)-c3ccc(cc3)Cc4ccccc4 -MOL_01_021255,CN1CCNC(=O)C12CCN(CC2)C(=O)c(c3)ccc(c3=4)=NC(N4)=O -MOL_01_021256,CC(=O)C(C(C)C)NC(=O)c(c1C)nc(Cl)c(c12)cccc2 -MOL_01_021257,CC(C)N(C1=N)CCc(c12)nc(cc2)/C=C/c3cccc(c3)CN -MOL_01_021258,CN1C(=O)CCC(C1CC)c2ccc(cc2)NC(=O)c3ccccc3C -MOL_01_021259,NNNc1ccc(c(O)c1)C(=O)N(C2)CCCc(c23)ccc(c3)ON -MOL_01_021260,COc1ccc(OC)c(c1)C(OC)CCc2c(C)nc(N)nc2N -MOL_01_021261,NC(N)CCc1cc(F)c(c(F)c1)NCc2c(C(F)(F)F)ccn2-c3ccc(F)c(F)c3 -MOL_01_021262,N=C(N)CCc1cccc(c12)ccc(n2)Cc3cncc(c34)cc(CN)c(c4)CN -MOL_01_021263,c1cccc(c12)c(cc(n2)C)C(=O)CCC(=O)NC3CC3 -MOL_01_021264,NC12C3C4C1C5C2C3C45C(N)N(c6ccccn6)CCN7CCN(CC7)c8ccccc8O -MOL_01_021265,CCc1c(CC)ccc(c12)C(CC2O)Nc3ncccc3C -MOL_01_021266,CCN(CC)C(=C)C1CCCN1C(=C)c2cccc(c2)-n3cnnn3 -MOL_01_021267,CN(C)C1CN(CC1)C(NO)c2ccc(C)nc2OCc3cccc(F)c3 -MOL_01_021268,NCc1ccc(cc1)Nc2ncc(CN)c(n2)Cc3cccc(c34)CCC4=O -MOL_01_021269,Cc1ccc(Cl)cc1NC(=C)c2cc(CN)c(CN)cc2-n3cnnn3 -MOL_01_021270,c1ccccc1C(=C)c2c(N)nc(n23)c(N)ccc3 -MOL_01_021271,c1ncnn1CC(C)(c2c(C)cc(C)cc2)CN3CCC(CC3)n4cc(nn4)C5CC5 -MOL_01_021272,COc1ccc(C(=O)C)cc1CN2C(=O)C(C)ONC2c3cccc(C(F)(F)F)c3 -MOL_01_021273,CCC(O)c(c1C)c(O)nc(c12)cc(cn2)Cc3ccccc3 -MOL_01_021274,CCc1ccc(n(c12)ncn2)C(C)Cc3c(C)cncc3C -MOL_01_021275,N1CCN(C=12)C=NC(=C2C(O)CCC)Nc3ccccc3 -MOL_01_021276,CN(C)c(c1)ccc(c12)n(C)c(N)c2CN -MOL_01_021277,Cc(c1)ccc(c12)nc(NC)c(c2)Cc3c(N)nc(C)c(c34)cc(CN)c(c4)CN -MOL_01_021278,CCCCc1ccc(cc1)CCC(=O)NC2CNC2=O -MOL_01_021279,NCc1cc(cc(c1)CN)C(=C)NCC(=C)CCC(=C)N(C(C)(C)C(=C)N2)c(c23)cccc3 -MOL_01_021280,CCCc1ccn(c(=N)c1)C2=CC(C)(C)Cc(c23)ccc(c3)CN -MOL_01_021281,c1ccccc1N(C)C(=O)Cc2ccc(n2C)Nc3ccc(CN)cc3 -MOL_01_021282,c1ncccc1CNc(cn2)cc(C3)c2CC34C5CCN(C4)CC5 -MOL_01_021283,Cc1cc(C)c(cc1C)CC(N)CC(O)N2CCCN(CC2)c3cnccn3 -MOL_01_021284,CCC(C=1)=Nc(c12)ccc3c2=CC(=N3)NCc4cc(OC)c(OC)c(c4)OC -MOL_01_021285,Cc1cc(no1)NC(O)Cn(c2O)cnc(c23)ccc3 -MOL_01_021286,CNc(c1)c(NC)cc(c12)CCN(C2)CCc3ccc(cc3)NC(N)c4ccnc(c45)cccc5 -MOL_01_021287,c1ccccc1C(C(=N)N2)CC23CCN(CC3)C(=N)c4ccc(N)nc4 -MOL_01_021288,NCC(=C)CC(N(C(C)=C1)C(=C)CN)c(c12)cccc2 -MOL_01_021289,c1ccccc1CCN(C)C2CCN(CC2)C(=N)c(c(c3)CN)cc(c34)CCC(N4)=N -MOL_01_021290,CC(O)c(c1)cc(O)c(c12)cc3c(c2N)CC(C)(C)c4c3cccc4 -MOL_01_021291,CNc(c1)cc(NC)c(c12)C(N)C(\N2)=C\c3ccc(c(c3)NC)NCc4ccccc4 -MOL_01_021292,C=C(N=1)N=c(c12)ncnc2N3CCC(CC3)NC(=C)CC(C)(C)C -MOL_01_021293,CC(C)C1CCC(=O)N1c2ccnc(n2)NC(C)C(C)(C)C -MOL_01_021294,CCC1CCN(CC1)CCCC(=O)c2cc(CN)nc(c23)cccc3 -MOL_01_021295,CC(O)CNC(N=1)=Cc(c12)cc=3c(c2)N=C(C3)NCC(C)O -MOL_01_021296,CCCC(O)c(c1O)cnc(c12)c3n(cc2)cc(n3)C -MOL_01_021297,CCc1ccccc1N(CN2CCCC2N)C(N)c3c(F)cccc3Cl -MOL_01_021298,Fc1ccc(cc1)C(N)Cc2c(cc(Cl)c(c23)cccn3)CN4CCCCC4 -MOL_01_021299,N1=NC=c(c12)cc(N)c=3c2c4c(N3)cccc4 -MOL_01_021300,C1CCN(C12C)CCC2CNC(=O)c3cc(Cl)c(N)cc3CN -MOL_01_021301,CNc1ccc(cc1)N(C(=N)CCl)C(c2ccc(cc2)NC)C(=N)NC3CCCCC3 -MOL_01_021302,Cc(n1)cc(C)c(c12)c(C)c(C)n2CCN -MOL_01_021303,CNc1ccc(cc1)Cc(c2N)cnc(c23)cc(cc3N)NCCC(C)C -MOL_01_021304,N=C(N)CC(C)NC(C1CC1)c2ccc(CN)c(c2F)C(=N)c3ccc(F)cc3 -MOL_01_021305,NCc1ccc(cc1CN)Nc2nnc(n2-c3ccc(F)cc3)CCc4c(F)cccc4F -MOL_01_021306,NCc1nc(Cl)c(CN)c(n1)-c2cccc(c2)ON -MOL_01_021307,CCc1cccc(c12)c(nc(n2)N)C(C)NCc3cccc(n3)C -MOL_01_021308,CCc(c1)ccc(c12)cc3c(n2)c(c(N)c(c3)O)C(O)CC -MOL_01_021309,Cc(n1)cc(n12)ncc(c2O)NC(O)c3ccc(F)cc3 -MOL_01_021310,c1ccccc1CC2C(=C)N(C2c3ccc(C)cc3)c4cc(CN)c(CN)c(c4)CN -MOL_01_021311,N1CCN=C1NCc2ccccc2-c3ccncn3 -MOL_01_021312,CCCNC(N)c1cccc(c12)C(N)(C(F)(F)F)c3c2cccc3 -MOL_01_021313,OC1OCc(c12)ccc(c2C)Oc3cnc(cn3)C(=O)NC(CO)C4CC4 -MOL_01_021314,CCc1ccc(CC)c(c1)C(N)N2CCC(CC2)C(N)c3ccc(F)cc3 -MOL_01_021315,CNc(c1)c(NC)cc(c12)nncc2-c3ccc(CN)nc3 -MOL_01_021316,C1CCCCN1CCCc2cc(C)c(cc2)-c3ccc(nc3)CCc4ncccc4C(N)N -MOL_01_021317,c1cccc(c12)nc3n2ccc(C)c3C(N)Nc4ccccc4F -MOL_01_021318,CCc(n1)cc(n12)nc(cc2C)Cn3cnc(c34)cccc4 -MOL_01_021319,c1cccc(c12)cc(nc2)N3CCC(C3)Cc4nccnc4C5CCCCC5 -MOL_01_021320,NCc1cccc(c1)CN2CCC(CC2)C(N)(c3ccccc3)c4ccccc4 -MOL_01_021321,Cc1cccc(c1)Nc2ncnc(c23)Cc4c(CN3)cc(CN)c(c4)CN -MOL_01_021322,CN(C)CCNc1ccc(cc1)C2=C(c3ccccc3)CCNc(c24)cc(N)cc4 -MOL_01_021323,c1cc(C)ccc1C2C(C(=O)CCC)=C(N)Cc(c23)cc(C)cc3 -MOL_01_021324,c1cc(F)ccc1C2C(c(cc3N)cc(c3)N)C(=N)c(c24)cc(N)cc4N -MOL_01_021325,CCCCCc1ccc(cc1N)-c2cc(C(=O)C)nc(n2)C -MOL_01_021326,Cc1ncc(C(=O)CN)n1C(CC)c2cc(Cl)cc(Cl)c2 -MOL_01_021327,c1ccccc1/C=C2\N=C(CCC)N(C2O)c3ccc(OC)cc3 -MOL_01_021328,NCc(c1)c(CN)cc(c12)CCN(C2)C(=C)CC(CC3)=Cc(c34)cc(cc4)-c5ccc(CN)cc5 -MOL_01_021329,C1CCCC1C(=N)Nc2cc(ON)c(cc2Cl)C(=N)NC3CCN(C3)Cc4ccccc4 -MOL_01_021330,FC(F)(F)Cc1ccc(cc1)C(N)NC(C2)CCc(c23)cccc3-c4cccnc4 -MOL_01_021331,c1ccccc1-n2nc(C(N)CCC)cc2CC(N)c3ccccc3Cl -MOL_01_021332,Cc1ccc(cc1)NC(=O)C2CC(=O)NC(N2)N3CCc(c34)cccc4 -MOL_01_021333,Cc1ncc(C(=O)CN)n1C(CC)c2ccc(C)c(C)c2 -MOL_01_021334,NNc(c1)nc(n12)CC(C2)(C)CCc3ccc(cc3)-c4ccc(F)cc4 -MOL_01_021335,c1cccc(c12)CC(C(N)CCC)N(C2)Cc3ccc(C(F)(F)F)nc3 -MOL_01_021336,CCN(C(C)(C)C)C(=N)c1ccc(N(C2)CC2(F)F)c(n1)CCC3CC3 -MOL_01_021337,CC(C)c1ccc(cc1)-c2nnc(n2C)CCC(O)NC3CC3 -MOL_01_021338,Cc1cccc(c1)/C=C/c(n2)ccc(c23)C(=O)NCC3 -MOL_01_021339,CCCc(n(n1)CC)c(c12)ccc(c2)C(N)NCc3ccccc3CN -MOL_01_021340,Cc1ccc(c(F)c1F)Cc2ncccc2CNC(=O)C3CCC(=O)N3 -MOL_01_021341,CCc1nnc(c12)oc(O)c3c2cccc3 -MOL_01_021342,CCNc(c1)ccc(c12)ncc(C(N)NCC)c2NCc3ccccc3NC -MOL_01_021343,NCc1cc(ncn1)N(CC2)CCC23CC(C3)N4CCCCC4 -MOL_01_021344,NC(=O)CCNC(=O)c1ccccc1CC(=O)Nc2ccc(C(F)(F)F)cc2 -MOL_01_021345,C=Cc1ccc(cc1)NC(=N)C2(C)CCN2C(=N)C3(CC3)c4ccccc4 -MOL_01_021346,NCc(cc1)cc(c12)C(C(C)C(C2=O)(C)C)Cc3ccccn3 -MOL_01_021347,CCN(C1N)CCc(c12)cc(cc2)C(=C3)c(cccc4)c4CC35CCNCC5 -MOL_01_021348,c1cccc(c12)c(cc(n2)C)C(N)CCC(N)c(c3)ccc(c34)cccc4 -MOL_01_021349,CC(C)n1c(N)cc(c12)cc(cc2)NC(N)C3CCC(CC3)NC(N)c4ccccc4 -MOL_01_021350,Fc1cc(ccc1)CN(CC2(C)C)C(=N)C2Oc3ccc(CN)c(C(F)(F)F)c3 -MOL_01_021351,N1CNc2c1ccc(c3)c2c(c(c34)CNC4N)-c5cc(NC)c(cc5)NCc6ccccc6 -MOL_01_021352,C1CNCCN1CCCC(C)N2CCc3cc(CN)c(CN)c(c3c24)c5c(c4)cc(CN)c(c5)CN -MOL_01_021353,CCc1c(CC)cc(cc1CC)C2CC2C(=O)Nc3cccnc3 -MOL_01_021354,C1CNCCN1c2cc(NCC)c(cc2NCC)NC(=N)CN(C(=N)N3)C(=N)C34CCCCC4C -MOL_01_021355,Fc1cc(ccc1)C(F)(F)CN(CC2)C(=N)c(c23)cc4c(c3)C(=N)N5C(C4)CCC5 -MOL_01_021356,CCNC(N)c1ccccc1NC(N)c2c(noc2C)-c3ccccc3 -MOL_01_021357,CNc1ccccc1CCCCc(c2N)c(N)nc(c23)cccc3 -MOL_01_021358,NCCn1ncc(c1N)-c2ccnc(n2)NC(CC34)C(C3)CC4 -MOL_01_021359,CCCC(=O)NNc1c(C)n(c(c12)cccc2)Cc3ccccc3 -MOL_01_021360,CCOc1cccc(c1)-c2cc(CN)ccc2/C=C/C(N)c3cncn3Cc4ccc(CN)cc4 -MOL_01_021361,CN(C)CCn1c(O)cc(c12)ccc(c2)NC(O)C3CCCC3 -MOL_01_021362,Cc(c1)ccc(c12)nc(c(c2)CN)Nc3ccc(CN)cc3CN -MOL_01_021363,n1c(C)cc(C)c(c12)C=CC(=C)N2CCN -MOL_01_021364,NCc1cc(N)c(Cl)cc1C(=O)NCC(C2)CC(N23)CCCC3 -MOL_01_021365,Nc1nnc(n12)CN(CC2)Cc(c3)ccc(c34)CCCC4 -MOL_01_021366,NCc(c1)c(CN)cc(c12)cncc2Cc(c3)cnc(c34)ccc(c4)CCC(N)N -MOL_01_021367,CCCC(N)c1ccc(cc1)NC(N)c2c(C)nc(C)nc2NCc3ccccc3 -MOL_01_021368,C=C1NC(=C)NC1CC(=C)Nc2ccc(cc2)CCc3cc(C)nc(c34)cccc4 -MOL_01_021369,Cc1cccc(c12)ncn(c2=N)CC(=N)NCCc3ccc(Cl)cc3 -MOL_01_021370,Fc1ccc(cc1)CCN(C2)C(=N)c(c23)c(N)ccc3NCc4cc(N)ccc4N -MOL_01_021371,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)Cc3ccccc3NC(=O)C -MOL_01_021372,Nc1cnc(cn1)-c2ccc(Cl)c(c2)C(=N)NCC3(O)CCCCCC3 -MOL_01_021373,c1ccccc1C(C(=C)N)NC(=C)c2ccc(C3CC3)c(n2)CCC4CC4 -MOL_01_021374,CNc(c1)c(NC)cc(CNC2N)c1C23CCCC3 -MOL_01_021375,c1cccnc1C(N)C2(CC(C2)(C)N)c3ccc(cc3)NC(C)(C)C -MOL_01_021376,C1CCN=C1NC(=C)CCc2nnc(n2C)C(C)NC(=C)c3ccccc3C -MOL_01_021377,CCc1nc(N)nc(N)c1/C=C/C(C)c2cc(O)cc(c2)-c3ccncc3 -MOL_01_021378,NCc1c(CN)cc(cc1CN)-c2ncc(n23)cccc3 -MOL_01_021379,CN(C)C(N)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c34)CCC4 -MOL_01_021380,Clc1ncccc1NC(=C)CN(C(=C)N2)C(=C)C23CCCCC3C -MOL_01_021381,CC1=CC=C(C1=2)C(=O)C=C(N2)NC(=O)c3ccc(C)cc3Cl -MOL_01_021382,CCC(C)NC(=C)c1nc(cnc1N)-c2cccc(c2)CN -MOL_01_021383,c1ccccc1C(c(c23)cc(F)cc2)N(CC(N3)=N)C(=N)Cc4ccc(CN)cc4 -MOL_01_021384,Nc(c1)cc(N)c(c12)ncc(c2C)C(C)NCCN(C)C -MOL_01_021385,Cc1c(C(C)C)[n+]([O-])cn1C(=O)N(C)c2ccc(Cl)cc2 -MOL_01_021386,CCC(N)c1ccc(c(C)c1N)NCCCCNc2ccc(C(N)N)cc2C -MOL_01_021387,CC(C)NCCCNC1=NC(c2ccccc2)C(C(N)NC)=C(C)N1CCNC -MOL_01_021388,c1ccccc1Cn2ccc(c23)c(ncn3)CC4CCNCC4 -MOL_01_021389,c1cccc(C(N)C2)c1CC23CCN(CC3)C(N)c4ccc(Cl)cc4 -MOL_01_021390,C12CC3CC(C2)CC(C1)C3C(=N)N(C4)CC(=N)N(C45)CCc6c5cccc6 -MOL_01_021391,CCCC(O)C1CCN(CC1)C(O)c2cc(C)ccc2-n3cnnn3 -MOL_01_021392,NCCCCc(c1)ccc(c12)c3c(n2CN)c(N)ncc3 -MOL_01_021393,c1ccccc1C(=C2CC)c(c3Nc(c24)cccc4)ccc(c3)NCC(N)CN -MOL_01_021394,CCCCCCNC(=O)c(c1C)cnc(c12)cc(cc2)CC -MOL_01_021395,NOc1ccc(cc1)-c2nnc(n23)ccc(n3)CCC(=O)N4CCCC4 -MOL_01_021396,NCc(cc1)cc(c12)ccc(c2)C(C)Nc3nccc(n3)N(C4(C)C)C(=O)CC4 -MOL_01_021397,c1ccccc1CC2C(=C)N(C2c3ccc(N)cc3)c4cc(CN)c(CN)c(c4)CN -MOL_01_021398,Cc1cccc(c1)C(CC2(C)C(F)(F)F)=NN2C(=N)Cc3cccc(c3)CN -MOL_01_021399,Nc1ccccc1CN2CCN(CC2)C(CC3)CCC34c5c(C(C4)N)c6c(cc5)CCC6 -MOL_01_021400,CC(O)Cc(c1)ccn(c12)nc(C)c2Cc3c(C)nn(c34)ccc(c4)CC(C)O -MOL_01_021401,CC(C)(C)c1ccc(cc1)CC(=N)N(CC2)C2(C)C(=N)Nc(c3)cnc(c34)cccc4 -MOL_01_021402,OCC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(c3)CCC(F)F -MOL_01_021403,NCc1ccccc1N2C=C(C(=N)CCC)C(C(=C2)C(=N)CCC)c3ccc(F)c(F)c3 -MOL_01_021404,CC(O)Nc1cccc(c1)-c2cc(CN)ccc2CCCc3cncn3Cc4ccc(CN)cc4 -MOL_01_021405,c1cccc(c12)nc(cc2)N3CC(C3)Cc4nccnc4-c5ccncc5 -MOL_01_021406,c1ccccc1C2(C)N(N=C(C)C2)C(N)CCc3ccc(C)c(C)c3 -MOL_01_021407,CC(=O)Nc1ccc(cc1)CC2CCC(N2)C(=O)Nc(c3)ccc(c34)c5c(C4)cccc5 -MOL_01_021408,Cc1cc(C)n(n1)Cc2ccc(cc2)C(N)NCC3(CCCCC3)c(c4)ccc(c45)CNC5 -MOL_01_021409,Cc1ccc(N(O)O)cc1NC(=O)CCc2n(CC)c(nn2)CNC(=O)c3ccc(C)cc3 -MOL_01_021410,CC(C)(C)c1ccc(cn1)N2CCN(CC2)C(O)C(c3ccc(Cl)cc3)c4cncnc4 -MOL_01_021411,C=C(N1)CC(N)n(c12)c3c(n2)cccc3 -MOL_01_021412,Cc1cccc(c1)/C=C/C(=O)OCC(O)N2CCCc(c23)cccc3 -MOL_01_021413,Cc1ccccc1-c2cc(nc(N)c2CN)C(N)N3CCCC3 -MOL_01_021414,CCCc1ccc(cc1)-n2c(CCC(=O)CC)nnc2Cc3cc(C)nc(n3)C -MOL_01_021415,N1CNc(c12)ccc(c2)CN(C(N)c3ccc(C)cc3)Cc(n4)nc(N)c(c45)cccc5 -MOL_01_021416,c1ncncc1-c2cc(CCC)c(nc2)Nc3cccc(n3)C -MOL_01_021417,C1NCc(c12)ccc(c2)N3CC(=C)C(=C3N)c4ccccc4 -MOL_01_021418,c1cncn1Cc(cc(n2)N)c(c23)ccc(c3)NCCc4ccccc4 -MOL_01_021419,c1ccccc1C(C)N(C(=O)CC2(C)C)CN2C(=O)CCc3ccccc3 -MOL_01_021420,Cc1cc(C)cc(c1)NC(=N)CC(C(=N)N2)Cc(c23)ccc(c3)C -MOL_01_021421,CCN(CC)CC1CCN(CC1)c(nc2O)cc(c23)c(NN)cc(c3)C(F)(F)F -MOL_01_021422,Nc(n1)ccc(c12)cc(cc2)CCC(N)c3ccc(cc3)-c4ccccc4 -MOL_01_021423,C1CCCCC12C3C(CCCC3)=Nc4n2nc(n4)C(C)C -MOL_01_021424,CC(N)n1ccc(c12)cc(cc2)/C=C(C3N)\CCc(c34)ccc(F)c4 -MOL_01_021425,Clc(c1)ncc(c12)CCC2NC(=O)Cc3ccc(Cl)cc3Cl -MOL_01_021426,NCc(c1)c(CN)cc(c12)CC(C)(C)CC2CCN3CCN(CC3)c4ccccc4CN -MOL_01_021427,Clc1ccc(cc1)C2CC(N)N(C(C2)N)CCN3CCN(CC3)c4ccccc4Cl -MOL_01_021428,CNc1ccc(cc1NC)C(C2(N)N)CC(N)=Nc(c23)cccc3 -MOL_01_021429,CC(C)(C)CC(=O)NC(C(=O)C)Cc1cc(N)c(C)c(N)c1 -MOL_01_021430,CCC1CCCCN1C(=O)CCC(=O)c2cc(C)nc(c23)cccc3 -MOL_01_021431,CN(C1)CCc(c12)ccc(c2)NC(=N)c3cccc(c3)CNC(=N)c(c4)ccc(c45)NC(=N)CC5 -MOL_01_021432,Cc(n1)ccc(c12)c(CCN)ccc2CN -MOL_01_021433,CN(C)Cc1ccc(cc1)C2CCCCN2C(O)c3cc(O)nc(n3)O -MOL_01_021434,CNc1cccc(c12)C=C(CN2)CN3CCC(CC3)C(N)Nc4ccc(cc4)-n5cccn5 -MOL_01_021435,CC(C)C(O)N(CC1)CCC12c3c(C(N2)O)cccc3 -MOL_01_021436,NCc1ccc(Cl)cc1CC2CNC(=C)CN(C2=C)C(=C)NC(CC)c3cccc(c3)C(=C)CN -MOL_01_021437,NCc1ccc(c(Cl)c1)CC(=O)NC2CCc(c23)nccc3 -MOL_01_021438,c1cnccc1CC2(CN(CC2)C(N)CC(C)(C)C)c3ccc(CN)c(c3)CC4CCCC4 -MOL_01_021439,c1cccn(c12)c(C(N)C3CC3)cc2C(N)Nc4ccccc4 -MOL_01_021440,C1CCCC1Nc2cc(ccc2NC)C(C3N)(C(N)c(c34)cccc4)Cc5ccncc5 -MOL_01_021441,Cc(c1)ccc(c12)c(N)cc(n2)NCc3ccccc3 -MOL_01_021442,Clc1ccc(cc1)-c2oc(C)c(n2)CCc3cc(F)cc(c3)CN(CC(C)N)C(N)CN -MOL_01_021443,c1cccc(c12)C(C)C(=C(Cl)C2C)Nc3cc(CN)ccc3CN -MOL_01_021444,ONc1c(C)c(C)cc(c1)C(=O)CCN2CCN(CC2)c3ccc(F)cc3 -MOL_01_021445,Cc1ccc(cc1)CCc2cc(C)ccc2CNc3ccnn3-c4cc(C(N)N)ccn4 -MOL_01_021446,Cc1occc1-c2nnc(n2C)CCCCC(=O)c3ccc(F)cc3 -MOL_01_021447,c1ccoc1C(=O)NCc2nnc(n2C)CCC(=O)N3CCN(CC3)c4ccccc4F -MOL_01_021448,Cc(n1)ccc(c12)ccc(c2C)C(Nc3ncccn3)c4ccc(F)cc4F -MOL_01_021449,c1cccc(c12)C(N)c3c2nncc3Cc4ccccc4 -MOL_01_021450,CC(C)N1CCN(CC1)C(=O)CC2CCN(CC2)c3ncccc3C(=O)CN -MOL_01_021451,c1ccccc1C(=O)CCc2ncc(CO)c(CO)c2OCc3ccccc3 -MOL_01_021452,CC(=O)C1CCC(=O)N1C(=O)CCc2cc(Cl)c(Cl)cc2Cl -MOL_01_021453,Nc1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc(c34)ONO4 -MOL_01_021454,c1ccc(CN)c(c12)CCC(C2)NC(=N)CN3CCN(CC3)c4ccccc4CN -MOL_01_021455,COc1ccc(cc1)-c2cc(C(F)(F)F)nc(n2)CCCC(=O)Nc3ccc(O)cc3 -MOL_01_021456,NCc1ccc(cc1F)C2=CCC(=O)N2CCN3C(=O)C=CC3c4ccc(CN)c(F)c4 -MOL_01_021457,Cc1ccc(c(c1)NO)NC(=O)CCC(=O)Cn2cnc(c23)cccc3 -MOL_01_021458,Cc1ncc(C(=O)N)n1C(CN)c2ccc(Cl)c(Cl)c2 -MOL_01_021459,Cc1ccc(nc1)NC(O)c2cc(cn(c23)cnn3)Cc4cncnc4 -MOL_01_021460,c1cccc(c12)c(ncc2)N3CCC(C3)Cc4nccnc4C5CCCCC5 -MOL_01_021461,CNc1ccc(cn1)-c2cc(CN)c(N)c(c2)NC -MOL_01_021462,c1cnccc1CNc2cnn(C)c2C(O)Nc3ccc(Cl)c(c3)C(C)(C)C -MOL_01_021463,c1ccccc1C(C)(C(CC2(F)F)CC2)C(=N)NC3CCN(CC3)Cc4cccc(N)c4 -MOL_01_021464,c1ccc(n12)c(ncc2)NC(=NC3)CC34C5CCN(C4)CC5 -MOL_01_021465,CCC(=O)Nc1cccc(c1)-c2nnc(n2C)CCC(=O)c3ccccc3 -MOL_01_021466,c1cccc(c12)CCCN2C(=N)c3cccc(CN)c3CN -MOL_01_021467,FC(F)(F)c1ccc(cc1)C2=C(N)C(N)N(C2CC)Cc3ccc(C(F)(F)F)cc3 -MOL_01_021468,Cc1ccccc1OCc2nnc(n2C)CCc(n3)cc(N)c(c34)cc(F)cc4 -MOL_01_021469,NCC1CN(C1)C(N)c(c2)ccc(c23)c4c(C3(N)C(F)(F)F)cccc4 -MOL_01_021470,Nc1c(C)c(N)c(C)c(c12)NC(CC2N)c3ccccc3N -MOL_01_021471,CC(=O)c1cc(ncn1)-c2ccc(c(Cl)c2)CCC3CC3 -MOL_01_021472,Nc1c(N)n(CN)c(c12)ccc(c2)C(=N)NCCN3CCCCCC3 -MOL_01_021473,COc1cccc(c1)Cc(nc(c23)cccc3)c(n2)CCC(=O)N4CCCCC4C -MOL_01_021474,O=C(C)c1ccc(C)c(c12)nc(cc2)C(=O)Nc3ccc(F)cc3 -MOL_01_021475,CN(C)C(N=1)=CC(=O)C(C12)=C(N=C2)c3ccccc3 -MOL_01_021476,C=C(N)c1ncn(c12)C(=C)N(N=N2)C -MOL_01_021477,CNc1cc(CCC(N)N)cc(NC)c1-c2ccc(N)c(c2)C34CC5CC(C3)CC(C5)C4 -MOL_01_021478,Fc(c1)c(F)ccc1C2(c(cc3)ccc3N)C(N)=Nc(c24)c(F)c(F)cc4 -MOL_01_021479,CCOC(=O)c1cnc(nc1N)CCC(=O)N2CCN(CC2)c3ccccc3 -MOL_01_021480,CC(C)NC(O)c1c(C)c(n(n1)C)NC(O)Cc2ccccc2 -MOL_01_021481,CC(C)(C)c1ccc(cc1)C(CN)(C(=N)CCCCN)C(=N)c2ccccc2C(F)(F)F -MOL_01_021482,COc1ccccc1-n2nnnc2CCC(=O)NCC3(CCCCC3)N4CCOCC4 -MOL_01_021483,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)CCC(O)CNc3ccncc3 -MOL_01_021484,CN(C)CCNc1nc(c2c(cc3)cncc2)c3c(c14)cc5c(c4)CNC5 -MOL_01_021485,Cc1c(C)c(C)c(c(C)c1C)C(=O)Nc2cc(CN)c(Cl)cc2CN -MOL_01_021486,c1cccc(CC2)c1CC23CC(=N)N(C3=N)CN4CCN(CC4)c5cccc(Cl)c5 -MOL_01_021487,C=c1ccc(=C)c(c12)n(CN)c(n2)-c3ccccc3 -MOL_01_021488,NCC(=C)c1ccc(cc1)CCC(=C)CCC(=C)N(C(N)(N)C(=C)N2)c(c23)cccc3 -MOL_01_021489,CNc(c1C)cc(NC)c(c12)C(N)CC(N2)c3ccccc3 -MOL_01_021490,CNc1cccc(c1)-n2cc(nn2)Cn3c(O)cc(c34)cccc4 -MOL_01_021491,C1C(C)(C)NC(C)=C(C123)C(=N)C=4C2(C)C(=NC(C4)(C)C)CC(C)(C)C3 -MOL_01_021492,Fc1ccc(cc1)NC2CC(C(=O)NC)CC(=O)N2CCc3ccc(OC)c(c3)OC -MOL_01_021493,NCC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(c3)CCC4CC4 -MOL_01_021494,CCC1CCCCN1CCCNC(=O)c(c(=O)n2)c(C)n(c23)cccc3 -MOL_01_021495,c1ccccc1C(C)(C(CC2(F)F)CC2)C(=N)Nc3cccc(c3)CN -MOL_01_021496,Cc1cnc(c(C)c1CN)CCC(N2)Cc(c23)cccc3 -MOL_01_021497,Cc1cccc(C(O)NC(C)C)c1NC(O)c2cnc(C(F)(F)F)nc2C(C)C -MOL_01_021498,CCN(C(=O)C)c1c(N)cc(N)c(c1N)CCCCC(C)C(=O)C -MOL_01_021499,c1cccc(c12)c(cc(n2)C)C(=O)CCC(=O)N(C)Cc3ccccc3 -MOL_01_021500,CCNc1ccc(cc1)-c(cc(N)c(c23)c(C)nc3C)cc2NC(N)c4ccc(F)cc4 -MOL_01_021501,C1CC1C(=N)Nc2cc(CN)c(cc2Cl)C(=N)NC3CCN(C3)C(C45)C6CC(C4)CC(C5)C6 -MOL_01_021502,C1CCCCN1C(=O)CCc2n(-c3ccc(cc3)CC)c(nn2)C(C)N4CCCCC4 -MOL_01_021503,CNC(N)CNc(c1)cc(NCC(N)NC)c(c12)c(cc(n2)N)-c3ccccc3 -MOL_01_021504,Cc(c1)ccc(n12)nc(C)c(c2=N)CCN3CCC(CC3)C(=N)c4ccc(F)cc4 -MOL_01_021505,NCc1ccccc1CC2CCN(CC2)c3nccc(n3)N -MOL_01_021506,c1nccnc1NC(=C)Nc2ccnc(c23)cc(cc3)C(C)(C)C -MOL_01_021507,c1cc(F)cc(c12)CC(C(C)=N)N(C2)C(=N)C(N)Cc3c(C)cc(C)cc3C -MOL_01_021508,Cc1cccc(n1)NC(=O)c2ccc(cc2)NC(=O)CC3CC(=NC3=O)N4CCCC4 -MOL_01_021509,Cc1ccnc(c1)NC(=N)C2CCC(=N)N2C3CCN(CC3)Cc4ccc(Cl)c(C)c4 -MOL_01_021510,O1CCOc(c12)ccc(c2)C(=N)COC(=N)c3ccc(cc3)N(C4=N)C(=N)C(C45)CC=CC5 -MOL_01_021511,Fc1ccc(cc1)CNC(=O)C2CCC(N23)Nc4c(C3)cccc4 -MOL_01_021512,Fc1ccc(cc1)NC(N)Nc2cc(-c3ccnn3C)c(cc2)NCCN4CCCCC4 -MOL_01_021513,C1CCCc(c12)ccc(c2)N(CCCN)C(=O)CCC(=O)c3ccc(Cl)nc3 -MOL_01_021514,COc1ccc(cc1)-c2nc(c(o2)C)CC(O)CC(=O)NCc3ccccc3OC -MOL_01_021515,CC(C)N1CCC(CC1)Cc2cc(ccc2CN)C(=O)NCCCn3cccn3 -MOL_01_021516,CNC(C)(NC)c1ccc(cc1)C(N)(Cn2ccnc2)c3ccc(cc3)-c4ccncc4 -MOL_01_021517,CCCC(O)Nc(nc1N)cc(c12)CCC(=N2)c3ccc(CN)cc3 -MOL_01_021518,Nc1cc(N)n(n1)C(=O)c(c(n2)N)cc(c23)cccc3 -MOL_01_021519,n1cccc(c12)cc(O)n2CN3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_021520,C1CCCc(c12)ccc(c2)C(=O)N(C)CC(=O)Nc3ccc(CN)cc3 -MOL_01_021521,NCC(=N)c1ccccc1CCC(=N)N2CCN(CC2)c3ccc(Cl)cc3 -MOL_01_021522,CC1CCCN1CCCCc2ccc(cc2)-c3cc(CN)c(=N)n(C)c3 -MOL_01_021523,Cc1nc(C)n(C)c(c12)nc(n2)CN3CCN(CC3)Cc4ccccc4 -MOL_01_021524,NC(N)c(n1)cc(C(N)N)c(c12)ccc(c2)-c3ccccc3 -MOL_01_021525,Cc1ccc(cc1)-c2ccc(cn2)-c3c(C)nc(C)c(C)c3N -MOL_01_021526,CNc(c1)ccc(c12)ccc(c2C)-c3cncc(N)c3 -MOL_01_021527,Nc1nc(CC)cc(c12)c(CN)c(nc2N)N(CC)CC -MOL_01_021528,CCCCN1CCC(CC1)CCC(=O)c2cc(CN)c(NC)c(c23)CCCC3 -MOL_01_021529,Cc(c1)ccc(n12)nc(C)c2C(O)NCCCc3ccc(NO)cc3 -MOL_01_021530,C1CCC(C12)CN(C2)C(=O)c(n3)ccc(c34)cc(cc4)Cc5ccc(C(F)(F)F)cn5 -MOL_01_021531,CC(=O)Nc1ccccc1CCc2cc(C)nc(n2)-c3ccccn3 -MOL_01_021532,Cc1cccc(c1)CC(N)C(=N)N2CCCC2C(=N)NC(C34)C5CC(C3)CC(C4)C5 -MOL_01_021533,Cc1cc(C)c(cc1C)CC(N)CC(=O)N2CCN(C)C(=O)C2 -MOL_01_021534,COc1ccc(cc1F)-c2ccc(n2CCO)Nc3ccccc3 -MOL_01_021535,CCCCCCn1c(=O)/c(c(=O)[nH]c1=C)=C/Nc2ccccc2N3CCOCC3 -MOL_01_021536,NCc1cccc(c12)c(ccn2)CC3CCC(CC3)NC(N)c4cc(F)cc(F)c4 -MOL_01_021537,n1cccc(c12)ccc(c2N)C(NC(N)CCCC)c3ccc(Cl)cc3Cl -MOL_01_021538,c1cccc(c12)NC(=O)C2Nc3cccc(c3)Cc4cccc(c4)NC5C(=O)Nc(c56)cccc6 -MOL_01_021539,Nc(c1)c(N)nc(c12)CCCN2CC(C)CN3CCN(C)CC3 -MOL_01_021540,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1CCC(CC2)CC2(C)C -MOL_01_021541,C1CCCC12Cc3c(cc(CN)cc3)C(C2C)n4ccccc4=O -MOL_01_021542,c1cccc(c12)c(cn(c2=N)CC(C)C)NC(=N)N3CCN(CC3)c4cccc(Cl)c4 -MOL_01_021543,NCc(c1)c(CN)cc(c12)C(C)=C(C(=C)CN)CC2c3ccc(CN)c(c3)CN -MOL_01_021544,c1cccc(c12)CCN(C2)CC(C)CNC(=N)c3ccccc3-c4ccccn4 -MOL_01_021545,c1ccccc1C2(c3ccccc3)NC(=N)N(C2=N)CCNc4ccc(F)cc4 -MOL_01_021546,Fc1ccc(cc1F)C(=N)N(C2)CCn(c23)nc(c3)CCc4ccccc4 -MOL_01_021547,NCc1ccc(cc1)C(=N)N(C2)CC(=N)N(C23)CCCc4c3cccc4 -MOL_01_021548,CCCCc(c1C)c(CN)nc(n12)nc(c2)C(=N)c3ccccc3 -MOL_01_021549,Cc1ccc(cc1)CCC(=O)N(Cc(c23)cn(n3)C)CC2CCN -MOL_01_021550,c1cccc(c12)CC(CN)CN2C(O)Nc3cccc(c34)CCCC4 -MOL_01_021551,c1cccc(c12)c(=C)n(c2=C)CC(=C)Nc3cc(CN)c(CN)cc3C(=C)C -MOL_01_021552,COCC1CCC(N)=NC1(C)c2ccc(F)cc2F -MOL_01_021553,Cn1c(N)nnc1CC2CCCN(C2=O)c3ccccc3F -MOL_01_021554,c1ccccc1N(CC)Cc(n2)cc(O)n(c23)nc(c3)C -MOL_01_021555,Cc1ccc(cc1)C2CC(C(=O)N2)Cc3cccnc3 -MOL_01_021556,CC(C)(C)NC(=N)NCCCCCC(=N)N(Cc(c12)cccc2)C(C1)C(=N)N3CCCC3 -MOL_01_021557,C1CC1C(O)c(cc2CN)n(c23)c4c(cc3)cccc4 -MOL_01_021558,Cc1cc(Cl)ccc1C(=N)C2CCCN(C2)C(=N)c3cccnc3C -MOL_01_021559,OCCCCCN1CCN(CC1)C2=C(Cl)C(O)N(C2O)c3ccc(NO)cc3 -MOL_01_021560,Cc1ccccc1CNc2cc(nnc3)n3c(c24)cccc4 -MOL_01_021561,Cc(c1)ccc(c12)CC(NC2)C(=N)NC(C(C)C)CN(C34)C(CC3)CC4 -MOL_01_021562,Cc1nn(C)c(C)c1NC(C)(C)c2ccc(nc2)NC(C)c3ccccc3 -MOL_01_021563,COc(c1)ccc(c12)c3c(CC2)ccc(c3)N(C)CC(=O)O -MOL_01_021564,C1CCCCN1C(O)c2cc(C)n(n2)-c3ccc(nn3)CN -MOL_01_021565,CCCC(=O)c1nc(C)n(n1)-c2cc(CN)c(Cl)cc2Cl -MOL_01_021566,c1ncnn1CC(C)(c2c(C)cc(C)cc2)C(C)c3ccncn3 -MOL_01_021567,O=C(N)c1c(CC)ccc(c12)Cc3c(N2)cccc3 -MOL_01_021568,NCc1ccccc1N2CCN(CC2)CCCCN(C3N)CCCc(c34)cccc4 -MOL_01_021569,Cc1c(C(C)C)c(O)cn1C(O)N2CCN(CC2)c3ncccn3 -MOL_01_021570,CCC(C=1)=Nc(c12)ccc3c2=CC(=N3)NC(=O)c4ccc(OC)cc4 -MOL_01_021571,CCCC(=O)NCC(=O)NC(C(C)(C)C)c1ccc(Cl)cc1 -MOL_01_021572,C1=CC(C)=C(C1=2)C(=O)C=C(N2)C(C)NC(=O)CCC(=O)c3ccccc3 -MOL_01_021573,CCCCC(N)c(c1N)cnc(c12)ccc(c2)Cc3cccnc3 -MOL_01_021574,CCOC(=O)c(c1)cc(n12)c(nc(c2)C)/C=C/c3ccccc3 -MOL_01_021575,Cc1ccc(nn1)-c2ccc(cc2)C(N)N(C3CC3)C4CCN(CC4)C(N)CC(C)(C)C -MOL_01_021576,n1nn(C)nc1-c(c2)cc(-c3ccccc3)c(c24)ccc(c4)NCc5cccc(c5)C6(N)CCNCC6 -MOL_01_021577,CCCc1nc(C)c(NC)c(n1)-n2ccnc2C -MOL_01_021578,CNc1cccc(c1)C(=O)Cc2c(Cl)cc(Cl)c(c23)cccn3 -MOL_01_021579,CC(C)N1CCN(C)CC1c2nc(C)c(C)c(n2)C(C)NCc3ccc(F)cc3 -MOL_01_021580,Fc1ccc(cc1)NC(=O)CN2CCN(CC2)C(=O)C(C3)CCc(c34)cccc4 -MOL_01_021581,CCCC(=O)c(n1)nc(C)c(c12)cc3c(n2)cc(cc3)CN -MOL_01_021582,CCC(O)c(n1)cc(C)c(c12)cccc2NC -MOL_01_021583,c1ccnn1CC2CCCN2C(O)c3ccccc3N4CCCCC4 -MOL_01_021584,Cc1ccc(cc1)CC(N)C(=N)N2CCCC2C(=N)NC(C34)C5CC(C3)CC(C4)C5 -MOL_01_021585,c1ccnc(c12)c(cc(c2)NN)CCC(O)NCCC3=CCCCC3 -MOL_01_021586,N1CCN(C12)CNC(=C2C(=O)OCC)Nc3cccc(c3)C(C)(C)C -MOL_01_021587,c1cc(N)cc(c12)CC(N)=C(CN)C2c3cccnc3 -MOL_01_021588,C=C(N)c1cc(C)c(C)c(c12)cn(n2)-c3ccc(cc3)CNC -MOL_01_021589,COc1cccc(c1)N2CCN(CC2)C(O)c3cccc(c3)NC(O)C4=C(C)OCCC4 -MOL_01_021590,Cc1cc(F)cc(F)c1C(=N)NCC(=N)N2CCCc(c23)cccc3 -MOL_01_021591,Cc1cc(ccc1)C(NC(=O)CC)c(c2C)cc(F)c(c23)cccn3 -MOL_01_021592,c1ccccc1CCN2C(=N)CCc(c23)cc(cc3)NCCCCN4CCNCC4 -MOL_01_021593,COc1ccccc1N2CCN(CC2)CCCCOc3ccc(cc3)C(N=4)CN(C45)C=C=C5 -MOL_01_021594,CCCC(C(C)=C1)=C(C1=2)C(=O)N=C(N2)c3ccc(C)c(C)c3 -MOL_01_021595,Nc1cccc(c1N)-n2ccnc2CCC(=O)Nc3cccc(F)c3 -MOL_01_021596,NCC(=C)C1=C(C)NC(C)=C(C1c(ccc2)cc2NC)C(=C)CCCNCc3ccccc3 -MOL_01_021597,CC(=N)Nc1ccc(cc1)Cc2nc(-c3ccccn3)nc(c24)cccc4 -MOL_01_021598,C1CCCC(C1=2)=C3C(C2)=NC(=CC3=O)NC(=O)c4ccccc4 -MOL_01_021599,c1ccccc1CN2C(=N)C(CC(=C2C)C(=N)N(C(C)C)C(C)C)CC(=N)NCCN3CCCCC3 -MOL_01_021600,CNC(=O)C(C(C)(C)C)NC(=O)c1cc(c(Cl)cn1)CCC(C)(C)C -MOL_01_021601,n1cccc(c12)ccc(c2C)C(c3cccnc3)Nc4ccc(C(C)N)cc4 -MOL_01_021602,Cc1ccc(cc1)-c2nc(nc(O)c2CN)CCc3cccc(C)c3C -MOL_01_021603,Clc(c1)ncc(c12)CCC2NC(O)Cc3ccc(Cl)cc3Cl -MOL_01_021604,NCc1ccc(cc1)Cc2c(CN)cc(c(c23)nccc3C)NC(C)CCCN -MOL_01_021605,CC(=N)NCC(=N)N(CC1)CCC12CCN(c3ccccc3)c4c(C2)cccc4 -MOL_01_021606,n1ccnc(c12)Nc3c(C2)ccc(c3)CN4CCCCCC4 -MOL_01_021607,Cn1n(C)c(=N)c(c12)cc(cc2)NC(=N)CCc3ccccc3CN -MOL_01_021608,CCCC(N)c1ccc(cc1)NC(N)c(c(n2)N)cc(c23)CCCC3 -MOL_01_021609,Cc1ccc(cc1)CNC(O)c2nnn(c2N)CC(O)Nc3cccc(C)c3C -MOL_01_021610,ClCC(=O)Nc1cc(ccc1)C(C(=O)NC)NC(=O)CCc2ccccc2 -MOL_01_021611,NCC(=N)c1ccccc1C(=N)N2CCCC(C2)C(=N)c3cc(F)ccc3F -MOL_01_021612,CCCCNC(=O)Nc1ccc(cc1)Cc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_021613,c1ccccc1C(=O)C(C)CC(=O)CN(C(=O)N2)C(=O)C2(C)C -MOL_01_021614,c1ccc(c12)nc(n(c2O)CN)NC3CCC3 -MOL_01_021615,C1CC1N2C(=C)C(C)=Nc(c23)cncn3 -MOL_01_021616,O=C1CC(C)(C)CC(=C12)CC(N)=C(C(=O)CC)C2c3cccnc3 -MOL_01_021617,CCc1ccc(cn1)C(C(C)NC(=O)C(F)(F)C)Cc2ccc(CN)cc2Cl -MOL_01_021618,N1CNc(c12)ccc(c2)-c3c(c4c(cc5)NCN4)c5cc(c36)CNC6N -MOL_01_021619,c1cccc(CC2)c1CC23CC(=N)N(C3=N)CCN4CCN(CC4)c5cccc(Cl)c5 -MOL_01_021620,CNC(N)c1cc(ccc1Cl)-c2ccnc(CC)c2/C=C/c3ccc(N)nc3C -MOL_01_021621,c1ccccc1C(=O)NC(C(C)C)C(=O)CCC(=O)N2CCN(CC2)c3ccccc3 -MOL_01_021622,c1cc(F)cc(c12)CCN(C2)C(=N)CC(C)(C)NCC(=N)N3CCCC3CN -MOL_01_021623,CCCC(=N)c1cc(C)n(c1C)CC2CCC(CC2)C(=N)Nc3ccc(CN)cc3 -MOL_01_021624,c1c(Cl)c(N)cc(c12)CCCCCCN(CC)CCCNC2=O -MOL_01_021625,NCc1cc(N)c(Cl)cc1C(=O)NC2CCCN(C23)CCCC3 -MOL_01_021626,c1cncn1CC(F)(c2ccccc2)C(=N)c3ccc(Cl)cc3Cl -MOL_01_021627,Cc1ccc(c(n1)C)Cc2ccc(cc2)-c3ccn(CC4CC4)c(=N)c3CN -MOL_01_021628,C1CCCC1Cc2nc(N)c(CC)c(n2)C(N)c3ccccc3 -MOL_01_021629,NCC1CCN(CC1)C(=N)c(c2)ccc(c23)cc(cc3)CCCCN4CCCCC4 -MOL_01_021630,Cc1cccc(c1)NCC(N)Nc2ccccc2C(N)NCc(n3)cc(N)n(c34)ccc4 -MOL_01_021631,CCc1ccc(CC)c(c1)NC(=O)CN(CC)Cc(n2)nc(C)c(c23)cccc3 -MOL_01_021632,Cn1cncc1C(N)N(C2)CCCc(c23)ccc(c3)-c4ccc(C(F)(F)F)cc4 -MOL_01_021633,NCc(c1)ccc(c12)cc(cn2)Cc3cncc(c34)cc(CN)c(c4)CN -MOL_01_021634,C1CC1NC(C)c2cc(ccn2)CNc3ccccc3C(C)Nc(c4)ccc(c45)CC(F)(F)C5 -MOL_01_021635,C1CCCCN1C(=C)CN(C(=C)N2)C(=C)C2(C)c(c3)ccc(c34)cc(cc4)CN -MOL_01_021636,COc1cccc(c1)CNC(O)c(c2)cc(c23)c(O)oc4c3cc(C)cc4 -MOL_01_021637,CCCn1c(C)cc(c1C)C(O)CCc2ccc(C)nc2NN -MOL_01_021638,Cc(c1)ccn(c12)c(c(n2)C)C(O)NCCCc3cccc(c3)NO -MOL_01_021639,CCc1ccccc1N2CCN(CC2)CCCCCc(c3)ccn(c34)nc(c4)CN -MOL_01_021640,c1ccccc1Cc2c(CN)cc(c(c23)nccc3C)NC(C)CCCN -MOL_01_021641,Cc1ncc(C(O)NC)n1C(CC)c2ccc(C)c(C)c2 -MOL_01_021642,NCc1ccc(CN)cc1CN(C(=C)C)c2cc(F)ccc2Cc3ccccc3 -MOL_01_021643,CCC(=N)N1CCc(c12)cc(cc2)CNC(=N)c3ccccc3C -MOL_01_021644,NCc1ccnc(c1)N2CCN(CC2)C(N)c(c3)ccc(c34)CCC4 -MOL_01_021645,c1ccccc1C(c2ccccc2)NNC(CC)CC(C3)CCc(c34)c(ccc4)NCC(N)N -MOL_01_021646,C=C1C/C(C(O)N1)=C/c(c2)ccc(c23)OCO3 -MOL_01_021647,Cc1cc(CN)cc(C)c1Cc2nc(cn(c23)ccn3)Nc4ccc(cc4)CCN -MOL_01_021648,Fc1c(F)cc(F)cc1NC(C)c2cc(C(O)N(C)C)cc(c23)c(O)cc(c3)N4CCOCC4 -MOL_01_021649,CCc1nnc(n1CC)CCC(O)N2CCc(c23)cccc3 -MOL_01_021650,Nc1nnc(cc1)-c2c(C)c(C)c(cc2)C3CCC3 -MOL_01_021651,CCCn1nc(C)c(c1N)C(C)c2ccccc2C(C)(C)C -MOL_01_021652,Cc1cn(C)c(c1C(C)N)CC(N)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_021653,CC(C)OC(O)C1=C(C)N(C)C(C)=NC1c2ccccc2 -MOL_01_021654,Cn1cccc1Cc2nnc(n2CCc3ccccc3)CCC(=O)N4CCCCCC4 -MOL_01_021655,CC(C)c1ccc(cc1)-c2cc(C(=C)N)c(cc2)NC3CCN(CC3)C(=C)CN -MOL_01_021656,c1ccoc1C(O)Nc2ccc(cc2)C(O)N3CCCc(c34)cccc4 -MOL_01_021657,Cc1ccc(n12)nc(cc2O)CCC(O)c3ccc(Cl)c(c3)NO -MOL_01_021658,Clc1ccc(cc1)C2=C(C(O)NC2O)Nc3cccc(c3)C(O)O -MOL_01_021659,Cc1cnc(cn1)C(O)CCC(O)N2CCc(c23)cccc3 -MOL_01_021660,Cc(n1)cc(CN)c(c12)cc(cc2)NC(N)Nc3cccc(c34)cccc4 -MOL_01_021661,n1cnn(c12)C(=C)CC(N2)C(=C)Nc3cc(C)cc(C)c3 -MOL_01_021662,CC(C)c1cccc(c1)C2CC(NC(=N)c3ccccc3)CN(C2)C(=N)N4CCCCC4 -MOL_01_021663,Nc(c1)c(N)cc(c12)ncn2CCC(=O)NC3CCCC3 -MOL_01_021664,Clc1ccc(c(Cl)c1)C(CN2)NC2(Cn3ccnc3)c4ccc(Cl)cc4Cl -MOL_01_021665,CCCc1cc(c(C)cn1)N2CCC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_021666,CN1CC(CC1)Nc2ccc(cc2C)CN3CCC(C3)NC(=N)c4ccc(Cl)c(Cl)c4 -MOL_01_021667,NC(=O)c1c(C)c(CC)c(cn1)NC(=O)Cc2cc(C)cc(C)c2 -MOL_01_021668,C1CC(=N)c(c12)ccc(c2C)C(CN)CN(CC3)CCC34CCN(C4=N)C5=CC(=N)CC5C -MOL_01_021669,N=C(N)CCCCN1C(=N)C(C(C)C)N=C(c(c12)cccc2)c3ccccc3 -MOL_01_021670,NCCc1cc(O)nc(n12)nnc2CCC(=O)NC3CCCCC3 -MOL_01_021671,Cc1ccc(c(Cl)c1)-c2nc(nn2C)CCCN -MOL_01_021672,CC(=O)c(c(n1)C)nc(c12)cc(c(c2)NO)-n3ccc(=O)cc3 -MOL_01_021673,C1CCCCC1C(=N)Nc2cc(CN)c(cc2Cl)C(=N)NC3CCN(C3)Cc4ccccc4 -MOL_01_021674,CNc(c1)c(NC)cc(c12)CCN(C2)C(N)CCN3CCC(CC3)CCNc(c4)ccc(c45)NCN5 -MOL_01_021675,Cc1cc(O)nc(c12)nn(c2O)-c3ccccc3 -MOL_01_021676,CCCOc1ccc(cn1)/C=C/c2ccc(cc2)C(C)(C)CNC(=O)C -MOL_01_021677,CN(C)C(C)CNC(O)c1nnn(c1C(C)(C)C)-c2ccccc2 -MOL_01_021678,C=1C=Cc(c12)nc(=C)n(c2=O)Cc3ccc(OC)cc3 -MOL_01_021679,CC(=O)CNC(=O)C1=C(C)CCN(C1=O)Cc2ccc(nc2)Cc3ccc(C)c(F)c3 -MOL_01_021680,Nc1ccc(cn1)/C=C/c2c(N)ncnc2-c3ccc(N)nc3 -MOL_01_021681,CCc1nc(CC)nc(n1)Nc2ccc(C)c(c2)C3(C)CCCC(=N3)N -MOL_01_021682,Nc1nccc(c12)cc(cc2)CC3CCCNC3 -MOL_01_021683,CC(=N)N1CCc(c12)cc(cc2)C(=N)CN3CCN(CC3)c4ccccc4F -MOL_01_021684,Cc1ccc(cc1)-c2nc(nc(O)c2CCO)CCc3ccccc3 -MOL_01_021685,CNC(=O)c1cccc(c1)NC(=O)N2CCC(CC2)Cc3cc(F)ccc3Cl -MOL_01_021686,Cn1nnc(c12)c(nc(n2)N)CCc3ccccc3 -MOL_01_021687,Cc1cc(C)nc(n1)N(C2O)C(O)Cc(c23)cccc3 -MOL_01_021688,Cc(c1)ccc(c12)N(C(O)C2O)CCCc3ccccc3 -MOL_01_021689,Cc1nc(N)ccc1CNC(=C)CN2C(=C)C(=NC=C2C)NC(C)Cc3ccccc3 -MOL_01_021690,Cc1ccnc(c1)NC(=N)C2CC(=N)N(C2)c(c3)ccc(c34)CCCC4 -MOL_01_021691,c1ccnc(c12)c(cc(c2)CC)NC(C)CCCN -MOL_01_021692,Clc1cccc(F)c1CN(C)C(=O)c2ccc(cc2)NC(=O)CC3CC(=NC3=O)N4CCCCC4 -MOL_01_021693,Cn1cccc1Cc2nnc(CCC(=O)N3CCCC3)n2CCc4ccccc4 -MOL_01_021694,FC(F)(F)c1cc(cc(F)c1)CNC(N)CCCN(CC2)CCC23c4c(CCN3)cccc4 -MOL_01_021695,CC1CCN(C1)C(=N)CCN(C(C2)C(=N)N)Cc(c23)cccc3 -MOL_01_021696,Cc1cccc(C)c1N2CC(CC2=N)C(=N)Nc3cc(C(=N)ON)cc(C(F)(F)F)c3 -MOL_01_021697,Cc1ccccc1NC(O)CCc2nnc(n2C)CNC(O)c(c3)ccc(c34)OCO4 -MOL_01_021698,CNc(c1)ccc(c12)C(N)CC(N2)c3cccc(c3)CCC(C)C -MOL_01_021699,Nc1cccc(c1)-c2cc(Nc3ccccc3)nn2-c4ccccc4 -MOL_01_021700,NCc1ccc(cc1CN)C(CC(=C)CN)n(c2=C)c(=C)c(c23)cc4c(c3)cccc4 -MOL_01_021701,NCc1ccccc1Cc2nc(nc(c23)cccc3)-c4cccnc4 -MOL_01_021702,Cc1ccc(C)c(c1)CNC(O)c2cc(cnc2N)-c3cnn(C)c3 -MOL_01_021703,n1cccc(c12)c(N)c(CN)c3n2c4c(n3)cccc4 -MOL_01_021704,Cc1cc(nn1C)CNC(=O)c2ccc(CN)c(c2)CC3CCN(C(C)C)CC3 -MOL_01_021705,NCCC(=C)Nc(c1)ccc(c12)N(c3c(C2=C)cccc3)Cc4cc(CN)cc(c4)CN -MOL_01_021706,CN(C)Cc1c(CN)cc(cc1CC)-c2cc(C)c(=N)n(C)c2 -MOL_01_021707,CCOC(=O)c1cc(n(C)c1C)NC(=O)COc2ccccc2 -MOL_01_021708,CC(C)CCN1C(Cl)N(CC)C(Cl)C12CCN(CC2)Cc3ccc(CN)cc3CN -MOL_01_021709,NC(N)c(cc1)cc(c12)ccc(c2CN)-c3ccc(N)c(c3)C45CC6CC(C4)CC(C6)C5 -MOL_01_021710,CC(C)CCNC(O)c1nc(nc(O)c1C)-c2ccc(cc2)CN3CCCCC3 -MOL_01_021711,Cc1nc(C)c(c12)c(N)cc(cc2NC)-c3cc(NC)c(cc3)NC(N)c4ccc(C)cc4 -MOL_01_021712,COc1cc(cc(c1)OC)COc(c2)ccc(c23)CN(CCN3)C(CC(C)C)C(=O)NO -MOL_01_021713,Fc(c1)ccc(c12)ncc(c2)C(N)NCCC(C)CN3CCN(CC3)c4ccccc4CN -MOL_01_021714,NCc1ccc(cc1)C(O)Nc2ccc(cc2)Cn(n3)cc(c34)c(O)ncn4 -MOL_01_021715,Fc1ccc(cc1)N(CC(O)OCC)C(O)COc2nc(C)cc(C)c2CN -MOL_01_021716,Cn1cc(cn1)CC2N(CCC2N(C)C)C(=N)c3ccccc3N -MOL_01_021717,CNc1cc(CC(N)C(=O)C)cc(c1Cl)-c2cccc(c2)C(=O)C -MOL_01_021718,CCCc1cc(O)nc(n1)CCC(=O)c2cc(C)n(c2C)C3CC3 -MOL_01_021719,ONc1cc(ccc1)NC(=O)CCc2ncnc(c23)cccc3 -MOL_01_021720,CCC1CC(O)N(C1)c2ccc(c(C)c2)-c3ccc(CN)nc3 -MOL_01_021721,N1CNc(c12)c3c(cc2)cc(C(N)NC)c(C(N)NC)c3-c(c4)ccc(c45)NCN5 -MOL_01_021722,c1cccc(c12)c(c(C)n2C)NNC(C)CNC(C)c3ccccc3 -MOL_01_021723,Oc1ccc(cc1)C(C2)C(C(=O)C)=C(C)Nc(c23)cccc3 -MOL_01_021724,CCCNc1nccc(c1F)N2CCC(C2)Cc3ccc(cc3)C(C)C(=N)NC4CC4 -MOL_01_021725,NCc1cccc(CN)c1CCCNCC(CC2)CC2(c3ccccc3)c4ccccc4 -MOL_01_021726,CCCc(c1)ccc(c12)nc(c(c2)CN)NCCNC(C)Nc3ccccc3 -MOL_01_021727,Cc(c1)ccc(c12)CCC(=C)N2CC(=C)Nc3cc(CN)ccc3CN -MOL_01_021728,CC1(C)C(N)N(C(C)C)N=C1c2ccc(CN)c(c2)CCc3ccccn3 -MOL_01_021729,CCC(O)C1=C(C)NC(C)=C(C(O)CC)C1c(c2)ccc(c23)CCC3 -MOL_01_021730,Cc1cc(C)cc(c1)-n2ccnc2CCC(=O)Nc3cccc(c34)cccc4 -MOL_01_021731,CCCC1=C(CN)C(=C)N(C(=C1)C)CC(=C)Nc2ccccc2C(=C)CC -MOL_01_021732,c1ccccc1NC(N)c2c(C)ccn(c23)c4c(n3)cccc4 -MOL_01_021733,Cc1cc(N)c(C(C)N)c(n1)Nc(c2)ccc(c23)NCCN3 -MOL_01_021734,C1CCCCC1Nc2ccc(F)c(c2)C(=N)NCC(N)CN(C3)CCc(c34)cccc4 -MOL_01_021735,c1ccccc1CN(C(=C)N2)C(=C)C2(Cc3ccccc3)C(=C)NCc4cc(CN)cc(c4)CN -MOL_01_021736,CC1(C)N(C)C(O)N(C1)c2ccc(cn2)/C=C/c3cncnc3 -MOL_01_021737,Cc(c1)cc(n12)nc(cc2N)CCc3cccc(c3)NC(N)c4ccccc4Cl -MOL_01_021738,CCN(CC)Cc(c1C)c(C)nc(c12)ccc(c2)NC(C)O -MOL_01_021739,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1CCC(=O)C(C)C -MOL_01_021740,CCN(CC)C(=N)c(c1)ccc(c12)n(CC(=N)N(C)C)c(=N)c3c2cccc3 -MOL_01_021741,c1cccc(c12)NC(=O)CC(C)N2C(=O)CCc3ccccc3C(=O)N -MOL_01_021742,CCN1CCN(CC1)CCCNC(=N)c(c2)ccc(c23)CCCN3Cc4ccc(C)cc4 -MOL_01_021743,c1cccn(c12)c(nc2C(=O)C(C)(C)C)CCc3ccc(NO)cc3 -MOL_01_021744,Cc1ccc(cc1)NC(=O)NCc2nnc(n2C)-c3cnoc3N -MOL_01_021745,Cc1cccc(c1)CCc2noc(c2C(=O)O)C(=O)NC(C)C -MOL_01_021746,CCC(=O)C1(C(=O)CC)N=C(C)CC1c2ccccn2 -MOL_01_021747,C=CCNc1ccc(cc1NCC=C)C(N2)CC(N)c(c23)ccc(c3)NC -MOL_01_021748,CC(=O)Nc1ccccc1CCC(C)CNCCNC(=O)C(C)C -MOL_01_021749,Cc1cc(ccn1)-c2ccc(cc2CN)NC(=O)Nc3cc(Cl)ccc3C -MOL_01_021750,CC(O)Oc(c1)ccc(c12)nc(O)cc2C(F)(F)F -MOL_01_021751,C1COCCN1c(c2)c(C)cc(c23)nc(C(C)(C)C)c(n3)C(C)O -MOL_01_021752,NCc1ccccc1-c2c(=N)n(-c3ccccc3)cc(c2)-c4ccccc4F -MOL_01_021753,CNc(n1)cn(c12)CC(CC2)CCc3ccc(cc3)-c4cccnc4 -MOL_01_021754,NCc1n(C)c(cc1)C(=C)NC(C)c2c(F)cccc2Cl -MOL_01_021755,CC(N)c1cnn(c1N)-c2cc(ncn2)Cc3ccccc3 -MOL_01_021756,CNc1ccc(cc1NC)CCNC(=N)C2(CCN(C)CC2)c3ccccc3 -MOL_01_021757,c1cccc(c12)ncnc2C(C)(C)c3ccc(CN)c(c3)CN -MOL_01_021758,CNc1ccc(C)c(c12)nc(cc2)CN(C)CCN -MOL_01_021759,C1CCNC1C(=O)NC(=O)CCC(=O)c2ccccc2 -MOL_01_021760,NCC(C1)Cc(c12)cc(cc2Cl)-c3cnccn3 -MOL_01_021761,CC(C)(C)c1cnc(nc1NC)Nc2ccc(cc2C)-c3nnn(n3)C -MOL_01_021762,NCC(=C)c1ccc(cc1)CCC(N(CC2)C(=C)CC)c(c23)cc(CN)c(c3)CN -MOL_01_021763,CC(C)(C)c(n1)nc(O)c(c12)cc3c(n2)cc(CN)c(c3)CN -MOL_01_021764,N1NNc(c12)ccc(c2)CN(CC3)C(c(c34)ccc(N)c4)c5ccc(cc5)NCCN6CCCC6 -MOL_01_021765,CC(=O)NC(C)c(c1C)cc(C)c(c12)cccn2 -MOL_01_021766,NCc1cnc(cc1)NC(=C)C(C2)C2(c3ccccc3)CCc4ccc(CN)c(c4)CN -MOL_01_021767,CNC(=N)C(C(C)(C)C)NC(=N)c1ccc(C2CC2)c(n1)CCc3ccccn3 -MOL_01_021768,CCNc(c1)ccc(c12)C(C(=C(C2)N)CN)c(c3)cc(CC)c(c34)CCC4 -MOL_01_021769,CCOc(c1)ccc(c12)cc(CN)c(n2)CCC(=O)OCc3ccccc3 -MOL_01_021770,CC(=N)c1ccc(c(c1)CN)Cn2ccc(c23)ccc(c3)NC(=N)CC4CCCCC4 -MOL_01_021771,NCc(c1)c(CN)cc(c12)c(c(N)nc2C)Cc(c3)cnc(c34)cccc4 -MOL_01_021772,CC(=O)c(c1)ccc(c1=2)=C3C(C(N2)=O)=CC=C3 -MOL_01_021773,C1CN(C)CCC12Cc3c(CN2)cc(C(C)(C)C)cc3N -MOL_01_021774,Nc1nc(C(C)(C)N)cc(c12)ccc(c2)/C=C/CCN(C3N)C(N)c(c34)cccc4 -MOL_01_021775,Cc(c1)ccc(c12)CCC(N)N2CC(N)NCCCN3CCCCC3 -MOL_01_021776,CCCc1cccc(c1)N2C(=N)CC(C2=N)N(CC3)CCC3(C(=N)N)N4CCCCC4 -MOL_01_021777,CCCc(c(N)c1)cc(c12)NC(C2C)Cc3ccc(NC)cc3 -MOL_01_021778,CNc1ccccc1N2CCN(CC2)Cc(c3N)cc(CNC(C)C)c(c34)cccn4 -MOL_01_021779,Nc1cccc(c1)NCC(O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_021780,c1ccccc1C(N)NC2CCC(CC2)CCN3CCC(CC3)c4cccc(c45)NCC5 -MOL_01_021781,CCc1c(F)c(N)nc(c12)cc(N)cc2N -MOL_01_021782,c1cccc(c12)nc(n2C)Cc3nc(O)cc(n3)N4CCCCC4 -MOL_01_021783,Cc1cncc(c1)C(O)Nc2cccc(c2CN)CN3CCC(CC3)C(O)NC(C)(C)C -MOL_01_021784,c1cccc(c12)ncc(c2N)/C=C/c3cccnc3 -MOL_01_021785,Cc1cccc(c1)-c2nc(nc(O)c2CN)CCc3ccccc3 -MOL_01_021786,Cc1ccccc1C(N2)CC(N)c(c23)c(N)c(C)c(N)c3C -MOL_01_021787,CCCC(=O)c1cnn(c1NC(=O)C(C)(C)C)CCCC(=O)C(C)(C)C -MOL_01_021788,NCc1ccc(cc1CN)-c2ccc(nn2)CCC(=O)NC3CCCCC3 -MOL_01_021789,CNc1ccc(cc1NC)-c2cnc(NC(C)(C)C)nc2NC(C)(C)C -MOL_01_021790,CNc1cc(CC(N)C(C)O)cc(c1Cl)-c2cccc(C)c2 -MOL_01_021791,C1CCCN1C(O)CCc2n(C)c(nn2)Cn3c(O)cc(c34)cccc4 -MOL_01_021792,CC(C)CCc1c(C(N)CCC)ccc(c12)ccc(n2)N -MOL_01_021793,c1ccccc1N(CC)C(N)CCC(N)c2cc(C)n(c2C)C3CC3 -MOL_01_021794,Cc1ccc(cc1)-n2ncc(c23)c(C)nc(n3)CCc4ccccc4 -MOL_01_021795,Cc(n1)cc(C)c(c12)c(O)nc(n2)CCC(=O)NCCc3ccccc3 -MOL_01_021796,N=C(N)c1ccc(cc1)NC(C2(CC)C(C)C)N(C2=N)C(=N)NCc3ccccc3 -MOL_01_021797,C1CC1c2cnc(nc2)-n3nc(CN)c(c3N)Cc4ccccc4 -MOL_01_021798,NC(=O)c1cncc(c1)CCc2cccc(c2)NC(=O)c3ccc(cc3)-c4ccncc4 -MOL_01_021799,Cc1cc(C(C)(C)C)c(CN)c(n1)N2CCCCC2 -MOL_01_021800,C1CC(C)=Nn(c12)c(nn2)-c3ccc(C)cc3 -MOL_01_021801,CC(C)CNC(=C)Nc1cc(cnc1C)C(=C)N2CCC(CC2)c3ccc(CN)cc3 -MOL_01_021802,c1cc(NC)cc(c12)C=C(C(=O)CC)CN2C(C)C(=O)CC -MOL_01_021803,CCCc1ccc(N)c(c1)-c2ccc(N)c(c2)CC(N)CN -MOL_01_021804,c1ncnn1CC(N)(c2c(C)cc(C)cc2)CN3CCN(CC3)Cc4ccc(CN)cc4 -MOL_01_021805,OC1CCCC1NC(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_021806,CC1CCN(CC1)C(=O)C(CC2)CCC23CNC(=O)c4c(C3)cccc4 -MOL_01_021807,Nc(n1)ccc(c12)cccc2CCc3c(Cl)cncc3Cl -MOL_01_021808,C=CCOc1cc(ccc1OC)C2=C(C(NO)C(O)C2)c3cc(OC)c(OC)c(c3)OC -MOL_01_021809,Cc1ccccc1CCN(CCCC2)C23CCc4c(C3=N)cc(cc4)CN -MOL_01_021810,NCc(c1)ccc(c12)n3c(c2)ncc(c3O)C(O)NCc4ccc(Cl)cc4 -MOL_01_021811,CN1C(N)=NC(=CC1=C)C2CC2c3cccc(c3)-c4cccc(N)c4 -MOL_01_021812,COc1ccc(cc1)-c2ccc(nn2)CCC(=O)N3CC(=O)Nc(c34)cccc4 -MOL_01_021813,Clc1ccc(cc1)CN(C)CC(N)CNc(c2)ccc(c23)nc(N)cc3 -MOL_01_021814,Cc1ncc(C(=O)CN)n1C(CC)c2ccc(Cl)cc2 -MOL_01_021815,Clc1ncc(cc1)CC(C(=N)NC2(CN)CC2)NC(=N)c3ccc(cc3)-c4ccccc4 -MOL_01_021816,CC1CCN(CC1)CCCCc(c2)ccc(c23)CCC(N3)N -MOL_01_021817,c1ccccc1-n(c2cc(n3)N)cnc(c2c34)ccc4N -MOL_01_021818,NCCc(c1)c(Cl)cc(c12)nc(n2C)CCCn3ccnc3 -MOL_01_021819,OC(O)CCc(n1)c(O)nc(n12)cc3c2c4c(cc3)cccc4 -MOL_01_021820,CC(=O)c1ccc(cc1C)-n2cc(CN)c(c2)-c3cccc(F)c3F -MOL_01_021821,CCCC(C)C1=C(C)NC(C)=C(C(C)CCC)C1c2cccnc2CN -MOL_01_021822,NCc1ccccc1CC(C)(C)C(=O)NCC(=O)Nc2cccnc2 -MOL_01_021823,Fc1cc(ccc1)C(N)CCCN(CC2)CCC2(N)c3ccc(Cl)cc3 -MOL_01_021824,Cc1ccccc1CNc2ncc(cn2)-c3cc(C(C)(C)C)nn3C -MOL_01_021825,C1CCCCC(C1=2)=C3C(C2)=NC(=NC3=O)c4ccc(O)cc4 -MOL_01_021826,NCc1cc(N)c(Cl)cc1C(=O)NC(C23)C4CC(C2)CN(C4)C3 -MOL_01_021827,Cc1cc(C)c(c(C)c1)-c2nc(N)nc(C)c2N -MOL_01_021828,Fc1ccc(cc1)CC2(CCCN2)C(=N)N3CCCN(CC3)C4CCC4 -MOL_01_021829,NC(O)Cn1c(CO)cnc1CCC(O)NCc2ccccc2Cl -MOL_01_021830,CCNc(c1)ccc(c12)cc(CN)c(n2)CCC(N)NCc3ccccc3 -MOL_01_021831,CCCc1ccccc1NC(N)CC2(CCCC2)CC(N)N3CCCCC3 -MOL_01_021832,Cc1c(O)cccc1-c2cccc(n2)C(O)c3ccccc3O -MOL_01_021833,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CN(C)Cc3ccccc3 -MOL_01_021834,Nc(c1)cnc(n12)nc(N)c2C(=O)NCc3ccccc3 -MOL_01_021835,c1ccoc1CNC(=O)CCc2n(-c3ccc(cc3)OC)c(nn2)COc4cccc(C)c4 -MOL_01_021836,Cc1cc(O)c(c(=O)o1)C2CC(CCCN2)c3ccccc3 -MOL_01_021837,Cn1c(C(C)(C)C)cc(c1C(N)CN)NC(N)Nc2ccc(F)cc2 -MOL_01_021838,NC(N)c(c1)ccc(c12)nc(cc2N)C34CC5CC(C3)CC(C5)C4 -MOL_01_021839,NCc1ccc(nc1)N2CCC(CC2)Cc3ncccc3C4CCCCC4 -MOL_01_021840,C1CN(C)CCC1(CN)c2ccc(N)cc2 -MOL_01_021841,Cn1ccc(c12)c3c(cc2)c(c(c(c3)N)CN)-c(c4)cc(CN)c(c45)CNC5 -MOL_01_021842,Cc(n1)nc(c12)nc(C)n3c2C=CC3 -MOL_01_021843,c1cccc(c12)cc(CC)c(c2)NC(C)c3cnn(c34)cccn4 -MOL_01_021844,Cc1nc(N)nc(c12)n(C)cc2 -MOL_01_021845,c1ccccc1C(=C)NC(Cc2ccccc2)C(=C)N(C3)CCc(c34)cc(CN)c(c4)CN -MOL_01_021846,CCOc1ccc(cc1)-c2nnc(o2)CCC(O)N3CCN(CC3)c4ccccc4 -MOL_01_021847,c1cccc(c12)c(F)nc(c2O)C(O)NC(C(O)O)Cc3ccccc3 -MOL_01_021848,NCc1ncccc1C(=O)N(CC)CC(=O)Nc2c(C)cccc2C -MOL_01_021849,CNc1ccc(NC)c(c1)C2CC(N)=Nc(c23)ccc4c3cccc4 -MOL_01_021850,NCc1c(CN)ccc(c12)cc(c(n2)O)C(O)NCc3ccc(F)cc3 -MOL_01_021851,CNc1cc(cc(c1)NC)CN(C2)CCNc(c23)ccc(c3)CN(CC4)CCC4(N)c5cccnc5 -MOL_01_021852,CN1CCN(CC1)C2c(cc(cc3)CN)c3CCc(c24)nccc4 -MOL_01_021853,Cc1cc(=O)n(C)c(c12)c(CN)cc(c2)CN -MOL_01_021854,c1nncc(c12)nc(NC(C)C)c(n2)N3CCC(CC3)Nc4ccc(CN)cc4F -MOL_01_021855,CNC(=N)c1cc(ccc1Cl)-c2ccnc(C)c2/C=C/c3ccc(N)nc3C -MOL_01_021856,CCc1nc(N)nc(N)c1/C=C/Cc2cc(ccc2OC)-c3ccccc3 -MOL_01_021857,C=C(C)Nc1ccccc1C(=C)C(=C)Nc2cc(CN)ccc2CN -MOL_01_021858,NC(N)c(cc1)cc(c12)ccc(c2C)-c3ccc(N)c(c3)C45CC6CC(C4)CC(C6)C5 -MOL_01_021859,CCCCCC(=O)Nc1c(C)nc(C)c(c12)cc(CN)c(c2)CN -MOL_01_021860,c1cccnc1/C=C/c2cc(ccc2ON)C(O)N3CCN(CC3)c4ccccn4 -MOL_01_021861,C1CCCC12N=C(C)N(C2O)Cc3ccc(cc3)-c4ccccc4C(O)O -MOL_01_021862,CNc(c1)cc(NC)c(c12)C(C(N2)N)Cc3ccccc3 -MOL_01_021863,NCc1ccc(cc1)-c2cc(ccn2)Cc3cccc(c3)CN -MOL_01_021864,NCc1c(C)cc(cc1C)C(=N)C2CCCN(C2)C(=N)c3cc(C)n(n3)C -MOL_01_021865,NCc1ncc(cc1)N(CC)C(=O)N2CC(C2)Cc3cc(F)cc(F)c3C -MOL_01_021866,CCCC(=O)C1=C(NC(=O)NC1C)CCC(=O)c2cccnc2Cl -MOL_01_021867,C=C(N=1)C=c(c12)c(ccc2C)C(C)CNCCc3cccc(c3)CN(C)Cc4ccccc4CN -MOL_01_021868,C1CCCN1CCNC(O)CN(C(O)CC2)c(c23)cccc3 -MOL_01_021869,Cn1cc(cn1)-c2nnn(c23)CC(CC3)CNCC4CCCCC4 -MOL_01_021870,NC(N)NC(=CC1=N)N=C2C=C(C3=C12)CN(CC3)Cc4ccccc4 -MOL_01_021871,c1cccc(c12)C(=N)N(CC2)CCCCN3CCN(CC3)c4ccc(ON)cc4 -MOL_01_021872,CCCCCCNC(O)c1c(C)nc(O)c(c12)cc(cc2)NC -MOL_01_021873,NCc1ccc(cc1CN)CC(=C)NCc(c2)ccc(c23)N(CC3)C(=C)CC -MOL_01_021874,c1ccnc(c12)cc(N)n2CCCN3CCN(CC3)c4cccc(c45)cccc5 -MOL_01_021875,C1CC1CN(CC2)C(N)c(c23)ccc(n3)CCc4cccc(F)c4 -MOL_01_021876,CN(C)CCNC(C=1)=Nc(c12)ccc3c2=CC(=N3)NC(=O)c4cccc(c4)ON -MOL_01_021877,c1ccccc1CNC(C(C)(C)C)C(=N)N(C2)CCc(c23)cc(CN)c(c3)CN -MOL_01_021878,Cc(c1)ccc(c12)CCC(=N)N2CC(=N)Nc3cc(CN)ccc3CN -MOL_01_021879,Cc1nnc(N)c(n1)N(C2)CCc(c23)cccc3 -MOL_01_021880,c1ccccc1C(CCC)NC(=N)c2ccc(cc2)-c3ccncc3 -MOL_01_021881,NCc1ccc(cc1)Nc2nc(N)nc(c23)NC(C3)N -MOL_01_021882,c1ccccc1C2C(CN)=C(N)CC(=C23)CC(CC3=N)c4ccccc4 -MOL_01_021883,Cc1cccc(c1C)CCc2nc(O)c(CN)c(n2)-c3ccccc3 -MOL_01_021884,c1cnccc1-c2nc(C(C)(C)C)cc(n2)Nc3cc(CN)ccc3Cl -MOL_01_021885,Cc1cc(N)cc(O)c1C2=NCNCC(C2)c3ccc(N)cc3CN -MOL_01_021886,Cc1cc(CN)cc(c1)Cc2ccnc(c2)-c3ccc(CN)cc3 -MOL_01_021887,C1CCCNC1CCc2cc(C)cc(c2)-c(c3)ccc(c34)c(N)ncc4 -MOL_01_021888,c1cccc(c12)CCC(=N)N2C3CCN(CC3)C(=N)CCc4ccc(CN)cc4CN -MOL_01_021889,Nc1ccc(cc1)C(C(=C)CC)C2CCCCN2Cc3cccc(c3)NNN -MOL_01_021890,CC(=O)Nc1ccc(cc1)-c2nnc(C)c(c23)cc(CN)c(c3)CN -MOL_01_021891,CC(=O)CC(C)NC(=O)c(c1C)nc(CN)c(c12)cc(cc2)Cc3ccccc3 -MOL_01_021892,c1cc(C)ccc1C(N)(c(cc2)ccc2C)C3CCN(CC3)CCCNc4ccc(cc4)NC(C)N -MOL_01_021893,c1cccc(c12)n(cc(c2=N)C(C)=N)Cc3ccc(cc3)C(=N)CN -MOL_01_021894,c1cccc(c12)c(nnc2O)-c3ccc(cc3)NC(O)N(C4)Cc(c45)cccc5 -MOL_01_021895,Cc1cc(C(C)N)c(nc1C)N(CC2(C)C)CC2C -MOL_01_021896,Cc(c1)c(C)cc(c12)N=C(C)CC2c3ccc(CN)c(CN)c3CN -MOL_01_021897,CC(C)(C)c1ccc(cc1)CNC(O)Nc2cccc(c23)cncn3 -MOL_01_021898,NC(=O)c1ccc(cc1C)NC(=O)Nc2ccn(n2)CCCN -MOL_01_021899,NCC(C)c1c(CN)c(N)nc(c12)CCC2 -MOL_01_021900,CCCc1ccc(cc1C(=O)C)-c2ccnc(n2)C3CC3 -MOL_01_021901,Cc1ncc(C(O)CN)n1C(CC)c2cc(C)cc(C)c2 -MOL_01_021902,Oc(n1)cc(c12)cccn2CC(O)NCC(C3)Cc(c34)cccc4 -MOL_01_021903,Clc1cc(cc(Cl)c1)C(C)(C)C(O)c2cc(ccc2CN)C(O)NCc3ccnc(n3)CN -MOL_01_021904,CCc(c1)ccc(c12)C=NC3C2c4c(CC3)cc(N)c(c4)N -MOL_01_021905,C1CCCCN1CCNC(=N)C2(C)C=CC(Cc3ccccc3)N2C(=N)c4ccccc4 -MOL_01_021906,NC(N)CCc1cc(F)c(c(F)c1)NCc2c(C(F)(F)F)ccn2-c3ccccc3 -MOL_01_021907,NCc(c1)ccc(CC2)c1C(c(c23)cccn3)NCCN4CCCCC4 -MOL_01_021908,CNc1ccccc1CCC(O)Nc(c2)ccc(c23)cc(O)cc3 -MOL_01_021909,CCC(C1(C)C)C(N)N(C1)c2ccc(cn2)/C=C/c3cccc(C)c3 -MOL_01_021910,Cc1cc(C)c(c(C)c1)CCc2nnc(n2C)-c3ccc(cc3)NC(C)N -MOL_01_021911,CC(C)CCc1cc(ccc1N)C(C(N)C2)Nc(c23)cc(N)cc3 -MOL_01_021912,n1cccc(c12)CC(C)(C(=O)N2)C(=O)NCC3CCCC3 -MOL_01_021913,NCc(cc1)cc(c12)ccc(c2)C(=N)C3CCCN(C3)C(=N)c4cccnc4 -MOL_01_021914,CCc1cc(O)cc(c12)nc(nc2O)CN3CCCCC3 -MOL_01_021915,Nc(n1)cc(C(F)(F)F)c(c12)ccc(c2)NC(N)c3ccccc3NC(N)c4ccc(Cl)cc4 -MOL_01_021916,NCc(c1)c(CN)cc(c12)cc(N)c3c2CCN(C3)CCN4CCCCCC4 -MOL_01_021917,N=C(O)c1ccc(cc1)C(C)NC(=N)c2cc(Cl)cnc2Cc3ccc(F)cc3 -MOL_01_021918,COc1ccc(c(c1)CN)OCC(O)CCC(O)OC -MOL_01_021919,NCCCCNc1ccc(cc1C(C)(C)C)-c2cc(-c3ccc(C(N)N)cc3)ccc2NCCN -MOL_01_021920,c1ccccc1CN2C(C)=C(C(C)=N)C(NC2=N)CCc3ccccc3 -MOL_01_021921,CCNC(=N)NCC(Cc(c12)cccc2)N(C1)C(=N)C(N)Cc3c(C)cc(C)cc3C -MOL_01_021922,CCCCC12C(=C(N)C(N)CC1)c3c(C2)cc(N)cc3 -MOL_01_021923,Cc1cccc(c1)N2C(=N)C(Cl)=C(C2=N)N3CCN(CC3)c4ccccc4 -MOL_01_021924,O=C(C)c(n1)cc(C(=O)C)c(c12)ccc(c2)C -MOL_01_021925,Cc1cccnc1C(=N)Nc2ccc(Cl)cc2CN(C3=N)C(=N)c(c34)cccc4 -MOL_01_021926,c1ccccc1C2CC(N)N(C(C2)N)CCN3CCN(CC3)c4ccccc4Cl -MOL_01_021927,CCc1ccc(cc1)NC(=N)CN(C2(C)C)C(=N)C(=N2)c3ccc(F)cc3 -MOL_01_021928,c1ccccc1CC2(N(C(C)=N)CCC2)C(=N)N(C)Cc3ccccc3 -MOL_01_021929,NCc(c1)c(CN)cc(c12)C(CCC2(C)C)CCN3CCN(CC3)c4ccccc4CN -MOL_01_021930,NCc(c1)c(CN)cc(c12)c(cnc2C)Cc(c3)cnc(c34)cccc4 -MOL_01_021931,n1cccc(c12)c(Cl)cc(c2C)C(c3ccc(Cl)cc3)NC(N)c4cccnc4 -MOL_01_021932,Cc1ccc(c(N)c1C)C(N)(C2N)C(N)c(c23)cccc3 -MOL_01_021933,CNc1ccc(cc1)-c2cc(C)nc(n2)CCc3cccc(c3)C(N)N -MOL_01_021934,C1CN(C)CCC12CCCN(CC2)c3nc(N)nc(CN)c3N -MOL_01_021935,NCc1cnc(nc1)-n2nc(CNN)c(c2N)Cc3ccccc3 -MOL_01_021936,c1cccc(c12)C(CC(=O)CCl)Cc3c(N2C(=O)N)cccc3 -MOL_01_021937,CN(C)C(N)c1ccc(-c2cccnc2)c(c1)NCCc3ccccc3 -MOL_01_021938,Cc1ccc(c(n1)NO)CCC(=O)NC(C)c2ccc(Cl)c(Cl)c2 -MOL_01_021939,Cc1cc(C)n(n1)CC2CCC(CC2)NC(C)c3cc(C(C)(C)C)cnc3C -MOL_01_021940,CCc(c1)ccc(c12)ncc(c2N)C(N)CC(C)CC -MOL_01_021941,Cc(c1)ccc(c12)cc(O)c3c2n(nc3)CC(O)N4CCN(CC4)c5ccc(F)cc5 -MOL_01_021942,NC(N1)CN(C1=2)Cc3c(N2)ccc(c3)NCCCC(N)N(C4CCCCC4)CCN5CCNCC5 -MOL_01_021943,c1cccc(C(N)C2)c1CC23CCN(CC3)C(N)c4c(F)cccc4Cl -MOL_01_021944,CCCc1ccc(cc1)-c2ccc(nn2)CCC(N)NCC3CCCC3 -MOL_01_021945,CCc1ccc(cc1)NC(O)CC(O)n2nc(C)c(c2C)NNc3ccc(C)c(C)c3 -MOL_01_021946,Cc1cccc(C)c1CCc2cccn(c23)c(Cl)c(n3)N -MOL_01_021947,c1cccc(c12)CC(CCC(C)=N)N(C2)C(=N)C(N)Cc3c(C)cc(C)cc3C -MOL_01_021948,CCc1cnc(N)nc1NCCc2ccc(NC)cc2NC -MOL_01_021949,NCc1cccc(F)c1C(=N)NC2CCCC2Nc3ccc(C(F)(F)F)cn3 -MOL_01_021950,NCC(N)c(c1C)c(cccn2)c2c(c13)cccc3 -MOL_01_021951,CCC(=N)c1ccc(cc1)NC(=N)C(c2ccccc2)N(C3=N)Cc(c34)cccc4 -MOL_01_021952,c1ccncc1Cc2cc(CCC(C)N)cc(c2)CCNC(=N)c3ccccc3 -MOL_01_021953,CCc1ccccc1NC(=C)Cn2nnc(c2N)C(=C)Nc3ccccc3 -MOL_01_021954,Cc1ccccc1NC(=N)c2cccc(c23)c4c(C3=N)cccc4 -MOL_01_021955,Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(N)c2cccc(N)c2C(N)NC(C)(C)C -MOL_01_021956,c1cnccc1C(O)CCC(O)N2CCc(c23)cccc3 -MOL_01_021957,CNc1ccc(cc1)C(O)N2N=C(C)CC2c3ccccc3C -MOL_01_021958,Cc1cc(nc(n1)N)-c2ccc(c(c2)NO)CCC(C)C -MOL_01_021959,Cc1c(C)ccc(c12)c3c(c(n2)N)cnc4c3cc(CN)c(c4)CN -MOL_01_021960,CCc1cc(C(C)C)c(cc1N)Cc2cnc(nc2N)NC(=O)c3ccccn3 -MOL_01_021961,Cc1cccc(c12)c(nc(n2)N)C(O)NCc3nccc(c34)cccc4 -MOL_01_021962,CC(C)c1cccc(C(C)C)c1NC(N)CCc2nncc(c23)cccc3 -MOL_01_021963,COc1ccccc1C2CC(ON2)COc(c3)ccc(c34)c(C)cc(o4)=O -MOL_01_021964,CC(=N)c1cccc(c12)CC(C)(C)C(C)C2NC(=N)c3ccc(F)cc3 -MOL_01_021965,CC(C)(C)C(N)(N)c(c1)ccc(n12)nc3c2CCCC3 -MOL_01_021966,Nc1ncc(cc1)/C=C/c2c(ccnc2C)-c3ccc(cc3)C(N)N4CCN(CC4)C5CC5 -MOL_01_021967,c1cc(C)cc(c12)nc(o2)CCc3n(CC)c(nn3)CNc4ccccc4 -MOL_01_021968,Cc1ccc(cc1F)NC(=O)CCC(=O)c2ccc(=O)n(n2)Cc3ccccc3 -MOL_01_021969,Cc(c1)ccn(c12)c(c(n2)C)C(N)NCCCc3ccc(cc3)-c4ccccc4 -MOL_01_021970,CNC(N)c1ccc(cc1)NC(N)CNc2cccc(c23)CC(N3)(C)C -MOL_01_021971,c1ccccc1-c2nc(N)c(C)c(n2)CCCCN3CCCC3 -MOL_01_021972,c1cccc(c12)C(O)C(=C(C2O)NCCC)Nc3cccc(c3)CC -MOL_01_021973,N=1C=NC(=O)C(C12)=C(C)C(=C2)C(=O)Nc3cc(C)cc(C)c3 -MOL_01_021974,Cn1cc(Cl)c(n1)C(N)N(c2ccccn2)Cc3ccccc3 -MOL_01_021975,CC(C)(C)c1ccc(nc1)N2CCN(CC2)C(O)c3cc(Cl)c(N)c(Cl)c3 -MOL_01_021976,CNc(c1)cccc1C2N(C(=C)c(cc3)ccc3F)CCc(c24)cc(CN)c(c4)CN -MOL_01_021977,NCc1cc(N)c(Cl)cc1C(=O)CCCN2CCN(CC2)c3ccccc3F -MOL_01_021978,CNc(c1)c(NC)cc(c12)cc(CN)c(n2)CCC(N)NC(C)C -MOL_01_021979,CCc1ccc(cc1)NC(O)Cn2nnc(c2N)C(O)NCc3ccc(OC)cc3 -MOL_01_021980,CNc(c1Cl)ccc(c12)cc(cc2)C(N)C(C)N(CC3)CCC3(N)Cc4ccccc4 -MOL_01_021981,c1nccnc1-c2nc(O)c(O)c(n2)C(O)NC3CCCCC3 -MOL_01_021982,c1ccnn1CCNC(=O)c2ccc(cc2)CC3CCN(CC3)C(=O)C4CC4 -MOL_01_021983,c1ccoc1-c2nnc(n2C)CCc3nc(no3)-c4ccccc4 -MOL_01_021984,Nc(c1)cc(n12)nc(cc2O)Cn3cnc(c34)cccc4 -MOL_01_021985,O=C(O)c1ccc(cc1)NC(=O)CCc2n(CC)c(nn2)CNC(=O)Cc3ccc(OC)cc3 -MOL_01_021986,Oc1ccc(cc1)CC2NC(=C)N(C2=O)Cc3ccccc3 -MOL_01_021987,c1cccc(c12)nc(C(C)C)c(n2)Nc3cc(CN)c(CN)c(c3)CN -MOL_01_021988,NC(N1)Cc(c12)cc(cc2)/C=C/CCN3CCC(CC3)Cc4ccccc4 -MOL_01_021989,c1ccccc1CC(N2C(C)=N)C=CC2(C)C(=N)NCc3cc(F)cc(C(F)(F)F)c3 -MOL_01_021990,C=CCCc1ccc(cc1CN)C2C(CN)=C(N)Cc(c23)c4c(cc3)cccc4 -MOL_01_021991,CCc(n1)ccc(c12)c(ccc2CN)C(O)Nc3c(Cl)cncc3Cl -MOL_01_021992,CCCC(=N)Nc1ccc(cc1)C(N2)CC(=N)c(c23)c(N)c(C)c(c3C)NC(=N)CCC -MOL_01_021993,CCCCN1CCC(CC1)CCC(O)c2cc(CN)c(NC)c(c23)CCCC3 -MOL_01_021994,CNc1c(C)nc(C)c(c1N)-c2ccc(cc2)Nc3cccc(C(F)(F)F)c3 -MOL_01_021995,c1cccc(c12)ccc3n2c(cc3CN)C(N)c4cccnc4 -MOL_01_021996,Cc1ccc(C)c(c1)-c2nc(N)nc(C)c2N -MOL_01_021997,O=C1CC(C(=O)N1)Cc2ccc(cc2)CCCN(C3=O)CCc(c34)cccc4 -MOL_01_021998,CC(C)(C)C(C)NC1=C(C(N)=C1N)Nc2ccnc(n2)Nc3ccc(cc3)-c4ccccc4 -MOL_01_021999,Cc1ccc(C(N)N)cc1NC(N)CCc2ccc(cc2)C34CC5CC(C3)CC(C5)C4 -MOL_01_022000,CC(C)Cc1ccccc1N2CCN(CC2)Cc3cccc(c3)CN4CC(=O)NC4=O -MOL_01_022001,c1cccnc1/C(CN)=C\c2ccc(c(N)c2)Oc3ccccc3 -MOL_01_022002,CC(=O)c(c1)ccc(c12)ncc(c2C)C(=O)NC3CCCCC3 -MOL_01_022003,c1cccc(c12)C(=N)N(C2=N)n3c(nnc3CC)CCC(=N)c4ccccc4 -MOL_01_022004,Cc1ccccc1-c2cn(cc2CN)-c3ccc(C(C)N)c(C)c3 -MOL_01_022005,Nc1cnc(cn1)-c2ccc(C(C)(C)C)c(c2)NCc3ccccc3 -MOL_01_022006,Clc1ccc(cc1)CC(=N)NC(Cc2ccc(Cl)cc2)C(=N)NC3CCCNCC3 -MOL_01_022007,CC(C)(C)C(C)C1CCC(=O)N1c2ccc(CN)c(c2)C(C)(C)C -MOL_01_022008,O=C1N=Nc(c12)cc(=O)n(n2)-c3ccc(Cl)cc3 -MOL_01_022009,CCN1C(O)=C(O)N(CC)c(c12)cc(N3CCCCC3)c(c2)NC(O)c4ccccc4ON -MOL_01_022010,Cc1c(N)nc(c(N)c1N)Nc2cccc(c23)cncc3 -MOL_01_022011,Nc1c(C)ccc(c12)N(CC2)C(N)Nc3cccnc3 -MOL_01_022012,CNc1c(C(C)(C)C)nn(C)c1C(O)N2CCCCCC2 -MOL_01_022013,Fc1ccccc1C(=O)CCC2CC(=O)NC2CN3CCN(CC3)c4ccccc4 -MOL_01_022014,CCCN(CCC1)C(O)C12CCN(C2)c3nccc(n3)CN -MOL_01_022015,C1CCCCC1(CN)c2cc(F)cc(c2)CCc(n3)ncc(c34)cccc4 -MOL_01_022016,Cc1cccc(c1)OCC(N)NCc2c(N)nn(C)c2N(C)C -MOL_01_022017,CC(N)CNC(=CC1=C)N=C(N12)c3c(C=C2)cccc3 -MOL_01_022018,Cc1cc(F)cc(C)c1N2CCN(C(N)C2N)Cc3ccc(F)cc3C(F)(F)F -MOL_01_022019,CNc(c1)ccc(c12)cc(c(n2)N)C(N)(N)c3ccccc3F -MOL_01_022020,CNCCNCC(N)c(c1)cc(C(C)(C)C)c(c12)NCC2(C)C -MOL_01_022021,c1ccnc(c12)n(C(N)(N)N)cc2C(=C)NC -MOL_01_022022,CCc(n1)ccc(c12)cccc2CCC(N)NCC(N)CN(C3)CCc(c34)cccc4 -MOL_01_022023,c1ccccc1CCN(C2=N)C(=N)N(C23)CCN(C3)C(=N)Nc4ccccc4-c5ccccc5 -MOL_01_022024,c1ncnn1CC(C)N(N=N2)C(C)=c(c23)cc4c(c3)=C(C)N(N=N4)C5CC5 -MOL_01_022025,Cc(c1)ccc(c12)ncc(c2N)Cc3cncc(c34)cc(CN)c(c4)CN -MOL_01_022026,c1cccc(c12)nc(N)c(c2C)C(N)NC3CCN(CC3)Cc4ccccc4 -MOL_01_022027,C1CCC1CCc2cc(C(=O)CC)cc(c2)C(=O)NC3CCCNC3 -MOL_01_022028,C1CCCCC1N(C2O)CC(O)N(C)c(c23)cccc3 -MOL_01_022029,Nc1cnn(c12)c3c(nn2)ccc(c3)CCc4ccccc4 -MOL_01_022030,CC(N)c1cccc(c1)CCc(n2C)nc(c23)ccc(c3)Cc4ccc(Cl)cn4 -MOL_01_022031,NCc(c1)ccc(c12)nccc2CCNC(N)c3ccc(CC(F)(F)F)cc3 -MOL_01_022032,C1NC(C)(C)Cc(c12)c(CN)c(N)nc2CC -MOL_01_022033,Cc1cccc(c1C)N2CCN(CC2)C(=N)C3CC(=N)N(C3)C4CCCC4 -MOL_01_022034,NCC1(CN)C(F)(C(F)=C2F)C(C=3C12F)=CCCC3 -MOL_01_022035,COc1ccc(cc1)-c2nc(c(o2)C)CC(O)CC(=O)NCc3cccnc3 -MOL_01_022036,C1CCn(c12)cc(n2)CNC(=O)c3ccc(cc3)CN4CCCCC4 -MOL_01_022037,CNc1c(N)ccc(c12)cc3c(n2)cc(cc3)NC(=O)CNN -MOL_01_022038,CCc1ccc(cc1)C2=C(C(NO)C(O)C2)c3cc(OC)c(OC)c(c3)OC -MOL_01_022039,O=C(N)c(c1C)c(C)nc(c12)cc(Cl)cc2 -MOL_01_022040,Fc1ccc(cc1)CN(C2)CC(c(c23)cn(n3)CN)NCNC4CC4 -MOL_01_022041,Cc1ccc(c(c1)CN)-c2cc(ccn2)CNC3CCCC3 -MOL_01_022042,CCC(CC)C(=O)Nc1cc(NC(=O)C)c(N)cc1CCC(=O)C -MOL_01_022043,Cc1cccc(C)c1Cc2nc(cn(c23)ccn3)Nc4ccc(cc4)CCN -MOL_01_022044,C1CC(CN)Cc(c12)c(N)nc(C)c2CN -MOL_01_022045,Nc1ccc(cc1)-c2nnc(n2C)CCC(=O)NC3CCCC3 -MOL_01_022046,Clc1ccc(cc1)C(C)(c(c23)cccc3)N(C2N)Cc4cccnc4 -MOL_01_022047,c1ccncc1NC(=C)c2cccc(c23)cc(cc3)Cc4ccnc(c45)cc(CN)c(c5)CN -MOL_01_022048,CCNC(N)c(c1N)cn(CC)c(c12)ccc3c2ccc3 -MOL_01_022049,Clc1ccccc1CNC(N)c(c2)ccc(c23)C=CC(N)N3Cc4ccccc4 -MOL_01_022050,Cc1ccnc(n1)CC2CC(=O)N(C2=O)c3ccc(C(C)C)cc3 -MOL_01_022051,NCc1ccc(cc1C(F)(F)F)-n2nc(N)c(c2N)Cc3ccc(F)cc3 -MOL_01_022052,c1ccccc1C(=O)NCCc2nnc(n23)ccc(n3)CCC(=O)N4CCCC4 -MOL_01_022053,NCc1ncc(cc1)C(=C)Nc2ccc(cc2Cl)C3CCCNC3 -MOL_01_022054,Nc1cccc(c12)C(c3c(C2N)c(N)ccc3)C(N)Cc4ccc(C(F)(F)F)cc4 -MOL_01_022055,c1ccccc1-c2ccc(nc2)NC(=NC3)CC34C5CCN(C4)CC5 -MOL_01_022056,Cc(c1)ccc(c12)CC\C=C\CCCc3c(CN)ncc(n3)NC(N2)O -MOL_01_022057,CCCCc1ncccc1CNc2nnc(C)c(C)c2CN -MOL_01_022058,C1CCCC1NC(N)c(c2)ccc(c23)Cc4c(cccc4)C(N)N3Cc5ccccc5 -MOL_01_022059,COc1ccccc1OCC(O)Nc2ccccc2C(O)N3CCCCC3 -MOL_01_022060,CNc1ccc(cc1)C(N)c2cc(CN)c(n23)c(C)cc(c3)C -MOL_01_022061,c1cccc(c12)C(=N)N(C2N)c3ccccc3-c4ccccc4 -MOL_01_022062,CNc1ccc(c(c1)NC)C(N)/C=C/c2c(NC)cc(NC)c(c2NC)C3=CCN(C)CC3 -MOL_01_022063,O=C(C)c(n1)cc(C(=O)C)c(c12)c(Cl)cc(Cl)c2 -MOL_01_022064,Cc1cc(O)nc(n1)CCC(O)NC2CCCc(c23)cccc3 -MOL_01_022065,Nc1ccc(n12)ncc(c2O)C(O)NCc3ccccn3 -MOL_01_022066,c1cccc(c12)nc(nc2C)CCCC(=N)N(C)CC(=N)Nc3cccc(c3)CN -MOL_01_022067,Nc1ccc(cc1)C2c(cc(O)cc3)c3C(C24)=NCCC4 -MOL_01_022068,O=C(N1)CCc(c12)ccc(c2)NC(=O)C3CCN(CC3)c4ccc(F)c(F)c4 -MOL_01_022069,CN(C)CCNC(O)c1ccc(N)c(c1)C(C)(C)C(O)Nc2ccc(CN)cc2 -MOL_01_022070,Cc1nc(C)ncc1NC(=C)c(c2)ccc(c23)c(=C)n(c3=C)CCC(C)C -MOL_01_022071,Cc1cc(C)c(c(C)c1)CC(N(C)C)C(=N)N(C(C2)C(=N)N)Cc(c23)cccc3 -MOL_01_022072,Clc1cnc(cc1)N(C)CC(O)N2CCN(CC2)c3cnccn3 -MOL_01_022073,CC(C)c1cccc(C(C)C)c1N(C2N)Cc(c23)c(N)ccc3 -MOL_01_022074,CC(O)Oc1ccc(cc1)C(C(=N2)O)(Oc(c23)cccc3)c4ccc(cc4)OC(C)O -MOL_01_022075,OC1NC(O)NC(O)C12c3c(CCC2)ccc(Cl)c3 -MOL_01_022076,CCCc1ccc(c(c1)NC)NCCNCCNc2cccc(c23)ccc(n3)C -MOL_01_022077,NCCN(C1)C(=N)c(c12)ccc(c2C(C)C(C)=N)C3(C)CCCC(C)(C)C3 -MOL_01_022078,Fc1ccccc1NC(=O)CCc2n(CC)c(nn2)CNC(=O)COc3ccc(C(C)C)cc3 -MOL_01_022079,Fc1ccc(cc1)C(=O)NC(CCC(=O)N)C(=O)CCC(=O)NCc2ccc(F)cc2 -MOL_01_022080,c1cccc(c12)c(cc(c2)N)CCCCC(N)N3CCN(CC3)c4ccccc4F -MOL_01_022081,CC(=N)Nc1ccc(c(C)c1)-c2ccc(cc2)N(Cc3cccnc3)C(=N)c4ccc(N)cc4N -MOL_01_022082,CC1=CC(N)C(C(C)C)=CC\1=C(\c2cc(C(C)C)c(N)cc2C)c3ccccc3C(N)N -MOL_01_022083,Cc1ccc(c(C)c1)C(C)(Cn2cncn2)C(C)NC3CC3 -MOL_01_022084,NCc(c1)c(CN)cc(c12)nc(cc2N)C(N)NCCC3CCN(CC3)Cc4ccccc4 -MOL_01_022085,CCn1cnc(c12)c(ncn2)CCCc3ccccc3 -MOL_01_022086,CCN1CCN(CC1)CCCNC(O)c(c2)ccc(c23)CC(\C(N3)O)=C\c4cccc(C)c4 -MOL_01_022087,COc1ccc(c(c1)OC)/C=C(/CN)C(N)O -MOL_01_022088,CC(=O)c(n1)cc(n12)c3c(nc2C)cccc3 -MOL_01_022089,NC(N)c1cc(ccc1)NCc(n2C)nc(c23)ccc(c3)Nc4cccc(C(F)(F)F)c4 -MOL_01_022090,Fc1ccccc1NC(C)CCc2nnc(n2C)CNC(C)c(c3)ccc(c34)CCC4 -MOL_01_022091,N=1C=NC(=O)C(C12)=C(C)C(=C2)C(=O)NCc3cccc(c3)CN -MOL_01_022092,Cc1ccccc1N2CCN(CC2)C(N)c3ccccc3NC(N)c4ccccc4C(N)N -MOL_01_022093,NCc1ccc(cc1C)Cn2ccc(c23)cc(CN)c(CN)c3CN -MOL_01_022094,CC(C)(C)c1ccc(cc1)C(=NC2(C)C)C(N)N2CC(N)Nc3ccc(ON)c(Cl)c3 -MOL_01_022095,c1ccccc1C(C)NC(=O)C(C=C2)=C(C2=3)C(=O)N=CN3 -MOL_01_022096,CCCCCCc(cc(c12)cccc2)n1C(N)CC3(CC3)CC(C)N -MOL_01_022097,NCc1cnc(o1)C(O)C(C2)CCc(c23)cc(cc3)-c4ccccc4 -MOL_01_022098,NCc1ccc(cc1)C2(C)CC(C)C(c3cc(CN)c(CN)c(c3)CN)=C2Cc4ccccc4 -MOL_01_022099,NCC(=O)c1ncccc1N2CCCC2 -MOL_01_022100,CCc1c(N)cc(cc1)-c2c(c(=C)[nH]c2=C)-c3cc(CC)c(CC)c(c3)CC -MOL_01_022101,Nc1ccccc1Cc2nn(c(nn3)N)c3c(c24)cccc4 -MOL_01_022102,Cc1ccc(cc1C)NC(=N)CCC(=N)c(c2)ccc(c23)N4C(C(N3)=N)CCC4 -MOL_01_022103,CCNCCNc1cc(C)c(c(C)c1)-c2cccc(c2)CNc(c3)ccc(c34)C(NC4)CC(N)N -MOL_01_022104,CCCC(=O)c(n1)nc(C)c(c12)cc3c(n2)ccc(c3)C -MOL_01_022105,C1CCCCN1C(N)c2ccc(cc2)NC(N)C3(CCCC3)c4ccccc4 -MOL_01_022106,CC1(C)CCN(C(N)N1)c2ccc(cn2)/C=C/c3ccc(F)c(F)c3 -MOL_01_022107,C1CCC1CNC(N)c2ncccc2NC(N)c3ccnc(c34)cccc4 -MOL_01_022108,Cc1cc(c(C)n1C)C(=N)CCC(=N)CCCN(C2=N)C(=N)c(c23)cccc3 -MOL_01_022109,CCc1ccc(c(c1)CC)C(O)(C2O)CCc(c23)cc(O)cc3 -MOL_01_022110,CN(C)CCNC(=C)c1cnc(C)c(c12)cc3c(n2)c(C)ccc3 -MOL_01_022111,CCc1ccccc1CNC(O)CCN(C(O)CC2)c(c23)cccc3 -MOL_01_022112,O1COc(c12)ccc(c2)/C=C3\CC(=C)N(C3O)CCC(O)Nc4cccc(c4)C(O)O -MOL_01_022113,c1ccccc1C(=C)NCCc2nnc(n23)ccc(n3)CCC(=C)N4CCCCC4 -MOL_01_022114,Cc1cccc(c1)CN(C2=O)C(=O)N=C(C2=3)N=CN3 -MOL_01_022115,CNc1ccc(Cl)nc1N2CCCC2C(C)O -MOL_01_022116,N1CNc(c12)cc3c(c2)NC(CC3N)c4ccccc4F -MOL_01_022117,c1cccc(c12)C(O)C(O)N2CN(c3ccccc3)c4ccccc4 -MOL_01_022118,CCn1nc(CC(C)C)cc1C(N)NCc2c(C)cc(C)nc2CN -MOL_01_022119,Cc1c(Cl)cccc1Cc(c2)ccc(c23)ncc(c3N)C(C)N -MOL_01_022120,NC1CCC(CC1)CNC(=N)C2CCCN2C(=N)C3Cc(c34)cccc4 -MOL_01_022121,NCCCC(C)Nc1cc(CN)cc(c12)ccc(n2)CCc3ccccc3 -MOL_01_022122,N=C1N=C(N)N=C(C1=2)C(=CN2)Cc3cccc(Cl)c3 -MOL_01_022123,NCc1ccc(cc1)C(=O)NCC(=O)CCC(=O)NC2CCCC2 -MOL_01_022124,NC(N)(N)c1cc(N)ccc1CCC(C)CN2CCN(CC2)c3ccccc3CN -MOL_01_022125,c1cccc(c12)CCCN2C(=N)CCC(N)NCCCc3ccccc3 -MOL_01_022126,CCN(CC)c1cc(C(C)(C)C)c(c(n1)N)C(N)C(C)(C)C -MOL_01_022127,CCCC(N)C1=C(C)NC(C)=C(C(N)CCC)C1c2cccc(Cl)c2 -MOL_01_022128,CC(C)(C)CCN(C)C(=O)C1CC=CN1C(=O)CC(C)(C)C -MOL_01_022129,c12nc(=O)c3ccc(cc3)c4c(cc(cn4)CC(O)CO)ccc5cc(c1)c(n2)cc5 -MOL_01_022130,Cc1ccc(cc1)-c2cc(OC)cc(c2)C(C)/C=C/c3c(C)nc(N)nc3N -MOL_01_022131,C1CCCC1N(C2)C(=N)c(c23)ccc(c3)NCc4cccc(c4)-c5cc(F)cc(c5)C(N)N -MOL_01_022132,CCOc1nc(cc(N)c1CN)C(O)NCc2cnccc2Cl -MOL_01_022133,c1cccc(c12)ncn2Cc3nnc(n3C)CCC(=O)CC(=O)Nc4ccccc4 -MOL_01_022134,Cc1cccc(c1)NC(=N)c2cccc(c23)c4c(C3=N)cccc4 -MOL_01_022135,CNc1cccc(c1)CNC(N)C2CCN(CC2)c3cnccn3 -MOL_01_022136,O=C(N=1)N=c(c12)cccc2OCC(O)CNCCc3ccc(cc3)NC(=O)Cc4ccccn4 -MOL_01_022137,NCc1cc(ccc1)NC(C)CCCCc(c2)ccc(c23)CNC3 -MOL_01_022138,c1cccc(c12)ncn2CC(=O)CCC(=O)N3CCCCC3 -MOL_01_022139,C1CCC(C12)CC(=O)N2c3ccc(cn3)/C=C/c4cccnc4 -MOL_01_022140,c1cccc(c12)nc(N)c(c2C)C(N)NCC3CCN(CC3)Cc4ccccc4 -MOL_01_022141,Clc1ccccc1C(C(N)N)(CCN(C(C)C)C(C)N)CCN2CCCCC2 -MOL_01_022142,Oc1c(C)nnc(n12)cc(n2)CCC(O)N3CCC(C)CC3 -MOL_01_022143,CC(=O)Nc1ccc(cc1)C(C2)N=NC2(C)C(=O)Nc3ccc(CN)c(c3)C(C)(C)C -MOL_01_022144,CCC(=O)c1ccc(C)c(c1)NC(=O)C(C2)CCc(c23)cccc3 -MOL_01_022145,Cc1ccccc1C2CC(=N)N(C2=N)CCN3CCN(CC3)c4ccccc4F -MOL_01_022146,NCc1ccc(cc1)CC(=O)NC2CCc(c23)nccc3 -MOL_01_022147,C1CC1CC(=N)N(CC2)C2(C)C(=N)Nc3cc(CN)ccc3CN -MOL_01_022148,CCOC(=O)c1cnc(CC)nc1NCCOC -MOL_01_022149,Cc1ccc(cc1)NC(N)CN(C)C(N)Cn2c(N)cc(c23)cccc3 -MOL_01_022150,CCC(C)NC(=O)c(c1=O)cnc(n12)CCC2 -MOL_01_022151,c1ccccc1CN2C=C(C(=N)NC)C(C(=C2)C(=N)NC)c3ccc(NC)c(c3)NC -MOL_01_022152,Cc1nccn1C(NC)c2cccnc2Cc3ccccc3 -MOL_01_022153,CC(C)c1ccc(cc1)-n2ncc(Cl)c(c2=N)Cc3cc(CN)cc(c3)CN -MOL_01_022154,C1CC1NC(=O)NC2CCN(C2)c3cccc(c34)CCC4 -MOL_01_022155,NC(=O)c1ccc(cc1)Nc2nc(N)c(NO)c(n2)CCC3CCCCC3 -MOL_01_022156,CC(C)NC(=N)C1(C)CCN1C(=N)C2(CCCC2)c3ccccc3 -MOL_01_022157,C1CCc(c12)ccc(c2)C(=O)NCC(C)(C)NCC(=O)N3CC(F)CC3CN -MOL_01_022158,CC(N)CCNC(N)c(c1C)nc(CN)c(c12)cc(cc2)Oc3ccc(F)cc3Cl -MOL_01_022159,Nc(c1)cc(N)c(c12)C(N)C(\N2)=C\c3ccc(cc3)C4CCCCC4 -MOL_01_022160,C=1C=CN(C)c(c12)cc(nc2=C)-c3ccc(N)cc3 -MOL_01_022161,Cc1ccc(cc1)C(CCN(C)C)NC(=N)c2cccc(c2)-c3ccc(CN)cc3 -MOL_01_022162,C1CC1Cn2ccc(c(c2=N)CN)N3CCC(CC3)c4ccccc4 -MOL_01_022163,Cc1ccc(cc1)NC(=O)c2ccc(nc2)CCC(=O)Nc3cccnc3 -MOL_01_022164,c1cccc(c12)CC(C)C(C2)N3CCC(CC3)C(=N)c4ncccc4CN -MOL_01_022165,Cc(n1)ccc(c12)cccc2CCC(C)NCCN -MOL_01_022166,c1cccc(c12)CCN(C2)CC(N)CNc3cccc(c3)-c(c4)ccc(c45)NCCN5 -MOL_01_022167,C1CCCCC1Cc2ccc(cc2CN)-c3ccnc(c3)Nc4ccc(cn4)C(=O)N -MOL_01_022168,Cc1cc(N)nc(c12)cc(cc2)NC(N)C(N3)CNc(c34)cccc4 -MOL_01_022169,CN1C(O)=C(O)N(C)c(c12)cc(N3CCOCC3)c(c2)NC(O)c4ccccc4C(F)(F)F -MOL_01_022170,CCCCCc1cc(C)c(c(C)c1)N(CC)C(N)C(C)N -MOL_01_022171,CC(=N)c1ccc(cc1)CCC(O)CN2CCN(CC2)c3cccc(C)c3C -MOL_01_022172,CCc1cc(CN)ncc1CCc2cc(C(C)CN)cn(c23)ccn3 -MOL_01_022173,c1ccccc1-c2cc(CC)cc(c2)C(N)N3CC(N)Nc(c34)cccc4 -MOL_01_022174,Nc(c1)c(N)cc(c12)CC(CN2)c(c3)ccc(c34)NCN4 -MOL_01_022175,N1CNc(c12)cc(cc2NC)CN(C3)CCNc(c34)ccc(c4)CN5CCCCC5C(N)NC -MOL_01_022176,CCCCC(=O)NC(C(C)(C)C)(C(=O)CCC)Nc1cc(C)ccn1 -MOL_01_022177,Cc1cccc(c1)C2CCN(CC2)C(N)n3cc(N)c(c3C)CCCN -MOL_01_022178,NCc1ccccc1CN(C(=C)C(C)C)CCCC(C)Nc2cc(CN)cc(c23)cccn3 -MOL_01_022179,NCc1ccc(cc1C)C(O)CCc(n2)cc(O)n(c23)c(C)nc3 -MOL_01_022180,CC(C)c(c1)c(N)nc(c12)cc3c(c2C)cc(nc3)C(C)C -MOL_01_022181,CC(=O)Nc1cccc(c1)CCC(C)Cn2cnc(c23)cccc3 -MOL_01_022182,CC(C)CC(=N)Nc1cc(C)cn(c1=N)Cc2c(F)cccc2Cl -MOL_01_022183,NCc1ccccc1-n2cc(nn2)CNc(c3)ccc(c34)nc(N)cc4 -MOL_01_022184,C1CCCC1C(O)Nc2c(N)nn(C)c2Cc3cccnc3 -MOL_01_022185,NCc1ccc(cc1)C(C)CC(N(C)CC2)c(c23)cc(CN)c(c3)CN -MOL_01_022186,Cc1nc(ccc1)/C=C/c2cc(ccc2CC)C(N)N3CCN(CC3)c4ccccn4 -MOL_01_022187,c1cc(C)cc(c12)N(O)C(=C(C)N2O)C(=O)/C=C/c3ccccc3 -MOL_01_022188,CCCCNCCCCNC(=O)c1cc(N)c(NC(=O)C)cc1CN -MOL_01_022189,CCc1ccc(cc1)C2CC(=CC(=N)C2C(=N)CC)Nc3ccc(F)cc3F -MOL_01_022190,c1ccccc1NC(=O)Nc2ccc(cc2)NC3C(=O)Nc(c34)cccc4 -MOL_01_022191,c1ccccc1C(c2ccccc2)CC(=N)NCCCn3nc(ccc3=N)-c4ccncc4 -MOL_01_022192,C1CCCCN1CC(=N)N(C2c3ccc(Cl)cc3)CCc(c24)cc(CN)c(c4)CN -MOL_01_022193,CN(C)CCNc1ccc(Cl)c(c12)C(N)c3c(C2N)c(Cl)ccc3NCCN(C)C -MOL_01_022194,Clc1ccc(cc1)NC(=N)C2CCCN(C2)C(=N)c3cccc(c3)-n4cccn4 -MOL_01_022195,CC(C)C(C(N)N)NC(N)c1cccc(n1)-c2ccc(cc2)Nc3ccc(F)cc3 -MOL_01_022196,Cc(c1)ccc(c12)occ(c2=O)C3=NC(CC3)c4ccccc4 -MOL_01_022197,CC(=N)c1ccc(cc1)CNCc(c2)ccc(c23)n(C)c(=N)n3C -MOL_01_022198,CCNC(N)c(c(n1)N)cc(c12)cc(c3c2cccc3)CCC(N)c4ccccc4 -MOL_01_022199,CC(C)(C)C(N)C(=C)N(C1)CCc(c12)cc(CN)c(c2)CN -MOL_01_022200,CN(C)CCc1cc(CN)c(cc1CN)-c2cccc(n2)N -MOL_01_022201,CC(=O)c1ccc(cc1)C(N=2)=CC(C23)=NC(C)=NC3=O -MOL_01_022202,c1cccc(c12)CC(CC2)CNCCCNc3ccncn3 -MOL_01_022203,C1CCCC1CC(N)c2c(C)c(C)c(cc2)NCCCCNc3ccccc3C(N)N -MOL_01_022204,NCc(c1)c(CN)cc(c12)nc(nc2C)CN3CCC(CC3)Cc4ccccc4 -MOL_01_022205,Cc1ccc(cc1)NC(O)c2cc(ncn2)N(C)C3CCCCC3 -MOL_01_022206,Cc1ccc(cc1)C(O)NCCc2nnc(n23)ccc(n3)CCC(O)N4CCCC4 -MOL_01_022207,NCc1ccc(cc1)C(C(C)C)NCc2cccc(c2)CN -MOL_01_022208,CCCn(c1=N)ccc(c12)c(ccc2)CCC(=N)NCc3ccccc3Cl -MOL_01_022209,NCc1ccc(Cl)cc1-n2cc(nn2)C(O)c3ccccc3 -MOL_01_022210,CC1CCCCC1NC(=O)CCc2n(CC)c(nn2)CNC(=O)Cc3ccc(OC)cc3 -MOL_01_022211,c1cnccc1C2=CC(=C)N(C)C(=N2)N3CCNC(C3)c4ccc(CC)cc4 -MOL_01_022212,NCc(c1)c(CN)cc(c12)c3c(cc2CCNC)c4c(nc3)cc5c(c4)CCC5 -MOL_01_022213,Clc1ccc(cc1)C(=C)C2=NCCc(c23)cc(CN)c(c3)CN -MOL_01_022214,C=C1C/C(C(=O)N1)=C/c2ccc(cc2)/C=C/C(=O)c3ccccc3F -MOL_01_022215,NCCNc1ncc(cc1N)/C=C/c2ccc(N)cc2 -MOL_01_022216,CNc(c1)ccc(c12)CC(CN)C(N2)c3cc(NC)c(NC)c(c3)NC -MOL_01_022217,NCc1ccc(cc1CN)-c2cncc(CN)c2Nc3cccc(Cl)c3 -MOL_01_022218,Nc(c1)cc(N)c(c12)CC(CN2C)C3=NCCN3 -MOL_01_022219,Cc1cc(C)c(c(C)c1)-n2nnnc2CCC(O)Nc3ccc(C(N)O)cc3C -MOL_01_022220,NCc1cnc(cn1)NC(C)Nc2cc(Cl)ccc2CC3CCNC3 -MOL_01_022221,C1CCCC1CNC(=C)c2ccc(nn2)NC(=C)N(C3)Cc(c34)ccnc4 -MOL_01_022222,CC(C)N(C(C)C)CCC(C(=N)N)(c(cc1Cl)ccc1)CCN2CCCCC2 -MOL_01_022223,c1ccccc1N(C(C)=N)c(cc(c23)C(=N)NC3=N)c(c2)Nc4ccccc4 -MOL_01_022224,c1cccc(c12)nc(C(N)CCC)c(n2)NCc3ccc(CN)cc3 -MOL_01_022225,Cc1cc(C)c(C(=O)CN)c(c1Cl)CCc2nccn2Cc3ccccn3 -MOL_01_022226,c1ccncc1NC(=C)c(c2)ccc(c23)ccc(c3)Cc4ccnc(c45)cc(CN)c(c5)CN -MOL_01_022227,CC(=O)Nc1ccc(cc1)CCC(=O)c2cc(C)n(c2C)CC(C)(C)C -MOL_01_022228,c1cccc(c12)ccc(c2)C(CCN(C)C)NC(=N)CCc3ccc(CN)cc3 -MOL_01_022229,CC(N)N1CCN(CC1)c2ccccc2NC(N)CCc3ccc(Cl)cc3Cl -MOL_01_022230,c1ccnc(c12)c(C)c(cc2NC)Cc(c3C)cc(NC)c(c34)cccn4 -MOL_01_022231,NCc1ccc(cc1)CC(=O)N2CCNCC2CCc3cccnc3 -MOL_01_022232,Nc(n1)ccc(c12)cccc2CC3CCN(C3)Cc4ccccc4 -MOL_01_022233,Cc1ccc(cc1)N2C(N)C(Cl)=C(C2N)N3CCCCCC3 -MOL_01_022234,NCc1cc(CN)cc(c12)CC(=CC2(C)C(F)(F)F)c3ccccc3 -MOL_01_022235,CN(C)CCCc1cc(c2c(c13)cc(CN)c(c3)CN)c4c(nc2)cc5c(c4)CNC5 -MOL_01_022236,Cc1cccc(C)c1NC(=C)Cn2nnc(c2N)C(=C)NCc3ccc(C)cc3 -MOL_01_022237,Cc1ccccc1Nc2ncccc2C(O)N3CCOCC3 -MOL_01_022238,NCc1ccccc1-n2ccnc2CCC(N)NCC3CCCC3 -MOL_01_022239,C12CCC(CC1)NC2C(=N)NC(CN)Cc3ccc(cc3)-c4ccnc(c4)CN -MOL_01_022240,Oc1cc(ccc1)-c2c(O)c(ON)ccc2C(=N)Nc3ccc(cc3)OCCN4CCCC4 -MOL_01_022241,Cc1ccc(cc1)CNC(=O)c(c2)ccc(c23)cc(c(=O)[nH]3)N4CCOCC4 -MOL_01_022242,CNc1ccc(cc1NC)Cc2ncc(C(N)N)c(c23)cc(NC)c(c3)NC -MOL_01_022243,Cc1ccccc1C(N)N(C2CCCC2)Cc(n3)nc(C)c(c34)cccc4 -MOL_01_022244,Cc1nc(N)nc(N)c1/C=C/C(C)c2cc(ON)cc(c2)-c3ccc(C(C)(C)C)cc3 -MOL_01_022245,CN(C1)CCc(c12)nc(c(c2)CN)CCC(=O)Nc3ccc(Cl)cc3 -MOL_01_022246,CCOc1ccc(cc1)-c2nnc(o2)CCC(O)Nc3cccc(c3)CN -MOL_01_022247,CC(O)c1ccc(cc1C)-n2cc(CN)c(c2)-c3cccc(c3)CN -MOL_01_022248,c1ccccc1Cn2c(C)c(cc2C)C(N)CCc3ccc(cc3)NC(C)N -MOL_01_022249,CC(C)(C)C(=N)c1cccnc1NCCCN2CCN(CC2)c3ccccc3CN -MOL_01_022250,CCc1ccccc1NC(=N)c2cn(C)c(=N)c(c23)cccc3 -MOL_01_022251,Cc1ccc(cc1C)NC2CCCN(C2)C(N)c3ccc(CN)nc3CN -MOL_01_022252,CCC(=N)NC1CCN(CC1)CCCN2C(=N)CCc(c23)cccc3F -MOL_01_022253,CCCc1ncccc1C(=O)NCC(C)c2ccc(C)c(C)c2 -MOL_01_022254,CN1CCCC1CNC(=O)CCc2ccc(CCC(F)(F)F)c(c2)CN -MOL_01_022255,N=C(N)C1CCCCN1C(=N)c2ccc(F)c(c2)-c3ccc(cc3)-c4ccccc4 -MOL_01_022256,c1cccc(c12)C(=O)c3c(cco3)C2NOCCN4CCOCC4 -MOL_01_022257,Fc1nc(ccc1)N(CC)CCNC(O)c(n2)cnc(c23)cc(N)cc3 -MOL_01_022258,c1cccc(c1C23C)CC(N2)NC(C3)=N -MOL_01_022259,c1cc(Cl)cc(c12)ncc(c2C)C(O)Nc3ccccc3 -MOL_01_022260,O=C(C)c(n1)cc(C)c(c12)c(N)cc(c2)C -MOL_01_022261,C=C(N)CCc1ccc(cc1)C2NC(=C)NC(C)=C2C(=C)CCC -MOL_01_022262,CC1CCN(CC1)c2ccc(cn2)-n3nc(N)cc3N -MOL_01_022263,Nc1ccc(nn1)N2CCCC(C2)NCc(c3)ccc(c34)CCCC4 -MOL_01_022264,FC(F)(F)C1(N)CCN(CC1)C(C(C)C)CNC(N)C2(CCCC2)c3ccc(Cl)cc3 -MOL_01_022265,Cc1cccc(c1)-n2cc(cc(CN)c2=N)C(=N)c3cc(Cl)ccc3C -MOL_01_022266,CCCCCCNC(O)c(c1C)cnc(c12)c(CC)ccc2 -MOL_01_022267,O=C(N1)CCc(c12)cc(cc2)NCc(c3)ccc(c34)CCC4 -MOL_01_022268,C1CCCCC1CNC(=O)C(C=2)=CC(C23)=C(N=N3)c4ccccc4 -MOL_01_022269,c1cccc(c12)C(NC(=N)C2(C)C)c3ccc(cc3)NC(=N)CN4CCCCC4 -MOL_01_022270,c1cccc(C=C2)c1N(c(c23)cccc3)C(=N)N4CCN(CC4)c5ccccc5CN -MOL_01_022271,CCNc1ccc(cc1C(C)(C)C)-c2cc(-c3ccc(C(=N)N)cc3)ccc2NCCCN -MOL_01_022272,c1ccccc1Cn2nc(C)c(c2Cl)C(=O)CC3CCCC3=O -MOL_01_022273,c1ccccc1C(=N)c2cccn2CC(=N)N(C3)CCc(c34)cccc4 -MOL_01_022274,C1CCc(c12)ccc(c2)NC(=C)CCc3nc(N)cc(n3)N -MOL_01_022275,CCc1ccc(cc1)NC(=N)C(c2ccccc2)NC(=N)C(NC3)Cc(c34)cccc4 -MOL_01_022276,CC=1C(C)=CC(C12)=NC(=NC2=O)c3ccc(C)c(C)c3 -MOL_01_022277,CCc1c(CN)c(N)c(CN)c(C)c1-c2ccc(OC)c(c2)OC -MOL_01_022278,c1cccc(c12)nc(nc2C)CCCC(N)N(C)CC(N)Nc3cccc(c3)CN -MOL_01_022279,c1cccc(c12)CN(C2=C)C(CC(C)C)C(=C)Nc3cc(CN)cc(c3)CN -MOL_01_022280,C12CCN(CC1)CC2NC(=C)c3cc(Cl)cc(N)c3CC -MOL_01_022281,Cc1ccc(cc1)C2=Nc(c(N)ncn3)c3Cc(c24)ccc(c4)C -MOL_01_022282,CCN(C1N)CCc(c12)c(ccc2)CCC(N)Nc3cccc(C)c3 -MOL_01_022283,COc1cccc(c1)-n2nnnc2CCC(O)c3cc(OC)ccc3OC -MOL_01_022284,COc1ccc(cc1)-c2nnc(n2C)CCC(=O)Nc3ccccc3 -MOL_01_022285,NCc(c1)ccc(c12)CCCC2CCCN3CCN(CC3)c4ccccc4CN -MOL_01_022286,NCc1ccc(cc1CN)C2=NN(C(=C)CC2C)c3ccccc3 -MOL_01_022287,CCc(c1)ccc(c12)C(N(C)C(=O)NC)c3c(C2)nccc3 -MOL_01_022288,NCc1cc(ccc1)CC(=N)NC2CCN(CC2)CCCN3C(=N)CCc(c34)cccc4 -MOL_01_022289,c1ccccc1C2(CN)C(=N)C(c3ccccc3)=C(C2)c4ccccc4 -MOL_01_022290,Cc1ccc(C)c(c1)-n2cc(nn2)C(O)c3ccc(C(C)C)cc3 -MOL_01_022291,NCc(c1)cc(CN)c(c12)C(c3ccc(CN)cc3)C(=C2C)c4cc(CN)cc(c4)CN -MOL_01_022292,CCCc1nc(cc(N)c1CN)NC(C)Cc2cccc(Cl)c2 -MOL_01_022293,CNc1ccc(C)c(NC)c1CC(N)C(=O)C -MOL_01_022294,Cc1c(C)ccc(c12)cc(c(n2)C)CCNC(N)C(C)C -MOL_01_022295,Cc1ccccc1-n2nnnc2CCc(n3)cc(C)n(c34)ccc4 -MOL_01_022296,Cc1cccc(c1)C(N)Nc2cccc(c2)CCc(n3)cc(N)n(c34)c(C)cc4 -MOL_01_022297,c1cccc(c12)CC(CC)CN2C(N)NCc3ccc(C)cc3 -MOL_01_022298,c1ccccc1C(=C)Nc2cc(ncn2)N3CCCCC3 -MOL_01_022299,Cc1ccccc1C(=O)NCCc2nnc(n2C)CCc(n3)nc(O)c(c34)cccc4 -MOL_01_022300,CNc(c1)c(NC)cc(c12)cc3c4c2c(NC)c(NC)cc4CCN3C(N)CCCC(N)N -MOL_01_022301,NC(N)n1cncc1-c2cccc(c2)CCc3ccccc3F -MOL_01_022302,c1cccc(c12)c(NCC)n(n2)CCNC -MOL_01_022303,COc(c1)ccc(c12)cc(c(n2)O)CN(CCO)C(O)c3ccccc3C -MOL_01_022304,C1NCc(c12)cc3c(c2)c(nnc3C)-c4cccc(N)c4 -MOL_01_022305,CCCc(c1)ccc(c12)cc(cc2)-c3nn(C(C)(C)C)cc3C(=N)N -MOL_01_022306,Fc1ccc(cc1)C2(NC(=N)N)CCN(CC2)C(=N)c3c(F)cccc3F 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-MOL_01_022389,CCCn1c(C)cc(=N)c(c12)cc(cc2)NC(=N)c3ccccn3 -MOL_01_022390,CNCCNCn1cc(CCN)nc1C(N)CC(c2ccccc2)c3ccccc3 -MOL_01_022391,CN1CCN(CC1)C(O)c(c2)ccc(c23)CC(C)(C)C(N3)O -MOL_01_022392,CNc1cc(NC)cc(c1)C(O)NCc(c2)ccc(c23)CN(CC3)CC4CCCCC4 -MOL_01_022393,C=CCCCCc1cccc(c12)cc([n+]([O-])c2)C(=O)CN -MOL_01_022394,CCCCCCc1cccc(c1)-c2nc(N)nc(C)c2N -MOL_01_022395,c1cnccc1C(=N)N2N=C(c3ccccc3)CC2c4ccc(CN)cc4 -MOL_01_022396,Nc1cccc(c1)Cc2nn(c(nn3)N)c3c(c24)cccc4 -MOL_01_022397,Cc1c(N)ccc(c12)c3c(c(n2)N)c(C)ccc3 -MOL_01_022398,Cc1cccc(c1)Cc2ccnc(c23)cc(CN)c(c3)CN -MOL_01_022399,Cc1ccc(cc1)NC(=O)CCN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_022400,CN(C)c1nc(cc(n1)C(C)(C)C)-c2cccc(c2)CN -MOL_01_022401,CN(C)CCCCc1cc(c2c(c13)cc(CN)c(c3)CN)c4c(nc2)cc5c(c4)CCC5 -MOL_01_022402,c1ccccc1CNC(O)CN(C2)CCc(c23)cc(cc3)CNC(O)c4cc(NF)cc(NF)c4 -MOL_01_022403,CC(=N)c1ccc(cc1)N2C(=N)CC(C2=N)N(C)Cc3ccccc3 -MOL_01_022404,Cn1nc(N)c(c1ON)CNCc2ccccc2-n3ccnc3 -MOL_01_022405,CC1CCCCC1Cc2nc(cc(=O)n2C)-c3ccncn3 -MOL_01_022406,NCCc1nn(C)c(c1)C(=N)N(C)Cc2cccc(c23)nccc3 -MOL_01_022407,C=CCNC(O)COC(O)c(oc(c12)cccc2)c1CCC3CCCCC3 -MOL_01_022408,CCCCc1nccn1CC(CC2N)CC2(c3ccccc3)c4ccccc4 -MOL_01_022409,COC(=O)C(C1(C)C)C(O)=C(C(=O)C1)C(CC)NCc2ccccc2 -MOL_01_022410,Cc(c1)ccc(c12)NC(=N)CN(C(=N)C(C)C)C2c3ccccc3 -MOL_01_022411,CC(N)Nc1cccn(c12)c(nn2)C(C)(C)C -MOL_01_022412,CNc1c(NC)cc(cc1NC)/C=C(\CN)c(c2)ccc(c23)NCN3 -MOL_01_022413,CCCC(O)N(C1(O)C(C)(C)C)N=C(C1)c2ccc(CN)cc2 -MOL_01_022414,CNc1ccccc1N(C(N)c2ccccc2)Cc3cc(N)nc(c34)cccc4 -MOL_01_022415,NCc1cc(ccc1)C(C)Nc2ccccc2C(C)NCC3CCCC3 -MOL_01_022416,NCc1ccc(cc1)C(CC(=C)C)NC(=C)CCC(=C)Nc(c2)ccc(c23)CCNC3 -MOL_01_022417,CNc1ccc(cc1N)CN(Cc(c23)cccc3)CC(N2)c4ccccc4NC -MOL_01_022418,NCc1ncc(n1CC)CN(CC2)CCC2(C)c(c3)ccc(c34)CNC4 -MOL_01_022419,COc1cccc(c1)N2CCN(CC2)CC(N)COc3ccccc3C(N)CCc4ccccc4 -MOL_01_022420,C1CCCCN1C(=O)CCc2cc(C)c(cc2)NC(=O)c3ccccc3C -MOL_01_022421,CCCc1cc(ccc1CN)C(CC(C)=N)N(C2=N)C(=N)c(c23)cccc3 -MOL_01_022422,CCCC(=O)NC(C(=O)CC)c1cc(C)ccc1C -MOL_01_022423,C=C(N)C1CN(C(=C)C2CC2)CCC1C(=C)Nc3ccc(cc3)COc4ccnc(c45)cccc5 -MOL_01_022424,Nc1n(C)nc(C(N)N)c1C(=C)c2ccccc2Cl -MOL_01_022425,CN1CCN(CC1)C/C=C/CN(C2=N)C(=N)C3C(c(c4C5C23)cccc4)c6c5cccc6 -MOL_01_022426,CCCC(=O)C(N=1)=NC(=O)C(C12)=C(N)C(=C2)CC -MOL_01_022427,Fc1ccc(cc1)C(N)CCCN(CC2)CCC2(N)c3ccc(Cl)c(C(F)(F)F)c3 -MOL_01_022428,CC(=N)c1ccc(cc1)C(C)NC(=N)c2cc(F)cnc2Cc3ccc(F)cc3 -MOL_01_022429,COc1ccc(cc1OC)CC(=O)Nc2nnc(n23)CCC3 -MOL_01_022430,NCCN1CCN(CC1)Cc2ccc(cc2)CNC(=O)C(C=C3)=C(C3=4)C(=O)N=CN4 -MOL_01_022431,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(C)c2)-n3ccnn3 -MOL_01_022432,c1cncn1CC(C)(c2ccc(CN)cc2)c3ccc(cc3)-c4ccncc4 -MOL_01_022433,Cc1ccc(cc1)Cn2c(ncc2CC)CCC(=N)Nc3cccc(F)c3 -MOL_01_022434,NC(N)CNC(=N)c1c(N)nn(c1Cl)-c2ccccc2 -MOL_01_022435,CCNC(C)Nc1ccc(cn1)C(C)Nc2cccc(c2)CC -MOL_01_022436,NCc1cc(ccc1)C(=N)NCCN2CCN(CC2)c3cccc(c34)cccc4 -MOL_01_022437,CNc(c1)ccc(c12)CCC(N2)c3cc(N)c(NC)c(c3)NC -MOL_01_022438,COc1c(OC)ccc(c12)cnnc2CCC(=O)Nc3ccc(C(=O)C)cc3 -MOL_01_022439,CN(C)c(c1)ccc(c12)C(C(=C(C2)N)CN)c3cccc(c3)CN -MOL_01_022440,Cc1ccc(cc1C(C)(C)C)NC(C)c2c(cnn2C)NCc3ccncc3 -MOL_01_022441,CNC(N)CCc1ccc(cc1)Cc2c(cccc3)c3nc(c24)c(CN)ccc4 -MOL_01_022442,Cc(c1)ccc(c12)CCC(=N)N2CCCC(=N)NCCCN3C(C)CCCC3C -MOL_01_022443,c1cccc(c12)cc(c(c2)N)C(N)N(CCN(C)C)CC3CCCN(C3)C(C4)Cc(c45)cccc5 -MOL_01_022444,CCN(CC)C(=N)c1ncc(cn1)C(=C2)c(cccc3)c3CC24CCNCC4 -MOL_01_022445,NCc1ccc(cc1CN)C(=N)CCN2CCN(CC2)c3ccc(C(F)(F)F)cc3 -MOL_01_022446,COc1cc(cc(c1)OC)CC2CC(C)N(C2=O)CCC(=O)O -MOL_01_022447,CCCn1nc(N)c(c1N)CNC2CCc(c23)cc(N)cc3 -MOL_01_022448,Fc1cc(Cl)ccc1C(C)(c2cccnc2)c3cccc(c3)C(=N)N -MOL_01_022449,CCc1ccc(cc1)NC(=O)CCC2CC(=O)NC2CN3CCN(CC3)c4ccccc4 -MOL_01_022450,Fc1ccc(cc1)CN2CCN(CC2)C(=N)CN(CC3)C(=N)C3(c4ccccc4)c5ccccc5 -MOL_01_022451,CCCCNC(=O)NC(C)c(c1)ccc(c12)CCC(=O)N2 -MOL_01_022452,c1cccc(c12)Nc3c(C2)nc(nc3C)N4CCCCC4 -MOL_01_022453,c1cccc(c12)CCCN2C(N)CCC(N)N3CCN(CC3)c4ccccc4 -MOL_01_022454,CC(C)(C1)Cc(c12)cccc2CN(CC3)CCC34CCN(CC4)C(=O)c5ccc(N)cn5 -MOL_01_022455,NCC(=C)c1ccc(C(=C)CN)cc1NC(=C)CCc2ccccc2CN -MOL_01_022456,C=C(C)CNC(=C)c1ccc(cc1)NCCCc2c(C)nc(N)nc2N -MOL_01_022457,Cc1cc(C)cc(c1)Cn2c(=N)ccn(c2=N)CC(=N)Nc3ccccc3CN -MOL_01_022458,Cn1cc(cn1)C2CCCN2C(O)c3ccc(nc3)CCC4CC4 -MOL_01_022459,c1ccccc1N(C2O)C(O)Cc(c23)cccc3 -MOL_01_022460,Clc1ccc(cc1)NC(O)CN(C)C(O)c2ccc(c(c2)NO)-n3cncn3 -MOL_01_022461,CC(C)(N)/C=C/c1ccc(CN)c(c1)C(=N)c2ccc(nc2)Nc3ccc(F)cc3F -MOL_01_022462,CC(=N)c1ccc(cc1)N2C(=N)CC(C2=N)C(C)c3ccccc3 -MOL_01_022463,CCc1ccc(cc1)N2C(N)C(Cl)=C(C2N)Nc3ccccc3CC -MOL_01_022464,CCc1ccc(c(c1)NC)NC(=O)c2ccccc2C(=O)C -MOL_01_022465,CC(=N)c1ccc(cc1)N2CCN(CC2)C(C)C(=N)Nc(c3)ccc(c34)CCCC4 -MOL_01_022466,COc1ccc(cc1)CC(c2ccccc2)c3oc(CO)cc(=O)c3O -MOL_01_022467,Cc(c1)ccc(c12)CC(NC2)C(=N)NC(C(C)C)CN3CCC(C(F)(F)F)CC3 -MOL_01_022468,c1ccccc1-n2c(nnc2C)CCC(=O)N3CCN(CC3)C(=O)c4ccco4 -MOL_01_022469,Cc1cc(C)cc(c1)N2C=C(C(=N)CN)C(C(=C2)C(=N)CN)c3cccc(F)c3 -MOL_01_022470,Cc1cccc(c12)cc(C(O)O)n2Cc3ccc(F)c(F)c3 -MOL_01_022471,NCc(c1)ccc(c12)CCCCC2NCCc3ccccn3 -MOL_01_022472,Cc1ccc(C)c(c1)NC(N)CN(C(N)CC2)c(c23)cccc3 -MOL_01_022473,C1CCCCN1CC(N)CNc2ccccc2C(N)CCc3ccccc3 -MOL_01_022474,Clc1cc(ccc1)NC(O)Cc2cccc(c2)Cc(n3)ccc(n34)ncc4 -MOL_01_022475,NCCNC(N)C(CC(C)C)c1cccc(c1)-c2ccc(cc2)C3CCNCC3 -MOL_01_022476,CCOC(=O)N1CCC(CC1)NC(=O)c2cccnc2CC -MOL_01_022477,Cc1cccc(C)c1-c2cccc(c2)CNc(c3)ccc(c34)CC(C(N)N)CCN4 -MOL_01_022478,c1ccccc1C(NC(=C)CC(C)(C)C)CC(=C)N2CCN(CC2)C(CN)c3cccnc3C -MOL_01_022479,N=1C=NC(=O)C(C12)=C(C)C(=C2)C(=O)NCc3ccc(C)cc3 -MOL_01_022480,C1CCCCN1C(NO)c2ccc(C)nc2Oc3cccc(F)c3 -MOL_01_022481,Cc1cc(N)nc(n1)CCCNc(c2)ccc(c23)CCC3 -MOL_01_022482,NCc1ccc(cc1)CCC(=O)c2cnc(Cl)c(Cl)c2 -MOL_01_022483,Cc1cccc(c1C)NC(=N)CCC(=N)Cc2cccc(C(F)(F)F)c2 -MOL_01_022484,NCn1c(C)c(NN)c(c12)cccc2 -MOL_01_022485,c1cnccc1CCn2c(N)cc(c23)cc(cc3)C(N)c4ccccc4Cl -MOL_01_022486,NC(C1)C(N)Nc(c12)cccc2N(C)C/C=C/C=C/C(C)(C)C -MOL_01_022487,CC(=O)C1(N)CC(C(=O)C)N(C1)CC(c2ccccc2)c3ccccc3 -MOL_01_022488,CC(O)Nc1cnc(cn1)-c(c2)ccc(c23)CCC3 -MOL_01_022489,Cc(c1)ccc(c12)nc(N)c(c2)C(N)c3ccc(cc3)NC(C)(C)C(N)N -MOL_01_022490,N=CCN(C)Cc1ccc(CC(N)N(C)C)c(c12)nccc2 -MOL_01_022491,NCc1c(O)nc(cc1C(C)(C)C)-c2ccccc2Cl -MOL_01_022492,C=C1N=C(N)N(CN)C(=C)C1(CC)c2ccccc2 -MOL_01_022493,Cc1cccc(c1)/C=C/c2cnc(cn2)N(CC3)C(N)N(C)C3(C)C -MOL_01_022494,c1ccccc1CC(=C)NC(c2ccc(CN)c(c2)CN)c(c3C)ccc(c34)cccn4 -MOL_01_022495,CCCC(N)c(c1)cc(n12)c(nc(c2)C)/C=C/c3cccnc3 -MOL_01_022496,CNc1cccc(c1)N2CCN(CC2)CC(N)CNc3ccccc3C(=N)CCc4ccccc4 -MOL_01_022497,C=CCNC1CCc(c12)c(Cl)cc(c2)CC(=C)N(C)CN -MOL_01_022498,CCCC(=O)c1nn(c(c1N)C(=O)CCC)-c2ccccc2 -MOL_01_022499,CC(=O)CCc1nc(C2CC2)cc(c1CN)-c3ccccc3 -MOL_01_022500,NC1(N)CCN(C(=O)N1)c2cnc(cn2)/C=C/c3cccc(F)c3 -MOL_01_022501,CCCN(CCC)CCNC(N1O)=NN(O)c(c12)ccc(c2)C(C)(C)C -MOL_01_022502,NCc1cccc(c1)N2CCN(CC2)C(=O)N3c(cccc4)c4Cc(c35)cccc5 -MOL_01_022503,NCc1ccc(cc1)CC(=C)Nc(c2)cc3c(=C)n(CCN(C)C)c(=C)c(c3c24)ccc4 -MOL_01_022504,c1ccccc1C(N)c(c(n2)C(F)(F)F)nc(c23)cc(C(F)(F)F)cc3 -MOL_01_022505,CNC(=N)CCNC(c(c12)cccc2)(c3ccccc3)N(C1=N)Cc4ccccc4 -MOL_01_022506,CNC(O)Nc1cc(nn1CCC)-c2ccccc2N -MOL_01_022507,Cc1cc(cc(c1)C)Cc2cc(NC)cc(c2)NC(=O)c3cn(C)nc3C -MOL_01_022508,Nc1c(C)ccc(c12)nc(C(C)(C)C)cc2CN -MOL_01_022509,NC(O)Cn1ccc(n1)NC(O)C2(CC2)c3cccc(Cl)c3 -MOL_01_022510,C=C(C)Nc1cccn(c12)c(nn2)C(C)(C)C -MOL_01_022511,C=C1C(C)=C(C)N=C(N12)N=NC(=N2)CCCC -MOL_01_022512,NCc1ccc(cc1)NC(=C)N(CC2CCCC2)Cc(c(n3)C)cc(c34)cc(cc4)CN -MOL_01_022513,Nc1ccccc1C(=N)Nc2ccc(cc2)CCN(C3)CCc(c34)cc(CN)c(c4)CN -MOL_01_022514,Cc(c1)ccn(c12)c(c(n2)C)C(O)NCCCc3ccccc3C -MOL_01_022515,c1cccc(c12)CCN(C2)C(=N)CC(C(C)C)NCC(=N)N3CCCC3CN -MOL_01_022516,CC(=O)c(c1)ccc(c12)c(C)cc(n2)C(=O)C -MOL_01_022517,CCN(CC)CCNC1c(cc(cc2)CN)c2CCc(c13)nccc3 -MOL_01_022518,Nc1ccc(cc1)-c2cc(N)c(c(n2)N)CCc3ccccc3 -MOL_01_022519,NC(N1)CCc(c12)ccc(c2)NC(N)C3CCN(CC3)c4cccc(Cl)c4 -MOL_01_022520,CCCCN(C1=N)C(=N)c(c12)ccc(c2)C(=N)OCC(=N)N3CCN(CC3)c4ccccc4 -MOL_01_022521,NCc1cccc(c1)C(N)NCCN2CCN(CC2)c3cccc(c34)cccc4 -MOL_01_022522,CC(=N)CCn1ccc(c12)cc(cc2)CCCCNc3ccccn3 -MOL_01_022523,CCNC(N)c1c(C)nc(C)c(C(N)NCC)c1-c2cccc(N)c2 -MOL_01_022524,Cc1ccccc1C2=NCC(C)Nc(c23)c(CN)c(C)c(c3)C -MOL_01_022525,CCOC(O)C(C)c(c(n1)O)nc(c12)ccc(c2)C(F)(F)F -MOL_01_022526,CCc1ccc(cc1)C(=O)Nc2cc(Cl)c(C)cc2C(=O)C -MOL_01_022527,CNc1cccc(c1)C(N)Nc2cc(ncn2)N3CCCCC3 -MOL_01_022528,Nc1ccccc1N(C(=N)c(c23)cccc3)C2Nc4ccc(F)cc4 -MOL_01_022529,NCc1cccc(c1)N2CCN(CC2)CCCC(=O)c3cc(Cl)c(N)cc3CN -MOL_01_022530,c1ccnc(c12)CCC2NC(O)Cc3ccc(Cl)cc3 -MOL_01_022531,C1CCc(c12)cc(C(=O)N)c(c2)Nc3ccc(N)cc3F -MOL_01_022532,CNc1ccc(cc1)CNc(c(c2)NC)cc(c23)CCN=C3C(N)c4ccccc4 -MOL_01_022533,O=C1CC(C(=O)N1)Cc2ccc(cc2)CCCn3ccc(c34)cccn4 -MOL_01_022534,C=c1ncnc(c1=2)C(=CN2)CN3CC(C)C(C3)CCCCC -MOL_01_022535,CC(C)(C)c1ccc(cc1)C2C(CN)=C(N)CC(=C23)CCC3=O -MOL_01_022536,c1cccc(c12)cc3c(c2)C(=N)N(C3=N)CCCCN4CCN(CC4)c5ccccc5CN -MOL_01_022537,NCc1ccc(CN)cc1CN(C(C)=N)c2cc(N)ccc2Cc3ccccc3 -MOL_01_022538,CCc(c1)ccc(c12)c(cc(n2)N)CN(C)Cc3ccc(NC(F)F)c(c3)NC -MOL_01_022539,CC(N)c1ccccc1N(Cc2ccccc2)C(N)CCc3ccccc3 -MOL_01_022540,CC(C)CC(C(O)O)NC(=O)C(N)Cc1cccnc1 -MOL_01_022541,N=C(N)c1cccc(c12)C(C)N(C2=N)C3CCN(CC3)C4CCCCC4 -MOL_01_022542,Cn1cncc1C(c2ccc(CN)cc2)NCc3ccc(CN)cc3-c4cccc(c45)cccc5 -MOL_01_022543,N1CCNc(c12)ccc(c2)NC(N)CCC(=NC34CCCCC3)C(=N4)c5ccccc5 -MOL_01_022544,CCCC(N)C1=CN(c2ccccc2)C=C(C(N)CCC)C1c3cccc(c3)CN -MOL_01_022545,CN1CCN(CC1)CCCNC(O)CCC(O)N2CCCc(c23)cccc3 -MOL_01_022546,c1ccccc1CNc2ncnc(c23)Cc4c(N=N3)cccc4 -MOL_01_022547,Cn1cccc1C(CN)c2ccccc2CN -MOL_01_022548,CCC(=N)N(CC1)CC1(C(=N)N)Cc2ccccc2-c3ccccc3F -MOL_01_022549,NCc1cccc(c1)CNC(N)C(C=2)=CC(C23)=C(N=N3)c4ccccc4 -MOL_01_022550,Cc1ccc(F)c(c1)NC(=N)Nc2ccccc2/C=C/c(n3)ccc(n34)ncc4 -MOL_01_022551,CCc1ccccc1NC(=N)Cn2ccn(c(=N)c2=N)-c3cc(C)cc(C)c3 -MOL_01_022552,NC(=O)c1ccc(cc1)-n2nnnc2CCC(=O)Nc3ccccc3-c4ccccc4 -MOL_01_022553,NCc1ccc(cc1CN)NC(O)n2nc(N)c(c23)cccc3 -MOL_01_022554,n1cnn(c12)C(N=C(N2)CN)c3ccccc3 -MOL_01_022555,COc1cccc(c1)CC2CC(C)N(C2=O)CCC(=O)O -MOL_01_022556,Cc1ccccc1NC(=O)Cc2nnc(n2C)CCC(=O)N3CCCCC3 -MOL_01_022557,C1CCCN1CC2CC(C(=N)ON)CCN2C(=N)Cc3ccc(Cl)c(Cl)c3 -MOL_01_022558,O=C1C=C(N=N1)CN2CCCc(c23)cccc3 -MOL_01_022559,CCCCCc1nc(CN)nc(c12)cc(CN)c(c2)CN -MOL_01_022560,NCc(c1)c(CN)cc(c12)CCN(C2)C(=N)C(Cc3ccccc3)NCc4ccccc4 -MOL_01_022561,CCCNCCCCCNc1cc(CN)cc(c12)cccn2 -MOL_01_022562,c1ccccc1N(C(N)CCC)Cc(c(n2)C)cc(c23)cccc3C -MOL_01_022563,C1CC1CC(=N)N2CCCC(C2)Cc3ccc(cc3)NC(=N)N(C4)Cc(c45)ccnc5 -MOL_01_022564,NCc(c1)c(CN)cc(c12)nccc2Cc3ccc(cc3)NC(N)Nc4cccc(F)c4 -MOL_01_022565,C1CC1CCc2ccc(cc2C)C(C)NC(=O)c3ccnn3C -MOL_01_022566,CNc(c1)ccc(c12)c3c(CCC2)cc(NC)c(NC)c3NC -MOL_01_022567,CN(C)c1cc(CCN)nc(n1)CCc2ccc(Cl)c(Cl)c2 -MOL_01_022568,Cc1ccc(cc1)-c2ccccc2C(C(N)C3(C)C)=CC(N)C3 -MOL_01_022569,CCCn1ncc(c12)CN(C2)C(O)c3cccc(c3)CCC(C)(C)C -MOL_01_022570,Fc1ccc(cc1)C2(NC(C)N)CCN(CC2)C(N)c3c(F)cccc3F -MOL_01_022571,CN(C)C(=O)c1cc(CN)c(CN)cc1NC(=O)c2ccccc2F -MOL_01_022572,CC(=N)NC(CC12)CC(CCC1)N2CC(=N)N3CCCc(c34)cccc4 -MOL_01_022573,NC(N)(C12)C(C1)CC(C2)CNC(=N)c3ncn(c3N)-c4ccccc4 -MOL_01_022574,c1cccc(c12)nc(n2CC)CCC(O)Nc3nccc(n3)C -MOL_01_022575,c1cccc(c12)nc(O)c(c2C)C(O)NCCNCCNCCN -MOL_01_022576,c1cccc(c12)CCC(C2)CNC(=N)Cn3ccnc3-c4ccccc4 -MOL_01_022577,c1ccccc1CNC(=C)CN(CCc(c23)cc(CN)c(c3)CCC)C2Cc4ccc(CN)c(c4)CN -MOL_01_022578,c1ccccc1N2CCN(CC2)C(C)CCc3nnc(N)n3-c4ccccc4 -MOL_01_022579,NCc1ccc(N)cc1NC(N)CN2CCN(CC2)c3ccccn3 -MOL_01_022580,CCCOC1CCCN(C1)C(=N)c2ccc(ON)c(c2)OC3CCN(C(C)C)CC3 -MOL_01_022581,COc1ccc(cc1OC)C2=C(C)N(O)C(C)=C(C)N2O -MOL_01_022582,NC(N)c(cc1)cc(c12)ccn2CC(N)CCc3ccc(cc3)-c4ccccc4 -MOL_01_022583,CCc1ccc(cc1)-c2cncc(n2)Nc3cc(CN)c(CN)c(c3)CN -MOL_01_022584,C1CCC(C1=2)=C3C(C2)=NC(=NC3=O)Cc4ccccc4 -MOL_01_022585,NCc1ccc(cc1)Cn2nc(C)cc2CC(=N)c3c(F)ccc(C)c3F -MOL_01_022586,C1CCOC1CNC(O)c2c(ON)n(nn2)Cc3ccccc3 -MOL_01_022587,c1ccoc1-c2nnc(n2C)CCC(=O)NC3CCCCCC3 -MOL_01_022588,Cc1ccccc1-n2c(N)nn(c2=O)CCCc3ccccc3 -MOL_01_022589,Cn1nc(C2CC2)c(Cl)c1C(=N)NCc3ccc(C(N)(N)N)cc3 -MOL_01_022590,Nc(n1)ccc(c12)ccc(c2C)C(Nc3ncccn3)c4ccccc4 -MOL_01_022591,NC1CCC(CC1)CNC(=C)C2CCCN2C(=C)C(N)C(c3ccccc3)c4ccccc4 -MOL_01_022592,C1CCCN1CCCNC(N)c(c2)ccc(c23)CCCN3Cc4ccccc4 -MOL_01_022593,CCCc1cc(C)nc(c1CN)NCc2ccc(C)cc2 -MOL_01_022594,NC(N)CNc1ccc(cc1C)CCC(C(F)F)CNc2ccc(C(F)(F)F)cc2 -MOL_01_022595,c1cccc(c12)nc(Cl)c(c2NNN)N3CCCCC3 -MOL_01_022596,CCc1nc(N)nc(N)c1/C=C/C(C)c2cnc(nc2)-c3ccccc3 -MOL_01_022597,Cc1ccc(cc1)-n2c(C)nnc2CCC(=O)Nc3ccccc3C(F)(F)F -MOL_01_022598,OC(O)C(O1)=CC(O)C1(C)c2cccc(C(Cl)(Cl)Cl)c2 -MOL_01_022599,NOC(N)c1cccc(c12)nc3c(n2)ccc(c3)C(N)c4ccc(Cl)cc4Cl -MOL_01_022600,Cc1cccc(n1)N2C(=CCC2N)CC34CC5CC(C3)CC(C5)C4 -MOL_01_022601,CCN1CC(CC1O)CN(C)Cc2nc(oc2C)-c3ccno3 -MOL_01_022602,NCc(c1)c(CN)cc(c12)c(CCN)ncc2C(=O)CCC -MOL_01_022603,COc1cccc(c1)CCC(=O)N2CCC(CC2)N3CCCC(O)C3 -MOL_01_022604,Cc1c(N)ccc(c12)c3c(NC2)c(C)c(N)cc3 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-MOL_01_022670,c1cccc(c12)C(=N)N(C2)CCN3CCN(CC3)c4ccccc4CN -MOL_01_022671,COc1c(OC)cc(cc1OC)C(O)Nc2ccc(nc2)NC(O)c3ccco3 -MOL_01_022672,C1CCCC12C(N)NC(CCCC)N2Cc3ccc(cc3)-c4ccccc4C(N)N -MOL_01_022673,NCc1ccccc1-c2ccc(C)n2CCC3CC(=O)CC(C)C3 -MOL_01_022674,CCCC(=O)c1ccc(cn1)CCCC2CCN(CC2)c3ccc(C)nn3 -MOL_01_022675,Clc1nc(ccc1)C(=N)NC(CC(C)=N)c2ccc(cc2)-c3ccccc3 -MOL_01_022676,NC1N(C)CCc(c12)nc(cc2)/C=C/c3ccccc3Cl -MOL_01_022677,CNc(c1)ccc(c12)c(C)cc(n2)C(C)O -MOL_01_022678,CC(=O)c1cc(c(C)nc1C)C(=O)c2cc(Cl)ccc2C -MOL_01_022679,CCc1cccc(n1)C(=N)N2CCCCC2c3ccc(cc3)CN(C)C -MOL_01_022680,NCc1ccc(cc1)CCNC(O)c2cnc(Cl)c(Cl)c2 -MOL_01_022681,CCN(CC)c1ccc(C(C)(C)C)cc1NC(O)c2cccnc2Cl -MOL_01_022682,FC(F)(F)c1c(Cl)c(ccc1)C(O)N2CCN(C(O)C2)c3ccc(F)cc3 -MOL_01_022683,Cn1ccc(c12)ccc(c2)C(O)N3CCN(CC3)C(O)OC(C)(C)C -MOL_01_022684,NC(N)c(c1)ccc(c12)ccc(c2)-c3ccc(N)c(c3)C45CC6CC(C4)CC(C6)C5 -MOL_01_022685,CCCCNC(=C)CC(C1)C(=C)N(C(C12C(=C)CN)=CCCCC2)Cc(c3)ccc(c34)CNC4 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-MOL_01_022704,NCc(c1=C)cn2c(c3c(c2c14)ccn4)cccc3 -MOL_01_022705,O=C1CCCN1CN(c2cccc(Cl)c2)C(O)c(c3)ccc(c34)CCC4 -MOL_01_022706,NC(N)CCC(N)CNc1c(C)cc(cc1)C(CC)(CC)c2ccc(c(C)c2)/C=C/C3(N)CCCC3 -MOL_01_022707,c1ccn(c12)c3c(nc2C(C)=N)cc(cc3)Nc4cccc(c4)C=N -MOL_01_022708,CCNC(N)/C(CN)=C/c1cc(CC=C)cc(c1N)-c2ccc(N)c(c2)CC=C -MOL_01_022709,Cc1ccc(cc1)NC(O)CCc2nc(C)nc(C)c2C(O)CN -MOL_01_022710,Fc1cc(ccc1)CC2CN(C(C)=N)C(C2)C(=N)N3CCCN(CC3)C4CCCC4 -MOL_01_022711,NCCCN1C(=C)C=Nc(c12)cnc(n2)N(C)C -MOL_01_022712,C1=CCCN1C(=O)C(N)Cc2cccc(c23)cccc3 -MOL_01_022713,CC1CCCN(C1)C(=O)c2ccc(cc2)NC(=O)CC3CC(=NC3=O)N4CCCC4 -MOL_01_022714,c1ccccc1-n2nc(C)c(n2)C(C)Nc3cccc(c3)C(C)NC4CC4 -MOL_01_022715,OC(O)CN(C)C(O)c1c(OCCCC)ccc(c12)c(C(F)(F)F)c(cc2)OC -MOL_01_022716,c1ccccc1NC(=O)CCc2n(CC)c(nn2)CNC(=O)C34CC5CC(C3)CC(C5)C4 -MOL_01_022717,Cc1ccc(cn1)-c2cc(N)cc(n2)Nc3cc(N)ccn3 -MOL_01_022718,c1cccc(c12)C(C)c3c(C2C)c(CN)c(c(c3)CN)CN4CCN(CC4)c5ccccc5 -MOL_01_022719,CNC(CN)c1ccc(Cl)c(c1C)C(N)c2ccc(N)nc2 -MOL_01_022720,C=C(N)C12CC3CC(C1)C(C(C3)C2)NC(=C)C(C)(C)c4ccc(nc4)N5CCCCC5 -MOL_01_022721,NC(=O)C(=O)C(C1=O)C(C)(C)CC(=C12)NC3C(=C2)C=CC=C3 -MOL_01_022722,Fc1ccc(cc1)CN2C=C(C(=C)CN)C(C(=C2)C(=C)CN)c3cc(CN)c(CN)c(c3)CN -MOL_01_022723,Cc1ccc(cc1)CNC(N)c(c2C)c(C)nc(c23)cc(CN)c(c3)CN -MOL_01_022724,c1ccccc1CC(N)NCC(N)NC(c2ccccc2)c3ccccc3 -MOL_01_022725,c1ccccc1-n2nc(N)c(c2Cl)C(=O)NCC(N)N -MOL_01_022726,CC(C)(C)COc1cc(C)ccc1N2CCN(CC2)CCCN3C(=O)NCCC3O -MOL_01_022727,n1cnc(c12)n(c(C)nc2C)Cc3ccccc3 -MOL_01_022728,FC(F)(F)C(C)NCc1cc(c(F)cc1F)C2(C)CCCC(=N2)N -MOL_01_022729,COc1ccc(cc1)Cc2nnc(o2)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_022730,Cc(c1)ccc(c12)nc(C)c(c2)CN(C(N)N3CCCC3)CCc4ccc(CN)c(c4)CN -MOL_01_022731,Cc1ccccc1-c(n2)nc(C)c(c23)cc(CN)c(c3)CN -MOL_01_022732,c1ccccc1C(N)(C2CCCCC2)C(=N)CN3CCN(CC3)Cc4ccc(F)cc4 -MOL_01_022733,c1cccc(c12)CCN(C2)C(=C)Nc3cc(CN)ccc3CN -MOL_01_022734,c1cccc(c12)ccc(c2)N(C(C)=N)C3=CC(=N)N(C3=N)c4cccc(C)c4 -MOL_01_022735,CCCC(=O)C(NC(=O)C)(C(=O)CCC)Cc1c(F)cccc1F -MOL_01_022736,Cc1ccc(c(C)c1)CCN2CCN(CC2)C(N)c3cccn(c34)cc(n4)CN -MOL_01_022737,CC(C)(C)C1=C(CN)C(C(CN)=C(N)C1)c(c2)ccc(c23)CNC3 -MOL_01_022738,CCNCCNC1c(cc(cc2)CN)c2CCc(c13)nccc3 -MOL_01_022739,C1CCCCC1Nc2cc(ccc2C(N)N)-c3ccc(cc3)NCCNCC(N)c4ccccc4 -MOL_01_022740,C1COCCN1c2cc(O)cc(c2)-c3cccc(c3)-c(o4)cc(c45)cccc5 -MOL_01_022741,Cc1ncccc1CCc2ccc(cc2)-c3ccnc(c3)N4CCNCC4 -MOL_01_022742,c1cccc(c12)c(=C)n(c2=C)C(C(C)C)C(=C)Nc3ccccc3CN -MOL_01_022743,c1cccc(c12)ccc(c2)C(C)NCC(N)CNC(C)(C)Cc(c3)ccc(c34)cccc4 -MOL_01_022744,N=C1C(C)(O)C(=N)C=C(C1=2)C=C(OC2)CCCCOCc3ccccc3 -MOL_01_022745,NCc1c(CN)cc(cc1CN)C(C)c2cnnn2Cc(c3)ccc(c34)CCC4 -MOL_01_022746,c1ccccc1C(C)Nc2nc(-c3ccccn3)ncc2CN -MOL_01_022747,Nc1ccc(nn1)N2CNCC(C23)CN(C3)CC4CC4 -MOL_01_022748,CCCC(C)(CN)NC(=C)c1cn(nn1)-c2cccc(Cl)c2C -MOL_01_022749,NCCCC(CC)Nc1cc(CN)cc(c12)cccn2 -MOL_01_022750,CNC(N)CCC(N)Nc1cccc(c1)Nc(n2)ccc(c23)cccc3 -MOL_01_022751,CNc(c1)ccc(c12)N(C)C(O)CN=C2CCC -MOL_01_022752,NCc1ccc(c(Cl)c1)-c2ccc(nc2)CCc3ncccc3C(N)N -MOL_01_022753,C=CCN(C)c1cc(CCO)nc(n1)CN -MOL_01_022754,CN1CCN(CC1)CN(C(O)C2O)c(c23)cccc3 -MOL_01_022755,c1ccncc1C(=N)N(CC23)CC(CC2)N(C3)Cc4ccccc4CN -MOL_01_022756,C1CCCN1Cc2c(N)c(CN3CCCC3)cc(c2)CC(N)NCC(C4)CCc(c45)cccc5 -MOL_01_022757,CCc1ccc(cc1)-c2ccc(cc2)C(=N)NC3CCCCN(C3=N)CC(=N)Nc4cccc(c4)CN -MOL_01_022758,Cc1ccc(cc1)NC(=O)CCc2c(C)nc(C)c(CN)c2C -MOL_01_022759,c1ccccc1C(CCN(C)C)Nc2cccc(c2)NC(N)Nc(c3)ccc(c34)n(C)cc4 -MOL_01_022760,Cc1ccnc(n1)CN(C2N)CCCc(c23)ccc(c3)-c4ccc(CC(F)(F)F)cc4 -MOL_01_022761,c1ccc(c12)c(N)n(cc2)CC(N)NCc3ccccc3F -MOL_01_022762,Nc1ccccc1C(=C)Cc2ccnc(c23)cc(CN)cc3CN -MOL_01_022763,Cc1cnccc1Cc2ncnc(c2C)CC3CCN(CC3)C(=N)CC(C)C -MOL_01_022764,NCc1ccc(cc1)N(C=N2)C(=C)c(c23)cc(CN)c(c3)CN -MOL_01_022765,C1CNCCN1CCNc2cc(ccc2NC)N3CCN(C3N)c4ccc(C)c(C(F)(F)F)c4 -MOL_01_022766,Cc1ccc(cc1)NC2=CC(O)C(O)c(c23)cccc3 -MOL_01_022767,c1ccccc1C(=N)Cc2c(CN)ccc(c23)CC4N(C3)CCc5c4cc6c(c5)CNC6 -MOL_01_022768,NCCC(O)N(C1)CCc(c12)nc(O)cc2 -MOL_01_022769,c1ccccc1Cn2c(C)c(cc2C)C(N)CNc3ccc(C(C)N)cc3 -MOL_01_022770,c1cccc(c12)nc(nc2C)-c3ccc(cc3)NC(=O)CC(C)C -MOL_01_022771,c1ccccc1Cc2nnc(n2C)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_022772,CNc1cccc(c1)C2=C(CN(C)CC2)C(N)NCCc3ccc(NC)c(c3)NC -MOL_01_022773,CNC(=N)Cc1ccc(cc1)NCC(N)CN2CCN(CC2)c3cc(C)ccc3C -MOL_01_022774,CNc1ccc(cc1)CC2NCCc(c23)cc(NC)c(c3)NCc4ccccc4 -MOL_01_022775,Clc1ccccc1CN(C(=N)c(c23)cccc3)C2Nc4cccc(c4)CN -MOL_01_022776,N=C1NCCCCC1NC(=N)C2(CCCC2)c(c3)ccc(c34)CCCC4 -MOL_01_022777,c1ccncc1CNC(=C)CN(C2=C)N=C(C)c(c23)cccc3 -MOL_01_022778,CCN(CC)C(=O)c1ccc(n12)CC2=O -MOL_01_022779,O=C1NCC1NC(=O)CCc2ccc(cc2)-c3cccnc3 -MOL_01_022780,Fc1cc(ccc1)CC2CN(C(C)=N)C(C2)C(=N)N3CCCN(CC3)CC(C)C -MOL_01_022781,c1cccc(c12)CCC(C2)C(N)NCCN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_022782,Cc1cc(N)nc(c12)ccc(c2)CCc3cccc(c3)C(N)N4CCCC4 -MOL_01_022783,NCc1ccc(cc1)Nc2nc(C(C)(C)C)c(cn2)C(O)NCc3ccccc3 -MOL_01_022784,C1CCCN1CC(N)CN(Cc2ccc(cc2)NC)Cc(c(n3)NC)cc(c34)cccc4 -MOL_01_022785,NCc1c(C)c(CN)cc2cc(c3c4c12)N(C(C)c3cc(c4)C)Cc5ccc(CN)cc5 -MOL_01_022786,CCCC(O)c1nn(c(CN)c1N)-c2ccccc2 -MOL_01_022787,CCN1CCCC(=O)C1CC(=O)Nc2ccccc2C(C)(C)C -MOL_01_022788,CC(=N)c1ccccc1C(=N)Nc2cc(C(F)(F)F)ccc2N3CCCC3 -MOL_01_022789,C=C(N)NC1=C(C)N(C)N(C1=C)c2ccccc2 -MOL_01_022790,c1cccc(c12)CC(C2)N(C3O)C(O)c(c34)c(F)c(F)c(F)c4F -MOL_01_022791,CCCC(=O)c1nnn(c1C(=O)CCC)CC(=O)Nc2ccccc2 -MOL_01_022792,CCc1ccc(cc1CC)C2C(CN)=C(N)Cc(c23)c4c(cc3)cccc4 -MOL_01_022793,c1ccccc1C(CC2=N)CC(=C23)CC(N)=C(CN)C3Cc4ccccc4 -MOL_01_022794,NC(N)c1c(F)ccc(c1F)CCCCCc2cccc(c23)cccn3 -MOL_01_022795,CCCCC(O)c(c1)ccc(c12)n(c(c2)O)CCN3CCCCC3 -MOL_01_022796,CCCn(c1N)nc(c12)cc(C)nc2C -MOL_01_022797,C1CCc(c12)ccc(c2)C(CC3)=Nn(c34)c(nn4)C5CCCCC5 -MOL_01_022798,Cc1ccc(cc1)-c2ccc(=N)n(n2)CC(=N)Nc3cccc(c3)CN -MOL_01_022799,NCc1cc(CN)ccc1C(Nc2c(Cl)cc(C)cc2)C(=N)CCc3ccncc3 -MOL_01_022800,CNc1ccccc1C(=N)NCC2(c3ccccc3)CCC(CC2)NC(=N)Nc4ccccc4 -MOL_01_022801,CCc1cccc(c1)-c2nc(N)nc(C)c2Cl -MOL_01_022802,NC(N)C1CN(C1)CC(=C2C)CCc(c23)cc(cc3)NCCCc4cccc(F)c4 -MOL_01_022803,c1ccc(C)c(c12)nc(cc2C)CN3CCCCC3CN -MOL_01_022804,CCc1ccc(cc1C)C(O)CCc(n2)cc(O)n(c23)c(C)cc3 -MOL_01_022805,Cc1cc(ccc1)OCc2nnc(n2CC)CCC(=O)CC(=O)Nc3ccccc3OC -MOL_01_022806,C1CCCCC1NC(=N)CCc2nccn(c2=N)-c3ccccc3CN -MOL_01_022807,CCc1ccccc1-c2ccc(cc2)C(C)Cc3cc(CN)c(CN)cc3NC -MOL_01_022808,c1ccccc1CC(C=N)N(C)C(=N)C(C(C)C)NC(=N)CCc2ccccc2 -MOL_01_022809,CC(C)c1ccc(cc1)C(NC(C)=N)c(c2C)ccc(c23)cccn3 -MOL_01_022810,Cc1cc(C)cc(c1)NC(=O)c2cccnc2CCc3ccnc(Cl)c3 -MOL_01_022811,CCC(O)CNC(O)c1ncc(cc1C)-c2ccc(NN)cc2 -MOL_01_022812,CC(O)c1nc(O)nc(O)c1CCc(c2)ccc(c23)cccc3 -MOL_01_022813,Cc1cccc(c1)NC(=O)C(CC2=O)=Cc(n23)nnc3 -MOL_01_022814,Fc1cc(C(F)(F)F)ccc1C(=O)Nc(c2)ccc(c23)COC3O -MOL_01_022815,Fc1cc(ccc1)C2C(CN)=C(N)Cc(c23)ccc4c3cccc4 -MOL_01_022816,c1cccc(c12)c(N)n(c2)C(N)Nc3ccc(cc3)-c4ccccn4 -MOL_01_022817,NC(O)c(c1)ccc(c12)nc(O)c(n2)CCCc3ccccc3 -MOL_01_022818,CNc(c(C)c1)cc(c12)c3c(cc2NC)C(C)(N)NC3N -MOL_01_022819,Cc1cccc(c1)CC(N)N2CCCC(C2)n3nc(N)cc3N -MOL_01_022820,Fc1ccc(cc1)C(C)NC(=NC2=O)CC2(C)C3(O)CCC3 -MOL_01_022821,CCCc1cc(C)nc(n1)CCC(=O)c2cc(C)n(c2C)C3CC3 -MOL_01_022822,c1ccc(c2c13)C(C)N(c2ccc3)CCCCNCCCCN -MOL_01_022823,CNc1cc(NC)nc(n1)Nc2cccc(c2C(N)N)-c3ccccc3 -MOL_01_022824,C1CCCCC1NC(=C)N(Cc2ccc(CN)cc2)Cc(c(n3)C)cc(c34)cc(CN)c(c4)CN -MOL_01_022825,Cc1cccc(Cl)c1C2CC(=O)NC2=O -MOL_01_022826,CNc1ccccc1N2CCN(CC2)CCC(N)c3ccc(cc3)-c4ccccc4 -MOL_01_022827,CCc1nnc(n12)c3c(cccc3)c(n2)CCc4ccccn4 -MOL_01_022828,NOc1ccc(cc1)C(N)NC(C)c2nnc(n2C)CCc3ccc(Cl)c(Cl)c3 -MOL_01_022829,Cc(c1)cc(C)c(c12)N(C)C(O)c3c(C2)ccc(c3)N -MOL_01_022830,CNCCNc1ccc(cc1)CNC(=N)C2CNc(c23)cccc3 -MOL_01_022831,COc1ccccc1N2CCN(CC2)CCNC(N3)COc(c34)cccc4 -MOL_01_022832,CC(C)(C)c1nc(O)nc(c12)cc(CN)c(c2)CN -MOL_01_022833,C1CCCC=C1CCN2C(=N)C(CC(=C2C)C(=N)N(C)C)CC(=N)NCCc3ccccn3 -MOL_01_022834,c1ccccc1C(O)C2=CC=CN(C2CCN)Cc3ccccc3 -MOL_01_022835,CC1CCCC(C)N1C(=O)CCC(=O)CNC(=O)c2ccc(Cl)cc2Cl -MOL_01_022836,Cn1nc(N)c(c1N(C)C)CNCc2ccccc2CCN -MOL_01_022837,CC(C)(C)c1cc(ccc1Cl)NC(=O)CC2CC(=NC2=O)N3CCOCC3 -MOL_01_022838,NC/C(C(O)O)=C/c1cccc(O)c1 -MOL_01_022839,CNc(c1)c(NC)cc(c12)cc(c(n2)N)C(N)NCCCN(C)Cc3ccccc3 -MOL_01_022840,Cc1ccccc1C2C=C(c(c3)ccc(c34)CCC4)NC(N2)c5ccc(CN)c(c5)CN -MOL_01_022841,Nc(c1)ccn(c12)c(c(n2)N)C(=O)NCc3ccccc3 -MOL_01_022842,CC(C)(C)NC(O)C1CCN(CC1)Cc2c(C)c(ccc2)NC(O)c3ccc(F)cc3 -MOL_01_022843,c1cnccc1-c2nnc(n2C)CCC(=O)c3ccccc3 -MOL_01_022844,c1ncncc1C(C)(c(cc2)ccc2Cl)c3cnccc3N -MOL_01_022845,CNC(=O)c1ccc(c(c1)CN)CC(C)C(=O)N2CCN(CC2C)C(=O)c3ccccc3 -MOL_01_022846,O1CCOc(c12)ccc(c2)C3=NN(C(O3)=C)CN4CCN(CC4)Cc5ccccc5 -MOL_01_022847,C1CCCCN1CC(=C)Nc2ncc(c(n2)N)Cc3cc(N)c(CC)cc3C(C)C -MOL_01_022848,CCC(C)(C)NC(O)C1CCN(CC1)Cc2cccc(c2)NC(O)c3ccc(C(F)(F)F)cn3 -MOL_01_022849,Clc1cn(cn1)-c2ccc(cc2ON)NC(O)c3ccc(NO)cc3 -MOL_01_022850,CN1C(C)C(O)N(C)c(c12)ccc(c2)Nc3ccccn3 -MOL_01_022851,Cc1cnc(cc1C)NC(=C)c2cc(Cl)cc(c2)Cc3cncnc3 -MOL_01_022852,C=C(C)CN(CC1)CCC1(CN)c2ccc(CN)c(c2)CCC -MOL_01_022853,NCc(c1)ccc(c12)nc(C)c(c2)CN(c3ccc(CN)cc3)C(=N)c4cccnc4 -MOL_01_022854,NC(O)c1ccccc1-c2cnc(o2)C(O)CCCCCCc3ccccc3 -MOL_01_022855,Oc1ccc(cc1C)/C=c2\oc(=C)n(c2=O)-c3ccc(OC)cc3 -MOL_01_022856,n1cccc(c12)c(O)c3c(c2)c(ccc3NC)Cn4ccnc4 -MOL_01_022857,Cc1ccc(cc1)Cc2nn(c(nn3)N)c3c(c24)cccc4 -MOL_01_022858,NC(=O)c(c1)cn(c12)cc(C)nc2/C=C/c3ccccc3C -MOL_01_022859,Nc1nc(C(N)N)nc(c12)nc3c(c2)cccc3 -MOL_01_022860,CC1CN(CC(O1)C)C(=C)CCc(c2)ccc(c23)nc(C)nc3O -MOL_01_022861,Cc1cccc(c1)CN2CCN(CC2O)c3nccnc3CN -MOL_01_022862,Fc1ccc(cc1)NC(=O)CCc2n(C)c(nn2)CNC(=O)c(c3)ccc(c34)CNC4 -MOL_01_022863,NCc1ccccc1CCC(=C)CCC(=C)C2=C(N)N(C)C(=C)N(C)C2=C -MOL_01_022864,N=1C=NC(=O)C(C12)=C(C)C(=C2)C(=O)Nc3ccc(F)cc3 -MOL_01_022865,CC(=N)c1ccc(cc1)CC(C2(CC)CC)N(C2=N)C(=N)NCc3ccc(C)cc3 -MOL_01_022866,CN(C)C(=O)CN1CCCC(C12)CN(C2)Cc3cccc(N)c3 -MOL_01_022867,C1CCC1CNC(N)c2ncccc2NC(N)c3ccc(c(c34)cccc4)Cn5cccc5 -MOL_01_022868,c1cccc(c12)nc(nc2C)CCCN3CC=C(CC3)c4cccc(c4)CN -MOL_01_022869,CCCC(=O)Cc1ncccc1C(=O)Nc2ccc(cc2)Cc3ccccc3 -MOL_01_022870,c1ccccc1CCC(=N)N(CCCC)Cc(c(n2)C)cc(c23)cc(cc3)CN -MOL_01_022871,Cc1ccc(cc1C)-n2nnnc2CCC(=O)Nc3ccccc3N4CCCCC4 -MOL_01_022872,Clc1ccccc1CNC(=C)CC(c2cc(CN)c(CN)c(c2)CN)N(C3=C)Cc(c34)cccc4 -MOL_01_022873,NCCC(N)N1CCC(CC1)Cc2cccc(c2)C(N)NCc3ccccn3 -MOL_01_022874,c1cccc(c12)cccc2C(CNC)N3CCC(CC3)C(N)NCc(c4)ccc(c45)NCN5 -MOL_01_022875,CC(=O)c1ccc(cc1)-n2nnnc2Cc3cccc(c34)cccn4 -MOL_01_022876,c1ccccc1C2(C(N)NCC)CCN(CC2)CC(N)c3ccccc3 -MOL_01_022877,CNc(c1)c(NC)cc(c12)nc(C)c3n2cnn3 -MOL_01_022878,CNc1cccc(c1)CNC(=N)C2CCCN2C(=N)C3CCCCN3C(=N)c4ccc(Cl)cc4 -MOL_01_022879,Cc1ccc(cc1)CCNC(=O)CCc2ncnc(c23)cccc3 -MOL_01_022880,Cc1ccccc1C2(CCOCC2)C(O)NCCN3CCCC(C)C3 -MOL_01_022881,NCc1c(C)ccc(c12)cc(cc2)-c3cccc(n3)C(N)N4CCN(C)CC4 -MOL_01_022882,c1cccc(c12)CN(C2)C(=N)C3(C)CCN3C(=N)Cc4ccccc4 -MOL_01_022883,N=Cc1cc(ccc1)C2(N=C(N)N(C)C2N)c3ccc(ON(F)F)cc3 -MOL_01_022884,FC(F)(F)c(c1)cn(c12)cc(C)nc2/C=C/c3cccc(c3)C(C)N -MOL_01_022885,Cc1ccc(cc1)NC(=C)C2CCCN(C2)c3cnccn3 -MOL_01_022886,c1cnc(N)c(C(=O)C2)c1C23CCCCC3 -MOL_01_022887,c1cccc(c12)nc(n2C(N)N)C(N)Cc3ccccn3 -MOL_01_022888,Cc1cccc(C)c1CC(N)NCc2c(N)nn(C)c2N(C)C -MOL_01_022889,NC(N=1)=NC(=O)C(C12)=NC(=N2)CCC(=O)c3ccc(cc3)-c4ccccc4 -MOL_01_022890,c1ccnc(c12)c(CN)ccc2C(=C)Nc3ccncc3Cl -MOL_01_022891,NCc(c1)c(CN)cc(c12)nccc2Cc3ccc(cc3)NC(=O)Nc4ccc(F)cc4 -MOL_01_022892,c1ccccc1CN(C)C(N)CCC(N)c(n2)ccc(c23)cccc3 -MOL_01_022893,NCc(c1)c(CN)cc(c12)CC(C2N)CC3CCN(CC3)Cc4cccc(C(F)(F)F)c4 -MOL_01_022894,c1cccc(c12)C(O)C(=C(C2O)OC)c3ccccc3 -MOL_01_022895,c1cccc(c12)c(O)c3c(n2)c(ccc3)C(O)Nc4ccccc4 -MOL_01_022896,c1cnccc1C2=NN(C(O2)=C)CN3CCN(CC3)Cc(c4)ccc(c45)OCO5 -MOL_01_022897,NC(N)C1CCCN(C1)CCNCCN2c(cccc3)c3CCCc(c24)cccc4 -MOL_01_022898,CC(=O)c1cc(Cl)ccc1NC(=O)CCCC(=O)Nc2cccc(c2)-n3cccc3 -MOL_01_022899,CNc1cc(CN)c(cc1Cl)C(=N)NC2CCN(C2C)Cc3ccccc3 -MOL_01_022900,c1ccccc1C2=NN(C(C)=N)C(C2)C(=N)NCCC3=CCCCC3 -MOL_01_022901,CC(=O)C(C)Cc1nnc(n1-c2ccc(CN)cc2)CCc3cccc(c34)cccc4 -MOL_01_022902,NCc(c1)ccc(c12)ncc(c2C)C(=O)NCCCN -MOL_01_022903,Fc1ccc(cc1)-n2nc(cc2)C(C)Nc3ccc(cc3)C4CCCNC4 -MOL_01_022904,COc(c1)cc(OC)c(c12)C(O)c3c(C2O)cc(cc3OC)CNCCN -MOL_01_022905,c1ccccc1CNC(=C)CN(CCc(c23)cc(CN)c(c3)CN)C2Cc4ccc(C)c(C)c4 -MOL_01_022906,NCC(N)c1cccc(c12)nc3c(n2)ccc(c3)C(N)C4CCCCC4 -MOL_01_022907,CCOc1ccc(cc1)CN(C)C(=O)c2ccc(cc2)NC(=O)CC3CC(=NC3=O)N4CCCC4 -MOL_01_022908,NC(=O)c(c1)cn(c12)cc(C)nc2/C=C/c3ccccc3F -MOL_01_022909,Cc1ccc(cc1)-n2nnc(c2C)C(O)N(C)CC(C)(C)C -MOL_01_022910,c1ccccc1N(C2O)C(O)c(c23)cccn3 -MOL_01_022911,c1ccccc1OCc2nnc(n2CC)CCC(=O)Nc3cc(OC)ccc3OC -MOL_01_022912,NCc(c1)c(CN)cc(c12)cc(C(C)N)c3c2cnc4c3cc5c(c4)CCC5 -MOL_01_022913,CC(=N)CN(CC1)CCC1(CN)c2ccc(CC)c(c2)CC(C3)Cc(c34)cccc4 -MOL_01_022914,Clc1cc(ccc1)CC(CC(C)=N)NC(=N)c(c2)ccc(c23)cccc3 -MOL_01_022915,NCc1c(CN)cccc1CN(CC2)C2(C)C(=N)Nc3cccc(c3)Cc4ccccc4 -MOL_01_022916,Cc(n1)cc(C)n(c12)nc(c2)CCc3ccc(CN)cc3 -MOL_01_022917,CC(N)Nc(c1)ccc(c12)cc(c(c2N)CC)-c3ccc(C(F)(F)F)cc3 -MOL_01_022918,c1cccc(n12)nc(C)c2C(C)NCc3cccnc3 -MOL_01_022919,c1cccc(c12)ncc(c2C)C(N)N(C)c3ccccc3 -MOL_01_022920,CNc1ccc(cc1)C(N)(N)c2cnc(c3c24)cc(cc3)ccc5cccc4c5 -MOL_01_022921,CC(=N)c1cccc(c1)NC(=N)CC(C(=N)N2)Cc(c23)ccc(c3)C -MOL_01_022922,c1ccccc1CC(NC(=N)C(N)CCCN)C(=N)Nc(c2)ccc(c23)cccc3 -MOL_01_022923,c1cccc(c12)CCCN2CC(=N)NC3CCN(CC3)Cc4ccccc4 -MOL_01_022924,Cc1nc(C(O)CN)nn1-c2ccccc2C(C)(C)C -MOL_01_022925,c1ccccc1CC(=N)N2C=CC(=N)CC2c3ccc(cc3)-c4ccccc4 -MOL_01_022926,Cc1cccnc1C(C)NC(O)Cc(c(Cl)c2)cc(c23)CCCC3 -MOL_01_022927,Fc1cc(ccc1)CCc2n(CC)c(nn2)-c3ccncc3 -MOL_01_022928,CC(C=1)=Nc(c12)cc=3c(c2)N=C(N3)c4ccncc4 -MOL_01_022929,NC1C=Cc(n12)nc3c2cccc3 -MOL_01_022930,Cc1ccnc(c1)NC(=N)C(Cc2ccccc2)NC(=N)c3ccccc3 -MOL_01_022931,c1cnccc1CNc2cc(CC)c(CC)cc2C(C)Nc3cnccn3 -MOL_01_022932,Cc1onc(c1)C(NOC)c2ccccc2COc3cc(C)ccc3C -MOL_01_022933,Cc1cc(C(C)O)nc(c12)cc(N)cc2 -MOL_01_022934,NCc1cccc(c1)CN2CCCC(C2)CN(CN)c3cccnn3 -MOL_01_022935,CCCCCCNC(N)CN(C1N)c2cccc(c2c13)ccc3 -MOL_01_022936,NCc1cc(ccc1)CNC(C)c2ccc(cc2)Cc3ncnc(c34)cc(CN)c(c4)CN -MOL_01_022937,CNc1nc(C)ccc1CC(C)C(=O)Nc2cccc(C)c2 -MOL_01_022938,NC(N)c1ncc(cc1)-c2ccc(CN)c(c2)CC(CC34)C(C3)CC4 -MOL_01_022939,Cc1cccc(c1)/C=C/c2cnc(cn2)N(CC3(N)N)C(N)N3C -MOL_01_022940,CCN(CC)Cc(c(c1)NC)cc(c12)nc(C)c(n2)C -MOL_01_022941,c1cc(Cl)ccc1C(CN)(c(cc2)ccc2Cl)C(C(C)=N)Cc3nc(C)cc(n3)C -MOL_01_022942,c1ccccc1CN2C(=C)N(C(=O)C2)c3ccc(C(=O)O)cc3 -MOL_01_022943,CCc1ccc(cc1)NC(N)CNC(c2ccccc2)c3ccccc3 -MOL_01_022944,Cc1cc(C)c(c(C)c1)CN2CCOC(C2)CNC(=N)c3cc(Cl)c(N)cc3ON -MOL_01_022945,CCc1ccc(CC)c(c1)NC(=O)CCCC(=O)NC2CCCCC2 -MOL_01_022946,Cc1cccc(C)c1-c2cc(C)c(cc2)-c3cnc(N)cn3 -MOL_01_022947,NCc1nn(c(=O)o1)Cc2ccc(cc2)NC(=O)c3ccccc3 -MOL_01_022948,CC(C)c1ccc(cc1)CCc2cn(nn2)CCN(C3)CCc(c34)cc(CN)c(c4)CN -MOL_01_022949,NCc(c1)c(CN)c(CN)c(c12)n3c(cc2C)c4c(c3)cccc4 -MOL_01_022950,CCCCCCCCCC(O)c1c(C)c(n(C)c1C)CCC(O)O -MOL_01_022951,c1ccccc1-n2nc(N)c(NC)c2Cc3ccccc3 -MOL_01_022952,CCc1cc(O)cc(c12)nc(C(C)(C)C)nc2O -MOL_01_022953,Cc1cc(ccn1)CCc2cn(c(n2)C)-c3cccc(c3)CN -MOL_01_022954,C1CCCC1Nc2cc(ccc2NC)C3CCN(C3)C(N)c4ccccc4 -MOL_01_022955,c1ncnn1CC(C)(c2c(C)cc(C)cc2)CN(C)Cc3ccccn3 -MOL_01_022956,C=C(N)CCc1c(C)nc(C)c(c12)cc(CN)c(c2)CN -MOL_01_022957,CC1=CCC(N12)=NC(NC2=O)(C(C)(C)C)C(C)(C)C -MOL_01_022958,Clc1ccccc1CC2CCN(CC2)c3nccnn3 -MOL_01_022959,CCCc1ccc(cc1)-c2nc(no2)Cn3cnc(C=O)c3 -MOL_01_022960,CNc1c(NC)cc(cc1NC)C(N)c2ccnc(c23)cccc3 -MOL_01_022961,CN(C)CCNC(N1O)=NN(O)c(c12)ccc(c2)C(C)(C)C -MOL_01_022962,Cc1nn(C)c(=N)cc1-c2ccc(cc2)CCCCN3CCCC3C -MOL_01_022963,NCc1ccc(cc1)C(=O)CCc2ncnc(c23)cc(Cl)cc3 -MOL_01_022964,Cc1cccc(C)c1NC(O)n2nc(N)c(c23)cccc3 -MOL_01_022965,Cc1ccccc1-n2cnnc2CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_022966,NC(=O)c1ccc(nc1)Cc2ccc(cc2F)CNCCC(N)N -MOL_01_022967,Nc1ccc(nn1)N2CC(C2)c3nccc(n3)N -MOL_01_022968,CCc1cccc(c1)-c2ccc(nn2)CCC(=O)NC3CCCCC3 -MOL_01_022969,NC1(N)C=Nc(n12)nc3c2cccc3 -MOL_01_022970,CC(N)c1ccccc1-c2cccc(c2)-c3cc(N)cc(c3)N4CCNCC4 -MOL_01_022971,NCc1ccc(cc1CN)CCNC(=C)CN(C(=C)N2)C(=C)C23CCC(CC3)C(C)(C)CC -MOL_01_022972,C=C(C)Nc1ccc(cc1)NC(=C)CCc2ncnc(c23)cccc3 -MOL_01_022973,Fc1ccc(cc1)NC2=C(C(N)CCC)CN(C2N)c3ccc(F)cc3 -MOL_01_022974,c1nccnc1C(O)NCCNC(O)c2ccc(o2)-c3ccc(Cl)c(Cl)c3 -MOL_01_022975,C1=CC=C(C1=2)C=C(C2Cl)C(=O)Nc3ccc(cc3)C4=NCCN4 -MOL_01_022976,Cc1c(C(C)C)c(N)cn1C(N)N2CCC(CC2)Cc3ccccc3 -MOL_01_022977,NCc(c1)c(CN)cc(c12)cc(c(n2)N)C(N)Nc3ccccc3 -MOL_01_022978,CNc1cc(CN)c(cc1Cl)C(=N)NC2CCN(C2)C(C34)C(CCC3)CCC4 -MOL_01_022979,CCOC(=O)CCc1c(C)nc(c(CN)c1C)CCCN2CCCC2 -MOL_01_022980,CCCN1CCC(CC1)CCc2nc(cccc3)c3c(c24)ccc(c4)CN -MOL_01_022981,CCCN1CCN(CC1)C(=O)c2nc(ccc2Cl)CCCCN -MOL_01_022982,c1cnccc1CC(C(=N)NC2(CN)CC2)NC(=N)c3ccc(cc3)-c4ccccc4 -MOL_01_022983,Cn1c(C)nnc1CCC(=C)NCc(c2)ccc(c23)NC(=C)CC3 -MOL_01_022984,FC(F)(F)c1cc(ccc1)C(C)NCC(C)NC2CN(C2)C(CC3)CCC3(C)c4nccn4C -MOL_01_022985,NCc1cc(N)c(cc1CN)C2=NN(CC2)C(O)c3ccccc3 -MOL_01_022986,COc1ccc(cc1)Cn2c(CO)cnc2CCC(=O)Nc3cccc(c3)NC(=O)C -MOL_01_022987,C1CC(N)C(=C)Cc(c12)c(ccc2)-c3ccnc(c3)CN -MOL_01_022988,Clc1ccc(cc1Cl)CC(=N)N(C)C(CN2CCCC2)c3ccccc3CN -MOL_01_022989,Cc(c1)cc(n12)nc3c(c2O)cc(cc3)C(C)O -MOL_01_022990,NCc1ccc(cc1C)N(C)c2ccnc(Cl)n2 -MOL_01_022991,C1CCC(N)=NC1(C)c2cccc(c2)NC(=O)C3CCCCC3 -MOL_01_022992,NCc(c1)c(CN)cc(c12)nccc2Cc(c3)ccc(c34)c(ccc4)C(N)NC5CC5 -MOL_01_022993,c1ccnn1-c2ccccc2NC(=N)c3ccccc3C(=N)c4ccccc4 -MOL_01_022994,C=C(N)N1N=C(C(C)(C)C)CC1c(c2)ccc(c23)CCC3 -MOL_01_022995,CCCC(=N)c(c1)cc(n12)c(nc(c2)C)/C=C/c3ccc(Cl)cc3 -MOL_01_022996,C1NCc(c12)ccc(c2)NC(=N)c3cccc(c34)CN(C4=N)C5CCCCC5 -MOL_01_022997,Cc1cc(C)cc(c1)CCCC(=O)NC2CC(=O)N(C)C2 -MOL_01_022998,C1CCC1N(C)CC2CCCCN2C(=N)Cc(c3)ccc(c34)C(=N)CCC4 -MOL_01_022999,NC(C1)Nc(c12)cccc2NCCN(C)CCCC(N)c3ccc(F)cc3 -MOL_01_023000,CNc1ccccc1NC2=C(C(=O)CC2)c3cccc(Cl)c3 -MOL_01_023001,CCNC(N)c1cccc(c12)cc(cc2)Cc3ccnc(c34)cc(CN)c(c4)CN -MOL_01_023002,CCN(CC)CCCNc1cc(NC)cc(c12)ccc(n2)NC -MOL_01_023003,C=C(N)c1nn(CC)cc1NC(=C)c2c(C)nn(C)c2C -MOL_01_023004,CCCc1cc(ccc1CC)C2(CN)CCN(CC2)CC(=O)C -MOL_01_023005,Cc1cc(C(C)O)nc(c12)cccc2CN -MOL_01_023006,Cc1ccc(c(C)c1)-n2ccnc2CCC(O)O -MOL_01_023007,c1cccnc1C(=N)N(CCC)Cc(c(n2)C)cc(c23)ccc(c3)C -MOL_01_023008,COC(=O)CCC/C=C1\CCC(C1NC(=O)C)NC(=O)c2ccccc2 -MOL_01_023009,CCN(CC)CCC1CCCCN1CC(=N)N(C(C)CC(=N)N2)c(c23)cc(Cl)cc3 -MOL_01_023010,CCCCNC(O)c1ncc(c(O)c1C)C(O)NCc2ccc(F)cc2 -MOL_01_023011,CCCC(C1N(C)C)=Cc(c12)cc(CN)c(c2)CN -MOL_01_023012,Cc1ncccc1C(=N)N2CCCC(C2)CNC(=N)c3ccc(cc3)-c4ccccc4 -MOL_01_023013,CC(C)(C1)C=Cc(c12)c(CN)c(cc2)C(=N)C(F)c3ccc(CN)c(c3)CN -MOL_01_023014,Cc1ccc(c(C)c1)C2(N)N=C(N)C=CC2CCN -MOL_01_023015,Nc1ccccc1CC(=N)N(C)C2CCCCC2N3CCCC3 -MOL_01_023016,CC(=O)C1(CC1)c2ccc(cc2)-c3ccc(cc3)-n4cnnc4NC(=O)CC(C)c5ccccc5 -MOL_01_023017,CCC(=N)c1cc(F)c(cc1C)N2CCN(CC2)C(=N)Cc3ccccc3 -MOL_01_023018,CC(C)(C)c1ccc(cc1)C(N)NCCNC(N)c2c(Cl)nc(n23)cccc3 -MOL_01_023019,Fc1cnccc1NC(N)c2ccc(CN)c(c2)-c3cccc(c3)C(N)CCC4CCCCC4 -MOL_01_023020,Cc1ccc(NCN(C)C)cc1C2(N)CCCC(=N2)N -MOL_01_023021,Fc1cccc(F)c1C(=O)NC(C(=O)CC)CCC(=O)c2c(F)cccc2F -MOL_01_023022,Cc1ccc(cc1)C(=O)NC(C(C)C)C(=O)CCC(=O)Nc2ccc(CN)nc2 -MOL_01_023023,CC1CCN(CC1)c2ncc(C(C)O)c(n2)CCc3ccc(F)cc3 -MOL_01_023024,Fc1ccc(cc1)NCc2nnc(n2CC)CCC(=O)Nc3ccccc3ON -MOL_01_023025,FCCCc1cccc(c12)C(=C)N(CC2)CCCN(C3)CCc(c34)cc(CN)c(c4)CN -MOL_01_023026,NCc1ccc(F)cc1C(C)(C)CC(N)(C(F)(F)F)Cc2ccc(CN)cc2Cl -MOL_01_023027,Fc1cc(F)ccc1COc2c(CN)c(=N)n(cc2)Cc3cccc(F)c3 -MOL_01_023028,NCc1cccc(c12)CC(CC2)NCc3cnn(c3)-c4ccccc4F -MOL_01_023029,NC1CCC(CC1)CNC(=N)C2CCCN2C(=N)C(C3)C3(c4ccccc4)c5ccccc5 -MOL_01_023030,CCCC(=O)C1=C(C)CC(N)=C(CN)C1c2ccc(C)cc2 -MOL_01_023031,NCc1ccc(nc1)NC2CC(C2)Cc3ncccc3C4CCCCC4 -MOL_01_023032,CC(=N)c1cc(F)c(cc1C)N2CCN(CC2)C(=N)CCc3ccccc3F -MOL_01_023033,Cc1ccc(CN)c(n1)NC(=O)CCc2c(C)nn(C)c2C -MOL_01_023034,NCCC(=C)CNC(=C)CC(c1cc(CN)c(CN)c(c1)CN)N(C2=C)Cc(c23)cccc3 -MOL_01_023035,O=C(N=1)C=c(c12)c(ccc2C)C(C)CNC(C)C3CCCCC3 -MOL_01_023036,C1CCCN1CCn2c(N)cc(c23)cc(cc3)C(N)c4ccccc4 -MOL_01_023037,CNC(C)C(=N)NC1CCC(CC1)CCN2CCC(CC2)c3cccc(c34)NCN4 -MOL_01_023038,c1ccccc1C2(c3ccccc3)C(=N)CC(C2)Cn4ccnc4CCN -MOL_01_023039,CCCc1ccc(cc1)C(=O)NCC(=O)CCc2c(F)cccc2Cl -MOL_01_023040,Cc1cc(ccn1)/C=C/c2cn(c(n2)C)-c3ccc(CN)cc3 -MOL_01_023041,CC(=O)C(C)(C)N(CC1)CCC1(CN)c2ccc(CC)c(c2)CC3CCCC3 -MOL_01_023042,FC(F)(F)c1c(CC)ccc(c12)c(ccc2)C(=O)N(CC(=O)C)CC(=O)C -MOL_01_023043,c1ccccc1C(=N)NC(c2ccccc2)CC(=N)N3CCN(CC3)c4ccccc4 -MOL_01_023044,CCOc1ccc(cc1)Cc2nnc(nc2O)CCC(=O)Nc3c(C)cccc3C -MOL_01_023045,CC(N)Nc(c1)ccc(c12)CCC(N2)(N)N -MOL_01_023046,OCCNC(O)c1nccnc1NCC(O)N2CCC(CC2)Oc3ccccc3Cl -MOL_01_023047,CCCCN(C1O)CCc(c12)nc3c(n2)cccc3 -MOL_01_023048,Cc1cccc(n1)C(N)N2CCCCC2c3ccc(cc3)CN(C)C -MOL_01_023049,CCCCCCCc1nn(c(nn2)N)c2c(c13)cccc3 -MOL_01_023050,Cn1ccnc1C(CC(N)N)c2ccc(cc2)CCc3cccc(c3)-c4ccccc4CN -MOL_01_023051,CN(C)CCCNc1cc(ccn1)-c(cc(c23)cccc3)c(c2N)-c4ccc(F)cc4 -MOL_01_023052,c1ccccc1N(C(=O)C)CC(C)NCC(C)c2ccc(C)c(c2)C(=O)N -MOL_01_023053,Cc1ccc(cc1)C(C)NCCc2ccc(c(c2)CN)NC(=O)Nc3cnc(cn3)CN -MOL_01_023054,Cc1ccc(cc1C)CCC(=N)NCC2(CCCCC2)N3CCN(C)CC3 -MOL_01_023055,Nc(n1)c(N)n(c12)ccc(N)c2CNc3ccccc3 -MOL_01_023056,NNc(c1)ccc(c12)n(nc2CN)CCCCCN3CCCCC3 -MOL_01_023057,CNc1ccc(cc1)/C=C(C2O)\Nc(c23)ccc(c3)N -MOL_01_023058,CCCCNCCNc1cc(C)c(cc1C)-c2ccc(C(N)N)cc2 -MOL_01_023059,c1cccc(c12)c(nnc2C)-n3nc(N)cc3N -MOL_01_023060,CC(N=1)=NC(=O)C(C12)=NC(=C2)c3ccc(O)cc3 -MOL_01_023061,c1cccc(c12)c(O)nc(=O)n2Cc3ccccc3 -MOL_01_023062,c1cccc(c12)CN(C2C)CC(C)Nc3cc(Cl)ccc3CN -MOL_01_023063,NCc1ncccc1CNC(=O)NC2CCCCc(c23)cccc3 -MOL_01_023064,Clc1ccc(cc1)NC(O)CCC(O)C2CCN(CC2)c3ccc(C(F)(F)F)cn3 -MOL_01_023065,Cn1nnnc1CCC(=C)N2c(cccc3)c3CCc(c24)cccc4 -MOL_01_023066,c1ccccc1C(C(=N)N2)CC23CCN(CC3)Cc4ccccc4CN -MOL_01_023067,CNc1ccc(cc1)Nc2ccnc(c23)nc(O)c4c3cccc4 -MOL_01_023068,CCN(CC)CCNc1cc(CC(C)(C)C(C2)N)c2c(c13)cc4c(c3N)cccc4 -MOL_01_023069,c1cccc(c12)N(CC(N2)O)C(O)CCc3ccccc3Cl -MOL_01_023070,C1CCCC1CCn2cc(c(=N)cc2C)C(=N)NC34CC5CC(C3)CC(C5)C4 -MOL_01_023071,Nc1cc(N)nc(n1)N2CCC(CC2)C(N)NCCc3ccc(Cl)cc3 -MOL_01_023072,Cc1cccc(c1)NC(O)CN2C=CN(C(O)=C2O)c(c3)ccc(c34)OCCO4 -MOL_01_023073,CCC(C)(C)NC(O)C1CCN(CC1)Cc2cccc(c2)NC(O)c3cccc(n3)C(F)(F)F -MOL_01_023074,CCCC(N)C1c(cccc2N)c2C(N)c(c13)c(N)ccc3 -MOL_01_023075,Cc1c(O)nc(-c2cn(C)cn2)nc1C(C)O -MOL_01_023076,OC(O)C(O1)=CC(O)C1(C)c2cc(F)cc(F)c2 -MOL_01_023077,Cc1nc(N)ncc1-c(c2)ccc(c23)CNC3 -MOL_01_023078,NCCCNC(O)C1CCN(CC1)C(O)Cn2c(O)cc(c23)ccc(Cl)c3 -MOL_01_023079,c1ccccc1CN2C(=C)N(C(C2)N)c3ccc(NC)c(c3)N(C)C -MOL_01_023080,CCOC(=O)NC(C(C)(C)C)(C(=O)OCC)Nc1ccc(C)c(C)c1 -MOL_01_023081,Nc1ncc(cn1)-c2c(C)c(c(cc2)C(C)(C)C)Cc3ncccn3 -MOL_01_023082,CCc1cccc(c1)-c2ccccc2C(C(=N)C3(C)C)=CC(=N)C3 -MOL_01_023083,c1ccoc1-c2nnc(n2C)CCC(=O)OCc3ccccc3 -MOL_01_023084,C1CCCC1NC(=N)N(C2c3ccc(Cl)cc3)CCc(c24)cc(CN)c(c4)CN -MOL_01_023085,CC(N)c1cc(F)ccc1CCC(N)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_023086,Cn1nnnc1CCCCNCc2cc(Cl)ccc2OCc3ccccc3 -MOL_01_023087,Cc1ccc(cc1)NC(=O)Cc2nnc(n2CC)CCC(=O)NCCc3ccccc3 -MOL_01_023088,CC(=N)CC(N)CC(=N)C1NC(=N)CCCCCCCCc(c12)cccc2 -MOL_01_023089,Cc1ccc(CN)c(c1)NC(C)c(c2C)cnc(n23)ccc3 -MOL_01_023090,c1ccccc1C2C(CN)=C(N)CC(=C23)CC(CC3=C)c4ccccc4 -MOL_01_023091,Cc1cccc(c1)C(N(C)C)CNCc2c(C(C)C)nn(C)c2CN -MOL_01_023092,NOc1cc(N)c(Cl)cc1C(=N)NCC2CN(CCO2)C(c3ccccc3)c4ccccc4 -MOL_01_023093,Cc(c1)ccc(c12)nc3c(n2)c(ccc3)C(C)NCCN(C)C -MOL_01_023094,c1ccccc1N(CC)CCCNC(N)CN(C(N)CC2)c(c23)cccc3 -MOL_01_023095,Cc(c1)ccc(c12)nc(c(c2)CN)CCC(=O)NCC3CCCC3 -MOL_01_023096,c1ccccc1C(CC2=O)CC(C2=3)Nc4c(NC3)cccc4 -MOL_01_023097,FNc1ccc(cc1C)C(=O)NCC(=O)CCC(=O)N(C(C)C)C(C)C -MOL_01_023098,Cc(c1)ccc(c12)CCC(CN(C)C)N(C2)C(N)c3cccnc3 -MOL_01_023099,CC(N)c1ccccc1NC(N)CCc(c2)ccc(c23)cccc3 -MOL_01_023100,CC(C)(C)CC(=C)NCC1CCN(C1)C(=C)c2ccccc2CCN -MOL_01_023101,Cc1ccc(cc1)C(C(=N2)CC)NC23CCN(CC3)C(O)NC4CCCCC4 -MOL_01_023102,CCCCCC(=O)c1c(C)oc(=O)c(c1C)C(=O)CCCCC -MOL_01_023103,C=CCNc(n(C)c1O)nc(c12)ccc2 -MOL_01_023104,c1cc(C)ccc1C(N)(c(cc2)ccc2C)C(N)NCCCN(CC3)CCC3(CN)c4ccccc4C -MOL_01_023105,CCC(N)CC(N)NC1CCC(CC1)CCN2CCC(CC2)c3cccc(c34)NCC4 -MOL_01_023106,CCC(C)C(C(=O)C)NC(=O)c1ccc(cc1)Cc(c(n2)C)nc(c23)cccc3 -MOL_01_023107,c1ccccc1-c2c(NCN)cc(C(C)N)cc2CCc3ccccc3 -MOL_01_023108,Cc1ccc(Cl)c(c1)CC2CCN(CC2)c3nccnn3 -MOL_01_023109,NCc1cccc(c12)CC(CC2)NC(=O)NC3CCN(CC3)C4CC4 -MOL_01_023110,C1CCN=C1NC(=O)C(C)NC(=O)c2ccc(Cl)cc2 -MOL_01_023111,C12CCN(CC1)CC2NC(=N)c(c3)cc(n34)cccc4N -MOL_01_023112,COCCOCCOCCOc1ccc(O)c(c1)C(=N2)CCC2(C)C(=O)O -MOL_01_023113,c1cccnc1C(=O)CC(C)C(=O)Nc(c2)ccc(c23)CCCC3 -MOL_01_023114,NCc1ccc(cc1)Nc2ncc(C)c(n2)CC3CCCC3 -MOL_01_023115,CCCc1ccc(cc1)NC(C(N(C)C)C(C)C(C)C)n2cncn2 -MOL_01_023116,NCCCCC(=C)C1=C(C)NC(C)=C(C(=C)CCCCN)C1c2cccc(c2)NC -MOL_01_023117,C1C(C2)CC(C3)CC1CC23Nc(n4)c(N)nc(c45)c6c(cc5N)cccc6 -MOL_01_023118,NCc1ccc(cc1)Cc2ccnc(c23)cc(CN)c(c3)CN -MOL_01_023119,Fc1ccc(cc1)C(=N)C2CCN(CC2)C(=N)c3ccc(F)cc3Cl -MOL_01_023120,N=C(N)C1CCC(=N)N1C(c(cc2)ccc2NC)c(c3)ccc(c34)NCN4 -MOL_01_023121,c12ccc(C)c(c1)Cc3ccc(cc3)CCNC(=O)CNC(=O)CC2 -MOL_01_023122,CNc1ccc(c(c1)C(C)O)NCCCc2ccccc2 -MOL_01_023123,CCCCNC(O)C1CCN(CC1)Cc2cccc(c2)NC(O)c3cccc(n3)C(F)(F)F -MOL_01_023124,Cc1ccccc1-n2cc(cn2)NCC(CC3)CCC34CC(C)N(C4)c5ccnnc5 -MOL_01_023125,CCc1c(C(=O)C)cccc1C(=O)NCc2cccc(Cl)c2 -MOL_01_023126,CC(C)C(N)NCc(c1)ccc(c12)Cc3c(cccc3)CC2N4CCN(C)CC4 -MOL_01_023127,c1cnccc1C2=NN(C(O2)=C)CN3CCN(CC3)c4ccccn4 -MOL_01_023128,COc1ccc(cc1OC)CC(O)Nc2ccccc2C(O)N3CCOCC3 -MOL_01_023129,CCN1CCC(CC1)CC(c2ccc(F)cc2)NC(N)c3ccc(NN)cc3 -MOL_01_023130,NCC(C)(C)c1ccc(cc1)-c2ccnc(CC)c2/C=C/c3ccc(N)nc3 -MOL_01_023131,c1ccccc1CN(CC)CC(N)CNC(c2ccc(NC)cc2)c3ccc(NC)cc3 -MOL_01_023132,CCCC(O)C1=C(NCC)N=CN(C1=2)CCN2 -MOL_01_023133,Cc(n1)c(C)nc(c12)nc(N)c(Cl)c2N -MOL_01_023134,c1cccc(c12)N(N)C(=C(C)N2N)C(N)CCc3ccccc3 -MOL_01_023135,CCCCc(c1N)c(N)nc(n12)nc3c2cccc3 -MOL_01_023136,NCc1ccc(Cl)c(c12)C=C(CC2)CN3CCC(C(=O)N)CC3 -MOL_01_023137,Cn1nc(N)c(c1N)NC(=O)CN2CCC(CC2)Cc3ccccc3N -MOL_01_023138,C=C(N)CC(C)NC(CC)c1ccc(CN)c(c1F)C(=C)c2ccccc2 -MOL_01_023139,CC1(C)NC(=O)N(C1=O)CC(C)CCc2cccc(c2)-c3ccccc3 -MOL_01_023140,CC1CNCCN1c2ccc(=O)n(n2)CCCc3ccccc3C(C)(C)C -MOL_01_023141,CCc(c(n1)C)cc(c12)cc(cc2)C(=N)C3CCC(CN)CC3 -MOL_01_023142,NCC(=C)C1=C(N)NC(N)=C(C(=C)CN)C1c2cccc(c2)CCC(=C)N3CCCC3 -MOL_01_023143,NCc1ccc(cc1)N(C(=C)C)Cc(c(n2)C)cc(c23)ccc(c3)C -MOL_01_023144,C1CCCC1CNCC(=N)Nc(c2)ccc(c23)n(CN)c4c3cccc4 -MOL_01_023145,NCc1ncc(cc1)C2=CC(=C)CC(C2)c3ccc(CN)c(c3)CN -MOL_01_023146,c1cccc(c12)c(cc(n2)C)CNc3ccc(cc3)NC4(C)C(N)NC(N)NC4N -MOL_01_023147,CCc1ccc(NC)cc1C(=O)NC2CCCN(C2)CC -MOL_01_023148,Cc1ccc(cc1)-c2nc(N)nc(C)c2Cl -MOL_01_023149,NC(N)c1ccccc1NC(N)CCN2CCN(CC2)c3ccccn3 -MOL_01_023150,Cc1ccc(nc1)C2(C)CCN(CC2)Cc3nccc(CN)c3CN -MOL_01_023151,c1cccc(c12)c(nnc2C)CC(C)NCc3ccccn3 -MOL_01_023152,NCC(N)C(CC)(CC)NC(N)c1ccc(C2CC2)c(n1)CCC3CC3 -MOL_01_023153,Fc1ccccc1-n2cc(cn2)-c3ccncc3CCC4CCNCC4 -MOL_01_023154,CC(N)c1cc(Cl)ccc1NC(N)c2cccc(c2)C3=CCCCC3 -MOL_01_023155,COc1ccccc1NC(=O)c2nc(ncc2Cl)CCc3ccc(F)cc3 -MOL_01_023156,Clc1ccc(cc1)CCC(=O)NCCCNC(=O)c2ccncc2 -MOL_01_023157,Cc1cccc(c12)n(CN)c(n2)CN(C)CC(=O)N(C)C -MOL_01_023158,NC(N)c(cc1)cc(c12)ccn2CC(N)CNc3ccc(cc3)-c4ccc(F)cc4 -MOL_01_023159,CCC(O)c1ccccc1NC(O)CCCn2nc(NO)cc2C -MOL_01_023160,NCc1ccc(cc1)CNC(=O)c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_023161,CN(C)c(c1)ccc(c12)C(C(=C(C2)N)CN)c3cccc(N)c3 -MOL_01_023162,CC(=O)Nc1ccccc1CC(CC(=O)O)c2cccnc2 -MOL_01_023163,c1ccccc1-c2cc(-c3ccc(N)cc3)cc(n2)CCCCCCC(N)N -MOL_01_023164,Cc1ccccc1C2=NCC(O)N(C)c(c23)ccc(c3)N -MOL_01_023165,CCc1nc(C)c(CN)cc1-c2ccncc2 -MOL_01_023166,CCc1cc(N)c(NC)cc1C(=O)NC2CCN(CC2)CC3CCCC3 -MOL_01_023167,Cc1ccc(c(C)c1C(N)N)CCc2nc(c(o2)N)-c3ccc(Cl)cc3 -MOL_01_023168,NCc(c1)c(CN)cc(c12)C3C(CC2)Cc4c(C3=N)cccc4 -MOL_01_023169,CN1CCN(CC1)C(=N)CNC2CC2c3ccc(cc3)-c4ccc(F)cc4CN -MOL_01_023170,c1cccc(c12)C(=N)N(C2=N)C(C(C)CC)C(=N)N3CCCCC3 -MOL_01_023171,NCc1cccc(c1)-c(c2)ccc(c23)nc(N)cc3N -MOL_01_023172,CCCCNc1cccc(c1CN)NC(C)C(C)CCC -MOL_01_023173,c1cccc(c12)c3c(c(=N)n2CC)ccc(c3)NC(=N)Cc4ccncc4 -MOL_01_023174,NCCNC(=O)c1cccnc1Cc2ccc(cc2)Nc3ccccn3 -MOL_01_023175,COc1ccc(cc1C(C)C)Oc2c(N)cc(cc2N)CC(N)C(=O)O -MOL_01_023176,CCCc1ncccc1C(=O)N2CCN(CC2)C(=O)c3ccccc3 -MOL_01_023177,c1ccccc1C(C(=O)NC(=O)NC)N(C)CC(C2)CCc(c23)cccc3 -MOL_01_023178,Clc1cccc(F)c1CC(N)Nc2ccccc2C(N)N3CCCCC3 -MOL_01_023179,COc1ccc(O)c(c1)/C=C/C(O)c2ccccc2 -MOL_01_023180,Cc1ccc(cc1C(C)(C)C)C(=N)N2CCN(CC2)c3ccccn3 -MOL_01_023181,Fc1cc(F)ccc1C(=N)N2CCN(C(=N)C2)c3ccc(cc3)NCCCN4CCCCCC4 -MOL_01_023182,C1C(C2)CC(C3)CC1CC23C(=N)N(C4)CC(C45)CN(C5)c6cnccc6CN -MOL_01_023183,c1ccccc1CC(CC(C)=N)NC(=N)C(Cc2ccccc2)NC(=N)c3ccccc3Cl -MOL_01_023184,NCc1cccc(c12)C=C(CC2)C(=O)NCc3ccc(Cl)cc3Cl -MOL_01_023185,CCc1ccc(cn1)Cc2ncc(cn2)/C=C/c3ccc(cc3)CC(C)NC(C)C -MOL_01_023186,n1cccn(c12)ncc2C(=C)NCCc3ccc(CC)c(c3)CC -MOL_01_023187,NCc1ccccc1CCC(=C)N2CCN(CC2)c3ccccc3CN -MOL_01_023188,C1CCCCC12C(C(=C)N)C(=NC(N)=C2CN)CCc3cccc(c34)cccc4 -MOL_01_023189,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)-n3ccc(C=O)c3 -MOL_01_023190,CNc1ccc(cc1N)/C=C(\CN)c2ccc(NC)c(c2)NC -MOL_01_023191,CC(N=1)=NC(=O)C(C12)=NC(=C2)c3ccc(F)cc3 -MOL_01_023192,NCc(c1)c(CN)cc(c12)cc(C(=C)N(C)C)c3c2cnc4c3cc5c(c4)CCC5 -MOL_01_023193,NCc1cc(CN)ccc1C(=N)C2CCCN(C2)Cc3c(F)ccc(F)c3F -MOL_01_023194,CN(C)c1ccc(cc1)C(=N)N2CCNC(=N)C2CC(=N)Nc3ccc(F)cc3 -MOL_01_023195,c1cccc(c12)C(N)C(=CC2N)N3CCN(CC3)c4ccccc4 -MOL_01_023196,CCc1cc(C)c(N)c(c12)CCc3c2ccc(C)c3N -MOL_01_023197,O=C(O)C(C)Cc1ccc(cc1)Cc(n2)cnc(c23)ccc(Cl)c3CN -MOL_01_023198,FN(F)Cc1cc(ccc1)CNC(N)Nc2ccc(cc2F)C3CCCNC3 -MOL_01_023199,c1ccc(n12)nc(cc2N)CCc3ccc(cc3)NC(N)c4ccc(F)cc4 -MOL_01_023200,NCc(c1)c(CN)cc(c12)CCCC2(C)CCN3CCN(CC3)c4ccc(F)cc4 -MOL_01_023201,c1ccccc1NC(=C)Cc2c(CN)cc(cc2CN)C(C3)CC(=C)c(c34)cccc4 -MOL_01_023202,CCC(O)CN(C1O)c2cccc(c2c13)ccc3 -MOL_01_023203,CN(C)CCCOc1c(ON)ccc(c12)c(cc(c2)N)Nc3c(Cl)cncc3Cl 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-MOL_01_023256,CCCC(=O)c1c(ccn1C)-c2ccc(CN)cc2 -MOL_01_023257,CNc1ccc(cc1)NCCN2CCC(CC2)C(=N)NC(c3ccccn3)c4ccc(C)cc4 -MOL_01_023258,c1ccccc1CC2(C(N)CCC)CCN(CC2)Cc(c3)cc(CN)c(c34)CNC4 -MOL_01_023259,C1CCCCC12C(=NC(C)(C)C2(CN)C(=N)CN)c3ccccc3 -MOL_01_023260,CCC(C(N)N)Cc1ccc(NC)c(c1)C(N)NCc2cccc(c2)Nc3ccccc3 -MOL_01_023261,COc1cc(OC)cc(c1)C(O)Nc2nnc(n23)CCC3 -MOL_01_023262,CN1CCN(CC1)C(=O)CC(=O)N2CC=CC2CCc3ccccc3CN -MOL_01_023263,CCCc1nc(cc(N)c1CN)C(=O)NCc2cccnc2 -MOL_01_023264,c1ccccc1-c2cc(N)c(c(c2)N)C(N)Nc3cccc(C(F)(F)F)c3 -MOL_01_023265,CNc(c1)ccc(c12)n(cc2)CCCCC(=O)c3cccnc3 -MOL_01_023266,NCc1ccc(cc1CN)NC(=C)c2ccc(CC)c(c2)C(=C)NC3CCN(CC3)C(=C)CCC -MOL_01_023267,CCCC(=C)CC1CCc(cc(CN)c(CN)c2CN)c2c(c13)ccc(c3)CN -MOL_01_023268,CNC(N)c1cccc(c12)cc(cc2)Nc3ccnc(c3)NC(N)c4ccc(cc4)C5CCNCC5 -MOL_01_023269,c1cncnc1C(C)NC(=O)Cc(c(Cl)c2)cc(c23)CCCC3 -MOL_01_023270,NCc1c(Cl)cc(cc1CN)CNCc2ccnc(c2)N3CCCCC3 -MOL_01_023271,c1cncnc1C2=CC(=C)N(C)C(=N2)N3CCN(C)CC3C -MOL_01_023272,Cc(c1)c(C)cc(c12)nc(c(n2)C(F)(F)F)C(N)c3ccccc3 -MOL_01_023273,CN1CNCC1NC(C)c2ccc(C3CC3)c(n2)CNC4CC4 -MOL_01_023274,Cc1ccc(cc1)NC(O)N2N=C(N)CC2c3ccc(C)cc3 -MOL_01_023275,CCC(O)NCCCNC(O)c1ccc(cc1)-c2ccccc2 -MOL_01_023276,CC(C)CC(=O)N(CC1)CCC12CC(C2)CCCCc3ccc(c(F)c3)C(=O)NCC(=O)N -MOL_01_023277,CCNc(c1)ccc(c12)cc(c(n2)N)CN -MOL_01_023278,CNc1ccc(cc1)CCC(N)c(c2N)ccc(c23)NC(C)(C)C=C3 -MOL_01_023279,COCC(C)NC(NO)c1ccc(C)nc1Oc2cccc(c2)C(C)C -MOL_01_023280,Clc1ccc(cc1)C(N)CCC(N)N2CCN(CC2)Cc3ccccc3 -MOL_01_023281,Nc(c1)ccc(c12)CCN(C2)C(N)c3ccc(N)nc3 -MOL_01_023282,CNc1ccc(cc1NC)CCC(N)c2cc(F)ccc2NC(N)c3ccccc3C -MOL_01_023283,CN(C)CCCNc(n1)ccc(c12)c3c(cc2)c4c(cn3)cc5c(c4)CNC5 -MOL_01_023284,NCC(C)Cc1c(C)c(C)c(cc1)NCC(N)N -MOL_01_023285,n1cccc(c12)c(Cl)cc(c2C)CNCCCN(CN)CN -MOL_01_023286,NCc(c1)ccc(c12)n(c(c2)N)Cc3cccc(c34)cccn4 -MOL_01_023287,NCc1ccc(cc1)CCC(N)(Cc2ccccc2)C(N)Nc3ccc(CN)c(C(F)(F)F)c3 -MOL_01_023288,NCc1cccc(c12)ccc(n2)CN3CCN(CC3)c4ncccn4 -MOL_01_023289,NC1CN(CC)Cc(c12)c3c(cc(NC)c(c3)NC)c4c2cc(NC)c(c4)NC -MOL_01_023290,CCc1ccc(cc1)C(CN)c(c(n2)C)nc(c23)cccc3 -MOL_01_023291,NCc1c(CN)cc(cc1CN)C(=N)N2c(cccc3)c3Cc(c24)ccc(Cl)c4 -MOL_01_023292,CC1(N)CCN(C1)Cc2cc(C)c(cc2)C(=N)Cn3ccc(cc3=N)CCc4ccccc4 -MOL_01_023293,OC1CCCN1C2CCC(CC2)C(O)Nc3ccc(cn3)-c4cc(F)cc(F)c4 -MOL_01_023294,CC(=O)Cc1ccc(CN)c(c1)C(=O)NCc2ccc(C(F)(F)F)cc2 -MOL_01_023295,CNc(c1)c(NC)cc(c12)cc(nc2N)CCCNC(N)c3ccc(C(F)(F)F)cc3 -MOL_01_023296,Fc1ccc(cc1F)CNC(=N)CCC2CCCN(C2)C(=N)c3ccccc3C(=N)CN -MOL_01_023297,O1COc(c12)cc3c(c2)C(O)N(C3O)CCC4CCN(CC4)Cc5ccccn5 -MOL_01_023298,CCC1CC(=O)C1NC(=O)CCc2ccc(cc2)-c3ccccc3 -MOL_01_023299,c1ccccc1CN2C=C(C(C)=N)C(C=C2)CC(C3=N)CCc(c34)cc(CN)c(c4)CN -MOL_01_023300,CNc1ccc(c(c1)NC)C(N)CCc2cccc(c2)CN -MOL_01_023301,CNc1c(NC)cc(cc1NC)CCC(N)Nc2cc(C)ccc2C(C)C -MOL_01_023302,O=C(N=1)C=c(c12)cc(cc2)Nc3nccc(n3)-c4ccccn4 -MOL_01_023303,CCCNc1ccccc1C(N)CCC(N)N2CCN(CC2)c3ccccc3 -MOL_01_023304,CCN(CC)C(N)c1ccc(cc1)C(=C2)c(cccc3C)c3CC24CCNCC4 -MOL_01_023305,Nc1ccc(nc1)NC2CCCc(c23)cccc3 -MOL_01_023306,C=C(C)c1ccc(c(c1)CN)CCC(C)Cn2nc(C)c(C(=C)C)c2C -MOL_01_023307,Cc1ccc(cc1)CC2C(O)CCc(n23)ccc3CO -MOL_01_023308,CC(=N)C1(CC1)N(CC2)CCC2(CN)c3ccc(CN)c(c3)CC4CCCC4 -MOL_01_023309,CC(C)(C)C(N)Nc(n1)cn(c12)cc(N)cc2 -MOL_01_023310,Cc1ccc(n12)nc(cc2O)COC(O)c3cccc(c3)N(C)C -MOL_01_023311,Cc1cc(n(n1)C)NC(O)NCc2cccnc2CC3CCCC3 -MOL_01_023312,COc1ccc(OC)c(c1)CC2(C)N=C(O)N=C2O -MOL_01_023313,CCC(C)(C)NC(=O)CN(C1CC1)C(=O)C(=O)Nc(c2)ccc(c23)CCCC3 -MOL_01_023314,Cc1ccc(cc1)C2CC(=NN2C(C)O)c3ccncc3 -MOL_01_023315,NCc1cc(ccc1)-c2ccc(cc2)NC(=C)C3CCCN(C3)Cc4cccc(CN)c4C -MOL_01_023316,CCC(C(=N)N)Cc1ccc(NC)c(c1)C(=N)NCc2cccc(c2)Nc3ccccc3 -MOL_01_023317,CCCOc1ccc(cc1OC)CC2CC(N)NC2=O -MOL_01_023318,CC(C)CCNc1ccc(cc1)CC(C2N)Nc(c23)cccc3 -MOL_01_023319,CC(O)c1nc(O)nc(O)c1CCc2ccccc2 -MOL_01_023320,Clc1ccnc(c1)C(=N)NC2CCCc(c23)cccc3 -MOL_01_023321,Cc1ccc(C)c(c1)NC(O)c2ccc(c(c2)NO)-n3cncn3 -MOL_01_023322,c1cccc(c12)nc(C)c(n2)C(=O)C(C)c3ccccc3 -MOL_01_023323,CCN(CC)CCNC(C(C)(C)C1)Cc(c12)c3c(c(c2)CN)c(N)c4c(c3)cccc4 -MOL_01_023324,C1CCCCC1NC(=O)c2cc(ccn2)Cc3cncnc3 -MOL_01_023325,Cc1ccc(cc1C)C(=N)CNC(=N)c2ccc(cc2)N(C3=N)C(=N)C(C34)CCCC4 -MOL_01_023326,N=C(N)CCCCC1(c2ccccc2)CC(=N)C(=C(N)N1)CCCc3ccccc3 -MOL_01_023327,Nc1cc(N)n(n1)-c2cc(ncn2)N3CCCCC3 -MOL_01_023328,Nc1cccnc1NC(=N)C(N)c2ccc(c(F)c2)-c3ccccc3 -MOL_01_023329,NCC(=C)C1=C(C)NC(C)=C(C(=C)CN)C1c2ccc(N(C)C)cc2 -MOL_01_023330,C1CCC1(N(C)C)c2nc(C)c(C)c(n2)C(N)NCc3ccc(F)cc3 -MOL_01_023331,Clc1cc(cc(Cl)c1)C(N)NCC2(CN)CCN(CC2)Cc3cccc(c3)ON -MOL_01_023332,NCc(c1)ccc(c12)nc(C)c(c2C)CN3CCCC(C)C3 -MOL_01_023333,Cc1ccccc1Cn2nnc(c2C)C(C)Nc3ccc(Cl)cc3 -MOL_01_023334,Cn1nc(N)c(c1N(C)C)CNCc(c2)ccc(c23)cc(cc3)CN -MOL_01_023335,NC(=O)c(cc1)cc(c12)c3c(C2(C)C(C)(C)C)cccc3 -MOL_01_023336,Cc1nc(N)nc(c12)cc(N)c3c2ccc(Cl)c3 -MOL_01_023337,Cc1cccc(n1)NC(=O)CNC(=O)c(c2)ccc(c23)CCC3 -MOL_01_023338,c1ccccc1CN2CCC(C2=N)N3CCC(CC3)c4ccc(N)c(F)c4 -MOL_01_023339,c1ccccc1C(=O)CCc2n(CC)c(nn2)CNC(=O)c3ccco3 -MOL_01_023340,CNc1cccc(c1)-c2cccc(c23)CCC(N)C(C3)O -MOL_01_023341,CC1(C)CCC(CC1)C(O)Nc2cccc(c2)C3(C)CCCC(=N3)N -MOL_01_023342,CCCC(=O)C(N=1)=NC(=O)C(C12)=C(C)C(=C2)CC(C)C -MOL_01_023343,Cc1ccc(cc1)C(C(C)C)C(=N)NCCCN(CC2)CCC2(CN)c3ccccc3C -MOL_01_023344,CC1(C)CC(N)N(C1)c2ccc(cn2)/C=C/c3cncc(Cl)c3 -MOL_01_023345,Fc1ccccc1-c2oc(C)c(n2)CCCC(=O)NCCc3ccccc3 -MOL_01_023346,CCNc(n1)nc(NCC)n(c12)c(nn2)CCC(=O)Nc3ccccc3Cl -MOL_01_023347,CCc1ccc(cc1)CN(C(N)C(C2)C3)C(N)C23c4ccc(N)cc4 -MOL_01_023348,C=C1C=C(C(C)C)C=CC(=C1CN)C(c2ccc(CN)cc2)C3=CC=C(C(C)C)C=C(CN)C3=C -MOL_01_023349,CCCc1ccccc1NC(=O)CCc2cccc(c2)-n3cnnn3 -MOL_01_023350,CCc1nnc(n12)CC(CC(C)C)C(=N2)c3ccccc3 -MOL_01_023351,CC(=N)NCc(c1)ccc(c12)Cc3c(cccc3)CC2N4CCN(C)CC4 -MOL_01_023352,COc1ccccc1CC2(C)CC(O)=C(C)C2=O -MOL_01_023353,CN(C)CCOc1ccccc1C(N)Nc2ccccc2C(N)Nc3cccc(C(F)(F)F)c3 -MOL_01_023354,CC12CC3CC(C1)C(C(C3)C2)NC(=N)c4cccc(n4)N5CCCCC5 -MOL_01_023355,C1CCCCN1c2nc(C)c(c(n2)N)CCCCN -MOL_01_023356,CCCc1ccccc1N2CCN(CC2)CC(=N)NC(C)c3ccccc3 -MOL_01_023357,c1ccccc1N(C(O)CC)C2(C(O)ON)CCN(CC2)CCn3ncnn3 -MOL_01_023358,CN(C)CC(C)Cc1nc(cnc1CN)Nc(nc2)cc(c23)cccc3Cl -MOL_01_023359,CCOc1ccccc1CNC(NO)c2cccnc2Oc3ccc(CC)cc3 -MOL_01_023360,CNc1ccc(cn1)C(CC(N)N)CCCC(N)CCc(n2)ccc(c23)CCC=N3 -MOL_01_023361,NCc(c1)cnc(n12)nc(n2)CCc3ccccc3 -MOL_01_023362,CNc1ccc(cc1)CCN2CCC(CC2)C(N)(c3ccccc3)c4ccccc4 -MOL_01_023363,Cc1cccc(c1)/C=C/c(n2)ccc(c23)C(N)N(C)CC3 -MOL_01_023364,CC(=O)CCC(=O)Nc1ccc(cc1)-c2ccc(CN)nc2 -MOL_01_023365,c1cc(N)cc(c12)NCC(\C2=N)=C/c3ccc(cc3)NCCN4CCNCC4 -MOL_01_023366,CNc1cccc(c12)cc(c(n2)N)C(N)Nc3ccccc3 -MOL_01_023367,Cc1ccc(n12)CC(\C2=O)=C/c3ccc(N(O)O)cc3 -MOL_01_023368,c1cc(N)cc(c12)CC(N)=C(CN)C2c3cccc(c3)CN -MOL_01_023369,Clc1ccc(cc1)-c2c(ncnc2N)/C=C/c3ccccn3 -MOL_01_023370,Cc1cc(C)nn1C(=C)c2cc(Cl)cc(Cl)c2CN -MOL_01_023371,CCCCNc(nc1O)cc(c12)c(NO)cc(c2)C(C)(C)C -MOL_01_023372,CC(C)(C)c1ccc(nc1)N2CCN(CC2)C(N)Nc3ccccc3 -MOL_01_023373,C1CCC(N)=NC1(C)c2cccc(c2)-c3cccc(c3)CN -MOL_01_023374,C1CCCCN1CC2(C)CCN(C2)C(O)c3nnc(O)c(c34)cccc4 -MOL_01_023375,NCc1ccc(F)c(c12)CCC(C2)N(CCC)CCCCN(C(=N)C3)C(=N)CC34CCCC4 -MOL_01_023376,Cc1ccc(cc1)C(=N)Nc2cc(CCN)cc(c2)C3(C)CC=CC(=N3)N -MOL_01_023377,CC(C)(C)CCc1cc(C(=O)NCC(C)(C)C)ncc1C2CC2 -MOL_01_023378,CNc1ccc(cc1)C(N2)CC(N)c(c23)ccc(c3)NC -MOL_01_023379,C=C1CC(CC)CN1c2ccc(c(F)c2)-c3ccc(CN)nc3 -MOL_01_023380,CC(=O)CC(N)C(=O)NC(C(=O)CC)CC1CCCCC1 -MOL_01_023381,C1CNCCC1CC(N)NC2CCC(CC2)CCN3CCC(CC3)c4cccc(c45)NCC5 -MOL_01_023382,c1ccccc1CN(CC2)C(c(c23)ccc(N)c3)c4ccc(cc4)NCCN5CCCC5 -MOL_01_023383,C=C(N)c1ccc(c(c1)CN)C(N2)N=C(C23)N=CC=C3 -MOL_01_023384,CCN1CCCC1CNC(=O)c2c(CN)ccc(c23)cccc3 -MOL_01_023385,NCc1ccccc1NC(O)C(N2)Cc(c23)cccc3 -MOL_01_023386,Cc1ccc(cn1)C(N)N2CCCC(C2)Nc3ccc(CN)cc3 -MOL_01_023387,CCC(N)N(C)CC(C)c1cccc(c1)CCc(n2C)nc(c23)cccc3 -MOL_01_023388,CC(=O)NC(C)Cc1ccc(cc1)/C=C/c2ccc(nn2)-c3ccc(Cl)cc3 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-MOL_01_023405,CC(=N)Nc1ccc(cc1)NC(=N)C(Cc2ccccc2)NC(=N)C3CCC(C)CC3 -MOL_01_023406,CC(=N)c1ccccc1NC(=N)c2cc(F)c(F)cc2NC(=N)c3ccccc3F -MOL_01_023407,CC(O)c1ccc(cc1C)Nc2nnc(c(n2)O)-c3ccccc3 -MOL_01_023408,CNc1cc(CN)c(cc1Cl)C(=N)NCC2CCN(C2)Cc3ccccc3 -MOL_01_023409,c1cccc(c12)c(cn(c2=N)CC(C)C)NC(=N)NCc3ccccc3 -MOL_01_023410,CCCc1ccc(cc1CCC)NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2CN -MOL_01_023411,c1ccccc1C(=N)NCCCCN2CCN(CC2)c3cccc(n3)N -MOL_01_023412,CC(C)n1cc(cn1)C(=N)N2CCCC(C2)C(=N)c(c3)ccc(c34)cc(cc4)CN -MOL_01_023413,Clc1cc(ccc1)-c2ccc(Cl)c(F)c2C(O)NCC3CCNCC3 -MOL_01_023414,CCN(CC)Cc(c1)cc(OC)c(c12)C(O)c3c(C2O)cccc3O -MOL_01_023415,C1CCCCN1CCC(=N)Nc(n2)ccc(c23)cc4c(c3N)cccc4 -MOL_01_023416,CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)C3(C)CCCC(=N3)N -MOL_01_023417,CC1CC(=O)N=NC1c(c2)ccc(c23)OCCN3 -MOL_01_023418,CCc1cccc(n1)N(C)CCCc2ccc(cc2)CC3=CC(=O)NC3=O -MOL_01_023419,Cn1nc(N)c(c1N)C2CCCN2CCCc3ccccc3CN -MOL_01_023420,CCCc1cc(CN)c(cc1CCC)NC(C)c2ccnn2C -MOL_01_023421,CC(N)c1ccc(cc1)C(N)N2CCN(CC2)c3ccccc3C(C)(C)C -MOL_01_023422,C1CCCC1N2CCC(CC2)N(C(=N)Nc3ccccc3)c4ccc(cc4)-c5cccc(c5)CN -MOL_01_023423,Cc1cn(cn1)-c2ccc(cc2CN)C(N)NC3CCCN(C3)Cc4ccc(CN)cc4 -MOL_01_023424,n1cccc(c12)ccc(c2C)C(NC(=N)CC(C)C)c3ccccc3 -MOL_01_023425,c1ccccc1NCC2CN(CCN2)Cc3ncn(c34)cccc4 -MOL_01_023426,CC(=O)C1CC(C(=O)N1)c2ccc(cc2)Cc3ccc(F)cc3 -MOL_01_023427,c1cccc(c12)ccc(c2)C(=N)N(CCCN)CC3CCN(CC3)Cc4ccccc4 -MOL_01_023428,CCC(C=1)=CC(C12)=NC(=NC2=O)c3ccoc3 -MOL_01_023429,C1CC1N(C)C(N)Cn2nc(N)nc2-c3cccc(N)c3 -MOL_01_023430,Cc1cc(ccn1)-c2ccc(cc2CN)NC(N)Nc3ccccc3CN -MOL_01_023431,Clc1ccc(cc1)NC(O)C2CCCN(C2)c3cnccn3 -MOL_01_023432,OC1=NC(O)/C(C1)=C/c2cc(F)ccc2OCc3ccc(C(F)(F)F)cc3 -MOL_01_023433,CN(C1)CCc(c12)ccc(c2)NC(=N)c3ccc(C(C)(C)C)cc3CN -MOL_01_023434,CCCc1nc(cc(N)c1CN)C(C)NCc2cnccc2Cl -MOL_01_023435,Cc1ccc(n12)nc(cc2C)CCC(C)c3ccccc3CN -MOL_01_023436,C1C(C2)CC(C3)CC1CC23CC(=N)Nc4cccc(c45)c(=N)n(cc5)CC6CCCN6 -MOL_01_023437,CCC(O)c1nnn(c1C(O)CC)-c2ccc(Cl)cc2 -MOL_01_023438,NC(=O)CN(CC1)CCC1(CN)c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_023439,CN1CCN(CC1)CCCNC(N)c(c2)cc(c23)c(N)oc4c3cccc4 -MOL_01_023440,CCCNc1nc(CN)c(NC)c(n1)Nc2ccccc2 -MOL_01_023441,NCc1ccnc(c1)N2CCN(CC2)C3CCCC3O -MOL_01_023442,Clc1cc(Cl)ccc1C(=C)Nc2cc(C)nn2CCCN -MOL_01_023443,CC(C)Nc1cc(ccc1C(N)N)-c2ccc(cc2)NCCNCC(N)c3ccccc3 -MOL_01_023444,CCc1ccccc1NC(=O)CCC(=O)C23CC4CC(C2)CC(Cl)(C4)C3 -MOL_01_023445,C=C(C)NCC1CC(=C)N(C1)c2ccc(c(F)c2)-c3ccc(cc3)CNCCN -MOL_01_023446,CCc1ccc(cc1)NNc(n2CC)nc(c23)cccc3 -MOL_01_023447,CCCCc1c(O)nc(nc1O)CCC(=O)Nc(c2)ccc(c23)CCC3 -MOL_01_023448,NCc1ccc(cc1CN)NC(=N)C2(C)CCN2Cc(c3)ccc(c34)cccc4 -MOL_01_023449,CCCc1ncccc1C(=O)NC(C)CCc2ccccc2 -MOL_01_023450,Nc1ccccc1CC(C2)C(=N)c(c23)c(ccc3)NCCc4ccccc4 -MOL_01_023451,NOc1ccccc1-n2cnnc2CCC(=O)NCC3CCCO3 -MOL_01_023452,CCN(CC)C(C=1)=NC(C12)=CC(=C2)C(=O)NC(C)(C)C(=O)CN -MOL_01_023453,CCCC(=O)c1nnc(nc1C)-c2cccc(c2)C(C)(C)C -MOL_01_023454,NCc1ccccc1-n2cnnc2CCC(=O)NCC3CCCC3 -MOL_01_023455,Nc1ccccc1NC(N)CCCCCCC(N)c2cccc(c2)-c3ccccc3 -MOL_01_023456,c1cc(C)ccc1-c2cn(cc2-c(cc3)ccc3C)Cc4ccc(CN)c(CN)c4CN -MOL_01_023457,Cc1nccn1Cc2ccc(cc2)/C=C/c(c3)ccc(c34)C(CC4)NC(C(C)C)C(N)N -MOL_01_023458,C=c1nc(N)nc(c1=2)N=C(N2)CCc3ccccc3 -MOL_01_023459,c1ccncc1C(=N)NCCC(c2ccccc2)c3ccccc3 -MOL_01_023460,NC1CN(CCN1)C(N)c2cc(C)n(c2C)Cc3ccccn3 -MOL_01_023461,ONC(=C1C)C(=O)C(C)(C)c(c12)cccc2 -MOL_01_023462,Cn1ncc(C(O)ON)c1NC(O)Nc2ccc(Cl)c(Cl)c2 -MOL_01_023463,NCc(c1)c(CN)cc(c12)C(=N)C(C2)CC3CCN(CC3)Cc4cccc(F)n4 -MOL_01_023464,C1CC1C(C(C)=N)CNC(=N)c(c2C)ncc(c23)cc(cc3)Cc4ccccc4 -MOL_01_023465,CCc1cn(CC(C)N)c(CC)c1Cc2ccc(CN)cc2 -MOL_01_023466,C=C(C)c1cccc(c1)CN2N=C(C)CC2C(N)C(=C)C -MOL_01_023467,CCCC(N)CCc(c1)ccc(c12)nc3c(c2Cl)cc(cc3)CN -MOL_01_023468,CNc1c(NC)cc(cc1NC)-c2cc(cnc2NC)-c3ccc(cc3)N4CCNCC4 -MOL_01_023469,Cc1cccc(c1)C(c2ccccc2)NC(=N)CNC(=N)c3ccc(F)cc3 -MOL_01_023470,CCCC(O)c1cc(nn1C)C(O)n2cc(Cl)cn2 -MOL_01_023471,NCC(=O)c1ccccc1NC(=O)CCc2ccccc2NO 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-MOL_01_023488,O=C1CC(CN1)C(C)Cc2nccc(c23)nccc3 -MOL_01_023489,COc1ccccc1C(O)c2cnc(nc2N)NCCCNC(O)Nc3ccccc3 -MOL_01_023490,CC(C)c1ccc(cc1)NC(=O)CCc2nncc(c23)cccc3 -MOL_01_023491,CCCC(=O)c1ncn(c12)C(C)(C)CC2=O -MOL_01_023492,CCC(=O)CNC(=O)CNC(=O)CCc1ccccc1 -MOL_01_023493,c1cccc(c12)C(=N)CC2CC(=N)Cc3ccccc3Cc4c(N)cccc4Cl -MOL_01_023494,FC(F)(F)Cc1ccc(cc1)NC(=C)c2cccc(n2)-c3cncnc3 -MOL_01_023495,CCC/C=C/c1cccc(c1)C2(N=C(N)N(C)C2N)c3ccc(CN(F)F)cc3 -MOL_01_023496,Cc1ncnc(c12)n(nn2)CCCn3nnc(c34)c(C)ncn4 -MOL_01_023497,c1ccnc(c12)c(cc(c2)N)NC(O)NC3CCN(C(N)N)CC3 -MOL_01_023498,CCc1cc(ccc1)N2CCN(C2=C)CCNCC(=C)N3CCCC3CN -MOL_01_023499,Clc1cc(ccc1)C(C)C(=N)Nc2ccc(cc2)C3CCCNC3 -MOL_01_023500,CN1CCN(CC1)Cc2cc(ccc2NC)-c3cccc(c3)NC(N)c4cccc(c4)CN -MOL_01_023501,C1CCCCN1CC(C)CN(Cc2ccc(CN)cc2)Cc(c(n3)CN)cc(c34)cccc4 -MOL_01_023502,c1ccccc1C(=N)CNC(=N)C(CCCN)NC(=N)C23CC4CC(C2)CC(C4)C3 -MOL_01_023503,CN1CCN(CC1)c2ccc(cn2)NC(O)c3ccccc3N -MOL_01_023504,CC(O)NCn1cc(O)c(c1)-c2cccc(c2)C(C)(C)C -MOL_01_023505,CCN(CC)C(C)c1cccnc1Cc2ccc(cc2)Nc3ccccn3 -MOL_01_023506,c1ccccc1CCC(C)C(C)Nc2ccc(CN)c(c2)CN -MOL_01_023507,c1ccccc1CNC(=N)C2=CC(c3ccc(C(F)(F)F)cc3)CC(N2)NCCCCN -MOL_01_023508,NCc1ccc(cc1CN)CCN(C)CCCC2(CN)CCc(c23)c(CN)c(cc3)CN -MOL_01_023509,c1cccc(c12)C(=N)N(C2=N)CCC(=N)N3CCC(C3)c4ccccc4 -MOL_01_023510,Nc1cccc(c12)C(c3c(C2N)c(N)ccc3)C(N)c4ccccc4 -MOL_01_023511,Clc1cc(cc(Cl)c1)C(=N)NCC2(CN)CCN(CC2)CCc3ccccc3 -MOL_01_023512,CN1CCN(CC1)C(N)c2cc(-c3ccc(F)cc3F)ccc2CC(N)c4ccccc4 -MOL_01_023513,c1ccccc1CN2CCN(CC2)CC(N)CNc3ccccc3C(N)CCc4ccccc4 -MOL_01_023514,Cc1ccc(cc1)C(N)Nc2c(C(N)(C(F)(F)F)C(F)(F)F)ccc(c23)cccc3 -MOL_01_023515,Cc1cc(Cl)ccc1C(=O)NCCNc2ccc(cn2)C(C)(C)C -MOL_01_023516,CC1=CC=CC(N12)=NC(=CC2=C)Cc3ccc(CN)c(c3)CN -MOL_01_023517,c1ccncc1CNC(NO)c2cccnc2Oc(c3)ccc(c34)oc5c4cccc5 -MOL_01_023518,Fc(c1)ccc(c12)CN(C2)C(O)Nc3ccc(cc3)C(O)N(C4)CC45CCCOC5 -MOL_01_023519,CN(C)c1ncc(c(n1)C(C)(C)C)C(O)Nc2cc(Cl)cc(Cl)c2 -MOL_01_023520,Cc1ccc(cc1C)NC(O)c2ccc(c(c2)NO)-n3cncn3 -MOL_01_023521,CC(=O)Cc1ccc(cc1CC(=O)C)CC(N)C(=O)NC(C)C -MOL_01_023522,Nc1nc(ccc1)C(=N)N2CCCC(C2)N3CCN(CC3)c4ccccc4 -MOL_01_023523,CCC(=O)c1ccccc1NC(=O)NCc(c2)ccc(c23)CCC3 -MOL_01_023524,CCc1cc(O)nc(n1)CCc2nc(no2)-c3ccccc3 -MOL_01_023525,Clc1ccc(cc1)C(N)c2cc(C)c(C)c(c2)C(N)Nc3ccc(NN)cc3C(F)(F)F -MOL_01_023526,COc1ccccc1-c2nnc(o2)CCc3ccccn3 -MOL_01_023527,C1CCCCN1C(=N)C2CCN(CC2)CC(CC3)=Cc(c34)c(Cl)ccc4CN -MOL_01_023528,CCc1ccccc1NC(=N)CCC(=N)C2CC(=N)N(C2)c3ccc(F)cc3 -MOL_01_023529,CCCNc1ccccc1C(=O)CCC(=O)N2CCN(CC2)C(=O)CCC -MOL_01_023530,Nc(n1)cc(n12)[nH]c(c2)Nc3cccc(c34)cccc4 -MOL_01_023531,c1cncn1CC(C(=N)CC(C)C)NC(=N)c2ccc(cc2)-c3ccc(F)cc3 -MOL_01_023532,NCc1ccccc1CCC(N)NCC2(CCCCC2)N3CCCCC3 -MOL_01_023533,c1ccccc1-c2oc(C)c(n2)CCCC(=O)NCc3ccco3 -MOL_01_023534,c1ccccc1Cc2nnc(n2C)CCC(=O)Nc(c3)ccc(c34)OCCO4 -MOL_01_023535,c1cccc(c12)nc(C)c(n2)CCC(=O)NC(=O)NC3CC3 -MOL_01_023536,c1ccccc1C(C(N)C2)CNC23CCC(CC3)NCc4ccccc4 -MOL_01_023537,NCc1ccc(cc1CN)CC(NC(=C)C)C(=C)NC2CCN(CC2)C(=C)c3ccc(NF)cc3 -MOL_01_023538,NCc1ccccc1CN(CCC2)CC23Cc4c(cccc4)CNC3N -MOL_01_023539,CCCNCc1ccc(cc1)CNC(=O)C(C=C2)=C(C2=3)C(=O)N=CN3 -MOL_01_023540,Cc1ccccc1CCC(N)Nc2ccc(cc2)CCc(n3)cc(N)n(c34)ccc4 -MOL_01_023541,Cc1cccc(n1)NC(=O)C(C2)CCc(c23)cccc3 -MOL_01_023542,c1ccccc1C(C(N)CC)n(c2N)cc(c23)cccc3 -MOL_01_023543,NCc1ccc(cn1)-c(c2)ccc(n23)nnc3 -MOL_01_023544,c1nccnc1C(O)NCC(O)N(C2)CCc(c23)cccc3 -MOL_01_023545,Cc1ccccc1C2C(C(N)CCC3)=C3CC(=C24)CCCC4N -MOL_01_023546,c1cccc(c12)C(N)C(C2N)c3ccc(NC)c(c3)NC4CCCC4 -MOL_01_023547,Cc1c(NN)cccc1C(O)CCC(O)Nc2ccccc2CC(F)F -MOL_01_023548,CCCc1ncccc1C(=O)CCC(=O)Nc2ccc(C(C)C)cc2 -MOL_01_023549,O=C(O)CN1CCC(CC1)CN2CCC(CC2)Cc3ccc(CO)c(Cl)c3 -MOL_01_023550,CCCC(=O)C(N=1)=NC(=O)C(C12)=C(C)C(=C2)N -MOL_01_023551,CN1CCN(CC1)c2cc(ccn2)CNCc3cccc(c34)CNC4 -MOL_01_023552,C1CCc(n12)nnc2NC(=C)CCc3cccnc3 -MOL_01_023553,Cc1ccc(cc1)-n2c(C)nnc2CCC(=O)Nc3cccc(c3)CN -MOL_01_023554,Cc(n1)cc(n12)NC(C2)Nc3cc(Cl)ccc3Cl -MOL_01_023555,NNc1ccc(cc1NN)CCN(C)CCCN2c(cccc3)c3Nc(c24)cccc4 -MOL_01_023556,NC(N)CNc1cccc(c1)CCN(c2ccc(F)cc2)C(N)c3ccccc3 -MOL_01_023557,c1cccc(c12)nc(cc2C)CCC(=O)NCCC3=CCCCC3 -MOL_01_023558,c1ccccc1C(C2(C)C)C2NC(=N)N3CCC(CC3)Nc4ccc(cc4)CCC(=N)N -MOL_01_023559,c1cccc(c12)C(N)C(NC3CCCC3)=C(C2N)N4CCC(C)CC4 -MOL_01_023560,CNc1cccc(c1)C(CC(=O)C)C(NC)C(=O)c2ccccc2 -MOL_01_023561,c1ccccc1NC(C)c(cc(C)c2)c(c23)cc(cc3N)-c4ccncc4 -MOL_01_023562,CC(C)CC(C(=N)N)C(=N)NCCC(c1ccccc1)c2ccccc2 -MOL_01_023563,NCc1cccc(c1)-c2ccc(cc2)CC(N)NC3CCN(CC3)Cc(c4)ccc(c45)CCC5 -MOL_01_023564,CC(=N)Nc1ccc(c(c1)CN)CCCCN2CCN(CC2)c3ccccc3F -MOL_01_023565,CCCCCn1nc(C)cc1C(O)N2CCCCC(C2)N(C)C -MOL_01_023566,C1COCCN1Cc2nnc(n2C)CCC(O)Nc3cccc(C(F)(F)F)c3 -MOL_01_023567,C1NCc(c12)ccc(c2)NC(=O)CCC(=O)c3c(F)cccc3F -MOL_01_023568,CC(=N)c1ccccc1C(=N)N2CCCC(C2)CNC(=N)c3ccccc3Cl -MOL_01_023569,CC(C)(C)c1ccccc1NC(O)C2CCN(CC2)C(O)Cc3ccccc3 -MOL_01_023570,C=CC1(CC)C=C(CC1C)n2ccc(N)nc2=O -MOL_01_023571,c1cncn1CCCC(N)C(C)c2ccc(c(F)c2)-c3ccccc3 -MOL_01_023572,n1cccnc1CN(CCC2)C(N)c(c23)cc(cc3)/C=C/c4ccccc4 -MOL_01_023573,Fc(c1)ccc(c12)ncc(c2C)C(N)NCCc3ccccc3 -MOL_01_023574,c1cccc(n12)nc(N)c2C(O)NCc3cccnc3 -MOL_01_023575,CCCCC(N)Nc1ccc(cc1CN)NC(N)c(c2)ccc(c23)CCC3 -MOL_01_023576,CC(=O)C1(C)CCN1C(=O)c2ccc(CN)c(c2)C(C)(C)C -MOL_01_023577,CCc1ccc(cc1)NC(=N)C(=N)NCC(c2cccnc2)N3CCCCC3 -MOL_01_023578,CNc(c1N)ccc(c12)c(cnc2)Cc3c(cccc4)c4cc(c35)cccc5 -MOL_01_023579,c1ccccc1C(N)C(C)(Cn2ccnc2)c3ccc(Cl)cc3Cl -MOL_01_023580,n1cccc(c12)ccc(c2C)C(c3ccc(CN)cc3)NC(=N)c4ccccc4 -MOL_01_023581,NCc1c(Cl)c(ccc1)C(=C)NCC(c2ccc(Cl)cc2)N3CCCCC3 -MOL_01_023582,O=C1C/C(C(=O)N1)=C\c2cc(F)ccc2OCc3ccc(C(F)(F)F)cc3 -MOL_01_023583,Cc1cc(C(C)N)nn1Cc2cc(F)ccc2CCc3ccc(F)cc3F -MOL_01_023584,CC(O)N(C1)CCCc(c12)c(CN)cc(c2)-c3cccc(F)c3 -MOL_01_023585,C1=CC=C(C1=2)C=C(N2)C(=O)NCCc(c3)ccc(c34)OCO4 -MOL_01_023586,Cc1cccc(c1)C2C=C(c3ccc(N)cc3)N=C(N2)CCCCCN -MOL_01_023587,C1CC1N2CCN(CCC2)C(=N)c3cc(CNC)c(cc3)Cc4ccc(Cl)cc4F -MOL_01_023588,NCc1cccc(CN)c1CCC(C)CN2CCN(CC2)c3ccccc3F -MOL_01_023589,Cc1cccc(C)c1OCC(=O)NCc2nnc(n2C)CCC(=O)NC3CCCCC3 -MOL_01_023590,CCCNc1ccc(cc1)CC(C2N)CCc(c23)cc(cc3)NC -MOL_01_023591,CC(=O)c1ccc(cc1)NNc2ccc(C)c(c23)nccc3 -MOL_01_023592,Cn1ccnc1CN2CCCC(C2)C(=N)Nc3ccc(cc3)-c4cccc(c4)CN -MOL_01_023593,CNCc1cccc(c1)-c2cc(CN)ccc2CNC(c3ccc(CN)cc3)c4cncn4C -MOL_01_023594,C1CCCCN1c2ccc(cc2NN)C(=O)N3CCN(CC3)c4ccccc4 -MOL_01_023595,CNc1ccc(cc1)C(N2)CC(N)c(c23)c(NC)cc(c3)NC -MOL_01_023596,CCCCCn1cnc(c1)-c2cnc(N)nc2CN -MOL_01_023597,Nc1ncc(cc1Cl)NC(O)c2cc(ccc2C)NC(O)c3cccc(c3)C(C)(C)CN -MOL_01_023598,CCCc1ccc(-n2cnnn2)cc1C(C)(C)NCc3ccccc3 -MOL_01_023599,CC1(C)CC(CC(C)(C)N1)NC(=N)c2cccc(c2)CC(=N)Nc3ccc(Cl)c(Cl)c3 -MOL_01_023600,Fc1cc(F)ccc1CC2(NO)CCCN(C2)Cc3ccncc3 -MOL_01_023601,c1ccccc1CCNC(=N)C2CCCN2C(=N)Nc3cccc(Cl)c3 -MOL_01_023602,NCc1cc(ccc1)C(C)NC(N)c(c2)ccc(c23)c4c(CC3)cncc4 -MOL_01_023603,CC(C)N1CCC(CC1)CNC(=N)C(c2ccccc2N)NC(=N)c3ccc(CN)cc3 -MOL_01_023604,C1CCCC12CC(=N)N(C(C2)=N)CCN(C3)CCc(c34)cccc4 -MOL_01_023605,c1cccc(c12)c(cc(n2)N)C(N)NCC(N)NCCc3ccccc3 -MOL_01_023606,CCCCc1ccc(cn1)N2CC(C2)c3ccc(cc3)CC(C)NC(C)=N -MOL_01_023607,COc1cc(ccn1)C2CCC(CC2)N3CC(C3)NC(O)CNC(O)c4cccc(c4)C(C)(C)C -MOL_01_023608,CC(=N)c1ccccc1CNC(=N)C2CCCN2C(=N)C(N)C3CCCCC3 -MOL_01_023609,Cc1ccc(cc1)-c2nc(c(o2)C)CC(O)CC(=O)NCCN3CCCCCC3 -MOL_01_023610,CC(=O)C1C(C)=NC(=O)N=C1c2ccccc2O -MOL_01_023611,Cc1cc(C)cc(c1)C(=O)NCC(=O)CCC(=O)N(C)c2ccccc2 -MOL_01_023612,CCCC(=C)C1=NN(C(=C)C(CN)C1C)c2ccc(Cl)cc2 -MOL_01_023613,COc1ccc(cc1)NC(=O)CC2CC(NC2=O)NCc3ccccc3OC -MOL_01_023614,Cc1cccnc1NC(=O)c2cc(CC)c(cc2)CCC(=O)N3CCCCC3 -MOL_01_023615,Cc1ccc(c(C)c1)CCCNC(=O)C2CCCN(C2)C(=O)N -MOL_01_023616,CC(=O)NC(C)c1ccc(cc1)/C=C/c2ccc(nc2)OC(C)C -MOL_01_023617,CC(C)c1cccc(C(C)C)c1OC(O)CC(O)Nc2c(F)cc(F)cc2F -MOL_01_023618,c1cccc(C(C2)C(C)=N)c1C23CCN(CC3)C(=N)NC(C45)C6CC(C4)CC(C5)C6 -MOL_01_023619,Cc1cccnc1CCNC(=C)c2ccc(cc2)CC3CCN(CC3)Cc4ccccn4 -MOL_01_023620,c1cccc(c12)cc(N)n2CCC(N)NCc(c3)ccc(c34)CNC4 -MOL_01_023621,NNc1cccc(c1)C2=CCN(C(O)N2)c3ccccc3N -MOL_01_023622,c1ccccc1C(C)(C)NC2=C(O)C(O)=C2Nc3ccncc3 -MOL_01_023623,Cc1cccc(c1)-c2nc(N)nc(C)c2Cl -MOL_01_023624,Cc1nnnc(c12)C(CN(C2)C)c3nnnnn3 -MOL_01_023625,NCc1cccc(c1)Cc2nnc(O)n2-c3ccccc3CN -MOL_01_023626,c1ccccc1C(CN)(c2ccccc2)C(C(C)=N)Cc3nccc(n3)C -MOL_01_023627,Cc1ccc(cc1)Cc2ccc(cn2)C(=O)NC3CCCC3=O -MOL_01_023628,c1cccc(c12)C(=N)N(C2=N)C(C(=N)NC(C)C)Cc3ccccc3 -MOL_01_023629,c1ccccc1CC2C(=C)N(Cc3ccc(F)cc3)C2c4cc(CN)c(CN)c(c4)CN -MOL_01_023630,Cc(n1)ccc(c12)c(C)c(cn2)CC(N)NC3CCCCC3 -MOL_01_023631,CNc1ccccc1N2CCN(CC2)CCCCN(C3N)Cc(c34)ccc5c4cccc5 -MOL_01_023632,Clc1cccc(Cl)c1CC(=N)CCC(=N)N(C2)CCc(c23)cccc3 -MOL_01_023633,Clc1ccccc1C(NC(N)N)CC(N)NCCCc2ccccc2 -MOL_01_023634,C1CCC(N)NC1(C)c2cc(c(F)cc2F)CNCC3CC3 -MOL_01_023635,Cc1cc(O)cc(C)c1/C=C2\CCC=NC2c3cccnc3 -MOL_01_023636,CCOc1cc(C)ccc1NC(O)NCC(N(C)C)c2cnn(C)c2 -MOL_01_023637,CC(C)NC(N)Nc(c1)ccc(c12)Cc3c(C(N)N2C)cccc3 -MOL_01_023638,CC(C)Cc1ccc(cc1)C(c2ccc(F)cc2)CC(N)N(C)CCCN -MOL_01_023639,c1ccccc1CCNC(=N)C2CCCN2C(=N)Nc3ccc(Cl)cc3 -MOL_01_023640,c1nccnc1C(=C)Nc2cncc(n2)Cc3cncc(C)c3 -MOL_01_023641,CC(=O)c1ccc(cc1)NNc2c(C)ccc(c23)nccc3 -MOL_01_023642,C1CNCCN1C(c(cc2)ccc2F)CNC(N)c3cc(NC)c(cc3)NCc4ccccc4F -MOL_01_023643,CCC(O)c1cnc(cc1O)C(C)c2ccccc2 -MOL_01_023644,NCc1ccc(cc1CN)-c2ccc(cc2CC)C(N)NC(C)CCCc3cccnc3 -MOL_01_023645,Cc1nnc(n12)CC(C)C(=N2)c3ccc(cc3)CN(C)C -MOL_01_023646,Cc1nc(N)nc(c12)nc(cn2)C(C)C -MOL_01_023647,Cc1nnc(n1N)CCC(=O)NC(=O)Nc(c2)ccc(c23)OCCO3 -MOL_01_023648,CN1CCN(CC1)c2cc(ccc2CN)Cc3cccnc3 -MOL_01_023649,Cc(c1)ccc(c12)nc(nc2C)CCc3ccc(N(O)O)cc3 -MOL_01_023650,CNc1ccc(cc1NC)C(C)C(=N)c2ccc(cc2NC)NCc3ccc(CN)cc3 -MOL_01_023651,C1CNCCN1C(=O)CC(O)C2c(cccc3)c3c(c24)cccc4 -MOL_01_023652,NCc(c1)c(CN)cc(c12)nc(nc2C)-c3ccccc3 -MOL_01_023653,CCCCc(c(c1)CN)cc(c12)c(Cl)ncn2 -MOL_01_023654,CCCCCN(C1)CCc(c12)c3c(cc(NC)c(c3)NC)c4c2cc(NC)c(c4)NC -MOL_01_023655,Cc(n1)cc(C)c(c12)nc(=O)c3c(n2)cccc3 -MOL_01_023656,NCCC(C)(C)CNC(O)c1ccc(cc1)NC(O)N(C2)Cc(c23)cccn3 -MOL_01_023657,Nc1cc(ccc1)NC(N)c2ccc(C)c(c2)/C=C/c(c3)cnc(n34)ccn4 -MOL_01_023658,Cc1ccc(c(Cl)c1)CC2CCCN(C2O)c3cnn(C)c3 -MOL_01_023659,c1cccc(c12)nc(nc2C)-c3cccc(CN)c3CN -MOL_01_023660,c1cccc(c12)CCCC2NC(=N)CNC(=N)CC(c3ccccc3)NC(=N)c4ccccc4 -MOL_01_023661,Cc1ccc(c(C)c1C)OC(=O)C2=C(C(O)O)CCC2 -MOL_01_023662,C=C1NCC(C12)c3c(CC2)cc(CN)c(c3)CN -MOL_01_023663,CC(C)CCc1cc(C)nc(c1)-c2ccc(CN)c(c2)CN -MOL_01_023664,COc1ccccc1NC(O)C2(CCCC2)c3ccccc3 -MOL_01_023665,C1CC1CN(CC2)CC23N(C(C)=N)CC(=N)N(C3)c4ccccc4 -MOL_01_023666,Clc1cc(Cl)ccc1C(N)C(O)(Cn2cncn2)Cc3ccccc3 -MOL_01_023667,c1cccc(c12)C(=N)N(C2=N)CC(=N)Nc3ccccc3N4CCCCC4 -MOL_01_023668,c1ccncc1CC2(Cc3cccnc3)C(N)c4cccc(c4c25)ccc5 -MOL_01_023669,NCc1ccc(Cl)cc1NC(=O)NCc(c2)ccc(c23)CCC3 -MOL_01_023670,N1CCN=C1CCC(=O)NC(c2ccccc2)c3ccccc3 -MOL_01_023671,Cc1c(C(N)O)c(nn1C)OCc2cccc(C(F)(F)F)c2 -MOL_01_023672,Nc(c1)ccc(c12)N(CCNC2O)c3ccc(NO)cc3 -MOL_01_023673,c1cccc(c12)nc(nc2CCN)-c3ccncc3 -MOL_01_023674,Cc1c(N)cccc1C(N)n2nnc(c23)cccc3 -MOL_01_023675,C1CNCCN1CCN(C(N)c2ccccc2)C3(CCCCC3)C(N)Nc4ccccc4 -MOL_01_023676,CC(C)(C)NC(=N)CN(C)CC(=N)c1cc(C)n(c1C)Cc2ccccc2 -MOL_01_023677,NC(N)Cc(cc1)cc(c12)Nc3c(N=C2N)cccc3 -MOL_01_023678,CCC(O)NCc1cc(C(N)O)c(c(F)c1F)Nc2ccc(N)cc2F -MOL_01_023679,c1ccccc1CCC2CCC(=N)N(CC2)C(CNNN)Cc3ccccc3 -MOL_01_023680,c1cccc(c12)cc(CN)c(c2)C(N)NCC3CCN(CC3)Cc4ccccc4 -MOL_01_023681,CNc1cc(NC)c(c(c1)NC)CCC(N)(N)Cc2cnc(cn2)NC -MOL_01_023682,Cc1ccc(cc1)C(C(=C(N)C2)C(N)CC2(C)C)C(=C(N)C3)C(N)CC3(C)C -MOL_01_023683,NC1CCC(CC1)CNC(=N)C2CCCN2C(=N)CCc3ccccc3CN -MOL_01_023684,NCc1ccc(cc1)C(=N)N(CC2)CCC23CCCN(C3)c4ccccc4 -MOL_01_023685,Cc1ccc(cc1)CNC(=O)CCC(=O)c2cccnc2Cl -MOL_01_023686,Cc1ccc(C)c(c1)-n2nnnc2CCN3CCCCC3=O -MOL_01_023687,n1cccc(c12)ccc(c2C)C(NC(=N)C(C)C)c3ccccc3 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-MOL_01_023740,OC(O)/C(C)=C/C1=C(C)C(O)C(=C(C)C1O)Cc2cccnc2 -MOL_01_023741,OC(O)COc(c1)ccc(c12)C(O)C(\O2)=C/c3ccco3 -MOL_01_023742,NCc1ccccc1C(=O)Nc2nnc(n23)C=CC3 -MOL_01_023743,c1ccccc1CC(C(C)=N)NC(=N)C2CCC(CC2)CNC(=N)C(N)C(C)C -MOL_01_023744,c1cccc(c12)ccc(c2)C(N)NCCN(CC3)CCC34C(N)NCN4Cc5ccccc5 -MOL_01_023745,Cc(c1)ccc(c12)C(=C)C(C)(CC2)c3ccc(CN)cc3CN -MOL_01_023746,CCCCn(c1O)nc(c12)c3c(nc2)cccc3 -MOL_01_023747,c1ccccc1CN(C)Cc2ccc(cc2)CNc(c3)ccc(c34)cc(c(n4)N)CN -MOL_01_023748,Cc(c1)cc(n12)nc(cc2O)CCC(O)CCc3ccc(F)cc3 -MOL_01_023749,Cc1ccc(cc1)Nc2nc(N)c(CN)c(CCN)c2CN -MOL_01_023750,Cc1ccc(c(C)c1)-n2ncc(c2N)C(N)NC3CCCC3 -MOL_01_023751,CCCC(=N)N(CCC)CC(=N)Nc1c(C)cccc1CC -MOL_01_023752,Cc1cc(CN)ccc1NC(=O)CNC(=O)CCc2ccc(F)cc2 -MOL_01_023753,CC(C)(C)NC(N)N1CCCN(CC1)CCc2cccc(c23)NC(C3)N -MOL_01_023754,Cc1ccc(cc1)CCC(=C)N(c2ccccn2)Cc3cc(CN)c(CN)c(c3)CN -MOL_01_023755,C1CCCCN1C(=N)C2(C)CCN2C(=N)Cc3ccc(cc3)-c4ccccc4 -MOL_01_023756,CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc(n23)CCC3 -MOL_01_023757,c1cccc(c12)c(nnc2C)C(=O)CCC(=O)N(CC34C)C(C3)CC(C)(C)C4 -MOL_01_023758,c1ccccc1CC2(C(=N)NCC)CCN(CC2)Cc(c3)cc(NC)c(c34)NCN4 -MOL_01_023759,Clc1ccc(cc1)CCNC(=N)C2CCCN2C(=N)Nc3ccccc3 -MOL_01_023760,C1CCCCN1CC(N)CNc2ccc(NCc3ccccc3)cc2C(N)CCc4ccccc4 -MOL_01_023761,Nc1cccnc1CN(C)c2nc(N)cc(n2)C3CCC3 -MOL_01_023762,C1NCc(c12)ccc(c2)NC(=N)NCCCCc3cccc(c3)CN4CCCCC4 -MOL_01_023763,C1CC1N2CC(CC2=O)C(=O)NCCCc(c3)ccc(c34)CCC4 -MOL_01_023764,CCCC(O)Cn1ccc(c12)cc(cc2)NC(O)N3CCCCC3 -MOL_01_023765,CC(C)(C)c1ccc(N2CCCC2)c(c1)NC(O)c3ccncc3 -MOL_01_023766,NCc1cc(ccc1)C(C)NC(=N)c2ccc(cc2CN)-c3ccncc3F -MOL_01_023767,c1ccncc1C(=N)N2CCC(CCC3CC3)C2Cc4cccnc4 -MOL_01_023768,c1cnccc1CNC(=O)N2CCC=CC2c3ccc(Cl)cc3 -MOL_01_023769,CC(N)c1cccc(c1)-n2cc(nn2)C3(N)CCCCC3 -MOL_01_023770,CC(=O)c([n+]([O-])c1)cc(c12)ccc(c2)CCn3nnc(c34)cccc4 -MOL_01_023771,CCCN(CC1C)Cc(c12)c3c(cc(CN)c(c3)CN)c4c2cc(CN)c(CN)c4CN -MOL_01_023772,CCCC(=O)c1nccnc1C(=O)Nc2cccc(c2)C(C)(C)C -MOL_01_023773,NCc(c1)ccc(c12)cc(N)cc2-n3cc(nn3)CCc4ccc(F)cc4 -MOL_01_023774,ONc1c(C)c(C)cc(c1)-c2ccnc(n2)-c3ccccc3 -MOL_01_023775,CN1CCN(CC1)C(O)c2cn(cn2)-c3cccc(n3)N -MOL_01_023776,Cc1cccc(c1)C2(N)CCN(CC2N)CC3CC3 -MOL_01_023777,NCc1ccccc1NC(=C)CN(C23)C(CCC2)CC(C3)NC(=C)c4cc(CN)c(CN)c(c4)CN -MOL_01_023778,Cc1ccc(cc1)-c2ccc(cc2)C(=N)NC(C(=N)CC(C)C)Cn3ccnc3 -MOL_01_023779,CN1CCCN(CC1)Cc2cc(ccc2CN)-c3ccc(cc3)NC(N)c4cccc(F)c4 -MOL_01_023780,CC(C)(C)N1CC(CC1=C)C(=C)NCc(n2)cn(c23)cccn3 -MOL_01_023781,CNc1cc(ccc1C)-c(c2)cc(N)c(c23)cc(C)c(C)c3C(C)N -MOL_01_023782,NCc(c1)ccc(c12)c(=N)n(cc2)Cc3ccc(c(c3)CN)CCc4ccc(F)cc4 -MOL_01_023783,c1ccccc1CN2C(=N)C(CN)=C(C)C2Cc3ccccc3 -MOL_01_023784,CCCCCCCc1c(N)cc(CCC(C)C)c(N)c1CN -MOL_01_023785,Cc1cccc(c1)CCCC(=N)NCC(=N)Nc2cccc(C)c2C -MOL_01_023786,C1CCCCN1C(=N)NC(CC(C)(C)C)C(=N)NC(CN)CCc2ccccc2 -MOL_01_023787,C=C(C)CCc1nc(nc(C)c1CN)-c2cccc(c23)cccc3 -MOL_01_023788,CCCNCC(O)Nc1ncc(c(n1)N)Cc2cc(N)c(CC)cc2C(C)C -MOL_01_023789,Clc1ccc(cc1)-c2c(ncnc2N)/C=C/c3ccc(C(N)N)cc3 -MOL_01_023790,C1CCCCN1C(N)c2nc(N)n(n2)-c3ccccc3Cl -MOL_01_023791,CC(C)(C)c1nnc(n12)ccc(n2)Cc3cccc(c3)CN -MOL_01_023792,Cc1cc(no1)NC(O)CCCC(O)OCc2nnc(o2)-c3ccccc3 -MOL_01_023793,NCc1cc(ccc1)C(=C)Nc2cncc(n2)Cc3cccnc3 -MOL_01_023794,Cc(c1)ccc(c12)c(N)cc(n2)Cc3ccncc3 -MOL_01_023795,Cc1nc(N)nc(c12)ncn2CCCl -MOL_01_023796,CCc1ccccc1CC(=O)Nc2cc(NC)ccc2CC -MOL_01_023797,CC(C)(C)c1ccc(cc1)CCCCC(C2)CCn(c23)cc(n3)NN -MOL_01_023798,CC(N)CNC(N)c(c(N)cc1C)c(c12)c(ccc2)-c3ccc(C(F)(F)F)cc3 -MOL_01_023799,n1ncn(c12)c(cc(n2)C)CCC(=O)c3cccc(c3)C(C)(C)C -MOL_01_023800,Cc1cc(CN)cc(C)c1NC2CCN(CC2)CCCN -MOL_01_023801,CC(C1)=CCC(C12)C(=N)N(C2=N)c3ccc(cc3)C(=N)Nc4cccc(c4)CN -MOL_01_023802,CC(=N)c1cccc(c1)NC(=N)N2CCCC2C(=N)NCc3ccc(F)cc3 -MOL_01_023803,c1ccccc1C(C)N(C2N)Cc(c23)ccc(N)c3N -MOL_01_023804,c1cccc(c12)NC(N)N(C2)CC3CCC(CC3)C(N)N4CCN(CC4)c5ccccc5 -MOL_01_023805,CCNc1cccc(NCC)c1C(N)CCc2c(NC)cc(NC)cc2NC -MOL_01_023806,Fc1ccc(cc1O)C(O)c2cccc(n2)-c3ccc(F)cc3 -MOL_01_023807,Cc1cccc(c1)-c(c2)cc3C(N)N(CCN(C)C)C(N)c(c3c24)ccc4 -MOL_01_023808,ClCc(n1)nc(n12)cc3c(c2N)cccc3 -MOL_01_023809,CC(C)CCNC(=O)c1ccc(cc1)NC(=O)C2=CC=CCC2 -MOL_01_023810,NCc1cc(ccc1)C(CC(=N)N2)=Nc(c23)ccc(c3)/C=C/c4ccc(F)cc4 -MOL_01_023811,n1cccc(c12)ccc(c2C)C(c3ccccc3)Nc4ccc(NN)cc4 -MOL_01_023812,c1ccccc1C(C)(CC(N)NC)NC(=N)c2ccc(C)cc2 -MOL_01_023813,CCCCCNc1nc(-c2ccccn2)ncc1CN -MOL_01_023814,O=C(N=1)C(=O)N=c(c12)ccc(c2)CCN3CCN(CC3)c4cccc(C(F)(F)F)c4 -MOL_01_023815,CCC(C)Cc1cc(NC(=O)C)c(N)cc1C(=O)CN -MOL_01_023816,CNc1ccc(cc1)-c2ccc(cc2)C(N)NC(CCN(C)C)c3ccc(C)cc3 -MOL_01_023817,c1cccc(c12)cccc2NC(=N)CN3CCC(CC3)NC(=N)Cc4ccccc4 -MOL_01_023818,N=C(N)c1ccc(cc1)C2CN(Cc3ccccc3)CCc(c24)c(Cl)c(CN)c(c4)CN -MOL_01_023819,C=C1N(CC)C(=O)C(=O)N1c2ccc(F)cc2 -MOL_01_023820,CC(N)N1CCC(CC1)Cc2cc(ccc2CN)C(N)N3CCCCCC3 -MOL_01_023821,CN(C)CCN(C1N)C(N)c2cccc(c2c13)cc(c3)-c4ccc(F)c(F)c4 -MOL_01_023822,CC1(C)CC(=N)C(C(C1)=N)C(C(C(=N)C2)=C(C)CC2(C)C)c3cccc(C)c3 -MOL_01_023823,CCCCCCCc1ccc(cc1)CN(c2ccc(N)c(c2)C(N)N)C(N)c3cccnc3 -MOL_01_023824,CNC(=N)c1cccc(c12)CCC(C2)NCCCCN(C(=N)C3)C(=N)CC34CCCC4 -MOL_01_023825,NCc1c(CN)c(CN)cc(c12)cc(cc2C)-c3ccc(cc3)CCCCN4CCN(C)CC4 -MOL_01_023826,Cc1c(C)c(C)c(nc1C)NC(O)c2ccc(CN)cc2 -MOL_01_023827,CCCCCc1ccc(cc1NO)C2=NCC(N23)=NCC3 -MOL_01_023828,C=C(C)c1nnn(c1N)-c2ccc(N)c(N)c2 -MOL_01_023829,NCCCC(C(=N)N)NC(=N)c1ccc(CNc2ccccc2)cc1-c3ccccc3 -MOL_01_023830,COc1cccc(c1OC)C(C=N2)OC2(C)OC -MOL_01_023831,CCCNc(c(c1)NC)cc(c12)ccnc2Cc3ccc(NC)c(C)c3 -MOL_01_023832,NCCc1ccc(cc1)N(CC2CCCN2)C(=C)C(CC)Cc3ccccc3 -MOL_01_023833,c1cnccc1N2CCC(CC2)CCC(=C)Nc3ccccc3NC(=C)c4ccccc4CN -MOL_01_023834,NCc1ccc(F)cc1C2CC2CNC3(CC3)c4ccccc4CN -MOL_01_023835,Cc1cccc(C)c1C2=C(N)CC(C2N)Cc3cccc(c34)CCCC4 -MOL_01_023836,NCc1ccc(Cl)c(c12)ccc(n2)Nc3ccccn3 -MOL_01_023837,c1ccc(NO)c(c12)c3c(C2C)cccc3N -MOL_01_023838,CCc1c(CC)cc(cc1CC)C(=O)CCCNC(=O)c2ccncc2 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-MOL_01_023856,Clc1ccc(cc1)C(=N)C2CCCN(C2)Cc3cnn(CN)c3N -MOL_01_023857,CCc1ccc(c(c1)C(N)O)NC(O)CCc2ccc(C)cc2 -MOL_01_023858,NC(N)C1(CC1)N(CC2)CCC2(CN)c3ccc(CN)c(c3)CC4CCCC4 -MOL_01_023859,CC(=O)c1ccnc(c1)-n2nc(C)c(C)c2C -MOL_01_023860,Nc(c1)ccc(c12)C(N)CC(N2)c3ccc(N)c(N)c3 -MOL_01_023861,c1ccccc1C(N)/C=C/2c(cccc3Cl)c3C(N)c(c24)cccc4Cl -MOL_01_023862,Cc1cc(C)cc(c1)CCNC(=O)Nc2ccc(C)c(c2)C(=O)N -MOL_01_023863,c1cccc(c12)nc(C)c(c2)CN(C(C)C)C(O)c3cccc(c3)NN -MOL_01_023864,c1ccccc1-c(cc2N)cc(c23)cc(cc3)CCC(N)Nc4ccc(F)cc4 -MOL_01_023865,CCCN1C(=N)CNc(c12)cc(cc2)CN3CCN(CC3)c4ccc(F)cc4 -MOL_01_023866,Nc1c(Cl)ccc(c12)NC(O)C2O -MOL_01_023867,N1CCc(c12)cc(N)c(c2)CCCNc3ccccc3 -MOL_01_023868,c1ccccc1CC(NC(=C)C)C(=C)NC2CCN(CC2)C(=C)c3cnccn3 -MOL_01_023869,CNC(=O)NCCc1cccc(c12)ccc(n2)CN -MOL_01_023870,NCc1ccc(cc1)C(C)N(CC2)C(=O)CC23CCC(=O)CC3 -MOL_01_023871,NC(N)c1cccc(c1C)NCCCCNc2ccc(C(C)N)c(N)c2C -MOL_01_023872,Cc(c1)ccc(c12)nc(nc2C)CCc3cccc(c3)NO -MOL_01_023873,CCCC(=O)C1CCCN(C1)C(=O)c2ccc(C)c(c2)NC -MOL_01_023874,Cc1cccc(c1)/C=C/c2ccc(cn2)C(=O)NC3CCC3 -MOL_01_023875,Cn1cc(cn1)CCC(=N)N2CCCC(C2)Nc3ccc(C(N)N)cc3 -MOL_01_023876,Cc(c1)ccc(c12)NC(O)c3c(C2)ccc(c3)NC(O)CCCl -MOL_01_023877,Clc1ccc(cc1)NC(O)c2cc(C)ccc2NC(O)c3cccnc3C -MOL_01_023878,NCc1ccc(cc1)NC2=NC(=CN(C)C2=C)Cc3ccc(C)cc3C -MOL_01_023879,CNc1cccc(c1)C2(N)c(cccc3)c3Nc(c24)cc(cc4)C(N)N5CCNCC5 -MOL_01_023880,CC(C)(C)NC(O)C1CCN(CC1)Cc2cccc(c2)NC(O)Cc3cnccn3 -MOL_01_023881,CC(C)N(C)CC(=O)NC(C)c1ccc(c(F)c1)Cc2cccnc2 -MOL_01_023882,c1ccccc1CN(C)CCNC(O)Cn2c(O)cc(c23)cccc3 -MOL_01_023883,Fc1ccc(cc1)N2CCN(CC2)C(=N)CCC(=N)C3(CC3)c4ccccc4 -MOL_01_023884,C1CCc(c12)ccc(c2)C(=O)N(C3)CCN(C34)C(=O)NC4 -MOL_01_023885,NC(=O)C1CCN(CC1)C(=O)CCCCCN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_023886,c1ccccc1C(C)N2CC(CC2=N)C(=N)N3CCN(CC3)c4ccccc4 -MOL_01_023887,CCNc1ccc(cc1)C2N=C(N)Cc(c23)cc(NC)c(c3)NC -MOL_01_023888,OC(C1)Oc(c12)ccc(c2)OC(O)/C=C/c3ccccc3 -MOL_01_023889,OC(O)/C(C)=C/CC(C1O)=C(C)C(O)c(c12)cccc2 -MOL_01_023890,c1cccc(c12)CCCC2NC(=C)CN3CCC(C(=C)N)CC3 -MOL_01_023891,C1CC1N2CCN(CCC2)C(=N)c3cc(CNC)c(cc3)Cc4ccccc4F -MOL_01_023892,CCCCn(c1=N)ccc(c12)c(ccc2)CCC(=N)NCc3ccccc3 -MOL_01_023893,c1cc(N)cc(c12)ccc(c2)CCC(=N)NC3=C(C(N)N)CC(CC3)c4ccccc4F -MOL_01_023894,C1CCCC(=N)C1(C(C)NCCC)c2cccnc2 -MOL_01_023895,c1cnccc1C(=N)N(C2)CCc(c23)c(cnc3)CCCC4CC4 -MOL_01_023896,CCCCCC(N)c1cccc(c12)nc3c(n2)ccc(c3)C(N)CCCCl -MOL_01_023897,NCc1ccc(cc1)CCN2CCC(C2)NC(N)C34CC5CC(C3)CC(C5)C4 -MOL_01_023898,c1ccccc1-n2nc(C)c(n2)C(O)Nc3cccc(c3)C(O)NC4CC4 -MOL_01_023899,c1cncnc1CNC(=C)c2ccc(CC)c(c2)CC3CCN(C(C)C)CC3 -MOL_01_023900,CC1=C(C)C(O)N(C1O)c2ccc(C)c(C)c2C -MOL_01_023901,CC(=O)C(C)(N)Cc1ccc(C)cc1 -MOL_01_023902,CNc1ccc(cc1NC)CCC(N)c2c(NC)cc(C)c(C)c2C -MOL_01_023903,CCc1cc(C(C)C)c(cc1N)Cc2cnc(nc2N)NC(=O)CCC(C)C -MOL_01_023904,CC(O)c(c1C)ncc(c12)cccn2 -MOL_01_023905,c1cccc(c12)c(=C)c(c(C)c2=C)C(NCc3ccccn3)c4ccc(C)c(c4)CN -MOL_01_023906,c1ccnc(c12)N(C3CC3)c4c(N=N2)cccn4 -MOL_01_023907,Cc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)CCc4ccc(ON)cc4 -MOL_01_023908,CCN1CCN(C)CC(C1)NC(=O)c2cc(Cl)c(N)cc2CN -MOL_01_023909,Cc(c1)c(C)cc(c12)NC(O)C2O -MOL_01_023910,COC(=O)C(C)(C)NC(=O)C(C=1)=CC(C12)=CC(=N2)N(C)C -MOL_01_023911,Clc1cc(cnc1)C(=N)Nc2cccc(c2)CN3CCC(CC3)C(=N)NC4CCCC4 -MOL_01_023912,CCc1c(CC)cc(cc1CC)C(N)N2CC(N)Nc(c23)cccc3 -MOL_01_023913,c1cccnc1CCNC(N)c2ccc(cc2)CC3CCN(CC3)CCc4ccccc4 -MOL_01_023914,CC(C)Cc1ccc(cc1)C(C)n2nc(CN)cc2N -MOL_01_023915,Cc(c1)ccc(c12)ncc(c2C)C(N)N3CCCCCC3 -MOL_01_023916,C=C1C(O)=CC=CN1Cc2ccc(cc2)Cn3cc(nn3)-c4ccccc4 -MOL_01_023917,CC1(C)C(=O)N=NC(C1)c2ccc(cc2)OC3CCN(CC3)C4CCC4 -MOL_01_023918,CC(C)(C)c1ccc(cc1)CCCC(C2)CCn(c23)cc(n3)NO -MOL_01_023919,Cc(c1)ccc(N=C2O)c1C23OCCO3 -MOL_01_023920,c1nccc(c12)CN(C2)C(N)Nc3ccc(cc3)C(N)N(C4)CC45CCCCC5 -MOL_01_023921,NCc1c(O)nc(nc1C(C)C)CCc2cccc(F)c2F -MOL_01_023922,Cc1cc(CN)ccc1CN(Cc(c23)cccc3)CC(C2)c4ccccc4CN -MOL_01_023923,CCc1cc(Cl)c(CN)c(c1C)C(N)NC2CCN(CC2)Cc3ccccc3 -MOL_01_023924,CNCCNC(=N)C1CCCN(CC1)C(=N)c(c2)ccc(c23)C(C)(C)CCC3(C)C -MOL_01_023925,c1ccnc(c12)nc(nc2C)CCCCc3cccc(N)c3 -MOL_01_023926,NCc(c1)c(C)cc(c12)nnc(n2)NC(CC34)C(C3)CC4 -MOL_01_023927,Cc1cccc(n1)CCNC(=N)CC2C(=N)NCCN2Cc3ccc(F)c(F)c3 -MOL_01_023928,CNc1cc(N)c(c(c1)NC)C(N)C2Cc(c23)cccc3 -MOL_01_023929,NCc1cc(cc(c1)CN)C(C)NCC2(C(C)CN)CCN(CC2)Cc3cccc(c3)CN -MOL_01_023930,CC(C)Cc1ccc(cc1)NC(O)CN2CCN(CC2)c3ccc(O)cc3 -MOL_01_023931,Clc1ccc(cc1)COc2cccc(CC(N)N)c2NC(N)c3ccccc3 -MOL_01_023932,Cc1cc(CCN)nc(n1)C2CCCN(C2)Cc3cc(CN)ccc3F -MOL_01_023933,c1ccccc1C(C2CCCCC2)C(=N)NC3CCN(CC3)C(=N)CCc4cccnc4 -MOL_01_023934,C1CCCCN1c(c(CO)c2O)cc(c23)cc(c(F)c3)N4CCCCC4 -MOL_01_023935,CN(C)CC(C)Cc1cncc(n1)NC(=O)Nc2cc(Cl)ccc2CN -MOL_01_023936,Cc1cc(C)cc(c1)NC(O)c(c2C)ccc(c23)cccn3 -MOL_01_023937,NCc1cccc(c1)Nc2cc(ncn2)NC(O)CCCC(O)O -MOL_01_023938,CCCCN(CC1(C)C)C(=O)C1Cc2ccc(CN)c(c2)C(C)(C)C -MOL_01_023939,FC(F)Nc1c(C)cc(cc1C)C(C(C(=N)C2)C(=N)CC2(C)C)C(C(=N)C3)C(=N)CC3(C)C -MOL_01_023940,Cc1ccc(c12)nc3c(c2)c(C)cc(o3)O -MOL_01_023941,CCCC(=O)NCCC(=O)NC(C)(C)c(c1)ccc(c12)CCCC2 -MOL_01_023942,Cc1ccccc1NC(=N)COc2coc(cc2=N)CN3CCN(CC3)Cc4ccccc4 -MOL_01_023943,CCCCn1cnc(c1)C(C(=C)C)Cc2ccc(N)nc2 -MOL_01_023944,CNc1ccccc1C(=N)NCC2(CCC(=N)CC2)c3ccccc3 -MOL_01_023945,NCCc1c(N)c(C)cc(c1)CC23CC4CC(C2)CC(C4)C3 -MOL_01_023946,CCCc1ccccc1CN2CCC(CC2)Cc3cccc(c3)C(N)NCCCN -MOL_01_023947,COc1cc(ccc1)/C=C2\CC(=C)N(C2=O)CCC(=O)Nc3ccc(O)cc3 -MOL_01_023948,CC(C)(C)CNC(=O)c1ccc(cn1)/C=C/c2cccc(F)c2 -MOL_01_023949,CCc1ccccc1C(C)(C)NC(N)c2ccc(F)c(c2)NC(C)N -MOL_01_023950,Cc1ccc(cc1C(=O)N)C(C)CNC(C)CN2CCC(CC2)NC(=O)c3ccccc3 -MOL_01_023951,NCc(c1)ccc(c12)c(ccn2)Cc(c3)ccc(c34)c(ccc4)C(N)NC5CC5 -MOL_01_023952,c1ccccc1CN(C(C)C2)CCC2(CN)Nc3cccc(F)c3 -MOL_01_023953,CCCn1nc(CC)c(n1)C(CN)c2cc(Cl)cc(Cl)c2 -MOL_01_023954,Nc1ccccc1CCc2cc(N(O)O)cc(c23)COCO3 -MOL_01_023955,CNc1c(C)nn(c1C)C(C)C(O)NCc2ccccc2 -MOL_01_023956,c1cccc(c12)C=C(NC)C(C2)Nc3cc(NC)cc(c3)NC -MOL_01_023957,CC1(C)CN(CC)C(=O)C1Cc2ccc(CN)c(c2)C(C)(C)C -MOL_01_023958,C1CCCCCC1NC(=N)CC2C(=N)NCCN2Cc3ccc(CN)cc3F -MOL_01_023959,c1ccccc1CN(C)c2oc(nc2CN)CCc3ccccc3F -MOL_01_023960,O=C(O)CN1C(O)/C(CC1=C)=C/c2ccc(OCc3ccccc3)c(c2)OCc4ccccc4 -MOL_01_023961,CNc(c1)ccc(c12)C(CC(N2)N)c3ccccc3NC -MOL_01_023962,Cc1cnccc1N(CC2)CCC2(C(C)O)n3cc(N)cn3 -MOL_01_023963,CCCc(c1)ccc(c12)oc(c2C)C(O)CCC(O)NC3CC3 -MOL_01_023964,Fc1c(F)cc(F)c(F)c1CCC(=O)C(CC(=O)C)NC(=O)C2CCN(CC2)C(=O)C3CC3 -MOL_01_023965,n1cccc(c12)ccc(c2C)C(N)NCCc3ccc(Cl)cc3 -MOL_01_023966,C1CCCCC1c2nc(C(C)N)c(nn2)C3CCCCC3 -MOL_01_023967,c1ccccc1CC(C(=O)CCC)C(=O)NCc2cccnc2 -MOL_01_023968,COc1ccc(cc1OC)CCNC(=N)c2ccccc2NC(=N)c3ccco3 -MOL_01_023969,Cn1nc(C(N)N)cc1C(N)N(C)Cc2cccc(c23)nccc3 -MOL_01_023970,NC(=O)c1cncc(c1)CCc2cccc(c2)NC(=O)c3ccc(cc3)-n4cccc4 -MOL_01_023971,C1CCCC1C(=N)NCC2CCCN2C(=N)CC(N)Cc3cc(F)c(F)cc3F -MOL_01_023972,CC(C)(C)c1ccc(cc1)NC(=C)c2ccccc2-n3cnnn3 -MOL_01_023973,CNc1ccc(cc1C(F)(F)F)NC(=O)C(C)(C)CCc2ccc(C(=O)C)cc2 -MOL_01_023974,NCc1nc(ccc1)-c2ccc(C)c(c2)CNCc3cccc(CN)c3CN -MOL_01_023975,CCCCC(C)(C)n(c1N)nc(c12)cccc2 -MOL_01_023976,c1ccccc1CN2CCN(CC2)CC(N)CNc3ccc(F)cc3C(N)CCc4ccccc4 -MOL_01_023977,CNc1cccc(c1)NC(O)N2CCCc(c23)cccc3 -MOL_01_023978,CCc1ccccc1NC(O)CN(CC)C(O)CCc2ccccc2 -MOL_01_023979,c1ccccc1C(=O)CC2CCCCC2n3cc(nn3)CN4CCCCC4 -MOL_01_023980,NCCCNCCCCNCCCN(C1N)c2cccc(c2c13)ccc3 -MOL_01_023981,CCNC(N)c1cn(nc1CC(C)C)-c2cccc(c2)C(N)N -MOL_01_023982,CC(C)(C)c1cccc(c1)C2(CCC2)NC(N)CCN -MOL_01_023983,NC1CCCCC1CN2CCN(CC2)CCNC(c3ccc(F)cc3)c4ccc(F)cc4 -MOL_01_023984,Cc1ccc(cc1)C2CC(N)Nc(c23)cc(N)cc3 -MOL_01_023985,CCc1ccc(cc1)NC(=C)CC(C(=C)N2)Cn(c23)ncn3 -MOL_01_023986,CNc1ccc(cc1NC)C(CN)(C(C)C)CCCN(C)C23CC4CC(C2)CC(C4)C3 -MOL_01_023987,CC(C)N(C(C)C)C(N)c1ccc(cc1)C(=C2)c(cccc3)c3CC24CCNCC4 -MOL_01_023988,Cc1ccc(cc1)-n2cnc(N)c2C(O)CN -MOL_01_023989,NCC(C1C)=C(N)CC(=C12)CC(CC2=C)c3cccc(c34)cccc4 -MOL_01_023990,CC(C)(C)c1cc(nc(c1)C(C)(C)C)C(=O)NC2CC2 -MOL_01_023991,CC(O)OC(N(C)C=1O)=Nc(c12)cc=3c(c2)N=C(N(C)C3O)OC(C)O -MOL_01_023992,c1cccc(c12)ncnc2CCC(O)NCCc3ccccc3 -MOL_01_023993,C1=CCn(c12)cc(n2)CNC(=O)c3ccc(cc3)CN4CCCCC4 -MOL_01_023994,Cc1nc(N)nc(c1NO)NCCCCCCc2ccccc2 -MOL_01_023995,NCc1cc(c(CN)cc1Cl)NC(O)CN2CCN(CC2)C(O)C3CCCC3 -MOL_01_023996,NCCCCc(nc1)cc(c12)cc(CN)c(c2)CN -MOL_01_023997,c1cccc(c12)cc(N)c(c2)-c3ccc(cc3Cl)NC(N)c4cccnc4 -MOL_01_023998,CCC(=O)c1c(C)cc(C)c(Cl)c1CCC(=O)Nc2ccccc2N -MOL_01_023999,NCC(=N)NC(CC1)CCC1(c2ccccc2)CNC(=N)c3ccccc3CN -MOL_01_024000,CCCCC(CC)C(O)Cc1c(Cl)c(Cl)c(CN)c(Cl)c1CN -MOL_01_024001,CC(=N)c1ccccc1C(=N)Nc2ccc(cc2)Cn3ccnc3Cc4ccc(CN)cc4 -MOL_01_024002,COc1ccccc1CCOCc(n2)nc(O)c(c23)cccn3 -MOL_01_024003,NCC(=O)CC(=O)Nc1cccc(c1)CCc(n2)ccc(c23)cccc3 -MOL_01_024004,c1nccnc1N(C)CC(O)NCC(C)(C)c(c2)ccc(c23)CCC3 -MOL_01_024005,c1cccc(c12)cc(c(c2C)CC(C)CC)-c3cc(CN)c(CN)c(c3)CN -MOL_01_024006,Nc1cc(ccn1)C(=C)N(CC23)C(CC2)CN(C3)Cc4cccnc4 -MOL_01_024007,Nc1cc(cc(c1)N)NC(=N)c2cncc(c2)-c3ccc(CN)cc3 -MOL_01_024008,CNc1ccc(cc1C)C(=O)CCC(=O)N2CCCCCC2 -MOL_01_024009,CC(C)CCCNC(O)c1ccc(CC)c(c1)CC2CCN(C(C)O)CC2 -MOL_01_024010,Cc1cccc(c12)C(c3c(C2)cc(Cl)cc3)NC(N)CCN4CCCCC4 -MOL_01_024011,CCc1ccc(cc1)C(CC2(C)C(C)(C)C)=NN2C(O)CN -MOL_01_024012,NC(=O)CN1CCCN(CC1)C(=O)CCCc2ccccc2Cl -MOL_01_024013,CN(C)c1nccc(n1)-c2cnc(N(C)C)nc2N -MOL_01_024014,Cc1cncc(c1)Oc2cncc(n2)NC(O)c3cccc(n3)C -MOL_01_024015,Nc1cccc(c12)cc(CN)c(n2)CNCN3CCCCC3 -MOL_01_024016,Cc(n1)cc(C)n(c12)c(nn2)CCc3ccc(CN)cc3 -MOL_01_024017,NCc(c(n1)N)cc(c12)ccc(c2)NCc3cccc(c3)C(N)N -MOL_01_024018,Cc1cccc(N2CCCC2)c1NCC(=O)NC(=O)NCCCN -MOL_01_024019,Cc1ccc(cc1)C(C)NNC(C)c2cccc(c2)NC(C)(C)c3cnc(C)nc3C -MOL_01_024020,C1C(C2)CC(C3)CC1CC23C(=N)N4CCN(C(N)C4)c5ccccn5 -MOL_01_024021,C1CCCCN1C2=C(Cl)C(O)N(C2O)Cc3ccccc3 -MOL_01_024022,Cc1cccc(c1)CC(CN)N2CCNC2=O -MOL_01_024023,COc1cc(CO)ccc1OCCCOc2ccccc2C(O)OC -MOL_01_024024,CNc1ccc(c(Cl)c1)NC(=O)c2cc(cc(C)c2C)C(=O)c3ccc(N)cc3 -MOL_01_024025,CC(C)c1ccccc1C(N)N(CC2CC2)C3CCNC3 -MOL_01_024026,CCCC(=O)C(N=1)=NC(=O)C(C12)=C(C)C(=C2)CC -MOL_01_024027,CNc1cccc(c1)C(N)C2=NCCc(c23)cc(cc3)NCc4ccccc4 -MOL_01_024028,CNc1ccc(cc1C)Cc2nccc(c23)cc(c(c3)NC)NCCCl -MOL_01_024029,CNc1cc(N)c(Cl)cc1C(N)NCCN2CCN(CC2)c3ccc(F)cc3 -MOL_01_024030,Nc(c1)ccc(c12)C(N)C(N2)Cc3ccc(N)c(N)c3 -MOL_01_024031,CCOc1ccc(C(=O)C)cc1COC(=O)c2cccnc2CC -MOL_01_024032,Oc1cc(ccn1)NC(O)c2ccc(C(F)(F)F)cc2OCCCC(F)(F)F -MOL_01_024033,C1C(C2)CC(C3)CC1CC23C(=C)NC4CC(=C)N(C4=C)CCN5CCN(CC5)c6ccccc6ON -MOL_01_024034,Fc1ccc(cc1)NC(=N)c2cccnc2NCCc3ccccc3 -MOL_01_024035,Cc1ccc(cc1)Nc2cnc(nn2)-c3ccc(N)cc3 -MOL_01_024036,NC(N1)=NC(C1=2)N=NN=NC2c3ccc(Cl)cc3 -MOL_01_024037,c1cccc(c12)c(=N)n(nc2)CCCN3CCN(CC3)c4cccc(c4)CN -MOL_01_024038,Nc1nnc(cc1)/C=C/c2cc(ccc2C)C(=O)Nc3ccc(cc3)CN4CCN(C)CC4 -MOL_01_024039,CNc1cccc(NC)c1NCCNCC(N2)CNc(c23)cc4c(c3)CCCC4 -MOL_01_024040,Cc(c1)ccc(c12)CC(C)CN(C2)CCNC(N)c3cccc(c3)Cn4cccn4 -MOL_01_024041,Cc1cccc(c1)Cn2cccc(c2=N)NC(=N)Nc3cccc(c3)CN -MOL_01_024042,NCc1cccc(c1CN)-c2nnn(n2)CC(O)NC3CCCC3 -MOL_01_024043,CCCN(CC1C)Cc(c12)c3c(cc(CN)c(c3)CN)c4c2ccc(c4)CN -MOL_01_024044,CNc1ccc(c(N)c1)CC(C2N)Nc(c23)cccc3 -MOL_01_024045,c1ccccc1CCC(=N)C(C(C)C)NC(=N)c(nc2)cc(c23)cccc3 -MOL_01_024046,Nc1cccc(c1)CC2CC=NC2c3cccnc3 -MOL_01_024047,Cn1cccc1Cc2nnc(n2C)CCC(O)NCC3CCCO3 -MOL_01_024048,NCC(=N)C(C12)=C(C(C1)CC2)c3ccccc3Cl -MOL_01_024049,c1ccccc1C2(c3ccccc3)C(=N)CC(C2)Cn4ccnc4CF -MOL_01_024050,C=Cc1ccc(cc1)NC(=N)CCc2c(Cl)c(C)cc(C)c2C(=N)CN -MOL_01_024051,Fc1cc(cnc1)C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCCC4 -MOL_01_024052,Cc1ccc(c(C)c1)OCc2cc(no2)C(O)NC(C)CCn3cccn3 -MOL_01_024053,c1cncnc1NC(O)c2ccc(cc2)NC(O)N(C3)Cc(c34)cccc4 -MOL_01_024054,c1ccccc1C2(CC2)C(N)Nc3ccccc3N4CCCC4 -MOL_01_024055,CC(C)CNC(O)Nc1cc(ccn1)C(O)N2CCC(CC2)c3ccc(CN)cc3 -MOL_01_024056,CCC(C)NC(C)Cc1ccc(cc1)/C=C/c2cnc(nc2)NCc3ccncc3 -MOL_01_024057,CNc(c1)ccc(c12)/C(C(N)CC2)=C/c3ccc(N)cc3 -MOL_01_024058,CNc1c(F)cc(cc1F)CC(NCCC)C(N)c2cc(NC)c(NC)c(c2)NC -MOL_01_024059,c1ccccc1CC(CC)N2CCN(CCC2=N)C(N)c3ccccc3 -MOL_01_024060,CC(C)c1cc(CN)c(N)cc1Cc2cnc(nc2N)NCCCO -MOL_01_024061,NCC(C1(C)C)=C(N)CC(=C12)CC(CC2=O)c3ccccc3 -MOL_01_024062,CC(C)(C)c1ccc(cc1)-c2cnc(N)c(c2)-c3ccc(CN)nc3 -MOL_01_024063,c1ncnn1CC(C(=N)CC(C)C)NC(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_024064,CCCNC(N)C1(CCCCC1)Cc2ccccc2-c3cccnc3 -MOL_01_024065,CN(C)C(=O)CC(C1)c(cccc2)c2CC13CCN(CC3)C(=O)N(C)C -MOL_01_024066,CCC(CC)Nc1c(C)nc(nc1CN)-c2c(C)cc(C)cc2CN -MOL_01_024067,COc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)C(F)(F)F -MOL_01_024068,CNc1ccc(cc1)CCC(=O)C2CC(=O)N(C2)c3ccccc3 -MOL_01_024069,CNc1ccc(cc1NC)C(N)NCc2cccc(c2)C(N)Nc(c3)ccc(c34)CNCC4 -MOL_01_024070,CCN(CC)CCNC(O)c1cc(Cl)c(N)cc1CC(C)C(C)C -MOL_01_024071,Cc1ccc(c(C)c1)-n2nnnc2CCC(=O)NCCC3=CCCCC3 -MOL_01_024072,CNc1ccc(cc1C(F)(F)F)CC(=O)C(C)(C)CNc2ccc(F)cc2 -MOL_01_024073,CC(=O)c1ncccc1NC(=O)c2cccc(c2)Cc3ccccc3 -MOL_01_024074,NOc1cc(nc(n1)N)/C=C/c2ccc(cn2)/C=C/COc3cccnc3 -MOL_01_024075,CCCCC1CC(C)C(NN)=C(N1C)N(C)Cc2ccc(Cl)nc2 -MOL_01_024076,COC(O)c1cccc(c12)nc3c(n2)ccc(c3)C(O)C4CCCCC4 -MOL_01_024077,NCC(=C)C(CN)c1c(Cl)c(=C)c(C)c(C)c1=C -MOL_01_024078,CC(=N)Nc1ccc(cc1)N(CC2CCCN2)C(=N)C(C)Cc3cccc(Cl)c3 -MOL_01_024079,NCCCCCC1=NC(c2ccc(N)cc2)=CC(N1)c3ccc(O)cc3 -MOL_01_024080,Nc1nc(ccc1)CNC(=N)C2CCC(=N)N(C2)CCc3cccc(F)c3 -MOL_01_024081,NCc1ccc(cc1)C2(C)CC(C)C(c3ccc(CN)cc3)=C2Cc4ccc(CN)cc4 -MOL_01_024082,Cc1cc(C)cc(c1)CC(=N)NCC(c2ccccc2CN)N3CCC(CC3)N4CCCCC4 -MOL_01_024083,NC(=O)CCC1NC(=C)N(C1=O)Cc2ccccc2 -MOL_01_024084,NCc1ccc(cc1)C(N2CCCC2)CNC(=N)c3ccc(cc3)N4CCCC4=N -MOL_01_024085,c1cccc(c12)nc(n2CC)NNc3ccc(OC)cc3 -MOL_01_024086,c1cccc(c12)c(nnc2N)Cc3cccc(c3)N4C(N)CCC4N -MOL_01_024087,Cc1cccc(c1)C2C(CN)=C(N)Cc(c23)cc(N)cc3 -MOL_01_024088,c1cccc(c12)ncc(C)c2C(N)N3CCN(CC3)CN(C)C -MOL_01_024089,CNc1ccc(cc1NC)C2CCC(N2)NCCCc3ccccc3 -MOL_01_024090,C1C(C2)CC(C3)CC1CC23C(=N)N4CC(C)N(CC4)c5ccccc5CN -MOL_01_024091,N1CNc(c12)ccc(c2)-c3c(CNC4)c4cc(c35)cc6c(c5)NCN6 -MOL_01_024092,Cc1cccc(c1)OCC(=O)Nc(c2)ccc(c2=3)=NC(\C3)=C/Cc4ccccc4 -MOL_01_024093,Cn1ccc(cc1=O)C(=O)NCCCc(c2)ccc(c23)CNC3 -MOL_01_024094,CNc1ccc(cc1NC)/C=C(\c2ccc(N)cc2)CN3CCCCC3C -MOL_01_024095,CNc1ccc(cc1)CNC(=O)c(c(C)c2)cc(c23)cccc3C -MOL_01_024096,Cc1ccc(c(C)c1)C(C)c2ccc(cc2C)Cn3nnc(C(C)N)c3N -MOL_01_024097,Cc1cccnc1N2CCC(CC2)CC(O)N3CCN(C(C)C)CC3 -MOL_01_024098,Cc1ccc(cc1C(N)O)-c2ccncc2 -MOL_01_024099,NCc(c1)c(CN)cc(c12)C(C)C(C2)N3CCC(CC3)c4cccc(c45)CCCC5 -MOL_01_024100,Nc1cc(O)nc(n1)CCC(=O)Nc2ccccc2-c3ccccc3 -MOL_01_024101,Cn1cc(cn1)C(N)N2CCCC(C2)c3ccc(N)cn3 -MOL_01_024102,c1ccccc1C(c2ccccc2)CC(N)NC(C(N)N)Cc3ccc(cc3)NCc4ccccc4 -MOL_01_024103,CC(C)c1ccc(cc1)C(N)(C(N)N)c2ccc(C(C)C)cc2 -MOL_01_024104,NCc(c1)c(CN)cc(c12)cnc3c2ccc4c3ccnc4Cl -MOL_01_024105,CCCC(C)c1cccc(c12)nc3c(n2)cccc3N -MOL_01_024106,NCc1ccccc1NCc2cn(nn2)Cc(c3)ccc(c34)C(N)c5c(C4N)cccc5 -MOL_01_024107,CNc(c1)ccc(c12)NC(O)C(CN)N=C2c3ccccc3 -MOL_01_024108,c1cccnc1C(C)(CN)Cc2ccc(CN)nc2CN -MOL_01_024109,n1cccc(c12)cccc2NC(C)Nc3ccc(CN)cc3 -MOL_01_024110,c1cccc(c12)CCC(C2)C(=C)NCc3nncn3C4CCCCC4 -MOL_01_024111,COc1ccc(cc1)NC(=O)COc2ccc(cc2OC)CC3CC(=O)NC3=O -MOL_01_024112,CCCc1cc(ccc1C)C(=O)CCC(=O)CCC(=O)NC(=O)NCC(C)C -MOL_01_024113,c1cccc(c12)N(CC(N2)O)C(O)Cc3cccc(c34)cccc4 -MOL_01_024114,O=C(N1)C(=O)C(=O)NC12Cc3c(N2)cccc3 -MOL_01_024115,COc(c1O)c(OC)cc(c12)C(O)c3c(C2O)c(OC)c(O)c(c3)C -MOL_01_024116,Cc1ccc(N)cc1NC(N)c2cncn2-c3ccccc3 -MOL_01_024117,CCc(c1)c(CC)cc(c12)CCN(C2)C(O)CCc3ccc(CN)cc3 -MOL_01_024118,CCC(=O)c1c(C)nc(C)nc1CCc2cccc(c23)cccc3 -MOL_01_024119,CNc(c1)ccc(c12)cc(cc2CCNC(C)N)-c3cccc(c3)NC(C)N -MOL_01_024120,NC(=O)c1ccc(cc1)NC(=O)CCC(=O)C(C2)CCc(c23)cccc3 -MOL_01_024121,Cc1ccc(cc1)NC(=N)c2ccc(cc2)CN(C3=N)CC(=N)N(C34)CCCC4 -MOL_01_024122,Cc1cccc(c1C)OCC(C)NC(=O)C(CN)C(C)(C)C -MOL_01_024123,Cc1ccccc1CN2CCC(CC2)Cc3cc(C(N)NC4CC4)ccc3CN -MOL_01_024124,c1ccncc1CNC(N)C(C)Cc(c2)ccc(c23)c4c(c(c3)N)CCC4 -MOL_01_024125,CCC(C)Oc1ccccc1CN(C2O)Cc(c23)nccc3 -MOL_01_024126,N=C1CCCN1c2ccc(cc2)C(=N)N3CCN(CC3)c4cccc(C(F)(F)F)c4 -MOL_01_024127,NCc1cc(C(C)C)c(cc1C=C)Cc2cnc(nc2N)NC(CC)CC -MOL_01_024128,CNc1cccc(c1)C(CN(C)C)C2(N)CCCCC2 -MOL_01_024129,CC(C)(C)NC(=N)CN(C(C(C)=N)CC(C)C)C(=N)C(N)Cc1ccccc1 -MOL_01_024130,c1ccccc1C(C)CC(N)Nc2cccnc2 -MOL_01_024131,Cc1cc(C)nc(n1)CC(F)(F)c(o2)nc(c23)cccc3 -MOL_01_024132,Fc1ccc(cc1)C(C(C)C)NC(N)CC2CCN(CC2)CCc3cccc(c3)CN -MOL_01_024133,Cc1cc(C)nc(n1)CCc2cc(=O)c(co2)OC(=O)c3ccco3 -MOL_01_024134,Cc1ccc(cn1)C(C)N2CCC(CC2)Nc3cccnn3 -MOL_01_024135,NCc1cc(ccc1)C(C)NC(=N)c2ccc(c(F)c2)-c3ccncc3 -MOL_01_024136,Oc1ccccc1-c2nc(co2)C(O)NCC(O)Nc3ccccc3 -MOL_01_024137,CCC(=O)c1ccc(cc1)NC(=O)N(CC2)CCC2(C)c3cccnc3 -MOL_01_024138,C1CCCCCC1NC(=C)CN(C(N)=C2)C(=C)c(c23)cccc3 -MOL_01_024139,Cc1ccc(c(C)c1)C(=N)CCc2ccc(cc2)C(CN)C(=N)Nc(c3)ccc(c34)cncc4 -MOL_01_024140,Cc1cc(C)c(c(n1)O)CNC(O)C(C)Cc2ccccc2CN -MOL_01_024141,CC(C)NCc1cc(ccc1NC)-c2cccc(c2)NC(=N)c3cccc(F)c3 -MOL_01_024142,c1ccccc1C(C)CC(N)NCn2cc(nn2)-c3ccccc3 -MOL_01_024143,NCc1ccc(cc1)-c2ccc(cc2)C(N)(N)C(C(C3)C(N)N)Cc(c34)cccc4 -MOL_01_024144,CCCCc1ccc(cc1)CNC(=N)Cn2ncc(c23)cccc3 -MOL_01_024145,CCCNC(=O)NC(=O)CNc1c(C)cccc1N2CCCC2 -MOL_01_024146,c1cccc(c12)c(O)n(c2)-c3ccccc3C(O)NCc4ccccc4 -MOL_01_024147,c1ccccc1C2C(CN)=C(N)Cc(c23)ccc4c3cccc4 -MOL_01_024148,c1ccccc1CNC(=N)NC(CN2CCCC2=N)CN3CCN(CC3)c4ccccc4 -MOL_01_024149,C1=CCCC(C12)N=C(NC2=N)CCCN3CC=C(CC3)c4ccccc4 -MOL_01_024150,Cc1cc(C)cc(c1)C(=N)NCC(=N)CCC(=N)NC2CCCc(c23)cccc3 -MOL_01_024151,CC1(C)CC(=N)N(C1=N)C(C)C(=N)N2CCN(CC2)c3cccc(c3)CN -MOL_01_024152,CNc1ccc(cn1)NC(O)c2cc(ccc2C)NC(O)c3cccc(c3)C(C)(C)CN -MOL_01_024153,CCCC(=O)C(NC(=O)C)(C(=O)CCC)CC(=O)c1cccc(c1)NC -MOL_01_024154,NCc1cc(N)c(Cl)cc1C(=N)NCCC2CCCN(C2)Cc3ccccc3 -MOL_01_024155,c1ccccc1CN(C)C2CCCN(C2)C(=N)CCc3ccccc3CN -MOL_01_024156,CCOC(=O)C1CC(ON1)COc2ccccc2C=O -MOL_01_024157,c1ccccc1CNC(=N)C2CCCN2C(=N)CC(N)Cc3ccccc3F -MOL_01_024158,NCc1ccnc(c1CN)NCc2ccc(Cl)cc2 -MOL_01_024159,CC(C)c1ccc(cc1)NC(=N)CC(C(=N)CC2(C)C)N(C2)Cc3ccccc3 -MOL_01_024160,C=C(C)NC(C)c1ccc(cc1)CC2CN(C2)c3ncc(cn3)-c4ccnc(c4)CC -MOL_01_024161,CC(C)OC(O)(OC(C)C)C(C(O)(OC(C)C)OC(C)C)Cc(c1)ccc(c12)OCO2 -MOL_01_024162,Fc1cc(ccc1)Cc2n(C)nc(C)c2NC(N)C3CCCCC3 -MOL_01_024163,Cc1ccc(cc1)CCNC(=N)C2CCC(=N)N2Cc3cccnc3 -MOL_01_024164,CC(C)=CCC(C1O)=C(CC=C(C)C)C(O)c(c12)cccc2 -MOL_01_024165,C=C(N)c1ccc(cc1)NC(=C)CCc2nnc(C)n2-c3ccccc3 -MOL_01_024166,c1cccc(c12)c(nc(n2)CC)CCC(=O)c3ccccc3 -MOL_01_024167,CN(C)C(=O)NC1c(cccc2)c2Cc(c13)nccc3 -MOL_01_024168,c1cccnc1N(C)C(N)c2ccc(CN(F)F)c(c2)CC3CCCC3 -MOL_01_024169,C1CCCNCC1C(=N)NC(CN)Cc2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_024170,c1ccnc(c12)c(ccc2)CNc(n3)cn(c34)cccn4 -MOL_01_024171,C1CC1C(O)CN2CCN(CC2)C(O)c3cccc(c3)-c4ccoc4 -MOL_01_024172,COc1ccc(c(N)c1)C2N=CNC2c3ccc(OC)cc3N -MOL_01_024173,CCc1ccccc1CNC(=O)CCc2c(C)n(C)ccc2=O -MOL_01_024174,CC12CCC(C1(C)C)C(=N)N(C2=N)CCCCN3CCN(CC3)c4ccccn4 -MOL_01_024175,C1CC1CC(C(=O)CC)NC(=O)c2cnc(C3CC3)c(n2)CCC4CC4 -MOL_01_024176,c1cccc(c12)CC(C2)CCCC(=N)N3CCCC3C(N)N4CCCC4 -MOL_01_024177,c1ccccc1/C=C/c2cc(ccc2C)C(O)N3CCN(CC3)c4cnccn4 -MOL_01_024178,Cc1ccc(cc1C)OCC(=O)Nc2cnccc2CCCCO -MOL_01_024179,C=C(C)CCC(CC1)=C(C(=C)C)N(C12)C(=C)C2NC(=C)CCN -MOL_01_024180,Cc1ccc(nc1)CNCC2(F)CCN(CC2)C(=O)C(C=3)=CC(C34)=CC=C4 -MOL_01_024181,Cc(c1)ccc(c12)cc(O)c(c2)-c3ccc(Cl)nn3 -MOL_01_024182,c1ccccc1CC(N)C(=O)CCc2cn(nn2)-c3ccc(NO)cc3 -MOL_01_024183,NCCC(C)Nc1ccc(cc1)C(C)NCc2cccc(Cl)c2 -MOL_01_024184,c1cccc(c12)C(N)N(C2N)CCCCN3CCN(CC3)c4ccc(Cl)cc4Cl -MOL_01_024185,Clc1ccccc1CNC(=N)c2cccnc2Cc3ccccc3F -MOL_01_024186,CC(C)Cc1ccc(cc1)C(N)N(C2CCN(C2)CN)CCc3ccccc3Cl -MOL_01_024187,CCCCCC(N)c1ccc(cc1)CCCCN2CCN(CC2)C(N)c3cccnc3 -MOL_01_024188,CCCc1c(C)nn(c1O)-c2ncc(CN)c(n2)O -MOL_01_024189,NCc1c(CN)cc(cc1CN)C(NC(=C)C(F)(F)F)CC2=CCCCC2 -MOL_01_024190,CCCc1ccc(cc1)Nc2ccc(cc2NC)N3C(=O)CCC3=O -MOL_01_024191,Cc1ccc(cc1)-n2ccc(n2)C(O)N(CCO)Cc3cccnc3 -MOL_01_024192,CCc1cc(NC)ccc1NC2=CC(O)CCC2 -MOL_01_024193,CCCN1CCN(CC1)CCCNC(=O)c2ccc(cc2)NC(=O)C3=C(C)OCCC3 -MOL_01_024194,CCOc1c(CC)cnn(c1=O)-c2ccccc2 -MOL_01_024195,Cc1nccn1CCCNC(=N)C2CCC(=N)N(C2)Cc3cccc(c3)CN -MOL_01_024196,CCC(N)CN1CCN(CC1CCCN)C(=N)c2cccc(N)c2N -MOL_01_024197,CC(=O)c1cc(ccc1C)C2CCNC2C(=O)C -MOL_01_024198,CCc1cc(CC)cc(c1)NC2CCCN(C2)c3ncccn3 -MOL_01_024199,c1ccccc1C(CN)C(N)Nc2ccccc2-n3ccnc3 -MOL_01_024200,NCc1cc(N)c(Cl)cc1C(=O)CCC(=O)N2CCCCCC2 -MOL_01_024201,c1ccccc1C2CC(=CC(=N)C2C(=N)CCC)NCCCc3ccccc3 -MOL_01_024202,c1cccc(c12)ccc(c2)-c3c(C(N)N)ccc(c34)C(N)c5c(C4N)cccc5 -MOL_01_024203,C1NCCc(c12)ccc(c2)-c3cc(C(C)=N)ccc3CCc4ccccn4 -MOL_01_024204,NC(=O)c1cncc(c1)CCc2cccc(c2)NC(=O)c3ccc(F)cc3 -MOL_01_024205,NCc1cccc(c1)-c2ccc(nn2)CCc3ccccn3 -MOL_01_024206,CCCc1ccc(cc1NC)C(O)Nc2cccc(n2)C -MOL_01_024207,CCCCCC(N)c1ccc(Cl)cc1NC(N)c2ccccc2F -MOL_01_024208,OCCOc1ncc(cc1N)/C=C/c2ccc(O)cc2 -MOL_01_024209,c1cccnc1CCC(=N)NCc2ccc(cc2)C(=N)Nc3cc(ccc3N)-c4ccccc4 -MOL_01_024210,C1CCNCC1NC(N)C2(CCNCC2)Cc3ccc(Cl)cc3 -MOL_01_024211,CCCCNC(=O)CCC(=O)CNC(=O)c1cc(Cl)cc(c1)NO -MOL_01_024212,Fc1cc(F)ccc1NC(=N)NC2CC(=N)N(C2)Cc3ccccc3 -MOL_01_024213,Cc1ccc(cc1)CCc2nnc(CCC(=O)N)n2-c3ccc(CN)cc3 -MOL_01_024214,CNc1cccc(C(C)O)c1-c2c(NC)cccc2C(C)O -MOL_01_024215,c1cncc(c12)nc(nc2O)Cc3cnn(c3)C4CCCC4 -MOL_01_024216,Cc1cccc(n1)CN(C2)C(O)COC23CCN(CC3)C(O)C4CC4 -MOL_01_024217,CNc1ccc(cc1)CC(=C)N2CCC(CC2)C(C)(c3cccc(c3)CN)c4cccc(c4)CN -MOL_01_024218,Clc1cc(Cl)ccc1CC(CC)C(N)NCc(c2)ccc(c23)CNC3 -MOL_01_024219,NCc1ccc(cc1CN)C(CN2CCCC2)N(C)C(=N)Cc3ccc(Cl)c(Cl)c3 -MOL_01_024220,c1ccccc1C2CC(C)=NN2C(N)CCc3ccccc3 -MOL_01_024221,Cc1ccccc1-c2cc(C(C)N)ccc2NCc3ccccn3 -MOL_01_024222,NCc1cc(ccc1)NC(=C)CCC(=C)c2nc(Cl)ccc2Cl -MOL_01_024223,Cc1cnn(c1)CC2CCCN2C(N)Cc3ccc(CN)cc3CN -MOL_01_024224,CNC(N)c1cc(ccn1)Cc(c2)ccc(c23)ccc(c3)C(N)CC(C)C -MOL_01_024225,NCn1ncnc1CN2CCCC(C2)Cc3cccc(c34)cccc4 -MOL_01_024226,c1ccccc1C(NC)C(C)(C)C(=N)NCCc2ccccc2 -MOL_01_024227,CC1CCCN(C1)CCCC(=O)c2cc(Cl)c(N)cc2CN -MOL_01_024228,CC(N1)C(C)=Cc(c12)c(N)nc(c2)C -MOL_01_024229,Fc1ccc(cc1)C(=N)C2CCN(CC2)C(=N)c3ccc(F)cc3 -MOL_01_024230,NC(N)c1ccc(cc1)CCc2ccc(N)c(c2)C34CC5CC(C3)CC(C5)C4 -MOL_01_024231,c1cccc(c12)CCN(C2)CC(C)CNC(N)CCc3cccc(F)c3 -MOL_01_024232,CCC(C)(C1)NCCC12CCCN(C2)CCC(N)(c3ccccc3)c4ccccc4 -MOL_01_024233,CNc1ccc(cc1)CC(N)C2c(cccc3C)c3C(N)c(c24)c(C)ccc4 -MOL_01_024234,c1cccc(c12)ncc(n2)C(C)Nc3ccc(CN)cc3 -MOL_01_024235,CC(C)c1cc(ccc1)-n2cc(C)c(n2)C(O)NCCCN -MOL_01_024236,CCc1ccccc1N2CCN(CC2)CNC(C)c3cnccn3 -MOL_01_024237,O=C(O)CCCN1C(=O)/C(CC1=C)=C/c2cccc(c2)OCc3ccc(C)cc3 -MOL_01_024238,c1ccccc1C(CC)C(c2ccccc2)c3ccc(cc3)NCC(N)N -MOL_01_024239,CCC(=O)C(C)(C)NC(=O)c1cc(N)c(Cl)cn1 -MOL_01_024240,CN(C)c1cc(O)c(CN)c(n1)Nc2ccc(CN)cc2 -MOL_01_024241,CC(C)C(C)NC(=O)CCc1ncnc(c12)cccc2 -MOL_01_024242,CCCc1cc(NC)c(N)c(c1)-c2cc(CCC)cc(NC)c2N -MOL_01_024243,CC(=N)c1cccc(c1)NC(=N)N2CCCC2C(=N)NCc3ccc(C)cc3 -MOL_01_024244,c1cccc(c12)CCN(C2)CC(C)CNC(N)CCc3ccccc3C4CN(C)C4 -MOL_01_024245,CN1CCCC1CCc2cncc(c2)-c3cccc(N)c3 -MOL_01_024246,CC(=N)c1cccc(c1C)NC(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_024247,c1ccccc1CCNc2nccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_024248,n1cccnc1-n2nc(C)c(c2O)-c3ccccc3 -MOL_01_024249,CCCCNC1=CC(O)C(O)c(c12)cccc2 -MOL_01_024250,CC(C)(C)Cc1ccc(cc1)CCC(C2)CCc(n23)nc(c3)NO -MOL_01_024251,c1ccccc1C(C)(C(=N)CC(CN23)C(CC2)CC3)c4ccc(N)cc4 -MOL_01_024252,CC1(C)NC(=C)N(C(=C1)C)c2cc(CN)ccc2N -MOL_01_024253,C=C(C)CC(CN)c1cccc(c1)CCc2ccc(c(c2)C(N)(N)N)-c3cc(CN)ccc3F -MOL_01_024254,Cc1ccnc(c1)NC(O)c2cccc(NO)c2C -MOL_01_024255,CCN(C1N)c2ccc(c(c2c13)ccc3)NC(N)C(C)(C)C -MOL_01_024256,CN(C)CCCNc1cc(Cl)cc(c12)c(N)cc(c2)-c3cccc(CN)c3N -MOL_01_024257,c1ccccc1CC(O)Nc2ccccc2C(O)N3CCCCC3 -MOL_01_024258,CN(C)CCCc1cc(NCCCN)nc(n1)CCCN -MOL_01_024259,NCc1cc(ccc1)CC2(C(N)CCC)CCCN(C2)Cc3nccn3CC -MOL_01_024260,NCc1cccc(c1)NC(c(c23)cccc3)N(C2N)Cc4ccccc4Cl -MOL_01_024261,Cc1cc(CN)c(C(=O)N)c(c1)Nc2ccc(N)cc2C -MOL_01_024262,Cc1ccc(CN)c(c1)-n2cnnc2CC3CCNCC3 -MOL_01_024263,c1cccc(c12)C(N)N(C2N)CCCCN3CCN(CC3)c4ccc(Cl)cc4F -MOL_01_024264,NCC(N)CCC(N)Nc1ccccc1CCc(n2)ccc(c23)cccc3 -MOL_01_024265,CC(=O)CCC(=O)CCC(NC(=O)C(Cl)Cl)C(C)c1ccc(NF)cc1 -MOL_01_024266,COc1cccc(c1)Nc2c(Cl)c(OC)c(Cl)c(Cl)c2C(O)O -MOL_01_024267,CNc1ccc(c(c1)C(C)(C)C)NC(=O)CCC(=O)C2=CCCCC2 -MOL_01_024268,c1cccc(c12)n(nc2N)CCc3ccccc3 -MOL_01_024269,NC(=O)c1ccc(cc1)CC(C)(C)C(=O)N(CCCN)CC2CCCC2 -MOL_01_024270,CC(C)Nc1ccccc1N2CCN(CC2)Cc3ccc(n3C)C(N)N4CCCCC4 -MOL_01_024271,c1cccc(c2C)c1c(C)c(c23)c4c(cc3)C(N)CCC4N -MOL_01_024272,C1CNCCC1C(=N)NC(Cc2ccccc2)C(=N)NCc3ccc(CN)cc3 -MOL_01_024273,NCc1ccc(Cl)cc1NC(=N)CN(C)C(=N)c2ccc(c(c2)CN)CCc3ccccc3 -MOL_01_024274,CCCc1ccc(CCC)c(c1)NC(N)CN2CCN(CC2)CC(N)NC(C)C -MOL_01_024275,NCCC(CC)NC(=N)c1cn(C2CCCCC2)cc(c1=N)C(=N)NC(C)(C)C -MOL_01_024276,CCOc1cccc(c1)-c2ccc(c(Cl)c2)Nc3cnccc3C(O)O -MOL_01_024277,c1cccc(c12)ccc(CCC)c2C(N)NC(C3)(C(C)N)Cc(c34)cccc4 -MOL_01_024278,Cc1ccc(cc1C)C(=O)N2CCN=C2CCc3ccc(NN)cc3 -MOL_01_024279,CC1CC(=O)N=NC1c2ccc(cc2)NCc3ccccn3 -MOL_01_024280,C=C(N)c1ccc(C)c(C)c1N(C)c2ccc(N)cc2C -MOL_01_024281,c1cnccc1C(=N)CCC(=N)N2CCN(CC2)c3ccccc3 -MOL_01_024282,CCN(CC)c1nc(N)nc(C)c1NC -MOL_01_024283,c1ccccc1C(=N)CCC(=N)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_024284,CC1CCC(CC1)C(=N)NC(C(C)C)C(=N)NCCc2ccccc2 -MOL_01_024285,Cc1nc(NC(C)C)nc(c1N)-c2ccccc2 -MOL_01_024286,O=C1NCC(N12)CN(CC2)Cc3ccccc3CCc4ccccn4 -MOL_01_024287,c1ccccc1-c2ccc(N)c(c2)NC(N)c3ccc(cc3)CNC(N)CCc4ccccn4 -MOL_01_024288,CNC(N)CCc(c(n1)N)nc(c12)cccc2 -MOL_01_024289,NCc1ccc(cc1)-n2c(nnc2C)CCC(=O)N3CCCCC3 -MOL_01_024290,Nc1nccnc1NC(=NC2)CC23C4CCN(C3)CC4 -MOL_01_024291,CC(O)NCC1CC(=NO1)c2cc(C)c(cc2)-n3ccc(c3)CN -MOL_01_024292,NCC(=C)c1nc(N)nc(C)c1-c2ccc(Cl)cc2 -MOL_01_024293,Cc1ccc(Cl)cc1NC(O)COC(O)c2ccc(cc2)-n3cnnn3 -MOL_01_024294,CCn1c(C)nnc1CCCNc2cc(ncn2)CCN -MOL_01_024295,c1cccc(c12)C(=C)N(N=N2)CCCCCCn3ccnc3 -MOL_01_024296,ONC(=O)CCCCCCCC(NO)c(c1)ccc(c12)cccc2 -MOL_01_024297,NCc1ccc(cc1CN)C(CCCN)C(C(=C)C)C(=C)c2ccc(CN)cc2CN -MOL_01_024298,CC(N)c1ccccc1NC(N)CCc2ccc(cc2)-c3ccccc3Cl -MOL_01_024299,C1CCCCN1C(O)c2cnc(c(Cl)c2)NCC3CCCC3 -MOL_01_024300,Cc1c(C)ccc(c12)nc3c(n2)C(N)C3N -MOL_01_024301,c1cccc(c12)N(C=NC2=C)c3ccc(CN)c(Cl)c3 -MOL_01_024302,OC(O)CCN1C(O)/C(CC1=C)=C/c2ccc(c(c2)OC)OCc3ccc(C)cc3 -MOL_01_024303,CCCc1ccccc1NC(N)c2cccnc2Cl -MOL_01_024304,n1cccc(c12)c(ccc2C)CNc3ccccc3NO -MOL_01_024305,CCC(C)(C)C(=N)C(=N)N1CCCCC1C(=N)NCCCc2ccccc2NC -MOL_01_024306,c1ccccc1Cc2ccc(cc2)CCCn3cnc(c34)ncnc4 -MOL_01_024307,N=C(N)NC(N)c1ccc(cc1)CN(C2)CCc(c23)c(Cl)c(cc3)CCC4CCC4 -MOL_01_024308,Cc(n1)cc(C)c(c12)cc(cc2)C(=N)NCc3ccc(CN)c(F)c3 -MOL_01_024309,COc1ccc(cc1)-n2cnnc2CCC(=O)Nc3ccc(C(=O)N)cc3 -MOL_01_024310,c1cccc(c12)ncc(c2N)Cc3cccnc3 -MOL_01_024311,Cc1ccccc1C(O)N2CCC(CC2)C(O)Nc3ccccc3Cl -MOL_01_024312,Cc(c1)ccc(c12)NC(O)c3c(C2)ccc(c3)NC(O)CCl -MOL_01_024313,c1ccnnc1N(CC)CC2CCCN(C2)Cc3ncc(o3)C -MOL_01_024314,CCCC(=O)CCc1cccc(c12)c(=O)n(cc2)CC(=O)N3CCCCC3 -MOL_01_024315,NCC1CCCN1C(N)Cn2cc(nn2)-c3cccc(c34)cccc4 -MOL_01_024316,CCN(C)C(=N)c1ccc(nc1)Cc(c2)ccc(c23)CCN(CC3)C4CCC4 -MOL_01_024317,Fc1cccc(c12)N(C(=N)CC(N2)=N)C3CCN(CC3)C4CCCCCCC4 -MOL_01_024318,COc1ccc(cc1)Cc2nnc(o2)CC(C)C(=O)Nc3ccc(F)cc3Cl -MOL_01_024319,Cc1ccc(cc1)-c2ccc(c3c24)C(O)CC(O)c3cc(C)c4CC -MOL_01_024320,Cc1ccc(C)c(c1)Cc2ccc(cn2)CNC(=O)C3CNC(=O)N3 -MOL_01_024321,Cc(c1)ccc(c12)c3c(cc(C)cc3)n2CCC(C)NNC(C)NCC(C)C -MOL_01_024322,CCC(C)NC(N)c(c1)ccc(c12)Cc3c(C(=N2)C)cc(C)cc3 -MOL_01_024323,NCC(N)CCC1c(cccc2N)c2C(N)c(c13)c(N)ccc3 -MOL_01_024324,Fc1ccc(cc1C)C(O)N2CCC(CC2)n3cc(nn3)CCN -MOL_01_024325,CC(=N)NC1CC(=N)N(C1=N)CCN2CCN(CC2)c3ccccc3CN -MOL_01_024326,c1ccccc1C(C)(C2CCCC2)C(N)NC3CCN(CC3)Cc4ccccc4 -MOL_01_024327,c1ccccc1CC(C(C)=N)NC(N)CCCNC(=N)NC2CCCCC2 -MOL_01_024328,Cc1cc(F)c(CN)cc1-n2nc(C)c(C)c2C -MOL_01_024329,CCCc1ncnc(c12)CCN(CC2)C(O)c3cnccn3 -MOL_01_024330,Cc1ccc(cc1)N(CCCN)C(=O)CCC(=O)c2ccccn2 -MOL_01_024331,NCc1cc(C(C)C)c(cc1NC)Cc2cnc(N)nc2N -MOL_01_024332,CC(C)C(=O)NCc1ccc(cc1F)-c2cccc(F)c2C(=O)CN -MOL_01_024333,NCc1cccc(c1)CN(C2)CCC(C23)CN(CCC3)c4ncccn4 -MOL_01_024334,CC(C)(C)c1ccc(cc1)NC(=O)C(C)CC(=O)c2ccccn2 -MOL_01_024335,NCc1ccc(cc1)CCNC(=N)CCc2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_024336,CCc1ccccc1CCC(N)Nc2ccccc2C(N)N3CCCC3 -MOL_01_024337,NNc(c1)ccc(c12)CCN(CC2C)Cc3ccc(cc3F)-c4ccccc4 -MOL_01_024338,Cn1cc(cn1)C(CC2)CC23CCN(CC3)C(=N)c4ccccn4 -MOL_01_024339,CN1C(N)=NC(=CC1=C)C2CC2c3cccc(c3)CCc4ccc(C)cc4 -MOL_01_024340,CNc1cccc(c1)C(N)C2N=CCc(c23)cc(NC)c(c3)NC -MOL_01_024341,C1CCCCC1N(C)C(=O)CCCCc(c2)ccc(c23)[nH]c(=O)cc3 -MOL_01_024342,Cc1cc(C)n(n1)-c2ccc(cc2)C(=N)CCC(=N)Nc3ccccc3F -MOL_01_024343,OC1NC(O)NC(O)C1(CCOCC)Oc2ccc(cc2)Oc3ccccc3C -MOL_01_024344,CCC(C)N(C1)CCCc(c12)c(CN)cc(c2)-c3cccc(c3)CN -MOL_01_024345,Cc1ccnc(c1)NC(N)CNC(N)Cc2cccc(c23)cccc3 -MOL_01_024346,Clc1ccc(cc1)C(C(C)C)C(=O)NC2=NCC=C2 -MOL_01_024347,Cc1cccc(C)c1N(C2O)C(O)c(c23)ccc(c3)N -MOL_01_024348,c1cccc(c12)c(nnc2C)Cc3cccc(c3)C(N)N4CCCN(CC4)CC5CC5 -MOL_01_024349,Cc1cccc(C)c1OC2CN(C2)C(O)C3CCN(CC3)C(O)N(C)C -MOL_01_024350,c1cc(Cl)cc(c12)cc(O)n2CC(O)c3ccccc3 -MOL_01_024351,CCOc1cc(ccn1)/C=C/c2ccc(cc2)C(C)NC(=O)C -MOL_01_024352,Cc1ncc(cc1)C(=C)N2CCC(CC2)Nc3cccnn3 -MOL_01_024353,CCCC(O)CN(C1O)CC=Nc(c12)c(C)ccc2 -MOL_01_024354,C1CCCCC1NC(=C)CCc(c(N)c2)nc(c23)cccc3 -MOL_01_024355,Clc1cnc(cn1)NC(=NC2)CC23C4CCN(C3)CC4 -MOL_01_024356,c1nnnn1C2(CCCCC2)C(O)NCCc3ccccn3 -MOL_01_024357,CNc1ccccc1C(N2CCCC2N)c3c(N)ccc(c34)cccc4 -MOL_01_024358,CC(=O)Cc1ccccc1C(=O)NCCCCC(N)C(=O)C -MOL_01_024359,CCOC(=O)/C(C)=C/c1cccc(c1)C2(C)CCCC(=N2)N -MOL_01_024360,COc1ccc(cc1)-n2ccnc2CCC(=O)NC3CCCC3 -MOL_01_024361,Cc1ccc(CN)c(c1)CC(C)NC2(CN)CCCCC2 -MOL_01_024362,NCc1cc(ccc1)CN(C)C(=N)CC2C(=N)NCCN2C(C3)Cc(c34)cccc4 -MOL_01_024363,CCCC(=N)CC(=N)NCC(O)c1cccc(c1)CCc(n2)ccc(c23)cccc3 -MOL_01_024364,C1CCCCN1CCCCC(=N)c2cc(Cl)c(N)cc2CCc3ccc(CN)c(c3)CN -MOL_01_024365,Cc1cccc(c1)-c2ccc(cc2)NC(N)C3CCN(CC3)Cc4c(C)cccc4CN -MOL_01_024366,Nc1nc(ccc1)NC(C)c2ccc(cn2)-c3ccccc3 -MOL_01_024367,COc1cc(cc(c1)OC)CC2C(O)=Nc(c23)cccc3 -MOL_01_024368,Cc1ccc(cc1C(C)(C)C)CNC(=O)C2CNC(=O)N2C -MOL_01_024369,CC(C)(C)n1ncc(c1CC)C(O)N2CCN(CC2)CC(N)O -MOL_01_024370,CCc1cc(NC)c(c(c1)NC)C(=O)N2CCCCC2 -MOL_01_024371,CNCc1cc(Cl)c(c(Cl)c1)C(O)Nc2ccnc(c2)NC(O)C3CC3 -MOL_01_024372,C=C(N)c1ccc(cc1)-c2cccc(c2)CN(C)C(=C)CN -MOL_01_024373,N12CCN(C(CC1)CC2)C(N)Cc3ccc(cc3)-c4cccnc4 -MOL_01_024374,NCc(c1)c(CN)cc(c12)C(=NN=C(C)C2CC)c3ccc(CN)c(c3)CN -MOL_01_024375,CNC(N)c1cc(ccn1)Nc2ccc(cc2)NC(N)c3cc(C(F)(F)F)ccc3F -MOL_01_024376,NCc1cccc(c1)-c2cccc(c2)Nc3nc(c(F)cc3F)Nc4cccc(c4)C(N)N -MOL_01_024377,CCCC(=N)c1ccc(NC2CCCCC2)c(c1)NCc3cccc(c3)CN -MOL_01_024378,Nc1nn(CN)cc1CN2CC(CCC)N(CC2)CCc3ccccc3 -MOL_01_024379,NCCN(C1=C)C(=C)N(CCN)C(=C)C1(c2ccccc2)c3ccccc3 -MOL_01_024380,O=c1nc(N(C)C)nc(n12)CCC2CN -MOL_01_024381,NCc1cccc(N)c1NC(=N)CN2CCC(CC2)c3ccccn3 -MOL_01_024382,Cc1cccnc1NC(=O)Nc2ccccc2C(=O)CN -MOL_01_024383,NCCCNC(=C)CC(CC1)CCC1(c2ccccc2)CNC(=C)c3ccccc3CN -MOL_01_024384,NCCc1ccc(cc1)C(=N)NCCCCN2CCCN(CC2)c3ccccc3CN -MOL_01_024385,CCCc1ccc(cc1)N2CCCN=C2NC(=N)c3ccc(Cl)cc3 -MOL_01_024386,Fc1ccc(cc1)C2(CCC(N)C(N)N)c(cccc3)c3c(c24)cccc4 -MOL_01_024387,C1CC1C(=N)N2CCC(CC2)C(=N)Nc3ccc(cn3)-c4ccccc4 -MOL_01_024388,NNc1c(C)n(nc1C)CCCC(O)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_024389,CCN(CC)CCCNC(N)c1ccc(C)c(c1)NC(N)C2=C(C)CCC=C2 -MOL_01_024390,CN1CCCC1CCc2cncc(c2)/C=C/C(C)(N)N -MOL_01_024391,CNc1ccc(c(c1)CCCN)NC(N)c2ccccc2NC(C)N -MOL_01_024392,c1ccccc1C(C(F)C(N)N)c2ccccc2 -MOL_01_024393,c1cc(C)cc(c12)c(cc(c2)C)C(=N)NC(C(=N)NCCN)Cc3cccc(Cl)c3 -MOL_01_024394,C=C1N(C)CCCC12CCN(C2)Cc3ccc(CN)c(C)c3CN -MOL_01_024395,NCc(c1)c(CN)cc(c12)CCN(C2)C(=C)CCCc3ccccc3C -MOL_01_024396,CCCCCCCc1ccc(c(Cl)c1)C(N)CCN2CCNC(N)C2 -MOL_01_024397,Cn1cncc1C(O)N(CCO2)CC23COCCN(C3)CC4CC4 -MOL_01_024398,C1CCCCN1C(C(C)(C)C)(C(=O)CCC)NC(=O)c2ccccc2 -MOL_01_024399,CC(O)c1ccccc1NC(O)C(C)(C)C(C)(C)C -MOL_01_024400,Cc1cc(ccc1)NC(=C)NC(N)Nc(n2)nc(C)c(c23)cccc3 -MOL_01_024401,CN(C)CCNC(=C)c1nc(cn1C)NC(=C)c2nc(NC(=C)C(Cl)Cl)cn2C -MOL_01_024402,c1cnccc1CN(CCCN)C(N)C(C2)CCc(c23)cccc3 -MOL_01_024403,CC(C)NCc1cc(ccc1CN)-c2cccc(c2)NC(N)c3ccc(Cl)cc3 -MOL_01_024404,Cn1cccc1C(=C)CCc2nc(N)nc(n2)Nc3ccccc3CC -MOL_01_024405,CCC(C)c1cn(nc1N)C(C)c2ccccc2C -MOL_01_024406,CC(C)(C)CCc1ncccc1CNC(=O)N2CCC(C2)C(=O)N -MOL_01_024407,Fc1ccc(cc1)NC(=N)C2CCC(CC2)N(C3=N)C(=N)c(c34)cccc4 -MOL_01_024408,CCOc1ccc(C(C)O)cc1NC(O)c2ccccc2C(O)O -MOL_01_024409,NCCCCC1CNC(=N)C(=N)N1CCc2cccc(c23)cccc3 -MOL_01_024410,c1ccccc1CCC(=N)c2ccc(cc2)-c3ccc(N)c(c3)NC(=N)c4cccnc4 -MOL_01_024411,NCc(c1)c(CN)cc(c12)nc(NCC)c(n2)NCCCN3CCCC3 -MOL_01_024412,Cc1cc(C)c(cc1C)C(=O)CCC(=O)CCCNC(=O)N -MOL_01_024413,CC1(C)OC(O)C(C(O1)O)Cc(c2)ccc(c23)OCO3 -MOL_01_024414,COc1c(OC)cc(cc1OC)C(O)NCC(O)N2CC=C(CC2)c3ccccc3 -MOL_01_024415,CCc1ccc(CC)c(c1)C2C(CN)=C(N)Cc(c23)cc(C)cc3 -MOL_01_024416,Cc1cccc(c1)N(CC2=NC(=O)N=N2)CC(=O)N3CCCCC3 -MOL_01_024417,Cc1cc(no1)-c2nnc(o2)CCc3ccccn3 -MOL_01_024418,CCNc1ccccc1C(N)Nc(c2)ccc(c23)ccc(n3)N -MOL_01_024419,COc1cccc(c1)-n2nnnc2CCC(=O)Nc3ccc(C(=O)C)cc3 -MOL_01_024420,C=Cc1cc(C)c(c(c1)CC)C(C2O)C(O)N(N23)CCCCC3 -MOL_01_024421,c1cccc(c12)C=C(NO)C(C2)Nc3cccc(c3)NO -MOL_01_024422,CNc1ccc(cc1NC)CCN(C)C(CC2)CCC2(CN)c3ccc(NC)c(c3)NC -MOL_01_024423,NC(N)c1cc(ccc1)NC(N)CCc2ccc(cc2)C34CC5CC(C3)CC(C5)C4 -MOL_01_024424,CCN(CC)c1cc(ncn1)NC(O)c2ccccc2C -MOL_01_024425,CNc1cc(C(=O)C)ccc1NCC(C2)CCc(c23)cccc3 -MOL_01_024426,CCc1ccccc1C(C)c2c(C)nn(C)c2N -MOL_01_024427,Cc1cccc(C)c1Cc2nc(N(C)CCN)nc(O)c2N -MOL_01_024428,Cn1nc(C(C)(C)C)cc1NC(O)N2CCCN(CC2)C(O)C3CCCCC3 -MOL_01_024429,CCc1ccc(F)cc1C(N)N(CC2)CCC23CCC(N)N(C3)C(C)C -MOL_01_024430,NCc1ccc(cc1)CNC(=N)C(C(C)C)c2ccc(cc2)-c3ccccc3 -MOL_01_024431,NCc1ccccc1C(=N)N2CCN(CC2)c3cccc(C(F)(F)F)c3 -MOL_01_024432,Nc1cc(Cl)ccc1C(=C)NC2(C(=C)NCCN)CCCCC2 -MOL_01_024433,CC(C)(C)CNC(=N)C1(C)CCN1C(=N)Cc2ccc(C(C)(C)C)cc2 -MOL_01_024434,FC(F)(F)c1cc(ccc1)NC(N)c2ccc(C)c(c2)/C=C/c3ccc(N)nc3 -MOL_01_024435,CC(C)CCNC(=O)c1cccnc1Cc2cccnc2 -MOL_01_024436,CN(C)C(N)c1ccc(N)c(c1)NC(N)COc2ccc(cc2)C34CC5CC(C3)CC(C5)C4 -MOL_01_024437,c1ccccc1C(C)(c2ccccc2)C(N)N3CCN(CC3)C(CN)c4cccnc4 -MOL_01_024438,NCc1ccc(cc1)/C=C/C(=N)NCCCCN2CCN(CC2)c3ccccc3CN -MOL_01_024439,CCc1ccccc1NC(=O)CCC(=O)c2cnc(C)cn2 -MOL_01_024440,Cc1ccc(cc1)CC(=O)Nc2ccc(cc2N)NCc3ccc(F)cc3 -MOL_01_024441,c1cncn1CC(c2ccccc2)CC(N)c3ccc(cc3)-c4ccccc4 -MOL_01_024442,CC(C)(C)C1(C(C)(C)C)NC(C(O1)(C(C)(C)C)C(C)(C)C)C(O)NCC(O)O -MOL_01_024443,Cn1cc(cn1)CN(C)C(N)c2ccc(cc2)CC3CCN(CC3)CCc4ccccc4 -MOL_01_024444,Clc1cc(ccc1)C(C)NCc2cc(CN)c(CN)c(c2)CN -MOL_01_024445,c1ccccc1C(N)n2cncc2C(=O)CCCC3(N)NN3 -MOL_01_024446,NCCCN(C(C)C)C(=C)CC1N(CCNC1=C)Cc2ccc(cc2)-c3ccccc3 -MOL_01_024447,Cc1ccc(cc1)CNC(O)Cn(c2O)ccc(c23)cnc3 -MOL_01_024448,C1CCc(n12)nnc2NC(O)NCc3ccccc3 -MOL_01_024449,NCC(=C)CCC(=C)CNC(=C)C(NC(=C)C)Cc1ccccc1 -MOL_01_024450,CCc1cccc(c1)CN2CCNC(=N)C2CC(=N)N(C)CCc3ccccn3 -MOL_01_024451,NCc1ccc(cc1CN)C(=C)Nc2cccc(c2)CN3CCC(CC3)C(=C)NC4CCCCC4 -MOL_01_024452,c1ccccc1CC2(C(=N)CCC)CCN(CC2)Cc3cn(CCC)nc3C -MOL_01_024453,Nc1cccc(n1)NC2=NC(=O)C(C2)Cc3ccccc3 -MOL_01_024454,NCc1ccc(Cl)cc1NCC(O)N(C2CC2)Cc3cccnc3 -MOL_01_024455,C=C(C)CC(C(=C)N)NC(=C)C(NC(=C)NC)Cc1ccc(C)cc1 -MOL_01_024456,CNc1ccc(cc1)NCC(N)N2CCN(CC2)C(N)c3cccc(NC)c3NC -MOL_01_024457,CC(C)(C)CC(N)NC(C(N)N)c1ccc(cc1)-c2cccc(C(F)(F)F)c2 -MOL_01_024458,c1cccc(c12)ccc(c2)C(=N)NCCCCN3CCN(CC3)c4ccc(F)cc4 -MOL_01_024459,N12CCN(C(CC1)CC2)C(N)c(c3)ccc(c34)nccc4 -MOL_01_024460,NOc1ccc(Cl)cc1NC(O)N2CCN(C(O)C2)c3ccccc3Cl -MOL_01_024461,NCCc1ncn(c1C(O)CN)C2CCCCC2 -MOL_01_024462,C=C(C)C(N)CC(=C)c1cc(C)ccc1N -MOL_01_024463,OC(O)CN1C(O)/C(CC1=C)=C/c2ccc(cc2)/C=C/C(O)c3ccc(Cl)cc3Cl -MOL_01_024464,CC(N)CC(=O)N(CC(C)C)Cc(c1)ccc(c12)CCCCC2 -MOL_01_024465,CNc1ccc(cc1NC)CCNC(N)CC(c2ccccc2)c3cc(C)ccc3N -MOL_01_024466,Oc1n(C)nc(N)c(c12)ccc2N -MOL_01_024467,CCCCC(CC)CNC(=O)CCCN(C1=O)C(=O)N=C(C1=2)C=CC2 -MOL_01_024468,Cc1ccc(c(n1)O)C(O)NCC(C)Cn2ccnc2C -MOL_01_024469,O=C1NC(=O)CC1Cc2cc(OC)c(cc2)OCC(=O)N3CCOCC3 -MOL_01_024470,OC(O)CCCNC(O)c1ccccc1NC(O)c2cccc(c2)-c3ccccc3 -MOL_01_024471,CCC(N)c1c(F)cccc1-c2ccc(c(F)c2)CNC(N)C(C)(C)C -MOL_01_024472,Cc1cc(CN)cc(C)c1Oc2ccnc(n2)CCC(=O)Nc3ccccc3 -MOL_01_024473,CC(=N)c(c1)ccc(C2)c1N(c(c23)cccc3)C(=N)Nc4ccccc4 -MOL_01_024474,Nc1ccc(CN)cc1CN2CC(CCN)N(CC2)CCCc3ccccc3 -MOL_01_024475,CC(=N)Nc1ccccc1CC(C)C(=N)NC(C)c2ccc(F)cc2 -MOL_01_024476,Cc1ccn(n1)CCNC(O)c2ccc(cc2)NC(O)N(C3)Cc(c34)ccc(F)c4 -MOL_01_024477,CCc1cc(CC)cc(c1)CN2CCC(NC(C2=N)CCCN)CNC(=N)c(c3)ccc(c34)cccc4 -MOL_01_024478,CCCC(=N)C1(CC2CC2)CCN(CC1)Cc3cnc(nc3)-c4ccc(CN)cc4 -MOL_01_024479,c1ccccc1CNC(=O)N2CCN(CC2)C(=C)CCc3cn(nn3)Cc4ccccc4F -MOL_01_024480,NCc1c(CN)c(CN)cc(c12)cc(cc2C)-c3ccc(cc3)CC(C)N(C(C)C)C(C)C -MOL_01_024481,Clc1ccc(cc1)CC(C)(C)C(=O)NC2CCCC(CN)CCC2 -MOL_01_024482,NCc1ccc(cc1)CCc2nc(C(Cl)(Cl)Cl)nc(c23)cccc3 -MOL_01_024483,Cc1ccccc1NC(=O)CCc2nnnn2-c3ccc(C(=O)N)cc3 -MOL_01_024484,c1ccccc1C(C)(C2CCCC2)C(N)N3CCC(CC3)CCN -MOL_01_024485,CC(=O)C(C=1N)=CC(C12)=NC=C2CCCN3CCCCC3 -MOL_01_024486,Nc1cc(ccc1)C2CCC(=N)N2Cc3ccccc3 -MOL_01_024487,Cc1cccc(c1)C(O)Nc2cc(F)cc(c23)c(O)cc(c3)C(C)O -MOL_01_024488,CC1CCCC1NC(=N)c(n2)ccc(c23)cc(cc3)Cc4ccc(CN)cc4 -MOL_01_024489,CCCNc1nc(C)nc(C)c1CN -MOL_01_024490,CC(C=1)=CC(C12)=NC(=NC2=O)CNC(C)CCc3ccccc3 -MOL_01_024491,C1CCCCC1CCN(C)C(=N)CC2C(=N)NCCN2Cc3ccc(CN)cc3CN -MOL_01_024492,C=CCN1CC(C(NC)(NC)CCC12)N(C2)Cc3ccc(NC)cc3 -MOL_01_024493,Clc1ccc(cc1)C2CCN(C)CC2C(=N)NCCCCCNC(=N)c3ccccc3 -MOL_01_024494,CCC(CC)N1CCN(CC1)C(N)CCC(N)c2ccc(NC)c(F)c2 -MOL_01_024495,Cc1cccc(c1)C(O)NCc2nnc(C)n2-c3cccc(c3)C(C)(C)C -MOL_01_024496,CCCC(=O)c(c1N)cnc(n12)ncn2 -MOL_01_024497,Oc1cccc(c1)C(=Nc(c23)cccc3)CC(C2)c4ccncc4 -MOL_01_024498,CCCc1cc(ccn1)C(N)N2CC=C(CC2)c3ccc(C)cc3 -MOL_01_024499,Cc1ccc(c(n1)O)C(O)N(C)Cc(c2)ccc(c23)CCCC3 -MOL_01_024500,Cc1ccccc1CCNC(=O)NC(C(=O)CN)CCCN -MOL_01_024501,NCCC1CCCN(C1)c2ccc(Cl)cc2CN -MOL_01_024502,NCC(O)c1ccc(Cl)cc1NC(O)N2CCC(CC2)CN3CCCC3 -MOL_01_024503,c1ccccc1C(NC(C)=N)CC(=N)c2cccc(c23)cccc3 -MOL_01_024504,CC1CCN(CCN1)C(C)(C)c2ccc(cc2)NC(C)NCc3cccnc3 -MOL_01_024505,c1ccccc1C(c2ccccc2)NC(=N)CCC(=N)c3cc(CN)cc(c3)CN -MOL_01_024506,Cc1ccc(c(n1)O)C(O)N(C2CC2)Cc3cccc(F)c3 -MOL_01_024507,CC(N)c1cccc(c1)-c2cccc(c2)-c3cc(N)cc(c3)N4CCCCC4 -MOL_01_024508,CNc1ccc(cc1)Nc2ccccc2NC(N)c3cccc(c3)N(C)C -MOL_01_024509,CNc1cc(C)cc(NC)c1NC(C)C(N)c(c2)ccc(c23)NC(F)(F)N3 -MOL_01_024510,CONC(C(=O)N(C)C)c1ccccc1COc2cc(C)ccc2C -MOL_01_024511,c1ccccc1N(C(O)CC)C2(C(O)OC)CCN(CC2)CCCCCF -MOL_01_024512,CC1(C)CCC(CC1)Cc2cc(N)c(c(n2)N)-c3ccccc3 -MOL_01_024513,Cc1ccc(CCCF)c(c1)C(=N)NCCCCN(C2)CCc(c23)cc(CN)c(c3)CN -MOL_01_024514,Clc1cc(ccc1)C(=N)Nc2ccc(C)c(c2)C(=N)Nc3cccnc3 -MOL_01_024515,NC1CCN=C(C1)C(CN2)NC2(c3ccccc3)c4ccccc4 -MOL_01_024516,C1CC1CCCCCNC(C)Nc2cccnc2N3CCCCC3 -MOL_01_024517,c1ccccc1NC(=N)CCC(=N)c2ccccc2Nc3ccccc3 -MOL_01_024518,CC(C)COC(=O)c1cnc(cn1)Oc(c2)ccc(c23)COC3O -MOL_01_024519,C1CNCCC1CNc2ccc(cc2)C(CC3)CCC34N=NC5(N4)C6CC7CC(C6)CC5C7 -MOL_01_024520,Nc1cccc(c1)-c2cc(-c3ccccc3N)nc(c2)-c4ccccc4N -MOL_01_024521,Cc1ccccc1C(=N)N2CCC(CC2)C(=N)Nc3ccccc3Cl -MOL_01_024522,c1ccccc1/C=C2\CC(=C)N(C2N)c3ccc(cc3)CC(N)N -MOL_01_024523,NCc1c(Cl)c(C)c(cc1)C(O)(C(F)(F)F)/C=C/C2CC2 -MOL_01_024524,CN(C)c1ccccc1C(=C)NCC(CC2)CC23CCN(CC3)Cc4ccccc4CN -MOL_01_024525,Oc1ccc(cc1)CCc2nnc(n23)CCC(=N3)c4ccc(Cl)cc4 -MOL_01_024526,NCCCC(C(=C)C)NC(=C)C(NC1)Cc(c12)cccc2 -MOL_01_024527,Oc1ccc(cc1)N2C(O)/C(CC2=C)=C/C=C/c3ccco3 -MOL_01_024528,c1ccccc1C(CCC(=N)CC)(c2ccccc2)C(C(C)=N)Cc3nc(C)cc(n3)C -MOL_01_024529,CCc1ccc(cc1)NC(=N)C(C)(C2)CC(=N)c(c23)cccc3 -MOL_01_024530,Cc1cccc(c1)Cc2c(c(C)nn2C)NC(=O)C3CCCC3 -MOL_01_024531,c1ccccc1CNc2ccc(C(=N)N)c(c2)NC(CCCN)c3ccccc3 -MOL_01_024532,c1ccccc1C(=N)NC(Cc2ccccc2)C(=N)NCCc3ccccn3 -MOL_01_024533,CCCNc(nc1O)cc(c12)c(NC)cc(c2)NC -MOL_01_024534,NCc(c1)c(C)cc(c12)CN(CC2)CCCCNC(=N)c3ccc(N)cc3 -MOL_01_024535,Cc(c1)ccc(c12)ccc3c2C(C(C)C(C3)(C)C)NNN -MOL_01_024536,CNc(c1C)ncc(c12)cc(N)c(Cl)c2 -MOL_01_024537,CCC1CCN(CC1)C(C)C(CCCNC(N)N)NC(C)(C)c(c2)ccc(c23)CCCC3 -MOL_01_024538,CC(C)(C)C(C)CCn1nnnc1-c2cccnc2 -MOL_01_024539,CNc1ccc(cc1NC)-c2nnn(n2)CC(N)c3ccccc3 -MOL_01_024540,C1COCCN1c2cc(O)nc(n2)CC(O)Nc3ccccc3OCCN4CCCC4 -MOL_01_024541,c1cc(F)cc(c12)n(C)cc2C(c(c3)ccc(c34)CNC4)C(=C)NCc5ccc(C)cc5CN -MOL_01_024542,CCc(n1)ccc(CC2)c1C23c4c(NC3O)cccc4 -MOL_01_024543,CCCCc(c1)ccc(c12)n(C(=O)C)cc2C3=C(C)N=NC3=O -MOL_01_024544,CCc1ncnc(N2CCN(C(=O)C)CC2)c1CCc3ccc(N)nc3 -MOL_01_024545,C1NCc(c12)ccc(c2)CNC(C)N3CCN(CC3)c4ncnc(c45)cc(CN)c(c5)CCCCN -MOL_01_024546,CCc1ncc(cc1CC)-c2cnc(n23)ccc(c3)-c4ccncc4 -MOL_01_024547,O=C1CC(C(=O)N1)Cc(cc2)cc(CC3)c2OC34CCCCC4 -MOL_01_024548,Nc1ncc(c12)n(C3CC3)c4c(c2N)cc(F)c(n4)-c5ccncc5 -MOL_01_024549,CCc1ccccc1N2CCN(CC2)CCn(c3N)c(N)nc(c34)cc5c4CCN(C5)C -MOL_01_024550,c1cccc(N(C2)CC)c1C23CCN(CC3)C(N)Nc4ccc(cn4)-c5ccccc5 -MOL_01_024551,CC(C)(O)CN1CCN(CC1)c2ncnc(CC)c2CCc3ccc(N)nc3 -MOL_01_024552,CCCNCCCc(n(c1N)-c2ccc(CN)cc2)nc(c13)cc4c3CCCC4 -MOL_01_024553,CCc1c(F)cc(cc1)C2C(C(N)CCC)=C(N)Cc(c23)c(N)cc4c3nc5c(n4)cccc5 -MOL_01_024554,Cc1nn(C)c(C)c1CNC(C2)CCc(c23)c4c(c3)ncn(c4N)Cc5ccccc5 -MOL_01_024555,Clc1ccc(cc1)-c2ncc(c23)nc(CC)n(c3N)-c4ccc(cc4)N5CCOCC5N -MOL_01_024556,COc1cccc(c1)Cn(c2N)cnc(c23)cc4c3CCC(C4)NCc5ccc(OC)nc5 -MOL_01_024557,NCc1ccc(cc1)CNC(C2)CCc(c23)c4c(c3)ncn(c4N)Cc5c(CN)ccc(c56)cccc6 -MOL_01_024558,C1CCCCN1c2nc(nc(c2)O)CC(=O)Nc3ccccc3CCCN4CCCC4 -MOL_01_024559,Nc1ncc(cc1)CCc2c(ncnc2CC)N3CCN(CC3)CCN4CCOCC4 -MOL_01_024560,CN(C)C(O)CCc(c1)ccc(c12)Nc3c(C(N2)O)ccc(c3)-c4ccc(N)c(c4)CN -MOL_01_024561,CCN(C1)CCc(c12)cc3c2c(N)n(c(n3)CN)-c4ccccc4 -MOL_01_024562,N=C1N=Cc(c12)n(C3CC3)c4c(c2=N)cc(F)c(c4)-c5cccnc5N -MOL_01_024563,Cc1c(N)c(C)c(C)c(c12)NC(C)(CC2)CCN(C)C -MOL_01_024564,c1cccc(c12)ccc(c2)Cn(cn3)c(N)c(c34)c5c(c4)CC(CC5)NCc6ccccn6 -MOL_01_024565,CN(C1)CCc(c12)c3c(c2)ncn(c3N)CCN4CCN(CC4)c5ccccc5Oc6ccccc6 -MOL_01_024566,c1cccc(c12)c3n(nc2)c(-c4ccccc4)c(c3NC(C)N)-c5ccccc5 -MOL_01_024567,c1cccc(c12)n(CCC(C)C)c(=O)c(c2C)C(N3)=NCc(c34)cc(cc4)C(=O)N(C)C -MOL_01_024568,n1cccc(c12)cccc2Cn(cn3)c(O)c(c34)c5c(c4)CC(CC5)NCc6cncnc6 -MOL_01_024569,Clc1ccc(cc1)-c2ncc(c23)nc(C)n(c3O)-c4ccc(cc4)N5CCOCC5O -MOL_01_024570,NCc1ncc(cc1CN)-c2cnc(n23)ccc(c3)N4C(=O)CCC4Cc5ccccc5 -MOL_01_024571,CC(=N)c(c1=N)cn2c(ccc(c3)N)c3Cc(c2c14)c(c(F)c4)NC5CCCCC5 -MOL_01_024572,c1nc(N(C)C)ncc1-c2nc(O)n(CCC3CCCC3)c(c24)c5c(c4)ncc(c5)-c6cnn(C)c6 -MOL_01_024573,C1CCn(c12)c(N)c3c(n2)cc(c3C)C(N)Cc4ccccc4F -MOL_01_024574,C1CCC(CC)CC1n2c(O)nc(-c(cn3)cn3C)c(c24)cc5c4cc(c(c5)CN)-c6cnn(C)c6 -MOL_01_024575,Cc1cccn(c12)cc(n2)-c3cccc(c3)CC(=O)c4cc(CN)c(CN)c(c4)CN -MOL_01_024576,COc(c1)ccc(c12)N=C3C2=C(CN)C(=NC3=O)c4cccnc4 -MOL_01_024577,CNc1cccc(c1)Cn(c2N)cnc(c23)cc4c3CCC(C4)NCc5cncnc5 -MOL_01_024578,CN(C1)CCc(c12)c3c(c2)ncn(c3N)CCN4CCN(CC4)c5ccccc5CN -MOL_01_024579,Nc1nc(N)nc(c12)ccc(c2)CCC(=C)N3CCN(CC3)c4ccc(O)cc4 -MOL_01_024580,Cn1cc(cn1)-c(c2)cnc(c23)cc4c3n(CCC5CCCC5)c(N)nc4-c6ccncc6 -MOL_01_024581,CCCC1=CC(=N)N=c(c12)cc(C)c=3c2N=CC3c4cccc(c4)NN -MOL_01_024582,NC1(N)C(=N)C(N)(N)Nc(c12)ccc3c2C(c4ccc(Cl)cc4)Cc5c3cccc5 -MOL_01_024583,c1ccccc1CN2CCN(CC2)Cc3cnc(n34)ccc(n4)-c5cccnc5 -MOL_01_024584,c1ccccc1N2CCN(CC2)C(=O)C(N)Cc3ccc(cc3)OCc4cccnc4 -MOL_01_024585,C1CCCn(c12)c(N)c3c(n2)cc(c3C)C(N)NCCc4ccc(CN)c(c4)CN -MOL_01_024586,Cc1cc(ccc1)-c2nnc(n2-c3ccc(C)cc3)CCC(=O)N4CC(=O)Nc(c45)cccc5 -MOL_01_024587,c1cccc2c1nc(c23)c(C)n(-c4ccccc4CN)c(n3)CCC(O)NCC5CCCC5 -MOL_01_024588,CCc1cc(ccn1)-c(c(F)c2)cc(c23)n(C4CC4)c5c(c3=N)C(=N)N=C5 -MOL_01_024589,FC(F)(F)c1cncc(c1)-c(n2)ccc(n23)ncc3CNCC4CCCC4 -MOL_01_024590,Cc1ccccc1-n(c2O)nnc(c23)c4c(c3)nc(C)c(c4)C(C)O -MOL_01_024591,c1cccnc1CC(=O)C(=C2O)C(C)Cc(c23)c4c(n3C)cccc4 -MOL_01_024592,Cc(c1)ccn(c12)cc(n2)-c3cccc(c3)CC(N)c4cc(ON)cc(c4)ON -MOL_01_024593,c1cccc(c12)c3c(n2C)c(=N)n(CC(C)C)cc3C(=N)NCCCON -MOL_01_024594,CCC(C)NC(N)CCCc1nnc(n12)n(CCC(C)C)c(N)c3c2ccc3 -MOL_01_024595,Clc1ccc(cc1)C(CC(N)(N)N)c2ccc(cc2)-c3ccncc3 -MOL_01_024596,CCc1cccc(c12)C3C(CC2)CN(C3)CCN(C4=O)C(=O)N=C(C4=5)c6c(C5)cc(cc6)C(=O)N -MOL_01_024597,C1CCCC(=N2)C1=c(c23)cc4c(c3C)=NC(=N)C(=C4C)CCC(=N)NCCCCCC(=N)N -MOL_01_024598,CNC(NC)N(C1F)C(F)c(c12)c3c(cc4c(c3)cccc4)c5c2c6c(n5)ccn(c6)C -MOL_01_024599,c1cocc1C(O)N(CC2)CCC23c4c(cccc4)N(C3O)CC5CC5 -MOL_01_024600,Cc1nc(C)c(o1)Cn2cc(c(c23)cccc3)C4=CCCNC4 -MOL_01_024601,Cc(n1)cc(C)c(c12)c3c(c2)c(O)n(c(n3)O)-c4ccccc4 -MOL_01_024602,C1CCCn(c12)c(N)c3c(n2)cc(c3C)C(N)NCc4ccccc4Cl -MOL_01_024603,CCc(c1N)nc(c2c13)OC(C)(C)n2cn3 -MOL_01_024604,C1N=CN(C12)C(=C(Cl)N2)Cc3cn(c(c34)nccc4)C5CCCNC5 -MOL_01_024605,c1ccc(c12)c(O)n(C(C)CC)c3n2c(nn3)CCCC(O)Nc4ccc(F)cc4 -MOL_01_024606,CNC(=N)CCCC(N(C=1)C2CC2)=CC(C13)=C(c4ccccc4)C(=N)C(C)(C3=N)NC(=N)C5CCCC5 -MOL_01_024607,CCCC(O)Cn(c1O)c(C)nc(c12)c(cc2C)C(O)CCC -MOL_01_024608,COc1cccc(c1)C2CC(O)Cc(c23)c4c(n(C)c3O)ncc4 -MOL_01_024609,CCc1cc(OC)cc(c12)nc(cc2O)-c3cccnc3N4CCN(CC4)C5CCN(C)CC5 -MOL_01_024610,C1CCc(c12)c(N)c3c(n2)CC(C)=C(C(=N)CCC)C3c4ccc(CN)c(c4)CN -MOL_01_024611,Cc1ccc(cc1)Nc(n2C)nc(c23)cc(cc3)Cc4ncnc(c45)n(nc5)C(C)C -MOL_01_024612,CCC1CC(=O)N(C12)c3c(CC2)cc(cc3)-c4ccc(nc4)N5CCN(C5=O)C(=O)C -MOL_01_024613,NCc1ccc(cn1)NC(O)C(O)c2cn(c(c23)cccc3)C4CCCC4 -MOL_01_024614,c1ccccc1-n(c2=O)c(=C)nc(c2=3)N(C(=O)C3)c4ccccc4C -MOL_01_024615,Fc1cc(F)ccc1C23C(CCC(C)=C2)NN(ON3)c4cc(F)cc(c4)ON -MOL_01_024616,Cc1cccc(n1)-n2nc(-c3ccc(CN)cc3)cc2C(C=C4)=CN(N45)CNC5 -MOL_01_024617,CCCc1ccc(cc1)-n(c2N)c(CCCN)nc(c23)cc4c3cccc4 -MOL_01_024618,NCc1c(F)c(ccc1)-c2c(C)n(c(=N)n(c2=N)CC(N)C(C)C)Cc3c(F)cccc3F -MOL_01_024619,n1cnn2c1Cc(nnnn3)c3C24C5CC6CC(C5)CC4C6 -MOL_01_024620,CCc(c1C)c(C)cc(c12)c3c(n2)c4c(cc3F)c(N)c(C(C)N)cn4C5CC5 -MOL_01_024621,CC(C)CCn(c1N)cnc(c12)c3c(c2)nc4c(c3)CCCC4 -MOL_01_024622,CC(C)C1CC(C1)c(c2)c(C)cc(c23)c(N)c4c(n3C5CC5)cnc4N -MOL_01_024623,Cc1cc(ccc1)C2(CC)C(=N)N(C(=N)N2C)c3ccc(CN)c(C(F)(F)F)c3 -MOL_01_024624,Nc1c(C)c(N)c(C)c(C2)c1C(C(C=23)=C(O)CCC3)c4ccccc4OC(F)F -MOL_01_024625,CNC(O)c1cc(ccc1F)NC(C)(C)C(O)NC(C=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=N4 -MOL_01_024626,NCCCCc(c1)c(CC(C)(C)C)cn(c12)c(cn2)-c3cc(N)nc(Cl)c3 -MOL_01_024627,Cc1ccc(cc1N)-c(c(C)c2)cc(c23)n(C4CC4)c5c(c3O)c(O)nc5 -MOL_01_024628,Cc1cc(C)c(cc1C)Cc2ncnc(c23)n(nc3)C4CCN(CC4)N(O)CC(C)(C)C -MOL_01_024629,COc1ccc(C)cc1NC(N)c(c2C)cc(c23)ncn(c3N)CC(N)N4CCCCC4 -MOL_01_024630,Cc1ccccc1-c(n2)cn(c23)ccc(c3)NC(O)c4ccccc4C -MOL_01_024631,CCCCn(c1=O)c(C)cc(c12)CC(C)=C(CN)C2c3ccccc3F -MOL_01_024632,NC1CCN(CC1)c2cc(OC)c(cc2)-c(n3)nc(c34)c(C)nn(c4O)C5CCCCC5 -MOL_01_024633,CNCCNc1ncnc(c12)cc3c2ncn(c3O)-c4ccc(CN)cc4 -MOL_01_024634,CC1CCCN(C1)C(=N)Cn2c(cccc3)c3c(c24)nc5n(c4=N)CCC5 -MOL_01_024635,CNC(=O)Nc1cc(ccc1Cl)NC(C)(C)C(=O)NC(C=2)=Nc(c23)c(C(C)(C)C)cc4c3=CN=N4 -MOL_01_024636,NCCc1ccc(cc1)-n(c2N)c(CCCN)nc(c23)cc4c3cccc4 -MOL_01_024637,CCCC(=O)C1=C(C)NC(=O)NC1C(C2=O)=CC=c(c23)c=4c(cc3)C=CC4 -MOL_01_024638,C1CCn(c12)c(N)c3c(n2)cc(c3N)C(N)CCCc4ccc(Cl)cc4 -MOL_01_024639,CC(C)(O)CN1CCN(CC1)c2ncnc(C)c2CCc3ccc(N)nc3 -MOL_01_024640,CC(C)(C)CC(=N)N(C1CN)c(cccc2)c2C13CN=C(C3)Nc4ccc(C(F)(F)F)cc4 -MOL_01_024641,C1CCCCN1c2cc(O)nc(n2)C(F)(F)C(O)Nc3ccc(F)cc3 -MOL_01_024642,CCC1CC(=O)N(C12)c3c(CC2)cc(cc3)-c4ccc(nc4)N5CCN(C)C5=O -MOL_01_024643,Cc1ccc(C)c(c1C)Nc2ncnc(c23)cc(c(c3)CN)CNCCN4CCCCC4 -MOL_01_024644,c1ccc(ON)c(c12)nc(CC)c3c2C(CN3)c4ccccc4N -MOL_01_024645,c1cccc(n2)c1c(c(c23)CCCC3)C(N)CCC(N)N4CCc(c45)cccc5 -MOL_01_024646,c1ccccc1Cn(cn2)c(N)c(c23)c4c(c3)CC(CC4)NCCc5ccncc5 -MOL_01_024647,O=C(N1)COc(c12)ccc(c2)-c(nn(c34)cnn4)c(c3)-c5ccccc5F -MOL_01_024648,NCc1ccc(cc1CN)-c2nnc(C)n2-c3ccccc3N -MOL_01_024649,Cc1ccc(cc1)-n(c2N)cnc(c23)c4c(c3)ncnc4N(C)C -MOL_01_024650,CNCN(F)c(c1NCN)ncc(c12)nc3c2cn(cc3)CNc4ccccc4 -MOL_01_024651,Cc1ccc(cc1CN)-c(c2)ccc(c23)C(O)Nc4c(N3)c(C)ccc4 -MOL_01_024652,CCC(C)NC(O)c(c1C)cc(c12)nc3n(c2O)CCC3 -MOL_01_024653,c1ccc(c12)c(O)n(C)c3n2c(nn3)CCCC(O)NCCc4ccc(CN)cc4 -MOL_01_024654,CC(=O)C(C(=O)C)c1c(CN)c(C)n(-c2ccccc2)c1C(=O)c3ccccc3 -MOL_01_024655,c1cccc(c12)nc(C)c(C(C(=N)N)NC(C)(C)C)c2-c(c3)ccc(c34)NCCC4 -MOL_01_024656,CC(=O)Nc1cc(ccc1Cl)NC(C)(C)C(=O)NC(C=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=N4 -MOL_01_024657,Cn1nc(C)c(c12)c(N)nc(n2)-c3cc(ccc3CCCC)NC(N)Nc4ccc(F)cc4 -MOL_01_024658,Cc1cccc(c1)C(O)Nc(c2)ccn(c23)cc(n3)-c4ccncc4 -MOL_01_024659,Cc(n1)cc(c12)nc(n(c2O)CC)CCC(O)N3CCOCC3 -MOL_01_024660,CCc(c1)ccc(c12)CN(C2=O)CC3(NC(=O)NC3=O)CCc(c4)cnc(c4=5)=NC(=O)C5 -MOL_01_024661,COc1ccc(cc1)-n(c2O)cnc(c23)c4c(c3)ncnc4NCC(C)(C)C -MOL_01_024662,Cc1ccc(c12)c(N)n(c(n2)N(CC3N)CCC3)Cc4ccccc4CN -MOL_01_024663,Cc1cccc(c1)-c2ccc(c23)nc(N)n(c3N)CCN4CCN(CC4)c5ccccc5CN -MOL_01_024664,COc1ccccc1N2CCN(CC2)CCn(c3N)c(N)nc(c34)nc(c4)-c5ccccc5C -MOL_01_024665,Cc(c1)cc(c12)ncn(c2O)CC(O)N(C3C(C)C)CCn(c34)ccc4 -MOL_01_024666,NCCC(=O)N1CCCC(C1)N2C(=O)N=c(c23)cnc=4c3C=CN4 -MOL_01_024667,NC1CCN(CC1)c2cc(OC)c(cc2)-c(n3)nc(c34)c(C)nn(c4O)Cc5ccccc5 -MOL_01_024668,C1CC1CN(C2=O)C(=O)N=C(C2=3)N=C(N3)c4cnn(c4)Cc5cc(on5)-c6ccc(C(F)(F)F)cc6 -MOL_01_024669,CCCN1CCC(CC1)c(c(F)c2)cc(c23)CCC4N3C(=O)CC4CNC(=O)C -MOL_01_024670,c1ccc(c12)c(O)n(CCC)c3n2c(nn3)CCCC(O)NCCCN -MOL_01_024671,Nc(c1)ccc(c12)NC(=C(C2)C)C3=C(O)C(C(C)(C)C)N(C3O)Cc4ccc(C)cc4 -MOL_01_024672,CC(N)c1c(C)c(CC)c(nc1N)-c(c2)ccc(c23)n(C)c(c3)CNC(C)C -MOL_01_024673,C1CCC1(N)CCc2ccc(cc2CN)-n(c3N)cnc(c34)cc(c4)-c5ccc(Cl)cc5 -MOL_01_024674,CCN1CCCCC(C1)NC(=O)c(c(c2)ON)cc(c23)ncn3C(C)C -MOL_01_024675,CN(C)C(C)c1ccc(cc1)-c2c(O)cc(Cl)c3=NC(=N)C(C4=c23)=CC=C4 -MOL_01_024676,CNC(=O)CCCCc(c(c1)CN)cc(c12)c(ncn2)Nc3ccccc3C -MOL_01_024677,c1c(C)ccc(c12)N3C(N2NCNC)=C(C(O)CC3)C(O)Nc4ccc(C)cc4C -MOL_01_024678,CC(C)CC(=O)CCn(cc1)c(c12)nc(Nc(cc3)ccc3CN)nc2Cc4c(C)cc(CN)cc4C -MOL_01_024679,c1cccc(c12)n(CC)c3c2c4c(cc3)NC(N)CCC4c5ccc(CN)c(c5)CN -MOL_01_024680,Nc1ncc(c12)n(C3CC3)c4c(c2N)cc(F)c(c4)-c5cncnc5 -MOL_01_024681,CCc1cccc(c1)-n(c(c23)ccn3)c(O)c(c2C)C(O)CN -MOL_01_024682,O=C1CCCC(=C12)CC(N)=C(CN)C2c(cc(c34)cc(cc4)CN)c(n3)Cc5ccccc5 -MOL_01_024683,O=C(O)C(C=C1)n(c12)c(=O)cc(c2C(C)C)Cn3cnc(c34)cccc4 -MOL_01_024684,CCCc1ccc(cc1)NC(N)c(c2)cc(c23)nc4n(c3N)cccc4C -MOL_01_024685,c1ccccc1C(=O)C(=N2)C(=C(C2=3)C(=O)N=CN3)c4cc(OC)c(c(c4)N)OC -MOL_01_024686,CCCC(O)c(c1)ccc(n12)nc3c(c2O)cc(c3)C(C)C -MOL_01_024687,Oc1nc(O)n(CC)c(c12)cc(c2N)C(O)c3cc(C)ccc3C -MOL_01_024688,NC(=N1)CCC(F)(F)C12C3(CC3)CCc4c2cc(cc4)-c5cncnc5 -MOL_01_024689,CNc1ccc(cc1CC)-c(c2)ccc(c23)C(N)Nc4c(N3)cccc4 -MOL_01_024690,c1cnccc1C(=N)N2C(C)C(CC(C)=N)c(c23)cc(cc3)CCc4ccccc4 -MOL_01_024691,Cc1ccc(cc1)Cc(c(=N)n2C)cc(c23)cnc(n3)Nc(c4)cnc(c45)NC(C5)=N -MOL_01_024692,Cc1ccc(cc1)NC(=N)c(cc(c23)C(=N)CCC3)c(=N)n2-c4ccc(CN)cc4 -MOL_01_024693,CCNC(=O)c1ncn(-c2cc(C(C)C)c(O)cc2O)c1-c3ccc(cc3)CN4CCNCC4 -MOL_01_024694,CCC(N)c1ccc(cc1)-c2c(O)cc(C)c3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_024695,CCCCc1ccc(cn1)-c(c2)ccc(c23)N4C(CC3)C(CC4=O)CNC(=O)C -MOL_01_024696,c1cccc(c12)n(CCN(C)C)c(=O)c(c2C)C(N3)=NCc(c34)cccc4 -MOL_01_024697,Nc1ncc(c12)n(C3CC3)c4c(c2N)cc(F)c(c4)-c(c5)ccc(c56)cncc6 -MOL_01_024698,CCc1ccc(cc1)-n2cc(N)nc2-c3cccnc3 -MOL_01_024699,NOc1ccc(cc1)-c(n2)cn(c23)cccc3ONc4ccc(Cl)c(Cl)c4 -MOL_01_024700,Cc1ccc(cn1)C(O)N(CC2)CCc(n23)nc4c(c3O)ccc4C -MOL_01_024701,NC(=N1)CCC12C3(CCC3)C(N)(N)Cc4c2cc(cc4)-c5c(F)ccc(F)c5F -MOL_01_024702,CCc(c1)cc(CC)c(c12)c(N)cc(n2)-c3cccnc3N4CCC(C4)N(C)C -MOL_01_024703,c1ccccc1C2=C(CN)C(=C)N(C)C(=N2)N3N=C(c4ccccc4)CC3c5ccccc5 -MOL_01_024704,CC(C)c1ccnc(c12)cc3c2ncn(c3N)C4CCC(N)CC4 -MOL_01_024705,CC(=O)NCC1CC(=O)N(C12)c3c(CC2)cc(cc3)-c4cncc(c4)N5CCCC5=O -MOL_01_024706,ClC1=C(Cl)C=C(C1=2)C=C(N2)C(=O)NC(C(=O)N3CCO)Cc(c34)cccc4 -MOL_01_024707,Cc1cccc(c1)-c(c2)ccc3=CC(=N)C(C4=c23)=NC(=N)N4c5ccccc5 -MOL_01_024708,Fc1cc(ccc1)N(C2=N)C(=N)C(CN3C)C2C34C(=N)c5c(C4=N)cccc5 -MOL_01_024709,n1ncc(c12)c(N)n(CC(F)(F)F)c3c2ccc(c3)-c4cccc(c4)N5CCN(CC5)C6CC6 -MOL_01_024710,CCCCCCC(=O)c(c1=O)c(C)c2cccc(c2n13)NNC3 -MOL_01_024711,CN(C)CCCN(c(c12)cccc2)C(=N)C1(C(=N)CCC)Cc3ccccc3 -MOL_01_024712,Cc1ccc(C)c(c1)C(C2)NN(C(=O)CCN)C23c4c(CNC3)cccc4 -MOL_01_024713,NC1CCCc(c12)nc(C)nc2-c(c(n3)C)cc(c34)cccc4 -MOL_01_024714,CC(=O)NCC1CC(=O)N(C12)c3c(CC2)cc(cc3)-c4ccc(nc4)CCN -MOL_01_024715,c1ccncc1C(=N)NCc(c2=N)c(C(=N)ON)n(c(c23)cc(Cl)cc3)-c4ccccc4 -MOL_01_024716,CC(C)c1ccnc(c12)cc3c2ncn(c3N)C4CCCCCC4 -MOL_01_024717,C1CCCCN1CCCCc(c2)c(CN)cc(c23)ncc(CN)c3NC4CC4c5ccccc5 -MOL_01_024718,NOc1ccccc1-c2c(N)nn(c23)c(cc(n3)N)C4CCCCCC4 -MOL_01_024719,c1cc(N)cc(c12)c(N)c(c(=N)n2CCC(C)C)C(N3)=NCc(c34)cccc4 -MOL_01_024720,Clc1ccc(cc1)Cn(nn2)c(N)c(c23)c4c(c3)CCC(N)(N)C4 -MOL_01_024721,CCCC(O)c1c(C)nc(ccc2)c3c2C(O)c(c4c13)cccc4 -MOL_01_024722,c1ccccc1C(CC)(C2N)Cc(cccn3)c3n(c24)ccc4 -MOL_01_024723,c1ccccc1-c(nc2C)nc(c23)n(c(N)c3N)C(N)c4ccccc4 -MOL_01_024724,CCOc1cncc(c1)-c(c2)ccc(OC3)c2C4(C35CC5)C=C(C)OC4 -MOL_01_024725,c1cccc(c12)nc(N)n2C3CCN(CC3)Cc(c(Cl)c4)cc(c45)NNN5 -MOL_01_024726,c1ccccc1Cn(c2=O)c(=C)nc3C=C(C4=c23)COC(C4)C(C)C -MOL_01_024727,Cc1ccc(cc1)Cc(nc(c23)ccc(c3)C)c(c2)C4C(CN)=C(N)CC(=C45)CCCC5=N -MOL_01_024728,Cc1ccc(C)c(c1)NC(O)N2CCN(CC2)Cc(n3)cc(O)n(c34)nc(c4)-c5ccc(CN)cc5 -MOL_01_024729,c1cccc(c12)C(=N)c3n2cc4c(c3)nc5c4cccc5 -MOL_01_024730,Cc(n1)cc(C)c(c12)c(O)n(c2)CN(C3)CC(C34)Nc5c4cccc5 -MOL_01_024731,NC1CC(C)(C)CC(=C12)CC(N)=C(CN)C2c(cc(c34)cccc4)c(n3)Cc5ccc(F)cc5 -MOL_01_024732,CCCC1=C(C(=O)ON)N=c(c12)c(C)cc=3c2N=NC3 -MOL_01_024733,C1CCCc(c12)ccc(c2)C(N=3)C(=C)C(N(C34)C(C)=C(C4)C(=C)C)c5ccc(CN)c(c5)CN -MOL_01_024734,CCCCc1ccc(cc1)Cc2c(CC)c(C(N)C(N)N)c(n23)c(ccc3)CCC(C)N -MOL_01_024735,N=C(N)C(CC1)n(c12)c(=N)cc(c2NCC(C)C)Cc3cccc(c34)cccc4 -MOL_01_024736,C1CCN(C12C)CC(C)N(C2)C(=N)c3cn(c(c34)c(CN)ccc4)CC5CCCCC5 -MOL_01_024737,N=C1CCCc(c12)cc(cc2C3CCC3)-n4cc(N)c(c45)C(=N)CC(C5)(N)N -MOL_01_024738,CC(=O)NCC1CC(=O)N(C12)c3c(CC2)cc(cc3)-c4ccc(CN)nc4 -MOL_01_024739,CCCCc1c(C(N)OC(C)C)cnc(c12)n(nc2)CC(Cl)c3ccccc3 -MOL_01_024740,CNC1=NC(=N)C(C1)C(C)c2cn(c(c23)cccc3)C(=N)OCC(C)(C)N4CCOCC4 -MOL_01_024741,NC1CCN(CCN1)c2ncnc(C)c2CCc3ccc(N)nc3 -MOL_01_024742,c1cccc(c12)c3c(n2CC(=O)C)NCC(C3)C(=O)n4[nH][nH]4 -MOL_01_024743,Cc1ccc(cc1)-n(c2O)cnc(c23)c4c(c3)nc(O)nc4N -MOL_01_024744,COc1ccc(cc1)-c(c2)cc(c23)ncn(c3N)-c(c4)ccc(c45)nc(cc5)CN6CCOCC6 -MOL_01_024745,C1CCc(c12)ccc(c2)NC(=N)CCc(nc(c34)cccc4)n(c3=N)-c5cccc(c5)ON -MOL_01_024746,CCNc1cc(ccc1Cl)NC(C)(C)C(O)NC(C=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=N4 -MOL_01_024747,Cc(n1)cc(C)c(c12)c(O)n(c2)CC(OC(C)O)CN3CCN(CC3)c4ccccn4 -MOL_01_024748,Cc(n1)nnc(c12)n(c(C)c2C(=C)CC)Cc3nnnnn3 -MOL_01_024749,Cc1ccc(cc1)-n(c2N)cnc(c23)ccc3-c4ccc(CN)c(c4)CN -MOL_01_024750,NCc1ccc(cc1CN)-c(c2)ccc(c23)C(O)Nc4c(N3)cccc4 -MOL_01_024751,Nc(n1)cc(N)c(c12)c3c(c2)c(N)n(cn3)CC(N)c4ccccc4 -MOL_01_024752,CCc1ncnc(N2CCC(ON)CC2)c1CCc3ccc(N)nc3 -MOL_01_024753,CCc1ncnc(N2CCC(=O)CC2)c1CCc3ccc(N)nc3 -MOL_01_024754,Clc1ccc(cc1)-c2c(C(C)=N)c(=N)n(CCN(C)C)nc2-c3ccc(Cl)cc3 -MOL_01_024755,c1ccccc1-c(n(c23)ccc(c3)CN)c(-c4ccccc4)c2NC(N)c5cccc(c5)NN -MOL_01_024756,c1cccc(c12)NC(CC(=N)NC)c3n2cc(n3)-c4ccccc4 -MOL_01_024757,CCc1cccc(c1)NC(N)c(c2)ccc(c23)c(N)n4c(n3)cc(n4)Nc5ccccc5OC -MOL_01_024758,CN1CCN(CC1)c(n2)ncc(c23)c4c(c3)c(N)n(cn4)-c5ccccc5 -MOL_01_024759,NNOC(=O)c(c1)ccc(c12)nc(c3c2CCNN3)-c4cccnc4 -MOL_01_024760,c1ccccc1CCc(c2)ccc(c23)c(cn3C(=N)N(C)C)C(=N)C4CCC(N4)c5cccnc5 -MOL_01_024761,CCc(c1)ccc(c12)nc(O)c(c2)C3C(CN)=C(N)Cc(c34)c5c(cc4)cccn5 -MOL_01_024762,CCc1ncnc(N2CCC(C(C)(C)C)CC2)c1CCc3ccc(N)nc3 -MOL_01_024763,C1CN(C)C(C12N)N(C)c3c2cc(cc3)CC(=N)Nc4cc(N)cc(N)c4 -MOL_01_024764,CCc1ncnc(N2CCC(CC)CC2)c1CCc3ccc(N)nc3 -MOL_01_024765,c1cccc(c12)c(C(=N)O)nn(c2=N)CC(=N)c3cc(C)n(c3C)CCc4ccc(Cl)cc4 -MOL_01_024766,CCN(C1)CCc(c12)cc3c2c(N)n(C)c(n3)C -MOL_01_024767,Cn1c(C)c(C(C)C)c(c12)C(N)C(=CC2N)N3CCCCC3 -MOL_01_024768,CC(C)NC(O)c1nn(c(O)c(c12)c(N)cc2)-c3ccc(cc3)CCC(O)CF -MOL_01_024769,CCOCn1cc(N)c(-c2ccc(F)cc2)c1-c3ccnc(n3)Oc4cccc(c4)N(C)C -MOL_01_024770,c1ccncc1C2NC(CC2)C(=N)c3cn(c(c34)cccc4)Cc5ccccc5 -MOL_01_024771,CCCCN(C)C(O)c(c1C)cc(c12)ncn(c2O)CC(O)N(CC)CC -MOL_01_024772,CCCCCn1cc(c(O)c(c12)c(C)nc2)C(O)NC3CCCCC3 -MOL_01_024773,c1ccccc1C2C(CN)C(Cl)=Cc(n23)nc4c3cccc4 -MOL_01_024774,Cc1ccc(C)c(c1)C(=N)C2=C(N)C(=N)N(C2c3cccnc3)CCCN4CCNCC4 -MOL_01_024775,Clc1ccccc1C(=CN=2)C(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_024776,Fc1ccc(cc1)-c2c(CN)c(C)nc(c23)C4CC(C3)C4(N)N -MOL_01_024777,c1cccnc1-c2nnc(n23)CCC(=N3)c(c4)ccc(c45)OCO5 -MOL_01_024778,Fc1cccc(c12)nc3c(c2C)C4CC(C3)N=C(C4)C(N)N -MOL_01_024779,c1cccnc1CN(C(C)=C2)C(=C)C(=C23)C(C(=C(C3)N)CN)c4ccccc4CC -MOL_01_024780,c1cccc(c12)CCN(C2)C(N)C3CCN(CC3)c4cc(ncn4)Cc5cccc(F)c5 -MOL_01_024781,CC(O)c(c1)ccc(n12)nc3c(c2O)ccc3 -MOL_01_024782,c12n3c(cc1)CCc4c3c(c(O)c2C(O)O)cc(F)c4C5CCCCC5 -MOL_01_024783,NCCc1ccc(cc1)-n2c(N)nc(c23)c(N)cc4c3cc(cc4)-c(c5)cnc(c56)cccc6 -MOL_01_024784,c1cccc(c12)c(N)c(c(=N)n2CCCC)C(=N)NC(CC34)CC(CC3)N4C -MOL_01_024785,O=C1N=CC=c(c12)c=3c(c4c2cc(F)cc4)N=C(N3)c5cccnc5 -MOL_01_024786,CCc1ccc(Cl)cc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)c5c(N4)cccc5 -MOL_01_024787,Fc1cc(ccc1)NC(C)(C)C(=O)NC(C=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=N4 -MOL_01_024788,CCCC(=O)Cn(c1=O)cnc(c12)ccc(c2)-c3cnc(CN)c(c3)NCc4ccc(F)cc4F -MOL_01_024789,Cc1cn(cn1)C(C=2)=CCC(=N)C(C23)CCc4c3cccc4-c5ccc(F)nc5 -MOL_01_024790,CCOC(=N)Cn1c(=N)n(c(c12)nccc2)-c(c3)ccc(c34)ONO4 -MOL_01_024791,n1ncc(c12)c(N)n(CC)c3c2ccc(c3)-c4cccc(c4)N5CCCCC5 -MOL_01_024792,CCc(c1)ccc(c12)c(cn2C(C)C)C(N)C(N)Nc3ccc(CC)nc3 -MOL_01_024793,Cc1ccc(N)n(c12)nc3c2CC(N)(CC3)CC(=N)c4ccc(F)cc4 -MOL_01_024794,c1cccc(c12)CC(C(=O)N2CC(=O)NC)NC(=O)C(N=3)=CC(C34)=CC(Cl)=C4 -MOL_01_024795,Cc1cc(N)cc(c12)ncnc2Nc3ccc(F)cc3CC(C)C(=O)N4CCCCC4 -MOL_01_024796,C1CNCCN1c(cc2C)nc(n23)cc(n3)-c4cc(O)cc(c4)NC(C)CN -MOL_01_024797,Cc1ccc(cn1)Cc2ccc(cc2C)Nc3ncnc(c34)cccc4CCC(=O)N(C)CCO -MOL_01_024798,C1CNCCN1c2cc(OC)c(cc2)C(N=3)=NC(=O)C(C34)=C(N=C4)C5CCCCC5 -MOL_01_024799,CCCCCCN(N(CN)C=C1)c(c12)nc(Cl)c(c2)C(O)NCCc3ccc(F)cc3 -MOL_01_024800,c1cccc(n2)n1c(c23)C(N)C(Cc4ccccc4)CC(=C3)c5ccccc5O -MOL_01_024801,Nc1cccc(N)c1-c(c(=N)n2C)cc(c23)cnc(n3)Nc4ccccc4 -MOL_01_024802,CC(=N)c1ccc(cc1)N2CCN(CC2)Cc3ccc(c4c35)CC(C)CN4C(C5)=N -MOL_01_024803,Clc1cccc(F)c1C(CC2=O)C(CN)=C(N23)CCN(C3)Cc4ccco4 -MOL_01_024804,Cc1ncnc(c1C)N(CC2)CCC2(C(C)N)Cc3ccccc3CN -MOL_01_024805,c1cccc(c12)C(=N)N(C2=N)CCc(nc(c34)cccc4)n(c3=N)-c5ccc(CN)cc5 -MOL_01_024806,c1ccccc1N(C(=N)NC2=N)C23CCN(CC3)Cc4ccc(cc4)-c5cccc(c5)CN -MOL_01_024807,COc1cnc(c(Cl)c1)C(O)Nc2ccc(C)c(c2)C3(C(C)C)COCC(=N3)N -MOL_01_024808,Clc1ccc(cc1)NC(C)(C)C(=O)NC(C=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=N4 -MOL_01_024809,COc1ccc(c(OC)c1OC)CCNC(N)c2cc3cccc(c3n24)CC(C4)C -MOL_01_024810,N1CCNc(cc2)c1c(C(=N)N3)c2C34CCC(CC4)N5CCC(CC5)Cc6ccccc6NN -MOL_01_024811,NCC(=N)C(C)Cc(ncn1)c(c12)c(-c3ccccc3)cn2-c4ccc(cc4)CCC -MOL_01_024812,O=C(C)c(c1=O)cc(C2CC2)c(n13)c(N)c(c(F)c3)C4CCC(C4)CCCCN -MOL_01_024813,c1nnnn1CC(O)(c2c(C)cc(C)cc2)C(C)(C)c3ccc(cn3)OCC(C)(C)C -MOL_01_024814,c1ccccc1C=2C(C)=Cc(c23)nc(=C)n(c3=O)CCCn4cncc4C -MOL_01_024815,C1CC(C)(C)Nc(c12)c(C)c(C)c(N)c2CCc3ccc(N)c(N)c3 -MOL_01_024816,c1ccc(c12)n3c(c2)c(N)n(nc3CC)CC(N)N4CCN(C(C)C4)c5cccc(C)c5 -MOL_01_024817,CC1=NN(CC)C(=C)c(c12)nn(c2C)-c3cccc(c3)NC -MOL_01_024818,Clc(c1)c(Cl)cc(c12)ON=C(C2=C)C3CN(ONC)ON3c4ccccc4 -MOL_01_024819,c1ccccc1C(c2ccccc2)NC(=C)c3cc(n(c34)CNON4)C(=C)N5CCCC5 -MOL_01_024820,CC(C)(C)NCc1ccccc1-c2ccc(c(F)c2)-c(n3)cn(c34)c(N)ccc4 -MOL_01_024821,CCOC(=O)C(N=1)=CC(C12)=CC(=C2)C(N3CCOCC3)c4nnnn4C5CCCCC5 -MOL_01_024822,Cc1ccc(cc1)CCNC(C2=O)=NC3=NCCn(cn4)c3c24 -MOL_01_024823,c1ccccc1N2C(=C)N(c3ccccc3)C(=C(C2=O)C(=O)OCC)NCCc4ccccn4 -MOL_01_024824,CC(=O)NC1=NN(C(=O)C)C(C1)c2cc(c3n(c24)nnn4)cccc3 -MOL_01_024825,CCc1ncnc(N2CCC(CN)CC2)c1CCc3ccc(C)nc3 -MOL_01_024826,c1ccccc1CNc2cc(C)c(cc2)C(=N)C3=C(N)C(=N)N(Cc4cccnc4)C3c5ccncc5 -MOL_01_024827,CC(N1)Cc(c12)cc(cc2)C(=N)C3=C(N)C(=N)N(C3c4ccc(C(C)C)cc4)CCCN5CCNCC5 -MOL_01_024828,Fc1ccc(cc1)-n(n2)c(c(c23)CC(C3)O)NC(=O)c4ccc(cc4)CN5CCOCC5 -MOL_01_024829,CCOc1ccccc1CC(N)Cn(c2N)ncc(c23)c4c(n3)cccc4 -MOL_01_024830,c1ccccc1N2CN(CC(=N)CC)C(=N)C23CCN(CC3)Cc4cccc(c45)cccc5 -MOL_01_024831,Cc1cc(cc(n1)C)-c(c(F)c2)cc(c23)n(C4CC4)c5c(c3N)c(N)cc5 -MOL_01_024832,Cc(n1)nc(N)c(c12)c3c(c2)c(O)n(cn3)-c4ccccc4 -MOL_01_024833,COCCCn1c(=N)n(CC)c(=N)c(c12)n(C)c(n2)-c3ccc(cc3)-c4ccccc4 -MOL_01_024834,O1CCOc(c12)c(cc(Cl)c2N)-c3cc(O)n(n3)C4CCN(CC4)CCc5ccccc5 -MOL_01_024835,Cc1nc(N)c(CN)c(c1C(C)C)Cc2cn(C)c(c23)cccc3 -MOL_01_024836,CCNC(CC)c1ccc(cc1)-c2c(O)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_024837,NCC(C=1)=CC(C12)=NC(=O)N(C2=O)CCN(C3)CC(C34)CCc5c4cccc5CN -MOL_01_024838,Cc1ccc(cc1)-n(c2=N)c(=N)c(c23)ccn(CN)n3CN -MOL_01_024839,N=C(N)C(CC1)c(n12)cc(CC)c2C(=N)c3ccc(F)cc3 -MOL_01_024840,Cn1c(CN)ccc1-c(c2)ccc(c23)NC(=N)CCC3(c4ccccc4)c5ccccc5 -MOL_01_024841,c1ccnc(c12)C(CC)c3c(CC2O)c(cc(n3)OC)COc4ccccc4 -MOL_01_024842,CCc(c1)ccc(c12)CN(C2=O)CC3(NC(=O)NC3=O)CCc4cncc(c4)-c5ccc(C(=O)N)cc5 -MOL_01_024843,CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)-c3ncnc(c34)ccc(c4)C5=CN(CN)N(CN)C=C5 -MOL_01_024844,C1CNCCN1c(cc2C)nc(n23)cc(n3)-c4cccc(c4)NC(C)C5CCNCC5 -MOL_01_024845,Clc(c1)cccc1-n(c(O)c(c23)c(N)cc2)nc3C(O)NC(C)C -MOL_01_024846,CNC(C)c1ccc(cc1)-c2c(C)cc(C)c3=NC(=N)C(C4=c23)=CC=C4 -MOL_01_024847,Fc1ccc(cc1)C2(CC)NC(=N)N(C2=N)CC(=N)N(C(C)C3)c(c34)cccc4 -MOL_01_024848,CCC(N)c1ccc(cc1)-c2c(C)cc(C)c3=NC(=N)C(C4=c23)=CC=C4 -MOL_01_024849,C=1C=CC(C12)=c3c(=NC2=N)c(C)cc(C)c3-c4ccc(C(C)(C)N)cc4 -MOL_01_024850,Cc1ccc(cc1)-c(n2)cc(C)n(c23)nc(N)c3N(C)C -MOL_01_024851,n1nc(C)n(c12)N(C(=O)C)C(=C(C2)C(=O)C)c3ccc(Cl)c(Cl)c3 -MOL_01_024852,O=C1N=NC(C)=C2N=C(C3=C12)c4c(C3)cccc4 -MOL_01_024853,CCc(c1F)ccc(c12)CN(C2=O)CC3(NC(=O)NC3=O)CCc4cccnc4 -MOL_01_024854,COc1ccc(cc1)-c2n(CCOC)c(nc2)CCC(=O)Nc3cccc(C)c3C -MOL_01_024855,Cc1c(C)ccc(c12)NC(=O)NC2(C(C)(C)C)CCc3ccccn3 -MOL_01_024856,CC(C)N(C1=O)C(=O)c(c12)cc(C)nc2Cc3cc(ccc3F)NCc4ccc(Cl)cc4 -MOL_01_024857,NCC(C)(CN)CCCCC(=N)c1cnc2C(=N)c(cccc3)c3c(c2c14)ccc4 -MOL_01_024858,Cn1c(=N)n(C)c(=N)c(c12)c(c(cn2)NNN)CCc3cccc(F)c3 -MOL_01_024859,Cc1ncccc1Cc2c(CC)c(ncn2)N(C34)C5CC(C3)N(C(C5)C4)C(O)CC(C)C -MOL_01_024860,Cc1ccccc1-c(c2)ccc(c23)C(N)Nc4c(N3)cccc4 -MOL_01_024861,NCC(O)C1=CC(C(O)C2CC2)=c(c13)c=4c(cc3)N=CC4 -MOL_01_024862,CCCC(C(=O)C)NC(=O)C(C/C=C/C)NC(=O)CCc1ccccc1 -MOL_01_024863,C1CCc(c12)cc3c(c2)c4c(c3=C)c5c(cc(CN)c(c5)CN)c(=C)n4CCCC6CCCC(C)C6 -MOL_01_024864,CCc(c1)ccc(c12)CN(C2=O)CC3(NC(=O)NC3=O)CCc4ccc(cc4)-c5ncccc5C -MOL_01_024865,CCCC(=O)c1ncn(c12)c3c(C(=O)C(C2)C)c(N)ccc3 -MOL_01_024866,CCc1cccc(c1)N(C2N)CC(C)n(c23)nc(c3)CCc4ccc(Cl)cn4 -MOL_01_024867,CCOc1nc(ccc1CN)C(C=2C)=CC(C23)=CC(=C3c4ccccc4)c5ccc(CN)c(n5)OCC -MOL_01_024868,CC(=N)C1CC1C(=N)c2ncc(cc2CN)N(CC3CC3)c4ccc(C)c(c45)nccc5 -MOL_01_024869,Cc1ccc(c12)c(C(N)C(C)C)nn(c2N)-c3ccc(Cl)cc3 -MOL_01_024870,c1ccccc1C(=C)C2=C(C)C(=C)N(CN(ON)ON)C2c3ccccn3 -MOL_01_024871,CCNC(=N)c1cccc(c1)-c2c(c3c(N)c(c24)nccc4)CN(C3=N)Cc5ccc(F)cc5 -MOL_01_024872,NCc(c1)c(CN)cc(c12)c(cn(c2=N)CC(C)C)C(=N)N(C)c3cc(Cl)ccc3CN -MOL_01_024873,Cc1cccc(c12)n3c(n2)CCCC3CNC(=O)c4ccccc4CN -MOL_01_024874,CCc1cnc(C)c(c12)Cc3c(C2)c(CCC(=O)N4CCCCC4)nc(n3)-c5ccccc5CN -MOL_01_024875,Clc1cc(C(C)(C)C)cnc1C(O)Nc2ccc(C)c(c2)C3(C)N=C(N)COCC3(C)C -MOL_01_024876,OC1N=C(CC)NC12c3c(CC(C2)(C)C)ccc(F)c3 -MOL_01_024877,NCc1ccc(cc1)Cc2ncnc(c23)CC4=C(C(N)CCC4)C3c5cc(C)ccc5 -MOL_01_024878,CCC(C1N)=CC(N)c(c12)n(C)c(C)c2CCc3ccccn3 -MOL_01_024879,OCCn(c(C)c1C)c(c12)ncnc2Cc3ccc(ON)cc3 -MOL_01_024880,COc1ccc(cc1OC)CCNC(O)C(C)n(c2O)nc(C)n(c23)c4c(c3)ccc4 -MOL_01_024881,Cc1ccccc1C(C2)CCc(c23)c(C(N)NCCO)cc4c3nc(C)n4C -MOL_01_024882,CCN(CC)C(C)c1ccc(cc1)-c2c(O)ccc3=NC(=N)C(C4=c23)=CC=C4 -MOL_01_024883,Clc1cccc(Cl)c1C=2C(=NC(C23)=NC=NC3=O)C(=O)c4ccccc4 -MOL_01_024884,N=C(N1)NCc(c12)ccc(c2)-c3c(N)nn(CCN)c3-c4ccc(F)cc4 -MOL_01_024885,NC(O)C1CCCc(c12)cc(cn2)-c3cncc(F)c3C4(O)COC4 -MOL_01_024886,C1CCNc2c1cc([nH][nH]c3=N)c4c2c(c5n34)cc(Cl)cc5 -MOL_01_024887,COc1cccc(c1)-n2c(CCCN)nnc2-c3cnccn3 -MOL_01_024888,Cn1ncc(c1C)C2Cc(cccc3)c3N=C(C2=4)CC(C)(C)CC4O -MOL_01_024889,Cc1ccc(cc1)Cn2c(=C=CC(C)C)nc(c2=3)N(C)C(O)=NC3O -MOL_01_024890,FC(F)(F)c(cc1)cc(c12)c(=N)c(cn2CC)C(=N)NC3CCc(c34)cc(NC)c(c4)NC -MOL_01_024891,NC(=N1)CCC12C3(CC3)CCc4c2cc(cc4)NC(N)c5ncc(Cl)cc5F -MOL_01_024892,CC(=O)NCC1CC(=O)N(C12)c3c(CC2)cc(cc3)-c4ccncc4 -MOL_01_024893,Cc1cccc(c1)CN(C2CC2)Cn(c3O)nc(C)c(c34)c(cn4)C -MOL_01_024894,Cc(c1)ccc(c12)C(=O)N(C2=O)c(c(F)c3)cc(c34)N(C(=O)C(C4)C)CCCN -MOL_01_024895,CCNc1cc(cnc1C)CCc2c(CC)nc(N)nc2N(CC3)CCC3(C)C -MOL_01_024896,Nc(n1)ccc(c12)c(c(CN)c(=N)n2CN)C3CCCC3 -MOL_01_024897,Cc1cccc(c1)N2CCN(CC2C)C(N)c(c3)cc(c34)c(N)n(C)c5c4cccc5 -MOL_01_024898,c1cccc(CCN2)c1C23C(C(N)N)=CC(=C3)c4cc(F)ccc4F -MOL_01_024899,Clc1ccccc1CNC(=O)CCCN2C(=O)C(Cc(c23)cccn3)c4ccccc4 -MOL_01_024900,NCc1ccccc1NC(=N)CCC2=Nc(cccc3)c3C(N24)=NC(C4=N)Cc5ccccc5 -MOL_01_024901,O=C(O)CC(=O)NC(c(c12)cccc2)C(C1)NC(=O)C(N=3)=CC(C34)=CC(Cl)=C4Cl -MOL_01_024902,CCCCCc1cc(N)cc(N)c1Nc2cc(NC)cc(c23)C(N)(NC3=N)CCCC -MOL_01_024903,C1CCCC1NC(=C)C(c2ccncc2)N(C(=C)c3ccco3)c4ccc(CN)c(c4)CN -MOL_01_024904,O=C1N=C(CC)NC12c3c(CC(C2)(C)C)ccc(c3)CN -MOL_01_024905,Cc1ccccc1C2CCC(C)CN2c(nc3)cc(c34)NC(=O)CC4 -MOL_01_024906,CC(C)N(C1=O)C(=O)c(c12)cc(C)nc2Cc3cc(F)cc(c3)NCc4ccc(Cl)cc4 -MOL_01_024907,CC(=C1)OCC12C3(COC3)C(C)Oc4c2cc(cc4)-c5cncnc5 -MOL_01_024908,N1=NN=NC1C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CCc2ccccc2 -MOL_01_024909,Cc1cccc(c1)-c2ncn(c23)CC(CC3)CNC(=O)CCCN -MOL_01_024910,c1ccnc(c12)C(CC)c3c(CC2=O)c(cc(n3)O)Cc4ccccc4 -MOL_01_024911,NC(N)Cc1ccc(c(Cl)c1)-n2c(NNNC3N)c3c(c24)cccc4 -MOL_01_024912,CCCC(=O)Cn1cnc(c12)c(nc(n2)N)CCc3ccccc3 -MOL_01_024913,CCc(c1)cc(c12)nc3n(c2O)cc(cc3)C(N)O -MOL_01_024914,CCCCc1ccc(cc1)-c2ccc(c23)ncn(c3N)Cc4ccc(C(N)O)cc4 -MOL_01_024915,C1CCCC1NC(N)CCC(N)c2cnc(Cl)c(Cl)c2 -MOL_01_024916,NCc1cc(ccc1)C2(C)CC(C(F)(F)F)=NN2C(O)c3ccccn3 -MOL_01_024917,c1cnccc1C2CCC(O)Nc(c23)n(nc3O)C4CCOCC4 -MOL_01_024918,NCCCCc(c1)ccn(c12)c(cn2)-c(n3)ccc(c34)cccc4CCC5CCCNC5 -MOL_01_024919,Cc1cccc(c12)n(c(n2)N)C3CCN(CC3)CC(C)NC(N)c(c4)ccc(c45)cccc5 -MOL_01_024920,NCn1ccc(c12)ccc(c2)-c3ccc(c(n3)N)C4(N)CCCC4N -MOL_01_024921,O=C(C)C(N=1)=CC(=O)c(c12)c3c(cc2)=Cc4c3cccc4C -MOL_01_024922,C1CCCCC1NC(=N)CCc(nc(c23)CCC3)n(c2=N)-c4ccccc4ON -MOL_01_024923,NCc1ccc(cc1C)-c2ncccc2-c3cc(CN)c(CN)c(c3)CN -MOL_01_024924,c1cccc(c12)c3c(N(C2)C)c(C)n(n3)CC(=O)Nc4ccccc4 -MOL_01_024925,N=C1N=CC=C(C1=2)N=C(C2)c3cccc(c34)ccc(n4)Nc5ccccc5Cl -MOL_01_024926,CCN(C)C(=O)CC1CCN(CC1)c2ncnc(C)c2CCc3ccc(N)nc3 -MOL_01_024927,CCC(CC)c1ccc(Cl)c(c12)nc(c(c2)C)-c3c(CN)cc(NCN)cc3CN -MOL_01_024928,c1cccc(c12)nc3n2cc(cc3CN)-c4ccccc4 -MOL_01_024929,CCCCCCn1c(nc(c1=2)N(C)C(N)=NC2N)=C=CC(N)c3ccccc3 -MOL_01_024930,CC(C)(C)C(=N)CN(C(=N)N1)C(=N)C12c3c(NCC2)cccc3 -MOL_01_024931,C1CCCCN1C(=N)CCc2nc(=N)c(Cc3ccccc3)c(O)n2-c4ccccc4CN -MOL_01_024932,Cc1ccc(Cl)c(CC2=O)c1C23CC(=O)c4c(C3)nccc4 -MOL_01_024933,CC(C)Cc1ccc(cc1)CNC(=O)CN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_024934,c1cccc(c12)NC(=N)c3c(N2)cc(cc3)-c4ccccc4 -MOL_01_024935,Nc1cccc(c1)-n2cnc(c23)cc(cc3)C(N)CC4CCCCCC4 -MOL_01_024936,n1cccc(c12)C(=O)N(c3c(C2)ccc(c3)N)CC(=O)N4CCCCCC4 -MOL_01_024937,CCc(c1)cc(c12)nc3n(c2O)cc(cc3)CN -MOL_01_024938,Fc1ccc(F)c(c12)n(cc(c2=N)C(=N)NC(C)=N)Cc3ccc(ON)cc3 -MOL_01_024939,CCc(c(C)c1)nc(c12)c(ccn2)N3CCN(CC3)CCNCc(n4)ccc(c45)CCC(=O)N5 -MOL_01_024940,ClCc(n1)cc(n12)nc3c(c2=O)=C4C(=C3)CCCC4 -MOL_01_024941,n1nc(Cl)nc(c12)nc(C)c(c2CCC(=C)C)-c3nnnnn3 -MOL_01_024942,Cc1ccc(nc1)C(=O)Nc(c2)ccc(CC3)c2C4(C35CC5)CCC(=N4)N -MOL_01_024943,C1CCCC1CN(C2=O)C(=O)N=C(C2=3)C(=NC3)c4ccccn4 -MOL_01_024944,CCN1C(=O)C(=O)N=C2C(=O)C=c(c3=C12)ccc(c3)CNc4ccccc4 -MOL_01_024945,c1ccccc1CC(N)n2c(C)nc(CC)c2C(N)c3ccc(cc3)-n4ccnc4C -MOL_01_024946,NC1CN(CC1)c(n2)c(C)cc(c23)c(C)c(cn3)C(=O)NC(C)C -MOL_01_024947,CC(=O)CCC(=O)N1CCc(c12)cc(cc2)CN3CCN(CC3)c4cccc(C(F)(F)F)c4 -MOL_01_024948,c1ccccc1CC(=N)c(c(n2)N)cn(c23)nc(N)c3-c4ccccc4 -MOL_01_024949,N=1C=Cc(c12)c3c(cn2)=NC(=N)N3C4CCNCC4 -MOL_01_024950,CCNC(=N)C1=C(CNCCN)N=C(C)/C(=C(/N)NC)C1c2ccccc2Cl -MOL_01_024951,CCc1ccccc1-n2c(C)cc(=O)nc2CCC(=O)Nc3ccccc3C -MOL_01_024952,Fc1ccc(cc1)-c2n(CN)c(nc2)CCC(N)C3CCc(c34)cccc4 -MOL_01_024953,CC(C)CCC(=C)C1=C(C)CC(C123)(CC(N)=C2CN)c4c(C3=C)cccc4 -MOL_01_024954,c1ncc(c12)n3c(c2)c(O)n(nc3CC)CC(O)NCc4cccnc4 -MOL_01_024955,NOc1ccc(cc1)C23N(C(=C)CC2)CC(O3)NOc4ccc(Cl)cc4 -MOL_01_024956,CCNC(=N)CC(C1C(=N)NCC)=C(NC(C)=N)Nc(c12)ccc(c2)-c3ccccc3 -MOL_01_024957,c1ccccc1C23N(CCC2)C(N)c4c3cncc4 -MOL_01_024958,NCCN1C(=O)CCc(c12)cc(F)c(c2)N(C3=O)C(=O)c(c34)cccc4 -MOL_01_024959,Fc1cc(ccc1)NC(=N)c(c2)ccc(c23)cc4n3C(N)CCNC4=N -MOL_01_024960,NCc1ccc(CF)cc1-c(nc(c23)cccc3)c(n2)-c4ccccc4 -MOL_01_024961,c1cccc(c12)C3C(C(=O)N2C)C=C(C3)C(=O)NCCN4CCC(CC4)Cc5ccccc5 -MOL_01_024962,c1ccccc1-n2n(C)c(C)c(c2=N)NC(=N)C(C)OC(=N)CCc3ccccc3ON -MOL_01_024963,c1ccccc1CN(C)Cc(nc(c23)n(C)c(=N)n(C)c3=N)n2CCCc4ccccc4 -MOL_01_024964,NCc(c1)c(CN)c(CN)c(c12)C(C)(CCC(N2)=C)c3cc(Cl)ccc3F -MOL_01_024965,CCC(N)CCc1cccn(c12)c(c(C3CC3)c2C(N)C(N)N)CC4CCCCC4 -MOL_01_024966,C1COCCN1C(=O)CCc(c(c23)c(=O)n(C)c(=O)n2C)nc(n3)-c4ccccc4Cl -MOL_01_024967,NCc1c(CN)cccc1C(CC23)=C(C(=C)CN)C(CC2)N3C(=C)NCc4ccccc4 -MOL_01_024968,c1cccc(c12)ccc(c2)CC(N)CCc3cncc(c3)-c(c4)ccc(c45)cncc5 -MOL_01_024969,COc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C(=CN4)c5ccccc5 -MOL_01_024970,c1ccc(c12)ncn(c2N)-c3cc(CN)c(cc3)CCCN4CCCC4 -MOL_01_024971,c1cnccc1-c(c(c23)cccc2)c(c(=N)n3CCN)-c4ccc(F)cc4 -MOL_01_024972,n1ncn(c12)N(C(C)O)C(=C(C2)C(C)O)c3ccc(Cl)c(Cl)c3 -MOL_01_024973,CCCc1cccc(n1)C(C2)C23c4c(N=C3N)ccc(Cl)c4 -MOL_01_024974,CCc1ccccc1NC(O)c(c2C)cc(c23)ncn(c3O)CC -MOL_01_024975,c1cccnc1-n2c(nc(c23)CCC3)C(C)Cc4ccccc4N5CCOCC5 -MOL_01_024976,Cc1c(C)cc(c12)ncn(c2N)CC(N)Nc3ccc(cc3)CCNCC(O)c4cccnc4 -MOL_01_024977,CCCCCNc1ccc(c(C)c1)-c2cccc(c2)C(N3)CNc(c34)cc5c(c4)NCC5CC(N)N -MOL_01_024978,Cc1ccc(cc1)-c2cnc(n2C)CCC(=N)N3CCCc(c34)cccc4 -MOL_01_024979,CCc1ccc(cn1)-c(c2)ccc(c23)N4C(C=C3)C(CC4=O)CNC(=O)C -MOL_01_024980,c1cccc(c12)nc(N)c(c2)-c(n3)cn(c34)cccc4 -MOL_01_024981,c1cccc(c12)c3c(c2)c(-c4ccccc4)nc(N)n3CCN5CCCC5 -MOL_01_024982,C1CCCN1C(O)CN(C2O)c(cc(Cl)cc3)c3Cc(c24)nccc4 -MOL_01_024983,Cc(c1)ccc(c12)c3c4c(c(CN)c(C)c3CN)CCN=C4C2(C)C -MOL_01_024984,c1ccccc1C2(C)CC(O)N(C2)C3CCC(CC3)n4c(O)nc(c45)cncc5 -MOL_01_024985,c1ccccc1-n(nc2)c(CN(O3)ON)c2C34CCN(CC4)Cc5ccccc5 -MOL_01_024986,COc1ccc(cc1)C(N=2)=CC(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_024987,Fc1ccc(cc1)Cn(c(c23)c(=N)n(C)c(=N)n3C)c(n2)CCc4cccnc4 -MOL_01_024988,CCOCn1cc(O)c(-c2ccc(F)cc2)c1-c3ccnc(n3)NCCN4CCOCC4 -MOL_01_024989,CCc1ccccc1-n(c2C)c(nc(c23)nnc3)CCC(=O)N4CCCC4 -MOL_01_024990,Fc1ccc(cc1)NC(=N)CN2C(=N)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_024991,C1CC(N)=NC12c3c(ccc(c3)CC)Cc4c2cc(cc4)-c5cccnc5F -MOL_01_024992,C1CC1CCC2(C(F)(F)F)NC(O)Nc(c23)ccc(F)c3F -MOL_01_024993,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ncnc(c3C)CC(C)C -MOL_01_024994,Cc1cccc(c12)nc(c[n+]2[O-])-c3cccnc3N4CCN(C)CC4 -MOL_01_024995,Fc1ccc(cc1)C(=N)c(c(=N)c(c23)ccc(n3)C)cn2CC(=N)NCc4ccccc4 -MOL_01_024996,CNc1c(N)nn(c12)c(C)cc(n2)-c3ccccc3 -MOL_01_024997,CCC(=O)C1=C(C)NC(=O)C1(C(C)(C)C)Nc2ccc(Cl)cn2 -MOL_01_024998,c1cccc(c12)nc(c(C)c2N)-c3ccc(c(c3)C(N)N)N4CCCCC4 -MOL_01_024999,NOc1cc(ccc1)-c(n(c2N)CCC)nc(c23)nc(n3)C4CCCC4 -MOL_01_025000,Nc1ccccc1-c2ccc(n23)c4c(cccc4)n5c(C3)cnc5 -MOL_01_025001,CNC(O)c1c(OC)cc(cc1)-c2ncnc(CC)c2CCc3ccc(N)nc3 -MOL_01_025002,CCCCCC(=O)C1=C(C)CC(N)=C(CN)C1c(c(Cl)n2)cc(c23)cccc3C -MOL_01_025003,Cc(n1)ccc(c12)c3c(cc2)CNC(C3)CN4CCN(CC4C)c(n5)ccc(c56)cccc6 -MOL_01_025004,CC(C)NC(N)c1nn(c(N)c(c12)c(N)cc2)-c3ccc(cc3)CCCCF -MOL_01_025005,CCC(NC)c1ccc(cc1)-c2c(C)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_025006,Cn1c(C)nc(c12)c3c(c(c2)C(N)N(C)C)CCC(C3)c4ccc(F)cc4 -MOL_01_025007,COC(O)c1ccccc1NC(O)c(c2O)cnc(n23)cc(n3)N4CCOCC4 -MOL_01_025008,Nc1ccncc1Cc2cc(-c3ccccc3)nc(c24)CCCC4N -MOL_01_025009,O=C(O)C1=CCC(N12)/C(C2=O)=C/c(n3)cn(c34)CCCC4 -MOL_01_025010,Cc(n1)ccc(c12)c3c(cc2)CNC(C3)CN4CCCN(CC4)c(n5)ccc(c56)cc(cc6)CN -MOL_01_025011,CNCNCC1CCN(CC1)C(C)c(c(C)c2)cc(c23)c4c(c(n3)C)cnn4C5CNCNC5 -MOL_01_025012,COc(c1)ccc(c12)cc3c(n2)n(nc3C)C(O)c4ccc(OC)c(c4)OC -MOL_01_025013,CCc(c1)c(CC)cc(c12)nc(nc2N)N3CCC(CC3)C(=O)N(CC)CC -MOL_01_025014,c1ccccc1CC2Cc(c3C4(C25CCC5)N=C(N)CC4)ccc(c3)-c6cncnc6 -MOL_01_025015,C1CCCCc(c12)nc3c(nnnn3)c2-c4nnnnn4 -MOL_01_025016,CCC(=O)N(N(C)C1)C(=O)C(=C12)N(CC(=O)C2)c3cccc(C)c3 -MOL_01_025017,Cc1cc(C)ccc1C(CC(=O)C)NCc(c2)ccc(c23)CC(C)CN3C(=O)C -MOL_01_025018,CCCc1cc(nc(n1)N)Cc2c(C3CCC3)ccc(c2F)-c4cnc(N)cn4 -MOL_01_025019,CCC(CC)c1ccc(C)c(c12)nc(c(F)c2)-c3c(CN)cc(CCN)cc3CN -MOL_01_025020,c1cccc(c12)c3c(c2)c(C)nn(c3N)C(CC)C(N)N4CCC(CC4)N5CCCCC5 -MOL_01_025021,CCCC(O)c(n1)nc(n12)c(C)nc3c2cc(N)c(c3)C(C)(C)C -MOL_01_025022,NCc(c1N)c(C(C)C)cc(c12)N(N)CC3C(=C2)C=CN(N)C3(C)C -MOL_01_025023,Cc1ccc(cc1)C(N)C2CCN(CC2)C(N)c3cc(ccc3C)Cc4nnc(N)c(c45)CCCN5 -MOL_01_025024,CCCCCn1cc(c(N)c(c12)c(C)cc2)C(N)NC3CCCCCC3 -MOL_01_025025,Cc1c(O)cccc1NCC(N=2)=NC(=O)C(C23)=Cc4c3cc(Cl)cc4 -MOL_01_025026,C1COCCN1Cc(n2)cc(n23)nc4c(c3O)cnn4-c5ccccc5 -MOL_01_025027,CC(O)c1cccc(c1)Nc2ncnc(c23)cc4c(c3)n(c(c4)O)CCCN5CCOCC5 -MOL_01_025028,Cc1cc(N)cc(c12)ncnc2Nc3ccc(F)cc3CCC(C4)C4(F)F -MOL_01_025029,N1NC(N)Nc(c12)n3c(nc2CN)nc(c3)C(=O)c4ccccc4 -MOL_01_025030,N=C1CC(N)(N)CC(=C12)OC(C)=C(CC)C2c3ccc(cc3)OC(=N)C4CCOCC4 -MOL_01_025031,Cc1ccc(c12)nc(O)n(c2O)CCN3CCN(CC3)c4ccccc4CN -MOL_01_025032,CCCCNC(=O)CN1C(=O)c(cccn2)c2Cc(c13)ccc(Cl)c3 -MOL_01_025033,CCCc1ccc(c(C)c1)-c2nc(C)ncc2-c3ccccc3CN -MOL_01_025034,CCC(CC)c1ccc(C)c(c12)nc(c(c2)C)-c3c(CN)cc(NCN)cc3CN -MOL_01_025035,c1ccccc1C(N(C)C=2N)=CN(C23)c4n(C=C3)cnc4 -MOL_01_025036,c1cccc(c12)ccc(n2)C(N)Nc3ccc(cc3)-c(n4)cn(c45)CCC5 -MOL_01_025037,c1nccnc1-c2nnc(n2CC)CCC(O)Nc(c3)ccc(c34)n(CC)c5c4cccc5 -MOL_01_025038,N=C(C1)N(C)C(=N)C12c3c(cccc3)C(=N)N(C2=N)Cc4cccc(C(F)(F)F)c4 -MOL_01_025039,Cc1cccc(c1)-n2c(N)cc(=O)nc2CCC(=O)Nc3cc(C)on3 -MOL_01_025040,c1cccc(c12)C(=O)c3c(=C2)ccc=4c3N=C(N4)CC5CCCCC5 -MOL_01_025041,c1cccc(c12)CC(C(=N)CC)N2C(=N)CN3CCN(CC3)Cc4ccc(C)cc4 -MOL_01_025042,NCCCCc1cc(C)c(cc1)-c2nnc(C)n2-c3cccc(c34)cccc4 -MOL_01_025043,c1cccc(c12)c(=N)c(c(n2C)NC(=N)C(N)N)-c3ccccc3F -MOL_01_025044,CCN(CC)c1ccccc1CC(=O)c(nc(c23)CCC3)n2-c4ccccn4 -MOL_01_025045,Cc1ccc(cc1C)-n(c2N)c(nc(c23)nnc3)CCc4ccccc4C -MOL_01_025046,Clc1ccc(cc1)C(N=2)=CC(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_025047,Cc1ccccc1-c(c2CN)c(CCCN(C)C)nc(c23)cccc3 -MOL_01_025048,CCC(N)c1ccc(cc1)C2CC(C)=Nc(c23)n(nc3N)C4CCCC4 -MOL_01_025049,OC1NNNc(n2)c1c(c(c23)ccc(Cl)c3)CCc4ccccc4 -MOL_01_025050,NC1CC(C)(C)Cc(c12)nc(c(CN)c2CC)CCCC(N)Nc3cccc(c3)CN -MOL_01_025051,CCN(N)c1ccc(cc1)-c2c(C)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_025052,CCCNc(c1)ccc(c12)C(CC3=CN(CN)N(CN)C=C3)N(CC2)CC(N)NCc4ccccc4 -MOL_01_025053,c1cccnc1-c2n(cnc2C(=O)NC)-c3ccccc3C -MOL_01_025054,o1cccc1-c(n2)nc(c(c23)c(=O)n(C)c(=O)n3C)CCc4ccccc4 -MOL_01_025055,COCC(=O)CCCCc1nc(cc(c12)ncn(c2=O)C)-c3ccc(OC)c(c3)OC -MOL_01_025056,c1cccc(n12)nc3c(c2N)cc(c3)C(N)Cc4ccc(F)cc4F -MOL_01_025057,COc1ccc(cc1OC)CCNC(O)c(c2O)cnc(n23)cc(n3)N4CCOCC4 -MOL_01_025058,NOc1ccc(cc1ON)C(C=N2)=c(c23)n4c(c(n3)=O)ccc4 -MOL_01_025059,c1cccnc1C(=N)N2CCCC2c3cnc(cc3N)-c4cccc(Cl)c4 -MOL_01_025060,Cc(c1)c(C)cc(c12)Cc3c(cc(cn3)N)C(O)N2C(C)C -MOL_01_025061,COc1ccc(cc1)C(N)Cn(cc2)c(-c3ccc(cc3)OC)c(c24)nc5c4cccc5 -MOL_01_025062,c1ccccc1C2(O)CCN(CC2)C(=O)c3ccc(c(F)c3F)NCc4cccc(c45)cccn5 -MOL_01_025063,CCCCCn1c(=N)c(c(N)c(c12)cccc2)C(=N)NC(C)c3ccccc3 -MOL_01_025064,CC1C(=O)c2cc(C(=O)N)nc(c2c13)c(Cl)cc3Cl -MOL_01_025065,c1nccnc1-c2nnc(CC)n2-c3cccc(c3)CN -MOL_01_025066,CC(=O)c1ccc(cc1)Cc2c(C(=O)N)c(nn(c2=O)CN)-c3ccccc3 -MOL_01_025067,CCCC(=O)c(c1CCN)ncc(c12)Cc3c2cc(cc3)CN -MOL_01_025068,CN(C)CNCc1c(CCCN)c(=N)n(c(c12)nccc2)-c3ccccc3 -MOL_01_025069,c1ccccc1CNc2cc(cnc2C)CCc3c(C)ncnc3N4CCOCC4C -MOL_01_025070,CCCn(c1O)c(O)nc(c12)nc(n2)-c3ccc(cc3)OCC(O)NCCCc4ccccc4 -MOL_01_025071,Clc(c1)ccc(c12)n3c(CC(C2=O)C)c(nc3)C(=O)CCC(N)(N)N -MOL_01_025072,NCCCn1c(=O)cnc(c12)cnc(n2)Cc3ccccc3 -MOL_01_025073,CCC(CC)CNC(=N)c(c1)ccc(c12)n(C)cc2Cc3ccc(C(=N)N)cc3NC -MOL_01_025074,CCc1ccc(cc1)C(=O)NCc2nnc(n2C3CCCCC3)CCC(=O)N4CCc(c45)cccc5 -MOL_01_025075,C1CCCC1C(=O)C2CCc(n23)c(Cl)cc(c3=O)CCc4ccncc4 -MOL_01_025076,COC(=O)C1(CCC1)CC(=O)c2ccc(C(C3)CC3(F)F)c(c2)OCC4CC4 -MOL_01_025077,Fc1cc(ccc1)C(CC2=O)C(CN)=C(N23)CCN(C3)c4ccc(F)cc4 -MOL_01_025078,COc1cccc(c1)-c(nc(c23)C(N)=NCN3C)c(n2)-c4cccc(c4)OC -MOL_01_025079,NCc1ccc(cc1F)-c(cc(c23)nccc3)nc2CCC4CCC(N)C4 -MOL_01_025080,Cc1ccccc1NC(O)Cc2nc(O)cc(n2)N3CCCCC3 -MOL_01_025081,c1nccnc1-c2nnc(n2C)CCCCN3CCCC(C3)c4ccc(C(C)(C)C)cc4 -MOL_01_025082,c1cccc(c12)c3c(n2)n4c(nn3)CCCC4 -MOL_01_025083,CC1CCCN1C(O)c2nn(C)c(c23)nc(cc3)CCc4ccccn4 -MOL_01_025084,CCCc1ccc(cc1)CCNC(N)CN(C2N)c(cc(Cl)cc3)c3Cc(c24)nccc4 -MOL_01_025085,c1ccnc(c12)n(c(N)c2NC(C)N)C(N)c3ccc(C(F)(F)F)cc3 -MOL_01_025086,NCc1ccc(cc1)C(=N)c2cn(c(c23)ccc(c3)C)CC4CCCC4 -MOL_01_025087,c1ccccc1CN(C2=O)C(=O)N=C(C2=3)N=C(N3)c4cnn(c4)Cc5ccccc5 -MOL_01_025088,NCc1cccc(CN)c1CN2CCCC(C2)C(N)c3cccc(Cl)c3 -MOL_01_025089,CCN(CC)CC(N=1)=Nc(c12)c3c(cc2)=Cc4c(C3=O)cccc4 -MOL_01_025090,CC(=N)c(c1=N)cn(C2CC2)c(c13)cc(c(F)c3)C(C4)CC4(N)C(C)C -MOL_01_025091,c1cc(O)cc(c12)n3c(c2N)C(O)NCC(C3)O -MOL_01_025092,CCCC(N)C(C)n(c1N)cnc(c12)ccc2-c3ccc(C)cc3 -MOL_01_025093,CC(=O)NCCNc1nc(n2c(c13)cccc3)c(nc2)-c4ccccc4 -MOL_01_025094,Fc1ccc(cc1)CNc2cc(cnc2Cl)-c(nc3)cc(c34)cccn4 -MOL_01_025095,Cc1ccc(cc1)-c2ncn(c23)c4c(cccc4)c(n3)NCCCON -MOL_01_025096,n1ncc(c12)c(O)n(CC(C)(C)C)c3c2ccc(c3)Nc4cccnc4 -MOL_01_025097,CCC(=N)c(c1CC2)cn(c(N)c(n3)N)c3c1CC24c5c(CC4)cccc5 -MOL_01_025098,C=C1CC(CN1)C(C)Cc2nc(cc(c23)nccc3)-c4ccc(CC(C)C)c(c4)CN -MOL_01_025099,FC(F)(F)C(C)(O)c1ccc(nc1)-c2ccc(Cc3ccc(N)nc3)nc2Nc4ccccc4 -MOL_01_025100,c1cnc(c12)c(N)n(C)cc2-c3cc(CC)ccc3Cc4cccc(c4)CN -MOL_01_025101,n1cccc(c12)nc(c(O)c2CC(=O)C)-c3cc(C)cc(C)c3 -MOL_01_025102,NCNCCn(c1O)cnc(c12)cc3c2nc4c(n3)cccc4 -MOL_01_025103,Clc1ccc(cc1)C(C=2)=NC(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_025104,Nc1ncc(cc1)Cc2nc(NC(C)C)c(cc2)-c3ccc(cn3)C(C)(O)C(F)(F)F -MOL_01_025105,NCCCCNC(N)c(c1)ccc(c12)n(c(n2)N)-c3cccc(N)c3 -MOL_01_025106,NCc1ccccc1CCCN2CCCCC2C(=O)N3CCCCC3 -MOL_01_025107,Fc1ccc(F)c(c12)n(cc(c2=N)C(=N)NCC)Cc3ccc(NC)cc3 -MOL_01_025108,NCc1cccc(c12)n(cc2C(N)C(C3(C)C)C3(C)C)CC4CCCCC4 -MOL_01_025109,Cc1ccccc1-n(nc(c23)CC(C3)C)c2NC(N)c4cccc(F)c4 -MOL_01_025110,c1cccc(c12)c(N)c(c(=N)n2CCCC)C(=N)NC(C)c3ccccc3 -MOL_01_025111,c1cnncc1C(C(=N)NC(C)(C)C)N(C(=N)c2ccco2)c3ccc(C(C)(C)C)cc3 -MOL_01_025112,CC(C)Cc1ccc(cc1)C(=NC(C23)=NC(N)=NC3=N)C=2c4ccccc4 -MOL_01_025113,Nc(c1)ccc(c12)n3c(n2)CCC3c4c(F)cccc4F -MOL_01_025114,Cc1ccc(cc1)-c2cc(C(F)(F)F)c(CN)c(n2)CCC(N)Nc3ccccc3F -MOL_01_025115,c1cccnc1-c2nnc(n2CCC)CCC(N)NC3CCCCC3 -MOL_01_025116,CC(N=1)=Cc(c12)c(C(O)O)c=3c(c2C)N=C(C3)C -MOL_01_025117,NC(=O)c(c1)nn(c12)c3c(CCC2C)ccc(c3)CCC(C)(O)c4ncccn4 -MOL_01_025118,CNc1c(NC)c(NC)cc(c12)CCC(=N)c3c2cc4c(c3)n(C)cc4 -MOL_01_025119,Cc1cccc(c12)n3c(CC(C2=O)C)c(nc3)C(=O)CC(C)C -MOL_01_025120,CC(N)CCc(c1N)c(N)nc(c12)n(nc2N)-c3ccccc3 -MOL_01_025121,NCN1C=CN(CN)C=C1C(c2nnnn2C(C)(C)C)N(C3)CCc(c34)cccc4 -MOL_01_025122,Nc1cccc(c1)C(=C(C2=3)C(=O)N=CN3)C(=N2)C(=O)c4ccccc4 -MOL_01_025123,CNc1c(C)ccc(c1Cl)C(C2)CCC(N23)CN(CC3)C(=O)Cc4cnc(nc4C)-n5cnnn5 -MOL_01_025124,c1cccc(CCC2)c1C23NC(=N)N(C3=N)CCCN(C4)CCc(c45)cccc5 -MOL_01_025125,Oc1ncnc(c12)n(nc2)CCC(O)c3ccc(cc3)CN4CCCCC4 -MOL_01_025126,N1CNc(c2)c1cc(C3c(cc4Cl)ccc4)c2NC(=C35)CNC5=N -MOL_01_025127,C1CCCCCN1C(=C)C2=CN(C(=C)c(c23)cc(CN)c(c3)CN)c4cccc(c4)N(C)C -MOL_01_025128,COc1cccc(c1)NCC(Cl)(C(O2)(C)C)C(=O)c(c23)cccc3 -MOL_01_025129,c1cccc(c12)n(C(N)N)cc2C(N)C(N)Nc3cccnc3 -MOL_01_025130,n1cccc(c12)cccc2CNc3ccc(cc3C)C(=O)N(CC4)CCC4(O)c5cccc(Cl)c5 -MOL_01_025131,NCc(cc1)cc(c12)c(cc(n2)C)CCC(=O)Nc3ccc(C)c(C)c3 -MOL_01_025132,N1C(=N)C=C(C)c(c2NC)c=1cc(c2=3)N=CC3C -MOL_01_025133,Cc1cc(C)nn1C(NC)c2cccnc2Cc3ccc(C)c(c34)CCC4 -MOL_01_025134,CCc1cc(ccc1C)NNc(nc(c23)cccn3)c(=O)n2CC(=O)C -MOL_01_025135,c1cccnc1CCc2ncc(C)c(n2)C3CCCN(C3)C(=N)c(c(o4)=N)cc(c45)cccc5 -MOL_01_025136,Cc(n1)nc(C)c(c12)cc(cc2)-c(c3)cc(c(c34)cccn4)CC(C)C5CNC(=O)C5 -MOL_01_025137,NCc1ccc(cc1)-c2c(CN)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_025138,COc1cccc(c1)-c(n2)nc(c(c23)c(=O)n(C)c(=O)n3C)CCC(=O)NCc4ccccc4 -MOL_01_025139,CCCCC(O)CC(O)(O)C1CCC(CC1)CCCC(O)c2cccc(c23)OCCO3 -MOL_01_025140,Cc(c1)c(C)cc(c12)N=C(C2NN)C3C(N)=Nc(c34)cccc4 -MOL_01_025141,CCNC(N)c1ccc(Cc2ccccc2)c(c1)-c3cn(C)c(N)c(c34)ncc4 -MOL_01_025142,NC(N)Cc(ccc1)c(c12)cc(C)n2C(N)c3ccc(cc3)NCC(C4)CNc(c45)cccc5 -MOL_01_025143,NCOC(=O)c1ncn(c12)c3c(cccc3)C(=CC2)c4ccc(ON)cc4 -MOL_01_025144,CCCC12c3c(nnnn3)CC(N1)c4c2nnnn4 -MOL_01_025145,NCc1ccccc1C(CC=C2)C23NNNc4c(C3=O)cccc4 -MOL_01_025146,CCCNC(=O)C(C)c1ccc(cc1)CC2CCN(C2)c3ncnc(c3F)CCC(F)(F)C -MOL_01_025147,C1CCCCN1C(=O)CCCN2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_025148,c1cccc(c12)ccc(c2)C(CC34)=C(C(=N)CN)C(CC3)N4C(=N)NC(C5)Cc(c56)cccc6 -MOL_01_025149,c1ccc(c12)n3c(c2)c(O)n(nc3CC)CC(O)N(C)c4ccccc4 -MOL_01_025150,Nc(c1)ccc(c12)c3c(n(C)c2=N)c4c(CCC3)cccc4 -MOL_01_025151,C1CCCCC1NC(N)C(CC)n(c2N)nc(C)c(c23)cc4c3cccc4 -MOL_01_025152,COc1ccc(cc1)NC(=O)CN(C)C(=O)c(c(Cl)c2)cc(c23)CN=C4N3CCCCC4 -MOL_01_025153,Nc1cccc(c1)-n2c(N)nc(c23)cc(cc3)C(N)NC4CCCCCC4 -MOL_01_025154,CCCC(N)c(c1)cc(N)c(c12)nc(cn2)-c3ccccc3 -MOL_01_025155,CCNc1cc(cnc1OC)CCc2c(C)ncnc2N3CCOCC3 -MOL_01_025156,c1cccnc1-c2nnc(n2CCC)CCC(O)NC3CCCC3 -MOL_01_025157,COC(=O)C(C(=O)N=1)=C(O)C(C12)=C(C=C2)c3ccccc3 -MOL_01_025158,Nc1nccc(c12)nc(C(CC3(F)F)CC3)c(c2)-c4ccc(F)cc4 -MOL_01_025159,n1cccc(n12)cc(C(=O)C(CN)CNO)c2-c3cccc(N)c3 -MOL_01_025160,CC(=N)N(CC1)CCC12CC(=N)c3c(O2)ccc(c3)OCC(=N)NCc4ccco4 -MOL_01_025161,c1cccc(c12)ccc3c2n(nc3C(O)N4CCOCC4)-c5cccc(c5)Cn6cccn6 -MOL_01_025162,Cc(c1)ccc(c12)n(cn2)C3CCN(CC3)C(N)C45CC6CC(C4)CC(C6)C5 -MOL_01_025163,CCc(n1)ccc(c12)nccc2N3CCC(C3)CCCNCc(n4)ccc(c45)CCC(=O)N5 -MOL_01_025164,C1CCCCN1c2cc(O)nc(n2)CC(O)Nc3ccc(Cl)cc3 -MOL_01_025165,c1ccccc1CNc2cc(cnc2C)CCc3c(C)ncnc3N4CCOCC4 -MOL_01_025166,c1cnccc1C(C2)CCc(c23)c(c(N)nc3C)C(N)c4ccccc4 -MOL_01_025167,Cc1ccccc1C(CC(C)C2N)=Cc(c23)nc4n3cccc4 -MOL_01_025168,FNc1cc(ccc1)C(=O)Cc2ccc(cc2)-c(n3)cnc(c34)cccc4 -MOL_01_025169,C=1N=Nc(c12)nc(=N)n3c2nc(n3)-c4cccc(Cl)c4 -MOL_01_025170,NCc(c1)c(CN)cc(c12)c(cn(c2=N)CC(C)C)C(=N)N(C)c3cccc(C(F)(F)F)c3 -MOL_01_025171,CC(C)(O)CCc(n1)ccc(c12)CCCc3n2cc(n3)C(=O)N -MOL_01_025172,c1ccncc1C(C(=N)NC(C)(C)C)N(C(=N)c2ccco2)c3ccc(F)cc3 -MOL_01_025173,NCc1ccc(cc1)-n(c2O)cnc(c23)c(cc3)-c4cccc(Cl)c4 -MOL_01_025174,c1cccc(c12)nc3n2CCN3C(O)C4CCCN(C4)Cc5cccnc5 -MOL_01_025175,NCC1=CC(=C)CC(N)C12Cc3c(C2=C)c(CN)cc(c3Cl)CN -MOL_01_025176,c1ccccc1C(CN)CC(=N)c2cc(n(c23)CCCC3)C(=N)CCC4CC4 -MOL_01_025177,CCc1ccc(cc1)NC(=N)CCC(N=2)=C(CN)C(c3ccoc3)C(C24)=C(C)CCC4 -MOL_01_025178,c1ccccc1C(C)NC(=O)C2CCCN2Cc(c3)ccc(c34)n(C)c(=O)c(=O)n4C -MOL_01_025179,Nc1ncc(cc1)CCc2c(ncnc2C)N(CC3)CCC34CCN(C)C4O -MOL_01_025180,c1c(C)c(C)cc(N(CC)C2O)c1Cc(c23)ncc(c3)N -MOL_01_025181,CNc(c1)ccc(c12)N(C(O)C2O)CCn3cc(nn3)COc4cc(O)cc(c45)cccc5 -MOL_01_025182,Cc1cccc(c1N)NCC(N=2)=NC(=N)C(C23)=Cc4c3cc(Cl)cc4 -MOL_01_025183,C=1C=CC(C12)=c3c(=NC2=O)ccc(C)c3-c4ccc(cc4)CNC(C)C -MOL_01_025184,Cc1ccc(cc1)CN(C2)CCc(c23)nc(c4c3NCN(C4)C)NCc5ccccc5 -MOL_01_025185,Cc(c1)ccc(c12)c3c(C2C)nc(CN)c(n3)CN -MOL_01_025186,CC(C12)C(CC1)CC(C2)OC(=N)c3c(N)n(CC(F)F)c(c34)cccc4 -MOL_01_025187,C1CCC1C(=N)N2CC(F)CC2c3cnc(cc3N)-c4cccc(Cl)c4 -MOL_01_025188,CNc1cccc(c1)Cn(c2N)ncc(c23)c4c(n3C)cc(c4)C -MOL_01_025189,CC(C)(C)c(c1)ccc(c12)n(cn2)C3CCN(CC3)C(O)CON -MOL_01_025190,Cc1ccc(C)c(c1)N2CCN(CC2)C(N)Cn(c3N)nc(C)c(c34)cc5c4cccc5 -MOL_01_025191,NCc(cc1)cc(c12)nc(n2CCCC)CCn(c3=O)nnc(c34)cccc4 -MOL_01_025192,CCCc1ncnc(c12)cc3c2ccn(c3N)-c4ccc(C)cc4 -MOL_01_025193,CNC(=O)c1cc(F)cc(c1)-c(c2)ccc(CC3(C)C)c2C4(C35CCC5)CCC(=N4)N -MOL_01_025194,CC(C)Nc(n(CC)c1N)nc(c12)c(cc2)-c3cncnc3 -MOL_01_025195,CCNC(=N)C12C(C1)(C3CC3)c4c(NC2=N)ccc(Cl)c4 -MOL_01_025196,NOc1ccc(cc1)Nc2c(nc3c4cccc3)c4n(C)c(c25)cccc5 -MOL_01_025197,Cc1cccc(c12)nc(cc2N)-c3cccnc3NCCN(C)C -MOL_01_025198,CCCn1ccc(c12)nc(C)nc2C(C)c3ccc(ON)cc3 -MOL_01_025199,Cc(c1)ccc(c12)n(C)c(=N)c(c2N)C(=N)N(C)c3ccccc3 -MOL_01_025200,COc1ccccc1C2CCC(CC2)C(O)Cn(c3O)c(O)nc(c34)ccc4 -MOL_01_025201,c1cccc(c12)c3c(c(N)n2CC)cc(c3)C(N)N(CCN(C)C)Cc4ccccc4 -MOL_01_025202,NCc1ccc(cc1CN)-c(cc(c23)nccc3)nc2CCC4CCC(N)CC4 -MOL_01_025203,c1cccc(c12)CCC2C(=N)c3cc(nc(c34)cccc4)-c5ccc(CN)c(c5)CN -MOL_01_025204,Clc1ccc(cc1)N(C2N)C(N)c(cccc3)c3C24CCCCC4 -MOL_01_025205,NNCC(=N)c1ncn(c12)c3c(cccc3)C(=CC2)c4ccc(N)cc4 -MOL_01_025206,Cc(c1)ccc(c12)n(cn2)C3CCN(CC3)CC(=N)Nc4ccc(F)cc4 -MOL_01_025207,CC1CCN(CC1)C(O)c(c2)cc(c23)nc4n(c3O)cccc4 -MOL_01_025208,COc1ccc(cc1)-c(n2)cc(n23)C(=O)C(C(=O)C3)CCc4cccc(c4)OC -MOL_01_025209,Cc1cccnc1NC(C(C)(C)C)(C2=N)N=C(N23)CCC3 -MOL_01_025210,N1=NC(N)=c(c12)c(=O)n3c(n2)ccc3-c4ccc(NO)cc4 -MOL_01_025211,CCNC(=N)CC1C(=N)N(c2ccc(F)cc2)C(=N)N1Cc3ccc(OC)c(c3)OC -MOL_01_025212,c1cccc(c12)CC(C)C(=O)N2CC(=O)N(Cc3ccccn3)Cc4ccccc4 -MOL_01_025213,Cc(c1)cc(c12)c(N)nc(O)n2CC(O)Nc3ccccc3CN -MOL_01_025214,c1cnccc1-c2cnc(O)c(c2)NC(O)C(Cc3ccccc3)NCc4ncccn4 -MOL_01_025215,Cc1nc2cc(Cl)cc(c2n13)CC(C(C3)N)CC4CCC4 -MOL_01_025216,c1ccccc1-c(n2)ccc(c23)C(N)C(=CC3N)CCc4ccccc4 -MOL_01_025217,NCc(c1)ccc(c12)nc(c(c2)CN)CCC(=O)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_025218,CC(C)c1ccc(cc1)-c2ccnc(c23)CC(C3)(N)C(=N)CCC4CC4 -MOL_01_025219,c1ccncc1C2N=C(C)N=C(C2)c([n+]([O-])c3)c(C)c(c34)cccc4 -MOL_01_025220,NC1CCCn2c(nc(c2c13)ccc3)NNc4ccccc4 -MOL_01_025221,Cn1ccc(c12)c3c(cc2)c4c(CCC3=N)cc(CN)c(CN)c4CN -MOL_01_025222,Clc1ccc(cc1)C(=O)N(C23)C(CCC2)c4c(C3)nc(O)nc4 -MOL_01_025223,CCC1(CC)C(N)C(CC)=C(N)c(c12)c(N)cc(c2)-c3ccccc3 -MOL_01_025224,Fc1c(F)c(F)ccc1NC(=O)CCC2=Nc(c3C(N24)CC=N4)cccc3 -MOL_01_025225,c1cccc(c12)nc3c(c2C)C4CC(C3)N=C(C4)C(N)N -MOL_01_025226,CCc1ccc(cc1)NC(=O)C(C2)Cc(c23)nccc3-c4cccc(c4)C(=O)N -MOL_01_025227,CCCC1C(=O)N=C(N)N1C(=O)CCc2ccccc2 -MOL_01_025228,c1ccc(c12)n3c(c2)c(N)n(nc3CC)CC(N)NCCCN(C(C)C)Cc4ccccc4 -MOL_01_025229,NCc1ccc(cc1)-c2nnc(C)c(C(C)N)c2-c3ccc(CN)cc3 -MOL_01_025230,CCc1ccc(cc1)C2C(CN)=C(N)CC(=C23)c4c(NC3)c(NC)ccc4 -MOL_01_025231,CNc1cccc(c12)C3=C(CN2)C(C(=C(C3)N)CN)c4ccc(C)cc4 -MOL_01_025232,N=C(O)CCCC(c(c12)cccc2)C(C1)NC(=N)C(N=3)=CC(C34)=CC(Cl)=C4Cl -MOL_01_025233,NC(=N1)CCC(CCC2)C12c3cc(ccc3C)NC(=O)c4ncccc4C -MOL_01_025234,CC(C)CCc1ccnc(c12)cc3c2ccn(c3N)-c4ccc(CN)cc4 -MOL_01_025235,c1cccc(c12)CC(C)N2C(=N)COC(=N)c3nnc(N)c(c34)cccc4 -MOL_01_025236,NCc(cc1)ccc1C(c(c23)ccc(C)c2)c4c(C3)nc5c(c4N)CCCC5 -MOL_01_025237,NC(=N1)CCC12c3c(CC(C2)(N)N)ccc(c3)-c4cncc(F)c4 -MOL_01_025238,CCNc(c1)ccc(c12)NC(=NC2)C(=C(C)C(C34)CCC4)C(=O)N3CCN(C)C -MOL_01_025239,CN1CCN(CC1)C(=O)c2ccc(c(c2)-c3ccccc3)NC(=O)C4=CC=C(C4=5)C(=O)N=CN5 -MOL_01_025240,Cc1cccc(c12)nc(N)n(c2=O)C3CCCCCC3=O -MOL_01_025241,Cc1ccccc1-c(n2)cn(c23)c(N)cc4c3cc(Cl)cc4 -MOL_01_025242,NCCc(nn1C)c(c12)nc(nc2N)-c3cccc(Cl)c3 -MOL_01_025243,c1cccc2c1n(c(c23)NCC(C)C3)CNc4ccc(N)nc4 -MOL_01_025244,CC(C)CNC(=N)C(=C(N1)C)C(N(C=12)C(=N)CCC2)c3ccc(cc3)C(=N)NN -MOL_01_025245,c1cc(Cl)cc(c12)C(C)=C(C(=C)N2CCN)C(=C)Cc3ccc(cc3)C(=C)CNCN -MOL_01_025246,Cn1ncc(c12)CCCCc3c(cc(F)cc3)CCc4c(N)ncc2c4 -MOL_01_025247,Cc(n1)cc(C)n(c12)nc(n2)CCC(O)c3cc(C)n(c3C)CC4CCCC4 -MOL_01_025248,c1cccc(c12)nc(n2C(C)OCC)C(O)Cc3ncc(C)c(OC)c3C -MOL_01_025249,C12CCN(CC1)CC2n(c3)c(=N)c4cccc(c4c35)C(=C5)c6ccc(CN)cc6 -MOL_01_025250,c1cccc(c12)N(C(C2)C(=N)N)C(=N)C(C)CCC(=N)c3ccccc3 -MOL_01_025251,CCC(=O)Nc1cc(ccc1F)NC2(CC2)C(=O)NC(C=3)=Nc(c34)ccc5c4=CN=N5 -MOL_01_025252,NCc1ccc(cc1)-c2cn(cn2)C(C3=O)=NC(=O)c(c34)cccc4 -MOL_01_025253,CNCn1cc(cn1)-c(c2)cc(NC)c(c23)c4c(C3(C)C(C)(C)C)cccc4 -MOL_01_025254,Cc1cccc(n1)NC(=O)C(c2ccccc2)NCc(c3)ccc(c34)NC(=O)CC4 -MOL_01_025255,CNc1ccc(cc1)-n(c(=N)c(c23)cccc3)c(=N)n2CC(=N)Nc4cccc(c4)NC -MOL_01_025256,c1cccc(c12)cc3c(n2)c(cn3C)CCc4ncccc4-c5ccncc5 -MOL_01_025257,c1cccc(c12)c3c(c(N)n2CC)cc(c3)C(N)N4CCCC4 -MOL_01_025258,c1ncn(c12)CCN(C2)C(O)c3c(n(C)nc3C)Cc4cccc(Cl)c4Cl -MOL_01_025259,Cc1ccc(n12)ncc(c2O)C(O)N3CCCc(c34)cccc4 -MOL_01_025260,NCc(c1)c(CN)ccc1C(c(c2=3)ncnc2=C)=C(C3)c4ccc(F)cc4 -MOL_01_025261,NC(N)c1cccc(c1)-c2ccnc(c23)CC(C3)(N)C(N)CCC4CCCCC4 -MOL_01_025262,c1cccc(c12)c3c(c(N)n2CC)cc(c3)C(N)N4CCN(C)CC4 -MOL_01_025263,c1ccccc1C(O)CN(C)Cc(c2)cc(c23)c(N)c(cn3C)C(N)NCc4ccc(Cl)cc4 -MOL_01_025264,NCc(c1)c(CN)cc(c12)C(=C)N(CC(C)C)C=C2C(=C)N(C)c3cccc(C(F)(F)F)c3 -MOL_01_025265,n1cccc(c12)c(nn2C)Cc3cnccc3C(=O)O -MOL_01_025266,C1CCCCC1CN(C)CC(C2)C(C)CN(C(C)C)C(=O)c(c23)cccc3NC(=O)c4ccncc4 -MOL_01_025267,CCc1cc(N)ccc1C(N=2)=NC(=O)C(C23)=C(N=C3)c4cccc(F)c4 -MOL_01_025268,Cc1ccccc1N(CC2)CC(C=CC(=N3)N)C23c4ccc(F)cc4F -MOL_01_025269,c1cccc(c12)CC(C(=N)N(C)C)N2C(=N)CCN3CCC(CC3)c4ccccc4F -MOL_01_025270,CCOC(=O)C(C=1)=C(O)C(C12)=CC(=O)N2c3ccccc3 -MOL_01_025271,CC=1C=Cc(c12)c3c(cc2C)=CC(=N)C(=C3C)CC(=N)NCc4ccccc4CN -MOL_01_025272,NCc(n1)c(C)cc(c12)ncc(Cl)c2CCN3CCC(CC3)NCc(c4)ccc(c45)CNC(=O)N5 -MOL_01_025273,c1cc(F)cc(c12)c(c(N)n2CC(C)=N)Cc(n3)ccc(c34)cccc4 -MOL_01_025274,c1ccnnc1-c2nnc(n2C)CCCCN(CC3)CC34CC4c5ccc(C(C)(C)C)cc5 -MOL_01_025275,Cc1cccc(c1C)NC(N)c(c2N)cnc(n23)cc(n3)N4CCCC4 -MOL_01_025276,Oc1ccc(cc1)-c2nc(C3CCOCC3)nc(c24)ccc(n4)C(O)O -MOL_01_025277,CCC(CC)c1ccc(C)c(c12)nc(c(c2)C)-c3c(CN)cc(CCN)cc3CN -MOL_01_025278,c1cccc(c12)n(cc2CC)CC(=N)C3CNNc(c34)cccc4 -MOL_01_025279,Cc1cc(C)cc(c1)Cn2c(=N)cc(N3CCCC(N)C3)n(c2=N)Cc4cc(F)ccc4CN -MOL_01_025280,NC1CN(CC1)c(n2)c(C)cc(c23)c(C)c(cn3)C(=O)N -MOL_01_025281,c1ccccc1-c2ccc(cc2)C(CC3)=Nn(c34)c(nn4)-c5cccnc5 -MOL_01_025282,c1cccc(c12)ccn2C3C(CN)=C(N)Cc(c34)ccc5c4cccc5 -MOL_01_025283,CCOc1ccc(cc1)-c2cc(C(F)(F)F)c(CN)c(n2)CCC(N)Nc3ccccc3 -MOL_01_025284,C1=CC(=C)C=CC12C(c3ccccc3)=C(N)C(=C)C2C(C(=C)NC(C)(C)C)c4ccc(CN)c(C)c4 -MOL_01_025285,Cc1ccc(C(C)O)c(c12)cc(cn2)NC3CCNC3 -MOL_01_025286,C1CCCN1CCN(C2=O)C(=O)N=C(C2=3)c4c(N3)cccc4 -MOL_01_025287,COc1cnc(cn1)C(=O)Nc2ccc(C)c(c2)C3(C)N=C(N)CCC3=O -MOL_01_025288,NCc(c1)c(CN)cc(c12)N=C3C2=C(C=NC3=N)c4ccc(N)cc4 -MOL_01_025289,Cc1cc(CN)ccc1-c2ncncc2-c3ccc(CN)cc3 -MOL_01_025290,c1cccc(c12)nc(C(=N)O)c(=N)n2C(CC34)CC(CCC3)N4C56CCCC(C5)CCC6 -MOL_01_025291,NCc1cccc(CN)c1C2CCCC(N)N2Cc3cccc(c3)N4CCCC4 -MOL_01_025292,O=c1n(C)ncc(c12)N(CCCC2)C(=O)CNCC(O3)COc(c34)cccc4 -MOL_01_025293,N=C1CC(N)(N)Cc(c12)nc3n(c2N)c4c(n3)cccc4 -MOL_01_025294,Clc1c(F)ccc(Cl)c1C(C)Cc2cc(cnc2N)-c3cnn(c3)C4CCCNC4 -MOL_01_025295,C1CCOCCN1c2ncnc(C)c2CCc3ccc(N)nc3 -MOL_01_025296,CCCCCC(=C)NCC1CCN(CC1)c2ncnc(C)c2CCc3ccc(N)nc3 -MOL_01_025297,C1OCC(N)=NC1(C(C)C)c2cc(ccc2C)Nc3ncccc3OCC(C)C -MOL_01_025298,c1ccccc1-n2c(nc(=O)cc2N)CCC(=O)N(C3CCCCC3)C4CCCCC4 -MOL_01_025299,CC1CCCN(C1)Cc(c2)ccc(c23)Cc4c5c3nnc(N)c5ccc4 -MOL_01_025300,COc1ccc(cc1OC)C(CC2)=Nn(c23)c(nn3)-c4ccccc4OC -MOL_01_025301,Cc1cccc(c1)C(N)Nc2ccccc2C(N)OCc(n3)cc(N)n(c34)nc(c4)C5CC5 -MOL_01_025302,Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)CCc3cc(=O)n(C)c(c34)cccc4 -MOL_01_025303,CCc1ccc(cc1)Nc(c2Cl)c(CN)c(C)c(c23)c(N)nc(n3)N -MOL_01_025304,Cn1c(=O)n(C)c(=O)c(c12)c(c(cn2)NN)CNc3ccccc3N -MOL_01_025305,NOc1ccc(c(c1)ON)CC(N)c2cc(nc(c23)cccc3)-c4ccncc4 -MOL_01_025306,NOc1ccc(cc1ON)C(CC2)=Nn(c23)c(nn3)-c4cccnc4 -MOL_01_025307,CC1(C)CCC(N)=NC1(C(C)C)c2cc(ccc2C)NC(=O)c3ncc(CN)nc3C -MOL_01_025308,C1CCCCN1CC2=C(C(=N)CCC)C(NC(N2)=N)c3cc(C)ccc3C -MOL_01_025309,CNc1ncnc(c12)cc3c2ccn(c3O)-c4ccc(CN)cc4 -MOL_01_025310,CC(=C1)CC(N)=NC1(C)c2cc(ccc2C)NC(=O)c3ncc(CN)cc3C 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-MOL_01_025326,NCc(cc1)cc(c12)cc(C(N)CCC)n2C3CCN(CC3)CCc4ccccc4 -MOL_01_025327,CCCCc1ccc(cc1)-c2cc(C(F)(F)F)c(CN)c(n2)CCC(=O)O -MOL_01_025328,CCNC(=N)C1(C(=N)NCC)C(C(C)(C)C)=C(C)c(c12)cccc2 -MOL_01_025329,Cn1c(Cl)c(C2CC2)c(Cl)c1C(=N)CCc3ccccc3OCC(N)N -MOL_01_025330,CCc1c(C)cnc(c1C)CC(O)c(n2C(C)CC(=O)C)nc(c23)cccc3 -MOL_01_025331,C1CCNC1C(=NC2=O)N=C(C2=3)c4c(C3)ccc(Cl)c4 -MOL_01_025332,Nc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)Cc4ccc(C(F)(F)F)nn4 -MOL_01_025333,Cc1ccc(nc1)C(C2N)CCc(n23)nc(c3)COc4ccccc4 -MOL_01_025334,C=c1cc(CN)c(=C)c(c12)n(C)c(C)c2CCc3cccnc3 -MOL_01_025335,CCCNC(=O)C1CCN(CC1)c(n2)nc(N)c(c23)cc(CC)c(c3)CC -MOL_01_025336,CC(C)c1c(CN)c(N)nc(c1CN)CCC(=O)c(c(=O)o2)cc(c23)cccc3 -MOL_01_025337,c1ccccc1CCNc2ccc(C)n(c2=N)CC(=N)NCc3cc(Cl)ccc3-n4cnnn4 -MOL_01_025338,c1cccc(c12)c(ccc2CC)CN3CC(c(c34)cccc4)C(=N)N5CCCNCC5 -MOL_01_025339,CNCc(c1)c(CNC)cc(c12)CCC(c3n2ccc3)c4cc(CN)ccc4F -MOL_01_025340,CCOc1ccc(cc1)-c2nnc(o2)C(Cc3ccccc3)n(c4N)cc(c45)cccc5 -MOL_01_025341,Clc1cnc(cn1)C(=O)Nc2ccc(C)c(c2)C3(C)N=C(N)CCC3(C)C(C)(C)C -MOL_01_025342,n1cc(C)ccc1N(C2N)C(c(cc3)ccc3C)c(c24)c(N)c5c(c4)cccc5 -MOL_01_025343,COc1ccc(cc1)-c(oc2O)nc(c23)ccc3-c4ccc(OC)c(c4)OC -MOL_01_025344,Cc1ccccc1C2=CC(O)C(=O)C(C)c(c23)n(C)nc3C -MOL_01_025345,CCc1ccc(n1C)-c(c2)ccc(c23)C=C(C)OC3(N)CN -MOL_01_025346,c1cccc(c12)c(NCCCN)c3c(n2C)c4c(n3)cccc4 -MOL_01_025347,Fc1ccccc1C(CC(C)=N)CC(=N)c2ccc(CN)c(n2)-c3cccc(F)c3N -MOL_01_025348,c1cccc(c12)ccc(C)c2C3=NN(C4=NC(=O)CC4)C(C3)c5ccc(CN)cc5 -MOL_01_025349,CCc1ccc2Cc(cccc3)c3c(c2c14)n(c4)CCC(CN)CN -MOL_01_025350,NCc1ccc(n12)c(ncn2)NC(=NC3)CC34C5CCN(C4)CC5 -MOL_01_025351,CCC(=N)N1CCc(c12)cc(cc2)CNCCC(=N)NC3CCCc(c34)cccc4 -MOL_01_025352,CC(=O)CCC(CC1)=C(C(=O)C)N(C12)C(=O)C2NC(=O)CCn3nc(C)c(Cl)c3C -MOL_01_025353,C1CC1Cn(c2O)c(O)nc(c23)nc(n3)-c4cnn(c4)Cc5cccc(C(F)(F)F)c5 -MOL_01_025354,CCc1c(C)nc(N)n(c12)c(nn2)CCC(=O)Nc3ccccc3OC -MOL_01_025355,CC(C)Nc(c1)ccc(c12)NC(C(C(N)N)=C2CCCCC)c(c3)ccc(c34)NNN4 -MOL_01_025356,c1cccc(c12)nc(C)n2C3CCC(CC3)C(C)C(C)c4ccc(CN)c(c4)CN -MOL_01_025357,CNC1CC(N)c(c12)c(N)c3c(c2)c4c(C3)cc5c(c4)cccc5 -MOL_01_025358,C1CCCCC1C2N(CCc(c23)cccc3)C(=N)CNCCc4ccccc4NN -MOL_01_025359,CCc1ccccc1Cc2c(nc(nc2NCC)-c3ncccn3)CCCCc4ncccn4 -MOL_01_025360,c1ccc(N)c(c12)n(CN)cc2C(=N)N3CCC(CC3)c4cccc(c4)CN -MOL_01_025361,CCc1ccc(nc1)-n2nc(C(C)C)c(CN)c2NCC3CCCC3 -MOL_01_025362,c1ccccc1CCc2ncnc(c23)n(cn3)CCCN4CCN(CC4)c5ccccn5 -MOL_01_025363,Clc1c(F)ccc(Cl)c1C(C)Cc2cc(cnc2N)-c3cnn(c3)C(C4)CC45CNC5 -MOL_01_025364,Fc1cc(ccc1)Cc2c(NC)nn(c23)c(C)c(c(n3)C)CN(C)C -MOL_01_025365,CNNC=1C(NC)=Cc(c12)nc(nc2=C)-c3ccc(C)c(C)c3 -MOL_01_025366,CCc1ccc(cc1)CNC(N)CN(C2N)c(cc(C)cc3)c3Cc(c24)nccc4 -MOL_01_025367,c1cccc(c12)c(cc(c2)O)OCc3cn(nn3)CCN(C(O)C4O)c(c45)cccc5 -MOL_01_025368,Nc1cc(N)n(c12)c3c(cc(Cl)cc3)C(=CC2)c4ccccc4Cl -MOL_01_025369,CCc1c(F)cc(cc1F)-c(cc(c23)nccc3)nc2CCC4CNC(=O)C4 -MOL_01_025370,c1ccccc1-c(n2)cc(n23)n(nc3N)CC(=O)c4ccccc4 -MOL_01_025371,c1ccccc1NC(N)CCc2cccc(c23)CCC(N3)N -MOL_01_025372,FC(F)(F)c1cc(ccc1)CC(C)(C)CCC(O)c2ccc(O)c(c23)CC(CO3)N -MOL_01_025373,Cc1nc(N)c(C(=O)OCN)c(n1)-c2ccccc2 -MOL_01_025374,NCc1cccc(c1)-c2nnc(n23)CCC(=N3)c4cc(CN)ccc4CN -MOL_01_025375,c1cccc(c12)CCC(C(=O)N2C)NC(=O)c3ncn(n3)Cc4ccccc4 -MOL_01_025376,CN(C)C(O)c1cc(ccc1F)-c2ncnc(C)c2CCc3ccc(N)nc3 -MOL_01_025377,C1OCC(N)=NC1(CC)c2cc(ccc2C)NC(O)c3ncc(Cl)cc3Cl -MOL_01_025378,c1cccc(c12)C(N)NCC(N2)c(c3)c(CCCCC)nc(c34)c(C)ccc4 -MOL_01_025379,CCNC(=N)c1c(C)n(C)c(c12)ccc(c2)NCC(N)CNCCc3ccccc3 -MOL_01_025380,NCc1cccc(c1)CNC(O)C(O)Nc(c(c23)CCC3)n(n2)-c4ccccc4 -MOL_01_025381,Cc1ccccc1CCCN(C(=N)N2)C(=N)C23c4c(CC3)cccc4 -MOL_01_025382,c1ccc(c12)n3c(c2)c(N)n(nc3CC)CCCC(N)Nc4ccc(C)c(C)c4 -MOL_01_025383,c1cccc(C2=N)c1C(=N)C23C(C)=C(CN)C=4C(CCC4)C3c5ccccc5F -MOL_01_025384,c1cccc2c1n(c(c23)NCC(C)C3)CNNNNC(Cl)N -MOL_01_025385,NCc1cn(C)c(CC)c(c12)nc3c2cccc3 -MOL_01_025386,Cc1ccc(cc1)-n(cc(C(C)=N)c2=N)c(c23)cc(c(F)c3)N4CCNCC4 -MOL_01_025387,C1CCCC1N(C(C23)CCC3)C(=O)C(=C2C)C(N4)=NCc(c45)cc(cc5)NCN -MOL_01_025388,CCCCc1ccnc(n1)N2CCN(CC2)c(n3)nc(N)c(c34)cc(CN)c(c4)CN -MOL_01_025389,Cn1nccc1-n2cc(c(c23)cccc3)C(=O)CC(CC45)CC(N4)CCC5 -MOL_01_025390,C1CCCc(n12)nc(=N)c(c2O)C(c3ccc(F)cc3)c(c4=N)c(O)nc(n45)CCCC5 -MOL_01_025391,C1CCCc(c12)nc(nc2N)CN(Cc3ccccc3F)C(N)CCc4ccccc4 -MOL_01_025392,NCc1cccc(CN)c1C2CC(C)C(=N)N2Cc(n3C)cc(c34)cccc4 -MOL_01_025393,CC1=CC=CN(C1=2)C(C)(CC(N2)=N)C(=N)N(Cc3ccccc3)CC(=N)NC4CCCC4 -MOL_01_025394,NOc1cccc(c1)CCc2ncnc(c23)c(C(=O)N)ccc3 -MOL_01_025395,Oc1n(C)cnc(c12)cc(c2C)C(O)N3CCCCC3 -MOL_01_025396,c1ccccc1-c(c2)cc(c23)nc(n(C)c3N)CCc4cccc(CN)c4CN -MOL_01_025397,COc1ccc(cc1)C2CCC(CC2)C(O)Cn(c3O)c(O)nc(c34)ccc4 -MOL_01_025398,c1cccc(c12)CC(C(=N)N(C)C)N2C(=N)CCN(C3)Cc4cccc(c4c35)ccc5 -MOL_01_025399,CCCCc1ccc(NC)cc1-c(n2)nc(C)c(c23)c(C)nn3C -MOL_01_025400,NCc1c(CN)cc(cc1CN)C2c(cc3c(c4)CNC3)c4C(C(=C25)CCC5=C)Cc6ccc(F)cc6 -MOL_01_025401,Cn1cc(cn1)-c2cc(C(C)(C(C)(C)C)C(C)(C)C)cnc2N3CCN(CC3)Cc4ccc(N)nc4 -MOL_01_025402,CCOc1ccccc1NC(=O)C(CC(C)C)NCc(c2)ccc(c23)N(CC3)C(=O)C -MOL_01_025403,CC(=N)c(c1=N)cn(C2CC2)c(c13)cc(c(F)c3)C4CCC(CC4)CCCCN -MOL_01_025404,Fc1cc(ccc1)CCc(n2)n(-c3ccccc3)c(=N)c(c24)cn(n4)CC5CC5 -MOL_01_025405,COc1ccc(cc1)C(O)CCC(O)CCc2c(C)cc(C)cc2O -MOL_01_025406,Cc1ccc(nc1)N2C(N)CCC2c3c(C)cccc3Cl -MOL_01_025407,CCc1ccc(cc1)-c(n2)cc(n23)C(=N)N(C(C3)=N)CCc4ccc(F)cc4 -MOL_01_025408,Fc1cccc(F)c1CC(=O)CC(CC)C(=O)CCCC(=O)c2ccccc2OC -MOL_01_025409,NCC(=CC=1)C(=C)C=C(C12)C(N(C)CCCNC)CCc3c2c(CN)c(CN)c(c3)CN -MOL_01_025410,CC(C)(C)Nc(c1C)c(CN)c(C)c(c12)c(N)nc(n2)N -MOL_01_025411,c1ccccc1-n2c(nc(=O)cc2N)CCC(=O)NC3CCCCC3 -MOL_01_025412,Cc1ccccc1CC(=O)c(c(=O)n2CCN)c(C)c(c23)cccc3 -MOL_01_025413,CC(=O)Nc1cccc(c1)-c2ccnc(c23)CC(C3)C(=O)NCc4ccc(F)c(F)c4 -MOL_01_025414,CNCn1cc(cn1)-c(c2)ccc(c23)c4c(C3(C)C(C)(C)C)cccc4NC -MOL_01_025415,CC(C)c1ccc(cc1)NC(=N)C(N2)Cc(c23)c(ccn3)-c(c4)ccc(c45)NNN5 -MOL_01_025416,CCOC(=C)CN1C(=C)NC(C(=C1C)C(=C)ON)c2cccc(C(F)(F)F)c2 -MOL_01_025417,C1COCCC1c2nc(cn(c23)cc(n3)C(C)(C)C)-c4cccc(O)c4 -MOL_01_025418,c1ccccc1C(C)CN(C)Cc(c2)cc(c23)c(N)c(cn3C)C(N)NCc4ccc(Cl)cc4 -MOL_01_025419,n1ccnc(c12)c(C)c3c(c2C)C(O)N(C3O)c(c4)ccc(c45)CCC5 -MOL_01_025420,C1CC(C)CCC12c3c(c(C)nnn3)Cc4c2c(Cl)nnn4 -MOL_01_025421,CCc1ccc(cn1)NC(=O)C(C2)Cc(c23)nccc3-c4ccc(cc4)NC(=O)C -MOL_01_025422,CCCCCc(n1)cc(n12)nc(cc2N)CCC(N)c3ccccc3NC(N)c4ccc(C)cc4 -MOL_01_025423,N=C(N)c1c(N)c(C)nc(c1C(=N)N)-c2cccc(c2)Cc3ccccc3 -MOL_01_025424,NOc1cccc(c1ON)C(N)Nc2ccc(cc2)-c(n3)cn(c34)cccn4 -MOL_01_025425,c1cccnc1-n2nc(C)c(c2O)C(O)Nc3ccccc3C(C)(C)C -MOL_01_025426,C1CCNC1c2c(CN)c(C)nc(c23)c4c([nH]3)cc(cc4)CN -MOL_01_025427,c1ccccc1-n2n(C)c(C)c(c2=N)NC(=N)COC(=N)C34CC5CC(C3)CC(O)(C5)C4 -MOL_01_025428,CNc1cc(N)cc(c12)ncc(c2N)-c3cc(N)c(N)c(c3)CCC(C)C -MOL_01_025429,NCc(c1)c(CN)cc(c12)CCc3c2cc(nc3N)Cc4cccc(N)c4 -MOL_01_025430,c1cccc(c12)c(cc(n2)C)CCc3ccc(cc3)C4(N5CCN(C)CC5)C(O)NC(O)NC4O -MOL_01_025431,CCNC(N)c1c(C)cc(n12)nc(cc2N)Cc3cccc(CN)c3C -MOL_01_025432,C1CCCCN1C(N)c(c2)ccc(c23)c4n(n3)c5c(CC4)cccc5 -MOL_01_025433,Fc1ccc(cc1)-c(c2C(=O)NC)cn(c23)ccc(c3)-c4cccc(c4)C(=O)CN -MOL_01_025434,COc1ccc(cc1)N(C(=O)N2)C(=O)C2(C(F)(F)F)CCc3ccccc3 -MOL_01_025435,CCCc1ccccc1N2CC(CC2=N)C(=N)N(C3)CCc(c34)cccc4 -MOL_01_025436,OCCCCCC(=NC1=N)N=C(C1=2)N=C(C2c3ccccc3)C(=N)c4ccccc4 -MOL_01_025437,O=C(C)N1CC(C)Oc(c12)ccc(c2)CNc3ccc(Cl)cn3 -MOL_01_025438,C1CC1CN(CCN)C(=O)C(C)N2CCC(C2=O)NCc(c3)ccc(c34)cc(Cl)cc4 -MOL_01_025439,Nc(c1)cc(Cl)c(c12)OCC(C2)N -MOL_01_025440,C1CC(N)=Nn(c12)c(nn2)-c3ccccn3 -MOL_01_025441,Cc(n1)ccc(c12)ccc3c2CC(N)=C(CN)C3c4ccc(Cl)cc4 -MOL_01_025442,CCc1ccc(cc1)CNC(N)c(c2N)cnc(n23)cc(n3)N4CCCCCC4 -MOL_01_025443,C1CN1CC(C)CCCCCCn2ccc(c23)C(=N)c4c(C3N)cncc4 -MOL_01_025444,NCCC(CCN)c1cc(N)nc(c12)c(ccc2)-c3ccc(Cl)cc3Cl -MOL_01_025445,CC(C)NC(=O)CCc1c(CCC(=O)NC(C)C)cn(c12)CCc3c2ccc(c3)CN -MOL_01_025446,CNc1ccc(cc1)-n2cc(nn2)CN3C(=O)CCc(c34)ccc(Cl)c4 -MOL_01_025447,CN1CCN(CC1)C(=O)c2cc(C(C)C)c(cc2)NC(=O)C3=CC=C(C3=4)C(=O)N=CN4 -MOL_01_025448,CCC1CC(=O)N(C1)c2ccc(c(F)c2)-c(c3)ccc(c34)CCCC(=O)N4 -MOL_01_025449,Cc1c(CN)ccnc1CC2CCC(C)N(C2)C(=O)c3ccncc3-c4ccccc4 -MOL_01_025450,Nc(c1)ccc(c12)N(C(O)C2O)CCCCn3cnc(c3)COc4cc(O)cc(c45)cccc5 -MOL_01_025451,CCC(=O)c1ccc(nc1)Cc2c(C3CCC3)ccc(c2C)-c4cnc(N)cn4 -MOL_01_025452,CCOC(=O)CNC(=O)Cn(c1=O)cnc(c12)n(cn2)-c3cccc(Cl)c3 -MOL_01_025453,c1cccc(c12)c(nn(c2=O)C)C(=O)Cc3cc(=O)n(C)c(c34)cccc4 -MOL_01_025454,NCc(c1)ccc(c12)CNc3n2ncc3C(N)CCc4ccccc4CN -MOL_01_025455,CC(C)n1nc(cc1)C(O)Nc2ccc(C)c(c2)C3(C)N=C(N)OCC3(C)C -MOL_01_025456,c1ccccc1-n2n(C)c(C)c(c2=N)NC(=N)CCCc3c(F)cccc3Cl -MOL_01_025457,CC1CCCC(C)N1CCCNC(=N)c(n2C)cc(c23)c(=N)n(C)c4c3cccc4 -MOL_01_025458,CCNc1cc(CC(=N)N)ccc1-c2ccc(F)c(c23)CCN(C3)C(=N)NCc4ccccc4F -MOL_01_025459,C=C(C)c(c1)ccc(c12)nc(c(n2)C(C)C(N)N)-c3ccc(CC)cc3 -MOL_01_025460,c1ccc(CN)c(c12)CCN2C(N)C(C)(C)CCc3ccc(Cl)cc3F -MOL_01_025461,CCCCc1cc(C(=O)C)c(=O)n(c12)cc(F)c(c2C)C3CCC(N)C3 -MOL_01_025462,O1COc(c12)ccc(c2)NC(=O)Cn3c(CCC(=O)NC4CCCC4)nnc3-c5ccncc5 -MOL_01_025463,c1cccc(c12)cc(C)c3n2c(nn3)CCC(N)Nc4cccc(C(F)(F)F)c4 -MOL_01_025464,Cc1ccccc1C(O)c2c(C)nn(C)c2NC(O)C(C)(C)N3CCCC3 -MOL_01_025465,c1cccc(c12)n3c(n2)CN(NC3C)c4ccc(CN)c(c4)CN -MOL_01_025466,Nc1c(O)cccc1CCC(N=2)=NC(=O)C(C23)=Cc4c3cc(Cl)cc4 -MOL_01_025467,c1cccc(c12)n3c(nc2O)cc(n3)C(O)N4CCC(CC4)CN5CCOCC5 -MOL_01_025468,Cc1cc(=O)oc2c(C(O)CC(C3)C)c3c(c4c12)C=CC(C4)(C)C -MOL_01_025469,C1CCCc(c12)ccc(c2)-c(c3N)c(C)nc(c34)cc(c(Cl)c4)CN -MOL_01_025470,Cc1cncc(c1)NC(=N)n2ccc(c23)cc(cc3)Cc4ncnc(c45)CNCC5 -MOL_01_025471,Cc1ccc(cc1)-n(c2O)nc(C(C)O)c(c23)ccc3N -MOL_01_025472,c1ccnc(c12)CCN2C(=N)CC3NNc(c34)c(Cl)cc(Cl)c4 -MOL_01_025473,Clc1cccc(Cl)c1-n(c(n2)CN)c(=N)c(c23)cccc3 -MOL_01_025474,Cc1cc(C)nc(n1)CCc2nnc(o2)CCC(=O)N3CCCc(c34)cccc4 -MOL_01_025475,Cc1ccc(cc1)CC(=O)CC2C(=O)c(cccn3)c3Cc(c24)ccc(Cl)c4 -MOL_01_025476,CCCC(=O)c1c(c(C)n(C)c1C)CN2CCCC(C2)C(=O)Nc3cccc(Cl)c3 -MOL_01_025477,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3nc(ncc3C)N(C)CC4CC4 -MOL_01_025478,Cc1c(C)cc(c12)ncn(c2O)CC(O)NCCCC(O)N(CC3)CCC34CCCC4 -MOL_01_025479,FC(F)(F)c1cc(F)ccc1C(=N)NC2C(C(C)C)N(C=CC2=N)C(=N)Nc3ccccc3 -MOL_01_025480,CNc(c1)cc(NC)c(c12)nc3c2n(C)c4c(c3)cc(C)cc4 -MOL_01_025481,Cc1cccc(c1)Cc2ccc3C(=C(C(N4)N)CN)C=4c(c3c25)ccc5 -MOL_01_025482,CCc(n1)ccc(c12)ncc(F)c2C(C)CN3CCC(CC3)NCc(nc4)cc(c45)CCCC5 -MOL_01_025483,c1ccc(CN)c(c12)nc(C)c3c2C(CC3)c4ccccc4CN -MOL_01_025484,Cc1cnc(c(C)c1CN)CC(C)C(N=2)=NC(C23)=C(C=C3)c4ccccc4 -MOL_01_025485,Cc1ccc(NF)cc1Cn2ccc(c2)-c3cnn(c34)ccc(n4)Cl -MOL_01_025486,Cc1cc(N)nc(c12)c(ON)cc(c2)-c3ccncc3 -MOL_01_025487,CCOC(=O)C(C)n(c1=O)cnc(c12)n(cn2)-c3ccc(ON)cc3 -MOL_01_025488,c1cccc(c12)cc(n2C)C(=N)Nc3ccccc3C(=N)NC(C(=N)N)Cc4ccccc4 -MOL_01_025489,Cc1cccc(c1C)-c(c2NCC(C)C)c(C)nc(c23)nccn3 -MOL_01_025490,c1ccncc1-c(nc(c23)ccc(c3)C)cc2C(N)Cc4ccc(CN)c(c4)CN -MOL_01_025491,CCc(c(=O)n1)c(C)c(c12)cn(cc2)CC(=O)C -MOL_01_025492,c1ccnc(c12)ncn2C(C(C)C)c(c3CN)ccc(c34)CC(C)(C)C=C4 -MOL_01_025493,CC(C)(C)CC(N)c(nc1)cc(c12)c3c(n2C(N)CC(C)(C)C)ccc(c3)CN -MOL_01_025494,CCCN1CCN(CC1)C(O)CCCNC(O)Cn(c2O)cnc(c23)cc(C)c3C -MOL_01_025495,c1cccc(c12)CC(=C(CC(N)NC)c3n2ccc3)c4ccccc4 -MOL_01_025496,Clc1cccnc1Cc2c(N)nc(N)nc2C3CCC(CC3)c4ccccc4 -MOL_01_025497,Cn1cnc(c12)ccc(c2)-c3nccnc3Cc4ccc(cc4)Nc5ccccn5 -MOL_01_025498,C1CCCCN1Cc2ccc(cc2)C(=C)C3=C(C)C(=C)N(CNCN)C3c4ccc(C)c(c4)CN -MOL_01_025499,c1cccc(c12)cc(N)n2-c3cc(-c4ncc(C)cc4)cc(c3)C(N)NCc5cnc(C)nc5 -MOL_01_025500,Oc(c1)c(Cl)cc(c12)NCC(C)CC2C3CNNNC3 -MOL_01_025501,CCCc1ccccc1NC(=O)C(C=2)=CC(C23)=c4c(=NC3=O)cccc4 -MOL_01_025502,COc1ccccc1-n2cc(-c3ccccn3)cc(c2=N)-c4ccccc4CN -MOL_01_025503,c1ccccc1-c2cc(C(C)=N)cc(c2)CC(=N)c3cn(C(C)=N)c(c34)cccc4 -MOL_01_025504,c1ccccc1Cc2c(NC)nn(c23)cc4c(n3)CCNC4 -MOL_01_025505,NCC(=N)CCc1c(N)c(N)n(c1-n2cccc2)Cc3ccccc3 -MOL_01_025506,NCC(C(=C)C=1)=CC=C(C12)c3c(CCC2NC(=C)N)cc(C)c(C)c3CN -MOL_01_025507,c1ncccc1-c2nnc(n23)CCC(=N3)c4cccc(c45)cccc5 -MOL_01_025508,CNCN1CCN(CC1)CC2CN(O)N(C2)c3ccc(c(C)c3)-n4cc(cn4)-c5ccccn5 -MOL_01_025509,Cn1cncc1C(c2ccc(CN)cc2)CCc3ccc(CN)nc3-c4cc(Cl)cc(Cl)c4 -MOL_01_025510,CCCC(=O)NC1CCC(CC1)CCN2CCN(CC2)c3nccc(c34)CCC4 -MOL_01_025511,CCCCOc1ccc(cc1)-c2cc(C(F)(F)F)c(CN)c(n2)CCC(=O)O -MOL_01_025512,Nc1ccc(cc1)C(CC2=N)Cc(n23)nc(n3)-c4ccc(Cl)cc4 -MOL_01_025513,Cc1ccccc1-c(c2)cc(c23)nc(n(C)c3N)NCc4cccnc4 -MOL_01_025514,Cc1ccc(cc1F)NC(=N)c(c(n2)C)cc(c23)c(=N)n(cc3)Cc4ccc(CN)cc4 -MOL_01_025515,CCCC(O)c1nnn(c12)c3c(cccc3)c(n2)CCC(C)O -MOL_01_025516,CCCC(=O)c1cnc(n12)ccc(c2)-c3cnc(CC)c(c3)NCc4ccc(F)cc4 -MOL_01_025517,Cc(n1)cc(n12)nc(cc2N)COC(N)c3cccc(c3)NC(N)COc4ccccc4C -MOL_01_025518,CCc1ccc(nc1)C2CC2CCc3nc(C)ncc3-c4cc(CC)c(=O)n(C)c4 -MOL_01_025519,Cc1nc2cccc(c2n13)CC(C(C3)N)CC4CC4 -MOL_01_025520,N=C(N)c1ccccc1-c2ccc(cc2)Cn3ccc(c34)C(=N)CCNC4=N -MOL_01_025521,c1ccccc1C(N)C(=N)N(C2(N)C(F)(F)F)N=C(C2)c3ccc(NN)cc3 -MOL_01_025522,NCc(c1C)c(Cl)nc(c12)ccn2-c3ccc(cc3)-c4cccc(c4)CN -MOL_01_025523,N1NC12N3N4N(N2C=C3)C(=C)C(C4=C)c5ccc(CC)cc5CF -MOL_01_025524,Clc1ccc(cc1Cl)C(CC2)=Nn(c23)c(nn3)-c4cccnc4 -MOL_01_025525,Fc1ccc(cc1Cl)NC(N)C(C)(C2)Cc(c23)nccc3-c4ccc(C(N)N)cc4 -MOL_01_025526,C1COCC1Oc(n(c2O)CCC)nc(c23)nc(n3)C4CCCC4 -MOL_01_025527,NCc(c1)c(CN)cc(c12)c(O)n(C3CCCCC3)c4c2cnc5c4ccn5 -MOL_01_025528,Nc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)Cc4cnc(C(F)(F)F)cn4 -MOL_01_025529,c1cccc(c12)CC(C(=N)N(C)C)N2C(=N)CCN3CCC(CC3)c4ccc(F)cc4 -MOL_01_025530,c1ccnc(c12)C(N)c3c(C2N)n4c(cccc4)c3Cc5ccccc5 -MOL_01_025531,ClCCNC(=C)N1C(C12)c3c(C2=C)c(CN)c(CN)c(c3)CN -MOL_01_025532,Cc1ccc(cc1)-c(c2C)nnc(n23)nc4c3cccc4 -MOL_01_025533,n1cccc(c12)CCC(=O)N2Cc3cn(nn3)Cc4ccccc4 -MOL_01_025534,FCC(=C1)CC(N)=NC1(C)c2cc(ccc2F)NC(O)c3ccc(cn3)CN -MOL_01_025535,CCCC(=N)C1CCN(CC1)Cc(nc(c23)cccc3)n(c2=N)-c4ccc(F)cc4 -MOL_01_025536,CC(C)(C)NC(=N)Cn1c(=N)oc(c12)cc(cc2)CN3CCc(c34)cccc4 -MOL_01_025537,CC(C)(C)CC(O)CN(C1O)c(cccc2)c2Nc(c13)nccc3 -MOL_01_025538,Nc1cc(cc(c1)N)Cc(c2=N)cn(CN)c(c23)cc(c(F)c3)N4CCC(N)CC4 -MOL_01_025539,CNc1ccc(cc1)-c(c(c2N)NC(C)(N)N)nc(c23)c(C)cc(c3)C -MOL_01_025540,NCN(C1)NCC12c3c(cccc3)N(CN)C2Nc4ccccc4 -MOL_01_025541,Cc1cccc(n1)CCc2ccc(cc2CN)-c3nn(C)cc3-c4ccncc4 -MOL_01_025542,CC(C)(C)C(O)Nc1cc(ccc1Cl)NC(C)(C)C(O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_025543,NCc1ccc(cc1CN)C(Cc(c23)cccc3)CC(N)N2Cc4cccc(F)c4 -MOL_01_025544,c1cccc(c12)c(cc(=O)n2C)CCC(=O)NCCCN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_025545,COc1ccccc1-c(n2)cc(N)n(c23)cc(n3)-c4ccccc4 -MOL_01_025546,c1ccccc1C2CC2C(=N)N(C3)CCc(c34)c(F)ccc4-c5cc(C6(C(=N)N)CC6)ccc5CN -MOL_01_025547,NOc1ccc(Cl)cc1-c2c(=N)n(ccc2)C(CN3CCCC3)c4ccccc4 -MOL_01_025548,C1NCc(c12)c(CN)c3c(c2)CCN(C)C3C4CC(=N)c(c45)c(c(cc5)CN)CCc6ccccc6 -MOL_01_025549,CNc1cc(ccc1N)C2C(C(=N)NCC)=C(N)Nc(c23)ccc4c3cccc4 -MOL_01_025550,Cc1ccc(cc1C)-c(c2C)nnc(n23)nc4c3cccc4 -MOL_01_025551,CCCCCNc1c(c(O)nc(c12)nccc2)C(O)NCc3ccc(F)cc3F -MOL_01_025552,c1cccc(c12)NC(C(=N)NCC)C(C(=N)NCC)=C2CCCC -MOL_01_025553,FC(F)(F)c1ccccc1C(N)Cc(c(c23)CCC3)n(n2)-c4ccccc4 -MOL_01_025554,Cc1ccc(cc1)CCc(c2)c(N(C)CNC)cc(c23)NC(CC(N3)O)c4cccc(c4)-n5ccnc5 -MOL_01_025555,c1cc(F)cc(c12)NC(C(=O)CC)C2C(=O)CCc3ccc(F)cc3 -MOL_01_025556,CCc1ncnc(N(C)C)c1CCc2cnc(C)c(N)c2 -MOL_01_025557,NCc1ccc(cc1)-c2nnc(n23)CCC(=C3)c4c(CN)cccc4CN -MOL_01_025558,Cc1ccc(C)c(c12)n3c(c(c2)C)nnc3CCc4ccccn4 -MOL_01_025559,c1ccncc1CN(C(N)c(c23)cccc3)C2(CCC4(CO)CC4)c5ccc(Cl)cc5 -MOL_01_025560,CC(C)(C)C(C=C1)=c(c12)cc3c(c2)=CC(=N)C(=C3C)CC(=N)Nc4cccc(c4)C(=N)N -MOL_01_025561,Fc1cc(F)ccc1CNC(O)c(c(O)nc(c23)nccc3)c2NCCc4ccccc4 -MOL_01_025562,CN1C(=N)CCc(c12)cc(c(F)c2)-c3cncc(c3)CCc4cccc(Cl)n4 -MOL_01_025563,COc1cc(OC)cc(c1)C(CC2)=Nn(c23)c(nn3)-c4ccccc4O -MOL_01_025564,c1cn(C)c(c12)cc(C(O)CCC)n2CC(O)Cc3ccc(F)cc3 -MOL_01_025565,COc1cccc(c1OC)C(N)C2CCC(CC2)c3ccc(nn3)-c4ccccn4 -MOL_01_025566,c1ccc(c12)n3c(c2)c(N)n(nc3CC)CC(N)Nc4cc(C)cc(C)c4 -MOL_01_025567,CCCC(=N)C1CCC(c2ccccc2)N1C(=N)c3cn(nn3)CCc4ccccc4 -MOL_01_025568,NCc1cnc(cc1)C(=O)Nc2ccc(C)c(c2)C3(C(C)(C)C)CCCCC(=N3)N -MOL_01_025569,c1cccc(c12)c(N)n3c(n2)cc(n3)CNc4ccccc4F -MOL_01_025570,NCc1cccc(c1)-c2nnc(n23)CCC(=C3)c4ccccc4CN -MOL_01_025571,Cc1ccc(C(C)C)c(c1)OCCCc2nc(nc(n23)cc(n3)N)-c4ccc(ON)cc4 -MOL_01_025572,C1COCCN1C(=N)CN2C(=N)C(C)(C)Oc(c23)ccc(c3)C(=N)NC4CCCC4 -MOL_01_025573,COc1ccnc(c1OC(F)(F)C(F)F)CC(O)C(N=2)=NC(C23)=CC=C3 -MOL_01_025574,CCC(C)c(c1)ccc(c12)CCc3c2nc(C(N)N)cc3N -MOL_01_025575,Cc1ccc(cc1)CCc2cn(c(c23)cccc3)CCNC(=O)c4ccccc4CN -MOL_01_025576,OC1CC(CC1)Oc(n(c2O)CCC)nc(c23)nc(n3)C4CCCC4 -MOL_01_025577,CCC(=O)CN1C(=O)C(C)(C)Cc(c12)ccc(c2)C(=O)Nc3ccccc3F -MOL_01_025578,C=CC1=NC(=NN(CC)N1C)c2nnnnc2C(=C)CCC -MOL_01_025579,NCn(c1)ccc(c12)nc(c2)C(=O)NCCc3ccccc3 -MOL_01_025580,CN(C)c1cccc(c1)C(C(C2=3)=CN(CN)N(C3)CN)N(CC2)CCCCCCCN -MOL_01_025581,c1cccc(c12)N(C(C)(C)CC2C)C(=N)CN(C3=N)C(=N)c(c34)cccc4 -MOL_01_025582,CC(=N)Nc1ccc(cc1)-c2ccnc(c23)CC(C3)(C)C(=N)NCCCc4ccc(CN)cc4 -MOL_01_025583,CCc(n1)cc(n12)nc(cc2N)COC(N)c3ccccc3NC(N)C4CCCCC4 -MOL_01_025584,CCCCc(n(C)c1=N)nc(c12)ccc(c2C)C(=N)NCc3ccc(F)cc3 -MOL_01_025585,c1cccnc1N2CCN(CC2)C(=N)CCC3CCCN(C3)C(=N)C4(CC4)c5ccccc5 -MOL_01_025586,c1ccccc1C=2C(CN)=CC(C23)=NN=C3N4CCC(CC4)COCCN5CCCC5 -MOL_01_025587,CCc1ccc(CN)cc1-c(c(N)c2C)nc(c23)cccc3 -MOL_01_025588,c1cccc(c12)n3c(cc2C)nnc3CCC(=O)N4CCCCC4 -MOL_01_025589,c1ccccc1-c2c(=N)n(-c3ccccc3)c(nc2N)CCCN4CCOCC4 -MOL_01_025590,CNc1ncc(cc1)CCc2c(ncnc2CC)-c3ccc(c(C)c3)C(N)N4CCN(C)CC4 -MOL_01_025591,c1ccccc1C(=N)c(n(c23)ccc(c2)C(C)=N)c(c3)-c4ccc(CN)cc4 -MOL_01_025592,Fc1ccc(cc1)C(N)C2CCN(CC2)C(N)c3ccc(Cl)cc3 -MOL_01_025593,c1cccc(c12)nc(O)n2C(O)CC34CCN(CC3)CC4 -MOL_01_025594,CCc(c1)ccc(c12)c(ccn2)Cc3cnc(c(c3)CC)CC(N)Nc4cn(C)nc4C -MOL_01_025595,Clc(c1)cnc(c12)c(cn2C)-c3ccc(cc3)Cc4ncccc4-c5ccncc5 -MOL_01_025596,c1ccccc1-n2c(C)nc(c23)c(O)nc(n3)O -MOL_01_025597,CC(=O)CC(C1=O)c(cccc2)c2C13C(C(=O)CCC)=C(C)CC(C)=C3C(=O)CCC -MOL_01_025598,Cc1ccc(cc1)CNC(=C)c(c2)ccc(c23)c(=C)nc4n3c(=C)cc4C(=C)NCC5CCCC5 -MOL_01_025599,CCCCCN(C1C)C(=N)Cn(c12)c(=N)c3c(n2)cccc3 -MOL_01_025600,c1ccccc1C2(CC(C)C)NC(=N)N(C2=N)CC(=N)NCc3ccc(Cl)cc3Cl -MOL_01_025601,C1CCC(C12)C=Cc3c(C2=N)nn(c3N)Cc4ccc(Cl)cc4 -MOL_01_025602,NCc1ccccc1NC(=O)C2CNc3cccc(c3C24)C(=O)CC4 -MOL_01_025603,OC1(O)CCCc(c12)nc(-c(cc3)ccc3CC)nc2Cc4ccc(cc4)CC(N)O -MOL_01_025604,NC(=O)C(C)c1ccc(cc1)CC2CCN(C2)c3ncnc(c3Cl)CCC(C)(C)O -MOL_01_025605,CN(O)c1ccc(cc1)NC(C2O)=C(Cl)C(O)c(c23)ncnc3 -MOL_01_025606,C1=NN=c(c12)cc(NC)c=3c2c4c(N3)ccc(Cl)c4 -MOL_01_025607,c1ccccc1CC2=C(C(=N)CN)C(C(=C(N2)N)CN)c3ccccc3Cl -MOL_01_025608,O=C(C=1)N=c(c12)ccc(c2)C(C)c3ccn(n3)-c4ccc(cn4)CCO -MOL_01_025609,CC(C)(C)c1cccc(c1C)C(O)N(C2)CCc(c23)n(cn3)-c4ncccn4 -MOL_01_025610,C1CC1n2c(C)c(cc2C)C(=N)Cn(c3=N)cnc(c34)cccc4 -MOL_01_025611,CCCC(=O)c1ccc(cc1)CC(=O)CCC(=O)N2Cc(cccc3)c3Cc(c24)nccc4 -MOL_01_025612,C1NCNc(c12)ncc(c2)-c3ccc(cc3F)-c4ccccc4CN5CCCCC5 -MOL_01_025613,NCC1(CC1)NC(=O)C(NC2=O)Cc(cc3Cl)ccc3CC\C=C\CCc(c24)ccc(F)c4F -MOL_01_025614,O=C(N1)CCCc(c12)cc(cc2)CNCC3CCC(CC3)C(=O)NCc4ccc(F)cc4 -MOL_01_025615,c1ccccc1C(CC)NC(=O)C(C=2)=CC(C23)=NN=C3NC(=O)c4ccc(cc4)N5CCN(C)CC5 -MOL_01_025616,N1CNC12N(CCC2)C(O)c3ccc(N(C4)CC4(F)F)c(n3)CNC5CC5 -MOL_01_025617,Cn1nccc1-c2ccc(CN)c(c2)-n3c(=O)ccc(c34)cc(cc4)CNc5cocn5 -MOL_01_025618,COCCn1c(C)cc(c1C)-c2ccc(nn2)Nc3ccc(cc3)CN4CCOCC4 -MOL_01_025619,CC(C)(C)c1ccccc1C2CCC(=O)Nc(c23)ncc(Cl)c3 -MOL_01_025620,NOc(c1)ccc(c12)c(=N)n(CCO)c(CN)c2-c3cccc(F)c3 -MOL_01_025621,c1ccccc1N(CNC2N)C23CCN(CC3)Cc(c4)ccc(c45)CCC5 -MOL_01_025622,CCCCNC(=O)C(C1)Cc(c12)nccc2-c3cccc(c3)NC(=O)C -MOL_01_025623,C1CCCCC1CNC(=O)C(C)(C2)Cc(c23)nccc3-c4cccc(c4)C(=O)N -MOL_01_025624,CC(=O)N1CCc(c12)cc(cc2)CNC(Cc3ccccc3)C(=O)NCCN4CCCCC4C -MOL_01_025625,CCNc1cc(cnc1C)CCc2c(CC)ncnc2N(C)C -MOL_01_025626,Cc1ccccc1-c(c2)cc(c23)nc(n(C)c3N)NCCc4ccncc4 -MOL_01_025627,C1CCCN1c(n2)cc(n23)ncc(c3N)C(N)Nc4cccc(F)c4 -MOL_01_025628,CC(C)(C)C(C)(C)c(c(CN)c1N)nc(c12)cc(ON)cc2ON -MOL_01_025629,NC(N)n1ccc(=O)nc1CC2CCN(C2=O)c3ccccc3F -MOL_01_025630,CCCn1c(C)cc(c1C)C(N)CCC(N)c2c(C)nn(c2C)-c3ccccc3 -MOL_01_025631,CCCC(=N)C1=C(C)NC(=N)N(C)C1c2ccc(c(c2)CN)CCc3ccccc3 -MOL_01_025632,NC(=N1)CCCC1(C(F)(F)F)c2cccc(c2)NC(O)c3ncc(Cl)cc3Cl -MOL_01_025633,COc1ccccc1Nc2ccnc(O)c2C(O)Nc3ccc(cn3)N4CCN(C)CC4 -MOL_01_025634,c1cccc(c12)ccc(c2)C(=N)NCCN(CC3)CCC34C(=N)NCN4c5ccccc5 -MOL_01_025635,Cc1cccc(C)c1C2CCC(=O)N2c3cc(N)cc(n3)N -MOL_01_025636,Cc(n1)nnc(c12)CN3C(C2)c4c(CC3)nc(Cl)c(n4)C -MOL_01_025637,c1ccnc(C(=O)C2)c1C23CCC(CC3)C(=O)Nc4cnn(c4)-c5ccccc5 -MOL_01_025638,c1ccccc1CC(C(=N)NC(C)C(=N)O)NC(=N)c(n2C)cc(c23)cc(Cl)cc3 -MOL_01_025639,C1CCc(n12)nc(c(c2=N)CC)-c3ccccc3 -MOL_01_025640,NCCc(c1)c(CCN)cc(c12)ncnc2Nc3ccc(Cl)c(N)c3 -MOL_01_025641,CCCCCn1cc(c2c(c13)cccc3)c(N)c(c2)-c4ccc(CN)cc4 -MOL_01_025642,Nc(c1)ccc(c12)C3C(=C(C2)N)C(=O)C(C(=O)C3)Cc4ccncc4 -MOL_01_025643,Cc1ccc(C)c(c12)nc(c(c2)CN)CCC(=N)N3CCCc(c34)cccc4 -MOL_01_025644,c1ccccc1-n(nc2C)c(c23)CCC(=O)N3CCCC(=O)NCc4ccc(Cl)cc4 -MOL_01_025645,c1ccccc1-n(c2)c(C)c(c23)nccc3CN -MOL_01_025646,CN(C)c(n1)ncc(c12)N=C(C(=C)N2C)c3cc(F)cc(F)c3 -MOL_01_025647,c1ccc(NC)c(c12)N(CCCCN)C=C(C2=C)C(=C)NC34CC5CC(C3)CC(C5)C4 -MOL_01_025648,c1cccc(c12)c3c(CN2CC)cnc(n3)CCC(=N)NCc4ccc(C)cc4 -MOL_01_025649,CCCCCn1cc(c(=N)c(c12)cc(N)cc2)C(=N)NC34CC5CC(C3)CC(C5)C4 -MOL_01_025650,CCCN1CCN(CC1)C(O)C(C)n(c2O)nc(C)c(c23)cc4c3cccc4 -MOL_01_025651,c1ccccc1C2CCC(=O)N2c3ccnc(n3)NCc4ccccc4 -MOL_01_025652,Clc1ccccc1C(CC(=C)C)NC(=C)c2ccc(CN)c(n2)-c3ccc(CN)cc3 -MOL_01_025653,CC(C)(C)Cc1ccc(cc1)Cn(c2=N)cnc(c23)n(nc3)C(C)(C)C -MOL_01_025654,Cc1ccc(c(C)c1)C(=N)C(C(N)CC2)c(c23)ccc(c3)-c4cnc(N)c(N)c4 -MOL_01_025655,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CC(C)(C)C)CCC(=O)NCC3CCCO3 -MOL_01_025656,NCc1c(CN)cccc1CC(C)C(F)c2cc(nc(c23)cccc3)-c4ccc(CN)c(c4)CN -MOL_01_025657,CCCCNC(=O)CCC1CCN(CC1)c(n2)nc(N)c(c23)cc(CN)c(c3)CN -MOL_01_025658,CC(N)c1cccc(n1)Nc2c(nn(c23)cccc3)-c4ccccc4 -MOL_01_025659,C1NNCC1c(c(c23)cccc3)c(CC)c(=O)n2-c4ccccc4 -MOL_01_025660,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)Cc4cc(ncn4)C5CC5 -MOL_01_025661,FC(F)(F)C(F)(F)C(F)(F)CCc1c(CO)c(ncc1)CC(O)C(N=2)=NC(C23)=CC=C3 -MOL_01_025662,C1CC1N2CCN(CC2)Cc3ccc(cc3)C(C)Nc4nccc(n4)N5C(C(C)C)NCN5O -MOL_01_025663,C1COC(N)=NC1(C(C)C)c2cc(ccc2C)NC(O)c3ccc(cn3)CN -MOL_01_025664,C1CCCc(n12)nc(C)c(c2=O)C(c3ccccc3)c(c(=O)n4)c(C)n(c45)CCCC5 -MOL_01_025665,CCc(c1)cnc(c12)ccc(=N)n2CCN3CCN(CC3)C(=N)Nc4ccc(Cl)cc4 -MOL_01_025666,CCc(n1)cc(n12)nc(cc2O)COC(O)c3cccc(c3)NC(O)COc4ccccc4F -MOL_01_025667,FC(F)(F)Cc1ccc(cc1)C(CC23)=C(C(=N)CN)C(CC2)N3C(=N)NCCc4ccccc4 -MOL_01_025668,NCc1c(CN)c(CN)cc(c12)NC(N)NC2c3cc(ccc3F)-c4ccccc4 -MOL_01_025669,CC(N)c1ccc(CN)c(c1)CCC(N)c2cnc(Cl)c(Cl)c2 -MOL_01_025670,Cc1ccccc1-c2nc(O)nc(c23)c(CN)c(N)c(c3)N -MOL_01_025671,Cc1ccccc1OC2CCC(CC2)C(N)c3ccc(N)cc3N -MOL_01_025672,CC(C1)C(=O)Nc(c12)cc(cc2C)CN3CCN(CC3)c4ccc(cc4Cl)C(=O)NC5CC5 -MOL_01_025673,N=1N=Cc(c12)c3c(cc2)=Nc4c(C3=O)cccn4 -MOL_01_025674,c1cccc(c12)c3c(n2C(N)N)ccc(c3CCN)CC(N)C4CCCCC4 -MOL_01_025675,CCCNC(N)CCC(N)c1c(CCC2)c2nc(c13)cccc3 -MOL_01_025676,C=C(C)N1CCCC(C12)Cc3c2nc(nn3)CN -MOL_01_025677,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3nc(ncc3F)N(C)CCO -MOL_01_025678,c1ccccc1CNC(=N)C2=C(C)N(CCCCCC(=N)N)C(=N)NC2c(c3)ccc(c34)cccc4 -MOL_01_025679,Nc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)Cc4cnccn4 -MOL_01_025680,CC(C)(C)c1cccc(c1)-n2c(N)nc(=N)c(c23)cccc3 -MOL_01_025681,C1NCNCN1C(=O)CCc2n(C)c(nn2)-c(c3)ccc(c34)nccc4 -MOL_01_025682,c1ccncc1C2CC(C)=NC(=C23)C(=NC3=N)C4CCCC4 -MOL_01_025683,c1cnccc1-c2nnc(n2C)CCC(=O)Nc3cccc(c3)CNC4=NCCCCC4 -MOL_01_025684,n1cccc(c12)cccc2CNc3cc(OC)c(cc3)C(=O)N4CC(C4)OC(=O)Nc5ccccn5 -MOL_01_025685,CC(=N)N(C1)CCc(c12)cc(cc2)-c3cccc(c3)CNc(c4)ccc(c45)C(CN5)CC(=N)N -MOL_01_025686,Clc(c1)ccc(c12)n3c(c(nc3)CN)CC(C)C2=N -MOL_01_025687,Fc1ccc(cc1)CN2C(CCC2C)C(=O)NCc3cc(ncn3)-c4ccc(C(F)(F)F)nc4 -MOL_01_025688,c1ccccc1-c2cc(N)n(n2)C3CCN(CC3)C(N)C4(CCCC4)c5ccccc5 -MOL_01_025689,c1ccccc1-c2n(C)c(nc2)CCC(=N)C3CCCc(c34)cccc4 -MOL_01_025690,C1CCc(c12)ncc(Cl)c2N(C)c3ccnc(c3)NC(O)C4CC4 -MOL_01_025691,CCCC(O)c1c(N)cc(O)c(c12)C(O)c3c2cccc3 -MOL_01_025692,c1cccc(c12)C(CN)(C(=C2C)C(O)CN)c3ccccc3 -MOL_01_025693,Clc1ccc(cc1)Nc(c(Cl)c2=C)c(=C)c(c23)nc(-c4ccccn4)c(n3)-c5ccccn5 -MOL_01_025694,FC(F)(F)C(C)(C(F)(F)F)c1ccc(cc1)N(CCC2)C2(C(=N)CN)c3ccccc3 -MOL_01_025695,CCCCOc(n1)nc(C)c(c12)nc(O)n2CC3CCCCC3 -MOL_01_025696,Cc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)-c4cccnc4 -MOL_01_025697,CCc1nc(N)nc(N)c1CCC(C)c2cc(ccc2ON)-c3ccncc3 -MOL_01_025698,CCCCn1ncc(c1N)C(O)Nc2cc(ccc2C)C(O)Nc3ccnn3C -MOL_01_025699,CC(C)(C)c1cnc(nc1NC)Nc2cc(OC)c(cc2C)C(O)N3CCOCC3 -MOL_01_025700,NC(N1)CCc(c12)ccc(c2)CCN3CCN(CC3)c4cccc(c45)cccn5 -MOL_01_025701,NCc(cc1)cc(c12)NCC2(CCCN(C)C)c3ccc(cc3)-c4cccc(N)c4 -MOL_01_025702,C1CC1CNc(n2)nc(C)c(CCC3)c2C34CCN(C4)C(N)C(C)(C)C -MOL_01_025703,c1ccccc1C2C(=N)N(c3ccc(CN)cc3)C2c4ccccc4 -MOL_01_025704,Cc1nn(C)c(c12)c(C)nc(n2)-c3ccc(cc3)CNCCN(C)C -MOL_01_025705,c1ccncc1Cn2cc(CNC)c(F)c2-c3cccnc3F -MOL_01_025706,C=1C=CC(C12)=c3c(=CC2=N)ccc(C)c3-c4ccc(C(C)N)cc4 -MOL_01_025707,c1ccoc1CNC(=N)CCc2nc(ccc2CN)-c3cccc(c3)ON -MOL_01_025708,N=C1CCC(=N1)N2N=C(c3ccc(Cl)c(Cl)c3)CC2c4ccc(F)cc4 -MOL_01_025709,CCC(N1)(C(=N)N)CCc(c12)ccc(c2)NCCCNc3ccc(cc3Cl)NCC(F)(F)F -MOL_01_025710,c1cccc(c12)c3c(cc2)CC(=N)C(N3C)(C(C)=N)Cc4ccccc4C -MOL_01_025711,N=C1CCC(=N1)N2N=C(c3ccc(Cl)c(Cl)c3)CC2c4ccc(CN)cc4 -MOL_01_025712,c1cc(Cl)cc(c12)ccc(c2)CNC3C(N)N(CC3)c4ccc(cn4)-c5ccccc5 -MOL_01_025713,CN(C)C1CCCCC1N(C)CC(=N)N2c(cccc3)c3NC(=N)c(c24)cccc4 -MOL_01_025714,c1cccc(c12)CCN2C(O)CCc3n(C)c(nn3)Cn4nnc(c45)cccc5 -MOL_01_025715,Cn1ncc(c1C)-c2nnc(CCC(=O)O)n2C(C)c3ccccc3 -MOL_01_025716,CCOC(=O)Cn(c1=O)cnc(c12)n(cn2)-c3cccc(c3)OC -MOL_01_025717,COc1cc(OC)cc(c1)C(CC2)=Nn(c23)c(nn3)-c4cccc(c4)OC -MOL_01_025718,CCCn1cc(cn1)-c(c2)cc(c(c23)cccn3)CCc4ncccc4C(N)N -MOL_01_025719,c1ccncc1C2C(C(=N)CCC)=C(N)Cc(c23)c4c(cc3)cccc4 -MOL_01_025720,CC(O)Nc1cc(ccc1Cl)NC(C)(C)C(O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_025721,C1CCc(c12)cc(CC)c(c2)C3C(CN)=C(N)CC(=C34)CC(C)(C)CC4=O -MOL_01_025722,C1CCCc(n12)c3c(nc2O)nc(n3)-c4ccccc4 -MOL_01_025723,CCCCC(=O)N(CC1)CC12c3c(CCC2)cnc(n3)N4CCCCC4 -MOL_01_025724,CCOCN(F)CC1C(N(F)COCC)=C(N)Cc(c12)ccc(c2)-c3cncc(N)c3 -MOL_01_025725,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)CCCN(C)C -MOL_01_025726,NC(=O)c1ccc(cc1)NC(=O)CCC2=Nc(c3C(N24)CC=N4)cccc3 -MOL_01_025727,NC=1C=CC(C12)=C(C)N=C(C2=N)c3ccccn3 -MOL_01_025728,NCNCCNC(=C)c(c1)ccc(c12)C(C)c3c(cccc3)C(=C)N2Cc4ccccc4F -MOL_01_025729,CCn1ccc(n1)C(O)Nc(c2)ccc(c23)N(C)C(O)C3(C)C -MOL_01_025730,c1ccc(c12)nc(O)n(c2O)CCCC(O)N3CCN(CC3)c4ccccn4 -MOL_01_025731,CCCCC1(C(C)(C)C)NC(=N)Nc(c12)ccc(C)c2C -MOL_01_025732,CCc(c1)c(CC)cc(c12)cc(C)c3n2c(nn3)/C=C/C(N)O -MOL_01_025733,c1ccccc1CCc2cc(C)c(cc2)-c3cc(nc(n3)N)-c4ccc(CN)c(c4)CN -MOL_01_025734,c1cccc(c1=2)=NC(\N(C2N)C(C)CCN)=C/CC(N)N(C3)CCc(c34)cccc4 -MOL_01_025735,c1ccccc1C(CC2)=Nn(c23)c(nn3)-c4cccnc4 -MOL_01_025736,FC(F)c(n1)nc(N)c(c12)c(cc(c2)N)CCCC3(CC3)c4ccccc4 -MOL_01_025737,c1ccccc1C(C)(CO)NC(N)c2c(C)nc(n23)c(ccc3)CCc4c(F)cccc4F -MOL_01_025738,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)Cc4ccc(cn4)CN -MOL_01_025739,CCOC(=N)C12C(=CCCC1)N(Cc3ccco3)C(=N)C(C2)CC(=N)N4CCOCC4 -MOL_01_025740,Cc1cccc(c12)C=c3c2cc(C(=N)O)c4c3=CC=C4 -MOL_01_025741,FC(F)(F)c1cc(F)ccc1C(=N)OC2C(C)N(C=CC2=N)C(=N)Oc3ccccc3 -MOL_01_025742,c1cc(Cl)c(N)c(c12)ncc(C(=O)CCN)c2NCCCN3CCCCC3 -MOL_01_025743,C1CN(C)C(N)C1(O)CCc2cccc(c2)-n3cc(C(N)N)c(c34)cccn4 -MOL_01_025744,C=C(N)c(c1)ccc(c12)C(CN2)CCN3CCN(CC3C)c4cccc(c45)cc(F)cc5 -MOL_01_025745,CC(=O)CN1CCC(CC1)Nc2nc(nc(c23)C=CC3)-c4ccccc4 -MOL_01_025746,N=C(O)c1c(F)cc(cc1)NC(=N)C(C)n2cc(Cl)c(cc2=N)-c3cc(Cl)ccc3CN -MOL_01_025747,CCc1nccc(N)c1-c(c2)ccc(c23)cc(nc3)CC(=N)C4CC4 -MOL_01_025748,NCc1ccc(cc1)-c2nc(C)c(CN)c(c2)C(=O)C3CCCCC3 -MOL_01_025749,CC(=O)Nc1ccc(cc1)NC(=O)C(C)(C2)Cc(c23)nccc3-c4ccccc4 -MOL_01_025750,CCc1cccc(c1)CC(N)Nc2ccc(C)c(c2)-c3cc(C(C)N)ccn3 -MOL_01_025751,O=C1CCC(=N1)N2N=C(c3ccc(Cl)c(Cl)c3)CC2c4ccccc4 -MOL_01_025752,Nc1ccccc1-c(n2)cc(c(c23)cc(Cl)cc3)C(N)n4cccn4 -MOL_01_025753,CCCCCCn1cc(CN)c(c12)c(ncn2)CCC -MOL_01_025754,COc1cccnc1-n2ccnc2C(O)Cc3ccccc3NC(=O)C -MOL_01_025755,CC(C)CC(N=1)=NC(=N)C(C12)=Cc3c2cc(cc3)C(N)c4ccccc4 -MOL_01_025756,Cc1cnc(C)c(n1)-c2cc(F)cc(c23)CC(C3)CNC(=O)Cc4ccccc4C -MOL_01_025757,NCC(O)C(CC)n(c1O)cnc(c12)c3c(c2)cccc3 -MOL_01_025758,c1ccccc1C(=CN=2)C(=O)C(C23)=CC=C3c4cccnc4 -MOL_01_025759,CC(C)(C1)NC(=O)NC12c3c(cc(C)cc3)CC(C2)c4ccccc4 -MOL_01_025760,CCc1c(C)nc(N)n(c12)c(nn2)CCC(O)Nc3ccccc3 -MOL_01_025761,NCc1ccccc1-c2c(=N)n(-c3ccc(CN)cc3)cc(c2)-c4ccccn4 -MOL_01_025762,c1cnccc1N2CCN(CC2)C(=O)C3CN(C3)Cc4cccc(c45)nccc5 -MOL_01_025763,NOc1ccccc1C2CC(Cc(n23)ncn3)c4ccccc4 -MOL_01_025764,Fc1ccccc1C(O)c2c(n(C)nc2C)NC(O)CN3CCCCC3 -MOL_01_025765,c1ccccc1CCC(O)c2c(cc(n23)CC3O)Cc4ccccc4 -MOL_01_025766,Oc(n1)ncc(c12)C3CCCC(C2)N3Cc4ccc(Cl)cc4 -MOL_01_025767,CNc(c1)cc(N)c(c12)c(N)cc(n2)-c3cc(N)c(N)c(c3)Cc4cccc(F)c4 -MOL_01_025768,Cc(n1)nc(C)c(c12)nnc3c2n(C)c(C)c3C -MOL_01_025769,CCCc(n1)cc(n12)nc(cc2N)COC(N)c3ccc(cc3)NC(N)COc4ccccc4 -MOL_01_025770,CCCCCNC(O)Cn(c1O)nc(CC)n(c12)c3c(c2)ccc3 -MOL_01_025771,NC(=O)c1cccc(c1)CC(=O)C(N)C(C2)CNc(c23)cccc3 -MOL_01_025772,NCc1ncnc(c1)N2CCC(C)C2Cc3cccnc3 -MOL_01_025773,c1ccccc1-c2cc(C(C)(C)C)c(CN)c(n2)CCCN3CCOCC3 -MOL_01_025774,CCNCCCCC1CCN(CC1)CC(=N)N2c(cccc3)c3NC(=N)c(c24)cccc4 -MOL_01_025775,OCC(C)(C)CCC(N)c(c1O)c(N)nc(c12)cc(cn2)Cc3ccc(F)cc3 -MOL_01_025776,FC(F)(F)c1ccccc1NC(N)Cn2c(nc(c23)ccnc3)CCc4ccccc4F -MOL_01_025777,O=C(O)CCCC(=O)Nc1c(OC)cc(OC)c(c1)CN(C(C)CC2)c(c23)cccc3 -MOL_01_025778,c1cccc(c12)ncn2C(CCCC)C(N)c3ccc(Cl)cc3 -MOL_01_025779,Cc1ccc(cc1)-c(c2)cc(c23)nc(n(C)c3N)NCCc4ccncc4 -MOL_01_025780,Cc1cccnc1C(=O)NC(C(C)CC2=O)C(=O)NCCC(=O)Cc(c23)cccc3 -MOL_01_025781,CCc1ccc(cc1Cl)NCCC(C2=O)=NC(=O)c(c23)cccn3 -MOL_01_025782,Cc1cc(C)c(c(n1)N)CNC(N)c2cccc(c23)n(cn3)C(C)C -MOL_01_025783,O=C(C)c(n1)cc(C(=O)C)c(c12)cc(cc2)-c3ccc(cc3)-c4ccccc4 -MOL_01_025784,C1CCCNC1CNC(=N)c2cccc(c2)-c3ccccc3 -MOL_01_025785,NOc(c1)ccc(c12)CCc3n2ncc3C(=O)OCc4ccccc4 -MOL_01_025786,NC(N1)CN(C1=2)Cc3c(N2)ccc(c3)CCCCC(N)N4CCCc(c45)cccc5 -MOL_01_025787,CC(C)(C)c1cnc(nc1NC)Nc2cc(C)c(cc2ON)C(O)N3CCOCC3 -MOL_01_025788,NC(N)CN1C(=O)CC(=O)n(c12)c3c(c2)cccc3 -MOL_01_025789,CC(C)c1ccccc1C2CCC(N)Nc(c23)ncc(Cl)c3 -MOL_01_025790,CC(=O)Nc1ccc(cc1)NC(=O)C2CCN(CC2)Cc(c3)ccc(c34)NC(=O)CCC4 -MOL_01_025791,Cc1nc(N)c(CN)c(c1N(C)C)C(=O)c2c(F)cccc2F -MOL_01_025792,CCCc1ccc(c(Cl)c1CNC)C(N)c2c(C)nc(C(C)C)n2C -MOL_01_025793,CCCn1c(O)nc(O)c(c12)nc(n2)C(C3CC3)C4CC4 -MOL_01_025794,c1nnnn1-c2ncc(cc2)CC(=C)N(C3)CCN(C34)CC(CC4)c5ccc(NC)c(F)c5 -MOL_01_025795,CCc1ccc(cc1)Cn2c(N)c(CC(C)O)c(c23)cccn3 -MOL_01_025796,c1cccc(c12)C(N)C(C2N)(c3ccccc3)N4CCN(CC4)c5cccc(C(F)(F)F)c5 -MOL_01_025797,Cc1ccc(cc1)CNC(=O)c(c(C)c2=O)nc(n23)NNNNC3 -MOL_01_025798,c1cccc(c12)C(=N)N(C(C)C)N(C)C(=N)C2NC(=N)C(C)NC(=N)Cc3ccccc3 -MOL_01_025799,NCc(c1)c(C)nc(c12)ccc(c2)-c3cccnc3 -MOL_01_025800,Cc1ccc(cc1)NC(=O)CN(C)C(=O)CCc2c(Cl)cc(Cl)c(c23)ccc(n3)C -MOL_01_025801,O=CC1=CN=c(c12)c=3c(cc2)c4c(N3)ccc(c4)-c5ccc(F)cc5F -MOL_01_025802,CNC(O)c1c(C)cc(cc1)-c2ncnc(CC)c2CCc3ccc(N)nc3 -MOL_01_025803,c1ccccc1C2CC(C(=N)N2CC(C)(C)C)CC(=N)N3CCC(CC3)N(C(=N)N4)Cc(c45)cccc5 -MOL_01_025804,COc1cccc(c12)c(O)c3c(n2)c(cc(F)c3)C(O)Nc4cc(Cl)ccn4 -MOL_01_025805,CCCC1(NN)NC(=N)c(c12)c(C)c(N)c(c2)N -MOL_01_025806,Clc1ccccc1Cc(c2N)c(N)nc(n23)nc(n3)CCC(=O)O -MOL_01_025807,c1cccc(c12)N(C3CC3)CCN2C(=N)c4cnccc4Cc5cc(CN)ccc5CN -MOL_01_025808,c1ccccc1-n(nc2)c(CN(C3)CN)c2C34CCN(CC4)Cc5ccccc5 -MOL_01_025809,OC(O)CNC(O)c1ncc(cc1O)-c2cn(cn2)Cc3ccc(cc3)-c4ccccc4 -MOL_01_025810,c1cccc(c12)c(N)n3c(n2)cc(n3)COc4ccccc4Cl -MOL_01_025811,NC(C1)COc(c12)cccc2CC(N)C3CCC(CC3)c4cc(F)c(F)c(F)c4 -MOL_01_025812,Cc1ccccc1C(CC(=N)N)NC(=N)c2cnc(CN)c(c2)-c3ccc(F)c(F)c3 -MOL_01_025813,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)CCc4cncn4C -MOL_01_025814,NC(N)c1cccnc1CCc2cc(cc(c23)nccc3)-c(c4)ccc(c45)C(N)NCC5 -MOL_01_025815,CNc1cccc(c12)C(O)C(=C(Cl)C2O)Nc3ccc(C)cc3 -MOL_01_025816,C1CCCc(c12)nc(nc2N)CNC(N)CN3CCC(CC3)C(N)c4ccc(cc4)CCCC5CC5 -MOL_01_025817,CCc1nc(N)nc(N)c1CCC(C)c2cc(ccc2OC)-c3ccc(C(N)O)cc3 -MOL_01_025818,c1cnnn1CC2CC(=C)N(C2)c3ccc(c(C)c3)-c(c4)ccn(c45)ncn5 -MOL_01_025819,c1ccccc1C2(C(=O)CN)C(C)=CC(C2=O)C(C)(C)c3cc(Cl)nc(Cl)c3 -MOL_01_025820,Cc1cc(NCN)nc(n1)C2CCCN(C2)Cc3cc(CN)ccc3C -MOL_01_025821,c1cccc(c12)NC(C(=N)CC)C2C(=N)Nc3ccc(Cl)cc3 -MOL_01_025822,Cc1ccccc1C2CC(c3ccccc3)=NN2C4=NC(N)CC4 -MOL_01_025823,c1cccc(c12)cc(-c(cc3)ccc3N)c(n2)C4CNCNC4 -MOL_01_025824,C1CCCc(c12)cccc2N3C(N)C(N)N(CC3)Cc4ccc(F)cc4Cl -MOL_01_025825,C1CC1Nc2c(C)c(nc(n2)C3CC3)C4CCC(O)CC4 -MOL_01_025826,c1cccnc1CN(CCc(c23)ncn3C)C2NONc4cccnc4 -MOL_01_025827,CCCC(=O)C1=C(C)CC(=O)CC1C(C2=O)=CC=c(c23)cc4c(c3)=CC=C4 -MOL_01_025828,NC(=O)CCc1nc(=O)c(CC)c(C)n1-c2ccccc2C -MOL_01_025829,C1CCc(c12)nn(C(C)(C)C)c2NC(=O)CCc3ccc(Cl)cc3 -MOL_01_025830,Cc(c1)ccc(OC(C2)(N)N)c1C23CC(=CC3=O)CC(N)N -MOL_01_025831,CC(C)CC(N)C1=C(C)CC(N)=C(CN)C1c2cncc(c2)-c3ccc(F)cc3 -MOL_01_025832,CCOC(N)c(c1CCC)cnc(c12)ccc(c2)OCc3ccc(nc3)NCCCN -MOL_01_025833,CCC(CC)CCN1CNc(c12)c(C)n3c(n2)nc(c3)C -MOL_01_025834,c1ccncc1C(C(=N)NC(C)(C)C)N(c2ccc(cc2)C(C)C)C(=N)Cc3cccnc3 -MOL_01_025835,Cc1cccnc1CC(=O)Cc2cccc(C3=O)c2C(C4)C3CCC45OCCO5 -MOL_01_025836,N=C1NCCC1NC(=N)c(c(c23)cccc2)cc(n3)-c4c(C)cc(C)cc4 -MOL_01_025837,NC(N)C1CCCc(c12)cc(cn2)-c3cncc(c3)C4(O)CCOCC4 -MOL_01_025838,CCC(=O)C1C(=O)CC(C)=C(C(=O)OC(C)C)C1c2cccc(CF)c2 -MOL_01_025839,CCn1nnnc1CCC(=O)N2CCc(c23)cccc3 -MOL_01_025840,CCc1nc(N)nc(N)c1CCC(C)c2cc(ccc2O)-c3ccncc3 -MOL_01_025841,c1ccccc1CCC(=N)NC(Cc2ccccc2)C(=N)c3c(N)nc(n34)cccc4 -MOL_01_025842,Fc1ccc(cc1)NC(=N)CCc2cc(N)nc(c23)cccc3 -MOL_01_025843,c1cccc(c12)CC(=O)C(c3ccccc3)C2(O)C(=O)C4CCCCC4 -MOL_01_025844,CCC1=NC(C)=C(C(=O)CN)C(N1)c2ccccc2CC -MOL_01_025845,Cc1ccc(cc1)-c2c(O)cn(-c3nc(N)nc(n3)N)c2-c4ccncc4 -MOL_01_025846,Cc1cccnc1-n2ccnc2CCc3ccccc3N4CCOCC4 -MOL_01_025847,Cc(c1)ccc(c12)OCCC2C(=N)C3CCC(CC3)C(=N)CCc4ccc(ON)cc4 -MOL_01_025848,C1CC1C(N)Cc(c2)ncc(c23)cc(nc3N)-c4ccccc4Cl -MOL_01_025849,n1cnc(n12)nc(C)c3c2C(CC3)CCC(N)c4ccccc4 -MOL_01_025850,NCCCC(O)N(CC1)CC12c3c(CCC2)cnc(n3)N4CCCCC4 -MOL_01_025851,Clc1cnc(cc1)C(=N)Nc(c2)ccc(CC3)c2C34CCC(=N4)N -MOL_01_025852,Cc(n1)ccc(c12)c(ccc2)CC3CCN(CC3)CC(N)c(c4)ccc(c45)CCC(N5)N -MOL_01_025853,Nc1ccc(c12)c(nn(c2N)CC(C)(C)C)-c3ccccc3 -MOL_01_025854,Fc1ccc(cc1)CCC(N)c(c2O)c(N)nc(c23)cc(cn3)Cc4ccc(F)cc4 -MOL_01_025855,CC1=CC=c(c12)c=3c(cc2)C(=C(C(=O)C3)CC)c4cccc(c4)CN -MOL_01_025856,Cn1ccc(c12)cc3c(c2)c4c(CCC3C)cc(CN)c(CN)c4CN -MOL_01_025857,CC(C)(C)C(C1)OC(N)=NC1(CC)c2cc(ccc2C)C(=O)NC3CC3 -MOL_01_025858,CCCn1ccc(=O)c(c12)c(N)nc(n2)CC(C)C -MOL_01_025859,CNc1ccc(cc1NC)C2CC(=N)NC(=C23)CC(CC3=N)c4ccc(F)cc4 -MOL_01_025860,NOc1ccc(cc1)-n2cnc(c23)c(ncn3)CCC(=O)c4ccccc4 -MOL_01_025861,CCC(=N)c1ccc(cc1)CCC(=N)CCC(=N)N(C(C)C2)c(c23)cccc3 -MOL_01_025862,Nc(c1)ccc(c12)C(CCC2)c3nc(Cl)nc(c34)cccc4 -MOL_01_025863,CC(=O)Nc1ccc(cc1)-c2nnc(n2C)CCC(=O)c(c3)ccc(c34)c5c(C4)cccc5 -MOL_01_025864,c1cccc(c12)c(cc(=N)n2CC)CCC(=N)N3CCN(CC3)c4ccccc4CN -MOL_01_025865,Cc(c1)cnc(c12)n(C)c3c2cc(N(C)O)nc3C -MOL_01_025866,CC(C)(C)c1ccc(cc1)NC(C2N)=C(Cl)C(N)c(c23)ncnc3 -MOL_01_025867,n1cnnn1CC(C)N(C=2O)C=Nc(c23)cc=4c(c3)N=NN(C4O)C5CC5 -MOL_01_025868,c1ccncc1CC2(C)CCN(CC2)C(=O)c3ccc(cc3)NCc4cccc(c45)cccn5 -MOL_01_025869,NCc(n1)ccc(c12)nccc2CCC3CCC(CC3)NCc(n4)ccc(c45)CCC(=O)N5 -MOL_01_025870,Clc(c1)ccc(c12)NC(=O)CC2(C(C)(C)C)NNc3ccncc3 -MOL_01_025871,c1ccccc1CC(C)c(n2)cc(n23)C(N)N(CC3)c4ccc(F)cc4 -MOL_01_025872,C1CC(N)=NC12c3c(ccc(c3)CN)Cc4c2cc(cc4)-c5ccc(CC(F)(F)F)cc5 -MOL_01_025873,c1ccc(c12)nc(O)n(c2O)CCC(O)N3CCN(CC3)c4cccc(Cl)c4 -MOL_01_025874,c1cnccc1C(C(=N)NC(C)(C)C)N(C(=N)C2CCC(=N)C2)c3cccc(c3)CN -MOL_01_025875,NCc1c(CN)c(CN)cc(c12)nc(cc2CC)-c3ccc(CN)c(C)c3 -MOL_01_025876,c1cccc(c12)nc(C)c3n2nc(n3)C(O)CCc4ccccc4 -MOL_01_025877,Cc1nccn1CCCCNC(=N)c(c2)ccc(n23)nc4c(c3=N)cc(cc4)C(C)C -MOL_01_025878,CCc1ccc(CC)c(c1)N2C(O)C(Cl)=C(C2O)N3CCCCC3 -MOL_01_025879,CCCCCC(=O)C(C=1)=CC(C12)=Nc3c(C2=O)cccc3C -MOL_01_025880,CNc1ccc(c(Cl)c1)N(C(N)c(c23)cccc3)C2(C)c4ccccc4 -MOL_01_025881,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)Cc4ccc(CN)nc4 -MOL_01_025882,c1ccccc1C(=N)NC(C(=N)C2)C(C(=C23)C(=N)CCC3)c4ccc(C)cc4 -MOL_01_025883,CNc1ccc(CC(=N)N)cc1-c2ccc(C)c(c23)CCN(C3)C(=N)CC4(N)CCCCC4 -MOL_01_025884,Cc1ccc(cc1)C(N)Cc2c(C(N)c3ccc(C)cc3)c(C)nn2-c4ccccc4 -MOL_01_025885,O=c1ccc(nn1C)NC(C(C)(O)C(C)(C)C2)c(c23)cc(cc3)CN -MOL_01_025886,Cn1cnc(n1)CCc2cc(C(O)N3CCCC(N)C3)nn2-c4ccc(CN)cc4 -MOL_01_025887,Cc1ccc(cc1)C(C)C2=C(c3ccccn3)CC(N)=C(CN)C2c4ccc(C)cc4 -MOL_01_025888,C1COCCN1CCCn(c(=N)c(c23)cccc3)c(n2)CCc4ccc(F)cc4Cl -MOL_01_025889,c1ccncc1C(C(=N)NC(C)(C)C)N(c2ccc(C(C)(C)C)cc2)C(=N)c3cccnc3 -MOL_01_025890,NCc(c(Cl)c1)cc(c12)nc(C)c(c2N)-c3ccc(cc3)-c4ccccc4 -MOL_01_025891,CC(=O)C1CCCN(C1)C(N=2)=NC(=O)C(C23)=CC=C3c4ccccc4 -MOL_01_025892,CC(C)(N)C(=O)NC(C(=O)CC)Cc1ccc(C)c(C)c1 -MOL_01_025893,Cc(n1)cc(N)n(c12)nc(NC)c2Cc3ccccc3 -MOL_01_025894,FC(F)(F)c1cc(cc(c1)C(F)(F)F)NC2=C(N)C(N)=C2NC(C(O)C3)c(c34)cccc4 -MOL_01_025895,CCc(c1)ccc(c12)C(C)(C)C(N)N(C2N)c3ccccc3C -MOL_01_025896,c1ccccc1CC2C(=C)N(c3cc(C)ccc3C)C2c4ccc(CN)c(c4)CN -MOL_01_025897,Cc(c1)ccc(c12)N(C(O)C2O)CCN3CCN(CC3)NCc4ccccc4C(C)(C)C -MOL_01_025898,FC(F)(F)c1cc(F)ccc1N2CC(C)N(CC2)Cc3cn(C)c(n3)C(C)(O)C(F)(F)F -MOL_01_025899,c1cccc(c12)NC(C)=C(N(N)CNC)C(C2)c3ccccc3Cl -MOL_01_025900,C1CCC(C1=2)=C3C(C2)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5 -MOL_01_025901,CCCC(=N)c(c1=N)cn(c(c12)c(C(F)(F)F)ccc2)Cc3ccc(CN)cc3 -MOL_01_025902,CCCc1ccccc1CNC(=O)CCC(=O)N2Cc(cccc3)c3Cc(c24)nccc4 -MOL_01_025903,C1NNCNN1NCC(=NC2=C)C=C(N23)c4c(CC3)cc(cc4)CCN(C)CC -MOL_01_025904,CCc(c1)cc(n12)nc(cc2N)COC(N)c3ccccc3CC(N)C4CCCCC4 -MOL_01_025905,CCc(c1)cc(CC)c(c12)c(O)cc(n2)C(O)Nc3cccc(c3)-n4ccnc4 -MOL_01_025906,Clc1cc(ccc1)CNC(=N)C(C)(C2)Cc(c23)nccc3-c4cccc(c4)C(=N)N -MOL_01_025907,NCc1ccc(nc1C)N(CC2)CC23CCN(CC3)CC(C)c(c4C)ccc(c45)C(=O)CC5 -MOL_01_025908,C1OC(=N)c(c12)ccc(c2C)C(OC)CN(CC3)CCC34CCN(C4=N)C5=CC(=N)OC5C -MOL_01_025909,Cc1ccccc1N(C(C)=C(CN)C(O)N2)C23CCCCC3 -MOL_01_025910,NCc(c1)c(CN)cc(c12)cnc3c2Cc4c3cc5c(c4)CNC5 -MOL_01_025911,c1ccccc1-c2nnc(n2CC)CCC(=O)c3cc(C)n(C)c3C -MOL_01_025912,CC(C)(C)c1cccc(c1)NCCNc(c2)ccc(c23)C(CN3)CC(=N)N -MOL_01_025913,Cc1nnc(nc1C)C(C2)C(C)C(=C)c(c23)c(C)nc(n3)C -MOL_01_025914,FC(F)(F)c1ccc(cc1)C(=NC2=N)N=C3C=C(C4=C23)CN(CC4)Cc5ccccc5 -MOL_01_025915,CCCC(O)C(C)n(c1O)nc(C)c(c12)cc3c2cccc3 -MOL_01_025916,CCc(n1)ccc(c12)ncc(F)c2CCN3CCC(CC3)NCc(nc4)cc(c45)CCCC5 -MOL_01_025917,NC(N)c1nc(cn1C)-c2cc(ccc2C)-c3ccccc3OC(C)(C)C -MOL_01_025918,NCCc1ccccc1C(C=NC2=O)=C(C2=3)C=C(C3)c4ccncc4 -MOL_01_025919,Clc1ccccc1C(CC(=C)C)NC(=C)c2cnc(CN)c(c2)-c3cccc(c3)CN -MOL_01_025920,COc1ccc(CCO)c(c1)Nc(nc(c23)cccc3)c(n2)NC(O)(O)c4ccc(cc4)CN(C)C -MOL_01_025921,CCc1ccc(nc1)C2CC2CCc3ncc(C)cc3-c4cnn(c45)CCC5 -MOL_01_025922,CCCc1ccc(cc1CCC)CCNC(=O)CCC(=O)c(n2)nc(n23)nc(C)cc3C -MOL_01_025923,Cc1cncc(c1)Cc(c2)cc(c(n23)ncc3)C(=O)Nc4cccc(n4)C -MOL_01_025924,Cc1cnc(cn1)-c2ccc(c(ON)c2C)C3CCCC3 -MOL_01_025925,C1COCCN1Cc2cc(ccc2OC)CC(=O)NC(C)c3ccc(Cl)c(Cl)c3 -MOL_01_025926,C1CC1CN(C23)C(CC2)CC(C3)Cc4c(C)c(ncn4)Nc5ccc(CN)cc5Cl -MOL_01_025927,Cc1cccc(c1C)-c2cn(cn2)-c3ccc(CN)c(c3)C(C)(C)C -MOL_01_025928,NCc1ccc(cc1)C(=O)Cc(c2)cc(c3c24)NNCC3C(=O)N4 -MOL_01_025929,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CC(C)C)CCC(=O)N3CC(C)CC(C)C3 -MOL_01_025930,CC(C)(C)c(c1)ccc(c12)Nc3c(C(N2)N)ccc(c3)Nc4ccncc4 -MOL_01_025931,Nc1cnc(cn1)-c2c(C)c(c(cc2)C3CCC3)Cc4ccnc(n4)N -MOL_01_025932,c1cccc(c12)N=C(c(cc3C)ccc3C)CC(=N)N2CC(=N)Nc4ccc(CN)c(c4)CN -MOL_01_025933,NCc(c1)ccc(c12)N=c3c2ccc4c3=NC=C4C=O -MOL_01_025934,Clc1ccc(cc1)CNC(=C)NC2CCN(CC2)CCN3C(=C)C=Cc(c34)ncc(c4)CC -MOL_01_025935,c1cccc(c12)CC(N)(CN2C)c(c3)ccc(c34)Cc5c(N4)cccc5 -MOL_01_025936,NCc1cc(cc(c1)CN)NC(=C)CC2C(=C)N(c3ccc(Cl)cc3)C(=C)N2CNCN -MOL_01_025937,CNCc1ccc(cc1)N(C(N)=C2CN)N=C(C2=3)NCC(C3)(C)C -MOL_01_025938,Nc1c(C)c(N)nc(c12)c(CCCN)c3c(c2)cccc3 -MOL_01_025939,c1cnccc1C(=N)c(c2=N)cn(c(c23)ccc(c3)C)CC(=N)Nc4ccccc4Cl -MOL_01_025940,CC(C)(C)c1ccccc1CN(C(O)C2O)c(c23)ccc(Cl)c3 -MOL_01_025941,Cc1cccc(n1)NC(C(C)(C)C)(C2C)N=C(N23)CCC3 -MOL_01_025942,CCC(=O)C(CCl)NC(=O)CN1C(=O)CCC(C1=O)NC(=O)c2cc(CC)c(CC)c(c2)CC -MOL_01_025943,c1cccc(c12)CN3C(=NC2)CC(=C3C)c4ccc(cc4)OCCCN5CCCC5CO -MOL_01_025944,c1ccncc1C(C(=N)NC(C)(C)C)N(c2ccc(C(C)(C)C)cc2)C(=N)c3ccc(CN)cc3 -MOL_01_025945,Cc(n1)nc(N)c(c12)N=C(C(C2)(C)C)c3ccc(cc3)C4CCC(CC4)CC(C)O -MOL_01_025946,Cc(c1)c(C)cc(c12)ncn2C(C(C)C)C(=O)CCC(=O)ON -MOL_01_025947,CCC(=O)c1c(C)nc(C)c(c12)C(=O)C(=NC2=O)Cc3ccccc3 -MOL_01_025948,C1CCC12N(CC2)C(=O)C(C(C)(C)C)NC(=O)c3cc(CCC(F)(F)F)c(cn3)C4CC4 -MOL_01_025949,O=C1CCC(=N1)N2N=C(c3ccc(Cl)cc3)CC2c(c4)ccc(c45)cccc5 -MOL_01_025950,Fc1ccc(cc1)N(C2N)CCc(n23)nc(c3)CCc4cccc(F)c4 -MOL_01_025951,c1ccccc1C(CC)NC2=C(O)C(O)=C2Nc3cccc(c3C)C(O)N(C)C -MOL_01_025952,C1CCNCC1C(O)N(C)c2cc(ncn2)-c3ccccc3CN -MOL_01_025953,Cc1ccccc1-c2cnc(cn2)C(O)C(CCON)c3ccc(ON)nc3 -MOL_01_025954,Cc1ccc(cc1)NC(=CC2(C)C(=N)OCC)C(=N)N2c3ccc(C)cc3 -MOL_01_025955,C1CCCCN1C(N)n2cc(N)c(-c3ccc(F)cc3)c2-c4ccncc4 -MOL_01_025956,Nc1ccccc1-c2nc(C)n(n2)Cc3ccccc3 -MOL_01_025957,c1cccc(C(=O)NC2)c1OCC23CCN(CC3)c4ncc(F)cn4 -MOL_01_025958,CNc1ccc(cc1)-n2cc(nn2)CN3C(=O)CCc(c34)cccc4 -MOL_01_025959,CCCC(C)(C)NC(=O)c1c(N)cccc1C(=O)Nc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_025960,Cc1nnc(C)n1-c2ccc(cc2)CC(c(c34)cc(Cl)cc4Cl)C(C3)N5CCCNCC5 -MOL_01_025961,NCc1ccc(cc1)C(C2=O)=Nc(c23)c4c(nc3)ccc(Cl)c4 -MOL_01_025962,C1CCCc(c12)nc(nc2N)CCc3ccc(Cl)cc3 -MOL_01_025963,Cc1ccc(cc1)CCC(NC2O)Nc(n23)c(C)nc3C -MOL_01_025964,c1ccc(c12)nc(N)n(c2N)CCC(N)C(Cc3ccccc3)CCc4ccccc4 -MOL_01_025965,O=C1C(C)CN(C2CC2)c(c13)cc(c(c3)N)N4CCN(C)CC4 -MOL_01_025966,NCc1ccc(cc1)-c2ccc(n23)c4c(CC3(C)C)cc(CN)c(c4)CN -MOL_01_025967,CN(C)CCCc(c1)c(CC)cc(c12)c(c(cn2)C(N)O)Nc3ccc(F)c(Cl)c3 -MOL_01_025968,c1cccc(c12)CCN2Cc3ccc(OC)c(c3)C(=N)NCC(c4ccco4)N5CCCC5 -MOL_01_025969,CN1CCC(C1)Cc2ccc(c(c23)cccc3)-c4cccc(n4)N -MOL_01_025970,CCc(n1)ccc(c12)nccc2N3CCC(C3)CCCNCc(c4)ccc(c45)CCC(=O)N5 -MOL_01_025971,O1CCOc(c12)ccc(c2)-c3nn(C)cc3CC4CCCCC4c5ccccn5 -MOL_01_025972,c1ccccc1CC(C(=O)C)NC(=O)NCc2ccccc2 -MOL_01_025973,Nc1ccc(N)c(c1)CC(N)c2cc(-c3ccccc3)nn2-c4ccccc4 -MOL_01_025974,NCCN(C)Cc(n1C)cc(c12)cc(cc2)CCc3ccc(CC(N)N(C)C)c(c34)nccc4 -MOL_01_025975,Oc(n1)ccc(c12)cc(cc2N)-n3cc(nc3N)-c4ccccc4 -MOL_01_025976,NCc1ccc(nc1C)CC(C2(C)C)C(C)(C)C2NC(=O)c3c(C)nc(n34)cncc4 -MOL_01_025977,Cc1cc(ccn1)-n(n2)cc(c23)CN(C3)C(N)c4cc(CN)ccc4CCC5CC5 -MOL_01_025978,NC(O)CCCCCN(C1O)c(cc(Cl)cc2)c2Nc(c13)cccc3 -MOL_01_025979,CC1CN(CCN1)c(c2C)c(C)cc(c23)c(=N)ccn3C4CC4 -MOL_01_025980,C1CC(N)=NC12c3c(ccc(c3)CN)Cc4c2cc(cc4)-c5ccc(Cl)cc5 -MOL_01_025981,c1ccccc1-c2nc(N)c(CN)c(c2N)-c3cccnc3 -MOL_01_025982,CC(C)CNC(=N)C1(C)NC(=N)C(=C(C1)c2ccc(C)cc2)C(=N)Nc3ccc(CN)cc3 -MOL_01_025983,CCCc1cnc(cn1)C(=C)Nc2ccc(C)c(c2)C3(C(C)C)CCCC(=N3)N -MOL_01_025984,O1NOc(c12)ccc(c2)C3CCC(=N)N3CCNc4ccnc(c45)cc(Cl)cc5 -MOL_01_025985,CCC(C)NC(N)c(c1)cc(c12)c(N)n(C)c3c2cccc3 -MOL_01_025986,CCC1=NC(C)=C(C(O)CC)C(N1)c2ccccc2CC -MOL_01_025987,COc1cccc(c1)CNC(=O)C(N=2)=NC(=O)C(C23)=C(C=C3)COCc4ccc(C(=O)N)cc4 -MOL_01_025988,NCCCC(=C)CC1C(C(=C)CCCN)=C(N)Cc(c12)ccc(c2)-c3ccnc(c3)NC -MOL_01_025989,NC1=NCNc(c12)nc(-c3ccc(Cl)cc3)c(n2)-c4ccc(Cl)cc4 -MOL_01_025990,NOc1cccc(c12)nc(c3n2cnc3)Cc4c(N)cccc4Cl -MOL_01_025991,Cc1cc(F)ccc1Cc(nc(c23)cccc3)c(n2)C(=O)Nc4cccc(c4)CN -MOL_01_025992,c1ccccc1CN2C(C)=C(C(C)=N)C(NC2=N)c3cccc(F)c3 -MOL_01_025993,CN(O)c(n1)cn(c12)CC(CC2)CCc3ccc(cc3)-c4cc(F)cc(F)c4CN -MOL_01_025994,c1cccc(c12)nc(CC)c(C)c2C(=N)OCCN(C3=N)C(=N)c(c34)cccc4 -MOL_01_025995,NCc(c1)c(CN)cc(c12)nc(nc2N)N3CCC(CC3)CCCO -MOL_01_025996,CNC(=N)CN(C(=N)C1)c(cccc2)c2C13CCN(CC3)C4CCC(C(C)C)CC4 -MOL_01_025997,c1cccc(c12)c(c(CF)c(=O)n2C)Cc3ccc(C(N)N)cc3 -MOL_01_025998,NCc(c1)ccc(c12)n(nc2N)C(N)c3cnc(cn3)CCc4ccccc4 -MOL_01_025999,c1cccc(c12)c(CO)c(N)n2Cc3ccccc3F -MOL_01_026000,Cc1ccc(cc1)C2CC(c3ccc(C)c(C)c3)=NN2C4=NC(O)CC4 -MOL_01_026001,Cc(n1)cc(C)c(c12)C(O)CC(C2)c3ccc(CN)c(c3)CN -MOL_01_026002,C1CNCNC1CCc(ncn2)c(c23)cc(cc3)-c(c4)ccc(c45)CCC5 -MOL_01_026003,Cc1cccc(c12)c(O)nc(c2)-c3ccc(nc3)C(O)N4CCN(C)CC4 -MOL_01_026004,c1cccc(c12)nc(n2C)C(=O)c3ccc(cc3)Cc4ncccc4-c5ccc(CN)cc5 -MOL_01_026005,Nc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)CCC(O)CN4CCC(O)C4 -MOL_01_026006,Clc1ccc(cc1)C(CCCN(C)C)NC(N)c2ccccc2 -MOL_01_026007,c1ccncc1-c2cc(C)c(cc2)NC(=O)c3ccccc3 -MOL_01_026008,CCC(O)c1c(C(O)CC)nn(c12)ccc3c2cccc3 -MOL_01_026009,C1CCc(c12)nc(nc2N)CCc3ccc(Cl)cc3 -MOL_01_026010,Fc1ccccc1C(O)Cc2c(C(O)C3CCOCC3)cnn2-c4ccccc4 -MOL_01_026011,Cc(n1)cc(O)n(c12)nc(c2)N(C)CC(O)NCc3ccccc3ON -MOL_01_026012,Clc1ccc(cc1)N2C(C)=NN(C2=3)CC(O)N(C3)c4ccc(Cl)cc4 -MOL_01_026013,NCCC(=O)C1=C(N)NC(CC)=NC1c2ccccc2C(C)(C)C -MOL_01_026014,CCc1ncnc(c12)ccc(c2)CN(CC)c3ccc(cc3)C(=O)NC(C(=O)C)CCC(=O)C -MOL_01_026015,CCCC(=O)c1cc(CN)c(nc1C)N2CC(C2)C(=O)NCCc3ccccc3C -MOL_01_026016,CCc1ccc(cc1CF)C(=O)C(C)CC(=O)C(C2)CNc(c23)cccc3 -MOL_01_026017,NCc1cccc(c1)CC(=O)Cn2c(N)c(CN)c(c23)cccc3 -MOL_01_026018,CC(F)(F)CCC1(O)CCN(CC1)C(=O)c2ccc(cc2CN)NCc3cccc(c34)nccn4 -MOL_01_026019,C1CC1Cn(cc2)c(c23)C(N)c4c(C3N)ccnc4 -MOL_01_026020,CCc1ccccc1N2CCN(CC2)C(=O)CN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_026021,CCNC(=N)C1CCCN(C1)Cc(c2)ccc(c23)N(C)C(=N)C3(C)C -MOL_01_026022,CC1(C)CC(C(N)N)N(C1)C(N)c2ccc(N(C3)CC3(F)F)c(n2)CCC4CC4 -MOL_01_026023,CCCN(C1=N)C(=N)N=C(C1=2)N=C(N2)c3ccc(cc3)OCC(=N)NCCCCc4ccccc4 -MOL_01_026024,N1NNc(c12)ccc(c2)NC(=N)C(C)CCC(N=3)=NC(=N)C(C34)=C(C=C4)c5ccccc5 -MOL_01_026025,c1cccc(c12)nc(nc2N)CCC(N)NC(CO)Cc3ccccc3 -MOL_01_026026,CNc1nccc(c12)c(ccc2)CC(C)C(=O)N3CCN(CC3C)C(=O)c4ccccc4 -MOL_01_026027,Cc1ccc(cc1)-n2nnnc2CCC(O)c3cc(C)n(c3C)CC4CCCO4 -MOL_01_026028,CCC(CC)CNNCC(C(=O)C1)C(=O)C12c3c(NN2)cccc3 -MOL_01_026029,Fc1cnc(cc1)CCC2CCC(C)N(C2)C(=N)c3c(F)cccc3-c4ncccn4 -MOL_01_026030,COc1ccc(cc1)-c(n2)nc(n(c23)nc(c3)O)CCCOc4ccccc4C -MOL_01_026031,Nc1nccc(c12)nc(CCC(N)(N)N)c(c2)-c3ccc(F)cc3 -MOL_01_026032,c1ccccc1-c(c2)ccc(c23)N(C(=N)C3=N)Cc4ccc(ON)cc4 -MOL_01_026033,C1CCc(c12)n(nc2C(C)(C)C)CC(=N)Nc3cc(Cl)ccc3CN -MOL_01_026034,CC1CNC(NC1)Cc(c2)ccc(c23)nc(N)c4c3C(C)CNN4 -MOL_01_026035,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)C(C)C)CCC(=O)N3CCCCCC3 -MOL_01_026036,c1cccc(c12)CCN2C(=N)CCC(=N)c3ccc(CN)c(c3)CN4CCCCC4 -MOL_01_026037,NCCC(CN)Cc(c1)cc(c(c12)ncn2C(N)N)NCc3ccccc3 -MOL_01_026038,CNc1cc(C(F)(F)F)cc(c12)c(O)nc(c2)N3CCN(CC3)C(O)Cc4ccc(OC)cc4 -MOL_01_026039,CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=NN=C(C3=4)C=C(C4)C(=O)Nc5ccccc5 -MOL_01_026040,c1ccccc1-c2cc(C)c(CN)c(n2)N(C)NC(=O)C3CC3 -MOL_01_026041,Nc1ccc(c(n1)N)-c(c2)cc(N)c(c23)C=C4C(C3)CC(C4)N -MOL_01_026042,CN1C(=N)Cc(c12)cc(cc2)-c3ccc(cc3)CC(CN)NC(=N)C(NC45)C(CC4)CC5 -MOL_01_026043,Cc1ccnc(n1)N2C(=O)CCC2c3c(C)cccc3Cl -MOL_01_026044,n1nnnc(c12)C3C(CC2)c4c(CN3C)nnnn4 -MOL_01_026045,CN1C(=N)Cc(c12)ccc(c2)-c3ccc(cc3)CC(CN)NC(=N)C45CCC(CC4)CN5 -MOL_01_026046,c1ccccc1-c2cnc(cc2)NC(N)Cn3cnc(c3)-c4ccccn4 -MOL_01_026047,CCCC(O)c(n1)nc(n12)c(C)nc3c2cc(N)cc3 -MOL_01_026048,CCCCNC(C)c(c1C)cnc(n12)cc(n2)N3CCC(C)CC3 -MOL_01_026049,CCCNC(=O)C(CC)(CC)NC(=O)c1ccc(N(C2)CC2(C)C)c(n1)CCC3CC3 -MOL_01_026050,CC1CCC(CC1)CC(=N)c(cc(c23)cccn3)c(=N)n2CCCCCO -MOL_01_026051,NOc1ccccc1CC(N)c2cnc(n23)ccc(c3)-c4ccccc4 -MOL_01_026052,C1CCC(C12)N(C(=N)N2C)c3ccc(cn3)CCc4cccc(F)c4 -MOL_01_026053,Nc1nc(C)cc(n12)nnc2CCC(O)N3CCN(CC3)c4ccccc4 -MOL_01_026054,CCC(O)CNC(O)c1ncc(cc1C)-c2cn(nn2)Cc3ccccc3 -MOL_01_026055,c1ccc(CN)c(c12)N=Nc3c(N2C)cc(cn3)-c4ccc(F)cc4 -MOL_01_026056,COc1ccccc1-n2c(O)cc(=O)nc2CCC(=O)NC(C)(C)C -MOL_01_026057,NCc1ccc(cc1CN)C(CC2=N)Cc(n23)nc(n3)C45CC6CC(C4)CC(C6)C5 -MOL_01_026058,N1NC1Nc(c2N)c(CN)nc(n23)nc(c3)C(Cl)c4ccccc4 -MOL_01_026059,O=C1N=CN=C(C1=2)c3c(C2)c(Cl)ccc3Cl -MOL_01_026060,c1cc(N)nc(c12)nc(cc2C)-c3ccc(N)cc3 -MOL_01_026061,CCCCCCc1c(CN)cc(NC(C)CCCN)c(c12)nccc2CC -MOL_01_026062,c1cccnc1C2N(C)C(N)c(c23)cc4c(c3N)cccc4 -MOL_01_026063,c1cccc(c12)nc(C)c3c2n(nc3N)-c4cccc(N)c4 -MOL_01_026064,Cc1cccc(c1)N2CCN(CC2C)C(=O)CN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_026065,c1ccnc(c12)nc(cc2C)-c3ccccc3CN -MOL_01_026066,CN(C)CCCN1C(N)=NC(C(=C12)CCC2)=C=CC(N)Nc(c3)ccc(c34)CCCC4 -MOL_01_026067,C1=CC=C(C1=2)N=C(N2)C(C)Cc3nccc(c3CN)CCC(F)(F)C(F)(F)C(F)(F)F -MOL_01_026068,c1cccc(c12)=C(COC(=O)C)C(=O)C=2c(c3)ccc(c34)OCO4 -MOL_01_026069,c1ccccc1C(C2)C2(C(=O)O)N(CCN3CCCC3=O)Cc4ccc(cc4)-c5ccncc5 -MOL_01_026070,c1cnccc1CNc2ccccc2-c3cn(cn3)-c(n4)ccc(c45)cccc5 -MOL_01_026071,CCCCC(CN(C)N)c1ccccc1N(N)Cc2cc(C)nn2-c3ccc(Cl)cc3 -MOL_01_026072,CC=1C(C)=Cc(c12)cc=3c(c2)C(C)=C(C(=O)C3)CCC(=O)NCCCn4ccnc4 -MOL_01_026073,CN(C)CC(O)Nc(c1C)ccc(c12)nc(cc2O)NC(C)c3ccccc3 -MOL_01_026074,c1ccncc1CC(NC2)C(C)c(c23)ccc(c3)CNc(n4)ccc(c45)cccc5 -MOL_01_026075,C1CCc(c12)nn(C(C)(C)C)c2NC(O)c3cccc(Cl)c3 -MOL_01_026076,CNc1ccc(cc1NC)CCNC(=N)c2cc(nc(c23)cccc3)-c4ccccc4 -MOL_01_026077,CCn1cc(cn1)CC2(O)CCN(CC2)C(=O)c3ccc(cc3)NCc4cccc(c45)nccn5 -MOL_01_026078,CNc1cc(ncn1)N(CC2)CC2(C)CNC(O)c3ccc(C)nc3 -MOL_01_026079,CC(C)c1ccccc1C2C=CC(N)Nc(c23)ncc(Cl)c3 -MOL_01_026080,Cc1cc(CN)nc(n1)N2C(=N)CCC2c3c(C)cccc3Cl -MOL_01_026081,Fc1ccccc1CN(C)Cc2c(N)ncnc2CCc3ccc(nc3)N4CCOCC4 -MOL_01_026082,CCCC(=O)c1cc(CN)c(nc1C)N2CCC(CC2)NC(=O)NCCc3ccccc3 -MOL_01_026083,CNc1c(NC)cc(cc1NC)C(=N)n2ccc(c23)c(NC)ccc3 -MOL_01_026084,c1ccccc1NC(=C)CC2C(=C)N(c3ccc(CN)cc3)C(=C)N2CCc4ccc(CN)cc4 -MOL_01_026085,c1ccnc(c12)nc(O)c(c2NC)C(O)NCc3ccc(F)cc3F -MOL_01_026086,CC(C)C(N1C)C(=N)NC(CN)Cc(c12)cc(cc2)NC(=N)CCCCc3ccccc3 -MOL_01_026087,Nc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)CCC(O)CN4CCCC4 -MOL_01_026088,CCc(c1)cc(C)c(c12)nnc(C(=O)N)c2Nc3cncc(Cl)c3 -MOL_01_026089,Cc1ccc(n12)ncc(c2N)C(N)C(CC)c3ccccc3C -MOL_01_026090,CCC(C)CNC(=O)c(cc(c12)CCC2)c(c1F)Nc3ccc(N)cc3F -MOL_01_026091,c1cccc(c12)ccc(c2)C(C)NCN(C)c3ccn(C)c(c34)n[n+]([O-])c4 -MOL_01_026092,NCc1ccc(cc1)CCNC(=C)C(C)NC(=C)C2CC=c(n23)c4c(c3=C)cccc4 -MOL_01_026093,CC1(C)CC(=N)C=C(C1=N)c2ccc(cc2)-c(c3)cnc(c34)cccc4 -MOL_01_026094,C1CCCCN1CCC(=NC2=C)C=C(N23)c4c(CC3)cc(cc4)NNCCN -MOL_01_026095,C1CCCCN1C2=C(Cl)C(O)N(C2O)c3ccc(Cl)nc3 -MOL_01_026096,CCN(CC)CCNc1ccc(C)c(c12)cc3c(c2=N)cccn3C -MOL_01_026097,Cc1ccc(cc1)CNC(=N)Cc2ccc(cc2)N(C3=N)C(=N)N=C(C3=4)C=CC4 -MOL_01_026098,CCCC(=N)C(C=1)=C(N)C(C12)=CC(=N)N2c3ccccc3 -MOL_01_026099,Cc1cc(O)nc(c12)cc(cc2)N3C(=C=CC3O)c4ccccc4 -MOL_01_026100,c1cccc(c12)c(cc(=O)n2CN)CCC(=O)Cc3cccnc3 -MOL_01_026101,CCN1CCC(CC1)N(C)C(O)c2cc(ccc2F)-c3ccnc(C)c3CCc4ccc(N)nc4 -MOL_01_026102,CCCCn1c(=N)c(C(C)=N)c(C)c(c12)cccc2 -MOL_01_026103,FC(F)(F)Cc(c1)ccc(c12)C(N)C(N)N2Cc3ccc(cc3)-c4ccccc4 -MOL_01_026104,c1ccn(c12)c=3c(n2)C=C(C3)C(N)CCc4ccc(Cl)cc4 -MOL_01_026105,c1cccc(c12)CCN2C(O)CN3CCN(CC3)c4ccccn4 -MOL_01_026106,CCCC(=O)C1=C(NC(=O)NC1C)CCC(=O)c2cc(CC)c(CC)cc2NC -MOL_01_026107,Clc1ccc(cc1)C(N)N(C)c2cc(ncn2)N3CCCC(C3)C(C)(N)N -MOL_01_026108,NC(=O)CCN(C(C)(C)C)C(=O)c1ccc(N(C2)CC2(F)F)c(n1)CCC3CC3 -MOL_01_026109,c1cc(Cl)c(F)c(c12)cc(n2C)C(=O)C3CCC(CC3)C(=O)CCN -MOL_01_026110,Fc1ccc(cc1)N(c(c23)c(C)n(n3)C)CN(N2)NNc4ccccc4 -MOL_01_026111,CCc1ccccc1CCc(c2)cc(c3c24)NNCC3C(=O)N4 -MOL_01_026112,Cn1ccc(c12)c(ccc2)C(=N)c3cc(CN)c(CN)c(c3)CN -MOL_01_026113,OC1CCCC(=C12)CC(N)=C(CN)C2c(c3)cc(CN)c(c34)CCC4 -MOL_01_026114,c1cnccc1-c2nnc(n2C)CCC(O)N3CCN(CC3)c4cccc(Cl)c4 -MOL_01_026115,CCc1nn(C)cc1-c2nnc(n2C)CCC(=O)N3CCC(CC3)Cc4ccccc4 -MOL_01_026116,CCc1ccccc1NC(N)Cn2c(nc(c23)cccc3)CCC(N)NCc4ccccc4 -MOL_01_026117,O=C1CC(C)(C)CC(=C12)CC(N)=C(CN)C2c3cc(CC)c(cc3)CCCN4CCCCC4 -MOL_01_026118,CC(O)CNC(O)c1ncc(cc1C)-c2cn(nn2)Cc(c3)ccc(c34)cccc4 -MOL_01_026119,C1COCCN1CCNC(O)c(c2O)c(O)nc(c23)cc(cn3)Cc4ccc(F)cc4 -MOL_01_026120,Cc1nn(C)c(C)c1NCc2c(Cl)cc(cc2Cl)-c3ccc(nc3)N4CCNCC4 -MOL_01_026121,Clc1ccc(cc1)C2C(C(=O)C(O)=C2C(=O)N)CCCn3ccnc3 -MOL_01_026122,c1ccc(F)c(c12)n(cc(c2=N)C(=N)N)Cc3ccc(cc3)C4CC4 -MOL_01_026123,Cc1ccn(C)c(=N)c1-c2ccc(cc2)CC(C(=N)N)NC(=N)c3c(Cl)cccc3Cl -MOL_01_026124,C1CCCN1C(=N)C(c(c23)cccc3)N(C2)C(=N)c4cc(Cl)c(N)cc4N -MOL_01_026125,OCCNCCC1=Cc2c(cc(O)cc3)c3nc(c2c14)c(NBr)cc4 -MOL_01_026126,Cc1ccc(cc1)-c2cc(nc(n2)N3CCCC3)-c4cc(CN)ccc4CN -MOL_01_026127,NCc(cc1)cc(c12)cc3c(c2=C)=C(CCC(C)C)c4c3cc(cc4)CN -MOL_01_026128,c1ccccc1C2(c3cc(C)c(C)cc3)NC(=N)N(C2=N)CC(=N)N(C)C4CCCC4 -MOL_01_026129,C1CCCc(c12)c(nnc2N)Cc3ccc(F)c(c3)C(N)C4CCC(CC4)C(N)C5CC5 -MOL_01_026130,Cc(c1)ccc(c12)c3c(nc2N)CCN(C3)C(N)CCN4CCCCC4 -MOL_01_026131,Fc1ccc(cc1)CNc2cc(cnc2Cl)-c(n3)ccc(c34)nccc4 -MOL_01_026132,CC1CC(C)CN(C1)c2cnnc(c23)c(CN)c(CN)c(c3)CN -MOL_01_026133,c1cccnc1C2=NC(N)(N)C(=N)c(c23)ccc(c3)C(F)(F)C(F)(F)F -MOL_01_026134,NCC(C)(C)c1ccc(cc1)-c2ncnc(CC)c2CCc3ccc(N)nc3 -MOL_01_026135,CC1(C)CC(N)C=C(C1N)c2ccc(cc2)-c(c3)cnc(c34)cccc4 -MOL_01_026136,Cc1nn(C)cc1CN2CCCC(C2)n3c(O)cc(c34)ccc(Cl)c4 -MOL_01_026137,C1=NN=c(c12)cc(N)c=3c2c4c(N3)ccc(Cl)c4 -MOL_01_026138,CC(C)C(N)C(=O)Cc1c(N)n(C)n(c1=O)-c2ccccc2 -MOL_01_026139,Cc1cn(cn1)-c2ccc(cc2OC)CCc(n3)nc(O)c(c34)ccc(c4)C -MOL_01_026140,CNC(O)CCc1c(CCC(O)NC)c(n(C)c1C)-c2ccc(F)cc2 -MOL_01_026141,Cc(n1)nnc(c12)c(N)n(c2)-c3nnnc(Cl)c3Cl -MOL_01_026142,COc1ccc(OC)c(c1)-n2ccnc2CCC(=O)Nc3ccc(cc3)C(=O)N4CCCCC4 -MOL_01_026143,CC(C)c1nnc(n12)CN(CC2)C(O)CN(C3O)Cc(c34)cccc4 -MOL_01_026144,Clc1ccccc1C(CC2)=Nn(c23)c(nn3)-c4ccncc4 -MOL_01_026145,c1cnccc1-c2nnc(n2C)CCC(=O)Nc3cccc(c3)CN4CCOCC4 -MOL_01_026146,Cc1ccc(cc1)CNC(N)C2CCN(CC2)c(n3)cc(n34)nc(C)cc4N -MOL_01_026147,c1cccc(c12)nc(n(c2=O)CCOC)CCC(=O)c3ccc(o3)CNC(=O)C -MOL_01_026148,C1CN(C)CC(C12)c3c(CC2(N)N)cc(cc3C)CN(C45)C6CN(C4)CN(C6)C5 -MOL_01_026149,c1ccnc(c12)CCC2C(=O)NC3CCCc(c34)cccc4 -MOL_01_026150,c1cc(N)cc(c12)nc(C)c(c2N)-c3cnn(c3)-c4ccccc4 -MOL_01_026151,C1CCc(c12)ccc(c2)C(CC3N)C(CN)=C(N34)CCN(C4)Cc5ccccc5 -MOL_01_026152,NC(N)CCC(C)(N1)CC(N)c(c12)ccc(c2)NCc3cccc(c3)NCc(n4)ccc(c45)cccc5 -MOL_01_026153,CC(C)C(C(C)N)c1nc(c2n(c13)cnn3)cc(Cl)c(Cl)c2 -MOL_01_026154,CNc(c1)c(NC)cc(c12)CCCNC2CNCCN3CCN(CC3)c4ccccc4NC -MOL_01_026155,Cc1ccccc1CCCC(C(=O)C2)C(=O)C23c4c(NN3)cccc4 -MOL_01_026156,COc1cccc(OC)c1CNc(n2)nc(n23)c(OC)cnc3OC -MOL_01_026157,Clc1ccc(cc1)NC(=O)c2cnc(c23)cccn3CNc4ccncc4 -MOL_01_026158,C1CCC1C(=N)N2CCCN(CC2)c(c(c3)CN)nc(c34)c(N)ccc4 -MOL_01_026159,CCC(CC)C(=O)CC(C1=O)=NC=C(C1=2)c3c(N2)cccc3 -MOL_01_026160,CCc1ccc(cc1)CNC(=N)CCC(=N)N2Cc(cccc3CN)c3Cc(c24)nccc4 -MOL_01_026161,CCCC(N)c1c(N)nc(C)c(c12)CC(CC2)c3ccncc3 -MOL_01_026162,CCN1CCCc(c12)cc3c(n2)ncc(c3C)C(C)O -MOL_01_026163,CCc1ccncc1-c2nccc(c23)cc(cc3)CNc4ccncn4 -MOL_01_026164,Clc1ccccc1-c(c2)c(C)nc(c23)nc(nc3)CN -MOL_01_026165,c1ccc(Cl)c(c12)ccn2C(=O)C3CCC(N3)c4cccnc4 -MOL_01_026166,CC1CCN(CC1)CC(=O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(=O)CN5CCC(C)CC5 -MOL_01_026167,Fc1cc(ccc1)CCc(n2)n(c(=O)c(c23)cnn3C)CCc4ccccc4 -MOL_01_026168,CC(O)CCn1cc(cn1)-n2c(C(N)O)cc(c23)ccc(c3)CC(F)(F)F -MOL_01_026169,CC(=O)C(C)(C)CCC(=O)CCc1ccc(c(C)c1)OC(C)C -MOL_01_026170,CNc(c1)ccc(c12)C3C(N2)c4c(NC3)c(N)c(N)cc4 -MOL_01_026171,CCOc1ccccc1NC(=N)CN2C(=N)C(=N)c(c23)cccc3 -MOL_01_026172,c1cnccc1-c2nnc(n2C)CCC(=O)N3CCN(CC3)Cc4ccccc4 -MOL_01_026173,n1ccnc(c12)c(C)c3c(c2CC)CN(C3=O)Cc4ccc(C)cc4 -MOL_01_026174,CCc1ccc(nc1)C2CC2CCc3nc(C)ncc3-c4ccc(=O)n(n4)C -MOL_01_026175,c1cccc(c12)n3c(n2)cc(c(c3C)CN)-c4ccccc4 -MOL_01_026176,CNC(=O)CCc1c(CCC(=O)NC)c(n(C)c1C)-c2ccc(Cl)cc2 -MOL_01_026177,CN(C)CCNc1cc(c2c(c13)nccc3)c4c(CN2)cccc4 -MOL_01_026178,OCCC1=CN=c(c12)c=3c(cc2)c4c(N3)cccc4 -MOL_01_026179,O=C(C)c(c1=O)cn(C2NN2)c(c13)cc(cc3)C4CC(N)CC(N)C4 -MOL_01_026180,Cn1cccc1Cc2nnc(n2-c3ccc(F)cc3)CCC(O)NCc4ccccc4Cl -MOL_01_026181,NCc1c(CN)cc(cc1CN)-c2nccn2-c(c3)ccc(c34)cccc4 -MOL_01_026182,Cc(c1)ccc(c12)N=C(O)C2Cc3cc(OC)c(cc3)-n4cnc(C)c4 -MOL_01_026183,Cc1ncc(c(n1)C)CCC2(c3ccccc3)CC2C(=O)Nc4cccc(F)n4 -MOL_01_026184,Cc(n1)ccc(c12)cc(cc2N)-n3cc(nc3N)-c4ccccc4 -MOL_01_026185,NCc(c1)c(CN)cc(c12)c(c(N)nc2CCC)Cc(c(n3)CC)cc(c34)cc(cc4)CN -MOL_01_026186,Clc(n1)ccc(c12)nc(n2C)CCc3ccc(cc3)CC4C=C(O)NC4O -MOL_01_026187,C1C=C1Cc(c2CC)c(CN)nc(n23)nc(c3)C(O)c4ccccc4 -MOL_01_026188,NCc1cc(N)c(Cl)cc1C(=O)CCCN2CCC(CC2)CNC(=O)c3ccccc3F -MOL_01_026189,Cc1ccnc(n1)N2C(=C=CC2O)c3c(C)cccc3C(C)(C)C -MOL_01_026190,NCc(cc1)cc(c12)NC(=N)C2(N)Cc3ccccc3CN -MOL_01_026191,NCCCCc1cc(C)c(cc1)-c2nccc(c2N)C(=N)c3ccc(F)cc3F -MOL_01_026192,CN(C)CCN(C)C(O)c1ccc(cc1)-c2cnc(N)c(n2)C(O)Nc3cccnc3 -MOL_01_026193,c1ccoc1C(N2)N(CC(=N)ON)C(=N)c(c23)cccc3 -MOL_01_026194,FC(F)(F)c1cccc(c1ON)-c2nccc(c23)cc(cc3)CNc4ccncn4 -MOL_01_026195,CNc1cccc(c1C)C(N)N(CC2)CCC23Cc4c(C(N)C3)cccc4 -MOL_01_026196,NCc(c1)ccc(c12)NC(O)CC2(C(F)(F)F)CCC3CC3 -MOL_01_026197,Cn1nccc1C(O)Nc2ccc(c(n2)N)-c3ccccc3CC(C)(C)C -MOL_01_026198,c1cccc(c12)ccc(n2)CC(C(=N)N)NC(=N)NCC3c(cccc4)c4c(c35)cccc5 -MOL_01_026199,Cc1cccc(C)c1NC(=O)CCCc2nc(cc(n2)C(F)(F)F)-c3ccc(CN)cc3 -MOL_01_026200,NCC1=C(C)NC(=O)C1(C(C)(C)C)NC(=O)c2ccc(Cl)cc2 -MOL_01_026201,c1ccncc1C2(C)N(N=C(C)C2)C(O)Cc3ccc(C)cc3 -MOL_01_026202,c1cccc(C(=O)NC2)c1OCC23CCC(CC3)c4ncc(F)cn4 -MOL_01_026203,Nc1ccccc1Cc(n2)cc(c(c23)cccc3)C(N)CC4CCCC4 -MOL_01_026204,C1CC(O)CCC12CCN(C(=O)C2)C(C)c3ccc(cc3)-c4ccc(nc4)C(=O)N(C)C -MOL_01_026205,Cn1ccc(cc1=N)C(=N)NCc(c2=N)cn(c(c23)cc(Cl)cc3)-c4ccccc4 -MOL_01_026206,Cc1cc(N)nc(c12)cc(cc2)N3C(N)CCC3c4cccc(Cl)c4 -MOL_01_026207,CC(=C1)C(C)C(=N)C12C3(CCC(CN)CC3)Cc4c2cc(cc4)CC5CC5 -MOL_01_026208,CCCc1ccc(C)cc1NC(=N)CN(C(=N)N2)C(=N)C2(C)c3ccc(C)cc3 -MOL_01_026209,Cc1ncnc(c12)OC(N)(N)C(=C2)c3ccc(cc3)C4CCCCC4 -MOL_01_026210,NCc(c1)c(CN)cc(c12)cc(nc2CC)-c3cccc(c3)-c4ccccc4 -MOL_01_026211,Cn1cccc1Cc2nnc(n2-c3ccc(cc3)OC)CCC(=O)Nc4cc(C)cc(C)c4 -MOL_01_026212,CC(N)c1cccc(c1)CCc(n2C)nc(c23)ccc(n3)Cc4ccc(F)cc4 -MOL_01_026213,CCNC(=N)n1c(=N)oc(c12)cc(cc2)CN3CCCCC3 -MOL_01_026214,Clc1ccc(cc1)C(C)CC(N)CCc(n2)nc(N)c(c23)cccc3 -MOL_01_026215,c1ccncc1-c2nnc(n2C)CCC(O)NC3(CN)CCCCC3 -MOL_01_026216,Nc1cccc(c12)c(=N)n(c(n2)N)-c3ccc(cc3)CNCCN4CCCC4 -MOL_01_026217,C1CCCc(c12)c(nnc2N)Cc3cccc(c3)NC(N)c4ccccc4C(N)c5ccccc5 -MOL_01_026218,Cn1cccc1Cc2nnc(n2CCc3ccccc3)CCC(O)Nc(c4)ccc(c45)CNC5 -MOL_01_026219,Cc1nn(C)c(C)c1N(CC(F)F)Cc2ccc(cc2)-c3ccnc(c3)N4CCNCC4 -MOL_01_026220,CC(C)(C)c1ccc(cc1)C(N=2)=NC(=O)C(C23)=Cc4c3cccc4 -MOL_01_026221,CC1CCC(CC1)C(=N)C(C2)Cc(c23)nccc3-c4cccc(c4)C(=N)N -MOL_01_026222,Nc1ccccc1-c2nncc(c23)nc(cc3)Cc4ccc(F)cc4 -MOL_01_026223,Fc1ccc(cc1)CC2NC(CCC2=O)C(=O)NCc3ccccc3 -MOL_01_026224,n1nc(=C)cc(c1=2)N(C)N(N(N2)CC)CCC(C)C(C)(C)C -MOL_01_026225,Fc1ccc(cc1F)C(CC(=N)N2)c(c23)c4c(cc(CN)c(c4)CN)c5c3cc(CN)c(c5)CN -MOL_01_026226,CC(N)c1cc(Cl)ccc1NC(N)c2cccc(c2)-c(c3)cnc(c34)cccc4 -MOL_01_026227,c1ccnc(c12)nc(nc2N)CCCCc3cccc(Cl)c3 -MOL_01_026228,CNc1c(C)nn(C)c1C(O)Nc2c(C)nn(c2C)Cc3c(C)c(C)c(C)c(C)c3C -MOL_01_026229,c1ccccc1CN(C(=CCC2)C23C(=N)OCC)C(=N)C(C3)CC(=N)N4CCCC4 -MOL_01_026230,CCc1ncc(c12)nc(C)n(c2O)CC(O)O -MOL_01_026231,N1NC1C(=N)CC(N=2)=Cc(c23)c4c(cc3)=CC(=N4)N -MOL_01_026232,Oc1ccc(nn1)-c2ccc(o2)CNc3ccccc3Cl -MOL_01_026233,CC(C)(C)c1ccc(NC(=O)CCN)c(c1)C2CCCCC2 -MOL_01_026234,CCCC(=O)c(n1)ncc(c12)Cc3c2nnnn3 -MOL_01_026235,Cc1cccc(c1)-c2cncc(c2)C(=O)C3CC(=O)Cc(c34)cccc4 -MOL_01_026236,CCOC(=O)Cc1ccc(n12)CC(\C2=O)=C/c3cccc(Cl)c3Cl -MOL_01_026237,NCc1ccc(cc1)C(=C2)N(CC(C)C)C=C(C2=3)C(=N)C(C)(C(C3)=N)CC(=N)CCc4ccccc4 -MOL_01_026238,Cn1c(O)cnc1C(C)(C)CC(O)c2ccc(C3CC3)c(n2)OCC4CC4 -MOL_01_026239,c1ccncc1CCc(c2C)ccc(c23)c(N)nc(c3)N(c4cccnc4)Cc5cccnc5 -MOL_01_026240,CCCC(=O)CC1C(C(=O)CCC)=C(N)Cc(c12)ccc(c2)-c3cc(F)cc(F)c3 -MOL_01_026241,c1cccc(c12)OCC(=O)C(Cc3ncccc3)C2C(=O)CC4CCCCC4 -MOL_01_026242,c1ccccc1-c(c(N)c(c2c34)ccc3)c(=N)n2c5c4cccc5 -MOL_01_026243,CN(C)CCn1c(C)nc(c12)C(O)c3c(C2O)cccc3 -MOL_01_026244,c1ccccc1-c2c(CN)c(C)nc(n2)CCc3nc(N)nc(n3)N4CCCCC4 -MOL_01_026245,Cn1c(O)cc(c12)cc(cc2)CN3CCCC(C3)C(O)N4CCN(CC4)c5ccccc5F -MOL_01_026246,NCc1ccc(cc1)Nc2ncnc(c23)Cc4c(c5c(cc4)cccc5)C3c6ccc(CN)c(c6)CN -MOL_01_026247,CC(C)CC(N=1)=NC(=N)C(C12)=Cc3c2cc(Cl)cc3 -MOL_01_026248,N1=CC(C)C(CC)c(c12)cc3c(c2)nc(N)cc3C(C)(C)C -MOL_01_026249,c1ccccc1CC(C(C)CC(=O)CN)N(C)C(=O)CCc2ccccc2 -MOL_01_026250,CN(N)C1CCn(c12)c(cc2)C(N)c3cccc(F)c3 -MOL_01_026251,Cc1cccnc1NC(=O)c(c2)ccc(c23)CC(C)C(=O)N3 -MOL_01_026252,c1cccc(c12)N(C)CC(C)N(C2)C(O)c3cc(CN)cn3C -MOL_01_026253,Cc(n1)cc(C)c(c12)N(C(=N)CC2)CC(=N)Nc3ccccc3C -MOL_01_026254,Cc1ccc(cc1)-c2ccc(cc2)Cn3ccc(c34)C(=N)CCNC4=N -MOL_01_026255,CCCN(C)CCCc(c(c1)CN)cc(c12)ncc(C(N)O)c2Nc3ccc(C)c(Cl)c3 -MOL_01_026256,c1ccoc1-c2nnc(n2CCOC)CCC(=O)NCc3ccccc3 -MOL_01_026257,C1CCCCN1Cc2ccc(cc2)C(C)Nc3nccc(n3)N4C(=O)CCC4C(C)C -MOL_01_026258,Cc1ncoc1C(=N)N2CCCC(C2)C(=N)c3ccc(c(F)c3)-c4ccccc4 -MOL_01_026259,Cc(c1)ccc(c12)Cc3c(C2)c(nc(n3)-c4ccc(CN)cc4)CCC(N)N5CCCCC5 -MOL_01_026260,CCc1ccc(cn1)NC(N)C(C)(C2)Cc(c23)nccc3-c4ccccc4 -MOL_01_026261,Cc(n1)cc(c12)nnn3c2C=CC(C3)(C)C -MOL_01_026262,c1cccc(c12)c(cc(=O)n2CC)CCC(=O)NCc3cccnc3 -MOL_01_026263,c1cnccc1-c2nnc(n2CCCOC)CCC(O)Nc3cccc(c3)C(O)OC -MOL_01_026264,Cc1cccc(c1)C2CCC(O)N2c(c3)ccc(c34)c(C)cc(n4)O -MOL_01_026265,CC(C)c1cncnc1-c2cc(F)cc(c23)CC(C3)CN -MOL_01_026266,C1COCCN1Cc2ccc(C)c(c2)C(=C)N(C3CC3)Cc4nnc(o4)-c5ccccc5Cl -MOL_01_026267,c1cccc(c12)ccnc2C(=C)N3CCC(CC3)Cc4nccnc4-c5ccnc(C)c5 -MOL_01_026268,Cc1cccc(c1)NC(N)Cn(c2N)cc(c23)nc(C)cc3C -MOL_01_026269,CC(C)CN(N1)C=C2c(cccc3)c3Nc(c4C12)cccc4N -MOL_01_026270,CCc1cc(C(=O)N(C)C)c(C)cc1Nc2ncc(CN)c(n2)NC -MOL_01_026271,c1cccc(n12)c(cc(c2=N)C(C)=N)Cc3ccc(cc3)-c4ccccn4 -MOL_01_026272,Cc1cc(N)nc(c12)cc(cc2)Nc3ccncc3N(C)N -MOL_01_026273,Cc1ccc(c(c1)CN)Cn2ccnc2CCc3c(Cl)c(C)cc(C)c3N(N)CN -MOL_01_026274,C1CCCN1Cc(cc2)cc(c23)c(=N)c(cn3C)C(=N)NCc4ccccc4ON -MOL_01_026275,CC(=N)c1cccc(c1)NC(=N)c2cn(C(C)=N)c(c23)cccc3 -MOL_01_026276,C1CCC(=O)c(c12)c(O)cc(CN)c2CN -MOL_01_026277,N=C1CCC(=N1)N2N=C(c3ccc(F)cc3)CC2c4ccc(N)cc4 -MOL_01_026278,CCc1ccc(cc1F)C(O)CCC(O)c(n2)nc(n23)nccc3C -MOL_01_026279,CN(C)CCOc(c1C(=O)N(C)C)ccc(c12)Cc3c(N2)cccc3 -MOL_01_026280,NOc(c1)c(ON)cc(c12)CCc3c(O2)ncnc3Cc4cccc(N)c4 -MOL_01_026281,c1cccc(c12)c(O)nnc2Cc3ccc(C)c(c3)C(O)N4CCN(CC4)c5ccccn5 -MOL_01_026282,COc1ccc(cc1)C(C2)Cc(c23)c(CN)c(N)c(CN)c3-c4ccc(C)cc4 -MOL_01_026283,Cc(c1)ccc(c12)OC(C)CC2C(=O)c3nccnc3C -MOL_01_026284,Nc1c(C)ccc(c12)C(N)(N)C3=C(C2)CC(N)CC3 -MOL_01_026285,CNc1ccc(F)c(NC)c1C2CC(N)C(=N)N2Cc3ccc(NC(F)(F)F)cc3 -MOL_01_026286,CC(C)CC(N(O)CN)NC(O)c(n1)cc(c(c12)cccc2)C34CC5CC(C3)CC(C5)C4 -MOL_01_026287,CC(C)(C)C(C)NC1=C(C(O)=C1O)Nc2ccnc(n2)Nc(c3)ccc(c34)CCC4 -MOL_01_026288,c1ccccc1C(=O)NC(C(C)CC)C(=O)Nc2ccc(cc2)CNc3cc(C)nc(n3)C -MOL_01_026289,c1cc(Cl)cc(c12)CC(C)(C(F)F)CC2NC(=N)Nc(c3)ccc(c34)CCC(N4)=N -MOL_01_026290,Cc(n1)cc(C)n(c12)c(nn2)CCC(=O)N(CCCN)c(c3)ccc(c34)OCCO4 -MOL_01_026291,CCOc1ccccc1C(=O)CC(C(C)C)C(=O)OCn(c2=O)cnc(c23)cccc3 -MOL_01_026292,NCCCC(=O)CC1C(C(=O)CCCN)=C(N)Cc(c12)ccc(c2)-c3ccc(N)cc3 -MOL_01_026293,CC(C)n1nc(O)c(c12)C(CC(N2)O)C3CCCCC3 -MOL_01_026294,Cc(c1)ccc(c12)cc(O)c(c2)C(O)Cc3c(C(C)O)cnn3-c4ccc(Cl)cc4 -MOL_01_026295,Cc1ccc(o1)-c(c2)cnc(c23)onc3-c4ccc(C(C)N)cc4 -MOL_01_026296,CCNC(N)c1c(C)cc(n12)nc(cc2N)CNc3ccc(F)cc3 -MOL_01_026297,Cc1cc(C)c(cc1C)CC(N)CC(O)N(C2)CCn(c23)c(nn3)C(C)(C)C -MOL_01_026298,C1CC1NCC(O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(O)CNC5CC5 -MOL_01_026299,NC(C1)Cc(n12)nnc2-c(c3)c(C)cc(c34)cccc4 -MOL_01_026300,CCn(c1O)cnc(c12)ccc3c2cc(n3)C4=NCCN4 -MOL_01_026301,CCc1cc(F)ccc1Cc(nc(c23)cccc3)c(n2)C(=O)Nc4ccncc4 -MOL_01_026302,CCc1ccccc1CNC(=O)CCC(=O)c2c(C)nn(c2Cl)-c3ccccc3 -MOL_01_026303,C1CCC(N)=NC1(C)c2cc(ccc2Cl)NC(O)c3ccc(cn3)CN -MOL_01_026304,C1CCCCC1C(N)Cn(cn2)c(N)c(c23)cc(c3)-c4ccccc4 -MOL_01_026305,CC(C12)C(CC1)CC(C2)CC(=N)c3cc(=N)n(CCCN)c(c34)cccc4 -MOL_01_026306,Cn1nccc1-c2cc(Cl)ccc2Oc3ccc(cc3CN)CNc4ncc(cn4)C(C)(C)C -MOL_01_026307,Cc1ccc(cc1)CC(C(O)O)NC(=O)CC(c2cccc(C)c2)NC(=O)c3ccccc3 -MOL_01_026308,c1ccccc1C(=O)NC(C(C)C)C(=O)CCC(=O)N(C2)CCc(c23)cccc3 -MOL_01_026309,c1cnccc1-c2n(CC3CC3)cc(N)c2-c4ccc(F)cc4 -MOL_01_026310,Cc1nccn1-c2ccc(cc2)C(N3CCCN(CC3)C4CCC4)c5nccn5Cc6ccccc6 -MOL_01_026311,n1ccnc(c12)c(C)c3c(c2C)C(=O)N(C3=O)Cc(c4)ccc(c45)CCC5 -MOL_01_026312,C=1C=Cc(c12)nc(=C)n(c2=O)CCCC(=O)Nc3ccc(C)c(C)c3 -MOL_01_026313,Cc(n1)ccc(c12)c(ccc2)CCCCN3CC(C3)Cc(c4)ccc(c45)CCC(N5)N -MOL_01_026314,Cc1ccccc1-c(c2C(N)NC)c(C(N)NC)c(C)c(c23)Cc4c(N3)cccc4 -MOL_01_026315,c1ccccc1C(C)Nc2nccc(n2)N(C(=O)C3)C(C(C)C)C3(C)C -MOL_01_026316,CN1CCC(CC1)NC(=O)c2ccc(c(c2)CN)Nc3ncc(C(C)(C)C)c(n3)CCC4CCCC4 -MOL_01_026317,c1ccccc1CCC(O)N2CCN(CC2)C(O)c3ccc(N(C4)CC4(F)F)c(n3)CCC5CC5 -MOL_01_026318,C1CCCC1NCC(=O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(=O)CNC5CCCC5 -MOL_01_026319,CCCOc1ccc(CN2CCN(C)CC2)cc1-c3nc(C)c(CC)c(n3)N -MOL_01_026320,CCc1ccc(n1C)-c(c2)ccc(c23)CC(=O)CC3(N)N -MOL_01_026321,NCc1ncnc(c1)N2CCC(C)C2Cc3ccncc3 -MOL_01_026322,NCC(=N)c(c1)c(Cl)nc(c12)cccc2NC(=N)CC34CC5CC(C3)CC(C5)C4 -MOL_01_026323,Cc1cccc(c1C)N2CCN(CC2)Cc3c(c(C)n(C)c3C)C(N)N4CCCCC4 -MOL_01_026324,COc1ccc(cc1C)C(O)C2CCN(CC2)CC(O)NCc(n3)nc(O)c(c34)COCC4 -MOL_01_026325,CCNc(c1)ccc(c12)Cc3c(NC2)c(ncn3)Nc4ccc(F)c(Cl)c4 -MOL_01_026326,c1cncc(c12)cccc2CNCC(=O)N3CCN(CC3)c4cccc(F)c4F -MOL_01_026327,NCc(cc1)cc(CC2)c1N(N)C23CCCCN3CCCc4ccccc4 -MOL_01_026328,CCc1cc(ncn1)N(C2)CC(CCC3)C23CCCc4ccccn4 -MOL_01_026329,Clc(c1)ccc(c12)C(CN)C(N)N2Cc3ccc(Cl)cc3 -MOL_01_026330,CCc1ccc(cc1)-n2cnc(N)c2-c3ccc(F)cc3 -MOL_01_026331,Cc1cc(on1)-c2ccc(ON)c(c2)CN3CCc(c34)cccc4 -MOL_01_026332,NCc1cc(ccc1)C2C=CCC(=N)N2CCCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_026333,CC(=N)c1cccc(c1)NC(=N)C(=N)C(C(=N)c2ccccc2F)C3CC(=N)c(c34)cccc4 -MOL_01_026334,C1CCC1CN(CC2)C(=N)c(c23)ccc(n3)NCc4cccc(F)c4 -MOL_01_026335,c1cccc(c12)CCN(C2)CC(C)CCc3cccc(c3)N(C)C(N)c4cncn4C -MOL_01_026336,N=C1CCCc(c12)cccc2NC(=N)C3CCC(CC3)N(C4=N)C(=N)C5C(CC6)CC6C45 -MOL_01_026337,NCc1ccc(cc1)Cn2cc(c(c23)nccc3)C(=O)CCC4CC4 -MOL_01_026338,C1CCC(N)=NC1(C)c2cc(ccc2C)NC(O)c3ccc(cn3)CN -MOL_01_026339,Cc1nc(cc(n1)C)Cc2nnc(n2-c3cc(C)ccc3)CCC(=O)Nc4cccc(c4)C(C)(C)C -MOL_01_026340,Clc1ccc(cc1)C(CC(=O)C2)C2(Cn3cncn3)c4ccc(Cl)cc4Cl -MOL_01_026341,CC(C)OC(=O)Cn1c(-c2ccccc2)c(ccc1=O)-c3ccccc3 -MOL_01_026342,n1ccn(c12)c3c(cc2CC)cc(cc3)C(N)C4CCC(ON)CC4 -MOL_01_026343,Clc1ccccc1Cn2nc(C)c(c2Cl)C(=O)CC(C(C)C)C(=O)NC(=O)N -MOL_01_026344,Cc1cc(C)cc(c1)C(=N)Nc(n(n2)C(C)(C)C)c(c23)CCC3 -MOL_01_026345,CCc1ccc(cc1)C2C(C(=O)N)=C(O)C(=O)C2CCCn3ccnc3 -MOL_01_026346,c1cccc(C2=N)c1CCCC23N=NCC3c4cccc(c45)cccc5 -MOL_01_026347,O=C(N)C(C1)CCC(C1=2)c3c(C2)nc(nc3C)-c4ccc(CN)cc4 -MOL_01_026348,C1=CC=C(C1=2)N=C(N2)C(O)Cc3nccc(c3Cl)OCc4ccccc4 -MOL_01_026349,CCCc1ncccc1C(N)N2CCN(CC2)c3ccc(nn3)-c4ccc(Cl)cc4 -MOL_01_026350,c1nccc(C(=O)C2)c1C23CCC(CC3)C(=O)Nc4cnn(c4)-c5ccccc5 -MOL_01_026351,Clc1ccc(cc1)C(C2)C(n3cncn3)C(=O)c(c24)cccc4 -MOL_01_026352,Cc1ccccc1-c2cnn(C)c2NC(=O)CC(C)c3ccccc3Cl -MOL_01_026353,c1c(Cl)cnc(OC(C)C2)c1C23CC(=O)CC3=O -MOL_01_026354,CCCC(N)c1c(C)c(CN)c(n12)c3c(cc2)cccc3 -MOL_01_026355,CCN(CC)Cc1c(C)ccc(c12)cc(c(c2)N)-c(n3C)nc(c34)cccc4 -MOL_01_026356,C1CCCc(c12)nc(NC(C)N)c3c2c4c(cc3N)cccc4 -MOL_01_026357,CNc1ccc(cc1NC)-c(cc(c23)cc(C)cc3)nc2-c4cccc(N)c4 -MOL_01_026358,c1nccnc1C(N)N(c2ccccc2)C3(CCCCC3)C(N)NC4CCCC4 -MOL_01_026359,c1ccccc1NC2(C(C)=N)C(C(=N)N2C)Cc3ccc(C(F)(F)F)cc3 -MOL_01_026360,Nc1ncc(cc1)CCc2c(ccnc2CC)-c3ccc(F)c(c3)C(O)N(C)CCCON -MOL_01_026361,Clc1ccccc1C(=O)CCC(=O)C2CNc(c23)cccc3 -MOL_01_026362,c1ccccc1-c2nc(nc(O)c2CN)CCC(=O)Nc3ccc(OC(F)(F)Cl)cc3 -MOL_01_026363,Cc1nn(C)c(c1NF)C(O)Nc2ccn(n2)C34CC5CC(C3)CC(C5)C4 -MOL_01_026364,CC(O)Oc(c1C)ccc(c12)cc(c(c2)O)-n3cnc(c3)-c4ccc(N(C)C)cc4 -MOL_01_026365,CCC(=O)c1cccnc1CC(=O)Cc2cccc(c23)C(=O)C4C3CCCC4 -MOL_01_026366,Fc1cc(F)cc(c12)nc(c(N)c2N)-c3ccc(cc3)-n4cccn4 -MOL_01_026367,C1CCCCC1NCC(=O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(=O)CNC5CCCCC5 -MOL_01_026368,c1ccccc1NCn(c(=N)c(c23)cccc3)c(n2)-c4ccccc4F -MOL_01_026369,NCc1ccccc1-c2ccc(cc2)NC(O)CC3CNc(c34)ccc(c4)C(N)N -MOL_01_026370,CCc(c1)ccc(c12)C=3C(=C2)c4c(C3)c(C5NN5)cc(c4N)C(C)N -MOL_01_026371,c1cccc(c12)cc(C)c(c2)C(=O)CCC(=O)c3c(C)n(C)c(=O)n(C)c3=O -MOL_01_026372,Clc1cccc(Cl)c1C2CCC(=O)N2C(=O)Nc3ccncc3 -MOL_01_026373,CCc1ccccc1NC(=O)Cn2c(nc(c23)ccnc3)CCc4ccc(F)cc4 -MOL_01_026374,FC(F)(F)C(C1)C(C(=O)C)=Cc(c12)cc(Cl)cc2-c3ccc(N)c(F)c3 -MOL_01_026375,CCc1c(C)nc(nc1C)N2C(=O)CCC2c3c(Cl)cccc3Cl -MOL_01_026376,O=C(C=1)C=Cc(c12)cc=3c(C=CC3)c2CCc4nncn4-c5ccccc5 -MOL_01_026377,c1ccccc1C(=O)C(N(C)Cc(c23)cccc3)=C2NC(=O)c4ccc(F)cc4 -MOL_01_026378,C1CCc(c12)nn(C(C)(C)C)c2NC(N)CCc(c3)ccc(c34)cccc4 -MOL_01_026379,c1ccccc1C(=O)NCC(=O)CCC(=O)c(c2)ccc(c23)cccc3 -MOL_01_026380,Cc1cccc(c1C)N2CCN(CC2)C(=O)CCCCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_026381,CCCC(O)c(c1C)cnc(n12)nc(n2)CCc3ccccc3 -MOL_01_026382,CCCc1c(CN)cc(N)cc1CNCCCNc(n2)cc(C)c(c23)cccc3 -MOL_01_026383,FC(F)CN1C=CC(=CC1=C)c2cnc(C)nc2CCC3CC3c4ccc(C)cn4 -MOL_01_026384,Cc1cc(C)nc(c1)N(C2N)C(N)Cc(c23)cccc3 -MOL_01_026385,Clc1ccccc1C(C)CC(N)Nc2c(cnn2C)-c3ccccc3F -MOL_01_026386,CCCC(=O)Cc1ccccc1NC(=O)C(C=2C)=CC(C23)=NC=NC3=O -MOL_01_026387,C1COC(N)=NC1(C)c2cc(ccc2C)NC(O)c3ccc(cn3)CN -MOL_01_026388,c1ccccc1C(CC)C(=N)Nc(c2)ccc(c23)ccn3Cc4ccc(C(=N)N)cc4NN -MOL_01_026389,CCCCc1ncn(c12)CCN(C2)C(O)Nc3ccc(CC)cc3 -MOL_01_026390,c1ccccc1CN(CC2)Cc(c23)c(nc(O)c3CN)CCc4ccccc4Cl -MOL_01_026391,Cc1occc1-c2nnc(n2CC(C)C)CCC(=O)N3CCOCC3 -MOL_01_026392,CCc1ccc(cc1)CNC(C(N)CC2)c(c23)cc(cc3)NC(=N)CNCCc4ccccc4 -MOL_01_026393,C1CCCCC1n2c(nnc2C(CC)N(C)C)CCC(O)Nc3cc(Cl)ccc3CN -MOL_01_026394,NCc1c(C)ncc(c12)CCN2Cc3ccccc3 -MOL_01_026395,CC(C)Cc1ccc(cc1)C2C(CN)=C(N)Cc(c23)c4c(cc3N)cccc4 -MOL_01_026396,C1CCC(C12)N=C(C2)Nc3cc(ccc3C)C(=O)N4CCN(CC4)c5ccccc5F -MOL_01_026397,c1cc(F)cc(c12)cc(n2CNC)-c3cccc(c34)cc(cc4)CNc5ccncn5 -MOL_01_026398,OCC1=C=C(C(F)=C1)n2cnc(c23)c(O)ncn3 -MOL_01_026399,c1cccc(c1=2)=C3C(N2)=CC(=NC3=O)C4CCCCC4 -MOL_01_026400,CCCN1CCN(CC1)C(N)c2ccc(cc2OC)-c3ccnc(CC)c3CCc4ccc(N)nc4 -MOL_01_026401,NCc1c(F)ccc(F)c1C2CC(Cl)C(=N)N2Cc3ccc(CC(F)(F)F)cc3 -MOL_01_026402,c1ccccc1C(C)(C(=N)NCC=C)N(CC(C)(C)C)C(=N)c2cccnc2 -MOL_01_026403,Nc1ncc(cc1)CCc2c(ccnc2CC)-c3ccc(c(F)c3)C(N)N4CCN(C(C)C)C(C)C4 -MOL_01_026404,NC(=O)CCCCCCC(=O)Nc1cccc(c1)-c2cn(cn2)-c3ccccc3 -MOL_01_026405,CCc1ccccc1CC2(C(=O)C)CCN(CC2)c3nccnc3CC -MOL_01_026406,Cn1cccc1Cc2nnc(n2CCc3ccccc3)CCC(N)NCc(c4)ccc(c45)OCO5 -MOL_01_026407,CC(C)C(=O)Nc1cccc(c1)Cc2cc(F)cc(c2C(=O)N)Nc3ccc(N)cc3F -MOL_01_026408,CN(C1)CCc(c12)c(ccc2)NC(=N)c3cc(Cl)c(cc3CN)-c4ccccc4 -MOL_01_026409,C1CCCCC1C2=C(N=C(C2=3)C=C(C3)C(=O)O)c4ccccc4 -MOL_01_026410,c1cccc(c12)c3c(o2)c(nc(n3)C)CCC(=O)Nc4cccc(F)c4 -MOL_01_026411,NC1(N)C(C)CC(N)Cc(c12)ccc(c2)-c3ccc(F)c(Cl)c3 -MOL_01_026412,Nc1ccc(cc1)-c2ccc(cc2)NC(C3=O)=NC(=O)c(c34)ncnc4 -MOL_01_026413,Cc1ccc(cc1)C(C)NC(=NC2=O)CC2(C)c3ccc(cc3)C(=O)N4CCOCC4 -MOL_01_026414,CN(C)Cc1cc(cnc1N)-c(c2)ccc(c23)nccc3-c4cccc(c4)CN -MOL_01_026415,CCc1cc(N(C)C)cc(c12)nc(cc2O)NC(C)C -MOL_01_026416,CCc1ccc(cc1CC)-c2nnc(n2C)CCC(O)N3CCCCC3 -MOL_01_026417,COc1ccc(cc1OC)C(N2O)=C(C)N(O)C(=C23)CCC3 -MOL_01_026418,[nH]1[nH][nH][nH]c2c1n(c(c23)ccc(N)c3)CNCCc4ccccc4 -MOL_01_026419,CN(C)c1ccccc1CC(O)c2nccn2-c3nccc(c34)cccc4 -MOL_01_026420,CCCc1ccc(cc1CCC)NC(=O)CN(C)C(=O)CCc(n2)nc(C)c(c23)cccc3 -MOL_01_026421,CCOC(=N)C1=C(O)C(=N)N(C1)C2c(cccc3)c3c(c24)cccc4 -MOL_01_026422,Clc1ccc(cc1)C(C2)Cc(c23)c(c(CN)c(N)c3CN)-c4ccc(F)cc4 -MOL_01_026423,c1cc(N)nc(c12)nc(cc2C)-c3ccc(Cl)cc3 -MOL_01_026424,NCc1cc(F)ccc1Nc2ncc(F)c(n2)Cc3cccc(c34)CCC4=O -MOL_01_026425,c1ccccc1N(C(=N)CC)C2(COC)CCN(CC2)CCN(C3=N)C(=N)c(c34)cccc4 -MOL_01_026426,Cc1nc(N)nc(c12)nc(cn2)-c3ccccc3 -MOL_01_026427,Cc(n1)cc(C)c(c12)c(N)n(c2)CN3CCN(CC3)C4CCCCC4 -MOL_01_026428,COCc1cc(C)nc(c1CN)CCC(=N)Nc2cccc(c23)cccn3 -MOL_01_026429,CC(=N)CCc1c(C)c(c(C)n1C)C(=N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_026430,CCCc(c1)ccc(c12)ccc3c(c2=N)cc(cn3)-c4cccnc4 -MOL_01_026431,C1CCCCCC1NC(=N)CCn2c(cc(C(=N)N)c2N)-c3ccccc3 -MOL_01_026432,c1cccc(c12)C(O)c3c(C2O)n(nn3)Cc4ccccn4 -MOL_01_026433,NOCCn1c(C)c(cc1C)-c2ccc(nn2)Nc3ccc(F)cc3 -MOL_01_026434,CNc(c1)ccc(c12)c3c(CCC2NC(C)=N)cc(NC)c(NC)c3NC -MOL_01_026435,c1cccc(c12)nc(c(N)c2N)-c3ccc(nc3)-c4ccc(F)cc4F -MOL_01_026436,COc1ccc(cc1)C2C=C(C(=O)OC)C(C(=C2N)CN)c3ccc(OC)cc3 -MOL_01_026437,c1cccc(c12)ncc(c2)C(C)c3cc(CN)c(CN)c(c3)CN -MOL_01_026438,Cn1cnc(c1)CN(C2)CC(C23)C3(CC4CC4)CNC(=O)c5ccc(Cl)c(Cl)c5 -MOL_01_026439,CCCC(=O)C1CCCCC1NCc(c2C)cc(NC)c(c23)cccn3 -MOL_01_026440,Cc(n1)nn(c12)c(cc(n2)C)CCc(c3)ccc(c34)OCO4 -MOL_01_026441,c1ccccc1-c2c(CN)c(nc(N)c2CN)CCC(N)Nc3ccc(F)cc3 -MOL_01_026442,Cn1cccc1Cc2nnc(n2-c3ccc(cc3)OC)CCC(=O)Nc4cccc(c4)OC -MOL_01_026443,Cc(n1)cn(c12)CCCC2CNCC(CC3)=Nc(c34)cc(Cl)cc4 -MOL_01_026444,Cn1nc(cc1N)NCc(c2)ccc(c23)c4c(N(C3)CN)c(N)ccc4 -MOL_01_026445,C1CCCC1N(CC)C(=O)COC(=O)c2ccc(OC)c(c2)CN3CCCc(c34)cccc4 -MOL_01_026446,Cc(n1)cc(C)c(c12)c(O)nc(n2)-c3ccc(CN)cc3C -MOL_01_026447,Clc1ccc(cc1Cl)C2(NCC(C)CN2)C(=N)CCc3ccccc3 -MOL_01_026448,C1CCc(c12)ccc(c2)NC(O)CC3CCCCN3c4ccnc(n4)-n5ccnc5 -MOL_01_026449,c1cccc(c12)nc(nc2N)CCC(N)NCCc3ccccc3 -MOL_01_026450,FC(F)(F)Cc1cc(ccc1)C(C)Nc2nccc(n2)N3C(=O)CCC3C(C)C -MOL_01_026451,c1cccc(c12)nc(CC)c(C)c2C(=O)CCC(=O)NCc3ccco3 -MOL_01_026452,Fc1cc(F)ccc1C(=N)c2ccc(=N)n(c2N)-c3c(F)cccc3F -MOL_01_026453,c1ccccc1C(CC2=N)N(C)c(c23)cccc3CN -MOL_01_026454,COCc1ccc(cc1)COCC(C=C2)=C(C2=3)C(=O)N=C(N3)C(=O)NCc4cccc(c4)OC -MOL_01_026455,Fc1cc(ccc1)CCc2n(C)c(nn2)-c3cnccn3 -MOL_01_026456,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3nc(C)ccc3F -MOL_01_026457,c1ccnc(c12)cc(CN)c(c2)NC(O)c3cnn(c34)cccn4 -MOL_01_026458,NCc1ccccc1CN2CCC(CC2)CCN3C(N)c(c4C35CC5)cc6c(c4)CCC6 -MOL_01_026459,C1CCCCC1N(C)C(=O)CCCCc(c2)ccc(c23)NC(=O)CC3 -MOL_01_026460,Cc1ccnc(c12)CCC2NC(N)Cc3cccc(C(F)(F)F)c3Cl -MOL_01_026461,c1ccccc1C2(C)CC(=N)N(C2=N)CN3CCN(CC3)c4cccc(C(F)(F)F)c4 -MOL_01_026462,Cc1ccccc1CC2CCN(CC2)C(=O)C3CNC(=O)N3 -MOL_01_026463,c1ccccc1CCN(C)C(c2ccnc(c23)cccc3)C(N)Nc(c4)ccc(c45)CNNC5 -MOL_01_026464,c1cccc(c12)C(=C)N(C=C2C(=C)NC(N)N)c3cccc(c3)CN -MOL_01_026465,Cc1ccc(c(Cl)c1)CC(=O)Cn2c(C(N)O)nc(c23)cccc3 -MOL_01_026466,c1ccccc1N(C)C(N)C(C2)Cc(c23)nccc3-c4ccc(Cl)cc4 -MOL_01_026467,O=C1C=CC(C)=C(C1=2)c3c(C2C)cc(CN)c(c3)CN -MOL_01_026468,CCCCc1nnc(nn1)C2CN(CCC3)C3c(c24)nnnn4 -MOL_01_026469,CN(C)CCNc(c(C(N)O)c1O)nc(n12)cc3c2cccc3 -MOL_01_026470,CC(C)CN1CCC(CC1)C(O)c2ccc(nc2)CNC(=O)c(c3)ccc(n34)ncc4 -MOL_01_026471,C1CC1C(=O)Cc(nc2)cc(c23)ccc(c3)-c4cccnc4 -MOL_01_026472,Cn1c(=O)n(C)c(=O)c(c1C)C(=O)COC(=O)c2ccc(cc2)OC(C)C -MOL_01_026473,N=c1ccn(c(CN)c1CN)CCCCCCNc2ccnc(c23)cc(Cl)cc3 -MOL_01_026474,CNc1ccc(cc1)C(C2)CCc(c23)c(CN)c(N)nc3C -MOL_01_026475,COc1cccc(c1)OCc2nnc(n23)CC(CC(N)O)C(=C3)c4ccccc4 -MOL_01_026476,C1NONCC1C(=N)CCc(c2=N)cn(c(c23)cc(Cl)cc3)-c4ccccc4 -MOL_01_026477,NOc1cc(ON)nc(n1)N2C(=O)CCC2c3c(F)cccc3F -MOL_01_026478,CCc1ccccc1-c2c(CN)c(nc(C)c2C(N)N)CCC(N)N3CCCC3 -MOL_01_026479,c1ccccc1-c2ccc(c23)nc(cn3N)-c4ccccc4F -MOL_01_026480,C1CCCc(c12)n(CCN(C)C)c(=O)nc2CCC(=O)NCc3ccccc3 -MOL_01_026481,Clc1ccccc1Cn2ncc(c23)c(ncn3)CCc4ccccc4 -MOL_01_026482,Cc1cccc(c1)NCc2cccnc2NC(=O)NCc3ccccc3 -MOL_01_026483,CCc1cc(C(C)C)c(cc1N)Cc2cnc(N)nc2NC(=O)C3CCN(C(=O)C)CC3 -MOL_01_026484,C1CC1NC(=C)N(C23)C(CC2)CC(=C3C(=C)CN)c4ccccc4 -MOL_01_026485,NCc1cccc(c1)NC(=O)CCNCc(c2)ccc(c23)nc(o3)O -MOL_01_026486,CC(=O)CCNC(=O)CC(C(=O)C=1)=C(C)c(c12)cc=3c(c2)C=C(C)C3C -MOL_01_026487,c1ccccc1Cn2cc(CNC)cc2-c3cccnc3CN -MOL_01_026488,Fc1ccc(cc1)CNC(=O)c(c(Cl)c2)cc(c23)CN=C4N3CCCCC4 -MOL_01_026489,c1cnccc1-c2nnc(n2CC)CCc(n3)nc(O)c(c34)cccc4 -MOL_01_026490,COC(=N)c1cccc(c1C)C2CCCN2C(=N)c3cc(Cl)c(O)cc3O -MOL_01_026491,CCc(c1)c(CC)cc(c12)nccc2Cc3ccc(nc3)CC(=O)C -MOL_01_026492,Clc(c1)ccc(c12)NC(=O)C=NC2(CN)c3ccccc3 -MOL_01_026493,Cc1ccc(cc1)C(C)(N(C(=O)C)CCCC)NC(=O)N(C(=O)C)c2ccc(Cl)cc2 -MOL_01_026494,CC(=N)N1CCOc(c12)cc(c(Cl)c2)CN3CCN(CC3)c4ccccc4 -MOL_01_026495,c1ccccc1-c(c2)ccc(c23)C(=N)N(CC3)CCCCN4CCN(CC4)c5ccccc5CN -MOL_01_026496,CCC1CCC(CC1)c2c(Cc3ccc(CN)cc3)cnc(c24)cc(CN)c(c4)CN -MOL_01_026497,c1cccc(c12)OCC(O)N2Cc3cn(cn3)-c4ccc(Cl)cc4 -MOL_01_026498,CC(=O)c1cccc(c1)CC(C)(C)NCC(C)c2ccc(C)c(c23)NC(=O)CC3 -MOL_01_026499,C1CCCc(c12)ccc(c2)C(C)NC(O)n(c3O)cc(c34)nccc4 -MOL_01_026500,CCCC(=O)C(N1)C(C(=O)CCC)=C(C)c(c12)cccc2 -MOL_01_026501,c1cccnc1CNC(N)CCc2ccc(cc2Cl)CN3CCc(c34)cccc4 -MOL_01_026502,NCc1cc(c(CN)cc1Cl)C(N)NCCN2CCC(CC2)C(N)c3ccc(F)cc3 -MOL_01_026503,CC(C)(C)c(c1)ccc(c12)nc(n2CC)C(C)NCc3cn(C)c(n3)C -MOL_01_026504,COc1cccc(c12)c(O)c3c(n2)c(cc(F)c3)C(O)Nc4cccnc4 -MOL_01_026505,Clc1cc(ccc1)-c2c(CN)c(OCC)nc(n2)CCc3ccccc3 -MOL_01_026506,CN1C(=O)CCC(C1CC)c2ccc(cc2)NC(=O)c3cccnc3 -MOL_01_026507,Cc1cccc(n1)CCN(C(=N)c(c23)cccc3)C2C(=N)NCc4ccc(CC(F)(F)F)cc4 -MOL_01_026508,NCCCn1c(C)c(cc1C)C2=NN=C(CC2)Nc3ccc(F)cc3 -MOL_01_026509,Nc1cc(ccc1)CN(C2=N)CCC23CCN(C3)c4ccccn4 -MOL_01_026510,CCN1C(=O)C(C)=C(C(=O)N)C1c2ccccc2F -MOL_01_026511,Cn1cccc1Cc2nnc(n2-c3ccc(cc3)OC)CCC(=O)Nc4cccc(c4)NC(=O)C -MOL_01_026512,c1ccccc1-c2c(CC)c(NNN)nc(c23)ccc(c3)CCC(C)N -MOL_01_026513,Cc(n1)cc(C)c(c12)c(O)n(c2)CN3CCN(CC3)c4ccccc4 -MOL_01_026514,c1cc(F)c(Cl)c(c12)CC(C)(C)CC2NC(=O)NCc3ccc(N)c(F)c3 -MOL_01_026515,C=c1[nH]c(=O)c(c(=O)[nH]1)=Cc2cn(-c3ccc(Cl)cc3)nc2-c4ccc(cc4)OCCCC -MOL_01_026516,CCOC(=O)N1CCC(CC1)NC(=O)c(c2)ccc(c23)Cc4c(C(=N3)CC)cc(C)cc4 -MOL_01_026517,FNc1ccc(F)cc1Cc2nc(nc(c23)cccc3)-c4cccnc4 -MOL_01_026518,NCc(cc1)cc(c12)C(CC(N2)(C)C)Nc3ccnc(N)c3 -MOL_01_026519,CN1CCC(CC1)NC(=N)c2cccn(c23)c(=N)c4c(n3)cc5c(c4)cccc5 -MOL_01_026520,C1NCc(c2)c1cc(c2C34CC3)C(N)N4CCC5CCN(CC5)Cc6ccccc6C(F)(F)F -MOL_01_026521,Cc1ccc(cc1)-c2nc(c(o2)C)CC(O)CC(=O)N3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_026522,CCCCN(CC)CCCNC(N)c(n1C)cc(c12)c(N)nc3c2cccc3 -MOL_01_026523,CC(C)CC(C(CN)=C(C)C1)c(c12)c(O)cc(c2)C -MOL_01_026524,c1ccccc1C2(CC)NC(=N)N(C2=N)CN3CCN(CC3)C(c4ccccc4)c5ccccc5 -MOL_01_026525,c1ccccc1-c2c(CN)c(C)nc(n2)CCC(N)N(c3ccccc3)c4ccccc4 -MOL_01_026526,Cc1cccc(c12)CCC(N)N2C3CCN(CC3)CC(N)Nc4ccc(Cl)cc4 -MOL_01_026527,CC(O)c1ccnc(c1)-c2cc(ccc2C)NCc3ccnn3C -MOL_01_026528,NCc1ccc(cc1)-n2c(N)cc(c2N)C3=CC=C(CC3)NC4CC4 -MOL_01_026529,Cc1ccccc1-n2cc(nn2)CN(C(N)CC3)c(c34)cccc4 -MOL_01_026530,O=C(C)N1N=C(NC(=O)C)CC1(C)c2ccc(C(=O)C)cc2 -MOL_01_026531,Cc1ccccc1Cc2c(C(C)O)cnc(c23)cc(CN)c(c3)CN -MOL_01_026532,COc1ccc(c(c1)OC)CC(C)CC(=O)CC(=O)CCc2ccccc2 -MOL_01_026533,Cc(c1)cc(C)c(c12)c3c(nc2)C(N)c4c(C3N)cccc4C -MOL_01_026534,Cc1c(C(C)C)c(=N)n(n1C)-c2ccc(cc2)CNC3CCCCC3 -MOL_01_026535,Cc1ccc(cc1C(C)O)Cc2nnc(O)c(c23)CCCN3 -MOL_01_026536,c1ccccc1C2C(C(N)CN)=CN(C(N)=C2CN)c3cccc(c3)CCc4ccccc4 -MOL_01_026537,CCc1ccccc1N(CCCN)C(=O)CCC(=O)c2ccc(cc2)-n3nc(C)cc3C -MOL_01_026538,NC(=O)N(C(N)C1)c(c12)ccc(c2)CC(C)CC(=O)Nc3cccc(N)c3 -MOL_01_026539,NCc1ccc(cc1)C(=N)NCc(c2)ccc(c23)N(CC3)C(=N)c4ccc(F)cc4 -MOL_01_026540,CC(C)n1nccc1-c2ncccc2NOc3cccc(O)c3N=O -MOL_01_026541,C1NONCN1c2c(Cc3cc(F)cc(F)c3)cnc(c24)ccc(c4)ON -MOL_01_026542,c1cc(Cl)cc(c12)CNC(=N)N2C3CCN(CC3)CC(=N)Nc4ccc(cc4)Nc5ccccc5 -MOL_01_026543,Cc1cnccc1-c2cc(F)cc(c2)-n3cnc(n3)-c4ccccn4 -MOL_01_026544,Fc1ccc(F)cc1C(N)CCC2(NCCCN2)c3ccc(Cl)cc3 -MOL_01_026545,c1ncccc1C(c(c23)ccc(C)c2)C(=C(C3)N)C(=N)c4ccccc4 -MOL_01_026546,CC(C)(C)NCc1ccc(cc1)C(C)Nc2nccc(n2)N3C(=O)CCC3C(C)C -MOL_01_026547,CC1CCC(CC1)Cc(n2)cn(c23)CCC(C3)C(O)C4CCOCC4 -MOL_01_026548,Cc1cc(C)nc(n1)C2C(=N)CC=C2c3c(C)cccc3Cl -MOL_01_026549,COc1cc(CN(C)C)cc(c1)Nc(nc(c23)cccc3)c(n2)NCc4cn(C)cn4 -MOL_01_026550,Nc(n1)cc(N)n(c12)nc(c2)C(=O)N(CCC3)CC34CCCC4 -MOL_01_026551,c1ccnc(c12)CCC2C(=O)NC3CCc(c34)cccc4 -MOL_01_026552,NOc1cccc(c12)CC(CO2)C(N)CCc(n3)ncc(c34)CCC4 -MOL_01_026553,COc1ccc(cc1)C(C2CCOCC2)CNC(=O)CNC(=O)c3cccc(F)c3 -MOL_01_026554,c1ccc(c12)nc(n(c2O)CC)NC3CCC(C)CC3 -MOL_01_026555,CCOc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_026556,Cc1ccc(cc1)CC(C(=O)C)NC(=O)Nc2ccccc2 -MOL_01_026557,NCc(c1)c(C)c(C)c(C2=O)c1CC(C23C)CCc4c3cccc4CN -MOL_01_026558,NCC(C1(N)N)C(N)N(C1)c2ccc(cn2)CCc3ccccc3 -MOL_01_026559,c1cccc(c12)nc(N)c(n2)-c3ccccc3NC(N)c4cccnc4 -MOL_01_026560,CNC(=O)C(C(C)(C)C)NC(=O)c1ccc(C2CC2)c(n1)CCC3CCCC3 -MOL_01_026561,CC(C)CN1CCC(CC1)Cc2ccc(nc2)CNC(=O)c(c3)ccc(n34)ncc4 -MOL_01_026562,c1ccccc1-c2ccnc(c23)CC(C3)(C)C(=N)NCc4ccc(F)c(F)c4 -MOL_01_026563,CCc1cccc(c1)NC(=N)c2ccc(cc2)CN(C3=N)C(=N)N=C(C3=4)C=CC4 -MOL_01_026564,C1CCCCN1C(N)CCc2n(-c3ccc(cc3)CC)c(nn2)Cc4cccn4C -MOL_01_026565,c1ccccc1Cc2c(ncnc2N)CCc3ccc(nc3)N4CCOCC4 -MOL_01_026566,Cc1c(O)nnc(c1C)Cc2ccc(F)c(c2)C(O)N3CCN(CC3)C(O)C(C)(C)N(C)C -MOL_01_026567,CN1CNCC1NC(=O)C(CC(C)C)NC(=O)c2cccc(c23)Cc4c(N3)cccc4 -MOL_01_026568,Fc1ccc(cc1)C(CN2)C(=N)c(c23)ncc(c3)NCc4ccccc4 -MOL_01_026569,NCC1CCC(CC1)NCCN2CCCc(c23)cc(C(F)(F)F)cc3 -MOL_01_026570,Cc1cccc(c1)Cc2ncnc(c23)Oc4c(CC3)cc(ON)c(c4)ON -MOL_01_026571,COc(c1)ccc(c12)CC(C2=O)CC3(CC(=O)CC3=O)CCc4ccc(OC)nc4OC -MOL_01_026572,c1cccnc1C(C)Nc2nccc(n2)N3C(=O)CCC3C(C)C -MOL_01_026573,n1cnnn1CC(C)N(C=2O)C=Nc(c23)cc=4c(c3)N=NN(C)C4O -MOL_01_026574,c1cccc(c12)nc(N)n3c2cc(n3)C(N)CCc4ccccc4 -MOL_01_026575,NCc(c1)cnc(C2)c1C(c(c23)cccc3)CCCN4CCCCC4 -MOL_01_026576,NCc1ccc(cc1)CCC(c2cncn2C)c3ccc(CN)c(c3)-c4ccccc4C=O -MOL_01_026577,CCCC(O)c1nn(c(c12)cccc2)C(O)c3cccc(C)c3 -MOL_01_026578,CCc1cccc(c1)NCc(c2)ccc(c23)ncc(c3N)C(N)N4CCCCC4CC -MOL_01_026579,c1ccccc1CN(C)Cc2c(N)ncnc2CCc3ccc(nc3)N4CCOCC4 -MOL_01_026580,NCC(C(=O)N=1)=C(O)C(C12)=C(C=C2)c3ccccc3 -MOL_01_026581,Cc1cc(CN)c(CCC(N)O)nc1-c2ccc(F)cc2 -MOL_01_026582,Clc1cccc(F)c1C(=N)N(C)c2ccc(cc2ON)-c3cc(C(=N)N)ccc3Cl -MOL_01_026583,NC1NCc(c12)ccc(c2)CCCCN3CCN(CC3)c4cccc(c45)CCC5 -MOL_01_026584,Nc1cccc(c12)CCN2C(N)CN3CCN(CC3)Cc4ccc(Cl)cc4 -MOL_01_026585,Cc1ccc(cc1)Cc2cnc(nc2)C(C)Nc3nccc(n3)N4C(=O)CCC4C(C)C -MOL_01_026586,N1CNc(c12)cc3c(c2)N(C(C)C)C(N)NC3c4ccc(cc4)NCc5ccccc5 -MOL_01_026587,CC(C)C(C1)=CC=C(C12)c3c(C2C(=N)N)cccc3 -MOL_01_026588,CNc1cc(NC)c(cc1NC)-c(c2N)cnc(c23)cc(cc3)NCc4ccccc4 -MOL_01_026589,NOc1cc(Cl)ccc1-c2ccc(c(c2)ON)-c3nccc(c34)cc(cc4)CNc5ccncn5 -MOL_01_026590,Cc(c1)ccc(c12)OCC(N)N2CC(N)Nc3ccc(F)c(Cl)c3 -MOL_01_026591,C1CCCC(C12)N(C(=N)N2C)c3ccc(cn3)CCc4ccccc4 -MOL_01_026592,CCC(CC)(C(=O)C)NC(=O)c1ccc(N(C2)CC2(F)F)c(n1)CCC3CC3 -MOL_01_026593,COc1c(OC)cc(cc1OC)C(=N)N2c(cccc3)c3C(O)c(c24)ccc(Cl)c4 -MOL_01_026594,COCCCn1ccc(c12)cc(cc2)-c3cc(cc(n3)N)-c4ccccc4 -MOL_01_026595,Cc1ccc(c12)c(O)n(cn2)CCN3CCNCC3 -MOL_01_026596,CCCCc1nc(CC)c(C(C)N)n1Cc2ccc(cc2)-c3ccccc3C(C)N -MOL_01_026597,COc(c1)ccc(c12)CC(C2=O)CC3(CC(=O)CC3=O)NNc4cccc(N)c4 -MOL_01_026598,CNCN(O)C1=C(C)NC(CN)NC1c2cccc(Cl)c2Cl -MOL_01_026599,Cc1cc(no1)NC(=O)CCc2nnc(n2CCON)-c3ccccc3 -MOL_01_026600,CCCC(=O)CCC1CNc(c12)cccc2CC(=O)N(C)CC -MOL_01_026601,c1cccc(c12)C(C)(C=C(C2=O)C)CC(=O)CN -MOL_01_026602,Cc1ccnc(c1)CC(c2ccccn2)c(c3O)ccc(c34)cccn4 -MOL_01_026603,CNc1ccc(cc1)CCCCNCCNc2ccc(F)c(c23)CCCN3 -MOL_01_026604,C1COCCC1C(O)c(c2)ccc(c23)ncnc3CCc(c4)ccc(c45)OCO5 -MOL_01_026605,C1CC1CNC(N)C(C)(C2)Cc(c23)nccc3-c4cccc(c4)C(N)N -MOL_01_026606,c1ccccc1C(CC(=O)C)CC(=O)CCC(=O)c2c(C)n(C)c(=O)n(C)c2=O -MOL_01_026607,NCCCCc1c(C(=O)CCC)cnc(c12)ccc(Cl)c2 -MOL_01_026608,CCCc(c1)cc(NC)c(c12)NC(C2C)c3ccc(N)c(c3)NC -MOL_01_026609,Nc1ccccc1-c2nnc(nc2O)CCC(=O)Nc3ccccc3OC(F)F -MOL_01_026610,C1CC1NC(=O)C(CN(C)C2)C23CCc4c(C3=O)cc(F)cc4 -MOL_01_026611,CCc1nc(N)c(CN)c(c1CN)-c(c2)ccc(c23)CCC3 -MOL_01_026612,n1cncc(c12)C(O)C(=CC2O)Nc3ccc(CC(F)(F)F)cc3 -MOL_01_026613,NCCCCc1c(C(N)CCC)cnc(c12)ccc(F)c2 -MOL_01_026614,Cc1ccn(c12)ncnc2Cc3ccc(cc3F)NC(=O)CC(=O)Nc4ccc(F)cc4 -MOL_01_026615,Cn1cccc1Cc2nnc(n2-c3ccc(cc3)OC)CCC(=O)Nc4cccc(Cl)c4 -MOL_01_026616,CC(C)CC(NC1)COc(c12)cccc2N3CCCC3CO -MOL_01_026617,NC1CN(CC(C1)C)Cc2cc(C)c(cc2)C(=O)Cn3ncc(cc3=O)CCc4ccccc4 -MOL_01_026618,NCc1cc(cc(c1)CN)NC(=C)C2CCCN(C2)Cc(c3)ccc(c34)N(C(=C)C)CCC4 -MOL_01_026619,Cc1ccc(cc1)CN2CCCc(c23)ccc(c3)C(=O)N(CC4)CCC45OCCO5 -MOL_01_026620,c1cccc(c12)nc(cc2C3=CC(=O)N=N3)-c4ccccc4 -MOL_01_026621,N=C(N)C1CCCN1C(=N)c2cccc(c2)CNc3ccc(cc3)-c4cc(F)c(F)cc4CCCN -MOL_01_026622,CCCCCCCCc1cc(ON)cc(c12)c(ccn2)CN -MOL_01_026623,CC(N)c1ccc(cc1)Nc2c(C(N)CCC)cnc(c23)c4c(cc3)cccc4 -MOL_01_026624,c1cccc(c12)ncc(c2)C(=N)NCCN(CC3)CCC34C(=N)NCC4c5ccc(F)cc5 -MOL_01_026625,CCc1c(N)c(CN)c(C)n(c12)c3c(n2)cccc3 -MOL_01_026626,NCc1cc(ccc1)CNC(=C)CN2C(=C)CCc(c23)ccc(c3)CN4CCC(C)CC4 -MOL_01_026627,Nc1ncnc(c12)CC(C)(C)C(=N2)c3ccc(cc3)C(CC4)CCC4(F)F -MOL_01_026628,CC(=O)NC(C)c1ccc(cc1)CC2CN(C2)c3cc(ncn3)CC4CCC4 -MOL_01_026629,Clc1cc(ccc1)N(CC)C(O)Cc2c(C(C)O)c(C)cn2C -MOL_01_026630,N=C(N)c1ccc(cc1)NC(=N)c2cc(nn2-c3ccc(Cl)cc3)C(=N)NCc4ccccc4 -MOL_01_026631,c1nccc(C(=O)C2)c1C23CCC(CC3)C(=O)Nc4cnn(n4)-c5ccccc5 -MOL_01_026632,n1cccn(c12)ncc2C(=O)Cc3cc(Cl)ccc3C4CCCCC4 -MOL_01_026633,C=c(n1)nc(c12)nc(C)n3c2=C=CCC3 -MOL_01_026634,COc(c1)ccc(c12)nc(C)cc2-n3cnc(c3)CNCc4ccc(F)cc4 -MOL_01_026635,CCCC(O)c1c(C)c(c(C)n1C)C(O)NCc2cccnc2 -MOL_01_026636,O=C1CCCC(=C12)CC(N)=C(CN)C2c(c3)cc(CN)c(c34)CCC4 -MOL_01_026637,CC(=O)c1ccc(cc1)-n2cc(CN)c(c2)-c3cccc(c34)CC(F)(F)C4 -MOL_01_026638,Cc1cccc(c1)C(N=2)=NC(=O)C(C23)=C4C(=C3)CN(C)CC4 -MOL_01_026639,CCCCCCCCC(C)(C)C(N)Nc1c(CN)ccc(c12)C(N)CCC2 -MOL_01_026640,CCOc1ccc(cc1OCC)NC(=O)CN(C)c2ccc(cn2)CN(C(C)C)C(C)C -MOL_01_026641,c1ccccc1CCCNC(=O)c2cnc(n(c2=O)Cc3ccccc3)CCCN4CCOCC4 -MOL_01_026642,Cc1ccc(cc1)CCc2nncn(c23)c4c(c3)oc(c4)C -MOL_01_026643,NOc1ccc(Cl)cc1Cc2n(C)nc(c23)ccc(c3)C(=N)Nc4ccccc4 -MOL_01_026644,Cc1ccc(NO)cc1CN(C)CCc2cnn(c23)ccc(n3)Cl -MOL_01_026645,NCc1cc(N)c(Cl)cc1C(=O)NC2CCN(CC2CN)CCCCc3ccc(F)cc3 -MOL_01_026646,C1CCCC(C)=C1C(=O)Nc2cc(CN)c(cc2Cl)C(=O)NCCCN3CCCC(C)C3 -MOL_01_026647,CCNC(=C)NCC(N1)CCc(c12)c(CN)ccc2 -MOL_01_026648,C1CCCCC1CC(C(=C)N2)C(=C)C23NNc4c(N3)cccc4 -MOL_01_026649,OCC(C1)C1(CO)Cc2cc(F)c(O)cc2O -MOL_01_026650,Nc1cccc(n1)-c2ccc(c(c23)cccc3)CCC(CC45)N(CC4)CC5 -MOL_01_026651,c1cccc(c12)NC(=N)C2CCN3CCN(CC3)c4ccc(N)c(N)c4 -MOL_01_026652,c1cccc(c12)n(cc2NO)CC(O)N3CCCc(c34)cccc4 -MOL_01_026653,CC(=O)Cn1cnc(c12)nc(N)nc2CCc3ccccc3 -MOL_01_026654,Cc(c1)cc(n12)ncc(c2O)-c3ccnc(n3)NC4CCCCC4 -MOL_01_026655,C1CCCN1C(=O)CCc2n(-c3ccc(cc3)OC)c(nn2)Cc4cc(O)nc(n4)O -MOL_01_026656,CCCC(O)c(c1CCC)cnc(c12)c3c(cc2)nccc3 -MOL_01_026657,Cc(c1)ccc(c12)nc(c(C)c2N)CNc3cccc(c3)NCC4CCNCC4 -MOL_01_026658,CC(C)(C)N1CCN(CC1)C(O)c2ccc(cc2C)-c3ccnc(C)c3CCc4ccc(N)nc4C -MOL_01_026659,Fc1ccc(cc1)CCNC(=N)C(=N)Nc(c2)cc(c3c24)CCCN3C(C4)=N -MOL_01_026660,c1cccc(c12)CCC(O)N2Cc3cn(nn3)-c4ccc(Cl)cc4 -MOL_01_026661,c1cccnc1CC(CNC2)C(N)c(c23)cc(cc3)-c4ccc(Cl)c(F)c4 -MOL_01_026662,Clc1ccccc1-c2cc(C)c(nc2)C(=O)NCC(=O)CN -MOL_01_026663,Cc(c1)ccc(c12)N(CC(C2)C)C(O)c3nccnc3N -MOL_01_026664,Clc1cc(Cl)ccc1N(CC)C(=N)c2cnc(CN)cc2C(C)(C)C -MOL_01_026665,NC(N=1)=NC(C12)=C(C(=C)N(C)C=C2)Cc3cc(C)c(CC)c(C)c3 -MOL_01_026666,c1ccccc1C2NC(=N)N(C2)Cc(c3)ccc(c34)N(CC4)C(=N)NCCN5CCCCC5 -MOL_01_026667,Cc1ccccc1CCC(C2)Cc(c23)nc(N)c(c3N)CN -MOL_01_026668,C1C=CCCC1C(=N)N(C2)CC(=N)N(C23)CCCc4c3cccc4 -MOL_01_026669,Clc1cc(ccc1)CC(=N)Cn(c2=N)nc(c(c23)cccc3)-c4ccccc4 -MOL_01_026670,Clc1cc(ccc1)C2=CCN(C2=N)c3ccc(CN)c(c3)CNCN4CCCCC4 -MOL_01_026671,CNc1cccc(c1)CNC(N)Cn2c(nc(c23)cccc3)CCC(N)Nc4ccc(C)cc4 -MOL_01_026672,NCc1cccc(c1)-c2cc(nc(n2)CN)NCCc3cccnc3 -MOL_01_026673,Cc1ccc(cc1)CN2CCC(CC2)C(N)OCC(N)N3CCc(c34)cccc4 -MOL_01_026674,C1CC(C)(C)Cc(c12)cn(C)c2C(N)NCc3cccnc3CCC(F)(F)F -MOL_01_026675,CC(C)(C)C(C)(C)c(c(CN)c1N)nc(c12)ccc(c2)ON -MOL_01_026676,CC(C)CCC(=N)C(N(C1)C(=N)CC(C)(C)C)Cc(c12)ccc(c2)NCN -MOL_01_026677,CCc1ccc(C(N)CC)cc1NC(N)c(n2)cnc(c23)C(C)(C)CC3(C)C -MOL_01_026678,CCCCn1c(C)c(C)cc(c1=N)NC(=N)c2ccccc2F -MOL_01_026679,CC(C)c(c1)ccc(c12)nc3n(c2=N)cc(cc3)C(=N)NCCCCc4ccncc4 -MOL_01_026680,Nc1cc(N)ccc1NC(=N)CCn2c(=N)c(ccc3)n3c(c24)cccc4 -MOL_01_026681,CCCCNC(O)CCCn(c1O)cc(c12)nc(C)cc2C -MOL_01_026682,CCc1ccc(nc1)CCc2cnn(c(=O)c2)CC(=O)c3ccc(cc3C)CN4CCCC4 -MOL_01_026683,CCc1cc(Cl)cc(c1)-c(c(c2)C(N)N)cc(c23)c(C)nc(n3)N -MOL_01_026684,NCc(c1)ccc(c12)nccc2C(O)CN3CCC(CC3)NCc(c4)ccc(c4=5)=CC(N5)=O -MOL_01_026685,n1cccc(c12)c(ccc2C)C(C3=O)C(=O)c4cccc(c4c35)c(NF)cc5 -MOL_01_026686,Oc1c(C)cc(cc1C)C(N=2)=NC(=O)C(C23)=C4C(=C3)CC(C)CC4 -MOL_01_026687,c1cccc(c12)c(cc(=O)n2CC)CCC(=O)Nc3cccc(n3)C -MOL_01_026688,Nc1ccccc1-c(c2)c(C)nc(c23)nc(nc3)C4NN4 -MOL_01_026689,COc1ccccc1C(=O)N(C2=NC(C)CC2)c3ccc(Cl)cc3 -MOL_01_026690,CC(C)(C1)C(C)Cc(c12)c(c(c(c2)N)CN)N3CCCC3 -MOL_01_026691,Cc1cccnc1NC(=O)c(c2C)c(C)nc(c23)cccc3 -MOL_01_026692,CCCCNC(O)Cn1c(nc(c12)ccnc2)/C=C/c3cccc(C)c3 -MOL_01_026693,Fc1ccc(cc1)C(=N)NCCN2C(N)CN(CC2N)c3cccc(c34)CCCC4 -MOL_01_026694,NCc1ccc(CN)cc1N(CC(=C)N2CCCC2)Cc3ccc(CN)c(c3)CN -MOL_01_026695,C1NCc(c12)cc3c(c2)C(C4=C(CC(C3)(C)C)CCC4=N)c5ccccc5CN -MOL_01_026696,CC(=N)NC1NC1c2ccc(c(F)c2F)CNNc(n3)ccc(c34)NNCC4 -MOL_01_026697,CC(N)c1cc(CN)c(Cl)cc1NC2CCCCCCC2 -MOL_01_026698,C=C(C)c1ccc(N)c(c1N)CC(=C)c2nc(ccc2N)-c3cccc(Cl)c3 -MOL_01_026699,CCC(C=1)=Nc(c12)ccc3c2=CC(=N3)NC(=O)c4ccc(OC)c(c4)OC -MOL_01_026700,CC(C)c1cc(no1)C(=N)N2CCCC2c3ccc(NN)cc3 -MOL_01_026701,Cc1ccc(C)c(c1)C(N)CCC(N)c2cc(Cl)nc(c23)cccc3 -MOL_01_026702,c1ccnc(c12)Cc3c(N(C)C2O)ccc(c3)N -MOL_01_026703,CCCC(=N)c(c1C)c(C)cc(c12)cnn(c2=N)-c3ccc(cc3)NC(C)=N -MOL_01_026704,CC(=O)c(c1)ccc(c12)n3c(c(=O)n2C)ccc3O -MOL_01_026705,C1CCCCN1C(N)CCc2nn(c(c23)ccc(F)c3)-c4ccccc4F -MOL_01_026706,CC(=N)c(c1)c(NC)cc(c12)nccc2Nc(c3)ccc(c34)c(C(=N)N)ccc4 -MOL_01_026707,Nc(n1)cc(n12)nc(C)c(c2C)CCC(N)C(C)(C)c3ccccc3 -MOL_01_026708,Cn1c(=O)n(C)c(=O)c(c1C)C(=O)CCC(=O)c(c2)ccc(c23)cccc3 -MOL_01_026709,N=C(N)c1c(N)c(C)nc(c1C(=N)N)Cc2ccccc2 -MOL_01_026710,Cc1cc(CN)cc(C)c1Cc2cc(nc(n23)ncn3)Nc4ccc(CN)cc4 -MOL_01_026711,c1ccccc1C2=CC=C(C2=3)N=NC3N4CCC(C4)COCCN5CCCC5 -MOL_01_026712,Nc1ncc(cc1)CCc2c(ccnc2CC)-c3ccc(c(F)c3)C(N)N4CCN(C(C)(C)C)CC4 -MOL_01_026713,CC(O)C(N)C(=O)NCc1cccc(c1)-c(c2)ccc(c23)C(=O)NC3 -MOL_01_026714,Cc1cnc(Cl)c(c1)C(N)Cc(c2)cnc(c23)cccc3 -MOL_01_026715,C1NCc(c12)cc(C(=O)C)c(c2)NC(=O)C3CC=CCC3C(=O)C -MOL_01_026716,c1ccccc1NC(N)(C(N)(C(F)C2)c(c23)cccc3)Nc4ccccc4 -MOL_01_026717,CCCN1CCN(CC1)C(=O)CCCc(c(Cl)c2)cc(c23)OCC(=O)N3 -MOL_01_026718,CC(=N)NCC(=N)N(CC1)CCC12CCN(c3c(C2)cccc3)Cc4cccc(Cl)c4 -MOL_01_026719,CCc1ccc(cn1)-n(c2C)nc(c23)c4c(nc3)ccc(Cl)c4 -MOL_01_026720,CCc(c(=N)c1)ccc(c12)c3c(CCC2NC(=N)C(F)(F)F)cc(CN)c(CN)c3CN -MOL_01_026721,c1cccc(c12)nc(nc2N)CCC(N)N3CCN(CC3)C(N)C4CC4 -MOL_01_026722,c1cccc(c12)Nc3c(C2)nc(nc3CCC)N4CCOCC4 -MOL_01_026723,NCc1ccc(cc1CN)CCNCCC(Cc(c23)cccc3)CN2Cc4ccc(CN)c(c4)CN -MOL_01_026724,Cc1cccc(n1)CC(N)c2nc(C)n(c2C)-c3ccc(F)cc3 -MOL_01_026725,Cc1ccccc1CN(C(N)C2N)c(c23)cccc3 -MOL_01_026726,c1cccnc1C(=O)Nc2cnn(c2)Cc(c3)ccc(c34)CCCCC4 -MOL_01_026727,NCc(n1)ccc(n2)c1c(c(c23)ccc(Cl)c3)Cc4ccc(N)cc4N -MOL_01_026728,O=C(N1)CCc(c12)ccc(c2)CCCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_026729,Fc1ccc(cc1)C(=N)N(C(N)C2)Cc(n23)cc(n3)CCc4ccccc4 -MOL_01_026730,Cc1nnnc(n1)C2=CC(C)(C)Cc(c23)nc(nn3)C -MOL_01_026731,Fc1ccc(cc1)NC(N)c(cn(c23)cccc3)c2NC(N)C45CC6CC(C4)CC(C6)C5 -MOL_01_026732,Cc(n1)ccc(c12)c(Cl)cc(Cl)c2CCC(N)CCC(N)Nc3ccc(CN)cc3 -MOL_01_026733,O=C1NC(=O)C(N)C(=O)C1(CCCCC)Cc2ccc(cc2)Cc3ccc(cc3)-n4ccnc4 -MOL_01_026734,CCNC(=N)Cn1c(=N)oc(c12)cc(cc2)CN(CCN(C)C)Cc3ccccc3 -MOL_01_026735,CCCC(O)c(n1)nc(C)c(c12)cc3c(n2)cc(CC)c(c3)CC(C)O -MOL_01_026736,CC1CCC(CC1)C(=O)CC2C(=O)COc(c23)ccc(c3)CC4CCOCC4 -MOL_01_026737,c1ccccc1CC(C2=N)=CN=C(C2=3)C(=CC3)c4cccc(N)c4 -MOL_01_026738,CCN(CC)CCCC(=O)Nc1ccccc1CNc(c2C(=O)C)ccc(c23)CCCC3 -MOL_01_026739,c1ccccc1CC(C(=N)NC(C(O)O)CC(C)C)NC(=N)c(n2)ccc(c23)cccc3 -MOL_01_026740,NCc1ccc(cc1)-c2cncc(c23)C(CN)CCC3 -MOL_01_026741,Cn1cnc(c12)c(O)cc3c2cc(cc3)CN4CCN(CC4)c5ccccc5F -MOL_01_026742,C1CC(N)Nc(c12)cccc2N(C)CCCCCc3ccccc3 -MOL_01_026743,c1ccccc1C2(N)CC(=N)N(C2=N)CN3CCN(CC3)c4ccccc4F -MOL_01_026744,Clc1ccc(cc1)-c2c(CN)c(=N)n(cc2)Cc3ccccc3N -MOL_01_026745,CCN1CCN(CC1)C(C2N)=C(C(N)c(c23)cccc3)Nc4cccc(Cl)c4 -MOL_01_026746,NCc1ccc(cc1CN)-c([n+]([O-])c2)cc(c23)cc(Cl)cc3Cl -MOL_01_026747,c1cccc(c12)ccc(c2)C(O)c3c(C(C)(C)C)n(nn3)-c4ccc(CN)cc4 -MOL_01_026748,NCCc1nccn1CCn(c2N)cnc(c23)ccc3 -MOL_01_026749,CC(O)c1cccc(c1)CCC(O)N2CCN(CC2)c3ccc(C(F)(F)F)cn3 -MOL_01_026750,C1CCCCN1c(c2)nc(c23)n(cnc3O)Cc4ccccc4 -MOL_01_026751,CC(=O)CCc1c(Cl)cc(cc1CC)C2CC(=O)CC(=C2C(=O)C)c3ccccc3 -MOL_01_026752,C1NONCC1(ON)c2cc(F)cc(c2)ONc(c3)ccc(c34)ncnc4 -MOL_01_026753,Cc1ccc(C)c(c1)NC(O)CN(C(O)CC2)c(c23)cc(Cl)cc3 -MOL_01_026754,c1cnccc1CNC(=N)C(c(c23)cccc3)N(C2=N)Cc4ccccc4-c5ccccc5 -MOL_01_026755,c1cccc(c12)Cc3c(N(CC)C2N)cc(cc3)NC(N)Cc4ccc(CN)cc4 -MOL_01_026756,NOc1cccc(F)c1-c2cc(ncn2)CC(N)C3CCCCC3 -MOL_01_026757,Nc1cccc(c1)CN2CCC(CC2)C(N)c3ccc(F)cc3 -MOL_01_026758,CCCNC(=N)c1nn(c(c12)cccc2)C(=N)c3ccccc3 -MOL_01_026759,Cc1ccc(cc1)C(=O)NC2C(=O)C=CC2c3ccc(Cl)cc3 -MOL_01_026760,c1ccccc1C(=N)N(C(C)C=C2)C2(Cc3ccccc3)C(=N)NCCN4CCNCC4 -MOL_01_026761,C1CCN1C(=O)c2c(C)cc(cc2)Cc3cc(cc(c34)CC(C4)(C)NC)C(=O)Nc5ccc(C)cn5 -MOL_01_026762,CC(C)C(=O)C(C)c1c(CC)nc(n12)c(ccc2)CCc3cccc(c3)CN -MOL_01_026763,NOC(=O)CN1C(=C)N(c2ccccc2)C(=N1)c3ccccc3 -MOL_01_026764,NCc1cccc(c1)-c2cc(cc(c23)cccn3)NCc4ccc(C(F)(F)F)cc4 -MOL_01_026765,N=C(O)c1cc(ccc1)C(=N)NC(C(C)C)C(=N)N(CC2(C)C)CCC2(O)c3ccc(Cl)cc3 -MOL_01_026766,Cc1cc(C)c(c(N)c1)C(N)CCCCCCCC(N)NC2=C(N)N=C(C2=3)C=CC3 -MOL_01_026767,Cc1ccc(Cl)cc1C(C)C(N)c2cnc(c(c23)cccc3)C4CCOCC4 -MOL_01_026768,c1ccccc1CC(C(O)CCC)Nc2nc(N)nc(CC)c2NC -MOL_01_026769,Cn1ncnc1-c2cc(ccn2)Cc3ccc(cc3F)NC(N)Nc4cccc(C(F)(F)F)c4 -MOL_01_026770,Cc(c1)cc(n12)ncc(c2O)-c3ccnc(n3)NC4CCCC4 -MOL_01_026771,CCCCc1c(O)nc(nc1O)CC2CC(=O)N(C2=O)c3ccc(cc3)C(=O)OCC -MOL_01_026772,Clc1cc(C)c(cc1C)CNC2=NCc(n23)nc4c3cccc4 -MOL_01_026773,Cc1ccc(Cl)cc1N2CCN(CC2)C(=N)C3CC(=N)CC3c4ccc(CN)c(c4)CN -MOL_01_026774,CC1=NN=c(c12)c(C)c3c(c2)=C(N=N3)C -MOL_01_026775,CNC(O)C1CCC(CC1)Cn(c2O)c(O)nc(c23)ccc3 -MOL_01_026776,C1COCCC12CC(C(O)c(cn3)ncc3C)Cc4c(O2)ccc(Cl)c4 -MOL_01_026777,Cc1ccc(cc1)CN2C=CNC(=O)C2CC(=O)NC3CCCc(c34)cc(cc4)CNC5CC5 -MOL_01_026778,CCN(CC)CCCNC1=NC(C(C(N)CC)=C(C)N1CC)c2ccccc2 -MOL_01_026779,c1ccccc1C(O)c2c(N)nc(N)nc2COC3CCCCC3 -MOL_01_026780,CCc(c1)c(CC)cc(c12)nc(cc2O)CC(C3O)C(O)c(c34)cccc4 -MOL_01_026781,CCc1ccccc1CN(CC2)c(cccc3)c3CC24CCN(CC4)C(=N)CNC(C)=N -MOL_01_026782,c1cccc(c12)c(CC(C)O)c(c(Cl)c2CC(C)O)N3CCCCC3 -MOL_01_026783,COc1ccc(cc1)-c2nc(nc(N)c2CN)CCCc3ccccc3 -MOL_01_026784,Cn1cnc(c12)CN(CC2CCC)C(O)Cc3ccccn3 -MOL_01_026785,Cc1ccccc1C(=O)NC(C)c2nnc(n2C)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_026786,C1CCCCN1CCCN(C2N)C(c3cc(C)ccc3)c(c24)c(N)c5c(c4)ccc(F)c5 -MOL_01_026787,C1COCCN1C(=O)c2c(C)n(C)c(C)c2CNc3ccc(C(C)C)cc3 -MOL_01_026788,CCC(=O)c1cccnc1N2CCC(C(C)C2)NC3CCCCC3 -MOL_01_026789,Cc1cc(no1)N2C(=O)CCC2c3ccc(CN)cc3 -MOL_01_026790,NCC(=C)c1ccccc1C(CN=N2)C23Cc4c(C3=C)cc5c(c4)CCC5 -MOL_01_026791,FC(F)(F)c1c(C)ccc(c12)ncc(c2)Cc3cnc(CCN)c(c34)cc(CN)c(c4)CN -MOL_01_026792,c1ccncc1NC(N)C(C2)Cc(c23)nccc3-c4cccc(F)c4 -MOL_01_026793,C1CCCC1NC(=O)CCc2n(-c3ccc(cc3)OC)c(nn2)Cc4cc(O)nc(n4)O -MOL_01_026794,CCN1CCN(CC1)C(N)c(c2)ccc(c23)Cc4c(cccc4)C(N)N3Cc5cccc(F)c5 -MOL_01_026795,CNC(NC)NCCn1c(=O)c(cc(CN)c(c2)CN)c2c(c13)cnc4c3cc5c(c4)CNC5 -MOL_01_026796,CCCc(n(n1)CC)c(c12)ccc(c2)C(=O)NCc(c3)ccc(c34)CCC4 -MOL_01_026797,CNc1ccc(cc1)N2Cc(cccc3NC)c3NCc(c24)cc5c(c4)NCN5 -MOL_01_026798,n1cnc(n12)ccc(c2)N(C)C(O)c3ccc(cc3)CCc(n4)ccc(c45)cccc5 -MOL_01_026799,C1COCCC1c2cc(N)nc(n2)CC(N)C3CCc(c34)c(Cl)ccc4 -MOL_01_026800,CCc1cccc(CC)c1N(C2N)C(N)c(c23)c(F)c(F)c(F)c3F -MOL_01_026801,NCc(cc1)ccc1CN(c(c23)cc(CN)c(c2)CN)C=C(C3=C)C(=C)c4ccc(C)cc4 -MOL_01_026802,COc1cc(OC)c(cc1Cl)NC(=O)C2CCN(CC2)Cc3cn(cn3)C(C)C -MOL_01_026803,O=C(N1)CCc(c12)ccc(c2)CCC(C)C(=O)NCc3ccccc3Cl -MOL_01_026804,Cc1ccnc(c1)NC(c2cccc(c2)CN)c(c3C)ccc(c34)ccc(n4)C -MOL_01_026805,CNc1ccc(cc1)C(CC2(C(=N)NC)C(=N)NC)N(C2c3ccccc3)Cc4ccccc4NC -MOL_01_026806,C1C=CCC(C12)C(=C)N(C3CCCC3)N=C2c4ccc(CN)c(c4)CN -MOL_01_026807,CC(=O)c1ccc(cc1C)-n2cc(CN)c(c23)ccc(c3)CCCN -MOL_01_026808,CCCCc(c1)ccc(c12)n3c(cc2CN)nc(c3)C(N)c4ccccc4 -MOL_01_026809,CCCC(O)c(c1O)cnc(n12)cc3c2CCCC3 -MOL_01_026810,NCNc1cc(CC)cc(c1)Cc2cc(F)cc(c2C(=O)N)Nc3ccc(N)cc3F -MOL_01_026811,Cc1ccc(c(C)c1)C2CCC(CC2)C(N)Cc3c(C(C)N)c(C)cn3C -MOL_01_026812,CCc1ccc(cc1)C2NC(C)=NC(=C2CC(C)N)c3ccc(Cl)cc3 -MOL_01_026813,C1=CC=C(C1=2)N=C(N2)C(O)Cc3cc(ccn3)OCC(F)(F)C(F)(F)C(F)(F)C(F)F -MOL_01_026814,Cc1ccc(n12)ncc(c2O)C(O)Nc(c3)ccc(c34)CCCC4 -MOL_01_026815,CCCNc1cc(N)c(CN)c(n1)N2CCC(CC2)Cc3ccccc3 -MOL_01_026816,CCC(=O)CCC(=O)c1ncc(cc1O)-c2cccc(c2)CC -MOL_01_026817,CCc1cc(cc(CC)c1C)-c2nnc(n2C)CCc3cccnc3 -MOL_01_026818,Cc1ccc(n12)nc(cc2N)CCc3ccccc3NC(N)c4ccccc4Cl -MOL_01_026819,Cn1nc(CN)c(c12)NNCC(C2)C(=O)c3ccccc3F -MOL_01_026820,O=C(N1)CCc(c12)c(ccc2C)C(C)CNC(C)(C)Cc3cc(F)cc(F)c3 -MOL_01_026821,COc1ccc(cc1)-c2cc(C(F)(F)F)nc(n2)CCCC(=O)Nc3ccccc3F -MOL_01_026822,c1cccc(c12)nc(n2C(C)OCC)C(O)Cc3ccccn3 -MOL_01_026823,c1ccc(n12)c(ncn2)NC(=NC3)CC34C5CCN(C4)CC5 -MOL_01_026824,c1ccccc1NC(=N)C(N2)CCc(c23)ccc4c3cccc4 -MOL_01_026825,CNc(c1)c(NC)cc(c12)nccc2Nc3ccc(cc3C)NC(=N)N4CCN(C4=N)c5ccccc5 -MOL_01_026826,c1ccccc1CCC(C(=N)CCC)NC(C(=N)N2CC(C)=N)CCc(c23)cccc3 -MOL_01_026827,C=C1NC(C)=C(C(=N)OCC)C(N1)c2cccc(N)c2 -MOL_01_026828,Cc1ccc(cc1)-c2nnc(n2C)CCC(=O)NCCN3C(=O)CCC3=O -MOL_01_026829,Nc1ccccc1Cn2nnc(c23)C(N)c4c(C3N)cccc4 -MOL_01_026830,Nc(c1)ccc(c12)C(N)C(CN2)N(CC3)CCC3(N)c4ccc(C(F)(F)F)cc4 -MOL_01_026831,c1cncn1CC(C(=O)CC(C)C)NC(=O)c2ccc(cc2)-c3cccc(c3)CN -MOL_01_026832,Nc1ccc(cc1)C2(CCNCC2)C(N)CCc3ccc(Cl)c(Cl)c3 -MOL_01_026833,Fc1cc(ccc1)NC(=C)C2CCCN(C2)Cc(c3)ccc(c34)N(C(=C)N)CCC4 -MOL_01_026834,C=1C=CC(C12)=NC(=CC2=O)N3CCCC(C3)C(=O)NCc4ccccc4Cl -MOL_01_026835,CCCN(C1O)C(O)c(c12)cc3c(c4c(cc3)CNC4)c2-c(c5)ccc(c56)CNC6 -MOL_01_026836,NCC(=O)c(c1)ccc(n12)nc(NNC)c2Nc3ccc(C)cc3 -MOL_01_026837,Cc1ccc(F)c(c1Cl)C(=N)N2CC(C(=N)N)C(C2)c3ccccc3 -MOL_01_026838,CCC(=O)C1=CC(C(C)(C)C)(C(C)(C)C)Oc(c12)ccc(c2)CO -MOL_01_026839,CCC(N)c1c(N)nc(n12)c(ccc2)CCc3ccccc3 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-MOL_01_026870,CCCc1cc(C)n(c(=O)c1CN)CC(=O)Cc(c2)ccc(c23)CCC3 -MOL_01_026871,N1CNc(c12)cc3c(c2)C4N(CC)C(C3)c5c(C4)cc6c(c5)NCN6 -MOL_01_026872,c1ccccc1C(CC)NC(N)CCCc(n2)nc(N)c(c23)cccc3 -MOL_01_026873,NCCCC(=O)CC(C(=C(C)C1)C(=O)CCCN)c(c12)cc(cc2)-c3ccncc3 -MOL_01_026874,CC(=O)NC1CCN(CC1)Cc2ccccc2-c3ccc(c(F)c3)-c4cnc(N)c(F)c4 -MOL_01_026875,c1cc(C)cc(C2=N)c1CC23N=NCC3c4cccc(C)c4C(=N)CN -MOL_01_026876,CC(C)CCc1cccc(c1N)C(N2)CC(N)c(c23)c(N)cc(N)c3CCC(C)C -MOL_01_026877,COc1ccc(cc1)-c2nnc(n2C)CCC(=O)Nc3cccnc3Cl -MOL_01_026878,Cc1ccnc(n1)N2C(C)CCC2c3c(CN)cccc3CN -MOL_01_026879,Cc1ccc(cc1C)C(=N)CNC(=N)c2ccccc2N(C3=N)C(=N)C4C(CC5)CC5C34 -MOL_01_026880,NCC(Cl)C1=C(C)N(C)C(C)=C(C(Cl)CN)C1c2ccccn2 -MOL_01_026881,CCCC(O)c1nn(c(c12)cccc2)C(O)c3ccccc3 -MOL_01_026882,CC(C)Nc1ccc(NCC(N)N)cc1-c(ccc2C)c(c23)CN(CC3)C(N)NCc4ccccc4 -MOL_01_026883,NCc1ccc(cc1)C(CC)C(C2=O)Cc3cccn(c3c24)nc4 -MOL_01_026884,Cc1ccc(c(c1)CN)-c2cnc(N)c(n2)C(O)NC3CCCC3 -MOL_01_026885,Fc1ccc(cc1F)C2N(C(=N)CC2C)C(=N)NCCCN3CCC(CC3)c4ccc(F)cc4 -MOL_01_026886,Cc1cnc(N)c(c1)C(N)C2CCN(CC2)C(N)c3ccccc3C -MOL_01_026887,c1cccc(c12)CCCCN2C(=N)c3cc(C)c(cc3)CNC(=N)NCC(=N)N(C)C -MOL_01_026888,c1ccccc1C(NC(=O)C)CC(=O)NCCN2C(=O)C/C(C2=O)=C\c3ccccc3 -MOL_01_026889,Cc1c(O)cc(C(C)O)c(c12)nc3c(c2)cc(cc3)N(C)C -MOL_01_026890,NCc(c1)c(CN)cc(c12)CCN(C(N)C(CC)CC)C2CCc3ccc(F)cc3 -MOL_01_026891,NCc1ccc(cc1CN)-c2nc(C)n(c2)-c3ccccc3 -MOL_01_026892,CCCC(C(=N)N)NCc1ccc(cc1)-c2ccc(Cl)cc2 -MOL_01_026893,c1ncccc1NC2CNCC(C2)c3cccnc3 -MOL_01_026894,CC(=O)C1CCC(CC1)c2nccnc2-c3ccc(CN)cc3 -MOL_01_026895,Oc1nc(N)nc(c12)cc(C)n2Cc3ccc(ON)cc3 -MOL_01_026896,c1ccccc1C(C2CC2)c(c3O)c(=N)oc(c34)cc(cc4)CN -MOL_01_026897,C1CCCC1NCc2c(C)c(NC(=O)C3CC3)cc(c2)C4=NC(=O)C=C4 -MOL_01_026898,c1ccccc1-c2nc(C)c(o2)-c3ccc(OC)c(c3)CNC4CCC(O)CC4 -MOL_01_026899,COc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_026900,Cc(c1)ccc(c12)ncc3c2C(N)c4c(C3N)cccc4 -MOL_01_026901,C1CCCCN1C(N)c(c2)ccc(c23)CCC(N)N3Cc4ccc(F)cc4 -MOL_01_026902,CCNC(=N)c(nc1)cc(c12)c3c(C2)ccc(c3)NCc4ccccc4 -MOL_01_026903,NCc1ccc(cc1CN)CCNCCC(C2)CNc(c23)cccc3 -MOL_01_026904,CCCC(=O)C1=C(C(=O)CCC)C(=O)C1(C(C)C)c2ccc(Cl)cc2 -MOL_01_026905,CCc1ccccc1-c(c2)ccc(c23)ncnc3CCc4cnc(C)cn4 -MOL_01_026906,CCNC(=N)c1c(c(C)n(C)c1C)CN2CCCC(C2)C(=N)Nc3ccc(cc3)NCC -MOL_01_026907,Clc1ccc(cc1)C(CCN(C)C)NC(N)c2ccc(cc2)-c3ccccc3 -MOL_01_026908,C1CCCN1c(nc2CCC)nc(c23)Cc4c(N3)cccc4 -MOL_01_026909,NCC(=C)C1=C(C)NC(C)=C(C(=C)CN)C1c2ccc(c(c2)CN)CCC(=C)N3CCN(C)CC3 -MOL_01_026910,Cn1nc(N)c(c1N)CC(=N)C2CCCc(c23)c(N)ccc3F -MOL_01_026911,N=C(N=1)C=c(c12)c(ccc2N)C(N)CNCCc3cccc(c3)CNCc4ccccc4Cl -MOL_01_026912,C1CCC12c3c(N=C2N)cc(c(c3)CC)CCCCN4CCC(F)C4 -MOL_01_026913,COC(=O)CCN1C(=O)/C(CC1=C)=C/c2cc(OC)ccc2OC -MOL_01_026914,NCNc1c(C)c(ccc1)Oc2cc(F)c(F)c(c2C(N)O)Nc3ccc(N)cc3F -MOL_01_026915,CN1CCCc(c12)c3c(cc2)cc4c(n3)c5c(cc4)NC(O)CC5 -MOL_01_026916,c1ccncc1C(N)C(C)c2ccc(cc2)CNc(n3)ccc(c34)cccc4 -MOL_01_026917,CCc1cc(ncn1)N(CC2)CCC23CCC(O)NC3C -MOL_01_026918,CC1CC=C(CC1)c(c2)ccc(c23)CCCN(C3=O)Cc4ncccn4 -MOL_01_026919,CCc1ccccc1N2CCN(CC2)CCCCC(=O)Nc3ccc(cc3)-c4cccnc4 -MOL_01_026920,Cc1ccc(c(C)c1C(=O)N)OCCn2cnc(c23)cc(NBr)cc3 -MOL_01_026921,CCc1cc(ccn1)C(O)N(CC2)CCC23Nc4c(NC3O)cccc4 -MOL_01_026922,Cc1ccc(c(C)c1)Cn2cc(cn2)NC(=O)c3ccccn3 -MOL_01_026923,c1cc(C)cc(C(=O)NC2)c1CC23CCN(CC3)C(=O)c4cnccn4 -MOL_01_026924,CCC(N)C1=C(C)NC(C)=C(C(N)CC)C1c2ccccc2NC -MOL_01_026925,NCCC(=O)c1ccccc1CC(=O)C2CCCn(c23)nc(c3)N -MOL_01_026926,NOc(cc1)cc(c12)c(cc(n2)C)-n3cnc(c3)CNC(=O)C4CC4 -MOL_01_026927,CCCc1ccc(c(c12)cccc2)C(N)Nc3ccc(OC)nc3C(N)NCC4CCOCC4 -MOL_01_026928,CC1CCN(CC1)Cc2nnc(n23)CCC(=C3)c4cccc(c4)ON -MOL_01_026929,Clc1ccccc1NC(N)c(c2)ccc(c23)CCC(N)N3Cc4ccc(F)cc4 -MOL_01_026930,Cc1ccc(cc1)C(N)CCC(N)c2cc(Cl)nc(c23)cccc3 -MOL_01_026931,NCc(c1)c(CN)cc(c12)ncn(c2=O)Cc3ccc(c(c3)CN)CCc4ccc(Cl)cc4Cl -MOL_01_026932,CN1CCN(CC1)Cc2cc(C)cc(c2)NC(O)c3ccc(C)c(c3)CCc(c4)cnc(n45)ccn5 -MOL_01_026933,CCc1nc(CC)c(c(N)c1CC)C(N)c2ccc(Cl)cc2 -MOL_01_026934,Cc1nn(C)cc1CC2CCCC(C2)n3c(N)cc(c34)ccc(Cl)c4 -MOL_01_026935,CCCc1ccc(cc1)CNC(=O)CCc2cc(=O)n(C)c(c23)cccc3 -MOL_01_026936,c1cccc(c12)C(O)C(O)N2CCN3CCN(CC3)NCc4ccccc4 -MOL_01_026937,Clc(c1)ccc(c12)c(ncn2)CCc(c3)ccc(c34)OCO4 -MOL_01_026938,CCN(C1N)CCc(c12)c(ccc2)CCC(N)Nc3cccc(C)c3C -MOL_01_026939,C1NCc(c12)ccc(c2C(N)N)CN(C(N)C3)c(c34)cccc4 -MOL_01_026940,CCc(c1)ccc(c12)cncc2CC(=O)Nc3ccccc3CN -MOL_01_026941,NCc1ccc(c(n12)ccn2)C(O)Nc3c(Cl)cncc3Cl -MOL_01_026942,CNc1c(C)nn(C)c1C(O)n2nc(C)cc2C -MOL_01_026943,Clc1c(F)ccc(Cl)c1C(C)Cc2cc(cnc2N)-c3cnn(C)c3 -MOL_01_026944,CCc(c1)c(CC)cc(c12)cc3c(n2)nc(nc3C)C(=O)CCCCN -MOL_01_026945,CC(N)c1ccc(c(c1)CN)Cn2ccc(c23)ccc(c3)N(C(C)N)C4CCCC4 -MOL_01_026946,c1ccccc1CCC(=N)c2cc(N)ccc2OCC(N)CN3CCN(CC3)Cc4ccccc4 -MOL_01_026947,Cc(n1)cc(c12)ccn(c2)CNC(C)CN3CCN(CC3)CC(=O)Nc(c4)ccc(c45)CCC5 -MOL_01_026948,c1ccccc1Cn2c(nnc2C(CC)N(C)C)CCC(=N)Nc3ccc(cc3)C(=N)N(C)C -MOL_01_026949,CN1CN=C(N)c(c12)nc3c(n2)CCCCC3 -MOL_01_026950,c1cnc(n12)ccc(c2)C(=O)NCc3ccc(cn3)Cc4cncc(C(F)(F)F)c4 -MOL_01_026951,Cc1nccnc1-c2ccc(cc2F)C(Cc3ccccc3)C(=N)c4ccc(O)cc4O -MOL_01_026952,Clc1cnc(cn1)-n2nc(cc2)C(=N)Nc3ccc(cc3)C4CCCNC4 -MOL_01_026953,c1ccccc1CCN(C)CCNC(=N)c(c2=N)cn(C)c(c23)ccc(c3)CN4CCCC4 -MOL_01_026954,CCCC(=N)c1ccccc1NC(=N)CCC(=N)CC2CCCCC2 -MOL_01_026955,COc1ccc(cc1)NC(=O)Cn2cnc(n2)-c3ccccc3NC(=O)C4CC4 -MOL_01_026956,Clc1ccc(cc1)C(CN)c(c(n2)N)nc(c23)cc(N)cc3 -MOL_01_026957,Cc(n1)ccc(c12)cc(cc2)Cn3cnc(c3)C(O)NCc4c(Cl)cc(N)nc4C -MOL_01_026958,Cc1ccccc1-n2cc(nc2C)-c3ccc(N(C)O)cc3 -MOL_01_026959,NCc(cc1)cc(c12)CCC(=N)N2CCCN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_026960,COc1ccc(c(c1)OC)-n2ccnc2CCC(=N)Nc3cccc(C(F)(F)F)c3 -MOL_01_026961,CCCCn1cc(cn1)Nc2cc(ccn2)-c3ccc(c(c3)NC)CCC4CCN(C(=O)C)CC4 -MOL_01_026962,NCc1ccc(cc1CN)C2CCC(=C)N2c3ccc(cc3)CNc4ccccn4 -MOL_01_026963,NCc(c1)c(CN)cc(c12)cc(nc2C)-c(c3)ccc(c34)cccc4 -MOL_01_026964,c1ccccc1-c2nn(CC(C)=N)c(=N)c(c2)NCCc3ccccn3 -MOL_01_026965,CC(=N)C1=C(Cl)CCC(N12)C(C2=N)NC(=N)CCc3ccccc3 -MOL_01_026966,C1CCCCN1C(N)c2c(c3c(C)c(c24)nccc4)CN(C3N)Cc5ccc(F)cc5 -MOL_01_026967,Cc1ccc(cn1)CCc2c(CN)ncnc2-c3ccnc(N)c3 -MOL_01_026968,CCn1cnc(c12)cc(cc2)C(=N)Nc3cccc(Cl)c3C -MOL_01_026969,Clc1cc(ccn1)CCc2nc(N)n(c2N)-c3ccc(F)cc3F -MOL_01_026970,c1cccc(c12)ncc(c2)N(C)c3cc(CN)c(CN)c(c3)CN -MOL_01_026971,Cn1nnc(c1)-c2ccc(cc2C)N3CC(CC3=O)Cn4ccnn4 -MOL_01_026972,COC(=O)c1ncn(c1C(=O)OC)CC(=O)NC(=O)Nc2c(C)cccc2C -MOL_01_026973,Cc1cccc(c1C)N2CCN(CC2)C(=N)CCCN(C3=N)C(=N)N=C(C3=4)C=CC4 -MOL_01_026974,Cc1ccnc(c12)c(cc(c2)CN)NCCCCC(C)N -MOL_01_026975,c1ccnc(c12)ccc(c2)N(C(N)C3)CC34C5CCN(C4)CC5 -MOL_01_026976,C1NC(C)COc(c12)cccc2N3CCCC3CO -MOL_01_026977,NCc1ccc(cc1)-c2cccc(c23)ccn3Cc4ccc(ON)cc4 -MOL_01_026978,CN(C)CCN(CCN(C)C)c1cccc(c1)C(N)N(C2)CCc(c23)ccc(c3)CCN -MOL_01_026979,O1CCCOc(c12)ccc(c2)C(C)CC(O)CCCn3ccnc3 -MOL_01_026980,c1ccccc1N2C(c3ccc(CN)cc3)C(C2=N)CCCc4cccnc4 -MOL_01_026981,C1CC1C(=O)Nc2cc(ccn2)Nc3c(Cl)cnc(c34)CCC4 -MOL_01_026982,CCC(=N)c1ccccc1C(CN=N2)C23Cc4c(C3=N)c(C)c(C)cc4 -MOL_01_026983,CCCNc1ccc(cc1)CN(C(=N)C2C)C2(C(=N)N)Cc3ccccc3 -MOL_01_026984,COc1cc(N)c(Cl)cc1C(O)OCCC2CCC(CC2)NC(O)c3ccc(C)nc3O -MOL_01_026985,c1cncnc1-c2cc(=O)n(C)c(n2)CCC3(CCCC3)c4ccccc4 -MOL_01_026986,Cc1cc(N(C)C)cc(c12)nc(C(O)CN)cc2C(O)CN -MOL_01_026987,Cc(c1)cc(n12)nc(cc2N)CCC(N)c3cccc(c3)NC(N)c4ccccc4Cl -MOL_01_026988,Cc1ccc(ON)c(c1)CC(c2cccnc2)c(c3O)ccc(c34)cccn4 -MOL_01_026989,Fc1ccc(cc1)C2N(CCN(C)C)C(N)c(c23)cc4c(c3N)cccc4 -MOL_01_026990,Clc1ccccc1NC(=N)Cn(c2=N)nc(c(c23)cccc3)Cc4ccccc4 -MOL_01_026991,O=C1CCCN1c2nc(ncc2C)NC(C)c3cccc(C)c3C -MOL_01_026992,CN(C)c(n1)cn(c12)CC(NC2)CNc3ccc(cc3)-c4ccc(Cl)cc4 -MOL_01_026993,NC(=O)c1c(Cl)cccc1CCCCNC(=O)c2c(Cl)cccc2Cl -MOL_01_026994,Clc1cc(ccc1)C(=N)C2CCN(CC2)Cc3ccc(CN)cc3 -MOL_01_026995,FC(F)(F)c(c1)ccc(c12)CN(C)C=3C(=N2)N(C=CC3)Cc4ccc(CN)cc4 -MOL_01_026996,Fc1ccc(cc1)C(N)C2CCN(CC2)C(N)c3c(F)cccc3F -MOL_01_026997,Cc(c1)ccc(c12)c(C)c(o2)C(O)(O)c3ccc(O)nn3 -MOL_01_026998,CC(C)(C1)C=Cc(c12)c(O)nc3c2cccc3CN -MOL_01_026999,NC(O)c1nnc(n12)c3c(cccc3)c(n2)Cc4ccc(Cl)cc4 -MOL_01_027000,OCCc1c(O)c(CC)c(C)c(c1O)CC2CCOCC2 -MOL_01_027001,Clc1ccccc1C(CC(C)=N)NC(=N)c2cc(ccn2)-c3ccccc3 -MOL_01_027002,CCc1cccc(c1)NC2=C(CN)C(O)NC(C2)c3cccc(CC)c3C -MOL_01_027003,c1ccccc1C(N)c2ccc(n23)C(C(N)N)CCC3 -MOL_01_027004,NOc1ccc(cc1)CC(=O)c2cnn(c23)c(N)cc(n3)N -MOL_01_027005,Cc1ccc(cc1C)C2CC(=C(CN)C(N)N2)CCc3cccc(c3)N4CCCCC4 -MOL_01_027006,C1CC1COCC2CC(Cc(c23)ncn3C)Cc(c4)ccc(c45)OCO5 -MOL_01_027007,Fc1ccc(cc1F)C2CC(=N)NC(C)=C2C(=N)NCCCN3CCC(CC3)c4ccccc4CN -MOL_01_027008,c1cnc(n12)ccc(c2)C(=O)NCc3ccc(cn3)Cc4ccc(C(F)(F)F)nc4 -MOL_01_027009,CC(=O)NCC1CN(CCO1)c(c2C)ccc(c23)c(Cl)ccn3 -MOL_01_027010,c1ccoc1CNC(=N)c2cccn(c23)c(=N)c4c(n3)cc5c(c4)cccc5 -MOL_01_027011,CCCC(O)CC1CCCc(c12)c(cnc2)-c3ccc(CN)cc3 -MOL_01_027012,CCCc1nc(NC)c(Cl)cc1C(=O)NC2CN(C)CCN(C2)CC -MOL_01_027013,C1CC1C(=N)Cc(nc2)cc(c23)ccc(c3)-c4cccnc4N -MOL_01_027014,CCNCc1ccc(CN(N)N)cc1-c2ccc(C)c(c23)CCN(C3)N(N)CNc4ccccc4 -MOL_01_027015,Nc(n1)cc(n12)ncc(c2N)C(N)Cc3ccccc3 -MOL_01_027016,NCc1ccc(cc1)CCNC(=O)c(c2)ccc(c23)N4C(=NC3)CCCCC4 -MOL_01_027017,c1cncn1CN(C(=N)N2)C(=N)C2(c3ccccc3)c4ccccc4 -MOL_01_027018,C1CCCC1c2c(CN)ccc(c23)cnc(n3)Nc4ccccc4 -MOL_01_027019,COc1ccc(c(c1)OC)-n2ccnc2CCC(N)Nc3cccc(C(F)(F)F)c3 -MOL_01_027020,n1ccc(Cl)c(c12)ccc(c2C)N3CCCC(C3)CCC(=O)N -MOL_01_027021,c1ccnc(c12)CCC2NC(N)Cc3c(Cl)cc(Cl)cc3C4CC4 -MOL_01_027022,c1cccc(C(=O)C2)c1CC23CCN(CC3)C(=O)C4CC(=O)N(C4)c5ccccc5 -MOL_01_027023,CC(O)CCc1cc(C(C)O)nc(c12)cc(Cl)cc2Cl -MOL_01_027024,CCCc1nn(C(C)N)c(c12)CC(C)(C)CC2N -MOL_01_027025,CCc1ccc(CC)c(c1)NC(=O)C2CCCN(C2)Cc3ccc(cc3)-n4cnnn4 -MOL_01_027026,Cc(c1)ccc(c12)c(NCC(C)(C)CN)nc3c2c(O)ncc3 -MOL_01_027027,Cc1cc(ON)cc(C)c1C2CNC(N)N2c(c3)ccn(c34)ccn4 -MOL_01_027028,Cc1ccccc1NC(=O)Cc2nnc(n2C)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_027029,CCCc(c1)ccc(c12)n(C)c3c2cc4c(c3N)ccnc4C(=N)NCCN(C)C -MOL_01_027030,CCN1C(=N)CN(C1=N)Cc2ccc(cc2)-c3cccc(n3)CN4CCCCC4 -MOL_01_027031,Clc(c1)ccc(c12)cc(C(C)N)n2Cc3ccc(C(N)(N)N)nc3 -MOL_01_027032,N=c1n(C)c(=N)cc(n1C)C2OC2c3ccccc3 -MOL_01_027033,Cc1nn(C)c(C)c1NCc2c(Cl)cc(cc2Cl)-c3ccnc(c3)N4CCNCC4 -MOL_01_027034,N=C(O)c1ccc(nc1)NC(=N)C(CC2CCCC2)n3cnc(c3)CC4CC4 -MOL_01_027035,NCCCCCC(O)Nc(c1)ccc(c12)nc(nc2O)N3CCNCC3 -MOL_01_027036,Fc1cc(ccc1)C(=N)N(C2)CCc(c23)ncc(c3)NCc4cccc(F)c4 -MOL_01_027037,c1cccc(c12)c(N)cc3n2c(cc3CN)C(N)c4ccccc4 -MOL_01_027038,Cc1ccc(n1CN)-c2cc(Cl)ccc2ON -MOL_01_027039,O=C(C)c1cccc(c12)c(ncn2)CCc3cccc(c3)ON -MOL_01_027040,Cn1c(=O)n(C)c(=O)c(c1C)CN2CCN(CC2)c3cccc(Cl)c3 -MOL_01_027041,CC1C(=O)OC(CN)(CN)c(c12)cc(cc2)Cc3ccc(F)c(Cl)c3 -MOL_01_027042,NC1CC(C)(C)CC(=C12)CC(N)=C(CN)C2c3cc(F)c(F)c(F)c3 -MOL_01_027043,c1ccncc1CCNC(=N)c2cccn(c23)c(=N)c4c(n3)cc5c(c4)cccc5 -MOL_01_027044,Cc1cccc(c1)C(N)N2CCC(CC2)C(N)c3ccc(F)cc3 -MOL_01_027045,NCc1cc(c(CN)cc1Cl)NC2=CC(N)C(N)c(c23)cccc3 -MOL_01_027046,C1CCCC1NC(O)Cn(nc2)c(O)c(n23)cc4c3ccc4 -MOL_01_027047,c1ccnc(c12)c(C)c3c(c2C)C(O)N(C3O)Cc4ccc(F)cc4 -MOL_01_027048,NCc(c1)ccc(c12)nc(C)c(c2)CC(C(=N)c3cccnc3)c4ccccc4N -MOL_01_027049,Cc(c1)cc(n12)nc(cc2N)CCC(N)c3cccc(c3)NC(N)CCc4ccccc4Cl -MOL_01_027050,CC(=O)c1ccc(cc1)-n2nnnc2CCC(=O)N(C3)CCc(c34)cccc4 -MOL_01_027051,c1cccnc1CCc2n(C)c(nn2)-c3ccccc3CN -MOL_01_027052,c1ccccc1CC(CN)C(N)Cn2c(N(N)O)nc(c23)cccc3 -MOL_01_027053,c1ccccc1-n2ncc(c23)c(nc(n3)C)CCc4ccccc4F -MOL_01_027054,COc1ccc(-c2cc(C)no2)cc1CN3CCOc(c34)cccc4 -MOL_01_027055,c1ccccc1-n2c(=O)c(c(N)n2C)CCc3ccc(F)cc3 -MOL_01_027056,COc1ccc(C)cc1Nc2cc(n(n2)C)-c3ccc(O)cc3O -MOL_01_027057,CC(C)(C)c1ccc(cc1)N(C)c(nc2N)cc(c23)nccc3 -MOL_01_027058,Cc1ccc(cc1N(C)C)NC(=O)CCNCc(c2)ccc(c23)nc(o3)O -MOL_01_027059,Cc1nc(N)cc(n1)-c2cc(CN)c(C)cc2C -MOL_01_027060,Cc(c1)cnc(c12)N(CC(=O)O)CN(C2)Cc3ccc(C(F)(F)F)cc3 -MOL_01_027061,CCc1cc(N)c(Cl)cc1C(=O)NC(CN23)C(CC2)CC3 -MOL_01_027062,NCCCn(c1CCN)nc(c12)cc(cc2)C(N)CCc(c3)ccc(c34)CCC4 -MOL_01_027063,c1cccc(c12)c(nn(C)c2=N)-c3ccc(cc3)C(=N)N4CCN(CC4)Cc5ccccc5 -MOL_01_027064,Fc1ccc(cc1)C(N)N2CCC(CC2)C(N)N3CCCc(c34)cccc4 -MOL_01_027065,Oc1c(C)c(O)c(C)c(c12)ncc(n2)C3CCOCC3 -MOL_01_027066,FC(F)(F)c1cc(ccc1)Cc2c(CN)cc(NCCC(N)N)c(c23)nccc3C -MOL_01_027067,CC(C)(C)c1cccc(n1)OC(C2)COc(n23)nc(c3)CO -MOL_01_027068,c1ccccc1C2=NC(N)=C(C2=O)C(CC3)=Cc(c34)cccc4 -MOL_01_027069,Cc1ccccc1OCc2nnc(n2C)CCc(n3)cc(N)c(c34)cccc4F -MOL_01_027070,Cc(c1)ccc(c12)nc3c(c2)C=NN=C(C3)Nc4ccccc4Cl -MOL_01_027071,Cc1cc(C)c(CN)nc1CC2=C(C)CC(CC2N)c3ccccc3 -MOL_01_027072,Clc1cc(Cl)ccc1C(CC(=N)N)NCc2ccccc2 -MOL_01_027073,Cc1cc(ccc1)N(CC)CCCNC(=O)CCc2cc(=O)n(C)c(c23)cccc3 -MOL_01_027074,NC(=O)CCCCC(=O)c1ccc(cc1)CN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_027075,Fc1ccc(cc1)N2C(=O)C(C)CC\2=C(\CN)C(=O)NCc3ccco3 -MOL_01_027076,Cn1ccnc1CCCNc2cc(ncn2)N3CCOCC3 -MOL_01_027077,CC(C)(C)c1cnc(c(Cl)c1)-n2cccc2C(O)NCc3ccccn3 -MOL_01_027078,N=C(N=1)C=c(c12)c(ccc2O)C(O)CNCCc3cccc(c3)CNCCCc4ccccc4 -MOL_01_027079,NNc1ccc(cc1)N(C(=N)C2(C)C)C2c3ccccc3N -MOL_01_027080,NCc(c1)ccc(c12)nc(CCCNC(=C)C)c(c2)Cc3cnc(CCC)c(c34)cc(CN)c(c4)CN -MOL_01_027081,Cc1ccccc1C(=N)N2CCC(CC2)N3C(=N)CCc(c34)cccc4 -MOL_01_027082,NCCCC(C1=N)=Nc(c12)c3c(nc2)cccc3 -MOL_01_027083,CCc1cc(C(C)N)ccc1Nc2nccc(n2)Cc3cccc(c34)CN(C)C4N -MOL_01_027084,Clc1ccc(cc1)C(CCN(C)C)NC(=N)c2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_027085,CNc1cc(cc(CO)c1C)-c2cncc(c23)cccc3 -MOL_01_027086,Cc1cn(C)c(c1C(N)O)CC(N)N2CCN(CC2)c3cccc(c3)C(C)(C)C -MOL_01_027087,C1CCCC1CC(N)CCc2n(-c3ccc(cc3)OC)c(nn2)Cc4cccn4C -MOL_01_027088,CC1(C)CC(C1)CCc2cncc(c2)C3NC(=N)CC3c4cccc(F)c4 -MOL_01_027089,COc1ccc(cc1)-c2nnc(n23)ccc(n3)CCC(=O)NCC4CCCO4 -MOL_01_027090,c1ccccc1CC2(O)CCN(CC2)C(N)c3ccc(cc3)NCc4cccc(c45)cc(F)cn5 -MOL_01_027091,Cc1ccc(cc1)NCc(c2)ccc(c23)nc(C)cc3C(=O)CCC(=O)N -MOL_01_027092,c1ccccc1-c2n(C)c(nc2)CCc3ccc(CN)c(CN)c3CN -MOL_01_027093,c1ccccc1C(CN)(c2ccccc2)CCCCN(CC3)CCC3(N)c4ccc(Cl)cc4 -MOL_01_027094,COc1ccn(n1)-c2ccc(cc2F)C3CC(OC3=O)CCC(=O)C -MOL_01_027095,FC(F)(F)c1cc(F)ccc1N2CC(C)N(CC2)/C=C3\C=CC(=C3)C(C)(C(F)(F)F)C(N)N -MOL_01_027096,CCCCC(C(C)=N)NC(=N)Cn(c(=N)n1C)c(=N)c(c12)cccc2 -MOL_01_027097,C1CC1C(=O)Nc2cc(ccn2)Nc3c(Cl)ccc(c34)CCC4 -MOL_01_027098,c1cccc(c12)nc(cc2N)NC(N)CCCc3ccc(Cl)c(Cl)c3 -MOL_01_027099,c1cccc(c12)ncn2CC(N)CCC(N)NCCc3ccccc3 -MOL_01_027100,Nc1cc(N)cc(c1)Cc(n2)cc(c(c23)cccc3)C(N)CC4CCCCC4 -MOL_01_027101,c1cccc(c12)NC(=N)C3N(C2=N)CCN(C3)C(=N)c4ccc(cc4)-c5ccccc5 -MOL_01_027102,c1ccccc1C(C(=O)CCl)Cc2cc(O)nc(c23)cccc3 -MOL_01_027103,Cc1ccc(C)c(c1)N2CCN(CC2)C(=N)C3CCN(CC3)Cc(c4)ccc(c4=5)=NC(C5)=N -MOL_01_027104,OCc1cccc(c12)c(cc(n2)O)C3CCCCC3 -MOL_01_027105,c1ccccc1CC(C(=O)O)NC(=O)C2CCN(CC2)Cc3cccc(C(F)(F)F)c3 -MOL_01_027106,Cc1ccc(cc1)-c(n2)cnc(c23)N(C)CN=C3N -MOL_01_027107,C1CCCCC1c(cc2N)nc(c23)ccc(c3)CC(N)c4cccc(F)c4 -MOL_01_027108,NCc1ccccc1OCC(N)C2CCC(CC2)CC(N)Cc3ccc(F)cc3 -MOL_01_027109,CNc1cccc(n1)-c2ccc(N)c(c2)CNCCc3cccc(F)c3 -MOL_01_027110,c1ccccc1-n(cn2)c(=N)c(c23)ncn3Cc4ccccc4 -MOL_01_027111,CC(=C1)C(C)CC12C3(CCC(ON)CC3)Cc4c2cc(cc4)OCC(F)(F)F -MOL_01_027112,CC(=O)c1cccc(c1)Nc2c(CN)cnc(c23)cc(CN)c(c3)CN -MOL_01_027113,NCC1(CC1)NC(=N)C(NC2=N)Cc(cc3Cl)ccc3OCCCCOc(c24)ccc(Cl)c4 -MOL_01_027114,Clc(c1)ccc(c12)OC(N)(N)NC2CC(=N)CCc3ccccc3 -MOL_01_027115,NCC(=C)C1=C(C)N(C)C(C)=C(C(=C)CN)C1c2ccccn2 -MOL_01_027116,NCn(n1)cc(c12)CN(CC2CCN)C(=O)CCc3ccccc3 -MOL_01_027117,CN1CN=C(N)c(c12)ncc(n2)-c3ccc(NF)cc3 -MOL_01_027118,c1ccccc1C(C)Nc2nccc(n2)N3C(=O)CCC3C(C)C -MOL_01_027119,c1cccc2=C(CC)C(=O)C(C3=c12)=CC(=C3)C(=O)C4CNNC4 -MOL_01_027120,O=C(O)C1CN(C1)Cc(c2)ccc(c2C3(C45C678)C47C358)OCc9cc6ccc9 -MOL_01_027121,Cc1nc(CN)ccc1-c2ccc(cc2)CCc3ncccc3C(=O)N -MOL_01_027122,c1ccnc(c12)N(CN2CC(=O)O)Cc3ccccc3Cc4ccccc4 -MOL_01_027123,Cc1ccccc1CN(C2=N)CCc(c23)c(ccc3)OCC(=N)N4CCCCC4 -MOL_01_027124,c1cn(C)c(c12)ccc(c2)C(C)c3ccc(CN)c(CN)c3CN -MOL_01_027125,Cc1cc(Cl)cc(Cl)c1CNC(=O)C2CCc(c23)nccc3 -MOL_01_027126,NCc1ccc(cc1)NC(=O)c2cn(C)nc2CCc3cccc(C(F)(F)F)c3 -MOL_01_027127,CCNc(c(C)c1)cc(c12)CC(N)=C(CN)C2c(c3)cc(CC)c(c34)CCC4 -MOL_01_027128,CCc1ccc(cc1)CNC(N)c2cc(N)c(CN)c(n2)-c3cccc(Cl)c3 -MOL_01_027129,CC(C)(C)c1ccccc1OC2CCN(CC2)C(C=3)=NC(C34)=NC=NC4=O -MOL_01_027130,NOc(c1)ccc(c12)nc3c(c2)C=NN=C(C3)Nc4ccccc4 -MOL_01_027131,NCc1ccc(cc1)-c2ncc(C(N)c3ccc(F)cc3)n2Cc4ccccc4 -MOL_01_027132,c1cccc(c12)c(nc(n2)O)C(O)N(CCC3)CC34CCNC4 -MOL_01_027133,CC1(C)CN(CC(C1)(C)C)C(N)c2cc(CC)c(cc2)Nc3ncc(CN)c(n3)NC -MOL_01_027134,Cn1nccc1CCc2ccc(O)c(c2)-c3cc(C(=O)O)ccn3 -MOL_01_027135,Cc1ccc(C)c(c1)N2CCN(CC2)C(N)Cn3ncc(c34)c(N)cc5c4cc(C)cc5 -MOL_01_027136,CCCCNC(N)Cn1c(nc(c12)ccnc2)/C=C/c3cccc(C)c3 -MOL_01_027137,c1cccc(c12)c3c(cc2)c(nn3C)C(=N)N4CCN(CC4)c5ccc(Cl)cc5 -MOL_01_027138,CC(=O)Nc1c(Cl)ccc(Cl)c1OCc2cccc(c23)cncc3 -MOL_01_027139,n1cccc(c12)c(Cl)cc(c2C)CN3CCN(CC3)c4ccccc4CN -MOL_01_027140,C1=CCC(N)=NC1(C)c2cc(ccc2F)NC(N)c3ccc(Cl)cn3 -MOL_01_027141,n1ccnn1-c2ccc(C)cc2C(N)N3CCCCC3Cc4cccc(c4)-c5ccncc5 -MOL_01_027142,Clc1ccc(cc1)Cn2n(C)c(=N)c(c23)cc(cc3)NC(=N)NCc4ccccc4 -MOL_01_027143,c1cccc(c12)cc(C(=N)C(C)C(N)CN)nc2-c3ccccc3Cl -MOL_01_027144,Cc(n1)ccc(c12)c(ccc2)CCCN3CCN(CC3)Cc4ccc(O)c(N)c4 -MOL_01_027145,CC(=O)c(n1)cc(n12)c3c(nc2C)cc(Cl)c(Cl)c3 -MOL_01_027146,OC1CCC(CC1)c2cc(-c3ccccn3)nc(n2)-c4ccccn4 -MOL_01_027147,c1ccccc1-n2nc(C)c(c2C)C(N)CCC(N)Nc(c3)ccc(c34)CCC4 -MOL_01_027148,CCC(O)CCC(O)c1cc(-c2ccccn2)c(O)c(c13)cccc3 -MOL_01_027149,NCc1ccc(cc1)NC(C)c2c(C(F)(F)F)nn(C)c2CCc3ccccc3 -MOL_01_027150,CCc1cc(CN)cc(c12)c(ccn2)CCc3ccc(ON)c(Cl)c3 -MOL_01_027151,COc1ccc(OC)c(c1)-n2nnnc2CCC(=O)NCc(c3)ccc(c34)OCO4 -MOL_01_027152,CC(C)(C)c1ccc(nc1)Cc(c2)ccc(c23)nc(cc3)C(O)N(CCN4)CC45CC5 -MOL_01_027153,Cc1ccc(cc1)-c2nnc(o2)CCC(=N)Nc3cc(C(=N)N)ccc3C -MOL_01_027154,Cc1ccc(cc1)N(C2=NC(N)CC2)CC(N)N3CCc(c34)cccc4 -MOL_01_027155,CCCC(O)Cn1cc(nn1)CN(C(O)CC2)c(c23)cccc3 -MOL_01_027156,NC(N)CCNC(=N)C1(N)CCN1Cc2ccc(cc2)-c3ccccn3 -MOL_01_027157,Nc1ncc(cc1)CCc2c(ccnc2C)-c3ccc(c(Cl)c3)C(N)N4CCN(C)CC4 -MOL_01_027158,Cc1ccc(cc1)C(C(C)(C)C)NC(CC(C)C)C(=O)NCCN -MOL_01_027159,c1ccccc1C(C(O)CCC)C(=c(c23)cccc3)C(=N)C=2C4CCC4 -MOL_01_027160,Cn1cccc1Cc2nnc(n2-c3ccc(F)cc3)CCC(N)Nc4ccccc4 -MOL_01_027161,NC1CN(CC1)C(=N)c2ccc(F)cc2NCC(N)CN(CC3)CCC34Cc5c(N4)cccc5 -MOL_01_027162,Cc1cccc(c1)C(=O)NCc2nnc(n2-c3ccccc3)CCC(=O)Nc4ccccc4F -MOL_01_027163,CNc1c(Cl)nc(CCCN)n1Cc2ccc(cc2)CNc3ccccc3C(C)N -MOL_01_027164,CC(C)c(c(c1)N)cc(c1C23C)C(=N)C=C2C(C)(C)CCC3 -MOL_01_027165,c1ccccc1CC2C(=N)N(C)N(C2NN)c3ccc(C(F)(F)F)cc3 -MOL_01_027166,CC(C)(C)c(c(n1)O)nn(c12)c(nn2)CCC(O)c3ccc(Cl)c(Cl)c3 -MOL_01_027167,Nc(c1)ccc(c12)n3c(c2)c(N)c(cc3N)CC(N)C4CCCC4 -MOL_01_027168,C1CCC1(C(N)O)CCC(N)c(nc2CC)c(O)c(c23)ccc(c3)CC4CCCCC4 -MOL_01_027169,NCc1ccc(cc1)CC(N)c2nc(-c3ccccc3)cc(n2)-c4ccccc4 -MOL_01_027170,Cc(c1)ccc(c12)n(C)c(C)c2NNc3ccc(N(C)O)cc3 -MOL_01_027171,NCCC1=CC=C(CC1)c2cc(N)n(c2N)CCc3ccccc3 -MOL_01_027172,Cc1cccc(c1)C(=N)NC(CC(C)C)C(=N)NCCN2CCc(c23)cccc3 -MOL_01_027173,Cc1cccc(n1)CN2CCC(CC2)NC(N)C(N)(C3CCCC3)c4ccccc4 -MOL_01_027174,Cc1c(O)cc(c(C)c1O)CC(O)CC(C)(C)C -MOL_01_027175,NOc1ccccc1N2CCN(CC2)CCN(c3ccccn3)C(O)c4cccc(N)c4 -MOL_01_027176,CC(C)(C)c1cc(ccc1)C(=O)Nc2ccc(C)c(c2)CCCNC(=O)c3cccnc3 -MOL_01_027177,c1ccccc1CC(N)C(Cc(c2)ccc(c23)OCO3)Cc(n4)nc(O)c(c45)cccc5 -MOL_01_027178,NCc1cc(cc(c1)CN)C(=N)Cc2c(cc(Cl)c(c23)cccn3)CN4CCCCC4 -MOL_01_027179,CC(C)(C)c1cnc(nc1NC)Nc2cc(C)c(CN)cc2ON -MOL_01_027180,NCc1ccc(cc1)-c2ccc(cc2)Cc3ccccc3CC(=O)N -MOL_01_027181,COc1ccc(cc1OC)-c2nc(c(o2)C)C/C(C)=C/C(N)NCc3ccc(C)cc3 -MOL_01_027182,c1ccccc1C(C(=N)CC(N)(N)N)C(C2)CNc(c23)cccc3 -MOL_01_027183,Oc1ccc(cc1)CC(CO)NC(=O)c2cccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_027184,CCCC(C)(C)NC(=O)c1c(N)cccc1C(=O)Nc2ccc(cc2)OCC=C(Cl)Cl -MOL_01_027185,c1ccccc1C2CC(=NC2=O)N3CCN(CC3)C(=O)Nc4ccc(Cl)cc4 -MOL_01_027186,c1ccccc1NC(=O)Cc2c(Cl)cc(Cl)c(c23)cccn3 -MOL_01_027187,FC(F)(F)CC(N)NCC(C)(C)CN(c1ccccc1)C2=NCc(c23)cc(F)cc3 -MOL_01_027188,c1cccc(c12)c(nn2C(C)O)CCCCN(C)C -MOL_01_027189,CC(C)(C)c1cc(O)nc(c12)cc3c(c2)C(N)C(N)CC3 -MOL_01_027190,CCNc1cccc(c1N)CN2CCCC(C2)N(C3)CCc(c34)cccc4 -MOL_01_027191,n1cccn(c12)ncc2C(N)Cc3cc(Cl)ccc3OCCCCO -MOL_01_027192,CCn(n1)cc(c12)CN(CC2CCN)C(N)CCCc3ccccc3 -MOL_01_027193,NCc1ccc(Cl)c(c12)C(N)C(CC2)CN3CCCCC3 -MOL_01_027194,CCCC(=O)N1CCC(CC1)Cc2ccc(cc2)C(=O)NC(C(C)C)C(=O)CC -MOL_01_027195,Cc1ccc(cc1N)C2=NC(c3ccc(CN)cc3)C(=C2)C(=O)c4ccncc4 -MOL_01_027196,Fc1ccc(cc1)C(C)NC(=NC2=O)CC2(C)c3ccc(F)cc3 -MOL_01_027197,c1cnccc1-c2ccc(cc2C)C(N)Nc3ccc(CN)c(c3)N4CCN(C)CC4 -MOL_01_027198,c1cccc(c12)C(C3CC3)CCC2C(=N)c4cnccc4Cc5cccc(c5)CN -MOL_01_027199,COc(c1)cc(O)c(c12)CC(N)=C(CN)C2c3ccc(cc3)CC(C)C -MOL_01_027200,CC(C)Cc1ccc(cc1)C(C)c2nnc(n23)CCC(=N3)c4ccc(ON)cc4 -MOL_01_027201,CCc1cc(N)c(Cl)cc1C(=O)NC2CCN(CC2CC)CC3CCN(C(=O)C)CC3 -MOL_01_027202,CNOc1ccc(cc1)NC(=C)CN(C)Cc(c2)ccc(c23)NC(=C)CC3 -MOL_01_027203,N=C(N)c1cc(ccc1N)NC(=N)c2cccc(c23)c4c(C3=N)cccc4 -MOL_01_027204,CC(=O)c1ccccc1CC(=O)CCCc2ncn(C)c2-c3ccccc3 -MOL_01_027205,Fc1ccc(cc1)C(N2)N(C)C(=N)c(c23)c(CN)c(cc3)C(=N)NCc4ccc(F)cc4 -MOL_01_027206,CNc1cccc(c12)cc(c(n2)N)C(N)CC(N)(N)c3ccc(C(C)(C)C)cc3 -MOL_01_027207,CC(C)(C)NC(=N)C1CCN(CC1)Cc2cccc(c2)NC(=N)C3Cc(c34)cccc4 -MOL_01_027208,NC(N)CCC1(C(C)(C)C)NC(N)Nc(c12)ccc(c2)CN -MOL_01_027209,CC(C)(C)c1cc(O)nc(c12)cc3c(c2)C(N)(N)C(C3)N -MOL_01_027210,COc1ccc(cc1OC)C(N)CCCCc(c(c2)CN)nc(c23)cc(C)cc3C -MOL_01_027211,CCC(C=1)=Nc(c12)ccc3c2=CC(=N3)NC(=O)c4ccc(cc4)N(CC)CC -MOL_01_027212,CCc1ccc(nc1)-n2nc(C(C)(C)C)nc2CC(C)CC -MOL_01_027213,CNc(n1)cn(c12)CC(CC2)CCc3ccc(cc3)-c4ccc(F)nc4 -MOL_01_027214,c1cccc(c12)c(cc(n2)N)C(N)C3CCC(=NC3)c4ccccc4 -MOL_01_027215,c1ccccc1CCn2c(=N)cnc(c23)cnc(n3)CCc4ccccc4 -MOL_01_027216,Cc1c(O)c(C)c(C)c(c12)CC(C)(C)C2CN3CCN(CC3)c4ncccn4 -MOL_01_027217,Cc1cccc(c1)CCc(n2)ccc(c23)C(N)N(CC3)C4CCCC4 -MOL_01_027218,CC(=O)CC(C)(C)CCc1ccc(cc1)C(C(C)(C)C2)=Nc(c23)c(N)ncn3 -MOL_01_027219,NCC1CCN(CC1)c2nccnc2CC3CN(C3)c(n4)ccc(c45)cccc5 -MOL_01_027220,Nc(n1)nc(N)c(c12)Cc3c(cc(Cl)cc3)N2c4cccc(Cl)c4 -MOL_01_027221,NCc(c1)c(CN)cc(c12)cc(cn2)NC3CCCCC3 -MOL_01_027222,CC(C)(C)Oc1ccc(cc1)C(C)c(nc2N)cc(c23)nccc3 -MOL_01_027223,CCc1cc(Cl)c(C)c(c1CN)C(=O)NCCN2CCN(CC2)c3ccccc3 -MOL_01_027224,c1cccc(c12)nc(n2CCN)CCCCC(=O)c3ccccc3CN -MOL_01_027225,NCc1ccnc(c1)CC2CCC(C)N(C2)C(=O)c3ccccc3CC(F)(F)F -MOL_01_027226,c1cnccc1C(=C)Cc2ccc(cc2)Cc3ccnc(c34)cc(CN)c(c4)CN -MOL_01_027227,COc1ccccc1NC(=O)Cc2nnc(n2C)CCC(=O)NC3CCCCC3C -MOL_01_027228,Cc(c1)ccc(c12)CC(C)CN2C(=N)N3CCC(CC3)C(=N)NC4CCCCCC4 -MOL_01_027229,NCc1ccc(cc1)C(=O)Nc2n(C)c(cc2)-c3cc(CN)c(CN)c(c3)CN -MOL_01_027230,CC(C)(C)C(C)C(N)c1ccc(C(C2)CC2(F)F)c(n1)OCC3CC3 -MOL_01_027231,COc1ccc(OC)c(c1)-n2nnnc2/C=C/C(O)Nc3ccccc3N4CCOCC4 -MOL_01_027232,C1CCCC1C(=N)N(C2)C(=N)C(=N)N(C23)CCc4c3cccc4 -MOL_01_027233,c1ccncc1C(=N)CC2CCc(cc(CN)c(CN)c3CN)c3c(c24)ccc(c4)CC -MOL_01_027234,Cc1cccc(n1)NC(N)Cn2c(N)cc(c23)cc(cc3)C(N)c4ccccc4Cl -MOL_01_027235,Fc1ccc(cc1)C2(NC2(N)N)C(N)C3CC(C3)c4cccnc4 -MOL_01_027236,FC1CC1C(=N)Cc(nc2)cc(c23)ccc(c3)-c4cnccc4N -MOL_01_027237,Clc1ncc(cc1)C(=O)NCc2ccc(cc2)C3CCCNC3 -MOL_01_027238,CCC(O)C(C)n(c1O)nnc(c12)cc(c2)-c3ccccc3 -MOL_01_027239,CCCCCC(=O)N1CC(C)CC1c2nnc(CC)n2-c3ccccc3 -MOL_01_027240,CCC(=O)N1CCC(CC1)CN2CCC(C(C2)CC)NC(=O)c3cc(Cl)c(N)cc3CC -MOL_01_027241,CCc1cccc(c1)Nc2c(C(N)O)cnc(c23)ccc(c3)C(O)N(C)C -MOL_01_027242,NOc1ccccc1-c2nccn2CCC(=O)c3ccccc3 -MOL_01_027243,Fc1ccccc1CN(CC2(C)C)C(=N)C2Oc3ccc(CN)c(C(F)(F)F)c3 -MOL_01_027244,CCC(CC)NC(=N)c1nc(cnc1N)-c2ccc(C)c(Cl)c2 -MOL_01_027245,NCc(c1)ccc(C2=N)c1CCC23CCCCN3CCc4ccccc4F -MOL_01_027246,NC(=O)CC(C)(C1CC1)NC(=O)c2cc(CCC(F)F)c(cn2)C3CC3 -MOL_01_027247,c1ccccc1C(=N)Cn(c2C)c(C)c(c23)c(CN)cccc3=N -MOL_01_027248,CCC1CCCC1CNCc(c(n2)C(C)C)cc(c23)c(ON)c(ON)c(c3)ON -MOL_01_027249,OC1CCCCC1n(n2)c(O)c(c23)cnc4c3cccc4 -MOL_01_027250,c1ccccc1CC(CC2)C(N)c(c23)ccc(n3)CNc4cccc(F)c4 -MOL_01_027251,OC(C1)COc(c12)cc(cc2)C(O)CCc3cc(Cl)ccc3Cl -MOL_01_027252,Cc1cccc(c12)cc3c(n2)CC(NNC3)Nc4ccccc4 -MOL_01_027253,CC1CCC(CC1)NC(=O)CCCc(c2)ccc(c23)CCC(=O)N3 -MOL_01_027254,COc1ccc(cc1)C(O)(C(O)C(=N2)O)c(c23)cccc3 -MOL_01_027255,CC(C)Nc1c(c(=N)c1=N)C2(CCCCC2)c3ccccc3N -MOL_01_027256,n1nnnc(c12)CC(N(C)C)CC2c3nnnc(F)n3 -MOL_01_027257,CCCCN(CC1)CCC1(c2ccccc2)C(C)NC(N)c3c(N)cccc3Cl -MOL_01_027258,Nc(n1)nc(N)c(c12)cc(cc2)C(O)c3c(F)c(F)cc(F)c3F -MOL_01_027259,CC(=C1)C(N)=CC12C3(CCC(CN)CC3)Cc4c2cc(O)cc4 -MOL_01_027260,CCOC(=O)N1CCC(CC1)NCc(c(C)c2)cc(c23)OCC(=O)N3 -MOL_01_027261,CC(C)c(n1)ncc(COC2)c1C23CCC(C3)Cc4cccnc4 -MOL_01_027262,CC(C)(C)c(n1)cc(C(C)(C)C)c(c12)ccc3n2cc(n3)C(O)NCCN -MOL_01_027263,Cc1cc(N)nc(c12)ccc(c2)CC(N)CCc3ccccc3N -MOL_01_027264,NC(N)Cc(c1)c(CN)cc(c12)ncnc2CC3CC3c4ccccc4 -MOL_01_027265,c1cccc(c12)ccc(c2)C3C(CN)=C(N)CC(=C34)CC(CC4=O)c5ccccc5 -MOL_01_027266,c1cccc(c12)C(O)C(=C(C2O)CN)Nc3ccc(CN)cc3 -MOL_01_027267,N=C1C=C(N)N=C1c(n2)cc(c23)ccccc3 -MOL_01_027268,NCc1cccc(c1)CC(C2O)=C(Cl)C(O)c(c23)c(CN)ccc3CN -MOL_01_027269,CCc1cccc(c1)NCc(c2)ccc(c23)ncc(c3C)C(O)NC4CC4 -MOL_01_027270,O=C1NC(=O)C(N)C(=O)C1(CCCCC)Cc2ccc(cc2)Cc3ccc(Cl)cc3 -MOL_01_027271,Fc1cc(CN)ccc1CC2=C(Cl)C=NN(C2=C)Cc3cccc(c34)cccc4 -MOL_01_027272,c1cccc(c12)C(O)N(C(Cl)=CC2)CCCCN3CCC=C(C3)c4ncccn4 -MOL_01_027273,Fc1cc(ccc1)Cc2c(CN)cc(NCCCN)c(c23)nccc3C -MOL_01_027274,Fc1cc(cc(F)c1)-c2cc(CN)c(cc2)-c3nccc(c34)cc(cc4)CNc5nnco5 -MOL_01_027275,CN(C)CCNc(ccc1C)c(c12)C(N)c3c(C2N)c(Cl)ccc3Cl -MOL_01_027276,CNc1ccc(cc1)C(=N)Nc(c(=N)n2C)c(N)c(c23)cccc3 -MOL_01_027277,C1CC1NC(=O)c2ccnc(c2)N3CCCC(C3)c4ccc(Cl)cc4 -MOL_01_027278,Cc1cccc(c12)cc(c(n2)CN)C(=N)C3C(=N)CC(C)CC3=N -MOL_01_027279,Fc1ccccc1NNc2nc(N)cn(c23)cc(c3)C(N)N4CCCCC4 -MOL_01_027280,C1CCCCCC1C(=N)c2ncn(c2N)-c3ccccc3Cl -MOL_01_027281,NC1(N)CN(C)Cc(c12)cc(cn2)NC(N)c3ccccc3 -MOL_01_027282,c1ccccc1CC(C(=N)N)N2C(=N)/C(CC2=C)=C/c3ccc(cc3)C(=N)NCc4ccccc4 -MOL_01_027283,C1C=CCN1C(CC2)C(N(C)C(=C)N)c(c23)ccc(c3)CN -MOL_01_027284,NCc1ccccc1CN(C(=O)C)c2cnccc2Cc3ccccc3 -MOL_01_027285,Cc1nn(C)c(C)c1NCc2ccc(nc2)N3CCC(CC3)NC4CCN(C4)Cc5ccccc5 -MOL_01_027286,NC1NNNCC1c2cccc(c2)-c(c3)ccc(c34)CCCN4 -MOL_01_027287,Cc1ccc(cc1)-c2nn(C(C)C)cc2CNc3ccc(C)c(c3)CN4CCOCC4 -MOL_01_027288,c1cccc(c12)c(nn(C)c2=N)C(=N)Nc(c3)ccc(c34)ONO4 -MOL_01_027289,C1COCCN1c2c(C)c(ccc2)N3CCN(CC3N)C(N)c4cccc(C(F)(F)F)c4Cl -MOL_01_027290,NCc(cn1)cc(c12)c(cn2C)CCNC(N)C3CC3 -MOL_01_027291,Cc1ccc(c(c1)CN)-c2cncc(n2)CCCCCN -MOL_01_027292,CC(C)c1ncnc(c12)ccc(c2)-c3ccccc3N -MOL_01_027293,c1ccccc1-c2cc(C)c(cc2)C(=O)NCCCCC(=O)Nc3ccc(C(=O)N)cc3 -MOL_01_027294,Cc1ccnn1CC(=O)NC2CCCc(c23)nccc3 -MOL_01_027295,CC(C)CC(N)C(=O)NCc1cccc(c1)-c2cc(nc(n2)N)-c3ccccc3 -MOL_01_027296,CCn1c(C)nc(c12)C(O)c3c(C2O)cccc3 -MOL_01_027297,Cc1ccc(c(N)c1)-c2nccc(c2N)C(O)c3ccc(F)cc3F -MOL_01_027298,CCCc1ccccc1CC(=N)C(C=2)=CC(C23)=c4c(=CC3=N)cccc4 -MOL_01_027299,CC(O)Cc1c(N)nn(c1N)Cc2ccc(cc2)NC(O)c3ccccc3 -MOL_01_027300,Clc(c1)ccc(c12)NC(N)CC2(C(C)(C)C)CCc3ccncc3 -MOL_01_027301,NCc1ccc(cc1)CCNc2cc(nc(n2)CN)-c3cccc(c3)CN -MOL_01_027302,Cc1cnc(c(C)c1CN)CC(N2)Cc(c23)cccc3 -MOL_01_027303,CN(C)C(=N)Cc1ccc(cc1)CC(C(=N)O)Nc2ncncc2-c3ccncc3 -MOL_01_027304,c1cccc(c12)ncnc2C(C)(C(C)(C)C)c3ccc(CN)cc3 -MOL_01_027305,c1ccccc1N(CNC2=N)C23CCN(CC3)C4CCCCCC4 -MOL_01_027306,CC1CCCCN1C(O)c2cn(nn2)-c3ccc(cn3)C(C)(C)C -MOL_01_027307,CC(F)(F)CCC1(C)CCN(CC1)C(O)c2ccc(cc2CN)NCc3cccc(c34)nccn4 -MOL_01_027308,c1ccccc1-c2c(N(O)CNC)c(Cl)nc(c23)cccc3 -MOL_01_027309,FC(F)(F)c1ccccc1C2CC(=N)N(C2=N)CCN3CCN(CC3)c4ccccc4F -MOL_01_027310,NCc1c(N)nc(ON)c(CN)c1-c2ccc(Cl)cc2Cl -MOL_01_027311,CNc1ccc(cc1)CCc2nc(O)c(CN)c(n2)-c3ccccc3 -MOL_01_027312,CCCc1ccc(cc1)CCCC(=N)CCC(=N)c2c(N)n(C)c(=N)n(C)c2=N -MOL_01_027313,c1nc(N)nc(c12)ccc(c2)-c3c(=N)n(ccc3N)-c4ccc(Cl)cc4 -MOL_01_027314,CCN(CC)CC1CCN(CC1)c(nc2O)cc(c23)c(NO)cc(c3)C(F)(F)F -MOL_01_027315,Cc1cccc(c1)C(=O)NCc2nnc(n2-c3ccccc3)CCC(=O)Nc4ccccc4C -MOL_01_027316,COc1cc(C(=O)C)ccc1OCC(O)CC2CCC(CC2)c3ccccn3 -MOL_01_027317,CC(C)N1CCCN(CC1)C(N)C2CCN(CC2)c3ccc(cn3)C(N)N4CCCC4 -MOL_01_027318,CC(C)c1ccccc1C(CN)C(=O)N2CCC(CC2)Cc3ccc(C(F)(F)F)cn3 -MOL_01_027319,NCc1ccccc1N2CCN(CC2)C(C3N)=CC(N)c(c34)cccc4 -MOL_01_027320,CC(C)C1CCN(CC1)c2ccnnc2CC3CN(C3)c(n4)ccc(c45)cccc5 -MOL_01_027321,c1cccc(c12)cc(O)n2Cc3nnc(n3C)CCC(O)NCC4CCCO4 -MOL_01_027322,Nc(n1)ccc(c12)c(ccc2C)C(C)CNCCc3cccc(c3)CNCCc4ccccn4 -MOL_01_027323,NOc1cc(C(C)(C)C)ccc1-c2cc(C)c(cc2)-c3cnc(N)cn3 -MOL_01_027324,CNc1ccc(cc1)CC(=O)C(Cc2ccccc2)NC(=O)CCc3ccccc3 -MOL_01_027325,NCc1c(C(C)=N)c(O)c(c(c12)occ2)CCc3ccc(C(C)(C)C)cc3 -MOL_01_027326,Cc1cc(ON)c(cc1Cl)C(=O)CCC2CCC(C23)CCC3 -MOL_01_027327,c1ccc(n12)cc(CN)c(N)c2C(O)c3ccc(Cl)cc3 -MOL_01_027328,C1CC(=O)Nc(c12)cc(C)c(c2)CCCC(=O)N3CCCCC3C -MOL_01_027329,CCC(N)c1cc(F)cnc1N2CCC(CC2)NC3CCCCC3 -MOL_01_027330,CCC(=O)c(n1)nc(C)c(c12)cc3c(n2)cc(CC)c(c3)CC -MOL_01_027331,c1cccc(c12)c(=C)n(c2=C)Cc3ccc(CN)c(c3)C(=C)Nc4ccccc4N5CNCNC5 -MOL_01_027332,c1cccc(c12)C(=N)N(CCC(C)C)C2C(=N)NCCc3ccc(CN)c(c3)CN -MOL_01_027333,Clc1ccc(cc1)NC(=N)C2=C(O)N(C)Cc(c23)cc4c(c3)cccc4 -MOL_01_027334,O=C(N=1)N=c(c12)cccc2Oc3cccc(c3)NC(=O)c(c4)ccc(c45)NCN5 -MOL_01_027335,CC(=O)NC(C)c1ccc(cc1)CC2CCN(C2)c3ccnc(c3)CC(C)C -MOL_01_027336,CC(C)(C)C(CC1)=Nn(c12)c(nn2)-c3ccco3 -MOL_01_027337,Clc(c1)ccc(C(=O)C(C)C2=O)c1C23CC(=O)CC3=O -MOL_01_027338,NCC1CCC(CC1)c2nc(cc(c23)cc(N)cc3)-c4ccc(N)cc4 -MOL_01_027339,O=C1CC(C(=O)N1)c2ccccc2NC(=O)NC3CCCCC3 -MOL_01_027340,CC(=O)c1cc(nc(n1)C)-c2ccc(c(CF)c2)CCNN(C)C -MOL_01_027341,c1cccc(c12)CCN(C2)CC(C)CNC(=N)c3cccc(c3)N(C)C4CNCNC4 -MOL_01_027342,C=C(C)Nc1ccc(cc1)CNCc2cc(no2)-c3ccc(CN)cc3 -MOL_01_027343,N=C1N=CN=C(C1=2)C=C(CN)C2c3ccc(F)cc3 -MOL_01_027344,c1cccc(c12)nc(C)c(c2C)CC(N)NCc3cccc(F)c3 -MOL_01_027345,c1cc(N)cc(c12)CCCN2C(=N)Cc3ccccc3CN -MOL_01_027346,NC1CCNC(N)c(c12)n(cc2)-c3ccc(cc3)-c4ccccc4 -MOL_01_027347,COc1ccc(cc1OC)-c2nc(c(o2)C)CC(C)CC(=N)NCCc3ccc(Cl)cc3 -MOL_01_027348,CCN(CC)Cc1cn(cn1)-c2cc(C)nc(c23)ccc(c3)ON -MOL_01_027349,Clc1cc(ccc1)C2CC(=N)N(C2=N)CN3CCN(CC3)c4ccccc4F -MOL_01_027350,Cc1ncc(CCN)n1C(C2)CCc(c23)c(CN)cc(Cl)c3 -MOL_01_027351,CC(=N)CCc1nccn1CCCCCC2(c3ccc(CN)cc3)c(cccc4)c4c(c25)cccc5 -MOL_01_027352,CCCCC1CN(Cc(c12)n(C)nc2)C(O)Cc3ccccn3 -MOL_01_027353,CCOC(N)N1CCN(CC1)C(N)c(c2)ccc(c23)Cc4c(C(=N3)C)cc(Cl)cc4 -MOL_01_027354,NCc1c(C)cc(cc1)N2C(C(C)C2=C)c3cc(CN)c(CN)c(c3)CN -MOL_01_027355,CCNC(N)N(C1)CC2=CC(C)(C)CCc(c2c13)ccc3CN -MOL_01_027356,CCCc1ccccc1N2CCN(CC2)C(N)c(c(c3)CN)cc(c34)cccc4 -MOL_01_027357,CC(=O)Nc1ccccc1CCc2nccn2-c3ccccn3 -MOL_01_027358,Cc1cnc(c(Cl)c1CN)CC(C)C(N=2)=NC(C23)=CC=C3 -MOL_01_027359,Cc1cccc(C)c1-c2ccc(cc2ON)C(C)CCc3c(C)nc(N)nc3N -MOL_01_027360,NOc1cccc(c1ON)-c2cc(-c3ccncc3)nc(n2)C4CCOCC4 -MOL_01_027361,c1cccc(c12)NC(NC2O)c(n3)cnc(c34)cccc4 -MOL_01_027362,c1ccccc1C(CN)C(=N)c2cccn(c2=N)Cc3cccc(Cl)c3 -MOL_01_027363,CCNC(=N)C1=C(C)NC(C)=C(C(=N)NC)C1c2ccc(Cl)c(Cl)c2 -MOL_01_027364,CCc1ccc(cc1)Cc2cccn(c23)nc(n3)Nc4cnn(c4)CC -MOL_01_027365,COc1cccc(c12)c3c(c(c2)CCCO)CCC3c4ccccc4N -MOL_01_027366,c1ccccc1CCc2cc(ccc2CN)C(N)N3CCN(CC3)c4ccncn4 -MOL_01_027367,NCc1ccc(c(CN)c1CN)-c2nccn2CCN3CCCCC3 -MOL_01_027368,c1ccccc1C2=CC(=O)C(C2)C(C(=O)N3)Nc(c34)cccc4 -MOL_01_027369,CNc1ccc(cc1)C(C2N)Cc(c23)cc(NC)c(NC)c3NC -MOL_01_027370,CC(C)(C)c1ccnc(c1)-n2ncc(c2O)-n3ccnn3 -MOL_01_027371,NCc1cccc(c1)C2CCN(C2N)c3ccc(cc3)-c4ccncc4 -MOL_01_027372,c1cncnc1-c2cc(=O)n(C)c(n2)CC3CCN(CC3)CCC4CCNCC4 -MOL_01_027373,CCCn1cnnc1NCc2cc(c(Cl)cc2CCC(=O)O)C(=O)Nc3ccc(C)cc3 -MOL_01_027374,C1CCCCC1CNC(C(C)(C)C)C(N)N(C2)CCc(c23)cc(CN)c(c3)CN -MOL_01_027375,CC(=O)c1cc(ccc1)N(C(=O)CC(C2)CC)C2(C)C(=O)CC3CCCC3 -MOL_01_027376,Cc1ccc(n12)nc(C)c(c2O)C(O)NCC3CCCC3 -MOL_01_027377,CCCc1cc(n(n1)C)C(O)N(C)Cc2ccc(CN)c(c23)nccc3 -MOL_01_027378,NC(O)C1CCCN1c(n2)cc(O)c(c23)cccc3 -MOL_01_027379,c1ccccc1C(=N)N2CCN(CC2)C(=N)C(c3ccc(Cl)cc3)c4cccnc4 -MOL_01_027380,Nc1cn(cn1)-c(c2)c(OC)cc(c23)c(=N)n(cc3)CCc4cccc(Cl)c4 -MOL_01_027381,c1ccccc1CC2C(=C)N(C2c3ccc(CC)cc3)c4cc(CN)c(CN)c(c4)CN -MOL_01_027382,CCCn1c(C)cc(c12)c(CN)ccc2CN -MOL_01_027383,NCc1c(O)nc(cc1C(C)(C)C)-c2ccccc2ON -MOL_01_027384,c1occ(c12)c(CO)c(c(c2CO)NC(C)N)CCCN(C)C -MOL_01_027385,c1ccccc1C(CC(=N)O)(CC(=N)O)c2ccccc2 -MOL_01_027386,Fc1cc(cc(F)c1)C(=N)C2CCCC(C2)c3nccn3CCCN -MOL_01_027387,c1cccnc1/C=C2\CC(=C)N(C2=O)c3ccc(cc3)OCC -MOL_01_027388,COc1ccc(cc1)C(=O)NCCc2nnc(n23)ccc(n3)CCC(=O)NCc4ccccc4 -MOL_01_027389,Cc1nn(C)cc1C2=NCN(C)C(=C2)C(O)Nc3ccc(Cl)cc3 -MOL_01_027390,O=C(O)/C(C)=C/CC1CCN(CC1)Cc(c2)ccc(c23)Cc4c(N3)nccn4 -MOL_01_027391,CCc1ccc(C)cc1CN(C)Cc(n2)nc(O)c(c23)cnn3C -MOL_01_027392,COc1cc(CO)ccc1CC(=O)CC(C)C -MOL_01_027393,NCc1ccc(cc1)-c(c2)ccc(c23)n(C(=O)N)c4c3c(N)ccc4 -MOL_01_027394,c1ccc(n12)nc(cc2N)CCC(N)c3ccccc3NC(N)CCc4ccc(Cl)cc4 -MOL_01_027395,CCc1c(N)c(N)cc(c12)C(C=CC2)C3CCCCC3 -MOL_01_027396,Cc1ccc(c(C)c1)N(C(C)N)Cc(c(n2)C)cc(c23)cc(cc3)CN -MOL_01_027397,FNc1cc(ccc1)C(O)N(c2ccccn2)C(C)CN3CCN(CC3)Cc4ccccc4 -MOL_01_027398,C1CNCCN1c2cc(ccc2OC)CNc3cc(Cl)cc(Cl)c3OC -MOL_01_027399,COc1ccc(cc1)NC(=O)C2=NC(=O)N=C2c3cc(OC)c(OC)c(c3)OC -MOL_01_027400,CCCC(O)Nc(nc1N)cc(c12)CCC(=N2)c3cccc(c3)CC -MOL_01_027401,c1cccc(c12)C(C)(C(F)(F)F)c3c2ccc(c3)-c4ccccc4NC(=N)N -MOL_01_027402,NCc(c1)c(CN)cc(c12)ncc(CN)c2Nc3ccc(Cl)cc3N -MOL_01_027403,c1cccnc1-c2ncc(CC)c(n2)-c3ccc(CN)cc3 -MOL_01_027404,c1ccccc1-c2cc(CC)n(n2)CC(C)c3ccc(CN)cc3 -MOL_01_027405,c1ccncc1NC(=O)CCc2ccc(cc2)C(=O)c3cccc(Cl)c3 -MOL_01_027406,Oc1ccc(cc1)C(CC(O)O)NC(O)Cn2cnc(c2)CCCNc3ccccn3 -MOL_01_027407,Cc1ccccc1CCC(N)Nc2ccc(cc2)C(N)CCc(n3)cc(N)n(c34)c(C)cc4 -MOL_01_027408,CC(O)Cn1c(O)cc(-c2ccccc2)c1-c3ccccc3 -MOL_01_027409,CCCn1c(O)nnc1CCC(=O)Nc2cc(ccc2OC)CN3CCOCC3 -MOL_01_027410,CCc1cc(CC)cc(c1)C(O)Nc(n2)ncc(c23)C(O)CC(C3)(C)C -MOL_01_027411,Clc1ccc(cc1)C2(C(N)CC(N)C2)c3ccc(Cl)cc3 -MOL_01_027412,n1ncccc1N2CCCC(C2)NCc3cccc(c34)CCCC4 -MOL_01_027413,C1COCC1C(C2)Cc(c23)c(nn3C)Cn4cccn4 -MOL_01_027414,c1cccc(c12)c(cc(n2)C)C(=O)CCC(=O)NC(=O)NC3CCCCC3 -MOL_01_027415,Cc1nccc(c12)c(nc(n2)N)NCc3ccccc3 -MOL_01_027416,CCc1cc(ccc1O)-c2c(C)c(CC)nc(N)c2CN -MOL_01_027417,O1CCOc(c12)ccc(c2)C3=NN(C(O3)=C)CN4CCN(CC4)c5ccccc5F -MOL_01_027418,c1cccc(c2)c1cc(CC3=N)c2C(=N)C(C34)c5c(CC4=N)cc(N)c(c5)N -MOL_01_027419,c1ccccc1CN(c2cc(C)ccc2)C(=N)C3=CN(CN)N(CN(F)F)C=C3 -MOL_01_027420,C1CC1c2cnc(cc2CC(C)C(F)(F)F)C(=O)NC3(CC(=O)N)CCC3 -MOL_01_027421,Cc1cccc(c12)cc(CC)c(n2)CCC(=O)Nc3cc(C)on3 -MOL_01_027422,NCc1cccc(c1)N2CCN(CC2)C3=C(Cl)C(N)N(C3N)c4ccc(C(F)(F)F)cc4 -MOL_01_027423,Cc(n1)cc(C)c(c12)c(O)nc(n2)CCC(=O)c3ccc(F)c(C)c3 -MOL_01_027424,CNc1cn(C)nc1C(O)Nc2ccn(n2)Cc3c(C)c(C)cc(C)c3C -MOL_01_027425,CC(C)CC(=O)c(c1)ccc(CC2=O)c1C23NCC(CN3)CCCN -MOL_01_027426,CN1CCN(CC1)CCCNC(N)c(c2)ccc(c23)CCCN3Cc4ccc(F)cc4 -MOL_01_027427,Cc1cnn(n1)-c2ccc(cc2)CNc3ccc(cn3)CNc4c(C)nn(C)c4C -MOL_01_027428,O=C(O)c1ccc(cc1)C(C)NC(=O)c2cc(Cl)cnc2Cc3cccc(c3)CN -MOL_01_027429,Cn1ccnc1-c2cccc(c23)ccn3Cc4ccc(CN)cc4 -MOL_01_027430,Cn1ncc(c1Cl)C(O)N2CC(C2)Nc3cc(O)nc(c34)cccc4 -MOL_01_027431,NCCc1ncn(c12)CCN(C2)C(C)Nc3ccccc3 -MOL_01_027432,Cc1ccc(cc1)Nc2nccc(n2)NC3=C(C(O)=C3O)NC(C)C(C)(C)C -MOL_01_027433,Cc1cccc(c12)N=C(O)C2CC(O)c3cccnc3 -MOL_01_027434,Fc1cc(cc(F)c1)NCC(=O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_027435,NCC(=N)c1c(F)cccc1-c2ccc(c(F)c2)CNC(=N)C3(CC3)NC(=N)C(F)(F)Cl -MOL_01_027436,NOc1ccc(cc1)-c2nc(C)nc(c2)C(=N)Nc3cccc(C(F)(F)F)c3 -MOL_01_027437,Clc1ccc(cc1)C2C(CN)=C(N)CC(=C23)/C(CN(C3)C)=C/c4ccc(Cl)cc4 -MOL_01_027438,OC(N1)Cc(c12)c(ccc2Cl)CCCNCc3ccccc3 -MOL_01_027439,COc1cccc(c1)C(=N)NC(C=2)=Nc(c23)ccc4c3=CC(=N4)NC5CCCCC5 -MOL_01_027440,Cc(c1)ccc(c12)NC(C(C)C)=C(C2)C(N)N3CCCCC3 -MOL_01_027441,Cc1ccc(Cl)cc1N2CCN(CC2)CCCNC(N)C(C3)CCc(c34)cccc4 -MOL_01_027442,NCc1ccc(cc1)C(N)Cc2cc(-c3ccccc3)nn2-c4ccccc4 -MOL_01_027443,CCc1c(CN)c(N)c(CN)c(-c2ccc(OC)cc2)c1-c3ccc(F)cc3 -MOL_01_027444,COCCN(C)C(N)c1ccc(cn1)-c2ccnc(C)c2CCc3ccc(N)nc3 -MOL_01_027445,C1CCCCN1C(=C)c2cccc(c2)N(C3=C)C=Cc(c34)cc(ON)cc4C -MOL_01_027446,O=C1CCNC(=O)N1CCCN2CCN(CC2)c3ccc(F)cc3CCC(F)(F)F -MOL_01_027447,CCc1ccc(cc1)NC(C2)=NN=Cc(c23)cc4c(n3)ccc(c4)CN -MOL_01_027448,CC(C12)C(CC1)CC(C2)CC(=N)c3nn(CC(F)F)c(c34)cccc4 -MOL_01_027449,NOc1ccc(cc1ON)-c2cc(C(F)(F)F)nc(n2)CC3CCCC3 -MOL_01_027450,Cn(c1)ccc(c12)nc(c2)-c3ccc(nc3)NCCCF -MOL_01_027451,NCc1ccc(cc1)NC(C2=O)=NC(=O)c(c23)cnnc3 -MOL_01_027452,Cc1ccc(cc1)C2C(CN)=C(N)Cc(c23)cc(C)cc3N -MOL_01_027453,Cc1cc(C)cc(c1)-c2cc(ON)cc(c2)C(C)CCc3c(C)nc(N)nc3N -MOL_01_027454,Cc1ccc(C(C)(C)C)cc1NC(=N)Nc2ccc(cc2)CCc(n3)ccc(n34)nc(c4)N -MOL_01_027455,C1CCCCN1C(=N)C2=C(C)N(Cc3ccc(F)cc3)C(=N)C(C2)CC(=N)NC4CCCCC4 -MOL_01_027456,c1cccnc1CC(O)c(nc(c23)cccc3)n2CCN4CCOCC4 -MOL_01_027457,C1CCCCN1C2(C(=O)N)CCN(CC2)C(=O)CCCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_027458,c1cccc(c12)N=C(N)C2(C)CC(N)c3ccc(cc3)-n4cccc4 -MOL_01_027459,CCNC1CCC(NN1)c2cc(C)n(c2C)CCc3ccccc3 -MOL_01_027460,CNC(=O)C(C(C)(C)C)NC(=O)c1cc(c(Cl)cn1)CC2CCC2 -MOL_01_027461,c1cccc(c12)c(C(N)C(F)(F)F)cc3c2Nc4c(C3(C)C(F)(F)F)cc(cc4)CN -MOL_01_027462,c1cccnc1CN(CCC2)CC23CNCc4c(O3)nccc4 -MOL_01_027463,c1cccc(c12)c(nnc2C)Cc3ccc(F)c(c3)N(C(O)C4)C(O)C4(C)C -MOL_01_027464,FC(F)(F)C(N)(C(F)(F)F)c(cc1)cc(c12)c3c(cccc3)c(=N)n2CC4CC4 -MOL_01_027465,CCC(C)Cc(n1)nnc(c12)N(C)c3c(N=N2)nnnn3 -MOL_01_027466,CC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)CNCc3ccccc3 -MOL_01_027467,c1ncncc1C(=O)Nc2cccc(c2)CCC(O)CN(C3)CCc(c34)cccc4 -MOL_01_027468,Cc1nc(C)c(c(C)c1CN)CCC(=O)Nc2ccccc2CN -MOL_01_027469,Cc1n(C)nc(C)c1NCc2ccc(cc2C)-c3ccnc(c3)N4CCNCC4 -MOL_01_027470,c1cccc(c12)c(N)c(n2C)C(O)Cc3ccccc3 -MOL_01_027471,C1CCc(c12)ccc(c2)NC(O)CN3CCN(CC3)c4ccc(C(F)(F)F)cn4 -MOL_01_027472,c1ccc(n12)cc(CN)c(N)c2C(N)c3ccc(cc3)CCc4ccccc4 -MOL_01_027473,CNC(O)c1cccc(c1)Nc2nc(ncc2C)N3CC(C3)Cc4ccc(C)cc4 -MOL_01_027474,Cc1ccc(cc1F)NC(=O)CCN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_027475,CNc1ccccc1C(=N)N(C(=N)C2)Cc(c23)cc(cc3)NC(=N)c4ccccc4 -MOL_01_027476,c1ccccc1CNC(C)(C)c(c2)ccc(c23)CNCN(C3)Cc4cccn4-c5ccccn5 -MOL_01_027477,c1ccccc1C2CNCc(c23)cc(nc3)NCCCN4CCCCC4 -MOL_01_027478,c1cccc(c12)OC(C(C)C)C(=N)N2CC(=N)NC3CCCCC3 -MOL_01_027479,CCc1cc(nc(n1)CC)NCc2ccc(cc2)NCc3ccc(cc3)NC(=O)C -MOL_01_027480,Fc1cc(F)ccc1N(N(O)C=2)C(O)=c(c23)cc(F)cc3 -MOL_01_027481,Cc1ccnc(c12)c(N)cc(CN)c2Cc3cccc(c3)C(C)(C)C -MOL_01_027482,OCCc1ccc(cc1)Cc2cc(ncn2)-n3cnc(c34)cccc4 -MOL_01_027483,COc1ccccc1Cc(nc(c23)cccc3)c(n2)CCC(=N)N4CCC(C)CC4 -MOL_01_027484,CCc1nccn1CCCCc2ccc(cc2C(F)(F)F)-c3ccnc(c3)CN -MOL_01_027485,ClCC(=O)Nc1cc(ccc1)C(C(=O)CCC)NC(=O)CCc2ccccc2 -MOL_01_027486,c1ccoc1CNC(=O)NC(=O)CCc2n(CC=C)c(nn2)COc3ccccc3-c4ccccc4 -MOL_01_027487,Cc1cccc(c1)CCCC(=O)N(C)CC(=O)Nc2cccc(c23)cccc3 -MOL_01_027488,NC(N)CCCC(=N)c1ccc(cc1)CN(C2=N)C(=N)N=C(C2=3)C=CC3 -MOL_01_027489,NCc1cnc(N)nc1C2CCC(C2)Cc3cccc(c3)C(=O)O -MOL_01_027490,CCC1=NC=C(C1=2)N=C(N2)c(c(c3)CN)cc(c34)CCC4 -MOL_01_027491,NCc1c(C=O)c(C)nc(c12)c(CN)ccc2 -MOL_01_027492,CC(C)C(O)NCCc(c1)c(C)nc(c12)c(C)ccc2C -MOL_01_027493,c1cccc(c12)C(=N)N(CCCC)C(=N)C2CC(=N)c3ccccc3 -MOL_01_027494,Cc1ccc(c(Cl)c1)NC(N)CCCN(C(N)CO2)c(c23)cc(C)cc3 -MOL_01_027495,NCc1cnc(cc1C)C(O)CC2CCC(CC2)CC(O)c(c3C)ccc(c34)C(=O)OC4 -MOL_01_027496,Clc1ccccc1CNC(=N)C2CCN(CC2)C(=N)N3CCCc(c34)cccc4 -MOL_01_027497,Cc1cccc(c1)-n2ccnc2CCC(N)Nc3ccccc3C(F)(F)F -MOL_01_027498,NC(N)C(CC1)C(=N)c(c12)ccc(n2)NNc3cccc(Cl)c3 -MOL_01_027499,C=C(C)c1ccc(C)c(c12)nc(cc2)C(=C)N3NCC(C)CN3 -MOL_01_027500,CC(N)N1CCC(CC1)c2cccnc2CC3CCN(CC3)c4ncccc4Cl -MOL_01_027501,CC(N)c1c(N)c(CCN)cc(-c2ccc(Cl)cc2)c1-c3ccc(Cl)cc3 -MOL_01_027502,NC1CN(CCC1)c2ncc(CN)c(=N)n2Cc3ccccc3CN -MOL_01_027503,CCC(=O)c1cnc(nc1C(F)(F)F)N2CCCN(CC2)Cc3ccccc3 -MOL_01_027504,CC(=O)CC(CN)c1ccc(Cl)c(c1)CCc2ccnc(c23)cccc3 -MOL_01_027505,CCCc1ccc(cc1CN)CNC(O)n(c2O)cc(c23)nccc3 -MOL_01_027506,CC(C)CCc1nccc(n1)-c2c(CN)cccc2CN -MOL_01_027507,NCc(cc1)cc(c12)nc(cc2C)CCC(=O)Nc3ccc(Cl)cn3 -MOL_01_027508,COc1ccc(c(c1)OC)CN2CCNC(=N)C2CC(=N)N(C3)CCc(c34)cccc4 -MOL_01_027509,CN(C)CCNC(=O)c1cccc(c1)Nc(n2)ncc(c23)ccc4ccc([nH]3)cc4 -MOL_01_027510,c1cccc(c12)CCC2N(CCC)C(N)Nc3cccc(c3)CN -MOL_01_027511,Fc1ccc(cc1)N2C(=N)C(CC2=N)N3CC=C(CC3)c4ccc(F)cc4 -MOL_01_027512,NCc1cc(N)c(Cl)cc1C(=O)NC(CC(N)NC2)C23CCC3 -MOL_01_027513,O=C1C/C(C(=O)N1)=C/c2ccc(cc2)OCCN3CCN(CC3)c4ccccn4 -MOL_01_027514,CC(C)c1cn(cn1)CC(=O)NC2CC(=O)N(C2)CCc3ccccc3 -MOL_01_027515,CCNc(c1)ccc(c12)c3c(cccc3NN)NC2c4ccc(Cl)cc4 -MOL_01_027516,OCCCCC(N)CC(C)c1ccc(cc1)-c2ccncc2 -MOL_01_027517,NCc1c(C)nn(c12)c(C)cc(n2)Cc3ccccc3 -MOL_01_027518,c1ccccc1CCc2n(C)c(nn2)-c(c3)ccc(c34)non4 -MOL_01_027519,C1CCCCN1CCC(C)(C)NC(N)c2ccc(N3CCCC3)c(n2)CCC4CC4 -MOL_01_027520,c1cc(F)cc(c12)OC(N)(N)CC2CC(=N)Cc3cccc(c34)ccc(c4)N -MOL_01_027521,Nc1cc(ccc1)C2=NN(C(=C)NC)C(=C)Cc(c23)cc4c(c3)CCC4 -MOL_01_027522,NOc1c(F)cc(cc1)CCc2n(CCON)c(nn2)-c3ccncc3 -MOL_01_027523,CCC(=O)c1ccc(N)c(c1)CC(=O)Cn(c2=O)cnc(c23)cccc3 -MOL_01_027524,Cc1nnc(N)c(c12)c(N)n(n2)-c3cccc(Cl)c3 -MOL_01_027525,CCn1cnc(c12)cc(cc2)C(N)Nc3cccc(C)c3C -MOL_01_027526,CC(C)(C)c1ccc(Cl)c(c12)C3C(C(=N2)C(O)O)CCC3 -MOL_01_027527,Fc1ccc(cc1)CCC(C)(N)C(=O)Nc2ccc(F)c(C(F)(F)F)c2 -MOL_01_027528,FC1(F)CCC(C)(CC1)CNc2cc(F)c(cc2C3CC3)C(=N)NCCCNN -MOL_01_027529,CCc1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)C)-c3ccccc3 -MOL_01_027530,NCNc1ccc(cc1)-c2cc(CCc3ccccn3)nc(n2)N4CCCCC4 -MOL_01_027531,CCC(C(=N)N)Nc1nc(c(F)cc1F)Nc2cc(C)cc(c2)-c3cccc(c3)CN -MOL_01_027532,NOc1ccccc1N2CCN(CC2)CCCCn3cnc(c3)-c4ccccc4 -MOL_01_027533,c1cc(C)nc(c12)c(cc(c2)CC)NC(C)CCN -MOL_01_027534,NCc1nc(CN)ccc1C(C)N(C2)CCCc(c23)ccc(c3)CN4CCCC(C4)CCN -MOL_01_027535,Fc1ccc(cc1F)NC(=O)c2cc(ccc2F)CN3CCN(CC3)c4ccccn4 -MOL_01_027536,CC(=O)Nc1ccc(cc1)Cc2c(CN)cc(c(c23)nccc3)NC(C)CCCN -MOL_01_027537,c1cccc(c12)c(N)nnc2Cc3ccc(C)c(c3)C(N)N4CCN(CC4)C(N)C5CCCC5 -MOL_01_027538,OC12CC3CC(C2)C(C(C3)C1)NC(=N)c4cnc(N)nc4-c5ccccc5 -MOL_01_027539,C1CC1Cn2ccc(c(c2=N)CN)N3CCC(CC3)c4ccccc4F -MOL_01_027540,c1ccccc1-n2ccc(C)c(c2=N)-c(c3)ccc(c34)nc(N)nc4 -MOL_01_027541,CCNc(n1)nc(C)c(c12)cnn2C -MOL_01_027542,CN(C)c(c1)ccc(c12)C(C(=C(C2)N)CN)c3cccc(CN)c3CN -MOL_01_027543,Cc1ccc(cc1)C(C=C(C(=O)C2)C(=O)CC)c(c23)cc4c(c3)OCO4 -MOL_01_027544,CCc1ccc(cn1)-c2ccc(nc2)CCC(C3)CCc(n34)nc(c4)NC -MOL_01_027545,c1cccc(c12)CCN2C(N)C(C)Cc3ccc(Cl)cc3C(N)N -MOL_01_027546,Cc1cccnc1-c2ccc(cc2)N(Cc3cccnc3)C(=N)c4ccc(N)cc4N -MOL_01_027547,CCN1C(=O)C(C1OC(=O)C)NC(=O)Cc2ccccc2 -MOL_01_027548,CN1C(O)=C(O)N(C)c(c12)cc(cc2)CN3CCCC3C(O)NCc4cccnc4 -MOL_01_027549,Clc1ccccc1C2=C(C(O)NC2O)Nc3cccc(Cl)c3 -MOL_01_027550,c1cccc(c12)CN(C)C(C2)N3CCC(CC3)C(N)c4cccnc4F -MOL_01_027551,CN(C)c1cccc(c1)C(=N)NCc(c2)ccc(c23)N(CC3)C(=N)CN -MOL_01_027552,NOc1ccc(cc1)N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C=CC4 -MOL_01_027553,c1cc(Cl)cc(c12)C(=N)CC(C(=N)C2C)Nc3cccc(c34)cccc4 -MOL_01_027554,CCc1cccc(c1)-c2cc(CN)ccc2CCC(c3ccc(CN)cc3)c4cncn4C -MOL_01_027555,CCC(=C1)C(N)C=C(C12CN)c3c(C2)cccc3F -MOL_01_027556,c1ccccc1CC(C(=O)NC)NC(=O)C(N=2)=CC(C23)=CC=C3Cl -MOL_01_027557,C=c1n(C)c(=O)c(c(=O)n1C)=Cc2cc(C)n(c2C)-c3ccncc3 -MOL_01_027558,Fc1cc(ccc1)NCC(=O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_027559,C1NCNCN1c(nc2N)cc(c23)c(-c4ccccc4)c(cc3)CNc5ccccc5 -MOL_01_027560,Cc1coc(c12)cc3c(c2)c(C)c(c(o3)=N)CCC(=N)NCc4ccccn4 -MOL_01_027561,NCCCNc1ccc(c2c13)n(CCN)nc2c4c(c3=C)c(C)ccc4C -MOL_01_027562,CCc(c(O)c1)cc(c12)CC(C(C2)O)Cc3ccccc3 -MOL_01_027563,C1CCCN1c(n2)c(CN)cc(c23)ccc(N)c3N -MOL_01_027564,c1ccnc(c12)CCCC2NC(O)CCc3ccc(Cl)cc3Cl -MOL_01_027565,Cc1ccc(cc1)-c2cnc(N)c(n2)C(=N)NC3CCCC3 -MOL_01_027566,c1nccc(c12)C(O)c3c(C2O)c(NCCN4CCCC4)ccc3NCCN5CCCC5 -MOL_01_027567,Cc1cccc(c1)-c(nc(c23)CCCC3)nc2CCC(N)N4CCCCC4 -MOL_01_027568,CCCC(N)NCC1CCN(CC1)CCCC(N)c2cc(Cl)c(N)cc2CC -MOL_01_027569,c1ccncc1CC(N)c(c2)ccc(c23)ncn3Cc4ccccc4 -MOL_01_027570,Cn1c(=O)n(C)c(c12)cc(cc2)CCc(c3)ccc(c34)[nH][nH][nH][nH]4 -MOL_01_027571,NC(N)(N)C(=C)Cc1cccc(c12)NCC2Cc3ccc(CC)cc3 -MOL_01_027572,CCc1ccc(cc1)OC(C)c2nnc(n2C)CCC(=O)Nc3ncccc3C -MOL_01_027573,Cc1cc(ON)c(cc1N)C(N)CC2CCC(CC2)Cc3ccccc3 -MOL_01_027574,c1cc(Cl)cc(c12)cc3c(n2)C(O)c4c(C3O)cccc4 -MOL_01_027575,Cc(c1)ccc(c12)n3c(cc2CN)nc(c3)C(O)c4ccccc4 -MOL_01_027576,CC(=O)Cc1cncn1CCCC2(c3ccc(CN)cc3)c(cccc4)c4c(c25)cccc5 -MOL_01_027577,NCC1(CC1)n2cnc(c2)C(C3CCCCC3)NC(=O)C4CCOCC4 -MOL_01_027578,CCN(CC)CCCNc1nc(N)nc(C)c1C(N)Nc2cccc(c23)cc4c(c3)cccc4 -MOL_01_027579,Clc1cc(CN)c(cc1C)NC(O)CCC(O)CCc(n2)nc(C)c(c23)cccc3 -MOL_01_027580,NCc(c1)ccc(C2=N)c1CCC23CCCCN3CCc4ccc(F)cc4 -MOL_01_027581,Nc(n1)ccc(c12)c(Cl)c(N)c(n2)C3CCCCC3 -MOL_01_027582,Fc1ccccc1C(c(c23)cc(Cl)cc2)=CCC(N)C3CCO -MOL_01_027583,Fc1ccc(cc1)-c2nnc(n2C)CCC(=O)NC(=O)CN3CCCC3=O -MOL_01_027584,CC(C)(C1)CNc(c12)c(ccc2)CNC(CCCCCN)C(N)N3CCC(CCF)CC3 -MOL_01_027585,CC(C)Nc1cccc(c1)C(=N)C2CCCN(C2)C(=N)c(c3)ccc(c34)NCN4 -MOL_01_027586,Cc1ncc(C(=O)CN)n1C(CC)c2cccc(Cl)c2 -MOL_01_027587,CCc1ccc(cc1CC)-c2nc(C(F)(F)F)ncc2C(N)NC3CC3 -MOL_01_027588,c1cccc(c12)c(cc(n2)C)C(N)CCC(N)CCc3ccc(F)cc3 -MOL_01_027589,NCc1ccc(cc1CN)CNC(=C)CN(C(=C)N2)C(=C)C2(c3ccccc3)c4ccccc4 -MOL_01_027590,Oc(n1)nc(O)n(c12)ncc2-c3ccc(C(F)(F)F)cc3 -MOL_01_027591,CCCC(=O)C1(C)CN(C(=O)CN)CC1c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_027592,Cc1ccc(cc1)CCc(n2)ccc(c23)C(N)N(CC3)C4CCCC4 -MOL_01_027593,c1ccccc1CC(C(=O)NC)NC(=O)C(N=2)=CC(C23)=CC(Cl)=C3 -MOL_01_027594,C1CNCCC1NC(=N)c2cccc(c2)NCC(N)CN(C3)CCc(c34)cccc4 -MOL_01_027595,c1cccc(n12)c(cc(c2=N)C(C)=N)CN3CCC(CC3)c4ccc(CN)cc4 -MOL_01_027596,C=C1NCCN1c2cc(nc(n2)N)N3CCN(C)CC3 -MOL_01_027597,c1cccc(c12)c(cc(n2)C)C(=O)CCC(=O)N3CCC(C)CC3 -MOL_01_027598,NCC(N)NC(=O)c1ccccc1NC(=O)C(C2)CCc(c23)cccc3 -MOL_01_027599,CCC(C)Cc1ccc(cc1CF)-c2cc(C(=O)C)nc(n2)C -MOL_01_027600,Cc1ccc(c(n1)N)Cn2c(C(C)O)cc(c2C)CCO -MOL_01_027601,c1ccccc1-n2nc(cc2CC(C)C)CNCc3cccc(c34)cccn4 -MOL_01_027602,c1cccc(c12)c(nn(C)c2=N)CC(=N)Nc3cccc(c3)-c4ccc(CN)cc4 -MOL_01_027603,C1CC1NC(=O)c2ccc(cc2)CN(C(CCC3(F)F)C(=O)NC3)Cc4ccc(Cl)cc4 -MOL_01_027604,CC(C)CC1(N)CCN(CC1)C(=N)c2ccc(cc2)NCc3ccc(N)c(c34)nccn4 -MOL_01_027605,Cc1nc(O)cc(c12)nc(nn2)Oc3ccc(nn3)CO -MOL_01_027606,c1ccc(c12)c(N)n(CN)c3c2ccc(c3)-c4ccc(F)cc4 -MOL_01_027607,Clc1ccc(cc1)CNC2CCCn(c23)nc(c3)NCc4ccccc4 -MOL_01_027608,Cc1ccc(cc1)CN2C=CNC(=N)C2CC(=N)NC3CCCc(c34)cc(cc4)CN5CCCCC5 -MOL_01_027609,Cc1cc(C)c(c(C)c1)-n2nnnc2CCC(=O)Nc3ccc(cc3Cl)OCCCN(C)C -MOL_01_027610,CCOc1ccccc1NC(=O)C2CCCN(C2)Cc3ccc(cc3)-n4cnnn4 -MOL_01_027611,CC(O)c1cccc(c12)c(ncn2)CCC3C=CC=C(C3)CCO -MOL_01_027612,C1COCCN1c2ccc(C)c(c2)N3CCN(C(N)C3N)Cc4ccc(F)cc4Cl -MOL_01_027613,Oc(c1)cc(C)c(c12)c(cc(c2)C)CCC(O)Nc3ccccc3C(N)O -MOL_01_027614,n1cccc(c12)ccc(c2C)C(=O)NCc3ccc(Cl)cc3 -MOL_01_027615,c1cccn(c12)nc3c2ncnc3CC4CCCCCC4 -MOL_01_027616,Cc(c1)ccn(c12)c(c(n2)C)C(N)CCCCc3ccc(F)cc3 -MOL_01_027617,CCCN(C(C)C)c1cc(ncn1)C(O)Nc2ccc(CN)cc2C -MOL_01_027618,CC1CCN(C1)C(O)c2ccccc2-c3ccc(c(F)c3)-c4cnc(N)nc4 -MOL_01_027619,C1CNCC1CCC(=N)Cn(c2=N)nc(c(c23)cccc3)-c4ccccc4 -MOL_01_027620,NCc1ccc(cc1)-c2ccc(cn2)C(N)c3ccc(CN)cc3 -MOL_01_027621,CCCC(O)c1c(CN)c(C)nc(C)c1N(C)C -MOL_01_027622,NCc1nc(ccc1)-c2ccc(C)c(c2)CNC(CN34)C(CC3)CC4 -MOL_01_027623,NCc1cccc(c1)CCC2CCCN(C2)CC(N)N3CCc(c34)cccc4 -MOL_01_027624,c1ccoc1-c2cc(C(C)(C)C)nc(c2CN)CCCN -MOL_01_027625,c1cccc(c12)nc(n(C)c2=N)CCC(=N)C3CCCc(c34)cccc4 -MOL_01_027626,C1CCCC(C)=C1C(=O)Nc2cc(ccc2C)C(=O)NCc3cc(CN)ccc3CN -MOL_01_027627,c1cccnc1-c2ncc(CN)c(n2)N3CCCC3 -MOL_01_027628,CC(C)(C)C(=O)Nc(n1)cn(c12)cc(N)cc2 -MOL_01_027629,N=C1CCC(N1CC(N)N)c2ccncc2-c3ccc(CN)cc3 -MOL_01_027630,NCc1cc(ccc1)C(N=C2C)=C(C2=3)C=C(C3)C(=O)CCCCCCN -MOL_01_027631,Cc1ccc(cc1)CC(C2)CCn(c23)c(cn3)C(N)C(C)C -MOL_01_027632,c1ccccc1C2CC(C)Cc(c23)c(ccc3)NC(=N)CCNC(N)N -MOL_01_027633,Clc1ccc(cc1Cl)N2C(N)C(=C(Cl)C2N)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_027634,CCNC(O)Nc1cc(Nc2ccc(C)cc2)c(cn1)C(O)Nc3cccnc3 -MOL_01_027635,CNc(c1)c(NC)cc(c12)CC(N)C(C2)NCCC3c(cccc4)c4c(c35)cccc5 -MOL_01_027636,Cc1occc1-c2nnc(n2C)CCC(=O)c3ccc(Cl)cc3 -MOL_01_027637,c1ccccc1CCC(N)CC2(CCCCC2)C(N)Cc(c3)ccc(c34)OCCO4 -MOL_01_027638,Nc1cccnc1N2CCN(CC2)C(O)c3ccc(cn3)C(O)NCc4ccccn4 -MOL_01_027639,c1ccccc1C(CN)c2c(Cl)cnc(c2N)Cc3ccccc3N -MOL_01_027640,Nc1ccc(cc1)C(=N)CC(CC2)=C(N)c(n23)ccc3N -MOL_01_027641,Cc(n1)cc(N)c(c12)cc(CN)cc2NCCCCCCC(CN)CN -MOL_01_027642,c1ccc(F)c(c12)nc(N)c(C)c2C(N)NCc3ccc(F)cc3 -MOL_01_027643,Fc1ccccc1C(c(c2O)ccc(c23)cccn3)Cc4cccnc4 -MOL_01_027644,Fc1ccc(cc1)-c2cc(nn2C(N)N)CC(C3)Cc(c34)cccc4 -MOL_01_027645,Cc1cc(N)cc(c12)cc(C)c(C(C)N)c2OCCCN3CCN(CC3)c4cnccn4 -MOL_01_027646,Fc1ccccc1C(=O)NCc2nnc(n2C)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_027647,FNc(n1)cn(c12)CC(CC2)CCc3ccc(cc3)-c4ccnc(F)c4 -MOL_01_027648,Cc(c1)ccc(c12)c(CC(N)C(N)N)nc3c2c(N)ncc3 -MOL_01_027649,C1CNCCN1CC(N)CNC(c2ccccc2)c3ccccc3 -MOL_01_027650,c1cccn1-c(cc(N)c2)c(n23)ncc3CCCCc4ccccc4 -MOL_01_027651,CNc(c1)ccc(c12)ccc(N)c2C(c3ccccn3)N4CCC(C)CC4 -MOL_01_027652,C1CCCc(c12)c(CC(N)N)nc(F)c2CN -MOL_01_027653,C1CCc(n12)ncc(c2=O)C(=O)CCCc3ccccc3 -MOL_01_027654,Cc1cc(CN)cc(c12)NCC(C2C)c3ccc(CN)cc3 -MOL_01_027655,Cc1cccnc1-n2ccnc2C(O)Cc3ccccc3N -MOL_01_027656,c1cc(Cl)cc(c12)c(CN)c3n2cc(cc3N)Cc4ccc(Cl)cc4 -MOL_01_027657,C1CCc(n12)nc(C)c2C(=O)Nc3ccccc3 -MOL_01_027658,c1cccc(c12)CCN(C2)CC(C)CCc3cccc(c3)NC(N)c4ccnn4C -MOL_01_027659,C1CCCC1CNC(=N)C(c(c23)cccc3)N(C2=N)Cc4cccc(c4)CN -MOL_01_027660,CCn1c(O)cc(=O)nc1CCC(=O)Nc2ccc(C)cc2 -MOL_01_027661,COc1ccc(cc1)CCC(O)c2nc(nc(O)c2O)-c3ccc(F)cc3 -MOL_01_027662,CCCC(O)c(n1)cc(n12)c3c(nc2C)cccc3 -MOL_01_027663,CCc1cccc(CC)c1NC2=CC(N)C(N)c(c23)cccc3 -MOL_01_027664,CCc1cc(CC)c(cc1Cl)CC(=O)C(=C(N)C(=O)C2)C23CCC(C(=O)N)CC3 -MOL_01_027665,CCc1cc(Cl)cnc1C2CCN(CC2)C(=O)c3ccnn3C -MOL_01_027666,CC(C)Cn(c1)ccc(c12)nc(n2)C(O)Cc3ccccn3 -MOL_01_027667,NCc(c1)c(CN)cc(c12)CCN(C2)CCc3ccc(cc3)NC(N)c(n4)ccc(c45)cccc5 -MOL_01_027668,C1COCCC1c(n2)ncc(COC3)c2C34CCC(C4)CC5CC5 -MOL_01_027669,CCNC(N)Nc1cc(ccc1C)-c(c2)cc(CN)c(c23)CCCN(C3)C(N)C4CC4 -MOL_01_027670,O=C(N1)Cc(c12)c(ccc2F)CCCNc(c3)ccc(c34)cccc4 -MOL_01_027671,Fc1ccccc1C(=O)NC(C)c2nnc(n2C)CCC(=O)NC3CCCCC3 -MOL_01_027672,c1cccc(c12)c(=N)n(CCCC)c3c2cc(cc3)C(=N)N4CCCC4 -MOL_01_027673,Fc1ccc(cc1)C(=N)c2cc(-c3ccc(F)cc3)cnc2CCCN -MOL_01_027674,n1cccnc1NC(=O)c2cccnc2C(O)C(c3ccccc3)c4ccccc4 -MOL_01_027675,c1ccccc1CC(N)C(=N)NC(C(=N)N2)N=C(c(c23)cccc3)c4ccccc4 -MOL_01_027676,Nc1cncc(N)c1-c(c2)ccc(c23)cc(nc3)CC(N)C4CC4 -MOL_01_027677,NCc1ccc(cc1)-c2c(N)nn(c2CN)-c3ccccc3 -MOL_01_027678,Nc1cc(F)ccc1NC(=N)c2ccc(cc2)NC(=N)C3(CC3)c4ccccc4 -MOL_01_027679,COc1ccc(cc1)-c2cc(OC)cc(c2)C(C)CCc3c(C)nc(N)nc3N -MOL_01_027680,CCCCCCCNC(O)c1cc(n(n1)CN(C)O)-c2ccc(C)cc2 -MOL_01_027681,CC(C)NC(=N)NC1CC(C)(C)Nc(c12)ccc(F)c2 -MOL_01_027682,CCNC1CCN(CC1)Cc(c2)ccc(c23)Cc4c(N3)nccn4 -MOL_01_027683,NC(N)Cc(c1C)c(N)nc(c12)cc(c(Cl)c2)CN -MOL_01_027684,Cc1cc(N)nc(c12)ccc(c2)CC(=N)CCN -MOL_01_027685,n1cccc(c12)cccc2C(O)N(C)CC(O)Nc3ccc(Cl)c(C(F)(F)F)c3 -MOL_01_027686,c1cccc(c12)c(O)c3c(c2)ccc4n3cc(n4)C(O)NCCN5CCCCC5 -MOL_01_027687,CC(=O)C(N)Cc1nc(c(F)cc1F)Cc2cccc(c2)-c3cccc(c3)CN -MOL_01_027688,CN1CCC(=CC1)c2c(NC)cc(NC)c(c2NC)/C=C/C(=N)c3ccc(Cl)cc3Cl -MOL_01_027689,NCCC1CCCN(C1)Cc2ccccc2-c3ccc(c(F)c3)-c4cnc(N)c(F)c4 -MOL_01_027690,c1cccc(c12)nc(n2C)C(O)Cc3nc(cccc4)c4n(c35)ccc5 -MOL_01_027691,c1ncncc1N(C2O)CCC23CCCN(C3)Cc4cccnc4 -MOL_01_027692,C1CCCCN1C2=NC(=O)C(C2)CC(=O)Nc3cccc(c3)C(=O)N4CCCC(C(F)(F)F)C4 -MOL_01_027693,Oc1ccc(cc1)-c2nnc(n2C)CCC(N)c3ccccc3 -MOL_01_027694,CCCCCC1C=C(C(N)N)C(c(c2)ccc(c23)CNC3)N1Cc4ccc(C)cc4 -MOL_01_027695,c1ccnc(c12)cccc2NC(N)Nc3cccc(c3)CC(F)(F)F -MOL_01_027696,OCC(C)(C)N1CCN(CC1)C(=O)OC2(CC2)C3COCC(N3)c4cc(F)cc(F)c4 -MOL_01_027697,CN1CN=C(N)c(c12)nc(cn2)-c3ccccc3 -MOL_01_027698,c1cncnc1N2CCN(CC2)C(=N)c3ccc(CN)c(c3)CCc4ccccc4 -MOL_01_027699,CC(C)c1c(O)nc(N)c(CN)c1Cc2nccn2C -MOL_01_027700,CCc1ccc(cc1)CNC(=O)c(c2)ccc(c23)CCC(=O)N3C -MOL_01_027701,c1cncc2c1nc(c2c(c34)c(=O)n(C)c3=O)c5c4c6c(n5)cc7c(c6)CCC7 -MOL_01_027702,C1CCCN1C(=N)C(N)C(C(=N)N(C)C)c2ccc(cc2)-c3ccc(F)cc3 -MOL_01_027703,O=C(N=1)N=c(c12)nccc2Oc3ccc(cc3)NC(=O)Nc4cc(F)cc(c4)N5CCOCC5 -MOL_01_027704,Cc1ccc(cc1)CNNC(O)c2ccc(nc2C)-c3cccc(Cl)c3 -MOL_01_027705,C1CNCCC1C(O)c2ccc(cc2)-c3ccnc(n3)Nc4ccccc4 -MOL_01_027706,CCc1ccc(cc1Cl)NC(O)Cn2nnc(c2N)C(O)NCc3ccccc3 -MOL_01_027707,Clc1cc(C)c(cc1C)CN2C=CNC(=O)C2CC(=O)NC(C3(C)C)CCNC3 -MOL_01_027708,Cc1cc(CN)cc(C)c1Cc2nc(ncc2C)NC3CCN(CC3)c4cccc(c4)C(=O)N -MOL_01_027709,Clc(c1)ccc(c12)nc(c(N)c2C)C(=O)NCCc3ccccc3 -MOL_01_027710,CNc(c1O)cnc(n12)nc(n2)-c3ccncc3 -MOL_01_027711,Cc(c1)ccc(c12)cc(c(n2)C)CC(CC(C)C)C(=O)C3CCNN3 -MOL_01_027712,NCc(c1)c(CN)cc(c12)ncnc2Cc3ccccc3-c4ccccc4 -MOL_01_027713,c1cccc(c12)C(=C(C(C)C)C(N)C2N)Cc3ccccc3 -MOL_01_027714,CC(C)(C)C1CCC(CC1)N(C2=O)CCCc(c23)ncnc3N -MOL_01_027715,COc1cccc(c1)CCC(=O)c(c2=O)c(O)nc(n23)cccc3 -MOL_01_027716,c1ccncc1C(NC2=N)=NC23CCN(CC3)CC(N)c4ccccc4 -MOL_01_027717,CCc1ccccc1CN(C)C(=O)c(c2)ccc(c23)CCC(=O)N3 -MOL_01_027718,CC(C)C1CCC(N)N1c2ccnc(n2)NCC3CCCCC3 -MOL_01_027719,C1CC(=O)Nc(c12)cc(C)c(c2)CN(C)CC(=O)Nc3ccc(CN)cc3 -MOL_01_027720,CC(C)(C)c1ccc(cn1)Oc(c2)ccc(c23)nc(cc3)C(O)NC4COC4 -MOL_01_027721,c1ccccc1N(C)CCCN(C)CC(O)CCc(c2)ccc(c23)nc(O)cc3 -MOL_01_027722,CC(N)Nc1cccc(c1)NCC(N)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_027723,NCc(cc1)cc(c12)C(=CC(C)(C)C2N)NC(N)c3ccccn3 -MOL_01_027724,Nc1ncc(cc1)CCc2c(ccnc2C)-c3ccc(nc3)C(O)NCCON -MOL_01_027725,CCCn1c(C)cc(c1C)C(=O)CCc2ccc(C)nc2NC -MOL_01_027726,COc1ncccc1-c2ccc(cc2)C(C)NCc3cn(C)nc3C(F)(F)F -MOL_01_027727,Cc1ccc(cc1)C(N)CCc2nc(N)c(C)c(n2)Cc3c(C)cccc3F -MOL_01_027728,Cc1ccc(c(Cl)c1)CNC(=O)C2CCc(c23)nccc3 -MOL_01_027729,Fc1cc(ccc1)-c2ccc(cc2)C(C)Nc3cncc(n3)N4C(=O)CCC4C(C)C -MOL_01_027730,O=C(O)c1cccc(c1)-n2ccnc2CCc3ccccc3Cl -MOL_01_027731,Nc1ccc(c(F)c1)Nc2cc(F)cc(c2C(N)O)Oc3cccc(c3)NCN4CCCC4 -MOL_01_027732,Clc1cc(ccc1)NC(O)c2cccnc2NCc3ccncc3 -MOL_01_027733,c1ccccc1C(=O)NCc2nnc(n2CC)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_027734,Clc1ccc(cc1)CNc2cc(C(=N)NCC)ccc2Nc3cc(Cl)cc(c3)CC(=N)N -MOL_01_027735,Nc1ccccc1C(=N)n2nnc(c23)cc(cc3)-c4ccccc4 -MOL_01_027736,NCc1ccccc1C(C)NC(=O)c2ccccc2CCC(=O)N3CCCC3 -MOL_01_027737,CN1CCCC1CCNC(=O)c2cccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_027738,Cc1ccc(cc1)C2C=C(Cc(n23)ncc3)c4ccc(ON)cc4 -MOL_01_027739,Clc1ccccc1CC(N)N(C)Cc2cccc(c2)-c3ccncc3 -MOL_01_027740,CC(=N)CCC(CC1)=C(C(=N)N)N(C12)C(=N)C2NC(=N)CCc3ccccc3 -MOL_01_027741,C=c1n(C)c(=O)c(c(=O)n1C)=Cc2cc(C)n(c2C)C3CCCC3 -MOL_01_027742,Cc1ccc(cc1)CN(C2N)CCCn(c23)nc(c3)C(N)NCCc4ccc(CN)c(c4)CN -MOL_01_027743,NC1CCCCN1C(=N)Cn2cc(CN)c(c23)cccc3 -MOL_01_027744,N=C(O)c1cc(N)ccc1Cc2ccc(nc2)-c3c(F)ccc(F)c3F -MOL_01_027745,c1ccnc(c12)CCCC2C(O)NCc3ccc(F)cc3Cl -MOL_01_027746,CNC(=O)CCc(c1)ccc(c12)nccc2CC3(C(=O)C)CCC3 -MOL_01_027747,CCCCNC(=O)c1cc(ccc1CC(C)C)NC(=O)CN2CCCCC2 -MOL_01_027748,Clc1ccccc1Cn2nc(C)c(c2C)C(=O)CCC(=O)N3CC(C)CC(C)C3 -MOL_01_027749,Nc(n1)cc(N)c(c12)c(O)nc(n2)CCC(=O)N3CCCCC3 -MOL_01_027750,Nc1nn(CN)cc1C(=N)NCCN2CCCc(c23)cccc3 -MOL_01_027751,NCCCc1n(C)c(nn1)-c(c2)ccc(c23)CCC3 -MOL_01_027752,Cn1ccnc1CN(C2)CC(C23)CCC(=O)N3Cc4cccc(N)c4 -MOL_01_027753,c1ccccc1CC(CC)NC(=O)CCc2cccc(F)c2C(=O)N3CCCCC3 -MOL_01_027754,NCCc(cc(n1)C)c(c12)cc(C)c(c2)CC(O)C(C)(C)CF -MOL_01_027755,c1ccnc(c12)ccc(c2)C(=N)N(CC3)CCC34CC(=N)N(C4)c5ccc(C(F)(F)F)cc5 -MOL_01_027756,NCCCc1ccc(cc1)NC(=N)c2cccnc2NCc3ccncc3 -MOL_01_027757,CN1CCN(CC1)c2cc(ccc2CC)NC(O)Nc3cccc(c3)-c4ccncc4 -MOL_01_027758,O=c1n(C)ncc(c12)C(CCCC2)C(=O)CCCC(O3)COc(c34)cccc4 -MOL_01_027759,CC(C)(C)c1cc(N)c(nc1OC)C(O)NCC(C)(O)C(C)(C)C -MOL_01_027760,c1ccccc1C2(CN)CCN(C2)Cc(c3)ccc(c34)ONO4 -MOL_01_027761,CCOC(=O)c1cnc(nc1N)CCC(=O)Nc2cc(C)ccc2C -MOL_01_027762,NCc1c(Cl)cc(cc1)CC(C2(C)C)C(C)(C)C2NC(=O)c3cnn(c3)CCO -MOL_01_027763,NCc1ccc(nc1)CCC2CCCN2C(=O)CC(N)Cc3cc(F)c(F)cc3F -MOL_01_027764,CCCCCc1ccccc1-c2cn(cc2CN)-c3ccc(C(C)N)cc3 -MOL_01_027765,Cc1cccc(c1)CCC(=N)N2N=C(Nc3ccc(CN)cc3)CC2c4ccccc4 -MOL_01_027766,NCCC(CCN)Nc1nc(CC)c(nc1CC)Cc2cc(C)ccn2 -MOL_01_027767,NCc1ccc(Cl)cc1NC(N)Nc2cc(Cl)nc(c23)cccc3 -MOL_01_027768,CCCc1c(C(=O)CC)cc(N)c(c1N)NC(=O)C -MOL_01_027769,c1ccccc1C2C(=N)N(CC2)CC(N)Cn3c(ccc(F)c4)c4c(c35)cc(F)cc5 -MOL_01_027770,C=CCc1c(O)c(=NC=N2)c2c(c1=3)N=CN3 -MOL_01_027771,Cc1ccc(cc1)NC(=O)c2c(C)nn(C)c2Cc3cccc(Cl)c3 -MOL_01_027772,c12cnc(CN)c(n1)CCCCCCc3c(NC(=O)N2)cc(Cl)cc3 -MOL_01_027773,CC(N)CCc1ccc(cc1)C(N)N(CC2)CCC23CCN(C3)c4ccncc4 -MOL_01_027774,Cc1ccc(NF)cc1NC(=O)CCc2ncnc(c23)cccc3 -MOL_01_027775,CNc1c(Cl)nc(CCN)n1Cc2ccc(cc2)-c3ccccc3C(C)=N -MOL_01_027776,NOc(c1)ccc(c12)c3n(cn2)c4c(c3NF)cccn4 -MOL_01_027777,NCC(N)C(C)Cc1ccc(cc1)-c2nccc(n2)-c3ccc(F)cc3 -MOL_01_027778,Cc1cccc(c1)CC(=O)COc2ccccc2CO -MOL_01_027779,CC(C)(C)C(=C1)C(N)C(C(C)(C)C)=CC1(C)c2cc(N)n(c2N)-c3ccccc3 -MOL_01_027780,c1ccccc1C(=NC(C)C(N)N2C)c(c23)cc(cc3)CCCCCC(N)N -MOL_01_027781,c1ccccc1C2CN(C(=O)C)CCC2NCc3cc(CC(F)(F)F)ccc3CN -MOL_01_027782,C1CCCCN1CCCNC(=O)c(c2)ccc(c23)Cc4c(C(=O)N3)cccc4 -MOL_01_027783,CC1CCC(CC1)c2ccc(nn2)-c3ccc(CN)cc3 -MOL_01_027784,CC(=O)C(C)NC(=O)NC(C(=O)C)CCCCNC(=O)CCc1ccccc1 -MOL_01_027785,CCCC(N)Cc(c1)ccc(c12)c3c(C2N)cc4c(c3N)cccc4 -MOL_01_027786,c1cccc(c12)CCN(C2)C(=N)C(C)CC(=N)c3cccc(c3)N(C)C -MOL_01_027787,c1cccc(c12)c(nnc2N)Cc3ccc(F)c(c3)C(N)N(C4)CC45CNC5 -MOL_01_027788,CCc(c1N)cnc(n12)c(cn2)Cc3ccccc3 -MOL_01_027789,NCc1ccccc1N2CCC(CC2)CNCC(C3)CCc(c34)cccc4 -MOL_01_027790,CCc1cc(C(C)N)ccc1CCC(C)CN2CCN(CC2)c3ccccn3 -MOL_01_027791,CC(C)(C)CC(=O)NC(C(=O)CC(C)(C)C)c(c1)ccc(c12)COC2 -MOL_01_027792,Nc1ccc(cc1)C(N)N2CCC(CC2)N(C(N)CC3)c(c34)cccc4 -MOL_01_027793,c1cc(Cl)cc(c12)nc(C)c(n2)C(=O)C(C)c(c3)ccc(c34)OCO4 -MOL_01_027794,CCC(N)c1cccc(c1)NC(N)c(n2)cnc(c23)C(C)(C)CCC3(C)C -MOL_01_027795,c1cccc(c12)cc(C(C)N)n2CCCCc3ccc(Cl)c(N)c3 -MOL_01_027796,Cc1cccc(c1C)CCc(n2)cc(CN)n(c23)nc(c3)CO -MOL_01_027797,NCc1ccc(CN)c(c1)Nc2c(CN)cnc(c23)ccc(Cl)c3 -MOL_01_027798,NCc(c1)ccc(c12)nc3c(c2)C=NN=C(C3)Nc4ccccc4 -MOL_01_027799,COCC(C)(C)NC(O)c1c(N)cccc1C(O)Nc2cc(C(F)(F)F)ccc2OC -MOL_01_027800,CC(C)c1cccc(C(O)O)c1CCCn2cnc(c23)C(O)CC=CC3 -MOL_01_027801,c1ccncc1CCC(NC=O)CCN2CCN(CC2)c3ccc(Cl)cn3 -MOL_01_027802,Nc1ccccc1Nc(n2)cc(N)c(c23)ccc(c3)CO -MOL_01_027803,c1ccccc1-n2c(=O)/c([nH]c2=C)=C/c3cccc(c3O)OCC -MOL_01_027804,O=C1CC(=O)CC12c3c(OCC2)c4c(cc3)cccc4 -MOL_01_027805,O1CCOc(c12)ccc(c2)NC(=O)Cn3cnc(n3)-c4ccccc4F -MOL_01_027806,CNCc1n(CCC)nc(c12)cc(cc2)C(=O)NCc(c3)ccc(c34)CNC4 -MOL_01_027807,NCc1ccccc1N2CCN(CC2)CCCC3=CCCc(c34)cccc4CN -MOL_01_027808,C1CCC1CC(N)Nc(c2)ccc(c23)CCc4c(cccc4)N3C(N)Cn5cccc5 -MOL_01_027809,Cc1ccc(cc1C)NC(=O)CCN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_027810,Nc1ccc(N)c(c1)Cc2nc(nc(c23)cccc3)-c4ccncc4 -MOL_01_027811,Cc1ccc(cc1N(C)O)C(O)N2CCN(CC2)c3ccccn3 -MOL_01_027812,CCC(C)Cc1ncccc1-c2ccc(c(F)c2)-c3cnc(N)cn3 -MOL_01_027813,CCCC(=O)c1cc(CN)c(CN)cc1NC(=O)c2ccccc2CN -MOL_01_027814,Oc1cc(O)c(cc1N)C2C=CC(O)C2 -MOL_01_027815,CCc1ccc(cc1)CCC(=O)CCNC(=O)c2ccc(Cl)cc2 -MOL_01_027816,CCCC(O)c(n1)nc(C)c(c12)cc3c(n2)cc(F)cc3 -MOL_01_027817,Fc1ccc(cc1)CCCc2n(CC)c(nn2)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_027818,c1cccc(c12)ccc(N)c2C(=N)N(C3)CC(C34)CN(C4)c5nccc(n5)N -MOL_01_027819,O=C(O)CCC(N=1)=Cc(c12)cc=3c(c2)N=C(C3)CCC(=O)O -MOL_01_027820,Nc1ccc(n12)nc(cc2O)CCC(O)CCC(O)c3ccc(F)cc3 -MOL_01_027821,c1ccccc1CN(C)CC(c2ccccc2)CCN(CC3)CCC34c5c(C(N4)N)cccc5 -MOL_01_027822,NCCCNCc1ccc(cc1)C(N)N2CCC(CC2)N(C(N)CC3)c(c34)cccc4 -MOL_01_027823,Cc1cccc(c12)N(CCC2)C(O)NCCc3cnn(C)c3 -MOL_01_027824,CC(C)Cc1cccnc1C(N)N2CCC(C2)c3ccccc3CN -MOL_01_027825,CCOC(O)c(c1)ccc(c12)ncc(C(O)OCC)c2CCCC3CCOCC3 -MOL_01_027826,C1CCCCN1C(O)c2ccc(N)cc2NCc3cccc(c34)nccn4 -MOL_01_027827,n1cccc(c12)c(Cl)cc(c2C)C(c3ccc(CN)cc3)NC(=N)c4cccc(c4)CN -MOL_01_027828,CCOC(O)c1cnn(-c2ccccc2)c1NC(O)C(C)(C)C(C)(C)C(C)(C)C -MOL_01_027829,NCCn(c(=O)n1)cc(c12)Cc3c(N2)cccc3 -MOL_01_027830,O=C(C1)CCNC(=O)C(NC(=O)CC(C)(C)C)C(C)CC(=O)c(c12)cccc2 -MOL_01_027831,NCc1cc(ccc1)CC(C)CC(N(C)CC2)c(c23)c(CN)c4c(c3)CCC4 -MOL_01_027832,CC(=O)Nc1ccc(cc1)NCc2cc(ccc2C)-c3nnc(O)c(c34)cccc4 -MOL_01_027833,Cc1cc(C)cc(c1)NC(=O)c2cccnc2CCc3ccnc(c3)NC(=O)CNCCN(C)C -MOL_01_027834,NC(N1)Cc(c12)cc(cc2)CCCN3CCC(CC3)Cc4ccccc4 -MOL_01_027835,Cc1ccc(cc1)CN(C(=N)c(c23)cccc3)C2C(=N)NCC4CCCC4 -MOL_01_027836,Nc1ccc(cc1N)NC(=O)c2ccc(N)c(c2)NC(C3)=NC(C34)CCC4 -MOL_01_027837,NOc1ccc(cc1)C(=O)NCc2nnc(n2-c3ccccc3)CCC(=O)Nc4ccccc4 -MOL_01_027838,COc1ccc(cc1NC)C(=N)COC(=N)c2ccc(cc2)N(C3=N)C(=N)C(C34)CC=CC4 -MOL_01_027839,n1cccc(c12)c(ccc2C(N)N)C3CCCC(C3)c4ccccc4 -MOL_01_027840,c1ccccc1C2C(CC(=C)CN)C(=Cc(c23)ccc(c3)C)c4cc(CN)c(CN)c(c4)CN -MOL_01_027841,c1ccccc1C2C(CN)=C(N)CC(=C23)CC(CC3=O)c4ccccc4 -MOL_01_027842,Cc1nn(C)c(C)c1NCc2ccc(nc2)NC(CO)c3ccccc3 -MOL_01_027843,CN1CCN(CC1)c2ccc(cn2)Cc3ccc(nc3)CNC(=O)c(c4)cnc(n45)ncc5 -MOL_01_027844,c1cccc(c12)nc(N)c3n2cc(c3)-c4ccc(Cl)cc4 -MOL_01_027845,COc1ccc(cc1OC)-c2nc(c(o2)C)CC(C)CC(=O)N3CCN(C)CC3 -MOL_01_027846,C=c1[nH]c(=O)/c([nH]1)=C/c2ccc(o2)-c(c3)ccc(c34)C(=O)OC4 -MOL_01_027847,c1ccccc1C2=C(c(c23)c(N)n(c3N)C(N)(N)N)c4ccccc4 -MOL_01_027848,Fc1cc(F)ccc1C(C)(Cn2cncn2)C(N)CCCCCCCCN -MOL_01_027849,c1cccc(c12)C(N)C(C)(C)C(N)N2c3ccccc3 -MOL_01_027850,c1ncnn1CC2(C(CCC)CC(=O)C2)c3ccc(Cl)cc3Cl -MOL_01_027851,c1ccncc1C(c2cccnc2)C(N)c3cccnc3-c4cc(F)cc(F)c4 -MOL_01_027852,NC(O)c1ccc(cc1)-c(c2)ccc(c23)cc(nc3O)N4CCCCC4 -MOL_01_027853,CCNC(=N)c(c1N)cnc(c12)cc(cc2)C3CCC(=N)N3 -MOL_01_027854,CCCC(=O)Nc1c[n+]([O-])cc(c12)cc(cc2)CCc3cccc(Cl)c3 -MOL_01_027855,c1ccnc(c12)CCC2C(N)NCc3c(Cl)cc(Cl)cc3C4CC4 -MOL_01_027856,c1ccccc1C2(N(C)N)C(C)CN(CC2)C(CC3)CCC3(CN)c4ccc(F)cc4 -MOL_01_027857,CCCn1nc(N)c(c1N)CNC2CCC(N)(N)c(c23)cccc3 -MOL_01_027858,c1cccc(c12)c3c(cc2)c(nn3C)C(N)Nc4ccc(F)c(Cl)c4 -MOL_01_027859,Nc1cccn(c12)c(=O)c(O)c(c2)C(=O)CCc3ccc(F)cc3 -MOL_01_027860,Cc1ccc(cc1)CN2CCNC(=N)C2CC(=N)NC3CCCc(c34)cc(cc4)CN5CCCCC5 -MOL_01_027861,c1ccccc1C2(C(=N)NCC)CC2CN(CC3)CCC3(N)c4ccc(Cl)cc4 -MOL_01_027862,c1cccc(c12)c(cc(n2)ON)C(N)C3CCC(CC3)c4ccccc4 -MOL_01_027863,CCCc1ccc(cc1)C(=O)C(C)CC(=O)CN(C(=O)N2)C(=O)C2(C)C 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-MOL_01_027880,CC(C)(C)C1(C)CC(CC(C)C)=NN1C(=O)c2ccncc2 -MOL_01_027881,Cc1ccc(c(C)c1)NC(N)CCCN(C(N)CC2)c(c23)cc(C)cc3 -MOL_01_027882,Clc1ccc(cc1)N(C)c2ccc(nc2)C(N)c3ccc(c(c3)C(N)N)C(N)Cc4ccccc4 -MOL_01_027883,c1cccc(c12)c3c(cc2)c(nn3C)C(=N)NCCc4ccc(Cl)cc4 -MOL_01_027884,N1CNc(c12)cc(C(=N)NC)c(c2NC)-c3ccccc3C=N -MOL_01_027885,Clc1ccc(cc1Cl)C(C(=O)CC(=O)CC)NC2NNNN2 -MOL_01_027886,c1cccnc1NC(N)Cn2c(N)cc(c23)cc(cc3)C(N)c4ccccc4Cl -MOL_01_027887,c1ccccc1N(C(=N)CC)C2CCN(CC2)C(=N)C(N)C(C3)Cc(c34)cccc4 -MOL_01_027888,CNc1cccc(c1)NC(=O)CCc2ncnc(c23)cccc3 -MOL_01_027889,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)-c3ccc(cc3)Cn4ccnn4 -MOL_01_027890,c1cccc(c12)cc(C(N)N(C)C(N)CN)nc2-c3ccccc3N -MOL_01_027891,CCc(c1)ccc(c12)nccc2CCNC(N)c3ccc(CC(F)(F)F)cc3 -MOL_01_027892,n1nnnc(c12)CCC2C(=N)c3nnc(Cl)nc3Cl -MOL_01_027893,CC(=O)N1CCN(CC1)Cc(c2)ccc(c23)Cc4c(N3)nccn4 -MOL_01_027894,CCN(CC)C(=N)c(c1)ccc(c12)n(CCCC(=N)O)c(=N)c3c2cccc3 -MOL_01_027895,C1CCCN1Cc2cc(ccc2OCC)NC(=O)CN3CCN(CC3)c4ccccc4C -MOL_01_027896,C1CNCC12N(CCC)Cc3c(NC2O)cccc3 -MOL_01_027897,Cc1ccc(cc1)Cc2c(O)c(C)nc(c23)cnc(n3)ON -MOL_01_027898,c1ccc(c2c13)CCN(C2CNC3=N)C(=N)c4ccc(Cl)cc4 -MOL_01_027899,c1cccc(c12)NC(CC)(CC)N(C2N)c3ccc(cc3)NC(C)N -MOL_01_027900,CC(=N)c1ccc(cc1)NC(=N)CCC(=N)N2CC(C)Oc(c23)ccc(c3)C -MOL_01_027901,c1cccc(c12)nc(nc2C)CCc3nnc(n3C)CCNC(=O)c4ccccc4F -MOL_01_027902,NC1CCC(N)C1c2nc(N)c(C)c(n2)CCCCCCCCCN -MOL_01_027903,c1ccccc1CN2CC(C)C(CC2)NC(=O)c3cc(Cl)c(N)cc3CN -MOL_01_027904,CCCC(N)C1CCN(CC1)CC(N)N2CCc(c23)cccc3 -MOL_01_027905,C1CCCCC1(C(C)O)CNC(O)c(c2C)nc(CN)c(c23)cc(cc3)Cc4ccccc4 -MOL_01_027906,Nc1nnc(n12)c3c(cccc3)c(n2)Cc4ccc(Cl)cc4Cl -MOL_01_027907,CCCC(=C)CC(c(c12)nnnn2)N(C1)c3nnnnn3 -MOL_01_027908,CC(C)(C)C(=O)CCc1n(CC)c(cc1)-c2ccccc2CN -MOL_01_027909,c1cncc(c12)nc(C)n2Cc3ccc(cc3)CN(C)c4cccc(N)c4 -MOL_01_027910,COc1ccc(cc1)C(=O)NCc2nnc(n2-c3ccccc3)CCC(=O)Nc4ccccc4 -MOL_01_027911,Cn1ccc(c12)ncnc2Cc3ccc(cc3)NC(=N)Cc4ccccc4 -MOL_01_027912,c1cccc(c12)c(N)c(c(c2C)CC(N)CC)-c3ccc(C)cc3 -MOL_01_027913,Cc1ccc(nc1)CNCC2(F)CCN(CC2)C(=N)C(C=3Cl)=CC(C34)=CC=C4 -MOL_01_027914,c1cncn1CC(F)(c2ccccc2)C(N)c3ccc(Cl)cc3Cl -MOL_01_027915,Clc1ccc(cc1)N(C)Cc2cccc(c2)C(=O)Nc3ccc(cn3)C(=O)N -MOL_01_027916,CNc1cc(ccc1N)C2CC(NN2)CNc3cc(C)ccc3C(C)C -MOL_01_027917,CCCc1cccc(c1N)C(N)CC2CCC(C)CC2 -MOL_01_027918,NCC(C=1)=Cc(c12)c(N)c3=C4C(=Cc3c2)CCCC4 -MOL_01_027919,FC(F)(F)C(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)C3CCCCC3 -MOL_01_027920,CNCn1nc(N)c(c1N)CCC2CCC(N)(N)c(c23)cccc3 -MOL_01_027921,Cc1ccc(cc1)CCC(C)CNCCc2ccc(cc2)NC(=O)Cc3ncccn3 -MOL_01_027922,Nc1ccc(cn1)Cc2ccc(cc2)-c3ccc(cn3)C(O)(C(F)(F)F)C(F)(F)F -MOL_01_027923,Cn1c(=O)c(=O)n(C)c(c12)cc(cc2)CC3CCc(c34)cccc4 -MOL_01_027924,O=C1CCCCN1c2ccc(nn2)N3CCN(CC3)Cc4ccccc4Cl -MOL_01_027925,Cc1nnc(n12)c(ccc2)CCc3cnc(CN)cc3C=O -MOL_01_027926,Fc1cccc(F)c1-n2c(=O)n(nc2N)CCCc3ccccc3 -MOL_01_027927,N=C1CC=CC(CN)C1CCCCc2ccnc(c23)cc(Cl)cc3 -MOL_01_027928,CNc1cc(cc(c1)C(C)(C)C)C(=O)NCCCc2ccncc2 -MOL_01_027929,O=C(O)C(C)(C)CCc1ccc(cc1CN)-c2cc(O)nc(n2)N -MOL_01_027930,NCc1ccc(cc1)Cn2cncc2CNCc3ccc(CN)cc3-c4cccc(c45)NNN5 -MOL_01_027931,CCCCn1ccnc1C2CCN(CC2)C(N)C(C)c3ccc(F)cc3 -MOL_01_027932,Clc1ccc(cc1)CN2C(=C)N(C(C2)=N)c3ccc(ON)c(Cl)c3 -MOL_01_027933,CNC(O)c1ccc(cc1)-c2ccc(cn2)CCC3CCN(CC3)C(O)CC(C)C -MOL_01_027934,Cc1cccc(c1C)N2CCN(CC2)C(N)c3cccc(c3)N4CCCC4N -MOL_01_027935,NCc(c1)c(CN)cc(c12)nc(cc2N)CCc3ccc(Cl)cc3Cl -MOL_01_027936,CC(C)c1cc(CN)c(CN)cc1Cc2cnc(N)nc2NC(=O)CC(C)(C)C -MOL_01_027937,c1nccc(c12)C(O)c3c(C2O)c(NCCN(C)C)ccc3NCCN(C)C -MOL_01_027938,CCc(c1)ccc(c12)n3c(c2)ncc(c3N)C(N)NCc4cccc(Cl)c4 -MOL_01_027939,CC(C)(C)c(c1)ccc(c12)nnc3n2ncc3N -MOL_01_027940,CCc1ccc(cc1)-c2cc(C(C)(C)C)nc(n2)CC3NNNN3 -MOL_01_027941,CNc1ncc(cn1)C(O)N(CC2)CCC23Nc4c(NC3O)cccc4 -MOL_01_027942,Cc1ccccc1CNc2ccc(C)c(c2C)CC(=O)NCc3ccc(N)nc3C -MOL_01_027943,CCc1ccc(cc1)-c2nc(nc(O)c2CN)CCc3ccccc3 -MOL_01_027944,NCc1ccc(c(Cl)c1)NC(=O)Cc2ccccc2C(=O)N -MOL_01_027945,CNN1CN(N(C)N(C)N1C)c2ccc(Cl)c(c2)Cc(c3)ccc(c34)CNC4 -MOL_01_027946,C1CCCC1NC(=O)C(C)N(C2CCCCC2)C(=O)Cn3cnc(n3)-c4ccccc4Cl -MOL_01_027947,Fc1ccccc1-c2nc(O)c(C)c(n2)C(O)NCc3ccc(F)cc3 -MOL_01_027948,C1CCCc(c12)n(nc2C(C)(C)C)CC(O)NC3CCCC3 -MOL_01_027949,CC1CN(CC1C)C(=O)CNC(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_027950,Clc1ccccc1CCc(nc(C)c2CN)c(c23)CN(CC3)Cc4ccccc4 -MOL_01_027951,c1cc(Cl)cc(c12)ccc(c2)CNC3C(N)N(CC3)c4ccc(cc4F)-c5cccnc5 -MOL_01_027952,c1ccccc1CN2C(=N)CCc(c23)ccc(c3)NCCCCN4CCNCC4 -MOL_01_027953,Cc1ccccc1C(CC(=O)C)CC(=O)c2cncc(c2)-c3ccccc3F -MOL_01_027954,CNC(=O)Nc1c(N)nc(n12)c(ccc2)CCc3ccccc3 -MOL_01_027955,c1cccc(c12)n(CC)c3c2cc(cc3)C(N)C(N)Nc4ccc(CN)c(c4)CN -MOL_01_027956,CC(C)c1ccccc1NC(N)c(c2N)cnc(c23)cccc3 -MOL_01_027957,CCc1cc(Cl)cc(Cl)c1CC(=O)NC2NOc(c23)nccc3 -MOL_01_027958,NCc(c1)c(C(=C)N)cc(c12)c(ccn2)Cc(c3)ccc(c34)c(ccc4)C(=C)NC5CC5 -MOL_01_027959,Nc1cc(ccn1)-c2cc(F)ccc2Oc3cc(F)c(cc3Cl)CNc4ccncn4 -MOL_01_027960,CCCC(=O)C1=C(NC(=O)NC1C)CCC(=O)CNC(=O)c2ccc(Cl)cc2Cl -MOL_01_027961,CCOc(c1)ccc(c12)nc(c(c2)CN)CCCN -MOL_01_027962,CCCc(c1)ccc(c12)nc(N)c(c2)CN3CCC(CC3)n4cnnc4 -MOL_01_027963,CCCCn1c(C)nnc1-c2cc(Cl)ccc2CN -MOL_01_027964,CN(C)CNCc1ccc(Cl)cc1C(=O)Nc(c2)ccc(c23)C=NC3 -MOL_01_027965,Cc1ccc(c(F)c1)NC(=O)Cn2ncc(c(Cl)c2=O)CCC(=O)N -MOL_01_027966,CCC1(CC)CC(=O)C(C1=O)CC(=O)OCC(=O)Cc2cc(OC)ccc2OC -MOL_01_027967,c1cccc(c12)cccc2C(=N)N(Cc(c34)cccc4)C(C3)CNc5ccc(NN)cc5 -MOL_01_027968,c1ccccc1-c2nnc(n2C)CCC(=O)N3CCCCC3 -MOL_01_027969,c1cnc(n12)CC(N)CC2c3ccccc3Cl -MOL_01_027970,NCc(cc1)cc(C(N)N2)c1CCC23CCN(C3)Cc4ccccc4 -MOL_01_027971,CCNc1ccccc1CNCc2c(C(=N)N)c(C)n(c2C)Cc3ccc(C)cc3 -MOL_01_027972,CC(C)CNC(O)Nc1cc(nn1C)C(O)N2CCC(CC2)c3ccc(CN)cc3 -MOL_01_027973,COCN(O)C(O)NNc1c(C)n(C)c(c12)cccc2 -MOL_01_027974,O=C(C=1)N=c(c12)ncc(c2)C3(C)CCC(CC3)NC(=O)CCc4ccccc4 -MOL_01_027975,CC(C)Cn1c(C)c(C)nc1CCC(=O)NC2(CN)CCCC2 -MOL_01_027976,c1ccoc1CNC(=O)CCc2n(-c3ccc(C)cc3)c(nn2)CNc4ccc(F)cc4 -MOL_01_027977,COC(=O)c1ncn(c1C(=O)OC)CC(=O)Cc2cccc(Cl)c2 -MOL_01_027978,Cc1ccc(cc1)CN2C=CNC(=N)C2CC(=N)NC3CCCc(c34)cc(cc4)CN(C)C -MOL_01_027979,NCc1cccc(CN)c1C2CCCCC(=C)C2Cc3cccc(c3)-c4cccnc4 -MOL_01_027980,Clc1ccc(cc1C)NCc(c(F)c2)cc(c23)CCC(=O)N3 -MOL_01_027981,c1cccnc1C(=N)Cc(c2)ccc(c23)n(cc3)C(=N)c4ccccc4CN -MOL_01_027982,CC(C=1)=Nc(c12)ccc3c2=CC(=N3)NC(=O)c4ccno4 -MOL_01_027983,c1ccn(c12)c(O)cc(n2)CN(C)CC(O)Nc3ccc(Cl)c(C(F)(F)F)c3 -MOL_01_027984,Cc1ccc(cc1)CCC(=O)C2NNC(C23)=Nc4c(C3)cccc4 -MOL_01_027985,NC(N=1)=NC(=O)C(C12)=NC=C2Cc3ccc(cc3)CCc4ccccc4 -MOL_01_027986,c1ccccc1N(CN)c2cncc(c2)CCC3CCCN3 -MOL_01_027987,n1cccc(c12)ccc(c2C)C(=N)N(CCCN)CC3CCCN(C3)C(C4)Cc(c45)cccc5 -MOL_01_027988,NCCCc(c1)ccc(c12)nnc3n2ncc3N -MOL_01_027989,C1CCCCC1NC(=O)CCC(=O)c2ccc(Cl)c(c2)CN3CCCCC3 -MOL_01_027990,NCc1ccc(cc1)Nc2ncc(F)c(n2)Cc3cccc(c34)CCC4N -MOL_01_027991,NCCCc1cn(cn1)CCCC(C(N)CO2)c(c23)cccc3 -MOL_01_027992,Cc(c1)ccc(c12)cc(N)c3c2n(nc3)CC(N)N4CCN(CC4)c5ccc(F)cc5 -MOL_01_027993,CNc1ccccc1CC2=CCC(N)C2Cc3ccc(ON)cc3 -MOL_01_027994,CC(O)c(c1)c(C)nc(c12)cc3c(c2O)cc(cc3)CCN(C)C -MOL_01_027995,c1ccccc1-n2nc(ccc2=N)-c3ccc(cc3)CCC4CCCC4N -MOL_01_027996,Cc1cccn(c12)c(=O)nc(n2)CCC(=O)NCc3ccc(F)cc3 -MOL_01_027997,CCc1ccc(cc1)-c2ncnn2-c3cc(CN)c(CN)c(c3)CN -MOL_01_027998,CC(C)(C)c1cccc(c1)C(N)Cc2cccc(c2)Oc3ccnc(c34)nc(cn4)N -MOL_01_027999,CCNCc1ccc(cc1)CN2C(N)CCCC2c3c(CN)cccc3CN -MOL_01_028000,Nc(c1)cc(N)c(c12)nc(cc2C)CC3CCC(CC3)C4CCCC4O -MOL_01_028001,FC(F)Oc1ccccc1CC(=O)COC(=O)CCc(n2)nc(O)c(c23)cccc3 -MOL_01_028002,Cn1ncc(c1C)C(=O)CC2CCCOc(c23)cc(Cl)cc3 -MOL_01_028003,c1ccccc1NC(=O)c2ccc(c(c2)CN3CCCCC3)NCCN4CCCCC4 -MOL_01_028004,CCOCCc1ccc(c(C)c1)OCCN(C(C)N)C(N)c2c(Cl)c(C)nn2C -MOL_01_028005,c1ccncc1Nc2n(CC(C)C)c(cc2)-c3ccoc3 -MOL_01_028006,Cc1ncccc1Cc2ncnc(c2C)CC(CC34)CC(CC3)N4C(=N)CCC5CC5 -MOL_01_028007,NCc1cccc(c1)CCC(N)n(c2N)cc(c23)nccc3 -MOL_01_028008,CC(N)Cc1ccc(cc1)NC(N)c(c2)ccc(c23)ccn3Cc4cccc(Cl)c4 -MOL_01_028009,CC(=O)c1cccc(c1)C2C(CN)=C(N)Cc(c23)cc(cc3)N(C)C -MOL_01_028010,c1ccc(C)c(c12)nc(C)c(c2)CN(C(=N)N3CCCC3)CCc4ccc(CN)c(c4)CN -MOL_01_028011,CN(C)c1cc(ccn1)C(N)NC2(CCCCC2)c3cccc(F)c3 -MOL_01_028012,COc1ccc(cc1)Cn2cnc(c2N)C(O)Nc3cc(OC)ccc3OC -MOL_01_028013,Cc1ccccc1C(N)c(c2)ccc(c23)n(c(c3)N)CC(N)Nc4cccc(Cl)c4 -MOL_01_028014,Cc1cccc(Cl)c1Cn2ccc(n2)NC(O)c3cn(C)nc3C -MOL_01_028015,Cc1ncc(C(N)O)n1C(CN)c2ccc(Cl)c(Cl)c2 -MOL_01_028016,C1CNCCN1c2cc(ccc2CN)CNCC3(CC3)c4cccc(c45)cc(F)cc5 -MOL_01_028017,NCc(c1)ccc(c12)C=C(CC2)CNC(C3)CCc(n34)ncn4 -MOL_01_028018,Fc1ccc(cc1)CN(C(C)C)CC(=O)NCC2CN(CCO2)c3ccc(C(F)(F)F)cn3 -MOL_01_028019,CC(C)c(n1)ncc(COC2)c1C23CCC(C3)CCON -MOL_01_028020,CC(=O)Cc(c1)ccc(c12)CC(=O)CC2(C(C)(C)C)NNC3CC3 -MOL_01_028021,CNc(c1)ccc(c12)c3c(c(n2)N)CCC=N3 -MOL_01_028022,c1ccccc1Nc2cc(C)nn2C(N)c3ccc(Cl)cc3 -MOL_01_028023,CCC(O)CCNC(O)c1nnn(c1C(C)(C)C)-c2ccccc2 -MOL_01_028024,Cc(n1)c(C)nc(c12)nc(N)nc2CCc3ccccc3 -MOL_01_028025,c1ncnn1-c2cc(CC)c(cc2)Nc3ncc(C(C)(C)C)c(n3)NC -MOL_01_028026,CC(C)CCCC(N)c1cc(N)cc(c12)cc3c(n2)cccc3 -MOL_01_028027,c1ccc(C)c(c12)C(O)C(=C(C)C2O)CCN(O)CNCN(C)NN3CCCCC3 -MOL_01_028028,CCc1ncccc1C(N)N2CCCC(C2)Nc3ccc(CN)c(c3)CN -MOL_01_028029,c1ccncc1C(N)CCC(N)N2CCc(c23)cccc3 -MOL_01_028030,CC1=CC(O)N(C1O)n2c(O)nnc2-c3ccccc3 -MOL_01_028031,O=C(N1)CCc(c12)ccc(c2)CN(c3ccc(F)cc3)Cc4cccnc4 -MOL_01_028032,Clc1ccccc1NC(=N)c2cccc(c23)c4c(C3=N)cccc4 -MOL_01_028033,c1cccnc1NC(=N)c2cc(C)n(n2)-c3cccc(c3)C(C)(C)C -MOL_01_028034,NCCCC1CCCCN1C(=O)c2ccc(c(c2)CN)CC3CCN(C(=O)N)CC3 -MOL_01_028035,CNc1cc(cc(NC)c1N)CN(CCC2)CC2(CN)Cc3cccc(Cl)c3 -MOL_01_028036,c1ccc(N)c(c12)nc(C)c(c2)CN(CC3CCNC3)C(=N)NC4CCCCC4 -MOL_01_028037,CCCC1CCCN1c2nccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_028038,C1CCCCN1c(c2)ccc(c23)nc(nc3C)-c4cccc(c4)CN -MOL_01_028039,Cc1cccc(c1)CN(C2N)c(c3Cc(c24)cccc4)cc(cc3)C(N)NCCCN5CCCC5 -MOL_01_028040,c1cc(F)cc(c12)nc(N)c(c2)C(=O)C3CCC(CC3)CC(N)O -MOL_01_028041,Cc1cc(N)nc(c12)ccc(c2)CC(=O)CCc3ccccc3CCN -MOL_01_028042,Cc1cc(C)cc(c1)COc2ccnc(c2)CC(O)C(N=3)=NC(C34)=CC=C4 -MOL_01_028043,NCC(O)C1=C(C)CC(C)=C(C(O)CN)C1c2ccc(Cl)c(C(F)(F)F)c2 -MOL_01_028044,c1ccccc1CCN(CCC)C(=O)C2CC(C(=O)C)=CCC2NC(=O)C -MOL_01_028045,Fc1ccc(cc1)CN2C(=N)C(C)N(C(=N)C3CCCC3)C/C=C\C2c4ccc(CN)cc4 -MOL_01_028046,c1cccc(C(CN)C2N)c1Cc(c23)nccc3 -MOL_01_028047,n1ncccc1NCC2CCCN(C2)Cc3cccc(c34)CCCC4 -MOL_01_028048,c1ccccc1NC(N)c2ccc(nc2)C(N)N(C3)CCc(c34)cccc4 -MOL_01_028049,CCCc1ccc(cc1)C(N)Nc2ccc(cc2)C(N)CCc(n3)cc(N)n(c34)c(C)cc4 -MOL_01_028050,c1ccnc(c12)nc(nc2O)-c3ccc(C(F)(F)F)cc3 -MOL_01_028051,Nc(c1)ccc(c12)nc(C)c(c2)CC(CCCN)C(=N)c3cccc(Cl)c3 -MOL_01_028052,c1ccccc1N(C(N)CC)C2CCN(CC2)CCC(C(N)N(C)C)(c3ccccc3)c4ccccc4 -MOL_01_028053,FC(F)(F)c1cc(ccc1)NC(N)n2ccc(c23)cc(cc3)Cc4cc(CO)ncn4 -MOL_01_028054,Nc1c(N)cccc1N(C)c2cc(Cl)nc(n2)CCC(O)O -MOL_01_028055,C1CC1n2c(C)c(cc2C)C(=O)CCC(=O)c3ccc(Cl)c(c3)CN -MOL_01_028056,CNc1cccc(NC)c1-c2ccccc2NC(=N)N3CCCc(c34)cc(C)cc4 -MOL_01_028057,CC(C)c1cccc(c1Cl)CC(N)NC2CCc(c23)nccc3 -MOL_01_028058,c1cc(Cl)cc(c12)c3n(cn2)c4c(c3NF)cccn4 -MOL_01_028059,CC1CC=C(CC1)c(c2)ccc(c23)CCCN(C3=N)Cc4ncccn4 -MOL_01_028060,CC(C)(C)c1ccc(cc1)CC(=N)NCC(N(CC2)CCC2(N)C(F)(F)F)Cc3ccccc3 -MOL_01_028061,CCc1ccc(cc1)N2CC(CC2=O)CCc3ccc(cc3F)N4CC(CC4=O)CNC(=O)C -MOL_01_028062,C1OCc(c12)c3c(cc2)cc(C(F)N)c(C(F)C)c3-c(c4)ccc(c45)COC5 -MOL_01_028063,CC(=N)c1ccc(cc1)Cn(c2=N)cnc(c23)ccc(c3)CCCn4ccnc4 -MOL_01_028064,CCC(C)(C)C(N)Cc1nc(N)ncc1Oc2cc(N)c(OC)cc2C(C)C -MOL_01_028065,CC(N)C1CCC(CC1)C(N)c(n2C)cc(c23)cc(Cl)cc3 -MOL_01_028066,NCNc(c1)ccc(c12)CC(C)(C)CC2NC(N)Nc3cccc(c3)CN -MOL_01_028067,NCc1ccc(cc1)Cc(n2)c(C(=O)CCC)nc(c23)cc(C(F)(F)F)cc3 -MOL_01_028068,c1cccc(c12)C(=N)N(C2=N)C(CC(=N)NCC)c3ccc(OC)c(c3)OC -MOL_01_028069,CCc1cccc(c1)-c2c(CN)c(N)cc(c23)c4c(cc3)n(C)cc4 -MOL_01_028070,Clc1ccccc1CCC(=N)Cn2cccc2C(=N)c3ccccc3N -MOL_01_028071,Clc(c1)ccc(c12)cc(N)n2CC(N)N3CCC(CC3)C(N)Nc4ccccc4 -MOL_01_028072,Cn1ccc(c12)ccc3c2c4c(c(=C)[nH]c4=C)c5c3n(c6c5ccc(c6)CN)CCN7CCCCC7 -MOL_01_028073,NCc(c1)c(CN)cc(c12)nc(nc2C)N(C)CCCNC(=O)C3CCCC3 -MOL_01_028074,Cc(n1)c(C)nc(c12)cc(c(c2)C(C)(C)C)-n3ccc(C=O)c3 -MOL_01_028075,Cc1ncccc1C(=O)CCC(=O)NC2CCCc(c23)cccc3 -MOL_01_028076,CN1CCN(CC1)c(c2C)c(N)cc(c23)cc(O)cc3OCCNC(N)OC(C)(C)C -MOL_01_028077,N=C1N(C)C(=N)N(C)C(=N)C12C(c3ccc(Cl)cc3)CC(=N)CC2c4ccc(Cl)cc4 -MOL_01_028078,CC(C)N(C1(C)C)C(=N)N(C1)c2ccc(cn2)CCc3ccccc3 -MOL_01_028079,c1cnccc1CNc2ncn(C)c2C(O)Nc3cc(C(C)(C)C)cc(c3)C(C)(C)C -MOL_01_028080,O1COc(c12)ccc(c2)/C=C3\CC(=C)N(C3=O)CCC(=O)Nc4ccc(C(=O)O)cc4 -MOL_01_028081,Cc1cccc(c1C)NC(N)CCC(N)Cc2cccc(C(F)(F)F)c2 -MOL_01_028082,NOc(c1)c(ON)cc(c12)ccn2-c3ccc(C(=O)C)c(c3)Cc4ccccc4 -MOL_01_028083,Cc(n1)cc(C)n(c12)c(nn2)CCC(=O)Nc3cc(C)on3 -MOL_01_028084,Cc1ccccc1-c2nc(Cc3ccccc3)c(o2)NCCCN4CCOCC4 -MOL_01_028085,CCCc1ccccc1NC(O)CCCc(n2)nc(C)c(c23)cccc3 -MOL_01_028086,COc1ccccc1CNC(=Nc(c23)ccnc3)N(C2)c4ccccc4 -MOL_01_028087,COc1ccc(cc1)C2=C(C(=O)N=N2)c3cc(OC)c(OC)c(c3)OC -MOL_01_028088,N=c1n(C)cnc(c12)ccc(c2)-c3ccnc(c34)cccc4 -MOL_01_028089,NCc1ccc(cc1)CCNc2cc(nc(n2)CN)-c3ccncc3 -MOL_01_028090,O=C(C)c1cccc(c12)C(N)C(C2=O)C3CCC(CC3)C4CCCCC4 -MOL_01_028091,c1cccc(c12)CC(CC)CN2C(=N)NCc3cccc(c3)CN -MOL_01_028092,CCN1CCCC(C1)Cc(c2)ccc(c23)c(N)ncc3 -MOL_01_028093,CCn1cnc(c1)CN2CCC(CC2)C(=O)Nc(c3)ccc(c34)CCCC4 -MOL_01_028094,CCN(CC)C(=N)C(C=1)=CC(C12)=c3c(=CC2=N)cccc3 -MOL_01_028095,NN(N)NCN1C=CN(C=C1)CNc2cccc(c2)-c3cccc(c34)CN(CC4)Cc5ccccc5 -MOL_01_028096,c1ccccc1-c2c(C)c(C)c(c(C)c2C)NC(N)c3c(O)ncn3C -MOL_01_028097,C1CCCC(=C12)N(O)C(=C(C)N2O)c3ccc(C)cc3 -MOL_01_028098,c1cccc(c12)NC(O)CN2C(O)c3ccc(CC)c(c3)CN4CCCC4 -MOL_01_028099,CC(=O)N(C(=O)C)c1ccc(cc1)CCC(C)(O)C(=O)Nc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_028100,Cc1ccc(cc1)-c(n2C(N)N)nc(=N)c(c23)cccc3 -MOL_01_028101,CC(C)(C)c1cc(C(C)(C)C)n(n1)-c2ccc(cc2)NC(O)c3cnccc3CN -MOL_01_028102,CC(N)c1ccc(cc1)-c2ccnc(c2)CN -MOL_01_028103,c1cccc(c12)nc(C)c(n2)CN3CCCC(C3)C(=N)c4ccc(CN)c(c4)CN -MOL_01_028104,c1ccccc1-c(n2)nc(c(c23)CCC(C)(C)C3)CCC(=O)N4CCCCC4 -MOL_01_028105,COc1ccc(cc1)-n2nnnc2CCC(=O)NC(=O)Nc(c3)ccc(c34)OCCO4 -MOL_01_028106,CN(C)Cc1cncn1CNCC2(c3ccc(CN)cc3)c(cccc4)c4c(c25)cccc5 -MOL_01_028107,NC(O)c1ccccc1CC(N)CCC(C=2)=CC(C23)=c4c(=C3)cc(O)cc4 -MOL_01_028108,Cc1ccc(cc1)-n2ccnc2CCC(=O)Nc3ccccc3F -MOL_01_028109,Cc1noc(C)c1CNc2ccc(cc2)C(=O)N(C3)CCc(c34)cccc4 -MOL_01_028110,CCCc1ncccc1C(=O)CCC(=O)Nc2ncc(C(C)(C)C)cc2Cl -MOL_01_028111,Cc1ccccc1C(N)Nc2ccc(cc2)C(N)N3CCCc(c34)cccc4 -MOL_01_028112,CCCCNc(c1)ccc(c12)C(C(=C(C2)N)CN)c3cccc(Cl)c3 -MOL_01_028113,CCCC(O)c1cnn(CC(C)C)c1NC(O)Nc2ccccc2C -MOL_01_028114,C1CCCCN1c(cc2N)nc(c23)c(ccc3)Cc4ccccc4 -MOL_01_028115,Nc1ccc(cc1)C(C)NC(=C)c2ccc(cc2)CC3CCN(CC3)Cc(c4)ccc(c45)CNC5 -MOL_01_028116,Cc1ccc(cc1)CNC(O)c2nnn(c2N)CC(O)Nc3cc(C)ccc3C -MOL_01_028117,CC(=O)CCCNc1nc(CC)c(NC)c(n1)Nc2cccc(Cl)c2 -MOL_01_028118,c1ccccc1C(O)Nc2cccc(c2)C(O)N3CCCc(c34)cccc4 -MOL_01_028119,CCc1ncc(cn1)CN2CCCCC2C(N)Nc3ccc(nc3)Cc4ccccc4 -MOL_01_028120,CC(C)(C)CC(=O)N(C1)CC1(C)CNCc2ccccc2-c3ccc(c(F)c3)-c4ccc(N)nc4 -MOL_01_028121,CC(=N)c1cccc(c1)NC(=N)CN(C(=N)N2)C(=N)C23CCCCCCC3 -MOL_01_028122,c1ccccc1CC(=N)CCCCCC(=N)Cc(c2)cnc(c23)cccc3 -MOL_01_028123,NCc1ccc(Cl)cc1C(=O)NCCCN2CCN(CC2)c3ccccc3CN -MOL_01_028124,CC(C)(C)NC(=O)C1(C)C(C)=C(C(=O)C1)C(C)c2ccccc2 -MOL_01_028125,NC(=O)c1c(F)cccc1CN2CCC(CC2)Cc3ccc(C(F)(F)F)cc3 -MOL_01_028126,Cc1ccc(c(C)c1)-c2cc(C(C)O)ncn2 -MOL_01_028127,COc1ccc(cc1)-n2c(CCC(=O)O)nnc2COc3cccc(c34)cccn4 -MOL_01_028128,FNc1cc(NF)cc(c1)-n2ccnc2CCc3ccc(Cl)cc3 -MOL_01_028129,c1ccc(C)c(c12)nc(C)c(c2)CCC(=O)c3ccccn3 -MOL_01_028130,CNc1cc(Cl)cc(Cl)c1NC(N)CC2CCc(c23)nccc3 -MOL_01_028131,Cc1cccc(C)c1CN(CCC2)CC2(N)C(=O)NCCN -MOL_01_028132,CCCCc1cc(NC(=O)C)nc(n1)CC(C)c2ccccc2 -MOL_01_028133,CCCC(=O)C1=C(C)N(C(=O)C1CCN)Cc2ccccc2 -MOL_01_028134,COc1cccc(c1)C(=O)NC(C=2)=Nc(c23)ccc4c3=CC(=N4)NCC(C)C -MOL_01_028135,NCc1nc(ccn1)-c2cc(C(C)(C)C)c(cc2)OCCCO -MOL_01_028136,CC(C)C1(C)CC(C)=NN1C(C)Cn2cc(N(C)C)c(n2)CN -MOL_01_028137,CC(=O)COc(c1)ccc(c12)CC(CC2)C(=O)CC(C)(C)C -MOL_01_028138,Cc1ccc(cc1)-c2ccc(N)c(c2)CC(N)CCc3cccc(c3)CN -MOL_01_028139,COc1c(OC)cc(cc1OC)C(OC)CCc2c(C)nc(N)nc2N -MOL_01_028140,CC(C)CCCC(=O)c1cccc(c12)nc3c(n2)c(ON)ccc3 -MOL_01_028141,Cc1ccc(cc1)OCC(C)(O)C(N)Cc2ccc(CO)c(C(F)(F)F)c2 -MOL_01_028142,NC(=O)c1ccc(cc1)CC(=O)CCC(=O)Cn2cnc(c23)cccc3 -MOL_01_028143,CC=1C(C)=CC(C12)=NC(=NC2=O)c3ccc(C)c(F)c3 -MOL_01_028144,C1CC(O)Cc(c12)nc(C)nc2C3CCCCC3 -MOL_01_028145,NC1NCC(CN1)CNCCc2nc(nc(c23)NNN3)-c4ccccc4 -MOL_01_028146,CC(O)c1ncc(c(CO)c1O)C(O)CCCc2ccc(F)cc2 -MOL_01_028147,c1ccccc1CCC(=O)NC(CC(=O)C)C(=O)CCc2cc(C(F)(F)F)nn2-c3ccccc3 -MOL_01_028148,c1ccncc1C(C(=N)NC(C)(C)C)N(C2CC2)C(=N)Cc3cccc(c34)cccc4 -MOL_01_028149,CC(C)(C)CC(N)C1CC=C(CC1)c2cn(cn2)-c3ccccc3F -MOL_01_028150,CCC(=O)c1c(C)cc(C)c(Cl)c1CCc2nccn2Cc3ccccn3 -MOL_01_028151,CCc1ccc(cc1NC)C(=O)Cc2cccc(c23)cccn3 -MOL_01_028152,FC(F)(F)c1cc(ccc1)CC(=N)NNC(=N)C(C2=N)Nc(c23)cccc3 -MOL_01_028153,NCc1cccc(CN)c1C2CCCC(=C)C2Cc3cccc(c3)-c4ccccn4 -MOL_01_028154,c1cccc(c12)C(=N)N(C)c3c(C2)ccc(c3)C(=N)NCc4cccnc4 -MOL_01_028155,Cc1cccc(c1)-n2ccnc2CCC(N)Nc3cccc(c34)cccc4 -MOL_01_028156,CC(=O)Nc1ccc(cc1)C(=O)NCC(=O)CCc2ccccc2F -MOL_01_028157,CCc1cc(CC)c(NC(=O)C)cc1CNCc2ccccc2CC(=O)C -MOL_01_028158,CC(=O)C(C)CCC(=O)C(C1)CCc(c12)nc(C)c3c2cccc3 -MOL_01_028159,CCOc1ncccc1C(O)C2CCC(CC2)Cc(c3)ccc(c34)OCO4 -MOL_01_028160,c1cccc(c12)c(cc(C)c2O)-c(o3)cc(c34)cccc4O -MOL_01_028161,Cc1cccn(c12)cc(n2)CCC(=O)c3ccc(CN)c(c3)CN -MOL_01_028162,CN(C)CCCNc1c(c2c(o3)cccc2)c3cc(c14)oc(=N)cc4C -MOL_01_028163,Nc(c1)ccc(c12)cc(nc2C)-c3cccc(N)c3 -MOL_01_028164,Clc1ccccc1NC(=O)CCc2ncnc(c23)cc(Cl)cc3 -MOL_01_028165,CC(C)(C)C(C)NC1=C(C(N)=C1N)Nc2ccnc(n2)Nc(c3)ccc(c34)cccc4 -MOL_01_028166,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccccc3Cc4nccc(n4)N -MOL_01_028167,C1CCCN1Cc2c(C)n(nc2C)CCC(=O)N3CCN(CC3)c4ccccc4F -MOL_01_028168,COc(c1)ccc(c12)c3c(oc2=N)cc(cc3)OCC(=N)N(C4)CCc(c45)cccc5 -MOL_01_028169,c1cccc(c12)cccc2-c(cc3CN)cc(c34)CC(CNC4)Cc5cccnc5 -MOL_01_028170,CCC(C)C(C(=O)N)NC(=O)Cc(c1)ccc(c12)CCC2 -MOL_01_028171,OCCC(C)(C)Cc1c(Cl)ccc(c1O)NC(=O)NC2CCC=C2Cl -MOL_01_028172,c1ccccc1C(CC2(C)CC)=NN2C(N)c3ccccc3F -MOL_01_028173,Cc1cccc(C)c1C(CN)c2cc(N)nc(n2)C(C)C -MOL_01_028174,O=C(N=1)C=c(c12)c(ccc2O)C(O)CNCCc3ccc(cc3)CNCCc4ccccc4 -MOL_01_028175,c1cccc(c12)cc(cc2C(N)CC)-c3ccc(cc3)CC(C)N -MOL_01_028176,NC(N)(N)NC(N=1)=NC(=O)C(C12)=CC(=C2)c3ccc(Cl)cc3 -MOL_01_028177,CCC1NCC(CN1)C(=N)c2cc(cn2C)-c3cccc(c34)cccc4 -MOL_01_028178,Cc1cc(ccn1)-c2ccc(cc2CN)NC(N)C(C)c3cccc(F)n3 -MOL_01_028179,CCCCCCCCOc1ccc(c(O)c1)C(=N2)CCC2(C)C(O)O -MOL_01_028180,c1cnncc1C(=O)N2CCC(CNC3CC3)C2Cc4ccncc4 -MOL_01_028181,c1cccc(c12)N(CC(O2)C)C(=N)CCC(=N)NCc3ccc(ON)cc3 -MOL_01_028182,CC(=N)NCC1CN(C(O1)=N)c(c2)ccc(c23)C(=N)CCC3 -MOL_01_028183,c1cccc(c12)nc(cc2C)CCC(=O)OCC(=O)N(CCCN)c3ccccc3 -MOL_01_028184,COc1cc(CN)ccc1N2CCOc(c23)cc(cc3)CNc4ccncn4 -MOL_01_028185,Cc1ccc(cc1)NC(N)CN2CCC(CC2)C(N)c3ccc(C)cc3 -MOL_01_028186,Nc(n1)cn(c12)nc(cc2)CCc3ccc(cc3)NC(N)c4ccccc4 -MOL_01_028187,Clc1cc(ccc1)NC(=O)CCC2=NC(=O)C(C(=O)N2)c3ccccc3 -MOL_01_028188,c1cccc(c12)C(=N)C3C(C2=N)C=C(C=C3)C(=N)NC(=C)NCCNCCN(C)Cc4ccccc4 -MOL_01_028189,O=C1NCC1NC(=O)CCc2cccc(c2)C3CCCCC3 -MOL_01_028190,CC1CCCCN1Cc2ccccc2NC(O)c3cc(C(F)(F)F)nn3C -MOL_01_028191,Cc1ccccc1C2(C3=C(CC(C)C)C(N)=C3N)CCCCC2 -MOL_01_028192,Cc1ccc(cc1)Cn2nc(-c3ccco3)nc2CCc4ccccc4 -MOL_01_028193,c1cccc(c12)nc(nc2O)CCCN3CCC(=NC3)c4ccccc4F -MOL_01_028194,CC(C)CCCC(N)c1cccc(c12)cc3c(n2)cccc3N -MOL_01_028195,c1ccccc1-c2nc(nc(Cl)c2CN)CCc3ccc(Cl)cc3 -MOL_01_028196,Cc(n1)nc(C)c(c12)c(N)c(cc2)CCc3ccccc3 -MOL_01_028197,CCCn1nc(C)c(c1N)C(O)c2ccccc2CC -MOL_01_028198,C1CCCC1(N(C)C)c2nc(C)c(C)c(n2)C(O)NCc3ccc(F)cc3 -MOL_01_028199,Fc1cc(cc(F)c1)NC(C)c2cc(C(N)NCC3CC3)cc(c24)c(N)cc(c4)N5CCOCC5 -MOL_01_028200,C1CCCCC1NC(=O)CCc2n(CC=C)c(nn2)CC(=O)Nc3cccc(c3)OC -MOL_01_028201,NCc1nc(N)nc(N)c1CCCc2cc(ccc2ON)-c3ccccc3 -MOL_01_028202,c1ccncc1NONC(=O)NCC(O)CN(C2)CCc(c23)cccc3 -MOL_01_028203,CC(N)C(C)(C)CNC(N)c(c1C)nc(CN)c(c12)cc(cc2)-c3ccccc3 -MOL_01_028204,c1ccc(CN)c(c12)CCCC2C(N)N(C)CCN3CCN(CC3)c4ccccc4 -MOL_01_028205,Cc1cccn(c12)c(=O)nc(n2)CCC(=O)Nc(c3)ccc(c34)OCO4 -MOL_01_028206,c1cccc(c12)ccc(c2)C(CCN(C)C)NC(=N)C(CN)c3ccccc3 -MOL_01_028207,FC(F)(F)c1cc(cc(c1)C(F)(F)F)NC2=C(N)C(N)=C2NC(CO)Cc3ccccc3 -MOL_01_028208,Cn1cnc(c1)-c2ccc(ON)c(c2)CCC3CCCC3 -MOL_01_028209,Cc(n1)nc(C)c(c12)c(ccc2)OCC3CCCCO3 -MOL_01_028210,Nc1cc(O)nc(n1)CCC(=O)Nc2cc(Cl)ccc2Cl -MOL_01_028211,c1cc(C)ccc1C(c(cc2)ccc2C)NCCN3CCCC3N -MOL_01_028212,CCCN1CCC(CC1)CCc2nc(c(CN)ccc3)c3c(c24)cccc4 -MOL_01_028213,Cc1c(N)c(N)c2c3cnc(c(C)c(N)c4N)c3c4c(cn5)c2c15 -MOL_01_028214,NC1CCCCC1n2ccc(cc2=N)-c3ccccc3NCc4ccccc4CN -MOL_01_028215,CCC(CN)c1c(Cl)cnn(c1=N)Cc2cccc(c23)cccc3 -MOL_01_028216,CCCc1ccc(cn1)C(N)Nc2ccc(c(F)c2)C3CCCNC3 -MOL_01_028217,CCC(O)c1cc(CN)c(nc1C)Cc2cccc(C)c2C -MOL_01_028218,NCc1ccc(cc1)-n2c(O)c(nc2C)CCCc3ccccc3 -MOL_01_028219,C1CCc(c12)ccc(c2)CNC(N)c3c(C)n(c(c3)N)Cc4cccc(F)c4 -MOL_01_028220,CCc(c1)c(CC)cc(c12)c(N)nc(C)c2CC(=O)CC(N)(N)N -MOL_01_028221,CCc1ccc(cc1)CC(O)Nc2cnc(C(N)O)c(C)c2CC -MOL_01_028222,c1cccc(c12)c(O)nc(n2)CCc3n(CC)c(nn3)CC(=O)Nc4ccccc4 -MOL_01_028223,c1ccccc1C(=O)CN(C2=O)CCc(c23)cc4c(c3)CC5N(C4=O)CCC5 -MOL_01_028224,Nc(c1)ccc(c12)ccc(c2)CCCCC(N)N3CCN(CC3)c4ccccc4 -MOL_01_028225,CCCC(N)c1cnc(nc1N)CCC(N)Nc(c2)ccc(c23)CCCC3 -MOL_01_028226,CC1CCN(CC1)C(=N)CC(c2ccccc2)NC(=N)c3ccccc3Cl -MOL_01_028227,NCCCCCCN(C(=N)N1)C(=N)C1(c2ccc(Cl)cc2)c3ccc(Cl)cc3 -MOL_01_028228,NCc(c1)c(CN)cc(c12)ncc(c2C)CC(C)CCCN -MOL_01_028229,Cc(n1)ccc(c12)c(ccc2)CCCN3CCN(CC3)Cc4cccc(c4)CN -MOL_01_028230,c1cccc(c12)c(cc(n2)C)CCc3ccc(cc3)CNCC(=O)N -MOL_01_028231,Cc1cccc(CN)c1C2CC(F)C(=N)N2Cc3ccc(CC(F)(F)F)cc3 -MOL_01_028232,c1ccccc1C(C)C(=N)NCC2CCN(CC2)c3ccncc3 -MOL_01_028233,c1cccc(c12)CCN(C2)CC(C)CCc3cccc(c3)NC(=N)c4cncnc4 -MOL_01_028234,CC(=O)c1cc(ncn1)-c2ccc(C)cc2C -MOL_01_028235,Cc1c(C)ccc(c12)cc(CN)c(n2)CCC(N)NC3CCCCC3 -MOL_01_028236,CCc1nnc(nn1)-c(nc(c23)CNC3)c(n2)CC4CCCCCC4 -MOL_01_028237,Cc1c(CN)cccc1-c(n2)nc(CC(N)N)c(c23)cccc3 -MOL_01_028238,NCC(=O)C1CCCCN1Cc(c2)ccc(c23)CCCN(C3)Cc4cnn(c4)-c5ccccc5 -MOL_01_028239,CCC(=O)c1ccc(Cl)c(c1)NC(=O)Cc2ccccc2NC -MOL_01_028240,c1ccccc1C(=O)NC(C)c2nnc(n2C)CCC(=O)NC3=NCCC3 -MOL_01_028241,N1CNc(c12)ccc(c2)C(CNC(=N)CCC)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_028242,c1cccc(c12)CCNC2CC(=N)Nc3c(N)cc(Cl)cc3Cl -MOL_01_028243,CCc1c(CC)ccc(c12)cnnc2CCC(=O)Nc3ccc(C(=O)C)cc3 -MOL_01_028244,CCc1ccc(cc1)C(N)c2cc(N)c(c(N)c2)-c3cc(Cl)cc(Cl)c3 -MOL_01_028245,Oc(n1)nc(O)c(c12)c(cc(c2)O)CCCC3CC3 -MOL_01_028246,CCc1ccccc1N2CCN(CC2)C(=N)C3CC(=N)N(C3)c4ccccc4 -MOL_01_028247,C1=NC(C)(C)Cc(c12)c(ccc2CN)-c3ccc(CN)c(c34)cccc4 -MOL_01_028248,C1CCCCCC1CN(CC2)C(=N)c(c23)c(F)ccc3CN -MOL_01_028249,c1ccccc1C(CC2=N)(c(c23)cccc3)Nc4ccc(CN)cc4 -MOL_01_028250,CCc1cc(C(O)N(CC)CC)ccc1Nc2ncc(CN)c(n2)NC -MOL_01_028251,CC(=O)NC(C)c1ccc(cc1)CC2CN(C2)c3cc(C(F)(F)F)ccn3 -MOL_01_028252,Cn1c(C)nc(NC)c1C(=C)CCc2ccccc2CN -MOL_01_028253,CCN(CC)CCCc(nc(c12)cccn2)c(n1)CCc3ccc(CN)cc3 -MOL_01_028254,Cc1cccc(c12)C(N)C(=CC2N)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_028255,CCN(C)C(N)C(CC)(CC)NC(N)c1ccc(C2CC2)c(n1)CCC3CC3 -MOL_01_028256,CC(C)(C)CNC(O)c1nnn(c1C(C)(C)C)-c2ccccc2 -MOL_01_028257,CC(C)Cc1ccc(cn1)N(CC2)C(=O)C23CCC(C)(CC3)CN4CCCC4=O -MOL_01_028258,Cc1nn(C)c(C)c1CN2CCCC(C2)C(=O)N3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_028259,O1CCOc(c12)ccc(c2)CC(=O)C3CCC(CC3)c4cnccn4 -MOL_01_028260,CC(C)(C)c1ccccc1NC(=N)c2cccc(c23)cccn3 -MOL_01_028261,Cc1cc(O)nc(c12)c(CN)c3c(c2CN)ccc(CN)c3CN -MOL_01_028262,NCCCn1cncc1-c2cccc(c2)CCc3ccccc3 -MOL_01_028263,C1CCCCC1CNC(=O)c2cccc(c2)CNCc3cccnc3 -MOL_01_028264,CCC(=O)c1ccc(cc1)-c(n2)nc(C)c(c23)cccc3C -MOL_01_028265,NC(N)N1C(=N)CCc(c12)cc(cc2)CN3CCN(CC3)c4ccc(F)cc4 -MOL_01_028266,CCc(c1)cc(n12)nc(C)c(c2N)CCc3ccc(Cl)cc3 -MOL_01_028267,CC1CCCCC1NC(=O)CCc2n(CC)c(nn2)CNC(=O)COc3ccc(C(C)C)cc3 -MOL_01_028268,CC1(C)C(N)N(C)c(c12)nccc2 -MOL_01_028269,Cc1cc(C)cc(c1)NC(=N)Nc2cc(N)nc(c23)cccc3 -MOL_01_028270,CC=1C(C)=CC(C12)=NC(=NC2=O)c3cccnc3 -MOL_01_028271,Cc1cccnc1C(=O)N2CCC(CC2)Cc3ncccc3C4CCCCC4 -MOL_01_028272,OC1OC(CN)c(c12)c(F)ccc2OCC -MOL_01_028273,C1CCCC1Cn2c(C)c(cc2C)C(N)CCC(N)c3cccnc3Cl -MOL_01_028274,CC(C)(C)c(c1)ccc(c12)nccc2Cc3cc(O)ccc3N -MOL_01_028275,CNc1cccc(c1)CCc2ccc(cc2)C3C(CN)N(C3CN)C(=N)C4CCCCC4 -MOL_01_028276,c1cccc(n12)nc(C)c2C(O)NNC(O)c3ccc(Cl)cc3Cl -MOL_01_028277,NC(N)c1cc(C(N)N)nn1-c2ccc(C)c(c2)-c3ccccc3CC(C)(C)C -MOL_01_028278,Oc1nnc(n12)CN(C2O)c3ccc(Cl)cc3 -MOL_01_028279,NCc1c(O)ncc(c12)C(O)c3c(N2)cccc3 -MOL_01_028280,CCc1ccccc1CCc(c2)ccc(c23)nnc4n3ncc4F -MOL_01_028281,CCCCC(N)c(c1N)cnc(c12)ccc(c2)CCc3ccccc3 -MOL_01_028282,CCCCC(N)c(c1N)cnc(c12)ccc(c2)CC -MOL_01_028283,NCc(c1)c(CN)cc(c12)cc(C(=O)N)c3c2cnc4c3cc5c(c4)CCC5 -MOL_01_028284,CCc1nnc(nn1)-c(c2C)ccc(c23)nc(CC)nc3C -MOL_01_028285,NCC(=O)NC1=NC(CC1C)c2c(Cl)cccc2Cl -MOL_01_028286,NCC(O)Nc(n1)cn(c12)cc(cc2)C(O)c3ccccc3 -MOL_01_028287,Cc(c1)ccc(c12)OCC(N)N2CCCC(N)Nc3cccc(C(F)(F)F)c3 -MOL_01_028288,C1CCN=C1NC(=O)CCc2n(CC)c(nn2)CNC(=O)c3ccc(Cl)cc3 -MOL_01_028289,CCNc1ccc(c(c1)OC)NC(C)c2cc(ncn2)NC3CCCCC3 -MOL_01_028290,CCCCCCCCN(C1CC(=O)CN)Cc(c12)ccc(c2)C(F)(F)F -MOL_01_028291,c1ccccc1CC(=N)NC2CCN(CC2)CCCN3C(=N)CCc(c34)ccc(c4)CN -MOL_01_028292,c1ncnn1C(C(C)(C)C(=O)CC)c2ccc(cc2)Nc(c3)ccc(c34)CCC4 -MOL_01_028293,Cc1ccccc1C(=O)CCC(=O)Cc2cc(C(N)(N)N)nn2-c3ccccc3 -MOL_01_028294,NCCCc1ccc(F)c(c12)NC(=O)C2 -MOL_01_028295,CCCC(N)C1(CC2CC2)CCN(CC1)C(N)c3cc(C)nc(c34)ccc(c4)CC -MOL_01_028296,C1CCCC1N(C)C(N)COC(N)c2cccnc2Nc3cccc(C(F)(F)F)c3 -MOL_01_028297,NCc(c1)c(CN)cc(c12)c(nc(n2)C)CC3CCCCCC3 -MOL_01_028298,C1CCCN1Cc2cc(ccc2OC)C(=O)Nc3ccc(Cl)cn3 -MOL_01_028299,C1CC(=O)N(C12C)C(CC2)C(=O)Nc3cc(Cl)ccc3N4CCCC4 -MOL_01_028300,c1ccccc1NCC(=O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_028301,c1ccccc1C(=O)NC(C(C)C)C(=O)CCC(=O)N2CCCCCC2 -MOL_01_028302,CCc1ccc(cc1N)NC(N)c(c2N)cnc(c23)cccc3 -MOL_01_028303,CN(C)CC(C)CC(O)CCc(c1O)ccc(c12)cccc2 -MOL_01_028304,NCc1ccc(cc1F)-c2ccc(cc2)CC(CN)NC(N)C34CCC(N3)CC4 -MOL_01_028305,Cc1cccc(c12)N(O)N=C(N2O)NC3CCCC3 -MOL_01_028306,Cc1ccc(cc1C)Cn2c(C(C)(C)C)ccc(C(=N)N)c2=N -MOL_01_028307,COc1ccc(cc1NF)C(=O)OCC(=O)Nc2cccc(c2)CNC3=NCCCCC3 -MOL_01_028308,CNc1cc(C)cc(NC)c1N(C2=O)C(=O)C(=C23)C(C)CCCC3C -MOL_01_028309,Cc(n1)ccc(c12)c(C)c(cn2)C(=O)NCc3ccc(Cl)cc3 -MOL_01_028310,c1ccccc1C(N)CCc2nc(N)c(C)c(n2)Cc3c(Cl)cccc3Cl -MOL_01_028311,Cc1cc(NO)ccc1-n2nc(C)n(c2=O)C(C)C -MOL_01_028312,Cn1cc(c(n1)C(F)(F)F)C(=N)Nc2ccccc2C(N)CC(N)N -MOL_01_028313,NCc1ccc(cc1)NC(=N)CC2C(=N)N(Cc3cccnc3)CC2Cc4ccccc4 -MOL_01_028314,NCCCc1nc(O)c(CN)c(n1)-c2ccc(ON)cc2 -MOL_01_028315,Cn1cnc(n1)CN(CC2)CCC2(CC3CC3)CNC(=O)c4ccc(Cl)cc4Cl -MOL_01_028316,c1ccnc(c12)CCC2NC(=O)Cc3ccc(C(F)(F)F)cc3 -MOL_01_028317,c1ccncc1NC(=O)C(C)NCc2ccc(Cl)c(Cl)c2 -MOL_01_028318,N=C(N)c1cccc(c1C)NCCCCNc2ccc(c(N)c2C)C(=N)CC(C)(C)C -MOL_01_028319,NCc1ccc(cc1)C23N(C(=N)CC2)CC(C3)CCc4ccc(Cl)cc4 -MOL_01_028320,CC1(C)N(C)C(=N)N(C1)c2ccc(cn2)CCc3cncnc3 -MOL_01_028321,CC(C)(C)N1CCN(CC1)C(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_028322,Clc1ccccc1C(N)Nc(c2)ccc(c23)n(cc3)C(N)c4ccccn4 -MOL_01_028323,Fc1cccc(F)c1C(=C)n2nc(N)nc2Nc3ccc(CN)cc3 -MOL_01_028324,NC(N)(N)c1ccc(c(Cl)c1)CCCn2cnc(c23)cccc3 -MOL_01_028325,C=CCNC(=O)c(c1=O)cnc(n12)CCC2 -MOL_01_028326,CC(C)(C)c(c1)ccc(c12)nccc2NC(O)Nc3cnccn3 -MOL_01_028327,NCCC(=O)N(C(N)C1)N=C(c(cc2)ccc2N)c(c13)cc4c(c3)CCC4 -MOL_01_028328,CCc1c(O)nc(N)c(c12)CC(CC2)c3ccncc3 -MOL_01_028329,CCCC(O)c(nc1)cc(c12)CNC2CCC -MOL_01_028330,Cc1cc(C)n(n1)CCCNC(=O)c(c2)ccc(c23)CCC(=O)N3 -MOL_01_028331,Cc(c1)ccc(c12)nccc2NC(N)Nc3cccc(n3)C(C)(C)C -MOL_01_028332,NOc1ccc(c(c1)ON)C(=O)CCCCCc2ncccn2 -MOL_01_028333,Cc1ccc(NCN)cc1Oc2cc(F)cc(c2C(N)O)Nc3ccc(N)cc3F -MOL_01_028334,CC(C)(C)C(C)NC1=C(C(C)=C1C)Nc2ccnc(n2)Nc3cccnc3 -MOL_01_028335,Cn1c(=O)n(C)c(=O)c(c1C)C(=O)CCC2CCCCC2 -MOL_01_028336,C1NCCNC1CC(=N)NC2CCC(CC2)CCN3CCC(CC3)c4cccc(c45)NCC5 -MOL_01_028337,NC(=O)c1cncc(c1)CCc2cccc(c2)NC(=O)c3ccc(cc3)N4CCCCC4 -MOL_01_028338,Clc1ccccc1NC(=O)CCC(=O)c2cccc(c2)CN3CCCC3 -MOL_01_028339,CC1(C)CN(C1)c2ccc(C(N)NC(C)(C)C)nc2CCC3CC3 -MOL_01_028340,c1ccccc1CNC(=N)CCN(C(=N)N2)C(=N)C2(c3ccccc3)c4ccccc4 -MOL_01_028341,CCC(C)(C(=N)N1)NC(=N)c(c12)cc(cc2)CNc3ccc(Cl)cc3 -MOL_01_028342,NCc1ccc(cc1)-c2ccccc2COC(C3)COc(n34)nc(c4)CO -MOL_01_028343,CN(C)CCNC(O)c1ccc(N)c(c1)C(C)(C)C(O)Nc2ccc(ON)cc2 -MOL_01_028344,CC(=O)N1CCC(CC1)Cc2ncccc2-c3ccc(c(F)c3)-c4cnc(N)nc4 -MOL_01_028345,C1CC(=N)Nc(c12)cc(C)c(c2)CCCC(=N)NC(C)c3ccccc3 -MOL_01_028346,Cn1c(C)nc(c12)n(C)c(=N)n(C)c2=N -MOL_01_028347,C1CCCC1Cc2cc(ccc2CC)C(=O)NCC(=O)N3CCCC3CN -MOL_01_028348,c1ccccc1C(C)C(=N)C2c(cccc3N)c3C(=N)c(c24)c(N)ccc4 -MOL_01_028349,c1ccccc1C2(CCC(=N)NC2=N)C3CCN(CC3)Cc4ccc(Cl)cc4Cl -MOL_01_028350,Cc(c1)ccc(c12)occ(c2=O)C3CCC(N3)C(=O)O -MOL_01_028351,CCc1ccc(cc1)CCC(=O)Nc2ccc(cc2)CNc3cc(C)nc(n3)C -MOL_01_028352,NOc1ccc(cc1)CC2=CC=C(CC2)c(c3)ccc(c34)OCCO4 -MOL_01_028353,C1CC1CNC(=O)c2ccc(cc2)CN(Cc3ccccn3)Cc4ccc(Cl)cc4 -MOL_01_028354,FC(F)(F)c1cccc(Cl)c1NC(=O)CCC(=O)c2ccc(Cl)nc2 -MOL_01_028355,Cc1ccc(cc1)CNC(O)c2nc(nc(O)c2O)-c3cnccn3 -MOL_01_028356,Cc1ccc(cc1)C(N=2)=NC(=O)C(C23)=C4C(=C3)CCCC4 -MOL_01_028357,CC(C)(C)c1cccc(C(C)(C)C)c1N(C2N)C(N)c(c23)ccc(c3)N -MOL_01_028358,NOc1ccc(ON)cc1C(=C)CN2C(=C)C(=C)N(C2=C)C3CCCC3 -MOL_01_028359,NCc1ccc(cc1)C2(F)CCN(CC2)C(O)c3ccc(C)c(c3)NC(O)NCC4CCNCC4 -MOL_01_028360,Clc1cc(Cl)ccc1C(=N)NCC2(c3ccccn3)CCN(CC2)CCC(F)(F)F -MOL_01_028361,CCCc1ncccc1C(O)CCC(O)Nc2ncc(C(F)(F)F)cc2Cl -MOL_01_028362,Cc1c(C)ccc(c12)c(C)c(c(c2)O)CCC(C)O -MOL_01_028363,O=C(O)Cc1ccc(cc1)-n2cnc(c23)C(=O)N=NC3=O -MOL_01_028364,O=C1CCCN1C(C(F)(F)F)(C(=O)CCC)NC(=O)c2ccccc2 -MOL_01_028365,c1ccccc1C(c(c23)c(N)nc(n2)N)c4c(C3)c5c(cc4)cccc5 -MOL_01_028366,CC(=O)c1cn(nc1C(F)(F)F)-c2ccc(c(c2)CN)CCC(C)(C)C -MOL_01_028367,C1NCN(N12)C=CC=C2CN(CC)C(=O)C(C)c3cccnc3 -MOL_01_028368,c1cccc(N2)c1Nc(c3CC)c2c(C)c(c34)CNC4=N -MOL_01_028369,CC(=N)c1ccc(cc1)CC(C2(CC)CCC)N(C2=N)C(=N)NCc3ccccc3 -MOL_01_028370,NC(=N1)N=C(N)C1(CCCC)c2cccc(C)c2 -MOL_01_028371,NCC1CCN(CC1)c2cccc(n2)C(O)c3cccnc3N -MOL_01_028372,c1ccccc1CN(CC2)C(N)N(CC(C)N)c(c23)cccc3 -MOL_01_028373,CN(C)C(N)CCCC1CN(C2CCC2)Cc(c13)ncn3C -MOL_01_028374,CCC(NC)c1ccc(Cl)c(c1C)C(=N)c2ccc(N)nc2 -MOL_01_028375,NCCCC(N)C1(CCCCC1)CC(N)c2cccc(c2)-c3ccccc3 -MOL_01_028376,CCc1c(N)cc(Cl)cc1C(O)NC(CN23)C(CC2)CC3 -MOL_01_028377,NCc1ccc(cc1)CCc2nc(N)c(CC)c(n2)Cc3cc(C)cc(C)c3 -MOL_01_028378,Cc1ccc(c(Cl)c1)NC(=O)CC(C)Cc(c2)ccc(c23)CCC(=O)N3 -MOL_01_028379,CC1(C)CCCN(C1C(=O)N)Cc2ccc(cc2)CCc3ccccc3CN -MOL_01_028380,Clc1ccccc1-c2cnc(C)c(n2)C(=O)Cc3ccccc3 -MOL_01_028381,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccccc3CN(C)C -MOL_01_028382,Cc1ccc(C)c(c1)C2(CCC(N)CC2)C(N)(N)c3ccc(F)cc3 -MOL_01_028383,CC1(C)OC(OC1(C)C)c2cc(C(=O)O)ccc2NC(=O)Cc3ccccc3 -MOL_01_028384,CC1CCCN1CCN(C2=N)CCc(c23)cc(cc3)-c4ccc(cc4)C(=N)N5CCCC5 -MOL_01_028385,c1ccccc1CN2C(=N)C(CC2=N)N3CCN(CC3)C4c(cccc5)c5c(c46)cccc6 -MOL_01_028386,NCC(=C1)C(=C)C=C(C12CN)c3c(CC2)cccc3C -MOL_01_028387,CCC(=O)c1nnn(c1C(=O)CC)CC(=O)Nc2cccc(c2)CC -MOL_01_028388,CC(=O)c1ccccc1C(=O)CC2CCCc(c23)nc(C)nc3 -MOL_01_028389,c1ccccc1N(C)Cc2cc(ccc2Cl)C(O)N3CCN(CC3)c4ccccn4 -MOL_01_028390,n1ccnc(c12)CC(C(=O)N)N(C2)Cc3ccc(cc3)-c4ccccc4 -MOL_01_028391,Nc1cc(N)c(c(N)c1)CC(C2)Cc(cccc3)c3n(c24)cnc4 -MOL_01_028392,CN1CCN(CC1)c2cc(nc(n2)N)N3CCNC3O -MOL_01_028393,Cc1ccc(cc1)CNC(=N)c(c2)ccc(c23)N(C)C(=N)C(C)N3C4CC4 -MOL_01_028394,c1cccc(c12)c3n(cc2)c(cc3CN)C(N)c4ccccc4 -MOL_01_028395,CNc(n1)cn(c12)CC(CC2)CCc3cnn(n3)-c4ccc(C)cc4 -MOL_01_028396,NCCCC1(C(=O)C)CCCN(C1)Cc(c(Cl)c2)cc(c23)CCC3 -MOL_01_028397,c1cccnc1CNC(=C)c2ccc(cc2)CC3CCN(CC3)Cc4c(C)cccc4CN -MOL_01_028398,CCc1ccc(CC)c(c1)NC(N)c2nnn(c2N)CC(N)Nc3ccc(C(C)C)cc3 -MOL_01_028399,C1CCCCC1(CN)NC(N)CCc(n2)cc(N)c(c23)cccc3N -MOL_01_028400,NCOc(c(Cl)c1)cc(c12)nc(n2C)CCCn3ccnc3 -MOL_01_028401,CC(C)CN1C(N)CCC1c2ccncc2-c3ccc(F)cc3 -MOL_01_028402,N=1C=NC(=O)C(C12)=CC(=C2C)c3ccc(C)cc3 -MOL_01_028403,CC(C)C(=O)c(c1)c(NC(=O)C)cc(c12)CCCC2 -MOL_01_028404,CC(C)n1nccc1NC(=O)C(C)CC(=O)c2ccccc2NCCO -MOL_01_028405,CCCCc1cc(NC(C)O)nc(n1)CC(C)c2ccccc2 -MOL_01_028406,c1cccc(c12)cc(C(=N)C(=N)N)n2Cc3ccccc3 -MOL_01_028407,c1cccc(c12)c(nnc2N)-c3ccc(cc3)NC(N)N(C4)Cc(c45)cccc5 -MOL_01_028408,c1cccc(c12)CCN(C2)CC(C)CNC(N)c3cccc(c3)NC4CCCCC4 -MOL_01_028409,COc1ccc(cc1)C2=NCN(C)C(=C2)C(=O)Nc3ccc(OC)c(c3)OC -MOL_01_028410,c1ccnc(c12)OCC2C(N)CCc3c(Cl)cc(Cl)cc3Cl -MOL_01_028411,NC(N)n1cnc(c12)c(cc(c2)CC(NC)NN)CCc3cccc(C)c3 -MOL_01_028412,CCC(=O)C1=C(C)N(C(=O)C1)c2ccc(cc2)C(=O)CC -MOL_01_028413,Fc1ccc(cc1)Cn2nc(N)cc2NC(N)c3cccc(F)c3 -MOL_01_028414,CCN(CC)CCNC(N)c(n1)cc(c12)cccn2CCc3ccccc3 -MOL_01_028415,n1cnnn1CC(C)N(C=2O)N=Nc(c23)cc=4c(c3)N=NN(C4O)C5CC5 -MOL_01_028416,NCc1c(C)ccc(c12)C(N)N3C(C2)CNCC3 -MOL_01_028417,NCc1cc(ccc1Cl)CN2CCCC(C2)CCc3ccccn3 -MOL_01_028418,Cc1ccccc1C(=O)C(C)(Cn2cncn2)c3ccccc3C -MOL_01_028419,CCCC1CCC(CC1)C(O)n(c2O)cc(c23)nccc3 -MOL_01_028420,CCc1ccc(cc1)C2C(=C)N(C3CCC(N)CC3)C2c4ccc(CN)cc4 -MOL_01_028421,O1CCOc(c12)ccc(c2)C3C(=O)C(CC3=O)C4CCC(CC4)Cc5ccccc5 -MOL_01_028422,c1cccc(c12)ccc(c2)C(=N)C3CCCN(C3)C(=N)c4cccnc4 -MOL_01_028423,Nc1cccc(c12)c(O)nc3c2cc(c(c3)C(F)(F)F)CC(=O)CCl -MOL_01_028424,Cc1ccc(c(C)c1)-c2cn(cc2CN)-c3ccc(N(C)N)c(C)c3 -MOL_01_028425,CC(C)(C)C(=O)N1CCC(CC1)n2cnc(c2)C3(O)CCCC3 -MOL_01_028426,COC(N)c(n1)cc(N)c(c12)cc(cc2)CC(N)c3ccc(OC(F)(F)F)cc3 -MOL_01_028427,CCc(c1)c(CC)cc(c12)nc(nc2C)CN(CC)C(=O)c3ccc(cc3)CN(C)C -MOL_01_028428,Cc1nn(C(F)F)cc1CNc2c(c(=O)c2=O)N3CCC(CC3)Cc4ccccc4 -MOL_01_028429,c1ccccc1C(C)CNc2cc(ncn2)-c3ccc(N)c(N)c3 -MOL_01_028430,c1cccc(c12)c3n(c(N)c2CN)c4c(n3)cccc4 -MOL_01_028431,C1CCCCC1CC2=C(C(=O)OCN)CC(C2=O)c3ccccn3 -MOL_01_028432,CCC1=C(CN)C(=O)N(C(=O)C1CN)c2ccc(Cl)cc2 -MOL_01_028433,c1cccc(c12)n(nc2C(C)=N)Cc3cccc(c3)C(=N)c4ccccc4 -MOL_01_028434,NCc1cc(CN)cc(c1)Cc2c(c3cc(c24)c(CN)c(cc4)CN)c5c(CC3)cc6c(c5)CCC6 -MOL_01_028435,Clc1ccc(cc1)C(=N)C2CCN(CC2)C(=N)c3ccccc3 -MOL_01_028436,CC(C)N1CCC(CC1)CNC(=N)C(c2ccccc2Cl)NC(=N)c3ccc(CN)cc3 -MOL_01_028437,Cc1ccccc1OCc2nnc(n2C)CCc(n3)cc(N)c(c34)cccc4 -MOL_01_028438,CC(N)N1CCc(c12)ccc(c2)NC(N)c3ccc(C(C)(C)C)cc3 -MOL_01_028439,c1ccccc1-c(c(c23)cccc2)cc(n3)C4CN(N)CN(C4)N -MOL_01_028440,NCOc1ncccc1C(=N)C2CCC(CC2)c3cc(Cl)ccc3N -MOL_01_028441,NCc(c1)c(CN)cc(c12)C(CCC2(C)C)CCN3CCN(CC3)c4cccc(C(F)(F)F)c4 -MOL_01_028442,NCc1cc(N)c(Cl)cc1C(=O)NC(C2)CCC(N23)CCCC3 -MOL_01_028443,Cc1occc1C(=N)NCCN(Cc(c23)cccc3)CC(C2)c4ccccc4F -MOL_01_028444,C1CNCCC12CN(C2)C(N)c(n3)ccc(c34)cc(cc4)Cc5ccc(C(F)(F)F)cn5 -MOL_01_028445,C1CCCN1c2ccc(cc2)C(=N)NCCn3c(N)cc(c34)cccc4 -MOL_01_028446,NCc1ccc(cc1)C(N)N(CC2)CCC23CCN(CC3)c4ccccn4 -MOL_01_028447,CCCC(O)C1=C(C)CC(N)=C(CN)C1c2ccc(C)cc2 -MOL_01_028448,CCc1ccc(cc1)Cc2c(Cl)cnn(c2=N)-c3ccc(cc3)C(N)CN -MOL_01_028449,c1cncn1CCCC(C)N(Cc2ccc(Cl)cc2)c3cc(Cl)ccc3CO -MOL_01_028450,Cc1ccc(CO)c(c1)NC(=O)c2ccc(N(C)C)cc2N(C)C -MOL_01_028451,c1ccccc1NC2=C(C(=O)CCC)CN(C2=O)c3ccccc3 -MOL_01_028452,CC(=O)C(C(=O)N=1)=CC(C12)=C(N)C(=C2)C(=O)C3CCCCC3 -MOL_01_028453,CCNc(n1)nc(NCC)n(c12)c(nn2)CCC(=O)Nc3c(C)cccc3C -MOL_01_028454,CC(C)(C)c1cccnc1N2CCC(CC2)CC3CNCNC3 -MOL_01_028455,Cn1nc(C(N)N)c(c1C(C)C)CCCC(O)c2ccccc2ON -MOL_01_028456,C1CCCc(c12)ccc(c2C(=O)C)NCc3ccccc3NCCN(C)C -MOL_01_028457,c1cccc(c12)Cc3c(N=C2)c(ncn3)Nc4ccccc4 -MOL_01_028458,c1cccc(c12)c(nn(C)c2=N)CC(=N)Nc3cccc(C(F)(F)F)c3 -MOL_01_028459,Cc1ccccc1CN2CCC(CC2)Cc3ccc(cc3)C(N)NCc4ccccn4 -MOL_01_028460,NC(N)(N)C(C)CC1CCC(CC1)C(N)c2cccc(c23)nccc3 -MOL_01_028461,NCc(cc1)cc(c12)C(C(C)C(C2=O)(C)C)CC(=O)c3ccc(CF)cc3 -MOL_01_028462,CCCCNC(=O)c1ccc(C)c(c1)NC(=O)C2=C(C)CCCC2 -MOL_01_028463,Fc1ccc(cc1Cl)NC(N)c2cccc(c23)c4c(C3N)cccc4 -MOL_01_028464,CCc1cccc(C)c1NC(N)CN(C2N)Cc(c23)cccc3 -MOL_01_028465,CCCc1cc(NCN)c(Cl)cc1C(N)NCC2CCCN(C2)Cc3ccc(F)cc3 -MOL_01_028466,c1ccccc1N(CC2(N)N)N(C2=N)Cc3ccc(F)cc3 -MOL_01_028467,CC(=O)Nc1ccc(cc1)CC(=O)c2cc(C)ccc2Nc3ccnc(C(F)(F)F)c3 -MOL_01_028468,C1CCCCN1C(O)c2c(C)n(C)c(C)c2CNCCc3ccc(CN)cc3 -MOL_01_028469,Fc1cc(F)c(F)cc1CC(N)CC(=N)N2CCCCCN2C(=N)c3ccccc3 -MOL_01_028470,Cc(c1)ccc(c12)cc(c(n2)C)CCNC(C)N -MOL_01_028471,Clc(c1)ccc(c12)cc3c(c2C)C(N)NN(N3)c4ccccc4Cl -MOL_01_028472,COc1cc(OC)nc(n1)NC(=O)NCc2cc(NC=O)ccc2C(=O)N(C)C -MOL_01_028473,C=C=CC(C)(C)NC(N)c1c(N)cccc1C(N)Nc2ccc(CC)c(C(F)(F)F)c2 -MOL_01_028474,c1cccc(c12)n(C)c3c2cc(cc3)CC4C(=N)CCCCC4c5c(CN)cccc5CN -MOL_01_028475,C1CCN1C(O)c2ccc(Cl)cc2N/C=c3\cccc(c3=4)N=CN4 -MOL_01_028476,CCCCCc1ccc(cc1)C(C2=O)C(=O)c(c23)cccn3 -MOL_01_028477,c1ccccc1N(CCCC)C(=N)C(N2)=CNc(c23)cc(N)c(c3)C(C)(C)C -MOL_01_028478,c1cccc(c12)c(cc(n2)N)CNC(=O)CCc3ccc(F)cc3F -MOL_01_028479,CN(C)C(=N)c(c1)ccc(c12)c3c(C2(N)C(F)(F)F)cccc3 -MOL_01_028480,Nc(c1)c(N)cc(c12)nc(C)c(c2)CCNC(=O)c3ccc(N)c(NF)c3 -MOL_01_028481,C1CCC1NC(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)nc4 -MOL_01_028482,NCc1ccc(CN)c(c1)CN(C(O)CF)c2cncnc2Cc3ccccc3 -MOL_01_028483,c1cccc(c12)CC(C)C=3C(=C2)C(C=NN3)Cc4cc(CN)c(CN)c(c4)CN -MOL_01_028484,c1ccc(F)c(c12)ncc(c2C)C(=N)NCc3ccc(Cl)cc3 -MOL_01_028485,C1CCN1C(=O)CNC(=O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_028486,NCc1cnc(cc1NC)Nc2cnc(CN)c(n2)CC(C)CN(C)C -MOL_01_028487,NCc(c1)c(CN)cc(c12)c(cnc2N)Cc(n3)ccc(c34)cccc4N -MOL_01_028488,Cc1cccc(c1C)N2CCN(CC2)C(N)c(c(N)c3)cc(c34)cccc4 -MOL_01_028489,CC(=O)Oc1c(Cl)cc(cc1OCC)/C=C2/C/C(=N/C)N(C)C2=O -MOL_01_028490,CCc1ccccc1N(Cc2ccc(C)cc2)CC(=O)NCc3ccc(CN)cc3 -MOL_01_028491,C1CCCc(c12)cccc2C(N)N3CCCCC3Cn4cccn4 -MOL_01_028492,CCCC(O)C(O)NCc1cncc(c1)-c2ccc(F)cc2CN -MOL_01_028493,CN(C1)CCc(c12)ccc(c2)NC(O)c3cccc(c3)CNC(O)c(c4)ccc(c45)nc(O)cc5 -MOL_01_028494,c1ccccc1C(NC)CC(C)n2ccc(N)nc2=O -MOL_01_028495,CC(O)c(c1O)cc2C(C)CCc(c2c13)c(c(F)c3)CCC4NN4 -MOL_01_028496,NCCCCCc1cc(ccc1CN)C(=O)N(C(C)C)CC2CNCC2CC(=O)N3CCCC3 -MOL_01_028497,c1ccccc1-n2nc(C(C)(C)C)c(c2)C(O)Nc3ccccn3 -MOL_01_028498,CCNC(=O)CN(CC1(C)C)C(=O)C1Cc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_028499,CCCC1CCN(CC1)CCc2cc(cc(C(C)(C)C)c2CN)-c3cccnc3N -MOL_01_028500,CCCNC(=O)Nc1ccc(cc1)Cc2ncnc(c23)ccn3C -MOL_01_028501,NCCC(C)NC(=O)c1cccnc1Cc2ccc(cc2)Nc3ccccn3 -MOL_01_028502,NCc1c(O)cc(O)n(c12)c3c(n2)cccc3 -MOL_01_028503,CCc1ccc(nc1)-n2nc(C(C)(C)C)cc2CCC(N)N -MOL_01_028504,FC(F)(F)c1c(Cl)c(ccc1)CNC(=N)C2CCC(=N)N2Cc3ccccn3 -MOL_01_028505,CC(=O)Cc1cccc(c1)-c2cncc(n2)CCCCc3ccccc3 -MOL_01_028506,c1ccccc1Cc2ccc(cc2)C(C)Nc3nccc(n3)N4CCCC4=O -MOL_01_028507,Cc1ccc(c(C)c1C)Cn2cc(cn2)NC(O)c3ccccn3 -MOL_01_028508,CCc(c1)c(CC)cc(c12)cnc3c2C(O)NC3O -MOL_01_028509,O1COc(c12)ccc(c2)C(=NC3(C)CC)CC(=N3)c4ccccc4O -MOL_01_028510,O1NOc(c12)ccc(c2)CN(C(=N)Nc(cc3Cl)ccc3C)C4CCN(CC4)Cc5ccccc5 -MOL_01_028511,NCc(c1)c(CN)cc(c12)CCCC2CCN3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_028512,Cc1ccc(o1)Cn2cc(cn2)NC(=O)c3ccccn3 -MOL_01_028513,C1CNCC(N)C1(F)CNC(=N)c2c(F)cccc2-c3cccc(Cl)c3 -MOL_01_028514,c1ncnn1CC(N)c2cc(N)n(c2N)CCc3ccc(F)cc3 -MOL_01_028515,NCc1ccccc1C2=C(C(O)CC2O)Cc3ccccc3 -MOL_01_028516,NC(N)CCc1ccc(-c2ccc(Cl)cc2)cc1C(N)c3cnn(c3)-c4ccccc4 -MOL_01_028517,n1cc(N)n(c12)c3c(nc2CC)cc4c(c3)cccc4 -MOL_01_028518,Cc1cccc(c1)CC(=O)C2CC(C(=O)N2)c3ccc(Cl)cc3 -MOL_01_028519,Clc1ccc(cc1)C2NCCC(C2=3)=CN4N(C3)CNNC4 -MOL_01_028520,Nc1ccccc1NC(C2N)=C(Cl)C(N)c(c23)cccc3 -MOL_01_028521,Cc1ccccc1NC(=O)Cc2nnc(n2C)CCC(=O)NC3CCCCC3 -MOL_01_028522,C1CCCCN1Cc2cc(ccc2C)C(=O)CCC(=O)Nc3ccccc3 -MOL_01_028523,c1cccnc1N(CCC(O)CC)C(O)c(c2)ccc(c23)CCC3 -MOL_01_028524,O=c1ccc(nn1C)-c2ccc(c(Cl)c2)CCCCN3CCCC3N -MOL_01_028525,Cc(n1)cc(C)c(c12)c(C)nc(n2)CCC(=O)N3CCCCC3 -MOL_01_028526,c1ccccc1C(C)CC(O)CCC(N)(N)c(c2)ccc(c23)OCO3 -MOL_01_028527,c1ccccc1C(C2=O)=NOC23CCN(CC3)Cc4ccco4 -MOL_01_028528,COc1ccc(cc1)-c2cccc(c2)CNC(Cc3cccc(c3)CN)C(=N)N4CCC(CC4)CCN -MOL_01_028529,C1NNCC1C(=O)c2ccc(Cl)c(c2)CNCc3cccnc3 -MOL_01_028530,NCCCC(=N)C1(N)CCCC(C1)Cc2ccc(cc2)-c3ccccn3 -MOL_01_028531,O1CCOC1CCn2nnc(c2)CN3C(=O)C(C)N(CCC3)Cc4ccc(cc4)-c5ccccc5 -MOL_01_028532,CCCCCc1ccc(cc1)-c2c(CN)c(C)nc(N)c2CN -MOL_01_028533,CC(C)c1cccc(C(C)C)c1N(C2=N)C(=N)c(c23)ccc(c3)C(=N)O -MOL_01_028534,Cc1cc(F)ccc1NC(=O)c2cc(cn2C)CN3CCOCC3 -MOL_01_028535,C1CNCCC1CNC(=N)c2ccccc2-c3cc(Cl)ccc3Cl -MOL_01_028536,CCCC(=O)NC(C(C)(C)C)(C(=O)CCC)Nc1cc(C)ccn1 -MOL_01_028537,c1cccc(c12)Cc3c(N=C2)c(ncn3)NCc4ccccc4 -MOL_01_028538,c1ccncc1CN(CC)c2ccc(cc2)C(=N)N(C3)CCc(c34)ccc(c4)C -MOL_01_028539,CC(O)N(C)CC(O)NC1(CC1)c2ccc(Cl)c(Cl)c2 -MOL_01_028540,OCCCCc(n1)c(NCC)nc(c12)cc(c(Cl)c2)CCCCO -MOL_01_028541,CC(=O)c1ccc(cn1)NC(=O)c2cc(C(F)(F)F)ccc2Cc3ccccc3CN -MOL_01_028542,CCC(CC)CCCC(O)c(c1O)cnc(c12)ccc(c2)N -MOL_01_028543,C1CCCCN1CCNC(=O)c2cccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_028544,c1nccc(c12)cccc2C(=N)Nc3cccc(c3)CN4CCC(CC4)C(=N)NC5CCCCC5 -MOL_01_028545,CC(=O)Nc1ccc(CN)c(c1)NC(C)C(=O)Nc2ccc(F)c(F)c2F -MOL_01_028546,O=C(O)c1ccccc1CCCn2cnc(c23)C(O)CC=CC3 -MOL_01_028547,NCc1c(N)cc(N)nc1CCc(n2)nc(O)c(c23)cccc3 -MOL_01_028548,NCc1cccc(n1)CN(C2N)CCCc(c23)ccc(c3)-c4ccc(CC(F)(F)F)cc4 -MOL_01_028549,N=C(C1)NCC12c3c(CC2)c(c(cc3)CN)CC4CCCC4 -MOL_01_028550,Fc1cc(ccc1)N(C(=N)C2)CC23CCN(C3)Cc4ccc(CN)cc4 -MOL_01_028551,CC(=O)NC(C(F)(F)F)(C(=O)CN)Nc1cc(C)ccn1 -MOL_01_028552,c1ccccc1-c2c(N)nc(nc2C)CCC(N)NCCc3ccccc3 -MOL_01_028553,CC(=N)CCc1ccc(cc1)CC(C(=N)N)NC(=N)C2CCCN2Cc3cc(Cl)cc(Cl)c3 -MOL_01_028554,CCCc1cc(=O)oc(c12)cc(c(Cl)c2)CCC(=O)N3CCCCC3 -MOL_01_028555,CNCCCc1ccc(Cl)cc1C(=O)Nc(c2)ccc(c23)C=CC3 -MOL_01_028556,OCc(c1)c(CO)cc(c12)c(c(C)nc2CC)CCC(N)CO -MOL_01_028557,NCc1ccc(cc1)-c2cc(ccn2)Cc3cc(N)cc(c3)CN -MOL_01_028558,Clc1cc(ccc1)NC(=O)C(=O)NCC(N2CCCCC2)c(c3)ccc(c34)CCC4 -MOL_01_028559,c1cccnc1CNC(=N)c2ccc(cc2)CC3CCN(CC3)Cc4ccccc4 -MOL_01_028560,Oc1ncnc(c12)cc(cc2)N3CCCCC3 -MOL_01_028561,c1ccccc1C(C)(C2CCCC2)C(N)NC3CCN(CC3)Cc4ccccn4 -MOL_01_028562,CCCC(=O)CC(C1=O)=NC(=O)c(c12)ccc(c2)C -MOL_01_028563,Clc1ccccc1CC(C)C(O)Nc2cc(C(C)(C)C)ccc2-n3cncn3 -MOL_01_028564,Clc1cnn(c1)CN(CCC2)C(N)c(c23)cc(cc3)-c4ccc(CC(F)(F)F)cc4 -MOL_01_028565,c1cccc(c12)ccnc2C(=N)N3CCNCC3c4ccc(CN)cc4 -MOL_01_028566,NCc1ccc(cc1)C2CCC(CC2)c3ncc(C(N)CN)c(c34)cccc4 -MOL_01_028567,CC(=N)NC(C)c1ccc(cc1)CC2CN(C2)c3ccc(cn3)-c4ccccc4 -MOL_01_028568,CCCCC(=O)Nc1cc(C)cnc1CN -MOL_01_028569,N1CCCNc(c12)ccc(c2)C(=N)N3CCCC(C3)n4ccnc4 -MOL_01_028570,C1CCCCc(c12)nc(nc2C(C)(C)C)C3CCC(N)CC3 -MOL_01_028571,NCc(c1)c(CN)cc(c12)CCN(C(=C)C)C2CCc3ccccc3 -MOL_01_028572,CCCC(=O)CCCn(c1=O)cc(N)c(c12)cc(CC)c(c2)CC -MOL_01_028573,c1cccc(c12)ncn2C(N)CC3CCC(CC3)c4ccccc4 -MOL_01_028574,Nc1c(N)nc(n12)c(ccc2N)CCc3ccccc3 -MOL_01_028575,c1ccccc1Cn2nc(C(C)(C)C)cc2C(O)NNC(O)Nc3ccccc3 -MOL_01_028576,NCCCOc(c1)ccc(c12)C3=C(CC2)C=CC3=O -MOL_01_028577,CCCCc1ccc(Cl)cc1C(O)N2CCC(CC2)n3cncn3 -MOL_01_028578,COCOCCn1cnc(c1)CN2CCCN(C(C)C2=O)Cc3ccc(cc3)-c4ccncc4 -MOL_01_028579,NC(N)c1cccc(c1C)NCCCCc2cccc(c2)CN -MOL_01_028580,Nc1ncc(cn1)-c2ccc(cc2F)-c3cccnc3CCCN4CCCCC4 -MOL_01_028581,NCc(cc1)cc(c12)NC(=C(C2)NC)c(c3)ccc(c34)CNC4 -MOL_01_028582,CN(C)Cc1cc(ccc1C)NC(=O)c2cc(CC)c(cc2)CCC(=O)N3CCCCC3 -MOL_01_028583,OCc1ccc(C(O)O)cc1CCn2cnc(c23)C(O)CC=CC3 -MOL_01_028584,CCCCCCCc1cccc(c12)n3c(nc2)ncn3 -MOL_01_028585,CC(C)(O)CCC(N)CC(C)c1ccc(cc1)-c2ccccc2 -MOL_01_028586,Cc1ccc(cc1)-n2cnc(c2)C(=O)Nc3ccc(cc3)C4CNCCO4 -MOL_01_028587,Oc(n1)ccc(c12)cc(cc2)CCC(O)CNCc3ccccc3 -MOL_01_028588,C1CCCc(c12)n(nc2C(C)(C)C)CC(=N)CCCN -MOL_01_028589,N=C1N=NC(=N)C1c(c2)ccc(c23)c4c(C3CC(=N)C(F)(F)F)cccc4 -MOL_01_028590,N=C(N)c1ccccc1-c(c2)ccc(c23)c4c(C3(N)C(F)(F)F)cccc4 -MOL_01_028591,CCN(CC)Cc1cc(ccc1C)NC(O)CN2CCN(CC2)c3ccccn3 -MOL_01_028592,CCc1ccc(cc1)C2CC(=N)Nc(c23)cc4c(c3)NCN4 -MOL_01_028593,NCc(c1)c(CN)cc(c12)C(CCC(C2)(C)C)CCN3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_028594,COCCNC(=O)c1ccc(C)c(c1)NC(=O)C2=C(C)OCCC2 -MOL_01_028595,CCc1ccc(cc1)CNC(=O)CN(c2cc(C)cc(C)c2)Cc3c(C)nc(C)nc3C -MOL_01_028596,CCC(N)NCCc(c(n1)C)cc(c12)cc(C)c(c2)C -MOL_01_028597,Cc1cccc(c12)N(O)N=C(N2O)NC3CCC3 -MOL_01_028598,Clc(c1)cccc1Cc(c(n23)cc(c2)C(N)O)nc4c3cccc4 -MOL_01_028599,Cc1ccc(C)c(c1)NC(O)c2ncn(c2N)Cc3cccc(c3)ON -MOL_01_028600,Cc1ccc(c(Cl)c1)C(N)Cc(n2)cc(N)c(c23)cccc3 -MOL_01_028601,CC(C)Cc1ccc(cc1)C2CC(=N)N(C2=N)c3ccccc3 -MOL_01_028602,CCC(CC)C(O)NCCc(c(n1)C)cc(c12)cc(C)c(c2)C -MOL_01_028603,Cc(n1)cc(C)c(c12)c(O)nc(n2)CCC(=O)CCc3ccccc3 -MOL_01_028604,CCCc1cccc(c1)-c2nc(N)nc(C)c2Cl -MOL_01_028605,NCCc(c1)ccc(c12)nc(c(c2)N)NCCNC(N)C3CC3 -MOL_01_028606,CC(C)(C)c1ccc(cc1)CNC(=N)Nc2cccc(c23)cncn3 -MOL_01_028607,CCC(O)c1c(C)c(C)c(C)c(C)c1O -MOL_01_028608,Cc1ccc(cc1)CCCCC(=O)Nc2ccc(cc2)CNc3cc(C)nc(n3)C -MOL_01_028609,c1ccccc1CCNC(=O)c2cccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_028610,c1cc(C)ccc1C(c(cc2)ccc2C)NCCN3CCCC(C3)C(N)N -MOL_01_028611,Cc1ccc(cc1)NC(=N)c2cnc(n(C)c2=N)CCC(=N)c3ccccc3 -MOL_01_028612,c1cccc(c12)ccc(c2O)CC(O)CC3CCCC3 -MOL_01_028613,NCc1cccc(c1)C(C(O)N2)(c(c23)cccc3)c4ccccc4 -MOL_01_028614,CCc1cc(C(=O)C)c(C)cc1CCc2cccc(n2)C(=O)NC3CCC(=O)C3 -MOL_01_028615,CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c23)C(=O)N=NC3=O -MOL_01_028616,NCCC(=O)c1nnc(CCCO)c(n1)CCCCc2c(F)c(F)c(F)c(F)c2F -MOL_01_028617,Nc1ccnc(n1)Cc2ccccc2-c3ccc(nc3)-c4cnc(N)nc4 -MOL_01_028618,CC(C)c1cccc(c1CCC)NC(N)c2cccnc2Cl -MOL_01_028619,CCCc1c(NCC(=N)N)ccc(C(C)=N)c1N -MOL_01_028620,CCc(c1)ccc(c12)C(O)N(C2)c3cc(Cl)ccc3C(C)O -MOL_01_028621,c1cccc(c12)CN(C2)CC(C)CNC(=O)CCc3cccc(c34)cccn4 -MOL_01_028622,Cc1cc(C)c(c(C)c1)Cc2nc(cn(c23)ccn3)Nc4ccc(CN)cc4 -MOL_01_028623,c1ccc(C)c(c12)nc(cc2C)CCC(=O)NCCN3C(=O)CCC3=O -MOL_01_028624,c1nccnc1-c2nc(O)c(O)c(n2)C(O)CCC3CC3 -MOL_01_028625,CC(C)c(c1)ccc(c12)C(C(=C(C2)C)CN)c3cc(N)c(CN)c(c3)CN -MOL_01_028626,c1cccnc1-c2cc(N)n(n2)CC3CCCCC3N -MOL_01_028627,Fc1ccc(cc1)CNC(=O)CCN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_028628,CCOC(O)C(C)Cc1nc(C)nc(c1CO)OCC2CCCCC2 -MOL_01_028629,FC(F)(F)c1cc(F)ccc1N2CC(C)N(CC2)Cc3ccc(C(=O)N)cc3 -MOL_01_028630,c1ccccc1CN(C)C2CC(=N)N(C2=N)c3ccc(cc3)C(=N)CN -MOL_01_028631,NCc(c1)ccc(c12)cc3c(c2N)c(N)nn3-c4cccc(N)c4 -MOL_01_028632,CC(C)(C)c1ccc(Cl)c(c1)C(O)NC2CCC(CC2)CNc3cc(Cl)cnc3CN -MOL_01_028633,c1cccc(c12)C(=N)N(C)C2C(=N)NCc3ccc(Cl)cc3Cl -MOL_01_028634,Cc1ccc(cc1C)NC(O)Cn2nnc(c2N)C(O)NCc3ccccc3 -MOL_01_028635,Oc1ccc(cc1)C(C2(C)C)C(C(C)(C)N2O)c3cc(O)cc(O)c3 -MOL_01_028636,CC(C)(C)c1ccc(cc1)CC(N)C(=N)N2CCCC2CN -MOL_01_028637,NCc1ccc(cc1CN)Cc2nnc(n2-c3ccc(F)cc3)CCc4c(F)cccc4F -MOL_01_028638,NCc(c1)ccc(c12)CC(C)(C)CC2NC(=N)c3ccc(F)cc3 -MOL_01_028639,Cc1ccc(cc1C)NC(N)C2(C)CCN2Cc3cccc(c34)CCC4 -MOL_01_028640,c1cccc(C(N)N2C)c1CC23C=Cc4c(C3)c(CN)ccc4 -MOL_01_028641,c1nccc(c12)CC(C2)C(=O)Nc3ccc(cc3)C(=O)C4CCCCC4 -MOL_01_028642,c1ccccc1CNC(=N)N2CCC(CC2)C(N)(c(c3)ccc(c34)NCN4)c(c5)ccc(c56)NCN6 -MOL_01_028643,NCCCC(C)c(c1)cnc(c12)ccc3c(c2=N)cc(cc3)NCN -MOL_01_028644,NCc1ccc(cc1)C(C(=C(C)C2)C(Cl)CN)c(c23)c4c(cc3)cccc4 -MOL_01_028645,FC(F)(F)c1cc(ccn1)C(O)Nc2ccc(c(F)c2)C3CCCNC3 -MOL_01_028646,c1ccccc1-n2nc(N)c(c2Cl)C(N)Nc3ccc(C(N)N)cc3 -MOL_01_028647,O=C1CCCN1CCCNC(=O)c2ccc(Cl)c(c2)CN3CCCCC3 -MOL_01_028648,C1NCc(c12)ccc(c2)C(=C)N3CCC(CC3)c4cc(nc(Cl)n4)Cc5ccc(CN)cc5 -MOL_01_028649,Cc1cc(C)nc(n1)N2CC=CC2C(O)NCc(c3)ccc(c34)CCC4 -MOL_01_028650,Cc1cccc(C)c1C(=O)CC(=O)CC2c(cccc3)c3c(c24)cc(N)cc4 -MOL_01_028651,NCc(n1)cc(=O)n(c12)CCCC2 -MOL_01_028652,Nc1c(C)c(N)c(C)c(c12)CCC(C2N)Cc3ccc(CN)cc3N -MOL_01_028653,Clc(c1)ccc(c12)CCC(=C2C)C(=O)Nc3ccccn3 -MOL_01_028654,NC(N=1)=NC(=O)C(C12)=NC=C2Cc3ccccc3 -MOL_01_028655,NCC(=N)C(=N)N1CCCC1C(=N)NC(Cc2ccccc2)C(=N)CCc3ccccc3 -MOL_01_028656,CCc1ccc(cc1)Cc2c(Cl)cnn(c2=O)-c3cccc(c3)CN -MOL_01_028657,CC(C)CCCC(=N)c1c(N)ccc(c12)cc3c(n2)cccc3 -MOL_01_028658,c1cccnc1CNC(=C)c2ccc(cc2)CC3CCN(CC3)Cc4cccc(CN)c4C -MOL_01_028659,c1ccncc1NC(=O)C2CN(C2)C(=O)c(c3)ccc(c34)CCC4 -MOL_01_028660,Cc1ccc(CN)c(c1)C(C(C)N)N2CCN(CC2)Cc3ccccn3 -MOL_01_028661,NOc1ccc(cc1)Cc2nnc(n23)CCC(=C3)c4ccc(F)cc4 -MOL_01_028662,c1cccc(c12)C(=N)N(C2=N)Cc3ccc(cc3)CCN4CCN(CC4)c5ccccc5CN -MOL_01_028663,c1cccnc1C(N)N(CC23CCCCC3)Cc4c(C2)cccc4 -MOL_01_028664,C1CN(C)C(=O)C1(C)CCc2cccc(c2)-c3ccnc(n3)C(=O)N -MOL_01_028665,CNC1CC(N(C)N(C)N1C)c2ccc(Cl)c(c2)Cc3ccc(cc3)CNN -MOL_01_028666,CN(C)C1CCC(CC1)NC(=N)C(Cc2ccc(Cl)cc2)NC(=N)Cc3ccc(F)cc3 -MOL_01_028667,Cc1nc(C)c(CN)c(n1)-c2ccccc2 -MOL_01_028668,c1cccc(c12)CC(O)CN2CC(O)N3CCCCC3 -MOL_01_028669,Cc1ccc(cc1C(C)(C)C)-c2ccnc(n2)C(=N)O -MOL_01_028670,Cc1cc(F)cc(C)c1N2CCN(C(N)C2N)Cc3ccc(Cl)cc3Cl -MOL_01_028671,NCC(=O)c1ccccc1CN2CCN(CC2)C(=O)CCc3ccc(Cl)cc3 -MOL_01_028672,CCC(CC)c1c(C)c(c(N)c(C)c1N)-c2ccccc2 -MOL_01_028673,C1CCCCC1N(C)CCCNC(N)c(c2)ccc(c23)n(C)c(N)c3N -MOL_01_028674,Cc1c(N)c(N)c(Cl)c(c12)C(CNCC2)c3ccc(N)cc3 -MOL_01_028675,C1=CC(N)C=CC12c3c(CC(CC2)C(N)C(F)(F)F)cc(CN)c(c3)CCc4ccccc4 -MOL_01_028676,CCCNC(N)CCc1nc(CCC)cc(n1)Nc2cccc(C)c2C -MOL_01_028677,NCc(cc1)cc(c12)C(C(C)C(C2)(N)N)Nc3ccccc3 -MOL_01_028678,COc1ccccc1-n2cnnc2CCC(=O)Nc3cccnc3Cl -MOL_01_028679,CCCNC(=O)CCc1nc(CCC)cc(n1)Nc2cccc(C)c2C -MOL_01_028680,C1CCc(c2)c1cc(c23)CC(C)(Nc4ccccc4)CC3c5cc(CN)c(CN)c(c5)CN -MOL_01_028681,Fc1ccccc1NC(N)CN2CCC(CC2)C(N)c(c3)ccc(c34)CCCC4 -MOL_01_028682,Clc1ccc(cc1)C(N)CCC(N)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_028683,Cc(c1)ccc(c12)nc(nc2Cl)C(Cl)CCc3cccc(c3)CN -MOL_01_028684,CCc1cccc(c12)N=C(c3ccccc3)CC2CCC(=O)NC -MOL_01_028685,c1ncnn1-c2ccc(cc2N(C)O)C(O)Nc3ccc(CN)cc3 -MOL_01_028686,Cc1ccc(C)c(c12)C(N)C(=C(Cl)C2N)CCCCCCCN -MOL_01_028687,COc1ccc(cc1Cl)CCc2ncnc(c23)cc(OC)c(c3)CO -MOL_01_028688,CC(C)c1ccc(cc1)-c2ccc(c(c2)C(=N)N)NC3CCN(CC3)C(=N)C(N)C(C)C -MOL_01_028689,CC(=O)N(C)c1ccc(cc1)CNc2ccc(c(c2)CN)Oc3ccc(Cl)c(C(F)(F)F)c3 -MOL_01_028690,CCCCCCCCN(C1)CC(N)N(C12)CCc3c2cc(CN)c(c3)CN -MOL_01_028691,Nc1ccccc1C(O)c2cn(nn2)-c3cccc(c3)C(O)O -MOL_01_028692,NCc1ccc(cc1)C(N)Cc2ccc(cc2F)-c3cccnc3 -MOL_01_028693,c1nccnc1C(=O)Nc2cc(CC)c(cc2)NC(=O)c3ccccc3Cl -MOL_01_028694,C1CCCCN1c2cc(C(N)N)nc(c2)-c3ccc(cc3)Cc4ccc(F)cc4 -MOL_01_028695,NC(N)c1ccccc1CCC(N)N2CCCc(c23)cccc3 -MOL_01_028696,COc1cccc(c1)Cc(nc(c23)cccc3)c(n2)CCC(N)NCCc4ccccc4 -MOL_01_028697,CCCC1=C(CC)C(=NC(C)N1)C(N)Nc2c(C)cccc2C -MOL_01_028698,C=CCn1c(CC(C)CC)nc(O)cc1=O -MOL_01_028699,COc1ccc(cc1OC)CCCC(=O)NCC(C=N2)=C(C2=3)C(=O)N=C(N3)N -MOL_01_028700,CC(C)CC(N(C)C)CNC(=O)c1cccnc1Cc2cccnc2 -MOL_01_028701,c1ccncc1CNC(N)CCCCCc2cn(cn2)-c3ccccc3-c4ccccc4 -MOL_01_028702,NCCC(O)N(C1)CCc(c12)ccc(c2)NC(O)c3ccc(C(F)(F)F)cc3 -MOL_01_028703,Cn1cnnc1CC(c2ccccc2)C(=O)Nc3ccc(F)cc3 -MOL_01_028704,NCc1ccc(cc1)C(=N)Nc2ccc(cc2)C3(CCCC3)C(=N)Nc4ccc(CN)cc4 -MOL_01_028705,FC(F)(F)c1cc(ccc1Cl)NC(N)CCC(N)c2ccc(CO)c(CO)c2CO -MOL_01_028706,Cc1cnccc1C(=N)N(C(C)CN2C)Cc(c23)cccc3 -MOL_01_028707,Cn1cccc1C(O)N(CC2)CCC23CCCN(C3)C(O)Nc4cccc(c4)CN -MOL_01_028708,n1nc(N)cc(c12)CN(CC2)C(O)c3ccc(cc3)Cc4cccnc4 -MOL_01_028709,Cc1nc(C(C)(C)C)ccc1C(N)Nc(n2)ccc(c23)cccc3 -MOL_01_028710,c1cccc(c12)CCN(C2)CC(C)CNC(=N)C(C)Cc3cccc(c34)cccn4 -MOL_01_028711,COc1c(OC)cc(cc1OC)C(O)CCCCC(O)c2cnccn2 -MOL_01_028712,N=C(N=1)C=c(c12)c(ccc2C)C(C)CNCCc3ccc(cc3)CNCCc4ccccn4 -MOL_01_028713,OCCCc1nc(c2n(c13)cnn3)cccc2 -MOL_01_028714,c1cnnn1CCCC(C)N(Cc2ccc(Cl)cc2)c3cc(Cl)ccc3CO -MOL_01_028715,Nc1ccc(C(=O)O)cc1CC(=O)C(N)Cc2ccc(cc2)CCc3ccccc3 -MOL_01_028716,NCC(O)C(=C1CC)C=C(C1=2)C(=CC2)c3ccc(C)cc3 -MOL_01_028717,c1cccnc1-c2nc(N)c(N)c(n2)CCCc3ccccc3 -MOL_01_028718,c1cccc(c12)nc(nc2C)CCCN3CC=C(CC3)c4ccccc4CN -MOL_01_028719,CCOc1ccccc1C(N)Nc(cc(c23)N(C)C(N)=C(N)N3C)c(c2)N4CCC(C)CC4 -MOL_01_028720,CCc1ccc(c(n1)CC)NCc(c2)ccc(c23)n(C)c4c3ccc(c4)N -MOL_01_028721,NCC(O)CN(C(O)CCN1)Cc(c12)cc3c(c2)CCC3 -MOL_01_028722,NC(N)C(CN1)C(=N)c(c12)ccc(n2)NNc3ccccn3 -MOL_01_028723,C1CCc(c12)c(cc(Cl)c2N)C(=O)CCCN3CCCCC3 -MOL_01_028724,CCCC(=O)C1=C(C)CC(N)=C(CN)C1c2cccc(C)c2 -MOL_01_028725,COCCn1ccnc1C(c2ccccc2)N3CCN(CC3)Cc(c4)ccc(c45)OCO5 -MOL_01_028726,c1cccc(c12)c(nnc2C)-c3ccc(cc3)C(O)CN -MOL_01_028727,CC(C)c1ccc(cc1)C(C2)=CC(C23)C(=N)c4c(C=C3)cc(CN)c(c4)CN -MOL_01_028728,CC(=O)Nc1cccc(c1)NC(=O)CCc2cccc(c23)c(=O)n(cc3)CCCN -MOL_01_028729,c1cccc(c12)Nc3c(C2)nc(nc3C)N4CCN(C)CC4 -MOL_01_028730,CCc1cccc(c1)CNC(O)n(c2O)cc(c23)nccc3 -MOL_01_028731,CCn1cc(C(=N)N)c(=N)c(c12)cccc2C -MOL_01_028732,Clc1ncnc(c12)ncn2C(CC3)CCc(c34)cccc4 -MOL_01_028733,C1CCCCN1CCNC(O)CCC(O)N2CCCc(c23)cccc3 -MOL_01_028734,NCCC(=N)Nc1ccc(cc1)C(=N)CCC(=N)NC2CCCc(c23)cccc3 -MOL_01_028735,C1CCCNC1C(C(=N)CN)c2ccc(cc2)-c3ccccc3 -MOL_01_028736,NOc(c1)ccc(c12)cc(c(n2)N)CNC3CCN(CC3)Cc4ccccc4 -MOL_01_028737,c1ccc(c2c13)C(=N)N(C(=N)c2ccc3)CCCN(c4ccc(CN)cc4)C(=N)c5ccncc5 -MOL_01_028738,NCCNCCCCCNc1cc(CN)cc(c12)cccn2 -MOL_01_028739,c1cccc(c12)C(N)C(N)C(=C2C)C3CCC3 -MOL_01_028740,c1ccc(C)c(c12)C(O)C(=C(C)C2O)NCCCN3CCN(CC3)CCCN -MOL_01_028741,c1cccc(c12)c(=O)nc(n2C)CCC(=O)CCC(=O)Cc3ccc(cc3)Cc4ccccc4 -MOL_01_028742,CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Cc3ccc(C(F)(F)F)cc3 -MOL_01_028743,c1ccccc1CCc2nc(C)cn(c23)cc(c3)C(N)N4CCOCC4 -MOL_01_028744,CN(O)c1ccn(n1)CC(O)N(C2)CCc(c23)cccc3 -MOL_01_028745,NCc1cccc(CN)c1C2CCC(=C)C2Cc3cccc(n3)C4CCCCC4 -MOL_01_028746,CCN(CC)CCNC(=O)c1ccc(Cl)c(c1)CNc2ccccc2CN -MOL_01_028747,Cc1cc(CCN)c(CN)c(n1)NC(CC2(C)C)CC(N2)(C)C -MOL_01_028748,CCCCc1cccc(c1)-c2nc(C)nc(O)c2Cl -MOL_01_028749,Cc(c1)ccn(c12)c(c(n2)C)C(O)CCCOc3ccccc3CF -MOL_01_028750,c1ccccc1-n2ncc(CN)c2NC(O)C(O)NCCc3ccccc3 -MOL_01_028751,Cc1nccc(n1)-c2cc(ccc2O)C3CCC(O)CC3 -MOL_01_028752,NCc1cc(ccc1F)CN2CCCC(C2)C(N)Nc3ccccc3Cc4cccnc4 -MOL_01_028753,c1cccc(c12)ncn2CC(C)CCc3ccc(CN)cc3 -MOL_01_028754,CCCc1ccc(cc1CCC)NC(N)CN(C)C(N)c2cccnc2CC -MOL_01_028755,FC(F)(F)c1cc(ccc1)N(CC)C(N)Cn2c(N)cc(c23)cccc3 -MOL_01_028756,CCc1cccc(n1)NC(=O)c2cc(cc(n2)C)Cc3cncc(F)c3 -MOL_01_028757,c1ccccc1CNC(=N)C(Cc2ccccc2)NC(=N)n3nnc(c34)cccc4 -MOL_01_028758,CCCC(N)NCc1cncc(c1)-c2ccc(F)cc2CN -MOL_01_028759,c1ccccc1CN(CC)CC(O)CCc(c2)ccc(c23)nc(O)cc3 -MOL_01_028760,Cc1cccc(c1)CNc2ccc(cc2NF)C(CC(N)N)NC(N)Cc3cccc(c34)cccc4 -MOL_01_028761,CCC(N)N1CCC(CC1)Cc2ccc(cc2)CNC(N)N(C3)Cc(c34)ccnc4 -MOL_01_028762,Cc1cc(C)c(c(C)c1)Cc2cn(C)c(=O)c(n2)Nc3ccc(CN)cc3 -MOL_01_028763,CCCC(=O)C1C(C(=O)CCC)C12c3c(CC2=O)ccc(CF)c3 -MOL_01_028764,Cc1ccc(cc1)Cc2ncnc(c23)n(cc3)CN -MOL_01_028765,Cc(c1)c(=O)ccc(c12)c3c(CCC2NC)cc(CN)c(CN)c3CN -MOL_01_028766,c1cccc(c12)CN(C(C)=N)C(C2)C(=N)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3 -MOL_01_028767,Fc1ccc(cc1)NC(=O)CCCN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_028768,COC(=O)CC(C1=O)=c(cccc2)c2=C(C1=3)C=CC3 -MOL_01_028769,c1cccnc1CCNc2ccc(c(c23)C(N)c4c(C3N)cccc4)NCCc5ccccn5 -MOL_01_028770,c1cccc(c12)C(N)c3c(C2N)c(N(C)CCN(C)C)ccc3N(C)CCN(C)C -MOL_01_028771,Clc(c1)ccc(c12)c(C)c(c(N)c2C)C(N)C(C)c3ccccc3 -MOL_01_028772,c1ccccc1C(C2N)=NCC23CCN(CC3)Cc4cccc(Cl)c4 -MOL_01_028773,NCc1ncc(cc1)N(CC)C(O)N2CC(C2)Cc3ccc(F)cc3Cl -MOL_01_028774,NCc1ccc(cc1)CCc2nnc(CC3CCCC3)n2-c4cccnc4 -MOL_01_028775,NCc1ccccc1C(c2ccccn2)NC(=N)C3CCN(CC3)CCCc4ccc(CN)cc4 -MOL_01_028776,C1CCCCN1CCC(=N)Nc(c2)ccc(c23)n(c4c(c3=N)cccc4)Cc5cc(CN)cc(c5)CN -MOL_01_028777,c1cnccc1CNc2cc(CN)c(CN)cc2C(O)Nc3ccccn3 -MOL_01_028778,Nc(c1)ccc(n12)nc(C(N)(N)N)c2Cc3cccc(Cl)c3 -MOL_01_028779,c1ccccc1CN(C)Cc2cccc(c23)nc(nc3O)C(O)NCc4cccc(c4)CN -MOL_01_028780,c1cccc(c12)c(cc(n2)C)CN(C(=N)CCl)c3ccccc3N -MOL_01_028781,c1cc(F)cc(c12)CCC(CC(=O)CC)C2C(=O)c(c3)ccc(c34)CCC(=O)C4 -MOL_01_028782,CCc1cc(C)cc(CC)c1C(C2=N)C(=N)N(N23)CC4CCC(C3)N4 -MOL_01_028783,Cc1cc(C)cc(c1)Cc2c(N)c(N)nc(C)c2CCCCCN -MOL_01_028784,CCc(c1)ccc(c12)CCCN(C2)C(=N)CCN3CCC(CC3)Cc4ccc(N)cc4N -MOL_01_028785,CCc1cccc(c1)C(O)Nc(c2)ccc(c23)n(c(c3)O)CC -MOL_01_028786,NCCC(=O)c(c1)ccc(c12)ncnc2CCc(c3)ccc(c34)CCC4 -MOL_01_028787,CCC(O)CCc(c1F)c(F)c(N)c(c12)c(O)cc(c2)-c3ccc(N)c(F)c3 -MOL_01_028788,c1ccccc1C(=N)C(C(=N)CC2(C)C)=C(C2)Nc3ccc(CN)cc3 -MOL_01_028789,CC(C)C(N)CCc(n1)nc(n12)nc(N)cc2N -MOL_01_028790,c1ccccc1-n2c(nnc2N)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_028791,Nc1ccc(cc1)-c(c2)ccc(c23)c4c(C3(N)C(F)(F)F)cccc4 -MOL_01_028792,c1ccccc1CCNC(=N)C(C=2)=CC(C23)=C(N=N3)c4ccccc4 -MOL_01_028793,c1ncccc1CC(CC2)CCc(c23)ncnc3C4CCOC4 -MOL_01_028794,CCn1ncc(c1C)CN2CCCC(C2)C(N)c3cccc(c3)CC(C)C -MOL_01_028795,CCCCOC(O)c1cccc(c12)nc3c(n2)c(NF)cc(NF)c3N -MOL_01_028796,Fc1cc(ccc1)CCC(C)(CN)NC(=O)c2ccc(CC(F)(F)F)cc2 -MOL_01_028797,Fc1ccc(cc1)NC(O)CCc2n(CC)c(nn2)CNC(O)c3ccc(OC)cc3 -MOL_01_028798,CCC(=O)CCc1nc(CC2CCCCC2)n(C)c1CCC(=O)CC -MOL_01_028799,CCCC(=O)c1c(C)nc(-c2ccccc2)nc1CC(=O)CC -MOL_01_028800,FCCCc1c(CN)c(ccc1)C(N)C2CCN(CC2)CCc3ccc(F)cc3 -MOL_01_028801,Clc1cc(ccc1)C2CC(=N)N(C2=N)CN3CCN(CC3)C4CCCCC4 -MOL_01_028802,NCc1ccc(cc1)CCNc2cc(nc(n2)CN)CCc3ccccc3CN -MOL_01_028803,CC1(C)CC(C=N1)CN(CC2N)CC2(c3ccccc3)c4ccccc4 -MOL_01_028804,c1ccccc1N(C(=N)CC)C2(C(=N)CCCF)CCN(CC2)CCc3ccccc3 -MOL_01_028805,CCCN(C=1O)N=Nc(c12)cc=3c(c2)N=NN(C3O)C(C)Cn4ncnn4 -MOL_01_028806,c1cccc(c12)CCCC2NC(=N)CCC(=N)c3cccnc3Cl -MOL_01_028807,C1CCCCN1CCNC(=O)CN(CC2)C(=O)CCC23CC(=O)c4c(C3)cccc4 -MOL_01_028808,OC1CCC(=N1)N2N=C(C)CC2c3ccccc3 -MOL_01_028809,FC(F)(F)c1ccc(cc1)C(=N)CCC(=N)N2CCCc(c23)cccc3 -MOL_01_028810,NCc1ccc(cc1C)-c2c(CCC3=O)c3cc4ccc(c5c24)CCC5 -MOL_01_028811,CCc(n(n1)C)c(c12)ccc(c2)C(=O)NC -MOL_01_028812,c1cnccc1N2CCC(CC2)C(N)N3CCN(CC3)Cc4ccc(F)cc4 -MOL_01_028813,NCc1ccc(cc1)Cc2c(Cl)cnn(c2=O)-c3cc(N)cc(N)c3 -MOL_01_028814,CCOc1ncccc1NC(=N)CN(Cc2ccc(C)cc2)c3ccccc3OC -MOL_01_028815,Fc1ccc(cc1)CC(C)(C)NCC(=N)N2C(CN)CCC2CN -MOL_01_028816,NCc1ccc(cc1)NC(O)c2cccnc2N3CCCCC3 -MOL_01_028817,Cc(n1)ccc(c12)cc(cc2)CN3CCCC(C3)C(=O)Nc4ccc(CN)cc4 -MOL_01_028818,Cn1c(N)nnc1CC2CCCN(C2=O)c3ccccc3 -MOL_01_028819,C1CCc(c12)cccc2-c3cnc(N)c(c3)-c4ccc(C(N)N)cc4 -MOL_01_028820,CCN(CC)C(N)CCn1cc(nn1)C(C)c(c2)ccc(c23)CC(C)(C)C=C3 -MOL_01_028821,NOc1ccc(cc1)Cn2ccc(c23)ccnc3Nc4ccccc4 -MOL_01_028822,Cc1cc(N)ccc1Cc2ccnc(c23)cc(CN)c(c3)CN -MOL_01_028823,NCC(N)c1cccc(n1)-c2ccc(cc2)Nc3ccc(C(F)(F)F)cn3 -MOL_01_028824,Oc1ncc(c(n1)O)CN2CCCc(c23)cccc3 -MOL_01_028825,Cc1cc(F)ccc1C(CC(C2)C(=O)O)=Nc(c23)ccc(F)c3 -MOL_01_028826,O=c1ccc(cn1C)C(=O)NC(N)c2ccc(c(F)c2)CCC3CC3 -MOL_01_028827,NCc(c1)ccc(c12)CCC(C2)C(=N)NCCCN3CCN(CC3)c4ccccc4F -MOL_01_028828,NCc(c1)c(CN)cc(c12)CCCCC2CCN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_028829,CC(C)(C)CC(=O)N1CCC(CC1)C(C(=O)C)NCc2ccc(cc2)-c3ccc(F)cc3 -MOL_01_028830,NC(=O)c1ccc(cc1)-c2cc(cnc2N)-c3cccc(c34)CCC4 -MOL_01_028831,CCc1cccc(c1)-c2cc(CC)c(CN)c(n2)O -MOL_01_028832,c1cccc(c12)n(cc(c2=N)C(=N)N)CCc3ccccc3 -MOL_01_028833,Nc1ccccc1C(Nc2c(Cl)cc(N)cc2)C(N)CCc3ccncc3 -MOL_01_028834,c1ccccc1C(C)NC(=O)CCC(=O)c2cc(ccc2F)CN3CCCCC3 -MOL_01_028835,CCCCc1ccc(cc1)C(=N)N2CCC(CC2)c3nccn3C(N)N -MOL_01_028836,CCOC(O)N1CCN(CC1)C(O)n2nnc(c23)cccn3 -MOL_01_028837,Cc1ccc(cc1)CNC(N)CCCN(C(N)CC2)c(c23)cc(C)cc3 -MOL_01_028838,CC(C)(C)CC(=O)Nc(c1)ccc(c12)CCN2CN -MOL_01_028839,C1COCCC1c(nc2N)cc(c23)c4c(cccc4)c(c3)OCc5ccccn5 -MOL_01_028840,CCNC(=C)Nc1ccc(cn1)C(=C)Nc2cccc(c2)CC -MOL_01_028841,CC(=O)NCC1CC(=O)N(C1)c2ccc(c(F)c2)-n3ccc(c3)C(C)C -MOL_01_028842,Fc1cccc(C(=N)C2)c1CC23CCN(CC3)C(=N)Nc4ccc(CC(F)(F)F)cc4 -MOL_01_028843,Clc1cc(Cl)ccc1C(O)CC(CCN)CNc2ncc(C(F)(F)F)cc2Cl -MOL_01_028844,CC(=O)Nc1ccc(cc1)CNc2ccc(c(c2)CN)N(C)c(c3)ccc(c34)cccc4 -MOL_01_028845,Fc1ccc(cc1)Cc2nc(N)c(O)c(n2)C(N)CCc3ccc(F)cc3 -MOL_01_028846,Cc1ccc(C(C)(C)C)cc1NC(O)c2cccc(N)c2C(O)NC(C)(C)NCN -MOL_01_028847,Cc1cc(N)nc(n1)NCCNC(N)c2ccccc2N3CCCC3 -MOL_01_028848,c1ccccc1N(CCCC)CCCNC(N)CN(C(N)CC2)c(c23)cccc3 -MOL_01_028849,FC(F)(F)Oc1ccc(cc1)C(CC)NC(N)c2cc(N)nc(c23)cccn3 -MOL_01_028850,Cc1ccc(cc1)NC2=C(C(O)NC2O)c3cccc(Cl)c3 -MOL_01_028851,N=C(N)c1ccccc1Nc2cc(ncc2C(F)(F)F)Cc3ccccc3CN -MOL_01_028852,c1cccc(c12)nc(OCCCC)c(n2)C(CN)Cc3ccccc3 -MOL_01_028853,C1CCCc(c12)cccc2C(N)N3CCCC3Cn4cccn4 -MOL_01_028854,C1CCCN1C(O)c2cc(CC)c(cc2)Nc3ncc(Cl)c(n3)CC -MOL_01_028855,c1cc(Cl)cc(c12)C(=O)CC(C(=O)C2C)NNc3ccccc3 -MOL_01_028856,n1cccc(c12)cccc2CN(C)Cc3cccc(c3)CCCNC(N)c(c4)ccc(c45)CNC5 -MOL_01_028857,CCCC(=O)N1CCC(CC1)c2nccnc2Cc3ccc(cc3)Nc4ccc(C)cn4 -MOL_01_028858,C1=CC=C(C1=2)N=C(N2)C(C)Cc3cc(ccn3)Oc4cccc(C(F)(F)F)c4 -MOL_01_028859,CCCC(=O)Nc1cc(C(=O)CCC)c(C)nc1C -MOL_01_028860,COCCNc1cc(ncc1CN)NC(O)N(C)c2cccc(n2)CO -MOL_01_028861,Clc1cc(Cl)ccc1C(=C)Cc2ccnc(c23)cc(CN)cc3CN -MOL_01_028862,Cc1nc(C(C)(C)C)cc(n12)nc(n2)CNc3c(Cl)cccc3Cl -MOL_01_028863,CCc1cc(c(CC)cc1Cl)NC(=O)C2CC=CCC2C(=O)C -MOL_01_028864,CCC(C1(C)C)CCC1(C)Cc2ccc(O)cc2O -MOL_01_028865,NNCNCn1c(nc(c12)cccc2)C3CCCC(C3)C4CNCNC4 -MOL_01_028866,CC(C)c1nccn1CC(CC2=N)CC2(c3ccccc3)c4ccccc4 -MOL_01_028867,CC(=N)c1ncccc1NC(=N)C2CCC(CC2)N(C3=N)C(=N)C4C(CC5)CC5C34 -MOL_01_028868,C=C1CCC(N12)C(N)(NCC2)c3ccccc3 -MOL_01_028869,Cc1nc(N)nc(c1N)-c2ccc(C(C)(C)C)cc2 -MOL_01_028870,CC(N=1)=NC(=O)C(C12)=NC(=C2)c3cccc(C)c3 -MOL_01_028871,N=C(N)CN(C1=N)CCc(c12)cc(cc2)NCCCCCCN -MOL_01_028872,Nc1ccccc1C2(CCCCC2)C(N)NCCN3CCCC(N)C3 -MOL_01_028873,NCc(c1)c(CN)cc(c12)CCN(C2)CCc3ccc(cc3)NC(N)CCc4ccccc4N -MOL_01_028874,c1ccccc1C2=C(C(=N)N)C(CC2)Nc3ccccn3 -MOL_01_028875,NC(N)c1cccc(c1)CC(CC23)CC(CC2)N3C4(CC4)c5ccccc5 -MOL_01_028876,CCCCCCCC(NC1N)Cc(c12)c(C)c(N)cc2N -MOL_01_028877,CC1(C)N(C)C(N)C(C1)c2ccc(cn2)CCc3cccc(F)c3 -MOL_01_028878,Cc1nn(C)c(C)c1CC(=O)NCc2cccnc2CC3CCCC3 -MOL_01_028879,ClC1=NNNC1NC(=C)Nc2ccc(Cl)c(c2C)CC(C)(C)NCC -MOL_01_028880,c1cccc(c12)nc(CC)c(n2)CCC(=O)NC(=O)Nc3ccccc3Cl -MOL_01_028881,c1ccccc1-c2c(F)cc(cc2)C(=N)C3CCCN(C3)Cc4cnn(c4)CN -MOL_01_028882,Cc1cccc(c1)CCC2=NCCN2C(=O)c3ccco3 -MOL_01_028883,Cc(n1)cn(c12)ccc(c2)N3CCC(CC3)CC(=N)N4CCN(C(C)C)CC4 -MOL_01_028884,CC(=N)c1ccc(cc1)NC(=N)C2(CC2(Cl)Cl)c3ccccc3 -MOL_01_028885,NCC(=O)c1ccc(cc1)C2C(Cc3ccccc3)C(=O)N2CCc4ccc(F)cc4 -MOL_01_028886,C1CCCC12CC(=N)N(C(C2)=N)CCCCN3CCN(CC3)C4CNc(c45)cccc5 -MOL_01_028887,CNc1nc(C)nc(n1)N2CCC(CC2)C(O)NCc3ccccc3CC(F)(F)F -MOL_01_028888,c1cccnc1-c2ccc(nn2)CCc3cccc(c34)non4 -MOL_01_028889,NOc1ccccc1NC(O)n2nc(N)c(c23)cccc3 -MOL_01_028890,c1cccnc1NCn2ccc(C)c(c2=N)Nc3c(F)cccc3Cl -MOL_01_028891,CCc1cc(N)c(Cl)cc1C(=O)NC(C2)CN(N23)CC=CC3 -MOL_01_028892,c1ccc(N)c(c12)ncc(c2C)C(N)NCc3ccc(F)cc3 -MOL_01_028893,C1CCCC1CCc2ccc(C)cc2NCc3nccc(n3)N -MOL_01_028894,CCC(=O)C(CC)CC(=O)c(c1Cl)cnc(c12)c(C)ccc2 -MOL_01_028895,c1ccccc1CC(=N)NCCCN(c2ccccc2)C3=NCc(c34)cccc4 -MOL_01_028896,CN(N)NCc(c1)ccc(c12)c3c(cccc3)n2Cc4cccc(c45)c(N(C)C)ccc5 -MOL_01_028897,CCn1c(C)nnc1CCCNC(O)c2cccc(n23)ccn3 -MOL_01_028898,CC(O)Nc1cccc(c1)Cc2nc(C(C)(C)C)nc(c23)cccc3 -MOL_01_028899,COc1cc(NF)c(OC)cc1CCc2nnc(C)n2-c3ccc(F)cc3 -MOL_01_028900,Cc(n1)nc(C)c(c12)c(N)c(cn2)CCc3ccccc3 -MOL_01_028901,c1ccccc1NC(=C)CN(C)Cc(c2)ccc(c23)N(C(=C)N)CCC3 -MOL_01_028902,CCC(C(C)=N)Cc1ccc(cc1)CCc(n2C)nc(c23)ccc(c3)CN -MOL_01_028903,NCc1cccc(c1)CNC(O)Nc2ccc(cc2)-c3ccnc(n3)N -MOL_01_028904,N1CCN=C1C2(CCN)Cc3cccc(CC4)c3C24 -MOL_01_028905,Cc1cc(C)nc(n1)N(C2(O)C(C)(C)C)N=C(C2)C(C)(C)C -MOL_01_028906,C1CCCCC1(N)C(=N)CCc2cccnc2Cc3c(N)cccc3N -MOL_01_028907,Cc1ccccc1-c2ccc(NN)c(c2)C3CCNC3 -MOL_01_028908,n1cccc(c12)ccc(c2C)C(=O)NCc3ccccc3 -MOL_01_028909,C1CCCCC1NC(=N)c2cccc(c2)CN3CCN(CC3)C(=N)n4nnc(c45)cccc5 -MOL_01_028910,C1CCCCN1c2nc(C(=O)N)c(cc2)CCCc3ccccc3 -MOL_01_028911,Cc1cc(F)ccc1NC(=O)CCn2nc(C)c(c2C)CN3CCCCC3 -MOL_01_028912,Clc1cccc(F)c1CCC(N)c2cccn2C(N)c3ccccc3 -MOL_01_028913,CCCC1C(=C)C(N)(N)Cc(c12)ccc(c2)C(=C)CC3NNNNN3 -MOL_01_028914,NCc(c1)c(CN)cc(c12)C(C)N(CC2)C(O)Cc3ccc(CN)cc3CN -MOL_01_028915,COc1ccccc1C2(c3c(OC)c(=O)c3=O)CCCCC2 -MOL_01_028916,c1ccnc(c12)c(cc(c2)CN)NCCCCCNCc3ccccc3 -MOL_01_028917,CCc1ccc(cc1CC)-n2ccnc(c2=O)CCC(=O)NC3CCCC3 -MOL_01_028918,Oc(c1)ccc(c12)nc(cn2)C3CCCCC3 -MOL_01_028919,NC(=O)C(C)NC(=O)c1ccccc1CC(=O)Nc2ccc(F)cc2 -MOL_01_028920,NCc1ccc(cc1C(F)(F)F)CC2(N(C(C)=N)CCC2)C(=N)CCc3ccccc3 -MOL_01_028921,CCc1ccccc1NC(N)c(c2)ccc(c23)nc(C)cc3N -MOL_01_028922,N=C(N=1)C=c(c12)c(ccc2C)C(C)CNCCc3ccc(cc3)CNCCc4ccccc4CN -MOL_01_028923,CC(=O)CCC(=O)c1ccc(nc1)NCc2ccc(cc2)CCCCN3CCCC3 -MOL_01_028924,Clc1ccc(cc1)Cn2c(C)c(C(C)N)c(c2C)CNCCCc3ccccc3 -MOL_01_028925,NCc1cccc(c1)NCc(c2)ccc(c23)CCC(=O)N3 -MOL_01_028926,CC1(C)CNCCC1NC(=O)CC2C(=O)NC=CN2Cc3ccc(Cl)c(Cl)c3 -MOL_01_028927,CN1CCN(CC1)c(nn2)cc(c23)Cc4c(N3)cccc4 -MOL_01_028928,NC(N)C(C)C(C)c1cccc(n1)-c2ccc(cc2)Cc3ccc(CN)cc3 -MOL_01_028929,Fc1cccc(F)c1C(N)CC(CCN)CNc2ncc(C(F)(F)F)cc2Cl -MOL_01_028930,Cc1ccc(Cl)cc1Nc2nc(C(C)(C)C)ccc2C(=N)N -MOL_01_028931,c1ccncc1C(N)N(c2cc(C)ccc2)Cc(c(n3)C)cc(c34)cc(cc4)CN -MOL_01_028932,Cc1ccc(cc1)CN2CCC(CC2)C(=O)NC(C)C(=O)Nc(c3)ccc(c34)CCC4 -MOL_01_028933,C1CCCC1Cc2ccc(cc2CN)-n3cc(nn3)-c4ccncc4 -MOL_01_028934,CCc1ncccc1C(=O)NCCn2cnc(C)cc2=O -MOL_01_028935,CC(C)(C)c1ccc(cc1)-c2ccc(C)c(n2)CNC(N)CO -MOL_01_028936,CC(O)C(O)c1ccc(F)c(F)c1O -MOL_01_028937,COCCCNC(O)Cn1nnc(n1)-c2ccccc2NC(O)c3ccccc3C -MOL_01_028938,NOc1cccc(c1)CC(N=2)=CC(C23)=NC(N)=NC3=O -MOL_01_028939,CC(=O)c(c1)ccc(c12)cc(cc2)C(=O)N3CCNC(C(=O)C)C3C(=O)C -MOL_01_028940,CN(C)CCC(N)N1CC(C1)CCc(c2)ccc(c23)c(N)c(cc3)-c4ccc(cc4)CC(F)(F)C -MOL_01_028941,Cn1cccc1Cc2nnc(n2CN)CCC(=N)c3ccc(N)cc3 -MOL_01_028942,CCCCNC(=O)C1CCCN1CC2=CC(=O)N=C2C -MOL_01_028943,c1cccc(c12)C(O)N(C2O)c(c3O)c(C)cc(c34)cc(cc4)CN -MOL_01_028944,c1cccc(c12)c(O)nc(n2)CCc3n(CC)c(nn3)COc4ccccc4C -MOL_01_028945,c1ccccc1C(C=2)=CC(C23)=C(C=CC3=N)c4ccc(F)cc4CN -MOL_01_028946,NCc1ccccc1-c2c(=N)n(-c3ccccc3)cc(c2)-c4ccccc4CN -MOL_01_028947,C1CCCC1NC(=O)CCc2n(CC)c(nn2)CC(=O)Nc3ccc(F)cc3 -MOL_01_028948,C1COCCC1C(N=C2C)=C(C2=3)C=C(C3)C(N)NC4CCC(CC4)C(N)C(C)C -MOL_01_028949,CCC(O)c1ccccc1CC(O)C(C=2C)=CC(C23)=CN=C3 -MOL_01_028950,O1CCOC=C1C(=N)OC(c2ccccc2)C(=N)Nc3ccc(Cl)c(C(F)(F)F)c3 -MOL_01_028951,CC(C)CN(CC1)CCC1(CN)c2ccc(CN)c(c2)CN -MOL_01_028952,CC(=N)CN(C)c(c1)ccc(c12)CCc3c2ccc(c3)CN -MOL_01_028953,CC(C)CC(C(=O)C)NC(=O)C(CC(C)C)NC(=O)c1cc(C)nc(n1)C -MOL_01_028954,c1ccnc(c12)c(cc(c2)CN)CCCCCCCC(N)N -MOL_01_028955,Cc1ccccc1C(N)CCC(N)N(C)c2ccccc2 -MOL_01_028956,CC(C)(C)CC(=O)Nc1cc(ccc1CC)CN(CC(=O)N)Cc2ccc(NC)cc2 -MOL_01_028957,CNc(c(N)c1)cc(c12)C(=N)CC(N2)c3ccccc3 -MOL_01_028958,NC1=NCNc(c12)nc(C(F)(F)F)c(n2)C(F)(F)F -MOL_01_028959,c1cnccc1C(=O)N(C)c2ccc(cc2)CNC(N3)C=Cc(c34)cccc4 -MOL_01_028960,NC1=NC(=O)/C(C1)=C\c2ccccc2OCc3ccccc3 -MOL_01_028961,CNc1nc(N)c(CN)c(c1C(=N)N)-c2ccccc2 -MOL_01_028962,Cc1cc(C)c(c(C)c1)CNC(N)n(c2N)cc(c23)nccc3 -MOL_01_028963,FC1CC1C(=N)Nc(nc2)cc(c23)ccc(c3)-c4cc(F)ccc4N -MOL_01_028964,c1ccccc1OCCCc2n(C)c(nn2)CC(=O)Nc3cccc(c3)ON -MOL_01_028965,CCc1cccc(c1CC)C2C(C(N)CC)=CN(CC)C=C2C(N)CC -MOL_01_028966,Cc1cc(O)cc(c12)cc(cc2)OCc3cn(nn3)CCN(C4O)C(O)c(c45)cccc5 -MOL_01_028967,Nc1ccccc1C(=N)NCC2(c3ccccn3)CCN(CC2)CCCN -MOL_01_028968,Clc1ccc(cc1)CC(C)(C)C(=O)NC23CCC(C(=O)N)(CC2)CC3 -MOL_01_028969,NCC(=C)c1ccccc1NC(=C)CNc2ccc(F)c(c2)CN3CCCCC3 -MOL_01_028970,c1ccccc1CCC(=O)NCC(=O)NCCc2ccccn2 -MOL_01_028971,Cc1ccc(cc1)Oc2c(C)nc(nc2O)CCC(=O)c(c3)ccc(c34)C=C4 -MOL_01_028972,CN(C)CCCNc1c(N(C)C)cc2C(O)N(C(O)c(c2c13)ccc3)CCCN(C)C -MOL_01_028973,c1cccc(c12)c(nc(n2)C(C)C)CCC(=O)c3ccc(F)cc3 -MOL_01_028974,c1cccc(c12)c(nn(C)c2=N)C(=N)NC(N)c3ccc(F)cc3 -MOL_01_028975,c1ccccc1-c2n(C)c(=N)cc(c2)-c3ccncn3 -MOL_01_028976,OCc(n1)cn(c12)CC(CO2)OCCCc3ccc(cc3)-c4ccc(C(F)(F)F)cc4 -MOL_01_028977,CC(N)c1ccc(CN)c(c1)CCc2cccc(c23)cccn3 -MOL_01_028978,NCCCCc(cc1C)cc(c12)CC(N)(N)C3C2CC(=CC3)CN -MOL_01_028979,CC(N)c1cc(C2CC2)ccc1Nc3cnc(nc3)-c4cccc(c4)CC5CC5 -MOL_01_028980,c1nnnn1CC(=O)Nc2ccc(F)cc2CCC3CC3 -MOL_01_028981,c1cccc(c12)c(cc(N)c2C)OCC(N)Cc3cccc(N)c3 -MOL_01_028982,c1cccc(n12)ncc(c2=O)C(=O)CCCc3ccccc3 -MOL_01_028983,NCc1ccccc1CC(N)C(N)Cc(n2)cnc(c23)cccc3 -MOL_01_028984,c1cc(C)ccc1C(C)(c(cc2)ccc2C)C(N)NCCCN(CC3)CCC3(CN)c4ccccc4 -MOL_01_028985,CC(C)(C1)C=Cc(c12)c3c(cc2)c(N)c(cc3)-c4cc(CN)cc(c4)CN -MOL_01_028986,NCc(c1)c(CN)cc(c12)ncnc2Cc(c3)ccc(c34)NNN4 -MOL_01_028987,Clc1cc(ccc1)CNC(=N)C2CCCN2C(=N)C(N)Cc3ccccc3 -MOL_01_028988,Nc(c1)cc(n12)c(=O)cc3n2nc(Cl)nn3 -MOL_01_028989,CCNc1ncc(cn1)C(=O)N(C)C(C)c(c2)ccc(c23)CCCC3 -MOL_01_028990,Cn1ncc(n1)CN(C2)CC2(CC3CC3)CNC(=O)c4ccc(Cl)cc4Cl -MOL_01_028991,CNC(O)CCc1ccc(Cl)c(c12)cccn2 -MOL_01_028992,c1cccc(c12)nc(n(C)c2=N)CCc3c(F)cccc3Cl -MOL_01_028993,Fc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)Cc(c4)ccc(c45)cccc5 -MOL_01_028994,CCc1ccccc1CC(O)Nc2cccc(c23)cccn3 -MOL_01_028995,CCC(=O)Nc1cc(ccc1C)C(=O)CCC(=O)c2ccc(Cl)cc2Cl -MOL_01_028996,Cc1cccc(c1)CN(C2N)c(c3Cc(c24)cccc4)cc(cc3)C(N)NCc5ccccc5CN -MOL_01_028997,NNCCc1cc(c(Cl)cc1C)-n2nc(N)c(Cl)c2N -MOL_01_028998,NCc1ncc(c(O)c1CN)C(O)c2ccccc2Cl -MOL_01_028999,CCCCCc1ccc(cc1)CN2CCN(CC)CCC2C(=O)N -MOL_01_029000,NC(N)Cc1cccc(c1)CC(N)c2cccc(c23)cccn3 -MOL_01_029001,NCc1cccc(c1)CCC(N)c2c(N)nn(c2N)-c3ccccc3 -MOL_01_029002,Cc1ccc(c(C)c1)-c2ccc(CN)n2CC(C)O -MOL_01_029003,NOc1ccccc1CCC(=O)c(c2=O)cnc(n23)cccc3 -MOL_01_029004,Cc1ccc(cn1)CC(N)C(C2)CCc(c23)nnc(c3)C(C)C -MOL_01_029005,NCc1ccc(cc1)NCCC(=O)CC2CC(C(=O)N2)c3ccccc3 -MOL_01_029006,NC(=O)c1cc(F)cc(F)c1CCc2ccc(F)c(c2)C(=O)N3CCNCC3 -MOL_01_029007,CCC(C)NC(=O)c1ccc(C)c(c1)NC(=O)C2=C(C)CCCC2 -MOL_01_029008,NOc1ccccc1CNC(=O)c2ccccc2NCc(c3)ccc(c3=4)=NC(N4)=O -MOL_01_029009,NCc1cc(ccc1)NC(=C)C2CCC(CC2)C(=C)C3CC(N)Cc(c34)cccc4 -MOL_01_029010,NCc1ccc(cc1)NC(=O)CN2CCN(CC2)CCCc3ccc(Cl)cc3 -MOL_01_029011,COc1cc(ccc1)NC(O)Cc2nnc(n2CC)CCC(O)N3CCN(CC3)c4ccccc4 -MOL_01_029012,C=C(C)c1ccccc1Nc2ccnc(n2)N(CC)CC -MOL_01_029013,c1cccc(c12)nc(C)c(n2)CC(O)C(O)Nc3ccc(Cl)cc3Cl -MOL_01_029014,CC1CCCCC1NC(=O)CCc2n(CC)c(nn2)CNC(=O)CCc3ccc(C(C)C)cc3 -MOL_01_029015,c1cccc(n12)nnc2CC(C)C(N)Cc3ccc(CN)cc3 -MOL_01_029016,N=C1CCCN1c2ccc(cc2)CNc3cccc(c34)cccn4 -MOL_01_029017,CC(C)(C)C1CC(CCO1)c2cc(C)nc(n2)-c3ccccc3O -MOL_01_029018,Clc(c1)ccc(c12)NC(CC2N)c3cccnc3 -MOL_01_029019,CCc1cc(O)n(n1)Cc2ccccc2NC(O)c3ccccc3 -MOL_01_029020,NOC(=O)c1ccc(cc1)CC(N)c(c2)ccc(c23)OCC(=O)C3 -MOL_01_029021,CCCc1cc(O)nc(n1)CCc2nc(no2)-c3ccc(OC)cc3 -MOL_01_029022,c1ccccc1C2=NN(C(=O)C)C(C2)C(=O)NCC(=O)CC(C)(C)C -MOL_01_029023,NCc1cc(CN)c(CN)cc1C(=C)CC(N)C(=C)Nc2cc(C(F)(F)F)ccc2Cl -MOL_01_029024,c1cccc(C2=N)c1C(=N)C(C3)C23c4ccc(F)cc4 -MOL_01_029025,NCc1ccc(cc1CN)C(N)C2CCCN(C2)CCc3ccccc3 -MOL_01_029026,Fc1ccccc1C(c(c23)cccc2)=CC(C(=O)C3)NNC(=O)CN -MOL_01_029027,NCC(C)(CN)c1ccc(cc1)C(C)(Cn2ccnc2)c3ccc(cc3)-c4ccncc4 -MOL_01_029028,Cc1ccccc1CNC(N)CCC(N)N2CCCc(c23)cccc3 -MOL_01_029029,c1cccc(c12)C(N)Nc3c(C2=C)ccc(c3)C(N)NCc4ccc(OC)cc4 -MOL_01_029030,Cc1nn(C)c(C)c1NCc2c(Cl)cc(cc2Cl)-c3ccnc(c3)NCCN -MOL_01_029031,Cc(n1)ccc(c12)cc(cc2)Cc3cncc(c34)cc(CN)c(c4)CN -MOL_01_029032,CCC1CCCN(C1)c2nccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_029033,c1ccccc1-c2nc(N)nc(c2)CCC(N)Nc3ccccc3N -MOL_01_029034,CCN1CCN(CC1)C(N)c2cc(n(n2)C)NC(N)c3ccccc3 -MOL_01_029035,CCCNc1ncc(cn1)CCc2ccc(cc2)CC(C)NC(=O)OC -MOL_01_029036,NCc1c(CN)cc(cc1CN)-c2nc(cnc2N)-c3cccc(c34)cccc4 -MOL_01_029037,CNc1ccc(cc1)C(O)Cc2c(C)ncc(c23)CCC(C)(C)CC3 -MOL_01_029038,CCCN1CCc(c12)cc(cc2)C(=N)Nc3cccc(c3)NC(C)=N -MOL_01_029039,c1cccc(c12)nc(nc2C)CCC(=O)CCC(=O)Nc3cc(CN)cc(c3)CN -MOL_01_029040,Cc1ccc(cc1)CC(O)COc2ccc(C)cc2CO -MOL_01_029041,NC1C(=O)CC(C12)=Cc3c(C2)c(Cl)ccc3 -MOL_01_029042,CN(C)CCCCc(nc(c12)cccn2)c(n1)CCc3cccc(c3)CN -MOL_01_029043,CNc1ccc(cc1)Cn2cccc(c2=N)C(=N)Nc3ccc(NC)cc3 -MOL_01_029044,c1ccccc1-c2cc(CN)c(cc2)CN3CCN(CC3)C(=O)CC(C(F)(F)F)C(F)(F)F -MOL_01_029045,C1CCCc(c12)c(C(N)N)nc(F)c2CN -MOL_01_029046,Cc1ccccc1N2CCN(CC2N)C(N)c3cccc(C(F)(F)F)c3Cl -MOL_01_029047,NCC1(CC1)NC(=N)C(NC2=N)Cc(cc3Cl)ccc3CC\C=C\CCc(c24)cccc4 -MOL_01_029048,NCc1ccc(Cl)cc1NCc(c2)ccc(c23)CCCC(=O)N3 -MOL_01_029049,CCCOc1c(ON)cc(CCN)cc1ON -MOL_01_029050,Cc1ccc(cc1C)-n2ccnc2CCC(=O)CCC3CCCO3 -MOL_01_029051,Nc(n1)cc(n12)n(nc2C)Cc3ccccc3 -MOL_01_029052,Fc(c1)ccc(c12)CC(N)(N)NC2CC(N)Cc3ccccc3 -MOL_01_029053,Cc1cc(ccn1)C(=N)C(CCC2)CCC23N=Nc4c(O3)cccc4 -MOL_01_029054,C1CCCc(c12)ccc(c2)CC(=N)CCc3nc(C(N)(N)N)nc(c34)cccc4 -MOL_01_029055,C1CCCCC1c(n2)c(N)nc(c23)cccc3 -MOL_01_029056,Cc1ccc(cc1)C(F)C2CCN(CC2)CCNC(F)c3cc(CN)c(Cl)cc3CN -MOL_01_029057,CN(C)c1ccccc1CN(CC)CCCCn(c2N)cc(c23)cc(CN)c(c3)CN -MOL_01_029058,c1cccc(c12)CN(C2)C(O)Nc3ccc(cc3)C(O)N4CCN(CC4)c5cnccn5 -MOL_01_029059,CCc1ccccc1CNC(O)CCn2c(O)cc(c23)cccc3 -MOL_01_029060,CNC1CCN(CC1)c2ccc(cn2)CNCc3ccc(N)cc3N -MOL_01_029061,c1ccccc1NCC(N)CN(C)CCC2c(cccc3)c3CNc(c24)cccc4 -MOL_01_029062,Nc1c(N)nnc(n12)cc(n2)CCC(N)C3CCCCC3 -MOL_01_029063,c1ccccc1-c2c(C)nc(C)nc2CCC(N)Cc3ccc(C)c(C)c3 -MOL_01_029064,CCCCCC(=O)c1cccc(c12)nc3c(n2)cccc3N -MOL_01_029065,c1ccccc1N(CN)C(=N)CN2CCCC2c3ccc(CN)cc3 -MOL_01_029066,COCC(C)(C)NC(N)c1c(N)cccc1C(N)Nc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_029067,c1cccc(c12)c(O)nc(n2)CCc3n(CC)c(nn3)CC(O)Nc4ccccc4 -MOL_01_029068,Nc1ccccc1CC2(N)CCN(C2)Cc(c3)ccc(c34)cccc4 -MOL_01_029069,C1CC1CCCC2CN(Cc(c23)cn(n3)C)Cc4ccc(CN)cc4 -MOL_01_029070,CCC(=O)Nc1cccc(c1)Cc2nc(C)cc(C)c2CN -MOL_01_029071,Cc1nc(N)nc(c12)NCC(=N2)CCCc3ccccc3 -MOL_01_029072,CN(C)Cc1ccc(cc1)CNC(O)n(c2O)cc(c23)nccc3 -MOL_01_029073,C1NCc(c12)cc3c(c2)nc(C)c(c3)CN(C(C)N)CCc4ccc(CN)c(c4)CN -MOL_01_029074,Cc1cc(ccc1)N(CC)CCCNC(=N)C2CCC(=N)N2Cc3ccccc3Cl -MOL_01_029075,CCc1ccc(NC)cc1NC(=O)Cc2ccccc2Cl -MOL_01_029076,Cc(c1)ccn(c12)c(c(n2)C)C(O)NCCCN(O)CNc3ccccc3 -MOL_01_029077,CC1CCC(C1=O)C(=O)c2cncc(c2)-c3ccc(C=O)cc3 -MOL_01_029078,CCCCCNC(O)CCN(C(O)CC1)c(c12)cccc2 -MOL_01_029079,NCc1c(Cl)cc(cc1)CCC2(C)CN(C2)Cc3ccc(CN)cc3Cl -MOL_01_029080,CCOCCc1ccc(c(C)c1)OCCN(C(C)N)C(N)c2cc(CC)nn2C -MOL_01_029081,CCCC(N)c1cnc(-c2ccccc2)nc1-c3ccccc3 -MOL_01_029082,Cc1ccc(C)cc1CN(C(N)c(c23)cccc2)c4c(C3)ccc(c4)C(N)NC -MOL_01_029083,c1ccccc1-c2nc(C)nc(c2)CCC(N)Nc3ccccc3Cl -MOL_01_029084,CCC(=O)CCCCCC(O)COc1ccccc1CN -MOL_01_029085,CN(O)c1ccccc1C2=NCC(C2)C(=O)NCc3ccc(C(C)(C)C)cc3 -MOL_01_029086,c1ccccc1N(C(=O)CC)C2(C(=O)CC)CCN(CC2)CCN3CCCC3=O -MOL_01_029087,c1ncnn1CC(C)(c2c(C)cc(C)cc2)CN(C)C3CCN(CC3)Cc4ccc(CN)cc4 -MOL_01_029088,CCCNCN(N)C1(c2ccccc2)CCN(CC1)CCC(CN)(c3ccccc3)c4ccccc4 -MOL_01_029089,Cc1ncc(c(n1)C)C2CCc(c23)cc(ON)c(c3)ON -MOL_01_029090,N=C1CCC(C(=N)N1)N(C2=N)Cc(c23)c(Cl)ccc3 -MOL_01_029091,Cn1nc(N)c(c1N(C)C)CNCc(c2)ccc(c23)cc(cc3)ON -MOL_01_029092,Cn1c(=N)cc(nc1C)C2CC2c3ccc(cc3)-c4cccc(c4)CCN -MOL_01_029093,NCCCCCc1ccccc1Cn2c(N)cc(c23)ccc(c3)N -MOL_01_029094,Cc1cc(ncn1)-c2cccc(c2)CCC(=O)C(N)CC(C)C -MOL_01_029095,CNCc1ccc(cc1CN)CCC(=O)Nc2ccc(cc2)C(=O)NC -MOL_01_029096,c1cccc(c12)cc(NN)c(c2)-c3nnc(o3)CNc4ccccc4 -MOL_01_029097,CCNc1ccc(cc1)C(N)CCCn2c(N)cc(c23)cccc3 -MOL_01_029098,COc1cccc(c1)CCC(=O)C2CCCC(C2)C(=O)c3ccccc3 -MOL_01_029099,Cc1ncccc1C(=O)CCC(=O)Nc(c2)ccc(c23)CC(C3)(C)C -MOL_01_029100,COc1ccccc1CC(=O)COC(=O)c2nc(O)nc(O)c2C -MOL_01_029101,CC1(C)C(C)CN(C1)C(O)c2ccc(CN)c(c2)N3CCCCC3 -MOL_01_029102,CCCC(=O)c1c(N)c(CN)cc(n12)ccc2 -MOL_01_029103,Nc(n1)c(N)nc(c12)cc3c(c2)C4CCCC3N4 -MOL_01_029104,c1ccnc(c12)CC(CCC)CN(C2N)CCCN -MOL_01_029105,c1ccccc1C(c(c23)cccc2)=NC(C(=O)C3C)CC(=O)CCC(N)N -MOL_01_029106,CNCn1nc(N(C)O)cc1-c2ccc(cc2)-c3ccc(Cl)cc3Cl -MOL_01_029107,CCc(c1)ccc(c12)C(C(CN)CN)c3c(C2)cc(N)c(c3N)CN -MOL_01_029108,Cc1ccc(cc1C)C(=N)CNC(=N)c2ccc(cc2)N(C3=N)C(=N)C(C34)CC=CC4 -MOL_01_029109,Fc1ccc(cc1)CCc2nnc(CC3CCCC3)n2-c4cccnc4 -MOL_01_029110,COc1ccc(cc1)-c2ccc(cc2)CNC(C(=O)O)C3CCN(CC3)C(=O)CC(C)C -MOL_01_029111,Cc1cc(C)c(cc1O)Cc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_029112,CC(C)CCNC(O)c1nc(nc(O)c1O)C2CCCCN2 -MOL_01_029113,CC(O)c(c(O)c1)cc(c12)C(O)CC(C2)(C)C -MOL_01_029114,c1cccc(c12)n(CCCN)c3c2c(N)c4c(c3N)ccnc4 -MOL_01_029115,Fc1ccc(cc1)CN2CC(CCC2)C(=N)Nc3ccccc3Cc4cccnc4 -MOL_01_029116,CNc(n1)cc(O)c(c12)c(C)ccc2 -MOL_01_029117,c1ccncc1CNC2=C(N)C(N)=C2NCCCN(c3ccccn3)Cc4ccc(F)cc4 -MOL_01_029118,Cc1ccc(cc1)Cn2c(C)c(c(C(C)N)c2C)CNC(C)c3ccccc3 -MOL_01_029119,NCc1cc(F)ccc1-c2cncc(n2)CNCc3ccccn3 -MOL_01_029120,CC(=N)NCCNC(c(c12)cccc2)(c3ccccc3)N(C1=N)Cc4ccccc4 -MOL_01_029121,NCc1ccc(cc1)CCC(=O)CC2C(=O)NNNc(c23)cccc3 -MOL_01_029122,NCc(c1)c(CN)cc(c12)nccc2Cc3ccc(cc3)NC(N)c4ccccn4 -MOL_01_029123,NCc1ccc(cc1Cl)NC(N)CNC(c2ccccc2)c3ccccc3 -MOL_01_029124,c1ccccc1N(C(N)CC)C2(C(N)CN)CCC(CC2)CCc3ccccc3 -MOL_01_029125,Fc1ccc(F)cc1NC(N)CCC(N)N2CCCc(c23)cccc3 -MOL_01_029126,NCCCC(N)c(c1C)ccc(c12)c(ccc2)-c3ccc(N)cc3N -MOL_01_029127,C=1C=CC(=O)C(C12)=C(N)C(=C2)C(=O)Cc3ccc(N)c(Cl)c3 -MOL_01_029128,c1cc(=O)n(C)c(c12)cc(COC)c(c2)NCc3ccc(CN)cc3 -MOL_01_029129,C1NCNCN1CCN(C(O)Nc2ccc(C)cc2)Cc(c(n3)C)cc(c34)cc(C)cc4 -MOL_01_029130,CCc1ccc(cc1C(O)NC)Nc2nnc(C)c(c23)cccc3 -MOL_01_029131,FC(F)(F)C(C1)C(C(C)O)=Cc(c12)c(N)c(Cl)c(c2)N -MOL_01_029132,CCCc1cc(c(C)nc1C)NCN(C2O)C(O)c(c23)cccc3 -MOL_01_029133,Nc(c1)cccc1C2(NC)CCCCC2CNC -MOL_01_029134,C=c1ncnc(c1=2)N=C(N2)C(C)c3ccccc3 -MOL_01_029135,C1CCC(N)=NC1(C)c2cc(ccc2F)NC3CCC3 -MOL_01_029136,c1ccoc1C(=O)NCCCc2ccccc2-c3ccccc3 -MOL_01_029137,CC(O)C1CCC(=N1)c(n2)c(C)cc(c23)cccc3 -MOL_01_029138,CCCC(=N)Nc1cccnc1NCc2ccc(cc2)-c3ccccc3C(=N)ON -MOL_01_029139,Cc1c(C)nc(nc1C)CCC(=O)Nc2cc(ccc2Cl)CN3CCCCC3 -MOL_01_029140,Cc1ccc(cc1)Cc(nc(c23)cccc3)c(n2)Nc4cc(CN)cc(c4)CN -MOL_01_029141,NCCc1ccccc1N(C2=NC(N)C=C2)C(N)Nc3ccc(Cl)cc3 -MOL_01_029142,N1NC12NN(C(=O)C)C(CC2)C(=O)C3CNN(C3)c4ccccc4 -MOL_01_029143,Cn1cnc(c12)nc(CCCO)nc2CCc3ccccc3 -MOL_01_029144,n1cccc(c12)ccc(c2C)C(NC(N)C(C)C)c3ccccc3Cl -MOL_01_029145,n1nnnc(c12)c(C)c(c(=C)c2=C)C3CCCCC3 -MOL_01_029146,C1CCc(c12)ccc(c2)C3NC(=O)C(CN)=C(C3)CCc4ccccc4 -MOL_01_029147,Fc1ccc(cc1)CCC(C)(NCC(C)(C)C)C(=O)Nc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_029148,NCCNC(=N)C(CC(C)C)c1cccc(c1)-c2ccc(cc2)N3CCCCC3 -MOL_01_029149,Cc1ccc(C(=O)CN)c(c1)C(=CC2=O)CC2(C)C(C)C -MOL_01_029150,CCCc1ccc(cc1)-n2ccnc(c2=O)CCC(=O)NCc3cccc(c3)CC -MOL_01_029151,CCCCN(CC)c1c(Cl)c(Cl)cc(c1=2)=NC(=O)C(N2)=O -MOL_01_029152,CCc1ccc(cc1CC)CCNC(O)c(n2)nc(n23)nccc3 -MOL_01_029153,CCc1ccc(cc1ON)C(=N)c2c(Cl)ccc(c2F)C(C)NN -MOL_01_029154,n1cccc(c12)cccc2CC(=N)c3cc(Cl)cc(Cl)c3CN -MOL_01_029155,Clc1cccc(C(=N)C2)c1CC23CCN(CC3)C(=N)Nc4ccc(C(F)(F)F)cc4 -MOL_01_029156,CCc1ccccc1C(=O)CC2CC(C)(C(=O)C)n(n23)n3C(=O)C -MOL_01_029157,c1ccccc1C(N)c(c2-c3ccccc3)cc(c24)ccc5c4cn(N)cc5 -MOL_01_029158,c1ccccc1N(CCCN)C(=O)CCC(=O)c2ccc(cc2)CN3CCCCCC3 -MOL_01_029159,CC(C)(C)c1cc(Cl)ccc1NC(O)C(O)C2=C=CCC2 -MOL_01_029160,CCc1ccc(OC)c(c1)C(O)OCC(O)Cc2ncc(Cl)c(C)c2Cl -MOL_01_029161,CCC(C)c(c(n1)C)nc(c12)nc(nn2)-c3nnnc(n3)C -MOL_01_029162,Nc1cccc(c1)-c2ccc(cc2)C(N)Nc3ccc(Cl)cc3C(N)Nc4ccc(Cl)cn4 -MOL_01_029163,O=C(O)C1CCC(N1)c2cccnc2 -MOL_01_029164,CC(C)c1ccccc1N2CCN(CC2)CCCCCCC(=N)N3CCCC3C(=N)N -MOL_01_029165,C1=NC=C(C12)C=C(C(=O)CC)C=2CC(=O)c3cccc(C)c3 -MOL_01_029166,NC1CCc(c12)cc(cc2)CCN3CCN(CC3)C(N)Cc4ccc(c(F)c4)-n5cnnn5 -MOL_01_029167,c1ccccc1CCC(C)CNCCNC(=O)c2ccncc2 -MOL_01_029168,c1cccc(c12)cccc2CC(N)NC(CC(N)N)c3cc(NC)c(cc3)NC4CCCCCC4 -MOL_01_029169,c1ccccc1C(CC(=O)N)NC(=O)Cc2ccc(N)cn2 -MOL_01_029170,C1CCCNC1CC(=N)NC2CCC(CC2)CCN3CCC(CC3)c4cccc(c45)NCN5 -MOL_01_029171,CC(C)Cc1c(Cl)cccc1NC(=O)NCC(=O)N(C)C -MOL_01_029172,c1ccoc1CNC(=O)C2CCCN(C2)Cc3ccc(cc3)-n4cnnn4 -MOL_01_029173,CCN(CC)C(N)c1ccc(cc1C)C(=C2)c(cccc3)c3CC24CCNCC4 -MOL_01_029174,c1cccc(C(N)C2)c1CC23CCN(CC3)C(N)c4c(F)cccc4F -MOL_01_029175,COc1ccccc1NC(N)Cc2nnc(n2C)/C=C/C(N)NC3CCCCC3 -MOL_01_029176,Nc1ccccc1-c2ccc(cc2)C(N)Nc3ccc(Cl)cc3C(N)Nc4ccc(Cl)cn4 -MOL_01_029177,Cn1cnnc1CCc2ccc(cc2)C(=O)n3ncc(CN)c3N -MOL_01_029178,c1cccc(c12)CCN(C2)C(=O)c3ccc(cc3)-n4cc(nn4)CCc5ccccc5 -MOL_01_029179,Cc1ccc(cc1)NC(N)Cc2cccc(c23)cccn3 -MOL_01_029180,NCc1ccc(cc1CN)CC(=O)Nc2cnn(c2)Cc3ccccc3 -MOL_01_029181,CNc1cc(NC)c(N2CC2)cc1C(=O)NCCN3CCOCC3 -MOL_01_029182,CCCCC(=N)N1C/C=C\C(c2ccc(CN)cc2)N(C(=N)C1C)Cc3ccc(F)cc3 -MOL_01_029183,c1ccccc1C(C(CN)=C(C2)CC(=N)N)c(c23)c4c(cc3)cccc4 -MOL_01_029184,CC(C)c1ccc(cc1)-c(c2)ccc(c23)CCCN(C3=N)Cc4ncccn4 -MOL_01_029185,CC(C)(C)Oc1ccccc1COC(C2)COc(n23)nc(c3)CF -MOL_01_029186,CCCCN(CC1)CCC1(c2ccccn2)CNC(=N)c3cccc(Cl)c3 -MOL_01_029187,COc1c(OC)cc(cc1OC)C(=O)NCc2nnc(o2)CCC(=O)N3CCCC3 -MOL_01_029188,CNc1ccc(cc1C)C(=O)CCC(=O)N2CCC(=N2)c3ccccc3 -MOL_01_029189,C1CCCCC1OC(O)c(c2O)cnc(c23)cc(cc3)Oc4ccccc4 -MOL_01_029190,NCc1ccccc1CCC(=O)c(c2=O)cnc(n23)cccc3 -MOL_01_029191,N=C1NNCC1C2=NC(C)(C)Cc(c23)cc(cc3)C(C)(C)C -MOL_01_029192,COc1c(OC)cc(cc1OC)C(=O)NCc2nnc(o2)CCC(=O)NCc3ccco3 -MOL_01_029193,CCCc1cccnc1C(N)N2CC=C(CC2)c3ccc(C)cc3 -MOL_01_029194,Nc(n1)ncc(c12)CN(C2)C(=O)NCc3ccc(cn3)Cc4cc(F)cc(F)c4 -MOL_01_029195,NCCCCc1cn(cn1)CC(O2)Cc(c23)cc(cc3)CN -MOL_01_029196,Cn1cc(cn1)C(C=C2)=C(C2=3)C(=O)N=CN3 -MOL_01_029197,CC(C)(C)C1=NN(C(N)O)C(C1)c(c2)ccc(c23)CCC3 -MOL_01_029198,c1ccccc1C2(C(=O)C(C)C(=N2)N)c3cccc(c3)CN -MOL_01_029199,CC(C)c1ccc(cc1)NC(O)N2CCN(CC2)c3ncccc3N -MOL_01_029200,C1CCCC1(CN)C(=O)N2CCCC(C2)c3ccc(F)cc3 -MOL_01_029201,c1cc(Cl)cc(c12)CC(CN)(CCCCC)C(=N)C2c3ccc(N)cc3 -MOL_01_029202,CC(C)CCCCNC(N)CN(C1N)c2cccc(c2c13)ccc3 -MOL_01_029203,c1cccc(c12)cccc2Cc3nc(nc(N)c3C)CCC(N)c4ccccc4 -MOL_01_029204,CCCC(=O)c(n1)ccc(c12)ccc(c2)Cc3ccnc(c3)C(=O)NC -MOL_01_029205,CC(C)c(c1)ccc(c12)C=Cc3c(C2C(=N)N)cccc3 -MOL_01_029206,NCc1ccc(Cl)cc1NC(=O)c2cccc(c2)-n3ccnc3 -MOL_01_029207,Clc1ccccc1C(=N)NC(CCCC)C(=N)NCC(c2ccc(F)cc2)N3CCOCC3 -MOL_01_029208,CC(C)CC(C)(C(N)N)NC(N)c1ccc(C2CC2)c(n1)CCC3CC3 -MOL_01_029209,c1ccccc1OCC(=N)Nc2ccccc2OCc(n3)cc(=N)n(c34)cccc4 -MOL_01_029210,CC1=CCCC1NC(=O)Nc2ccc(Cl)c(c2C)CC(F)(F)C -MOL_01_029211,c1ccccc1C2CC(N)N(C2)c3cccc(c3)N4CCNCC4 -MOL_01_029212,O=C(N1)CCc(c12)cc(cc2)NCc3cccc(Cl)c3 -MOL_01_029213,c1ccccc1-c(c(c2C)NCC(C)N)cc(c23)ccc(c3)NC(C)c4cnccn4 -MOL_01_029214,Clc1ccc(cc1Cl)CC(N)c2cc(Cl)ccc2OC(N)c3cnccn3 -MOL_01_029215,CC(C)(C)c1ccc(nc1)Cc(c2)ccc(c23)nc(cc3)C(=O)NCC(=O)N -MOL_01_029216,Cc1ccc(F)cc1N2CCN(C(N)C2N)Cc3ccc(F)cc3Cl -MOL_01_029217,CC1(C)N(C)C(N)N(CC1)c2cnc(cn2)CCc3ccccc3 -MOL_01_029218,c1ccccc1C2(CCC(=N)NC2=N)C3CCN(CC3)Cc4cccc(F)c4 -MOL_01_029219,CCNCc1ccc(c(C)c1)C(=N)Cn2ccc(cc2=N)OCc3ccc(cn3)OC -MOL_01_029220,CN(O)c1c(C)n(nc1C)CC(O)Nc2ccc(Cl)cn2 -MOL_01_029221,COCC(C)NC(=O)C1=CC(=NCN1C)c(c2)ccc(c23)OCO3 -MOL_01_029222,NCc1ccc(cc1)CCc2n(C)c(nn2)-c3ccncc3 -MOL_01_029223,c1cc(O)cc(c12)cc(C)c(c2N)-c3cnn(c3)-c4ccccc4 -MOL_01_029224,c1ccccc1C(C(=N)N2C)CC23CCN(CC3)CCN4CCCC4=N -MOL_01_029225,Clc(c1)ccc(c12)nc(nc2C)CC(c3ccccc3)N4CNCNC4 -MOL_01_029226,Cc1cnc(cn1)CN(CC)C2CCN(C2=N)c3ccccc3 -MOL_01_029227,CCc1cc(NC(=O)C)c(N)cc1C(=O)NCCN(CC)CC -MOL_01_029228,FC(F)(F)c1ccc(cc1)C(N)NC(C)(CN)COc2ccc(CN)cc2C(F)(F)F -MOL_01_029229,Cn1ncc(Cl)c1C(O)Nc2cc(CN)c(Cl)cc2CN -MOL_01_029230,COc1ccccc1N2CCN(CC2)CC(N3)=NCc(c34)ccc(c4)C -MOL_01_029231,CCCC(=O)C1=C(CN)C(=O)C(=C1)C(=O)c2ccccc2 -MOL_01_029232,CCCc(c1)ccc(c12)ncc(c2C)C(N)NCc3ccc(F)cc3 -MOL_01_029233,N=C(N)CC(N)CC(N)CCc1c(Cl)cc(Cl)cc1NCc2ccccc2 -MOL_01_029234,CC(=O)c1ccc(cc1)CC(=O)C2(NC2(Cl)Cl)c3ccccc3 -MOL_01_029235,Cc1ccc(O)c(c1)NC(N)c2cn(nn2)Cc3ccccc3C(C)(C)C -MOL_01_029236,COc1ccc(cc1)C(c(c23)cc(N)cc3)C(C)C(=N2)c4ccccc4 -MOL_01_029237,Nc1ccccc1NC(=O)c2ccc(cc2)CNC3=NC(CC3)c4ccc(O)cc4 -MOL_01_029238,Cc1ccc(cc1)-c2cc(C(C)N)c(N)c(c23)ccc(Cl)c3 -MOL_01_029239,CCC(=O)C1CCN(CC1)C(=O)CCC(=O)C2CC(C)CN2Cc(c3)ccc(c34)CCCC4 -MOL_01_029240,Nc1nc(N)c(c12)c(O)n(nc2)-c3ccccc3 -MOL_01_029241,NCc1ccc(c(c1)CN)CCc2cccn(c23)ccn3 -MOL_01_029242,CN1CCC(C1)c2nnnnc2-c3nnnnc3N -MOL_01_029243,CC(C)NC(C=1)=Nc(c12)ccc3c2=CC(=N3)NC(=O)c4cccc(c4)CN -MOL_01_029244,C1=CC=C(C1=2)N=C(N2)C(O)Cc3cc(ccn3)OCC(F)(F)F -MOL_01_029245,Nc1ccccc1CCC(=N)NCC(N2CCCC2)c3ccccc3CN -MOL_01_029246,Cc1ccc(cc1)C2C(C(N)CN)=CN(C=C2C(N)CN)c3ccc(F)cc3 -MOL_01_029247,COCCCOc1cc(C)cc(c1)C(C)N(C2CC2)C(=N)C3CNCCO3 -MOL_01_029248,c1ccccc1CCC(=O)C2CCCN2C(=O)NC34CC5CC(C3)CC(C5)C4 -MOL_01_029249,Fc1ccc(cc1)CNC(N)c2c(C)n(c(c2)N)Cc3ccc(cc3)C(N)c4ccccc4 -MOL_01_029250,Fc1ccc(cc1)C(=O)NC(=C)Nc2ccc(cc2)CNc3cc(OC)nc(n3)OC -MOL_01_029251,CC(N)Cc1c(C)c(N)c(cc1)C(N)Cc(n2)ccc(c23)cccc3 -MOL_01_029252,CN(O)Cc1c(C)n(nc1C)Cc2ccc(cc2)NC(O)NCc3ccccc3 -MOL_01_029253,CN1CCC(CC1)N(CC(C)C)C(=O)CCc2ccc(C(=O)N)cc2 -MOL_01_029254,Clc1cc(ccc1)-c2cc(C)c(nc2)C(O)NCC(C)O -MOL_01_029255,CCCC(=N)c1c(C)oc(c12)ccc(c2)CC(=N)N3CCCCC3 -MOL_01_029256,C1CCC(O)C(=C12)C(C(=C(C2)C)CN)c3ccccc3 -MOL_01_029257,NC(N)c1nnc(n12)CCC(C2)CCCc(c3)ccc(c34)OCCO4 -MOL_01_029258,c1cccnc1NC(N)C2CCN(CC2)Cc(c3)ccc(c34)cccc4 -MOL_01_029259,CC(O)Cc(c1C)c(O)c2CCCc(c2c13)ccc3 -MOL_01_029260,C1CCCCN1C(=O)CCc2n(CC)c(nn2)CC(=O)Nc3ccc(F)cc3 -MOL_01_029261,CNCn(c1)ccc(c12)cc(n2)-c3ccccn3 -MOL_01_029262,NCc1ccc(cc1CN)CN2C=C(C(N)CCC)C(C(=C2)C(N)CCC)c3ccc(Cl)cc3 -MOL_01_029263,Cc1ccccc1NC(=O)c2ncn(c2C)Cc3ccccc3Cl -MOL_01_029264,OCC1CC(C=C1C)c2cc(C)c(C)nc2N -MOL_01_029265,Cc1ccc(cc1)C(=O)c2cc(C)c(c(Cl)c2)CNC(=O)NNC(=O)c3cc[n+]([O-])cn3 -MOL_01_029266,COc1ccc(cc1)-n2ccnc2CCC(=O)Nc3cccc(c3)OC -MOL_01_029267,CC(=O)c1ccc(cc1)CNC(=O)c2cc(F)cnc2Cc3ccc(F)cc3 -MOL_01_029268,c1cccc(c12)NC(C)(NC2N)CCc(c3)ccc(c34)CCC4 -MOL_01_029269,CCc1ccc(C(=O)C)cc1CCC(=O)c2cnc(Cl)c(Cl)c2 -MOL_01_029270,C1COCCC1C(N)c2ccc(O)c(c23)cccc3 -MOL_01_029271,CCc1ccc(cc1)NC(=N)c(c2)cc(n23)c(C)nc4c3cccc4 -MOL_01_029272,CCCCCc(n1)nc(O)c(c12)c(CC)cc(c2)O -MOL_01_029273,NCCN1CCC(CC1)NCc2nc(c(F)ccc3)c3c(c24)nccc4 -MOL_01_029274,n1cccc(c12)ccc(c2N)C(c3ccccc3)Nc4cccc(c45)cccn5 -MOL_01_029275,Cn1c(N)cc(c12)cc(cc2)CCCCC(N)Cc3ccc(C(N)N)cc3 -MOL_01_029276,CC(C)CN(C1)C(O)CC12CCN(CC2)C(O)c(n3)cn(c34)cccn4 -MOL_01_029277,CCCCCC(N)c1nc(C)c(C)nc1C(N)Nc2cc(C)ccc2C -MOL_01_029278,NCCCCNCc1ccc(c(F)c1)Cc2ccc(C(=O)N)nc2 -MOL_01_029279,Cn1cccc1C(=O)NC(=O)CCC(=O)CCNCc2ccc(Cl)cc2 -MOL_01_029280,O=c1ccccn1C(C2(CN)CN)C(C2=O)C(=O)CCc3ccccc3 -MOL_01_029281,Nc(c1)ccc(c12)c(O)cc(n2)C(C)NC(O)CCc3ccccc3 -MOL_01_029282,CNc(c(N)c1)cc(c12)C(N)CC(N2)c3ccccc3 -MOL_01_029283,CC(=O)c1cnc(cc1)Oc2cc(OC)c(cc2)CC3CCCC3 -MOL_01_029284,FNc1cc(NF)c(N2CC2)cc1C(O)NCCn3ccnc3 -MOL_01_029285,CN(C1)CCc(c12)nc(c(c2)CN)CCC(=O)CC(C)(C)C -MOL_01_029286,Cc1cccc(n1)C(=N)N2CCCC(C2)N3CCN(CC3)Cc(c4)ccc(c45)CCC5 -MOL_01_029287,NCc1cc(ccc1)C2CCN(CC2)C(=N)c3ccc(o3)CCc4ccccc4F -MOL_01_029288,NCCCCNC(=O)C(NCCC)NC(=O)c(n1)ccc(c12)cccc2 -MOL_01_029289,c1ccccc1CC(C(N)N)Nc2ccc(cc2)-c3ccccc3C(F)(F)F -MOL_01_029290,NOc1ccc(cc1)C2(CC2)C(=N)CCc3c(N)ncc(c34)CCCC4 -MOL_01_029291,COc1ccc(cc1)CC(=O)C(c2ccc(C)cc2)C(C)C(=O)c3ccc(O)nc3 -MOL_01_029292,CCc1ccccc1CNCc2ccc(c(c2)CC)NC(=O)Nc3cnc(cn3)CN -MOL_01_029293,Cc1c(C)cc(cc1C)-c2cnccc2-c3ccc(CN)nc3 -MOL_01_029294,c1cccc(c12)nc(nc2C)CCC(O)N3CCN(CC3)Cc4cccc(F)c4 -MOL_01_029295,Fc1ccc(cc1)C(=N)C2CCN(CC2)C(C(N)C3)Cc(c34)c(N)ccc4 -MOL_01_029296,Cc1nc(F)cc(n1)-c2c(F)cccc2ON -MOL_01_029297,FC(F)(F)c1ccccc1C(=N)Nc2cccc(c2)Nc3ccnc(c3)NC(N)C4CC4 -MOL_01_029298,C1CCCN1C(N)c2ccc(cc2)-c(c3)ccc(c34)C(N)N(CC4)CCN5CCCC5 -MOL_01_029299,C1CCCCN1Cc2ccc(cc2)C(=C)NC3CC(=C)N(C3)c4ccc(CN)cc4 -MOL_01_029300,c1ccccc1CCCc2c(=N)n(ccn2)-c3ccc(c(c3)CN)CCCN4CCCC4 -MOL_01_029301,NCc1c(C)cc(cc1C)Nc2ccc(cc2)C(C(C)(C)C(=N)CN)n3ccnc3 -MOL_01_029302,CCc(n1)cc(CC)n(c12)cc(n2)C(O)c3ccccc3 -MOL_01_029303,Cn1nc(cc1)NC(N)c2c(C)n(cn2)Cc3cccc(c3)C(C)(C)C -MOL_01_029304,Clc1ccc(cc1)N(CC2CC2)C(=N)C3CCN(CC3)c4ccc(cn4)CN -MOL_01_029305,CCCNC(=O)c1cccnc1Cc2ccc(cc2)Nc3ccccn3 -MOL_01_029306,NOC(=N)C(C)(C)NC(=N)c1cccc(n1)-c2ccccc2Cl -MOL_01_029307,c1cccc(c12)OC(O2)(C(C)(C)C)CC(N)CCc3cccnc3 -MOL_01_029308,Cc(n1)ccc(c12)c(C)c(cn2)C(O)CC3CCC(C)CC3 -MOL_01_029309,NOc1nccnc1N2CCN(C(O)C2)Cc3ccc(F)cc3 -MOL_01_029310,c1cccc(c12)cccc2NCC(N)CN3CCC(CC3)Cc4ccccc4 -MOL_01_029311,Cc1nc(O)c(CN)c(n1)-c2ccc(F)cc2 -MOL_01_029312,NC(N)C1=CC(=O)C(=C12)C(CC(=O)C2)c3ccccc3 -MOL_01_029313,n1ccncc1C2CCC(CC2)Cc(c3)ccc(c34)OCO4 -MOL_01_029314,C1CCCc(n12)nc(cc2=N)CCc3ccccc3 -MOL_01_029315,CCc1cccc(c1)NC(=O)C(C2)CC(=O)n(c23)cnn3 -MOL_01_029316,Cc1cnccc1C(=O)Nc2ccc(cc2)-n3nc(C(C)(C)C)cc3Cl -MOL_01_029317,CCc1ccc(cc1NC)C(=O)NCCCC(=O)N(C)Cc2ccccc2 -MOL_01_029318,CCCC(N)C1=C(C)CC(N)=C(CN)C1c2cccc(C)c2 -MOL_01_029319,Cc(c1)ccn(c12)cc(n2)CCC(N)CCc3ccc(CN)cc3 -MOL_01_029320,NC(=O)c1cc(cn1C)CN2CCCC2Cn3ccnc3 -MOL_01_029321,O=C(N1)CCc(c12)cc(cc2)NCc3cccc(F)c3 -MOL_01_029322,CNCc1cccc(c1)NC(=N)CN2CCCCC(C2=N)NC(=N)c3ccc(cc3)-c4ccccc4 -MOL_01_029323,Nc1cncc(c12)ccc(n2)C(=O)CCc3ccccc3CC(N)N -MOL_01_029324,CCCc1cc(O)nc(n1)CCC(N)Nc2cc(ccc2Cl)CN3CCCCC3 -MOL_01_029325,CCc(c1)cc(CC)c(c12)c(N)cc(c2)N3CCN(CC3)Cc4ccc(cc4)NC(C)N -MOL_01_029326,CCCOC(=O)c1cnn(C)c1CNC(=O)Nc2nc(OC)cc(n2)OC -MOL_01_029327,c1ncnn1CC(O)(CCCC)C(N)c2ccccc2Cl -MOL_01_029328,CCC(O)c1ccc(C)c(c1)CCC(O)(CC23)C(CC2)CC3 -MOL_01_029329,Clc1ccc(cc1)CCC(N)Nc2cc(CC)c(cc2Cl)C(N)NCc3cccnc3 -MOL_01_029330,CNCc1ccc(cc1CNC)CCNC(N)C(=C(C)N(N)C2)C23CCCCC3 -MOL_01_029331,CCc1cc(c(C)nc1C)NCCN(C2O)C(O)c(c23)cccc3 -MOL_01_029332,Cc(n1)nc(N)c(c12)C=CCC2C -MOL_01_029333,CCCc1ccccc1N2CCN(CC2)CC(N)Nc3ccccc3C(N)NC4CC4 -MOL_01_029334,CC(C)(C)C(N)C(N)NCc1ccc(cc1)-c2ccccc2 -MOL_01_029335,Cc1ccnc(c1)CCC2CC(=O)C(C2)c3ccc(c(F)c3)C4=NCCCC4 -MOL_01_029336,Cc1cc(OC(C)(C)C)ccc1-c2ccc(c(C)c2)-c3cnc(N)cn3 -MOL_01_029337,Cc1cc(CCN)c(c(n1)C)C(O)NC23CC4CC(C2)CC(C4)C3 -MOL_01_029338,c1nnnn1-c2ccc(cc2CC)C(=O)Nc(c3)ccc(c34)CCC4 -MOL_01_029339,NNc1ccc(cc1)CN(C2)C(CC(=N)N)c(c23)cc(C(F)(F)F)cc3 -MOL_01_029340,CCCCCCC(C1N)=CC(N)c(c12)ccc(c2)-c3ccccc3 -MOL_01_029341,c1cccc(c12)cccc2-n3c(ncc3N)Cc4cccc(c45)cccc5 -MOL_01_029342,COc(c12)c(C=C1)cc(c2)NC(=O)NCc3nncn3C4CC4 -MOL_01_029343,Cc1ccc(cc1)C(C)NNC(O)c2cn(cn2)-c3cccc(n3)C -MOL_01_029344,CCOC(=N)C1CCC(N1C(=N)CC)c2ccccc2 -MOL_01_029345,CC1CCCC(C)N1CCNC(N2C)=NN(C)c(c23)ccc(c3)CN -MOL_01_029346,Cc(n1)nc(c12)c(O)nc(O)n2C -MOL_01_029347,NC(N)(N)NC(O)N(C)C1c(cccc2)c2Cc(c13)nccc3 -MOL_01_029348,NCc1ccccc1N2CCN(CC2)C3CCN(CC3)C(N)CCc4ccccc4 -MOL_01_029349,Cc1c(N)c(C)c(C)c(c12)CC(C)(CC2)CNCc3ccc(CN)c(c3)CN -MOL_01_029350,CC(N)c1cccc(c1)CC(C2)CCc(c23)n(cn3)C4CC4 -MOL_01_029351,c1ccccc1/C=C/c2n(C)c(nn2)-c3ccc(N)cc3 -MOL_01_029352,COc1ccc(cc1)Cc2nnc(n23)CCC(=N3)c4ccccc4 -MOL_01_029353,Fc1cc(cc(F)c1)C(=N)N2CCN(C(=N)C2)c3ccc(cc3)OCCCN4CCCCC4 -MOL_01_029354,COc1ccc(cc1)C2=NN(C(=C)N2C)CC(=O)NCCc3ccccc3 -MOL_01_029355,Clc1cc(ccc1)N(CC)C(CC)C(=O)NCc2ccncc2 -MOL_01_029356,Cc1cccn(c12)c(=O)nc(n2)CCC(=O)c3ccc(Cl)cc3 -MOL_01_029357,c1ccncc1C(=O)CC(C(=O)c2ccc(Cl)cc2)Cn3nnc(c34)cccc4 -MOL_01_029358,COc1cccc(c1)N2CCN(CC2)Cc(c3)ccc(c34)NC(=O)C(C)C(=O)N4 -MOL_01_029359,CCCCC(=N)Nc1cccnc1NCc2ccc(cc2)-c3ccccc3C(=N)NC -MOL_01_029360,NCCn1cc(c(n1)N)CC2CCCC(C2)C(=O)c(c3)ccc(c34)CNC4 -MOL_01_029361,CN(C)Cc1ccc(nc1)CCC(=O)Nc(c2)ccc(c23)CCCC3 -MOL_01_029362,Cc1ccc(cc1)-c2cc(cc(c2)N(C)C(N)C(C)C)C(N)NCc3cnccn3 -MOL_01_029363,Oc(n1)c(O)nc(c12)cc(N)c(c2)CCCc3ccc(Cl)cc3 -MOL_01_029364,NCc1ccccc1N(Cc2ccc(C)cc2)CC(N)Nc3cc(CN)ccc3CN -MOL_01_029365,NCc1ccc(cc1)-c(c2)ccc(c23)c4c(C3N)cccc4 -MOL_01_029366,NCCc(c1)ccc(c12)ncnc2CCCc3ccc(Cl)cc3 -MOL_01_029367,C1CC1C(CC=2)=CC(C23)=CC(=O)C(C3=O)(C)CC(=O)c4ccc(Cl)nc4 -MOL_01_029368,Cc1ccc(cc1)C2=C(CC)C(=NC2)N3CCC(CC3)C(=N)NCCc4cccc(c4)CN -MOL_01_029369,c1ccccc1-c2nn(CCN)c(c2)-c3ccccc3N -MOL_01_029370,c1ccccc1CN(C(=N)C(CC(C)C)NC2=N)C23CCN(CC3)Cc4ccccc4 -MOL_01_029371,Nc1ccc(n12)nc(N)c(c2N)CCCc3ccc(F)cc3 -MOL_01_029372,NCc(cc1)cc(c12)ccc(c2)C(C)C(N)NCCCN3CCN(CC3)c4ccccc4CN -MOL_01_029373,c1cccc(c12)nc(Cl)nc2C(C)Cc3ccc(CN)cc3 -MOL_01_029374,NOc1ccc(cc1ON)C(=N)CCN2CCN(CC2)c3ccc(C(F)(F)F)cc3 -MOL_01_029375,FC(F)(F)Cc1ccc(cc1)C(N)NC(C)(CN)COc2cc(CN)ccc2C(F)(F)F -MOL_01_029376,NCc(c1)c(CN)cc(c12)nccc2Cc3cccc(F)c3 -MOL_01_029377,CCc1ccccc1NC(N)CCc2cccc(c23)C(N)NCC3 -MOL_01_029378,FC(F)(F)CCCc1ccc(cc1C)CC(=N)Nc2ccn(n2)Cc3ccc(cn3)CN -MOL_01_029379,c1cccc(c12)C(=N)c3c2cccc3C(=N)NCc4ccccc4Cl -MOL_01_029380,COc1cccc(c1)C(=O)CCCCC(=O)c2cnccn2 -MOL_01_029381,NOc1ccccc1NC(=O)c2cccnc2CCc3ccncc3 -MOL_01_029382,Cc(c1)ccc(c12)nc(cc2N)C(N)NCCC3CCN(CC3)Cc4ccccc4 -MOL_01_029383,c1ccccc1C(c(c23)cccc2)=CC(C(=N)C3C)CC(=N)C(N)(N)N -MOL_01_029384,Fc1cccc(F)c1NC(=C)n2nc(nc2N)Nc3cccc(c3)CN -MOL_01_029385,CCOC(=O)c(n1)nc(c(c12)cccc2)Cc3ccc(cc3)C4CCOCC4 -MOL_01_029386,CCc1cccc(CC)c1NC(=O)COc2ccc(cc2)/C=C3/CC(=O)NC3=O -MOL_01_029387,CC(C)C(C(N)N)NC(N)c1cnc(N(C2)CC2(C)C)c(n1)CCC3CC3 -MOL_01_029388,NCc1ccccc1CCCc2cncc(n23)nnc3CC(N)N -MOL_01_029389,CN(C1)CCc(c12)ccc(c2)NC(=N)c3cc(Cl)ccc3ON -MOL_01_029390,Clc(c1)ccc(c12)CC(=N)CC(C(=N)NC)C2c3ccc(F)cc3 -MOL_01_029391,Cc1ccc(n12)nc(cc2O)COC(O)c3ccc(cc3)CC(O)C(C)C -MOL_01_029392,C1CCOC1CNC(=N)C(CC)N(c2ccc(F)cc2)C(=N)CNCc3ccccc3 -MOL_01_029393,CNC(=O)Cc1cccc(c1)NC(=O)c2cccc(n2)CCc3ccccc3 -MOL_01_029394,CC(C)CCCC(N)c1cccc(c12)nc3c(n2)ccc(c3)N -MOL_01_029395,CC(C)Oc1ccc(cc1)C2(N=C(N)C(C)C2=N)c3ccccc3 -MOL_01_029396,O1CCOc(c12)ccc(c2)C3=NN(C(O3)=C)CNc4c(F)cccc4F -MOL_01_029397,FC(F)(F)c1cc(ccc1)-c2cc(N)nnc2CCc3ccccc3N -MOL_01_029398,CCc1cccc(c1C)C(N)NC2(CCCC2)C(N)c3cccc(C)c3 -MOL_01_029399,CCC(CC)C(=O)NCCc(c(n1)C)cc(c12)ccc(c2)CN -MOL_01_029400,Fc1cccc(F)c1NC(=N)CN(CN)C(=N)C2(CC2)c3ccccc3 -MOL_01_029401,Nc1cc(N)cc(c1)CC(=O)Cn(c2=O)cnc(c23)cccc3 -MOL_01_029402,Cc1ccc(cc1)-n2c(C)nnc2CCC(=O)Nc3cccc(Cl)c3Cl -MOL_01_029403,N1=NC(N)(N)Cc(c12)ccc(c2CN)C(=O)Cc3cccc(F)c3 -MOL_01_029404,n1cnc(n12)nc(N)c(c2N)Cc3ccccc3Cl -MOL_01_029405,Cc1ccc(cc1)C(CC2)=Cn(c23)c(nn3)COc4ccc(ON)cc4 -MOL_01_029406,CCC(C)(N)C(O)Nc1ccc(cc1)-c(c2)ccc(c23)CCC3 -MOL_01_029407,NCc1ccccc1C(=O)NCC(=O)Nc(c2)ccc(c23)CNC3 -MOL_01_029408,Clc1c(Cl)cccc1CN(C)C(C)C(=O)Nc2cc(Cl)ccc2CN -MOL_01_029409,C1CNCCN1c2cc(ccc2OC)CNc3cccc(c3)COCC(F)(F)F -MOL_01_029410,C1CCCCN1c2ccc(cc2NC)C(=O)CCC(=O)N3CCCCC3 -MOL_01_029411,c1nccnc1C(C)C(C2=O)CCc(c23)cccc3 -MOL_01_029412,CCCCc1c(N)cc(N)c(NC)c1C(F)c2cc(C)cc(C)c2 -MOL_01_029413,COc1ccc(cc1OC)Cc2nc(nc(O)c2N)CCc3ccc(CN)cc3 -MOL_01_029414,CCC(N)C(C=1)=CC(C12)=C(N=N2)c3ccccc3C -MOL_01_029415,CCCCCCCNC(N)c(n1)cc(n12)C(N)N(CCC2)Cc3ccc(C)cc3 -MOL_01_029416,NCc1ccccc1CCC(=O)c(c2)cnc(c23)ccnc3 -MOL_01_029417,Nc1ccc(O)cc1C(N)CCC(N)c2ccc(cc2)C3CCCCC3 -MOL_01_029418,NCc1ccc(cc1)NC(=O)CCC(=O)Cc2ccc(Cl)c(Cl)c2 -MOL_01_029419,c1ccccc1CCc2nn(cc2C(C)N)Cc3ccc(cc3)-c4ccccc4CN -MOL_01_029420,NCc1c(C)ncc(c12)Cc3c(N2)ccc(c3)N -MOL_01_029421,Cc1ccc(cc1)CCNC(=O)CN(c2ccc(ON)cc2)Cc3c(C)noc3C -MOL_01_029422,CC1(C)C(N)=Nc(c12)cc(c(c2)CN)CCCCC3CCCC3 -MOL_01_029423,NCc1ccc(cc1)C(C)NC(=O)c2cccnc2Cc3ccc(F)cc3 -MOL_01_029424,Cc1ccc(c12)c(N)n(cn2)C -MOL_01_029425,NCc(c1C)c(O)nc(n12)cc3c2cccc3 -MOL_01_029426,CC(N)C(C)Cc1nnc(n1-c2ccc(CN)cc2)CCc3cccc(c34)cccc4 -MOL_01_029427,NCc(c1)c(CN)cc(c12)CCCC2(C)CCCN3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_029428,NCc1cccc(c1)C2CCC(CC2)C(N)c(c3)ccc(c34)cccc4 -MOL_01_029429,CCCCNC(=N)C1(C)CCCN(C1)C(=N)c2ccc(C(F)(F)F)nc2C -MOL_01_029430,CCCCCC(C1O)=CC(O)c(c12)c(C)ccc2C -MOL_01_029431,c1ccncc1Cc2n(C)nc(C)c2NC(=O)C3CCCC3 -MOL_01_029432,Nc1ccccc1N2CCN(C(N)C2)c3ccncn3 -MOL_01_029433,Clc1cc(ccc1)-n2nc(C)c(n2)C(O)Nc3cccc(c3)C(O)NC4CC4 -MOL_01_029434,CCc1cc(C(=O)NC)ccc1CC(C)C(=O)N2CCN(CC2C)C(=O)c3ccccc3 -MOL_01_029435,CCCc1ccc(cc1)NC2=C(Cl)C(O)N(C2O)C3CCCCC3 -MOL_01_029436,Cc1ncoc1C(=N)N2CCCC(C2)C(=N)c3ccc(cc3)Cc4ccccc4 -MOL_01_029437,NCc1c(CN)cc(cc1CN)C(=N)c2ccn(c2)-c3cccc(c3)N4CCCCC4 -MOL_01_029438,CCC(=O)Cc1c(C(=O)CC)nnn1-c2ccc(CC)cc2 -MOL_01_029439,C1CC1c2n(C)c(cc2)CC(C)C(O)c3ccnc(c3)OC4CCC4 -MOL_01_029440,NCc1ccc(cc1)Nc2nccc(n2)Cc3cccc(c34)CCC4=O -MOL_01_029441,c1ncccc1CNc2ccnc(c23)cn4c3cccc4 -MOL_01_029442,NCc1ccccc1Cc2nnc(N)n2-c3ccccc3CN -MOL_01_029443,CCCC(O)CCc(c1)cc(O)c(c12)c(O)cc(F)c2 -MOL_01_029444,Nc1cc(c(N)nn1)-c2ccc(cc2)CCCCN3CCCC3N -MOL_01_029445,NCc1ccccc1N2CCN(CC2)CCCCc3ccccc3C(N)N -MOL_01_029446,CC(=O)c1ccc(cc1)-c2ccc(cc2)COC(C3)COc(n34)nc(c4)CO -MOL_01_029447,Cc1ccnc(n1)N2C(O)CCC2c3ccc(CN)cc3 -MOL_01_029448,CCc1ccc(F)cc1C(=N)C2CCCN(C2)Cc3ccc(cc3)Cc4ncccn4 -MOL_01_029449,NC(=O)NC1CCCc(c12)c(ccc2)Cc3ccccc3 -MOL_01_029450,Cc1ccnc(n1)CC2CC(=O)N(C2=O)c3ccccc3 -MOL_01_029451,CCCc1cnc(nc1)N2CCC(C2)Cc3ccc(cc3)C(C)NC(=O)C -MOL_01_029452,NCc1ccccc1CCN(C2CCNC2)C(=C)c3ccc(cc3)CN4CCCC4CCN -MOL_01_029453,c1o[nH][nH]oc1-c2oc(nn2)NC(=C)c3ccc(cc3)CN(C)c4ccccc4 -MOL_01_029454,CNc1c(NC)ccc(c12)CC(CC2)N(C)CCN -MOL_01_029455,Fc1cc(F)ccc1CNC(=N)C2CCCN2C(=N)C3CCCN3C(=N)c4cccc(Cl)c4 -MOL_01_029456,Cc1cnc(cn1)NC(=O)c2cc(CC(C)CCC)cc(c2)Cc3ccc(cc3)C(=O)N4CCC4 -MOL_01_029457,CC(C)CC(CO)NC(O)c1ccc(C2CC2)c(n1)CCC(F)(F)F -MOL_01_029458,CC1CCN(CC1)c2nccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_029459,Fc(c1)ccc(c12)ccn2Cc3ccc(ON)c(c3)NC4CCNCC4 -MOL_01_029460,Cc1ccccc1/C(Cl)=C(\C(=N)N2CCCCC2)NC(=N)c3ccccc3 -MOL_01_029461,CC(=O)c1ccc(cc1)CCNC(=O)CC2NNc(c23)c(F)ccc3 -MOL_01_029462,NC(N)CC(C(=O)C)NC(=O)C(C)Cc1ccccc1 -MOL_01_029463,Cc1c(Cl)c(C(C)(C)C)nn1CC(=N)N2CCN(CC2)c3ccccc3 -MOL_01_029464,CN(C)C(O)c1cnc(cn1)Cc(c2)ccc(c23)NCC3N -MOL_01_029465,FC(F)(F)C(C)(C(F)(F)F)c(c1)ccc(c12)n(CCN)c(=N)c3c2cccc3 -MOL_01_029466,CNC(N)c(c1)cc(n12)c(nc(c2)C)CCc3cccc(F)c3 -MOL_01_029467,CN(N1)Nc(c12)cccc2CC(=N)CC3NNC(N3)c4ccccc4 -MOL_01_029468,CCC(=O)C1CC(C(=O)C)Cc(c12)cc(Cl)cc2N -MOL_01_029469,OCC1CC(N=C1C)n2cc(C)c(C)nc2=N -MOL_01_029470,NC1CC(C)(C)Cc(c12)ccc(c2)CCC(N)NCCCN3CCN(CC3)c4ccccc4F -MOL_01_029471,O=C(N=1)C=c(c12)c(ccc2C)C(C)CCC(C)N3NNNNN3 -MOL_01_029472,CCc1ccc(cc1Cl)NC(=O)CCc2cccc(c2)-n3cnnn3 -MOL_01_029473,NCCCCC(C)c1cn(cn1)CC(C2)Cc(c23)ccc(c3)CN -MOL_01_029474,Cc1ccc(cc1)Cc2nccc(n2)Cc3c(Cl)ccc(c34)OCO4 -MOL_01_029475,C1CCCC1(CC(C)O)CC(O)Nc2ccccc2C(C)C -MOL_01_029476,c1cccc(c12)c(cn2C)NNNC(N)CCc3ccc(F)cc3 -MOL_01_029477,NC1N=NC(N)c(c12)c3c(cc2)C=4C(=C3)C=CC4 -MOL_01_029478,C1CCCCC1Cc2nc(CC)ncc2C(=O)CCCc3cccc(c3)ON -MOL_01_029479,CCC(=N)c1ccc(N2CCN(C)CC2)c(c1)NC(=N)CCc3ccccc3 -MOL_01_029480,Cc(n1)ccc(c12)cc(cc2)C3(C)CCN(CC3)C(N)CCC(C)C -MOL_01_029481,Nc1cnc(cn1)-c2ccc(cc2C)-c3ccccc3OC(C)(C)C -MOL_01_029482,CCc1c(C)cc(cc1C)NC(O)c(c2)ccc(c23)CCC(N3)O -MOL_01_029483,Cc1c(C)nc(nc1C)CC2CC(=O)C(C2=O)c3cc(Cl)cc(Cl)c3 -MOL_01_029484,NCc1ccccc1N2Cc(cccc3CN)c3CCc(c24)cccc4 -MOL_01_029485,Fc1ccc(cc1)N2CCN(CC2)C(=N)C3CCC(=N)N3Cc4ccccc4Cl -MOL_01_029486,c1ccccc1C(C(=N)N)(CCN(C(C)C)C(C)C)CCN2CCCCC2 -MOL_01_029487,NCc1ccc(cc1)C(CCC2=N)C23NCC(CN3)Cc4ccccc4 -MOL_01_029488,Cc1ccnc(c1)NCc2ccc(C(=N)NC)cc2-c(c3)ccc(c34)CCNCC4 -MOL_01_029489,c1cccc(c12)cc(c(O)c2C=O)C(=O)Nc(c3)ccc(c3=4)=NC(N4)=O -MOL_01_029490,Cc1cc(C)cc(c1)NC(N)c2cccnc2CCc3ccnc(c3)NC(N)CO -MOL_01_029491,CCCc1cc(CN)n(c1N)Cc2ccc(N)nc2N -MOL_01_029492,Cc1cc(CN)ccc1C(O)C2CCCN(C2)c3nccc(n3)N -MOL_01_029493,CC(=O)NCc1ccc(cc1)CNc2ccc(c(c2)CN)Oc3ccc(Cl)c(C(F)(F)F)c3 -MOL_01_029494,NCc1ccc(cc1)Nc2ncc(C)c(n2)CC3CCCCC3 -MOL_01_029495,CCN(CC)CC(N)NC1CC(C)(C)Cc(c12)c(C)c(C)c(C)c2C -MOL_01_029496,CC(C)(C)OC(=O)N(C)C(C(=O)N)CCc1ccc(cc1)Oc2ccccc2 -MOL_01_029497,CNc1nccn1CCC(C(=O)N2CCC(C)CC2)NCc3cc(Cl)c(N)c(Cl)c3 -MOL_01_029498,Nc1ccc(cc1Cl)C(N)Nc2ccccc2C(N)Nc3ccccn3 -MOL_01_029499,NCc1ccc(cc1)C2CNCCN2C(N)c3cccc(c34)nccc4 -MOL_01_029500,CCC(CC)C(=O)c1cc(O)cc(c1)C(=O)C -MOL_01_029501,CCc1ccccc1NC(=O)CCC(=O)CNC(=O)C2CCCCC2 -MOL_01_029502,Cc1cnc(cc1C)NC(O)c2cc(Cl)cc(c2)Oc3cncnc3 -MOL_01_029503,CC(C)Cc1nn(C)c(c1)C(=N)N(C(C)=N)Cc2ccc(cc2)Cc3ccc(CN)cc3 -MOL_01_029504,C1CC1CC(=N)c2cc(-c3ccc(N)cc3)cc(c2)C4C(=N)CCC4C(N)N -MOL_01_029505,CCc1cc(C)cc(c1CC)C(C(C)O)N(C)Cc2cnn(C)c2 -MOL_01_029506,Nc1ccccc1Cn2cc(cn2)NC(=O)CCc3ccccc3 -MOL_01_029507,NCc(c1)ccc(c12)cc(c(n2)N)CNC3CCN(CC3)Cc4ccccc4 -MOL_01_029508,N=C(N)c1ccc(nc1)Cc(c2)ccc(c23)CN(CC3)CCCc4ccccc4 -MOL_01_029509,NC1CCC(=C1C(=N)N)C(=N)Nc2ccc(cc2F)-c3cccc(c3)CN -MOL_01_029510,Clc1ccccc1CCC(=O)NCCNC(=O)c2ccccn2 -MOL_01_029511,C1CCN1CNC(=N)c2cc(C3CC3N)c(cc2F)CCC45CC6CC(C4)CC(C6)C5 -MOL_01_029512,CCC(N)C(=N)N1CCCN(CC1)c2ncccc2CN -MOL_01_029513,c1cccc2c1C(c(c23)cccc3)CC(N)CC(N)c4ccccc4Cl -MOL_01_029514,NOc1cccc(c1)CN2CCC(CC2)NC(N)c3ccc(Cl)nc3Cl -MOL_01_029515,Nc1ccccc1CCCC(=C)c2ccc(Cl)c(c2)CC3CC(N)CC(N)C3 -MOL_01_029516,c1ccccc1-c2cc(C)n(n2)C(=N)c3ccc(ON)cc3 -MOL_01_029517,CNC(N)c1cccc(c1)NC(N)N2CCC(CC2)Cc3cc(F)ccc3Cl -MOL_01_029518,N=C1CC(N)Cc(c12)nc(nc2)CCc3ccccc3 -MOL_01_029519,N=1C=NC(C12)=NC(=O)N(C2=O)C3CCCCC3 -MOL_01_029520,NC(N)CCc1cc(C)c(cc1)NC(N)C(C)Cc2ccccc2F -MOL_01_029521,c1ccccc1CCc2n(-c3ccc(cc3)CN)c(nn2)CCC(N)c4ccccc4 -MOL_01_029522,C=c1nc(C)nc(c1=2)C=C(N2)Nc3ccc(Cl)c(Cl)c3 -MOL_01_029523,CNCc1ccc(cc1)-c2cn(nn2)CCC(=O)Nc3cc(C)ccc3C -MOL_01_029524,c1cccc(c12)C(=CC(N)C2N)NCCCN3CCCCC3 -MOL_01_029525,Clc1cc(ccc1)C(=N)NCC2CN(CC2c3ccccc3)CCc4ccc(CN)c(c4)CN -MOL_01_029526,Cn1cc(c(n1)N)CN(CCC2)CC2(C(N)CCN)Cc3ccccc3N -MOL_01_029527,c1ccccc1CNC(C(=N)N)CNC(=N)c2ccc(cc2)CCc(n3)ccc(c34)CCCN4 -MOL_01_029528,Cc1ccc(cc1C)N2NNCC2c3ccccn3 -MOL_01_029529,Nc1ccccc1CC2(CC)CCCN(C2)Cc3c(N)nn(C)c3Cl -MOL_01_029530,c1nccnc1C(=N)N(C)c2ccc(cn2)-c3ccccc3 -MOL_01_029531,c1cncn1CC(C(=N)NCC(C)C)NC(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_029532,CCCc1ccccc1C2C(CN)=C(N)Cc(c23)cc(cc3)N(C)C -MOL_01_029533,COc1cc(NC(=O)C)ccc1CNc2c(C)nn(C)c2C -MOL_01_029534,c1cccc(c12)ccc(c2)CNC(C(=N)N3CCC(C)CC3)CCCNc4ccccn4 -MOL_01_029535,CC(=O)C(N)CCNC(=O)C1c(cccc2)c2N=Nc(c13)cccc3 -MOL_01_029536,Nc1ncc(cn1)-c2ccc(cc2C)-c3ccccc3CN(C4)CC45CCC5 -MOL_01_029537,CC1(C)CC(N)N(C1)c2ccc(cn2)CCc3ccccc3 -MOL_01_029538,C1CCC(N)=NC1(C)c2cc(CCN)cc(c2)NC(N)c3ccc(Cl)cc3 -MOL_01_029539,Cc1ccc(cc1)Cn2cc(nn2)C(O)Nc(c3)ccc(c34)CNC4 -MOL_01_029540,Fc1cnc(cc1)NCc2cc(CN)c(cc2)Oc3ccc(cc3)-n4ccnc4 -MOL_01_029541,n1cccc(c12)ccc(c2O)CCc3ccccn3 -MOL_01_029542,CCc1cnc(nc1)N(CC2)CCC2(C(=O)C)Cc3ccccc3CC -MOL_01_029543,CC(C)(C)NC(=N)C1CCN(CC1)Cc2cccc(c2)NC(=N)c3cncc(c3)C4CC4 -MOL_01_029544,c1cccc(c12)CCN(C2)C(N)CCc3cccc(c34)cccn4 -MOL_01_029545,c1cccc(c12)CN(C2)CC(C)CNC(N)CCc3cccc(c34)cccn4 -MOL_01_029546,Fc1cc(N)ccc1C(c(c23)ccc(c2)CC)C(O)c4c(C3)ccc(c4)N -MOL_01_029547,Cc(c1)ccc(c12)C(C(=C(C2)N)CN)c3ccc(CN)c(Cl)c3 -MOL_01_029548,CC(C)c(c(Cl)n1)nc(c12)cc(cc2)CN -MOL_01_029549,COC(O)CN(C)c1nc(ncc1NBr)NCCc2ccccc2 -MOL_01_029550,Clc1ccccc1CNC(N)Cn2c(N)cc(c23)cc(cc3)CNCc4ccccc4 -MOL_01_029551,C1CCCCN1CCN(C)C(N)N(CC2)CCC2(CN)c3ccccc3 -MOL_01_029552,NCC(=O)CN(CC1(C)C)C(=O)C1Cc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_029553,CNC(=O)NC(=O)CCCCc1cc(F)cc(c12)cccn2 -MOL_01_029554,CCCC(O)Oc1c(C=CC2)c=2c(c(c1=3)C=CC3)OC(O)CCC -MOL_01_029555,N=C(N=1)C=c(c12)c(ccc2C)C(C)CNCCc3cccc(c3)CNCc4ccc(CN)cc4 -MOL_01_029556,CC(=O)Cc1ccc(cc1)OCC(O)CCC(C)(C)C -MOL_01_029557,Cc1ccc(cc1)NC(O)Cc2nnc(n2CC)CCC(O)N3CCN(CC3)c4ccccc4 -MOL_01_029558,O=C(C)c1cccc(c12)CC(C(=O)C2)C(=O)NCc3ccccc3 -MOL_01_029559,CC(=N)c1ccc(cc1)CNC2CC(=N)N(C2)c3ccc(Cl)cc3 -MOL_01_029560,Cn1nc(C(N)N)c(c1C(C)C)CCCc2cccnc2ON -MOL_01_029561,Fc1ccc(cc1)-n2nc(cc2)C(N)Nc3ccc(cc3)C4CCCNC4 -MOL_01_029562,CC(=O)CCCC(=O)c(c1C)ncc(c12)cc(cc2)CC(=O)c3ccc(F)cc3 -MOL_01_029563,CCNc1ccc(c(c1)ON)NCc2c(cccc3)c3nc(c24)cccc4 -MOL_01_029564,c1cccc(c12)nc(C)n2C(O)N3CCCCC3 -MOL_01_029565,c1cccc(c12)CCN(C2)C(=N)Nc3cc(ON)ccc3ON -MOL_01_029566,NCc(n1)ccc(c12)ccc(c2C)C(c3ccccc3)Nc4ccccc4 -MOL_01_029567,Cn1cc(CO)c(n1)C(O)Cc(c2)ccc(c23)OCCO3 -MOL_01_029568,Cc1ccc(c(Cl)c1)CN2CCN(C(O)C2O)c3ccccc3C -MOL_01_029569,CCc1nc(c2n(c13)ccn3)cc(N)cc2 -MOL_01_029570,CC(C)Cc1ccccc1C(=O)NC2CC(=O)N(C2)CC(F)(F)F -MOL_01_029571,NCc1ccc(cc1)CC(=O)C2CCc3cccc(c3C24)C(=O)CC4 -MOL_01_029572,Nc1ccc(cc1)-c2ccc(cc2)C3CCC(O)CC3 -MOL_01_029573,CC(N)c1ccc(cc1)-c(c2)ccc(c23)c4c(C3N)cccc4 -MOL_01_029574,NCCN1C(N)=C(N)N(c(c12)cccc2)C3CCN(CC3)C4CCCCCCC4 -MOL_01_029575,Cc1cccc(c12)c(cc(n2)C)C(N)N3COC(C)C3 -MOL_01_029576,COc1c(OC)cc(cc1OC)CC(c2ccccn2)C(=O)Cc3cccc(Cl)c3 -MOL_01_029577,Cc1onc(c1)NC(=O)CCc2n(CC)c(nn2)Cc3ccccc3 -MOL_01_029578,CCCC(C(=N)N)CC1(CCCC1)C(=N)NC(CN)Cc2ccccc2 -MOL_01_029579,CCCN(C1N)Cc(c12)cccc2C(N)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_029580,Cc1ccc(cc1)C(=O)NC2C(=O)N=NC2c3ccccc3 -MOL_01_029581,Cc1cccc(c1)CCC(N)Nc2ccccc2C(N)N3CCCCC3 -MOL_01_029582,Cc1cc(N)ccc1Nc2c(C(=O)NOC(C)C)ccc(C)c2C -MOL_01_029583,Fc1ccccc1N2CCN(CC2)C(=N)C3CCN(CC3)Cc4cc(ON)c(ON)c(c4)ON -MOL_01_029584,c1cccc(c12)CN(C2)C(O)Nc3ccc(nc3)CC4CCN(CC4)C(O)C5CCCC5 -MOL_01_029585,CC(N)NCc(c1)ccc(c12)Cc3c(cccc3)CC2N4CCN(C)CC4 -MOL_01_029586,Cc1cccc(c1)N2CCN(C(C)C2)C(=N)c3cccc(c3)N4CCCC4=N -MOL_01_029587,CCCn1c(C)nnc1C(Cc2ccccc2)NCc3ccc(Cl)cc3 -MOL_01_029588,CNc1ccc(c(c1)NC)C(=N)C(F)C(CCCN)c2ccc(NC)c(c2)NC -MOL_01_029589,Oc1ccc(cc1)C(C(N)C2)C(=N)c(c23)cc(cc3)C4CCCC4 -MOL_01_029590,Cc1noc(C)c1CNC(C(=O)O)CNC(=O)C(CC2)CCC23CCN(CC3)c4ccncc4 -MOL_01_029591,Clc1c(Cl)cccc1C(=N)N2CCN(C(=N)C2)c3ccccc3N -MOL_01_029592,c1cccc(c12)C(=CC(N)C2N)NCCN3CCCCC3 -MOL_01_029593,n1cccc(c12)ccc(c2C)C(=O)Nc3cccnc3 -MOL_01_029594,c1cnccc1CN(CN)CC2(C)CCN(C2)C(=O)c3cccc(N)c3 -MOL_01_029595,COc1ccc(cc1)CC2C(=CCC2N)Cc3ccc(N)cc3N -MOL_01_029596,CNCc1ccccc1CN2CCN(CC2CNC)Cc(n3)ccc(c34)cccc4CN -MOL_01_029597,Cc1ccccc1C(C(=O)C=2)=c(c23)ccc(c3)C(=O)O -MOL_01_029598,CNc1ccccc1NC(O)CCc2nnnn2-c3cc(Cl)ccc3C -MOL_01_029599,c1cccc(c12)c(nc(n2)C)C(=O)Cc3ccc(ON)cc3 -MOL_01_029600,CC1CCC(CC1)C(N)c(c2)cc(N)c(c23)cc(Cl)cc3Cl -MOL_01_029601,CC(=N)N(C12)C(CCC1)CC(=C2)CN3CCC(CC3)NC(=N)Nc4cc(F)cc(c4)CC(C)C -MOL_01_029602,CC(C)(C)C(=N)N(CC(=N)N)Cc1cccc(c1)CNc2ccc(cc2)-c3cc(F)c(F)cc3NN -MOL_01_029603,Cc(n1)ccc(c12)cccc2Cc3nnnn3-c4ccccc4 -MOL_01_029604,Cc1cc(N)nc(n12)nnc2CCc3cccc(F)c3 -MOL_01_029605,CCC(=C)C1CCCN(C1)C(=C)c2ccc(cc2)CC3CCN(CC3)C(=C)CNCN -MOL_01_029606,O=C(N=1)C=c(c12)cc(cc2)NC(=O)C(=O)N3CCC(CC3)Cc4ccc(F)cc4 -MOL_01_029607,CN1CCN(CC1)c2cc(ccc2CN)CNCCc3cccc(c34)c(CN)ccc4 -MOL_01_029608,Cc1ccc(c(CF)c1)CC(O)COC(O)Cn2cnc(c23)cccc3 -MOL_01_029609,CC(C)(C)c1nc(ON)ncc1C(N)Cc2cc(Cl)cc(Cl)c2 -MOL_01_029610,NCc1cccc(c1)N2CCN(CC2)CC(O)Nc3ccccc3C(O)NCc4ccccc4 -MOL_01_029611,c1ccccc1NC(=N)CN2CCN(CC2)CCCc3ccc(Cl)cc3 -MOL_01_029612,c1ccccc1C(c2ccccc2)C(=N)NCCCN(CC3)CCC3(CN)c4ccccc4 -MOL_01_029613,C1CCCCC1CNC(=N)CCC2=NCCC(=N2)C(C=3N)=CC(C34)=CC=C4N -MOL_01_029614,CC(C)(C)c1cnc(c(Cl)c1)Oc2ccc(cc2)CC3=CC(=N)CC3=N -MOL_01_029615,CNC(=O)c1cc(ccn1)Cc2ccc(c(F)c2)NC(=O)Nc3ccc(cc3)CC(=O)C -MOL_01_029616,CCc1nnc(C)c(=O)n1CCC(=O)c2ccc(cc2)CN(CC)CC -MOL_01_029617,CN(C)c1nnnn1-c2ccc(cc2)Cc3ncc(C(C)(C)C)cc3Cl -MOL_01_029618,CC(C)CC1(C)CCN(CC1)C(=O)c2ccc(cc2)NCCc3ccccn3 -MOL_01_029619,C1COCCN1Cc2cc(ccc2C)NC(=O)COC(=O)c3ccc(cc3)NC(=O)CCN -MOL_01_029620,CCc1ccc(cc1)-c2nc(Cl)c(N)c(n2)NCc3ccc(F)cc3 -MOL_01_029621,Cc1ncc(NBr)n1CCN2CCN(CC2)c3cccc(c3)ON -MOL_01_029622,CC(C)(C)C(C)(C)C(C)(C)c1nnc(n12)ccc(n2)NN -MOL_01_029623,Cc1ccccc1CN(C)Cn2nc(cc2O)-c3ccncc3 -MOL_01_029624,c1cccc(c12)C(O)C(=C(Cl)C2O)Cc3ccccc3 -MOL_01_029625,CN1CCN(CC1)c2ccc(C(C)(C)C)cc2NC(=N)c3ccccn3 -MOL_01_029626,CCCCC1(C)NC(=O)C(C1=O)CC(=O)Nc2ccc(Cl)cc2C -MOL_01_029627,c1cncn1CCCNC(=O)Cc2c(F)ccc(c2F)NCCc3ccccc3 -MOL_01_029628,Cc1ccc(cc1)-n2c(CCC(=O)N)nnc2CNc3ccc(F)cc3 -MOL_01_029629,C1COCC1CC(=O)c2ccc(cc2)CC(=O)C(C3)Cc(c34)cccn4 -MOL_01_029630,C1CCCCC1NC(=N)C2CCN(CC2)C(C)c3cccc(c3)NC(=N)c4cccc(c4)CN -MOL_01_029631,CCc1cc(ccc1Cl)N2CCN(CC2)C(O)Cn3ncc(Cl)c3C -MOL_01_029632,Fc1cc(F)ccc1C(C)(Cn2cncn2)CN(CCN)CCCCc3ccccc3 -MOL_01_029633,CNc1ccc(cc1F)CNC(=N)c(c2)ccc(c23)nc(C)cc3C -MOL_01_029634,Cc1nn(C)c(c1NN)NC(O)Nc2ccc(Cl)c(Cl)c2 -MOL_01_029635,c1ccccc1CN2CCC(CC2)NC(=N)c3ccc(o3)CC(N)c4ccccc4Cl -MOL_01_029636,Cc1ccccc1Nc2c(NC)n(cn2)CC(O)c3ccccc3 -MOL_01_029637,COc1cccc(c1)-c2ccc(nn2)CCC(=O)NC3CCCCC3 -MOL_01_029638,Cc1ccc(cc1)CC(O)Cc2ccc(o2)C(=O)N3CCN(CC3)c4ccccc4 -MOL_01_029639,CNC(=N)c1ccc(O)cc1CCC(O)CN(CC2)CCC23Cc4c(C3)cc(F)cc4 -MOL_01_029640,Cc1ccc(cc1C)NC(=O)NC2CCC(CC2)C(N)C(=O)N3CCCC3 -MOL_01_029641,CC(C)(C)c1ccc(nc1)Cc(c2)ccc(c23)nc(cc3)C(=O)NCCCN -MOL_01_029642,Cc1ccccc1CC(N)CC(=O)NC2(CNCNC2)c3ccccc3 -MOL_01_029643,Clc1cc(N)ccc1CC(=N)NNCC2C(=N)CCc(c23)ccc(c3)N -MOL_01_029644,CCc1ccccc1NC(N)C=C=C(C(N)N2)CCc(c23)cccc3 -MOL_01_029645,NOc1ccc(cc1)N(ONC)c(c2C)ccc(c23)cccn3 -MOL_01_029646,Nc1ccc(cc1Cl)C(=O)CCCCc2cccc(c23)cccn3 -MOL_01_029647,Cc1nonc1NC(=O)c2ccc(Cl)c(c2)CN3CCCCC3 -MOL_01_029648,NCc(c1)c(CN)cc(c12)C=CC3C(C2=O)CCC3 -MOL_01_029649,c1cccc(c12)c(cn(c2=N)CC(C)C)NC(=N)NCc3ccc(Cl)cc3 -MOL_01_029650,C1CCC(C12)CCC(=N)N2c3ccc(cn3)NNc4ccccc4 -MOL_01_029651,C1=C=CCC1(CN)NC(O)c2ccn(n2)-c3ccccc3Cl -MOL_01_029652,Cc1ccc(cc1)C(N)c(cc(c23)CCCC3)c(c2)NC(N)c4cccc(c4)CN -MOL_01_029653,O=CNCCCCC(C(=O)C)NC(=O)C1CCC(=N1)c2ccccc2C -MOL_01_029654,C1CCC1NC(=N)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)cn4 -MOL_01_029655,C=c1ncnc(c1=2)C(=CN2)CN(C)C(CC)CC -MOL_01_029656,NC(=O)c1cccc(c1)CC(=O)CC2C(=O)CCc(c23)ccc(Cl)c3 -MOL_01_029657,N1CCCNC1CCC(N)c2c(Cl)cccc2-c3cccc(Cl)c3 -MOL_01_029658,CCc1ccccc1Cc2nc(C)c(C(C)O)cc2CN -MOL_01_029659,c1ccoc1CN(CCCON)CCNC(=O)c2ccc(cc2)NC(C3)=NC(C34)CCC4 -MOL_01_029660,Cc1cc(CN)cc(c12)\N=N\CCCC(=O)CC(Cl)CC(N)CC2=O -MOL_01_029661,NCc1cc(N)c(Cl)cc1C(=O)NC2CCN(C2)Cc3ccccc3 -MOL_01_029662,FC(F)(F)C(N)(O)C(=O)Cc1cc(ccc1Cl)C(=O)C2CCCCC2 -MOL_01_029663,Fc1c(F)c(F)ccc1CC(=O)C(C)OC(=O)CCCC2=NCc(c23)cccc3 -MOL_01_029664,c1ccccc1-c2ccc(CN)c(c2)Cc3ccc(Cl)cc3N -MOL_01_029665,c1cccc(c12)CC(C2)N(C3N)C(N)c(c34)c(F)c(F)c(F)c4F -MOL_01_029666,CCc1c(N)nn(C)c1C(=O)CCc2ccc(C(N)(N)N)cc2 -MOL_01_029667,c1ccccc1CCn2nc(C(=N)OC)c(c2)NC(=N)CCc3ccccc3 -MOL_01_029668,CC(=N)Nc1ccc(cc1)-c2cccc(c2)C(CN3)NC34C=CC(=N)C=C4 -MOL_01_029669,c1ccccc1C(CN)(CCC(CN23)(CN)C(CC2)CC3)c4ccccc4 -MOL_01_029670,O=C(N=1)C(=O)N=c(c12)nccc2OCCCc3ccccc3 -MOL_01_029671,NCc1c(CN)cccc1C(C)Cc(n2C)nc(c23)cccc3 -MOL_01_029672,Cc1ccc(cc1CN)-c2cccc(c2)C(N)NCCN3CCCCC3 -MOL_01_029673,Clc1cc(Cl)ccc1CN2CC(NC)C(C2)Oc3ccc(CN)c(F)c3 -MOL_01_029674,n1nnnc(c12)CCN2C(=C)c3nnc(nn3)CCC -MOL_01_029675,CCc1cc(N)c(Cl)cc1C(N)NC2CCN(CC2)CC3CCN(CC3)CCCN -MOL_01_029676,C1NCc(c12)c(C)c3c(c2)CC(C)C(C)Cc4c3c(CN)c(CN)c(c4)CN -MOL_01_029677,CC(C)(C)c1ncccc1C(=O)C(CCN)c2ccc(Cl)cc2 -MOL_01_029678,NCc1c(C)cc(cc1)N(C(=O)CC)Cc2cc(CN)c(CN)c(c2)CN -MOL_01_029679,CC(=O)N(CC1)CCC12C=C(C(=O)N2)c3ccccc3 -MOL_01_029680,NC(N)c(c1N)cnc(c12)ccc(c2)Cc3cccc(F)c3 -MOL_01_029681,NCc(c1)c(CN)cc(c12)CCN(C)C2CCc3ccc(Cl)cc3 -MOL_01_029682,CNC(=O)C(CC)(CC)NC(=O)c1cnc(C2CC2)c(n1)CCC3CC3 -MOL_01_029683,NCCc1c(CCN)cc(cc1CCN)C(=O)NC(N)C(CC23)C(C2)CC3 -MOL_01_029684,Fc1cc(F)ccc1C(=O)N2C(=C)N(CC2)C(=O)c3ccc(F)cc3F -MOL_01_029685,CCN1CCC(=C(C1)C(=O)CN)c2ccccc2 -MOL_01_029686,Cc1ccccc1C(N(C)N)Cc2cc(ccc2CN)CNc(c3)ccc(c34)CNNC4 -MOL_01_029687,c1nccc(c12)CN(C2)C(N)Nc3ccc(cc3)CC4CCN(CC4)C(N)C5CCCC5 -MOL_01_029688,Clc1ccc(cc1)C(N)CCc2ncnc(c23)cccc3 -MOL_01_029689,C=CC(C)(C)C(CN)C(=N)NC(C)c1ccc(Cl)cc1Cl -MOL_01_029690,N=C(N)Cc1ccc(cc1)-c2ccc(cc2)Nc3ccncc3 -MOL_01_029691,Cc1cc(CN)cc(c12)nc3c(c2O)cc(N)c(Cl)c3 -MOL_01_029692,O1NOc(c12)ccc(c2)NC(=N)c3cc(on3)-c4cccc(c4)ON -MOL_01_029693,NCc1ccc(cc1)-c2cccc(c2)-c3cccc(c34)c(N)cc(c4)C5CNCNC5 -MOL_01_029694,CC1=NC(CO)CC1c2cc(C)c(C)cc2N -MOL_01_029695,c1cccn(c12)c(cc2CN)C(O)C3CC3 -MOL_01_029696,NCc(c1)c(CN)cc(c12)CCN(C2)CCCN(C3N)CCc(c34)c(ccc4)CCCF -MOL_01_029697,Cc1nnc(n1C2CC2)CCC(=O)N3CCN(CC3)c4ccccc4F -MOL_01_029698,Fc1ccc(cc1)C(C=C2C)=C(C2=3)C=C(C3)C(=O)CC4NCCC4=O -MOL_01_029699,c1ccccc1CCC(=C)N2CNON(C23)N(CC3)ONCN(C)C -MOL_01_029700,CCNCc1cc(c(F)cc1F)C2(C)CCCC(=N2)N -MOL_01_029701,n1nnnc(c12)C(=C(C2)CCN(C)C)Cc3nncnn3 -MOL_01_029702,Clc1cc(ccc1)CNC(N)c2c(C)n(c(c2)N)Cc3cccc(F)c3 -MOL_01_029703,CCc1ccc(cc1)CC(C2N)Nc(c23)cc(cc3)NC(C)(N)N -MOL_01_029704,c1cccc(c12)c(cc(c2O)CCC)C(O)Cc(c3)ccc(c34)OCCO4 -MOL_01_029705,CCc1cc(N)c(Cl)cc1C(=O)NCc2nncn2CC -MOL_01_029706,Cc1ccccc1CCc2ccc(cn2)C(=O)Nc3ccc(F)cn3 -MOL_01_029707,CNC1CCCN1C(O)c2cncc(c23)cccc3 -MOL_01_029708,CCC(CC)NC(CC)C1=CN=C(C1=2)C(=O)N=CN2 -MOL_01_029709,COc1cc(ccc1)/C=C2\CC(=C)N(C2=O)CCCC(=O)N3CCOCC3 -MOL_01_029710,c1cccc(c12)N=NC(C(N)N)C2CCNCc3ccccc3 -MOL_01_029711,c1ccccc1C2(C(N)=NC(N)C2)c3ccccc3 -MOL_01_029712,FC(F)(F)c1nccc(c1C(=O)N)CC(=O)c2ccccc2 -MOL_01_029713,C1CCCN1c(ccc2)c(c23)CN(Cc(cc4)ccc4NN)CC(N3)CNCc5ccccc5 -MOL_01_029714,NCc1ccc(cc1)Cc2c(=N)n(ncc2Cl)CCc3cccc(c34)cccc4 -MOL_01_029715,CCC(C=1)=Nc(c12)ccc3c2=CC(=N3)CC(=N)c4ccc(CN)c(c4)CN -MOL_01_029716,c1cnccc1CC(C)c2ncccc2C(=O)Nc3ccc(Cl)cc3 -MOL_01_029717,NCC(N)(C(=O)C1)CC(=O)c(c12)cc(cc2)CCc3ccccc3 -MOL_01_029718,c1cccc(c12)nc(nc2C)CCCC(=O)Cc3ccc(CN)c(Cl)c3 -MOL_01_029719,CCc1ccccc1C(=O)NCCC(=O)NC2CCCCCC2 -MOL_01_029720,c1ccnc(c12)cccc2C(O)NCCCc3ccc(C(F)(F)F)cn3 -MOL_01_029721,c1ccccc1CCCNC(N)C(CC2)C23CN(C3)Cc4ccccc4Cl -MOL_01_029722,CC(C)c1ccc(cc1)-c2ccc(c(c2)C(=N)N)NC3CCN(CC3)C(=N)CCCCCN -MOL_01_029723,CCc1ccc(cc1)-c2ccc3cccc(c3c24)C(N)N(C4N)CCN(C)C -MOL_01_029724,NOc(cc1)c(C(F)(F)F)c(c12)cc(-c3ccccc3)cc2C(=N)N(C)CC(=N)O -MOL_01_029725,Fc1ccc(cc1)NC(=O)CN(C)C(=O)CCC(=O)c2nc(Cl)ccc2Cl -MOL_01_029726,c1ccccc1C2(CCN(C)CC2)C(N)NCCc3ccc(CN)cc3 -MOL_01_029727,NCc1ccc(cc1CN)-c2ccc(nn2)CCc3cccnc3 -MOL_01_029728,NCc1cc(N)c(Cl)cc1C(N)CCC2CCN(CC2)CC3CC3 -MOL_01_029729,CC(C)(C)CC(=C)NCC1CCCN(C1)C(=C)C2CCC(=C)N2Cc3ccccc3CN -MOL_01_029730,CC(C1)=CC=C(C12)C(=O)C(N)=C(C2)c3ccc(C)cc3 -MOL_01_029731,Cc1ccc(cc1C)C2CCCN2C(N)Cc3ccc(CN)cc3 -MOL_01_029732,FC(F)(F)C(C1)C(C(C)O)=Cc(c12)c(N)c(Cl)cc2 -MOL_01_029733,Cc1ccc(cc1C)CCC(N)NCC2(CCCCC2)N3CCN(C)CC3 -MOL_01_029734,C1CNCCC1(C)CCC(=O)C(CCC23)N(C2)C(=O)N3 -MOL_01_029735,CC(N)(N)CCCCCCc1ccc(Cl)c(c12)cccn2 -MOL_01_029736,C1CC1NC(O)c2cnc(n23)CCCC3 -MOL_01_029737,Cc1ccc(nc1)-c2nc(ON)cc(n2)C(C)(C)C -MOL_01_029738,CC1=CCC(CCN)CC1c2cccc(N)c2N -MOL_01_029739,NCCCc1cnn(c(=O)c1Cl)-c2ccccc2Cl -MOL_01_029740,Fc1ccccc1C(CN)C(=N)Nc2ccccc2N3CCCC3 -MOL_01_029741,CC(=N)C1CCN(CC1)CC2=NCC(C(N)C2)c3ccc(Cl)cc3Cl -MOL_01_029742,COc1cc(N)nc(n1)OCCCC(=O)COc2ccc(Cl)cc2N -MOL_01_029743,Cc1nc(N)nc(C)c1CC(=O)NCC(C2)CCc(c23)c(CN)ccc3 -MOL_01_029744,CC(C)CN(C(=O)C(C)N)Cc(c1)cc(Cl)c(c12)ONCNO2 -MOL_01_029745,NCc1ccccc1Cc2cncc(n2)C3CCCN(C3)CC(=O)N -MOL_01_029746,c1ccccc1-c(cc(c23)cccc3)c(c2N)CN(N)c4ccccc4 -MOL_01_029747,NCc1ccc(Cl)cc1NC(=N)CCN2CCN(CC2)c3ccccc3N -MOL_01_029748,COc1ccc(cc1)C(C(O2)(N)N)=Cc(c23)c(C)ccc3 -MOL_01_029749,CCCc(c(Cl)n1)nc(c12)cc(c(Cl)c2)ON -MOL_01_029750,C1CCCCN1C(N)c2nc(N)nc(c2)NCCc3ccccc3 -MOL_01_029751,Cc1cccc(c1)N2CCN(CC2C)C(=N)c3ccc(cc3)N4CCCC4=N -MOL_01_029752,O=C(N=1)C=c(c12)cccc2C(=O)Cc3ccccn3 -MOL_01_029753,CC(C1)CCc(c12)nc(C(C)(N)N)nc2C(C)(C)C -MOL_01_029754,CC(O)NCn1cc(O)c(c1)-c2ccc(cc2)C3=CCCCC3 -MOL_01_029755,NCc1ccc(cn1)-c2ccc(nc2)Nc3cccc(c3)CCCNC4CCC4 -MOL_01_029756,NCc1ccc(cc1)-c2cccnc2Cc3ccc(cc3)Cc4ccccn4 -MOL_01_029757,Fc1ccc(cc1)N(CCCN)C(=O)CCC(=O)CCNC2=NCc(c23)cccc3 -MOL_01_029758,CCc1nc(C)ccc1CNC(O)NC(C)Cc2c(C)nn(C)c2C -MOL_01_029759,COC(O)c1ccc(cc1)CCn2cnc(c23)C(O)CC=CC3 -MOL_01_029760,NC1CN(C1)C(O)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)nc4 -MOL_01_029761,NCc1ccccc1C(N)NCC2(c3ccccc3)CCC(CC2)CC(N)Nc4ccccc4 -MOL_01_029762,CCNC(=O)c1cc(CN)cc(F)c1CCC(C)C -MOL_01_029763,c1cccc(c12)c3c(cc2C(C)N)ncc(c3)CN -MOL_01_029764,FC(F)(F)c1cc(ccc1)CN2CCC(CC2)C(=O)Nc3ccccc3N4CCOCC4 -MOL_01_029765,Cc(c1)ccc(c12)NC(C)C(=N)N2CC(=N)N3CCCCC3 -MOL_01_029766,CCCCc1nnc(o1)C(O)Cc2ncc(C)c(OC)c2C -MOL_01_029767,Cc1cnn(c1)CC2CNCN(C2)c(n3)cnc(c34)cccc4 -MOL_01_029768,CCc1ccc(cc1)C(O)c2nnn(c23)CCN3 -MOL_01_029769,FC(F)(F)c1ccccc1CN(C)C(=O)n2cnc(n2)CC(CC34)C(C3)CC4 -MOL_01_029770,Cc1ccc(c(c1)CO)CC(O)COC(O)Cn2cnc(c23)cccc3 -MOL_01_029771,NC1CCCN1c2ccc(nc2)Cc(c3)ccc(c34)CCN(CC4)C5CCC5 -MOL_01_029772,Cc1cc(C)c(c(C)c1)NC(=O)CNC(=O)CCC(=O)Cc2ccccc2C -MOL_01_029773,CCCCOc1ccc(cc1)C(O)OCC(O)c2c(C)c(C)c(O)c(C)c2O -MOL_01_029774,NCc1ccc(cc1)CCNCc(c2)ccc(c23)CCC(N3)O -MOL_01_029775,C1CCc(c12)ccc(c2)C(N)CCc3n(C)c(nn3)C(C4)CCc(c45)cccc5 -MOL_01_029776,Cc1ccc(cc1)C(=O)c(c2)ccc(c23)nc4c(n3)cccc4C(=O)CN -MOL_01_029777,NCc1ccc(cc1)CNC(=O)C(C)C(C(=O)N2)C(=O)C23CCCCCCC3 -MOL_01_029778,Nc1cnc(cc1)CC(=N)c(c2)ccc(c23)C(=N)C(C3=N)c4ccccc4N -MOL_01_029779,c1ccccc1C2(C(O)CC(O)CC2O)c3ccccc3 -MOL_01_029780,Cc1ccc(cc1F)-n2ccnc(c2=O)CCC(=O)NC3CCCC3 -MOL_01_029781,NCc(c1)ccc(c12)CCC(=C2)C(N)c3cccc(N)c3N -MOL_01_029782,Cc1nc(ON)n(c(=O)c1CO)Cc2ccccc2 -MOL_01_029783,Cc1ccc(cc1)CNC(N)c2ncn(c2N)-c3cccc(C)c3 -MOL_01_029784,c1cccc(c12)cc(cc2N)C(N)C3CCCCC3 -MOL_01_029785,NC(N)Cc1ccc(cc1)CCC(=O)c(n2)cc(n23)cccc3 -MOL_01_029786,Clc1ncc(cc1)C(N)Cc2ccc(cc2Cl)C3CCCCO3 -MOL_01_029787,CCCC(=O)N1CCN(CC1)C(=O)CCc2ccc(Cl)cc2C -MOL_01_029788,CCCCC(O)NCc1cc(C(N)O)c(c(F)c1F)Nc2ccc(N)cc2F -MOL_01_029789,NOc1cc(N)c(Cl)cc1C(N)NCC2CCN(CC2)Cc3ccc(F)cc3 -MOL_01_029790,NCc(c1)c(C)cc(c12)C=CC3C(C2=O)CCC3 -MOL_01_029791,NOc1cc(nc(n1)N)CCc2ccc(cn2)CCCOc3cccnc3 -MOL_01_029792,Oc1ccc(cc1C)-c2cc(ccn2)-c3ccncc3 -MOL_01_029793,c1cccc(c12)C(N)C3=C(C2N)CC(C3)c4ccc(Cl)cc4 -MOL_01_029794,Cc1ccc(cc1)C2=NCN(C)C(=C2)C(=O)NCc3ccccn3 -MOL_01_029795,C1CCCCC1NC(N)c2ccc(C)c(c2)-c3ccc(cc3)C(N)NCC4CC4 -MOL_01_029796,COc1cccc(c1)-n2nnnc2CCC(O)Nc3cccc(n3)C -MOL_01_029797,Cc1cc(cc(n1)N)CC(N)c2cc(C(F)(F)F)ccc2Oc3ccc(F)cc3C -MOL_01_029798,NCc(cc1)cc(c12)nc(cc2C)CCC(N)NC3CCCCC3 -MOL_01_029799,Cc(c1)ccc(c12)cc(CN)c(n2)CCC(N)NCC3CCCC3 -MOL_01_029800,NC1C=CC(N)N1Cc2ccc(cc2)-c3ccccc3 -MOL_01_029801,COc1ccccc1CNC(=N)c2ccc(N3CCCC3)c(c2)NC(=N)NCc4ccccc4 -MOL_01_029802,c1cccc(c12)nc(n2C)C(C)c3cccc(c3)CN -MOL_01_029803,C1CCCCC1Cc2cc(ncc2N)CC(=O)C3(N)CCCCC3N -MOL_01_029804,CC(N)c(c1)ccc(c12)ncc(c2C)C(N)NC3CCCCCC3 -MOL_01_029805,N=C(N)c(cc1)cc(c12)ccn2CC(=N)CNc3ccc(cc3)Cc4ccccc4 -MOL_01_029806,CCc1ccc(Cl)cc1NC(N)CN(C)C(N)c2ccc(cc2)-n3cncn3 -MOL_01_029807,NC(=N1)COCC1(N)c2cccc(c2)NC(N)c3ccc(Cl)cn3 -MOL_01_029808,Clc1cc(ccc1)CN2CCC(CC2)C(N)Nc3ccc(cc3)Cc4cccnc4 -MOL_01_029809,CNN1CN(N(C)N1C)c2ccc(CNc3ccccc3)cc2CNc4ccccc4 -MOL_01_029810,CCc1ccc(nn1)Oc(n2)nnc(c23)C(C)=CC3 -MOL_01_029811,c1cccc(c12)c(C)nc(n2)CN(CC)CC(O)Nc3cccc(C)c3 -MOL_01_029812,n1cccnc1CC(=O)c2c(O)ccc(c23)cc(cc3)-c4cccc(O)c4 -MOL_01_029813,CCc1ccc(Cl)cc1CC2CNC(=N)CN(C2=N)C(=N)NC(C)c3ccccc3 -MOL_01_029814,CC(C)CCC(N1)Nc(c12)ccc(c2)-c3cncc(c3)CN -MOL_01_029815,Cc1cncc(c1)CCc2ccc(nc2)N(C3)C(=N)CC3(C)C -MOL_01_029816,CCCC(O)c1ccc(cc1)NC(O)N2CCCc(c23)cccc3 -MOL_01_029817,Cn1ccc(c12)ccc(c2)C(=N)N3CCN(CC3)C(=N)OC(C)(C)C -MOL_01_029818,NCc(c1)ccc(c12)nc(C)c(c2C)CN3CCCCC3 -MOL_01_029819,CCc(c1)ccc(c12)c(CC)ccc2C(N)CC(C(N)N)C3(C)CC3 -MOL_01_029820,Cc1nc(N)nc(c12)CC(C)C(=N2)c3ccccc3 -MOL_01_029821,FC(F)(F)c1cc(ccc1)C(O)Nc2ccc(C)c(c2)C(O)Nc3cnc(nc3)NC4CC4 -MOL_01_029822,C1NCNCC1c2cc(C)c(cc2)NC(O)c3ccc(CN)c(n3)C -MOL_01_029823,NCc1cccc(c1)C2CCN(CC2)C(N)c3ccc(o3)CCc4cccnc4 -MOL_01_029824,C1CCCN1CC(=N)c2ccc(cc2)-c3ccc(cc3)C(=N)CN4CCCC4 -MOL_01_029825,Cc1ccc(cc1)NC2=C(C(N)NC2N)c3cccc(c3)CN -MOL_01_029826,NCc1cccc(c1)CCC(O)N2CCCc(c23)ccnc3 -MOL_01_029827,O=C(N1)N(C)Cc(c12)cc(cc2)NCc3ccccc3C(F)(F)F 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-MOL_01_029845,Fc1ccc(cc1)Cn2c(N)c(cc2N)C(N)Nc3cccc(c3)Cc4ccccc4 -MOL_01_029846,CNc1ccccc1N(C(=O)CN)c2ccccc2C -MOL_01_029847,N=C(O)c1cccc(c1)Cn(c2=N)ccc(c23)cc4c(c3)CCC4 -MOL_01_029848,FC(F)(F)c1cc(ccc1)N(C)C2NNCC(C2=N)Cc3ccccc3 -MOL_01_029849,CCCC(=O)c(c1)ccc(c12)nc(C(F)(F)F)c(n2)C(=O)C -MOL_01_029850,CC(C)(C)c(c1)ccc(c12)C(CC2)C(=O)C3=NC(=O)N=N3 -MOL_01_029851,c1ccoc1C(=N)N(CCCC2)CC23CCC(=N)N(C3)c4ccccc4 -MOL_01_029852,c1ccccc1-n2c(nnc2C)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_029853,NCc1ccccc1N2CCN(CC2)CCCCNC(N)c(c3CN)ccc(c34)cccc4 -MOL_01_029854,COc1cc(OC)nc(n1)NC(=O)NCc2c(C)cc(n23)cccc3 -MOL_01_029855,CNc1c(C(C)C)nc(C(C)C)c(NCN)c1-c2ccc(F)cc2 -MOL_01_029856,Cc1ncc(CO)n1CCOC(=O)c2ccccc2OCc3ccc(C(F)(F)F)cc3 -MOL_01_029857,NCc(c1)c(CN)cc(c12)C(C)N(CC2)C(O)NCc3ccccc3 -MOL_01_029858,NC(N=1)=NC(=O)C(C12)=NC(=N2)CCc3cccc(c3)C(=O)O -MOL_01_029859,c1ccccc1CN(C(N)c(c23)cccc3)C2(c4ccccc4)NCCc5ccccn5 -MOL_01_029860,NC(N)C(C(=O)C1)Cc(c12)ccc(c2)C(=O)CC3CCCCC3 -MOL_01_029861,N=C(N1)CC(N)Nc(c12)c(ccc2)C(=N)NC(N)c3ccccc3 -MOL_01_029862,c1cccc(c12)nc(NN)n2CNNCCc3cccc(N)c3 -MOL_01_029863,c1ccccc1CC(c2n(CC)c(nn2)CC)NCc3ccc(Cl)cc3 -MOL_01_029864,C=C(C)NNC(=C)Cc1cc(c(C)cc1CC)CC(C(N)NN2)c(c23)cccc3 -MOL_01_029865,CCc1ccccc1NC(=N)N2CCC(CC2)C(=N)c3ccc(Cl)cc3 -MOL_01_029866,NCc1cc(CN)cc(c1)NC(=O)CCC(=O)c2ccccc2CCC(=O)N3CCCC3 -MOL_01_029867,c1cncn1C(C(C)(C)C(N)CC)c2ccc(cc2)Nc(c3)ccc(c34)CCC4 -MOL_01_029868,NCc1ccc(cc1CN)CC(N)NCCCN2CCN(CC2)c3ccccc3F -MOL_01_029869,CC(O)c1ccc(cc1)NC(O)c2ccc(c(NBr)c2)-n3cncn3 -MOL_01_029870,FC(F)(F)c1ccc(cc1)C(N)NC(C)(CN)COc2cc(CN)ccc2C(F)(F)F -MOL_01_029871,CCOC(O)C1CCC(CC1)Cc2c(c(C)n(C)c2C)C(O)C3CCCCC3 -MOL_01_029872,COCCc1ccn(c1C)CCCc2cn(nn2)CCc3ccn(c3C)Cc4ccccc4 -MOL_01_029873,CCCCCCC(C(C)O)n1cnc(c1C)C(=O)CCC -MOL_01_029874,CCN(CC)C(N)c1ccc(cc1)C(=C2)c(cccc3)c3CC24CCCNCC4 -MOL_01_029875,CNCc1ccc(cc1)-c(c2N)ccc(c23)cc(cc3)CCC4(N)CCCC4 -MOL_01_029876,c1ccccc1CC(=N)N(CC2)CCC23CCCN(C3)c4ccncc4 -MOL_01_029877,CC(C)(C)c1cnc(nc1)Cc(c2)ccc(c23)nc(cc3)C(O)N4CCNCC4 -MOL_01_029878,CCc1ccc(cc1)NC(O)NC(CCN(C)C)c2ccc(Cl)cc2 -MOL_01_029879,CCCCCCNC(=C)c1ccc(CN)c(c1)CC2CCN(C(C)C)CC2 -MOL_01_029880,c1cccc(c12)CCCCC2C(=N)c3ccc(cc3)-n4ccc(n4)N -MOL_01_029881,NCNCCC1(NC)CCCN(C1)CCc2ccccc2 -MOL_01_029882,c1ccc(n12)ncc(c2N)CC(N)c3ccccc3Cl -MOL_01_029883,C1CCCC1CNC(c2ccccc2)C(=C)Nc3cc(N)ccc3CN -MOL_01_029884,c1cccc(n12)nc(N)c2C(=N)CC3CCCCC3 -MOL_01_029885,Cc1ccc(Cl)cc1NC(=O)C(O2)NOc(c23)cccc3 -MOL_01_029886,c1ccccc1COc2cc(NC(=O)C)nc(n2)CCc3ccccc3 -MOL_01_029887,c1ccccc1C2C(C(=N)NNC)CC(=N)Cc(c23)ccc(Cl)c3 -MOL_01_029888,c1cccc(c12)C(C)(C(F)(F)F)c3c2ccc(c3)-c4ccc(C(=N)N)cc4 -MOL_01_029889,c1cccc(c12)cc(O)n2CC(O)NCc3ccccn3 -MOL_01_029890,C1CCCCN1CCNc2ccc(c(c23)C(N)c4c(C3N)cccc4)NCCN5CCCCC5 -MOL_01_029891,c1ccccc1C(N)Cc2nc(C(Cl)(Cl)Cl)nc(c23)cccc3 -MOL_01_029892,Cc1ccc(cc1)CCNc2nc(CN)nc(n2)-c(c3)ccc(c34)nccc4 -MOL_01_029893,C1CNCc(c12)ccc(c2)-c3cc(C(=O)C)ccc3CCc4ccccn4 -MOL_01_029894,c1cc(C)ccc1C2(c(cc3)ccc3C)CC2C(=N)Nc4ccncc4 -MOL_01_029895,C1CCc(c12)ccc(c2)C(N)Nc3ccccc3N4CCN(CC4)C(N)c5ccccc5 -MOL_01_029896,CCCCCc(c1)ccc(c12)cc(cc2)CNC(C(=O)C)CCC(=O)C -MOL_01_029897,CNC(N)CN(CC1)CCC1(CN)c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_029898,Nc1c(Cl)cccc1NC(=O)C(C(N)N)NC(=O)c2ccccc2Cl -MOL_01_029899,C1CCCCC1CNC(=O)c2ccc(cc2)C3CNNNC3 -MOL_01_029900,Clc1ccc(cc1)C(C)C(=O)c2cnc(ON)cc2C(C)(C)C -MOL_01_029901,CCN1CCN(CC1)C(C(=O)N)CNC(=O)c2ccc(cc2)CCc3ccc(C(F)(F)F)cc3 -MOL_01_029902,CCc1ccc(cc1CC)CC2NC(=O)C2C(=O)CCc3ccccc3 -MOL_01_029903,CCN(CC)CCNC(=C)c1cccc(c12)cc3c(n2)cccc3N -MOL_01_029904,c1ncnn1CC(N)CC(c(c2)ccc(c23)OCCO3)CCc4ccccc4 -MOL_01_029905,CCN(CC)CCN(C1=N)CCCc(c12)cc(N)c(Cl)c2 -MOL_01_029906,Nc1ccc(cc1N)C2CC(NC2=C)CCc3cc(F)ccc3F -MOL_01_029907,c1ccccc1C(=N)NC(Cc2ccccc2)C(=N)CCCC(=N)N3CCCC3C(=N)N -MOL_01_029908,CCN(C1)CC(C12)C2CN(C(=N)c3cn(C)cn3)Cc4cccc(Cl)c4 -MOL_01_029909,c1ccccc1C(C(=N2)C)=CC2(N)CC(=N)Nc3ccccc3 -MOL_01_029910,c1cccc(c12)nc(C)c(c2)CN(C(C)(C)C)C(N)C3CCCCC3 -MOL_01_029911,c1ccccc1/C=C(\C(=O)CC2CCCO)C2(O)CCCc3ccccc3 -MOL_01_029912,Cc1ccc(cc1Cl)CN(CC2)CCC2(C(N)N3CCCC3)CNCc4ccccc4 -MOL_01_029913,CC1CN(CCN1)Cc2ccc(cc2)CC(N)N3CCC(CC3)Cc4ccc(CN)cc4 -MOL_01_029914,C1CCCCN1C(c2occc2)CNC3=NCc(c34)cccc4 -MOL_01_029915,CC(=O)c1cccc(c1)-c2cc(ccc2C)CC(=O)NC3CCCCC3 -MOL_01_029916,Cc1ccc(cc1)C(=O)NCCc2nnc(n2C)CCC(=O)Nc3cccc(c3)C(=O)O -MOL_01_029917,CC(O)c1ccc(nc1)-c2cc(C(C)O)ccn2 -MOL_01_029918,Fc1cnc(cc1)NCc2cc(CN)c(cc2)Cc3cnc(CC(F)F)c(Cl)c3 -MOL_01_029919,CCCC(=O)CC1C(=O)CC(C(=C1C)C(=O)CC)c2ccccc2 -MOL_01_029920,Nc1cc(O)nc(n1)CCC(=O)Nc2ccc(Cl)cn2 -MOL_01_029921,Cc1cncc(c1)C(=N)Nc2ccc(C)c(c2)CN3CCC(CC3)C(=N)NC(C)(C)C -MOL_01_029922,FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(O)Nc2cccnc2 -MOL_01_029923,CNc1cnc(C)n1CCOC(N)c2ccccc2OCc3cccc(Cl)c3 -MOL_01_029924,NCc(c1)ccc(c12)ccc3c2CC(N)C(C3)c4cc(F)ccc4F -MOL_01_029925,c1cccc(c12)CC(C2)CC(=O)N3CCC(CC3)CNc4ncccn4 -MOL_01_029926,Cc1ccc(cc1C)NC(N)Nc(c2)ccc(c23)CCC(N)N3C -MOL_01_029927,NC(=O)c(c1)ccc(c12)NNC(N2)CC(=O)CCc3cccnc3 -MOL_01_029928,C1CC1C(N)C(C2(C)C)=CC(=C2)c3cc(Cl)ccc3N -MOL_01_029929,c1cccc(c12)c(N)cn2CC(=N)NC3CCN(CC3)CC4CC4 -MOL_01_029930,Cc(n1)cc(C)c(c12)c(C)nc(n2)CCC(=O)C3CCCCC3 -MOL_01_029931,NCc1ccccc1NC(O)C2CN(C2)C(O)c(c3)ccc(c34)OCO4 -MOL_01_029932,Cc1ccc(cc1)C(=N)C(CN(C)CC2)C2(O)c3ccc(C)cc3 -MOL_01_029933,FC(F)(F)Cc1ccc(cc1)C(C(C)C)NC(O)c2cc(O)nc(n2)N(C)C -MOL_01_029934,COCc1c(CO)c(C)nc(c1CC)CCCc2ccccc2 -MOL_01_029935,c1cccc(c12)nc(C)c(n2)CCC(O)Nc3ccc(F)cc3 -MOL_01_029936,Cc1c(C)c(C)c(cc1C)C(N)Nc2cc(Cl)ccc2-n3cncn3 -MOL_01_029937,Cc1cccc(C)c1NC(=O)CNC(=O)C2=CN(CN)N(C=C2)CNc3ccccc3 -MOL_01_029938,CNc1cccc(c1)NC(=N)NC(CCN(C)C)c2ccc(Cl)cc2 -MOL_01_029939,Oc(c1)ccc(c12)ncnc2CCCc3ccc(Cl)cc3 -MOL_01_029940,CC1CCN(CC1)C(=O)CCC(=O)c2cccc(c2)CN(C)c3ccccc3 -MOL_01_029941,NCc1c(F)cc(cc1Cl)CN(CCC2)CCC23CNC(=O)C3 -MOL_01_029942,NCc1ccccc1CCc2ccc(cc2)C(=O)NCC3CCCC3 -MOL_01_029943,c1cccc(C(=O)C2)c1CC23CCN(CC3)C(=O)NC4CC4c5ccccc5 -MOL_01_029944,Cc1cc(O)nc(n1)CCC(=O)c(c2)ccc(c23)OCCO3 -MOL_01_029945,CCc1c(C)cc(CC(=O)N)nc1OCCCN -MOL_01_029946,c1ccccc1CN(C)C(=O)CN(c2ccc(F)cc2)Cc(c3)ccc(c34)OCCO4 -MOL_01_029947,C1CNCCN1CCNc2ccc(c(c23)C(O)c4c(C3O)cccc4)NCCN5CCNCC5 -MOL_01_029948,CC(=N)c1ccccc1NC(=N)C2CCC(CC2)N(C3=N)C(=N)C4C(CC5)CC5C34 -MOL_01_029949,OCCC(C(C)C)NC(=O)c1cc(c(Cl)cn1)CCC2CC2 -MOL_01_029950,NCc(c1)ccc(c12)nc(C)c(c2)CN(C(N)OCN)c3ccccc3 -MOL_01_029951,CCCCN(C)C(=O)C1CCC(CC1)CN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_029952,NCOC(N)c1ccc(cc1)OCCC2CC(C2)c3ccc(N)cc3 -MOL_01_029953,FC(F)(F)Oc1ccc(cc1)C(N)NC(C)(CN)COc2cc(CN)ccc2C(F)(F)F -MOL_01_029954,c1ccccc1C(c2ccccc2)C(N)NCNc3cccc(Cl)c3 -MOL_01_029955,c1cccc(c12)CCN(C2)CC(O)CNC(N)CCc3ccccc3C4CCNCC4 -MOL_01_029956,Cc1c(C)cc(c12)nc3c(c2)c(C)cc(o3)O -MOL_01_029957,c1ccccc1C2=C(C(=C)CCC)C(C(=C(C2)N)CN)C3CCCCC3 -MOL_01_029958,CCn1cc(cn1)C(O)Nc2ccc(C)cc2C(O)NC -MOL_01_029959,C1C(C2)CC(C3)CC1CC23C(=N)N(C4)CC(C45)CN(C5)c6ccccc6CN -MOL_01_029960,CCc1cc(N)c(Cl)cc1NC(=O)CCCN2CCC(C)CC2 -MOL_01_029961,CCCc1ccc(c(Cl)c1)-c2cc(CN)c(C)c(c2)CN -MOL_01_029962,CNC(N)NC(N)CCCCc1cc(Cl)cc(c12)cccn2 -MOL_01_029963,c1cccc(c12)C=C(NC(=N)C2CN)c3cccnc3 -MOL_01_029964,O=C(O)C(C)Cc1nc(C)c(CO)c(=O)n1C -MOL_01_029965,Clc1cccc(c12)cc(N)c(n2)C(N)c3ccccc3 -MOL_01_029966,NCCCCc(c(F)n1)nc(c12)cc(cc2)ON -MOL_01_029967,c1cccc(C(=O)C2)c1CC23CCN(CC3)C(=O)NC(C4)CCc(c45)cccc5 -MOL_01_029968,CCCC(=O)c1nnc(nc1O)-c2cccc(c2)C(C)(C)C -MOL_01_029969,NNc1ccc(cc1)C2(N)CN(C2)CCCn3c(cccc4)c4c(c35)cccc5 -MOL_01_029970,C1CCC(N)=NC1(C)c2c(C)cc(C)c(c2)CNCCC(C)(C)C -MOL_01_029971,CCCC(=O)Nc1cc(c(N(C)C)c(n1)N)NC(C)C(C)Cc2ccccc2 -MOL_01_029972,NCc1ccccc1C(C2=CCC(N)=C2)C(N)CCc3ccccc3 -MOL_01_029973,CCc1cnc(nc1CC)Cc2ccc(cc2OC)C(O)C3CCC3 -MOL_01_029974,c1cccc(n12)nc(C)c2C(=N)CCc3ccc(Cl)cc3 -MOL_01_029975,CCc1cc(C(N)N(C)C)c(cc1CC)NC(N)c2ccc(F)cc2Cl -MOL_01_029976,NCc1ccccc1N2CCN(CC2)CCCCNC(N)C3CCC(CC3)c4ccccc4 -MOL_01_029977,C1CC1COc2ccc(cc2C)C(C)NC(=O)C3=NC(=O)N=N3 -MOL_01_029978,c1ccncc1C(=O)CC(C(=O)c2ccccc2)Cn3nnc(c34)cccc4 -MOL_01_029979,CN(O)c1ccc(CN)c(c1)NC(=O)Cc2ccccc2CN -MOL_01_029980,c1ccccc1CNC(=C)Cc2ccc(cc2)CNC(N=3)=CC(=C)N(C34)C=CC(=C4)N -MOL_01_029981,Cc1ccc(cc1)C(CCN(C)C)NC(=N)c2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_029982,CNCc1ccc(F)c(c1)CCc2cc(Cl)ccc2NCC(=N)N -MOL_01_029983,CCc1ccc(c(C)c1)NC(N)c2cccc(N)c2C(N)NC(C)C -MOL_01_029984,COc1ccccc1CC(N)c2ccc(cc2)CC(N)CC3CCCC3 -MOL_01_029985,NCc1ccc(cc1)CC(c2ccc(CN)nc2)Cc3ccc(cn3)-c4ccccc4 -MOL_01_029986,c1cccc(c12)CC(CNC2)Cc3cc(cnn3)N4CCCC4 -MOL_01_029987,CNc1ccccc1C(N)CCCCC2=C(C(N)CC2)c3ccccc3 -MOL_01_029988,CCc1cc(c(CC)cc1Cl)NC(O)C(O)NCCN2CCNCC2 -MOL_01_029989,CCN(CC)C(O)c1ccc(cc1)NC(O)CN(C2)CCC(C2=3)=CN(CN)N(C3)CN -MOL_01_029990,Cc1c(C)c(CN)c(nc1C)CCC(=O)N2CCNC2=O -MOL_01_029991,Cc1cnccc1C(O)N2CCCC(C2)c3nccn3C -MOL_01_029992,NCCNC(=O)c1c(F)ccc(c1F)CCC(C2)CCc(c23)cccc3 -MOL_01_029993,CC(F)c1cc(CN)c(CN)c(CN)c1-c(c(CF)c2)cc(c23)CNC3 -MOL_01_029994,CCc1ccc(cc1)C2=C(C(=O)CC2=O)Cc3cccc(c3)C(=O)C -MOL_01_029995,n1cccc(c12)cccc2CN(C)c3ccccc3C(=O)O -MOL_01_029996,C1CCCCN1Cc2cn(C)c(c2)C(N)NCCc3ccc(CN)c(c3)CN -MOL_01_029997,CC(=N)c1ccc(cc1)NCc(c(N)c2)cc(c23)OCC3 -MOL_01_029998,Clc1cc(ccc1)N2CCN(CC2)C(=N)c3cccc(c3)N4CCCC4=N -MOL_01_029999,Cc(n1)cc(N)c(c12)cc(cc2)NC(=N)c3ccccc3NCc4ccccc4 -MOL_01_030000,c1cccc(c12)C(C(C)(C)C(C2)=C)C(=C)CCC(=C)N3NNNNN3 -MOL_01_030001,Cc1ccc(cc1)COC(O)NC(C)c2nnc(n23)CCCCC3 -MOL_01_030002,ClCC(N)Nc1ccc(cc1)-n2cnc(c2)C(O)(c3ccccc3)c4ccccc4 -MOL_01_030003,CN(C)CCNC(O)c(n1)cc(n12)CN(CC2)C(O)CC(C)(C)C -MOL_01_030004,CCCC(=O)CCc1nc(cc(n1)C(F)(F)F)-c2ccccc2 -MOL_01_030005,CC(C)N(CC1)C1(C)C(O)Nc2cccc(CN)c2CN -MOL_01_030006,ONc1cc(ccc1)CC(N)N2CCCCC2CN3CCCC3 -MOL_01_030007,c1cccc(c12)n(CC)c3c2cc(cc3)C(N)c4cc(NC)c(NC)c(c4)NC -MOL_01_030008,O=C(O)C(CC1)CCC12CC(=C(CN)C(=O)N2)CCc3ccc(O)cc3 -MOL_01_030009,c1cccc(c12)c(nnc2C)C(O)N3CCN(CC3)c4ccccc4Cl -MOL_01_030010,CCCNC(=C)CCC1c(nnnn2)c2c(c13)nnnn3 -MOL_01_030011,c1cccc2c1C(c(c23)cccc3)CC(N)CC(N)c4c(Cl)cccc4Cl -MOL_01_030012,Cc1cccc(c1C)NC(N)CN(C)C(N)c(n2)ccc(c23)cccc3 -MOL_01_030013,NC(C1)CN=C1N(c(cc2N)ccc2)C(=N)Nc3ccc(Cl)c(Cl)c3 -MOL_01_030014,NCc1cccc(c1)C(N)CCCN2CCC(CC2)Cc3ccccc3 -MOL_01_030015,NCc1cccc(c1)C(O)Nc2cccc(c2)Nc(c(Cl)c3)cc(c34)c(O)nnc4O -MOL_01_030016,NC(=O)CC(C)NC(CC)c1ccc(C)c(c1C)C(=O)c2ccc(C(=O)O)cc2 -MOL_01_030017,N=C(N)Cc1cc(ccc1N)-c(c2)ccc(c23)cc(N)cc3 -MOL_01_030018,c1ccccc1-n2cc(cn2)C(=O)Nc3ccc(F)c(c3)CN4CCCCC4 -MOL_01_030019,Cc1cc(C)nc(n1)CCC(=O)Nc2cccc(c2)CCc3ccc(cc3)NCC4CC4 -MOL_01_030020,Cc1nn(C)c(CN)c1CNCc2cccnc2CC3CCCC3 -MOL_01_030021,Cc1ccc(cc1)NC(=O)Cc2nnc(n2C)CCC(=O)NC3=NCCC3 -MOL_01_030022,NCc1cc(ccc1)CNC(=C)Cn2ccc(c23)cc(cc3)CC4CCCC4 -MOL_01_030023,NCc1ccccc1C2(c3c(CN)c(=O)c3=O)CCCCC2 -MOL_01_030024,CC(=O)NC(CCN)C(=O)NCc1ccc(cc1)Cc2cccc(C(F)(F)F)c2 -MOL_01_030025,Cc1ccccc1C2C=C(c(c3)ccc(c34)CNC4)NC(N2)c5ccc(CN)c(c5)CN -MOL_01_030026,c1ccccc1C(N(C)C)CNC(=O)c2cc(CC)c(cc2)CCC(=O)N3CCCCC3 -MOL_01_030027,CCCCC(C)C(=O)C1CCC(CC1)CN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_030028,CCCN(CC)c(cc12)cc(c1)C(=N)NC(C)CCc3cccc(c3)CC(C)(N)CNC2 -MOL_01_030029,O1CCOc(c12)ccc(c2)C3=NN(C(O3)=C)CNc4cccc(F)c4 -MOL_01_030030,CCCN1C(=O)CN(C1=C)Cc2ccc(cc2)-n3nc(C)cc3C -MOL_01_030031,c1ccccc1CC2(C(N)CCC)CCN(CC2)Cc3cccc(CN)c3C -MOL_01_030032,NCc1ccc(nc1)Nc2ccc(cc2)Cc3nccnc3C4CCCCC4 -MOL_01_030033,CCCCC(=N)NCc1ccc(CC(C)C)cc1-c2ccc(cc2)Cn3cncn3 -MOL_01_030034,Cc1ccc(C)c(c1)CNc2cccc(c2)C(=O)NC(C(C3)CC(C4)C5)C4CC35C(=O)N -MOL_01_030035,NCc(cc1)cc(c12)C(C(C)C(C2)(C)C)Cc3cccnc3N -MOL_01_030036,NCc1ncc(cc1)C(C)C(=O)C2CC(C2)Cc3cc(F)cc(F)c3N -MOL_01_030037,NOc1ccc(cc1)CCCc2n(C)c(nn2)CCc(n3)nc(O)c(c34)cccc4 -MOL_01_030038,Cc1ccc(C)c(c1)N2CCN(CC2)Cc3cnc(N)nc3 -MOL_01_030039,CC(=N)N1CCCCC(C1)Cc(c2)ccc(c23)n(cc3)C(C)=N -MOL_01_030040,Cc1ccc(cc1C(C)O)NCn2c(C)nc(c23)cccc3 -MOL_01_030041,Cc1ccc(F)c(c1)NC(N)Nc2ccccc2CCc(n3)ccc(n34)ncc4 -MOL_01_030042,c1cccc(c12)c(cc(n2)C)CNC(O)CCc3ccc(C)c(C)c3 -MOL_01_030043,NCc1c(CN)cc(cc1CN)CC(=O)Cc2cccc(c23)cccn3 -MOL_01_030044,Clc1ccc(cc1)CC(C(=N)NCCCO)NC(=N)C2(CC2)c3ccc(Cl)cc3 -MOL_01_030045,CC(=N)c1ccc(cc1)C2(CC2)NC(=N)C3CCCCN3CCCc4ccccc4 -MOL_01_030046,Clc1cc(ccc1)C(=O)Nc2cccc(n2)Cc3ccc(C(F)(F)F)nc3 -MOL_01_030047,CCN1CNCc(c12)cc(cc2)C(C)Cc3ccccc3CN -MOL_01_030048,Fc1ccc(cc1)C(N)c2cc(CCC(N)N)cc(c2)CCNCc3ccc(Cl)cc3 -MOL_01_030049,c1cccc(c12)nc(nc2C)CCC(N)CCC(N)NC(c3ccccc3)c4ccccc4 -MOL_01_030050,Cc(c1)ccc(c12)C(N)C(C)(C)C=C2c3ccccc3N -MOL_01_030051,Cc1cc(C(=O)CN)ccc1NCc2c(Cl)cccc2Cl -MOL_01_030052,NCCCNC(=O)Nc1cc(C(C)(C)C)c(cc1)-n2cncn2 -MOL_01_030053,NCCc1ncccc1C(N)NCC2(CCCCC2)N3CCCCC3 -MOL_01_030054,CC1CC(CC1C)CCc2ccc(Cl)cc2NC(=O)Nc3cnc(cn3)CN -MOL_01_030055,CCN(CC)C(N)c1ccc(c(C)c1)C(=C2)c(cccc3)c3CC24CCNCC4 -MOL_01_030056,Fc1ccc(cc1)C2(CC2(N)N)C(N)CCCCc3cccnc3 -MOL_01_030057,CCCCC1=CC(=CC1=O)c2cccc(c2)-c3cc(F)ccc3CN -MOL_01_030058,CCc1cccc(c1)OCC(O)CCC(N)(N)N -MOL_01_030059,NCc1c(CN)cc(cc1CN)CCc2ccc(cc2)C3=Cc(cccc4)c4C(C35)=CCC5 -MOL_01_030060,NCc1cccc(c1)CC(N)CC2NC(N)(N)Cc(c23)cccc3 -MOL_01_030061,Cc1cc(C)c(CN)c(n1)Cc2cccc(c2)NC(C)N -MOL_01_030062,Cc(n1)cc(O)c(c12)cn(n2)Cc3ccccc3 -MOL_01_030063,CN(O)c1c(C)c(C)cc(c12)CCC2O -MOL_01_030064,c1ncnn1C(C)C(C)(Cn2cncn2)c3c(C)cc(C)cc3 -MOL_01_030065,c1ccccc1C2(CC(C)(C)CCC2)CCNc3ccc(CN)c(c3)CN -MOL_01_030066,CCCCC(C(C)=N)NC(=N)c1ccc(CNc2cccnc2)cc1-c3ccccc3C -MOL_01_030067,C1=CCCc(c12)c(ccc2CN)-c3ccc(CN)c(c34)cccc4 -MOL_01_030068,O=c1n(C)ccc(c1C)C(=O)NCc2cccc(c2)-c3ccccc3 -MOL_01_030069,c1cccc(c12)c(nc(n2)CCC)CCC(=O)NC3CCCC3 -MOL_01_030070,CNc(c(N)c1)cc(c12)CN(CC2)CCc3ccc(F)cc3 -MOL_01_030071,Cc1ccc(cc1CN)C2CCC(O)N2CCN3CCNCC3 -MOL_01_030072,C1CCc(c12)c3c(c(CN)c2CN)CN(CC3)CCC(c4ccccc4)c5ccccc5 -MOL_01_030073,Cc1ccc(C)c(c12)Cc3c(N=C2C)cc(cc3)C(N)NCCCCN -MOL_01_030074,CCNC(CN1)CC12CCN(C2)Cc(c3)ccc(c34)NCN4 -MOL_01_030075,NCc(c1)c(CN)cc(c12)c(cnc2CN)Cc(nc3)cc(c34)cccc4 -MOL_01_030076,C1C=CCN1CC(CCCC)N(C)C(N)Cc2ccc(CN)cc2 -MOL_01_030077,CCCC(=O)c(c1)ccc(c12)nc(C(C)(C)C)c(n2)C(=O)C -MOL_01_030078,CC(O)Cc1cc(ccc1O)C(CO)CCC(C)(C)C -MOL_01_030079,CCN(CC)C(N)c1cccc(c1)C(=C2)c(cccc3)c3CC24CCNCC4 -MOL_01_030080,CCCCCc1cccc(c1)C2(N=C(N)N(C)C2N)c3ccc(CC(F)F)cc3 -MOL_01_030081,c1ccccc1C(N)c2ccccc2NC(C(N)N)Cc3ccc(cc3)OCc4ccccc4 -MOL_01_030082,FC(F)(F)c(c1)cn(c12)cc(N)nc2NNc3ccccc3F -MOL_01_030083,CN1C(O)=C(O)N(C)c(c12)cc(c(c2)CF)C3CCOCC3 -MOL_01_030084,Cc1cc(Cl)cc(c1)NC(=N)Cc2ccc(cc2)NC3(C(=N)N)CCC(C)C3 -MOL_01_030085,CCC(O)CCCNC(O)N(C1)CCc(c12)c(C)ccc2C -MOL_01_030086,Clc1ccc(cc1)C(NC(N)CCC)c(c2C)ccc(c23)cccn3 -MOL_01_030087,NCc1ccc(cc1C)C(C)CCc(n2)cc(C)n(c23)ccc3 -MOL_01_030088,c1ccccc1C(=O)CCc2ncnc(c23)cc(Cl)cc3 -MOL_01_030089,Clc1cc(ccc1)NC(=O)c2ccc(F)c(c2)CN(CC3)CCC34OCCO4 -MOL_01_030090,C1COc(c12)cc(N)c(c2N)-c3ccccc3 -MOL_01_030091,CC(N)Cc1ccc(CC(C)N)c(c12)cc(cc2)CCCn3cnc(c34)nccc4 -MOL_01_030092,CNc1nn(cn1)CC(=C)Nc2nccc(n2)-c3ccccc3 -MOL_01_030093,COc1ccc(cc1)C(=N)Nc2ccccc2NC(=N)C3CCN(CC3)c4ccncc4 -MOL_01_030094,Clc1cc(ccc1)C(C)CNCCNc2cccc(c2)-c3cccc(c3)C(N)CN -MOL_01_030095,NCCc1ccc(cc1)-c2ccc(nn2)CCC(N)CC3CCCCC3 -MOL_01_030096,CNc1cccc(c1)CCC2=NCCN2C(=O)C3CCCC3 -MOL_01_030097,C1CCCc(c12)cccc2C(=N)NC(C(=N)NCCN)Cc3cccc(Cl)c3 -MOL_01_030098,FC(F)(F)c1ccccc1C(N)CCc2ccc(cn2)C(N)Nc3ccc(F)cc3 -MOL_01_030099,Cc1ccc(c(C)c1)C(=N)/C=C(C(=N)C2)\Nc(c23)cccc3 -MOL_01_030100,Cc(c1)ccc(n12)nc(nc2=O)CCC(=O)N3CCCCCC3 -MOL_01_030101,NCc(c1)c(CN)cc(c12)ncnc2Cc3cccc(c34)cccc4 -MOL_01_030102,CCCNC(O)c(c1C)cnc(c12)cc(Cl)cc2 -MOL_01_030103,NCc1c(CN)cc(cc1CN)CCC(C)CN2CCN(CC2)c3ccc(N)c(N)c3 -MOL_01_030104,CCCCCCCC(N)c1cccc(c1)-c2cc(ccc2CN)C(N)Nc3ccncc3 -MOL_01_030105,Clc1ccc(cc1)-n2nnnc2CCc(n3)cn(c34)cccc4 -MOL_01_030106,c1ccccc1C(C)CNC(=O)c2ccc(cc2)NC3CCN(CC3)Cc4ccccn4 -MOL_01_030107,CCc1ccc(Cl)c(c12)N=C(CC2)CC3CCC(CC3)C(=O)CCN -MOL_01_030108,CC1(C)CCCCN1C(N)c2ccc(cn2)CCc3cccc(F)c3 -MOL_01_030109,c1cccnc1CCN(C)C(=N)CCC2CCCN(C2)C(=N)c3cccc(c3)N(C)C -MOL_01_030110,CC(C)CCc1c(CC(C)O)c(O)cc(c12)cccc2 -MOL_01_030111,NCc1ccc(cc1)NC(=N)C2(C)CCN2C(=N)Cc3ccc(cc3)-c4ccccc4 -MOL_01_030112,O=C(O)C1CCC(=N1)c(n2)ccc(c23)cccc3O -MOL_01_030113,NCc(c1)c(CN)cc(c12)CCN(C)C2CC(N)c3ccc(CN)cc3 -MOL_01_030114,CCCc1ccc(cc1)NC(N)CCN2CCN(CC2)c3ccccc3 -MOL_01_030115,CC(C)(C)COc1cc(C(N)C(C2)CC2(C)C)ncc1C3CC3 -MOL_01_030116,CNc1cccc(c1)CN(C(=N)CC2)C2(C)C(=N)NC3CCCCC3 -MOL_01_030117,CCCC(N)C1CCC(CC1)C(N)c(c(N)c2)cc(c23)c4c(cc3)cccc4 -MOL_01_030118,CCC(=O)CC(C(=O)C)Nc(c1)ccc(c12)c3c(nc2N)cccc3 -MOL_01_030119,CC(=N)c1ccc(cc1)CC2CCN(CC2)C(=N)NCc3ccc(Cl)cc3Cl -MOL_01_030120,n1cccc(c12)c(=N)n(cc2)Cc3nccn3C4CC4 -MOL_01_030121,n1cccnc1C(O)N(CNC2)CC23CCN(CC3)Cc4ccc(Cl)cc4 -MOL_01_030122,Clc1cc(ccc1)CC(=O)Nc2cnccc2CCCCO -MOL_01_030123,C1NCN(N12)C=C(C=C2)CN(C)CC(O)Nc3cc(ccc3Cl)CN4CCCC4 -MOL_01_030124,CCCNc1ccc(NCCC)c(c12)C(O)c3c(C2O)c(C)ccc3C -MOL_01_030125,CC(=O)CN(CC(=O)C)C(=O)c1cccc(c12)c(C(F)(F)F)c(cc2)CN -MOL_01_030126,CCC(=O)CCc1cccc(c12)c(=O)n(cc2)CC(=O)NCc3ccc(F)cc3 -MOL_01_030127,NCc1ccc(cc1)CNC(=N)C2CCC(CC2)CNC(=N)C(NC3)Cc(c34)cccc4 -MOL_01_030128,Nc1ncc(c(n1)N)OCc2ccc(cc2)OCCCCN(C3O)C(O)c(c34)cccc4 -MOL_01_030129,c1cccc(c12)cc(C)c(c2N)CCC(N)C3CC=CCC3 -MOL_01_030130,CCCC(CCO)Cc1nc(C)nc(c12)cc(cc2)ON -MOL_01_030131,C1CCCC1NCC(=N)N2CCC(CC2)C(N)c3ccc(F)cc3 -MOL_01_030132,Cc1cncc(c1)C(O)Nc2ccnc(n2)CN3CCC(CC3)C(O)NC4CCCCC4 -MOL_01_030133,Cc(c1)ccn(c12)c(=O)nc(n2)CCC(=O)N3CCCC3 -MOL_01_030134,Cc1ccc(c(C)c1)-c2ccc(CC(N)c3ccccc3)c(c2)C(N)N4CCN(C)CC4 -MOL_01_030135,Cc1cc(C)c(C)c(c1C)OCC(=O)NC(=O)NC2CCCC2 -MOL_01_030136,Cc1cccc(c1)C(N)C2CCN=C2CCc3cccnc3 -MOL_01_030137,NCCC(=O)c1cnc(-c2ccccc2)nc1Cc3ccc(Cl)cc3 -MOL_01_030138,Clc1ncc(cc1)C(=O)CCc2ccccc2-c3cccnc3 -MOL_01_030139,c1cncn1CC(C(=O)OCC(C)C)CC(=O)c(n2)cnc(c23)cccc3 -MOL_01_030140,Fc1ccc(F)cc1CC(=N)c2ccc(=N)n(c2)Cc3cccc(N)c3 -MOL_01_030141,OC1NC(O)=C=C1c2ccc(CC)c(c2)C(O)NCc3ccc(C(F)(F)F)cc3 -MOL_01_030142,NCc1ccc(cc1)-n2cnc(c2)CN(C3O)C(O)c(c34)cccc4 -MOL_01_030143,NCCNC(N)C1(CCCCC1)NC(N)c2ccc(cc2)-c3ccccc3 -MOL_01_030144,Cc1ccc(cc1)C(O)CCc2nc(C)nc(c23)cccc3 -MOL_01_030145,Clc1ccc(cc1)C(=N)NCCCCN2CCCN(CC2)c3ccccc3CN -MOL_01_030146,COc1ccc(OC)c(c1)N(Cc2ccccc2)CC(F)NCC3CCCO3 -MOL_01_030147,CCCCNC(O)c1cccnc1CNC(O)Nc2nc(OC)cc(n2)OC -MOL_01_030148,C1CCCC1C(N)N(CC2)CCC23Cc4c(cccc4)CNC3N -MOL_01_030149,NCOC(=O)NC1(CC1)c2cccc(Cl)c2 -MOL_01_030150,Cc1cccc(Cl)c1C(CN)c2ccc(Cl)nn2 -MOL_01_030151,CNc1cc(CCN)nc(n1)CCc2ccc(Cl)c(Cl)c2 -MOL_01_030152,n1nnnc(c12)C(CC(=C)C)C(C2=C)Cc3nnnnn3 -MOL_01_030153,C1CNCCC1(C(=O)N)Cc2ccc(cc2)Cc3ccc(Cl)cc3 -MOL_01_030154,CN(C)CCCNC(=N)C(Cc1ccc(Cl)cc1)NC(=N)C2(CC2)c3ccc(Cl)cc3 -MOL_01_030155,Cn1ccc(c12)cc(cc2)C(=O)c3ccc(CN)c(CN)c3CN -MOL_01_030156,Cc1ccc(C)c(c1)C(N)CCc2ncnc(c23)cccc3 -MOL_01_030157,NCc1ccccc1N2CCN(CC2)C3=CC(=O)CCC3 -MOL_01_030158,CC1(O)CCC(CC1)c2ccc(cc2)-c3cccc(c34)cc(ON)c(c4)ON -MOL_01_030159,c1cc(N)cc(c12)ccc(c2)CCC(=N)NC3=C(C(=N)N)CC(CC3)c4ccc(F)cc4 -MOL_01_030160,c1cccc(c12)nc(nc2C)CN(C)C(=O)c3cccc(c3)CN4CCCC4 -MOL_01_030161,Fc1ccc(cc1C)CN2CCCCC2CCNC(=O)C(=O)NCc3cccnc3 -MOL_01_030162,C1CCCC(C)=C1C(=O)Nc2ccc(cc2)C(=O)NCCCN3CCCCC3 -MOL_01_030163,CCc1ccccc1N2CCN(CC2)CCNC(N)c(c(N)c3)cc(c34)cccc4 -MOL_01_030164,CCc1ccccc1C(=O)NC(=O)C(=O)Cc2cccc(CF)c2C -MOL_01_030165,c1ccccc1C2CC(C)=C(C(=O)C2)Cc3ccccc3CN -MOL_01_030166,Clc1cccc(c12)N=Nc3c(C2C(C)=N)cccc3 -MOL_01_030167,c1cccc(c12)CN(C2)C(N)Nc3ccc(cc3)C(N)N(C4)CCc(c45)cccc5 -MOL_01_030168,C1CCCC1NC(=N)CC2C(=N)NCCN2Cc3c(F)cccc3Cl -MOL_01_030169,NCN(C=1)N(CN)C=C(C12)CCN(C2)C3CCCN(C3)CCCc4ccccc4 -MOL_01_030170,c1ccnc(c12)c(cc(n2)CC(C)C)NC3(CC3)CCCN -MOL_01_030171,Cc1ccccc1Oc2nc(nc(C)c2CO)C3CCOCC3 -MOL_01_030172,CC(=N)C1CC=CCC1C(=N)Nc2ccccc2C(=N)Nc3ccc(Cl)c(Cl)c3 -MOL_01_030173,O1COc(c12)ccc(c2)CC(O)COC(O)c3ccc(c(CF)c3)C4CCOCC4 -MOL_01_030174,CC(C)(C)C(N)Nc1ccc(cc1)C(N)c2ccc(Cl)cc2 -MOL_01_030175,C1CCCC1N(CC)C(=O)COC(=O)c2cc(ccc2F)CN3CCOCC3 -MOL_01_030176,CC(O)c1cc(ccc1Cl)-c2ccc(CO)cc2 -MOL_01_030177,c1ccccc1CC(O)c2nnc(o2)-c3cccnc3 -MOL_01_030178,CN1C(=N)CC(C(=N)N)C12CCN(CC2)Cc3ccc(Cl)c(F)c3 -MOL_01_030179,Cc1ccccc1C(c2ccc(Cl)nc2)CC3CN(C3)C(=N)N4CCCCC4 -MOL_01_030180,NCC1CCC(CC1)C2CCC(CC2)c3ccccc3ON -MOL_01_030181,CCNc(n1)nc(NCC)n(c12)c(nn2)CC(C)C(=O)c3ccc(C)cc3 -MOL_01_030182,CCc1cc(CN)ccc1CCC(C)(Cn2cncn2)c3ccc(F)cc3F -MOL_01_030183,c1cnc(n12)CC(CC(C2)CC(C)C)C(=O)Cc3ccc(ON)cc3 -MOL_01_030184,c1cccc(c12)ccc(c2)CC(=N)c3cc(N)n(c3N)-c4ccccc4 -MOL_01_030185,Cc1nc(N)nc(c1N)-c2ccc(F)cc2 -MOL_01_030186,CC(C)C(C(=O)O)NCc1ccc(cc1)-c2ccc(cc2)CNC(=O)c3ccccc3 -MOL_01_030187,Cc1cccnc1C(N)Nc2ccc(c(Cl)c2)N(C3N)Cc(c34)cccc4 -MOL_01_030188,C1=CC(=N)C(Cl)=CC12NCC(N2)c3ccc(cc3)-c4ccncc4 -MOL_01_030189,NCCCNC(=C)c1cccc(c1)CC2CCN(CC2)Cc3ccccc3CC(F)F -MOL_01_030190,NCc1ncc(n1CC)CN(CCC2)CCC2(C)c3ccc(C)cc3 -MOL_01_030191,c1ccccc1C(C)NC(=O)CCC(=O)C(C)(c2ccccc2)c3ccccc3 -MOL_01_030192,NCc1ccccc1NC(O)c2ccc(nc2)-n3cccn3 -MOL_01_030193,C1CCc(c12)nc(nc2O)CCc3ccccc3Cl -MOL_01_030194,CCC(N)NCCCCCNC(=N)c1ccc(cc1)-c2ccccc2 -MOL_01_030195,CCNc1c(C)ccc(c1F)C(C)CNC(c2ccc(CN)cc2)c3ccc(CN)cc3 -MOL_01_030196,Clc1ccc(cc1)CC(N)(N)C(=N)C(c2ccccn2)Cc3ccccc3 -MOL_01_030197,Nc1ccc(F)cc1-c(c2)ccc(c23)c(F)c(cc3)CC(N)C4NN4 -MOL_01_030198,c1ccccc1Cn2c(nnc2C)CCC(O)Nc3ncc(Cl)cc3Cl -MOL_01_030199,Fc1ccc(cc1)C(N)Nc2cc(CC)c(cc2CC)NC(N)CN3CCCCC3 -MOL_01_030200,CCC(C)CNC(N)c(n1)ccc(c12)cc(cc2)Cc3ccc(C(F)(F)F)cn3 -MOL_01_030201,CCc1ccc(C)cc1NC(N)c2nnn(c2N)CCc3ccccc3 -MOL_01_030202,O=c1n(C)c(=O)cc(n1C)CCC(=O)CCCC(=O)c2ccccc2 -MOL_01_030203,c1cnccc1CCC(=N)C(Nc2ccc(Cl)cc2Cl)c3ccccc3N -MOL_01_030204,CC(C)(C)c1cccc(c1)Nc2ncc(N(O)CN)cc2N(O)O -MOL_01_030205,CC(C)(C)c1cccc(c1Cl)C(O)N2CCN(C(O)C2)Cc3ccccn3 -MOL_01_030206,CC(N)Cc(c1)ccc(c12)cc(c(c2)N)-c3ccc(N(C)C)cc3 -MOL_01_030207,C1CCCCN1Cc2cc(ccc2CC)NC(N)CCCNC(N)c3ccc(Cl)cc3 -MOL_01_030208,CCCc1ccccc1NC(O)c2cccnc2Cl -MOL_01_030209,Cc1ccccc1CN2CCN(C(N)C2N)c3cccc(Cl)c3Cl -MOL_01_030210,CCc1cnc(C)n1CCOC(O)c2ccccc2OCc3ccccc3C(F)(F)F -MOL_01_030211,NCc1ccccc1CCCCc(n2)nc(O)c(c23)cccn3 -MOL_01_030212,CC(=N)NCCC(=N)N1CCCC(C1)C(=N)c2ccc3CCc(c3c24)ccc4 -MOL_01_030213,C1C=CCN1C(N)c2cccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_030214,CCC(N)CNc1ccc(c(c1)CN)-c2cccc(c2)C(C)C -MOL_01_030215,Fc1cc(F)ccc1-c2ccc(CC(C)N)c(c2)C(N)Nc3ccccc3 -MOL_01_030216,Cc1ncccc1C(CN)N2CCN(CC2)C(=N)CC(NCCN)c3ccccc3 -MOL_01_030217,Clc1ccc(cc1)CC(=O)CCn2cc(C(=O)O)c(n2)CCc3ccccc3 -MOL_01_030218,Nc(c1)ccc(c12)ncnc2Oc3ncccc3CO -MOL_01_030219,NCc1cc(CN)ccc1C(=C)C2CCCN(C2)Cc3ccccn3 -MOL_01_030220,CCC(C(C)C)Cc1c(N)cc(N)c(C)c1N -MOL_01_030221,CC(C)(C)NCC(C)CCc(c(c1)CN)nc(c12)nccc2 -MOL_01_030222,c1ccccc1CC(=N)N(CC2)CCC23CCN(CC3)c4ccccn4 -MOL_01_030223,Nc1c(Cl)cc(cc1Cl)CNC(C(=O)N2CCC(C)CC2)CCn3cccc3CN -MOL_01_030224,FC(F)(F)c1ccccc1NC(=N)C2CC(=N)N(C2)c3ccccc3F -MOL_01_030225,Cc1ccc(cc1C)-n2nnnc2CCC(=O)N3CCNC3=O -MOL_01_030226,CCc1ncc(cn1)-c2ccc(cc2)CC(N)C3CCCCC3 -MOL_01_030227,C1CCCCN1C(N)c2cc(CC)c(cc2)CC3CCN(C(C)N)CC3 -MOL_01_030228,Clc1ccc(cc1)CC(C)(C)C(N)Nc2cccnc2 -MOL_01_030229,CNCCc1cc(Cl)c(c(Cl)c1)C(O)Nc2ccnc(c2)NC(O)C3CC3 -MOL_01_030230,c1cccnc1Nc2ccc(cc2)Cc3ncccc3N4CCCCC4 -MOL_01_030231,c1ccccc1NC(=N)CCC(=N)NC(c2ccccc2)C(=N)c3ccccc3 -MOL_01_030232,Cc1ccc(C)c(c12)C(N)C(=CC2N)N3CCCCC3 -MOL_01_030233,Cc1ccccc1-c2ccc(nc2)CN(c3ccc(CN)nc3)Cc4ccccc4 -MOL_01_030234,CC(N)n1ccc(c12)ccc(n2)C3CCCC3 -MOL_01_030235,c1ccccc1C(=N)c2ccccc2NC(C(=N)O)Cc3ccc(O)cc3 -MOL_01_030236,Cc1cccc(c1)NC(=N)Nc2ccc(cc2)-c3cccc(c34)CNC4=N -MOL_01_030237,CC(=N)c(n1)nc(C(C)C)c(c12)CCC2(C)C -MOL_01_030238,NCc(c1N)ccc(c12)C(=CCCC2)c3cc(CN)c(CN)c(c3)CN -MOL_01_030239,O=C(N=1)N=c(c12)ccc(c2)C3=NN=C(CC3)NCc4cccnc4 -MOL_01_030240,NCc1ccc(cc1)Cc2cc(N)nc(c23)ccc(c3)N -MOL_01_030241,NCc(c1)c(CN)cc(c12)C(=NN(C)C(C2)O)c3cccc(N)c3 -MOL_01_030242,Fc1ccc(cc1)C(N)C2CCC(CC2)C(N)c3cc(F)cc(F)c3 -MOL_01_030243,NOc1ccc(NF)cc1Cc2c(cccc3)c3nc(c24)cccc4 -MOL_01_030244,Cc1cc(OCN)c(CN)c(n1)NCCc2ccccc2 -MOL_01_030245,COc1ccc(cc1OC)C(C(O)OC)Cc(c2)ccc(c23)OCO3 -MOL_01_030246,CC1=NCN(CCCN)CN1c2ccccc2CCN -MOL_01_030247,NCc1cc(F)cc(c1)Oc2cc(ccc2F)OCc3ncc(o3)-c4ccc(F)cc4 -MOL_01_030248,NCc1cccc(CN)c1C(=C)NCCN(C2)CCc(c23)cccc3 -MOL_01_030249,Cc1ccc(cc1C)-c2cn(cn2)CN -MOL_01_030250,CCC(=O)c1c(C)cc(C)c(Cl)c1CCC(=O)Nc2ccccn2 -MOL_01_030251,C1CNCCC1CNC(=N)c2c(F)cccc2-c3cccc(Cl)c3 -MOL_01_030252,NC(N)CCn1ccc(c(c1=N)CN)N2CCN(CC2)c3ccccc3 -MOL_01_030253,C1CCCCC1NC(=N)CCc2ccc(nn2)-c3ccc(N)cc3 -MOL_01_030254,CC(=O)C(N)Cc1ccc(cc1)C(CCF)CCF -MOL_01_030255,CCC(CC)C(=O)Nc1cc(C(=O)C)c(C)cc1NC(=O)C -MOL_01_030256,NCc1c(Cl)cccc1CCCCNC(O)c2c(Cl)cccc2Cl -MOL_01_030257,c1cccc(c12)CC(=N)CC(N)C2C(=N)Cc3ccc(F)cc3F -MOL_01_030258,C1COCCN1C(N)c2cc(NC)c(C)c(c2)NC(N)C3CCCCC3 -MOL_01_030259,c1ccccc1CNC(=N)c2cccnc2Cc3ccc(cc3)Nc4ccccn4 -MOL_01_030260,CCCN(C1N)Cc(c12)cccc2C(N)Nc3cc(Cl)ccc3C -MOL_01_030261,CC(C)(C)C(C)(C(C)(C)C)C(O)N1CCN(CC1)c2ccc(nn2)C(O)NCCC3CC3 -MOL_01_030262,C1CC1C(=C)NC(C)c2ccc(cc2)CN(C3)CCc(c34)c(CN)c(cc4)CNC5CC5 -MOL_01_030263,CCCn1ccc(c12)cc(cc2)C(=N)c3cc(NC)c(NC)c(c3)NC -MOL_01_030264,OC1CCCCN(C1)C(O)c2cn(nn2)-c3ccccc3 -MOL_01_030265,Cc1c(C(C)C)c(O)cn1C(O)N2CCCCC2 -MOL_01_030266,c1ccccc1Cc2nnc(n2C)CCC(=O)Nc(c3)ccc(c34)CCC4 -MOL_01_030267,NCCCNc1ccc(F)c(c1F)-c(c2)ccc(c23)cc(N)nc3 -MOL_01_030268,c1cccc(c12)cccc2N(C(=N)CN)CCc3cccc(C(F)(F)F)c3 -MOL_01_030269,NCc(c1)ccc(c12)nc(Cl)c(n2)CCc3ccccc3 -MOL_01_030270,Cc1nc(C)n(n1)CC(=O)NCC(C2)Cc(c23)ccc(c3)-c4cccc(c4)CC(F)(F)F -MOL_01_030271,FC(F)(F)c1cc(ccc1)C(=N)Nc2ccc(C)c(c2)C(=N)Nc3cccnc3 -MOL_01_030272,NOc1cccc(c1)-n2ccnc2CCC(N)NC3CCCC3 -MOL_01_030273,O=c1ccc(cn1C)CC(=O)C2CCCC2c3ccccn3 -MOL_01_030274,n1cccc(c12)ccc(c2C)C(NC(N)CCN)c3cccc(F)c3 -MOL_01_030275,c1ccccc1Cc2nnc(n23)CCC(=N3)c4ccccc4 -MOL_01_030276,Cc1nc(Cl)c(c(C)c1Cl)C(O)NCc2ccccc2 -MOL_01_030277,C=C1C/C(C(=O)N1)=C/c2ccc(C(=O)O)cc2 -MOL_01_030278,c1cccnc1CNC(=N)c2ccc(cc2)Cn3cc(C(F)(F)F)ccc3=N -MOL_01_030279,Cc1cnc(cn1)CNC(=O)C23C(CCC2)CCN(C3)c4ncccn4 -MOL_01_030280,c1ccoc1-c2nnc(n2C)CCc3ccccc3 -MOL_01_030281,Cc1ncc(cn1)C2(CCCC2)CNC(N)c3cccc(Cl)c3Cl -MOL_01_030282,CC(=N)n1nc(nc1C)-c2ccc(C(C)(C)C)cc2 -MOL_01_030283,Nc1ccc(N)cc1CC(=N)NCC(C2)CNc(c23)cccc3 -MOL_01_030284,CC(C)CNC(N)c1nn(CC)cc1NC(N)c2ccccc2Cl -MOL_01_030285,CCc1cccc(c1)C(=N)C(C2)CCc(c23)c(cnc3)COCC4CC4 -MOL_01_030286,CC(=O)c1ccc(cc1)CC(=O)NC(C)c2cc(F)ccc2CN -MOL_01_030287,C1CCCCC1(C)c(n2)ccc(c23)cc(nc3)CC(=O)C4CC4 -MOL_01_030288,NCc1ccc(cc1)CN2CCC(CC2)NC(N)CCc3ccc(cc3)-c(c4)cc(N)c(c45)cccc5 -MOL_01_030289,N1NC1NCC(=N)N(C)c2ccc(Cl)cc2C(=N)c3ccccc3Cl -MOL_01_030290,CCc1ccc(cc1CC)NCc(c2)ccc(c23)NC(=O)CC(=O)N3 -MOL_01_030291,NCc1cccc(c1)Cn2nnc(c2N)C(O)NCCc3ccc(Cl)cc3 -MOL_01_030292,Nc1ccccc1CC(N)CC2CCCCC2 -MOL_01_030293,Clc1cccc(Cl)c1NC(N)c2cccc(c23)CN(C3N)C4CCCCC4 -MOL_01_030294,CCc1cc(ccc1C)-c(c2)ccc(c23)C(=N)C(C3)CC(=N)NCc4cnc(C)cn4 -MOL_01_030295,c1ccccc1NCC2(CCCC2)C(=N)NC(C(C)=N)Cc3ccc(cc3)-c4ccccc4CN -MOL_01_030296,CNC(=O)Cc1ccc(cc1)-c2ccc(cc2)CNC(C(=O)C)C(C)C -MOL_01_030297,CC(=O)NC1CCCC(C1)c2cccc(c2)NC(=O)Cc3ccccc3 -MOL_01_030298,Cc1cccc(c1C)CCC(N)Nc2ccccc2N3CCN(CC3)C(N)C(C)C -MOL_01_030299,C1CCCC1NC(O)C2CCN(CC2)C(O)c3cc(Cl)ccc3Cl -MOL_01_030300,Clc1ccccc1CCc2n(C)c(nn2)Cn3nnc(n3)-c4ccccc4 -MOL_01_030301,NCc1ccc(cc1CN)-c2ccc(cc2CCC)C(=N)NC(C)CCCc3cccnc3 -MOL_01_030302,c1ccccc1N2CCN(CC2)C(=N)c3cccc(c3)N4CCCC4=N -MOL_01_030303,CC(=O)c1ccc(cc1)NC(=O)C2=CC(=NCN2C)c3ccc(C)cc3 -MOL_01_030304,C1CCCN(N12)N=C(N=N2)C(=C)CC(C)C(=C)c3nnnnn3 -MOL_01_030305,CCOc1ccc(cc1)-c2ccc(nn2)CCC(=O)NC3CCCCC3 -MOL_01_030306,Cc(c1)ccc(c12)ncn(c2=N)CCCCCn3ccnc3 -MOL_01_030307,NCc1ccccc1N2CCN(CC2)C(N)Nc3cccc(Cl)c3 -MOL_01_030308,NCc(cc1)cc(C2)c1C(=O)CC23CCC(C(N)(N)N)CC3 -MOL_01_030309,CC1(C)CC(C1)NC(N)c(n2)ccc(c23)cc(cc3)Cc4ccc(C(F)(F)F)nc4 -MOL_01_030310,Clc1ccc(cc1)CC2(CC(=O)NC2=O)CCCc3ccc(F)cc3 -MOL_01_030311,C1CCCc(c12)cccc2CCC(N)NCC(O)CN(C3)CCc(c34)cccc4 -MOL_01_030312,CC(=O)CC(C)C(=O)c1ccc(F)c(c12)c(C(F)(F)F)c(cc2)ON -MOL_01_030313,CNC(=O)c1cncc(c1)NCc2cc(Cl)ccc2OC -MOL_01_030314,CCN(CC)CCNCCNC(=N)C1(CCCC1)c2ccc(NC)cc2 -MOL_01_030315,COc1ccccc1N2CCN(CC2)CCCCN(CC3)C(=N)C34CCCC4 -MOL_01_030316,c1cccc(c12)cccc2N(C(N)CC(C)N)CCc3cccc(C(F)(F)F)c3 -MOL_01_030317,Clc1cnc(cc1)C(=N)Nc2cccc(c2)CN3CCC(CC3)C(=N)NC4CCCCC4 -MOL_01_030318,c1cccc(c12)CCCCC(=N)C(N)CC(NC2=N)c3ccccc3 -MOL_01_030319,COc1cc(N)nc(n1)NC(=O)NCc2ccccc2C(=O)OCCCl -MOL_01_030320,CCN1CCN(CC1)C2CCN(CC2)C(N)CCc3ccc(cc3)-c4ccc(CN)cc4 -MOL_01_030321,CC(C)c1ncc(cc1Cl)Cc2ccc(cc2CN)CNc3ccc(F)cn3 -MOL_01_030322,Nc(c1)cc(n12)nc(N)cc2CC(CO)COCc3ccccc3 -MOL_01_030323,CC(C)c1ccccc1C(O)C(N)N2CCC(CC2)Oc3ccc(C(F)(F)F)cn3 -MOL_01_030324,NCc1ccccc1NC(=O)CNc2cc(CN3CCCCC3)ccc2NCC4CCCC4 -MOL_01_030325,NC(N)c1ccc(cc1)-n2cc(CN)c(c2)-c3ccc(cc3)CCC(N)N -MOL_01_030326,c1ccccc1C(=N)CCc2n(C)c(=N)c(cn2)C(=N)Cc3ccccc3 -MOL_01_030327,CCCc1ccc(cc1CN)CN(C)C(=O)CNC(=O)C2CCCCC2 -MOL_01_030328,CCCn(c1=O)ccc(c12)c(ccc2)C(Cl)Cc3cccc(c3)CN -MOL_01_030329,Fc1cc(ccc1)C(=O)CCC(=O)Nc2cccc(c2)CN3CCCCC3 -MOL_01_030330,c1cnccc1N2CCN(CC2)C(O)CCNCc3cccc(c3)-n4cnnn4 -MOL_01_030331,c1ccccc1C(NC)CC(=N)N2CCN(CC2)C(CN)c3cccnc3C -MOL_01_030332,COc1ccc(cc1OC)Cc2nc(nc(N)c2N)/C=C/COc3ccc(C)cc3 -MOL_01_030333,C1CC1CNc2ccc(cc2NC)C(CC(N)N)NC(N)c3ccccc3 -MOL_01_030334,c1ccccc1CN(CC(C)CN(CC)CC)Cc(c(n2)CN)cc(c23)cccc3 -MOL_01_030335,c1ccccc1C(CNCC)C(=O)CCC(=O)c(c2)ccc(c23)CCC3 -MOL_01_030336,c1ccccc1C(=N)Nc2cccc(c2)NNc(n3)ccc(n34)ncc4 -MOL_01_030337,N=C(O)CCc(c1C)c(=N)oc(c12)cc(cc2)CCc3cccc(F)c3 -MOL_01_030338,CC1(C)N(C)C(N)C(C1)c2ccc(nn2)CCc3ccccc3 -MOL_01_030339,c1nccc(c12)cn(c2)C(=O)NCc3ccc(cn3)CC4CCN(CC(F)(F)F)CC4 -MOL_01_030340,CCC(N)c1c(F)cccc1-c2ccc(c(F)c2)CCC(N)C3(C)CC3 -MOL_01_030341,c1ccccc1C(C)(C(=O)CC(CN23)C(CC2)CC3)c4ccc(N)cc4 -MOL_01_030342,Clc1c(Cl)ccc(c12)C(O)N(C2O)CCCCn3ccnc3 -MOL_01_030343,Fc1cnc(cc1)C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCCC4 -MOL_01_030344,c1ccccc1N2CCN(CC2)C(O)c3cccc(c3)N4CCCC4O -MOL_01_030345,O1CCOc(c12)ccc(c2)C3=NN(C(O3)=C)CNc4ccc(Cl)cc4 -MOL_01_030346,CN1CCN(CC1)CCOc2ccc(Cl)cc2C(O)Nc3ccc(NF)cc3Cl -MOL_01_030347,CCN1CCN(CC1)CCCNC(=N)CCc2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_030348,c1ccccc1CC(CC(C)CC)CC2=CN=C(C2=3)C(=O)N=CN3 -MOL_01_030349,Cc1ccccc1CNC(=N)Cn2ccc(c23)cc(cc3)CN4CCCCC4 -MOL_01_030350,CCc(c1)ccc(c12)Cc3c(C2O)ccc(c3)-c4nnn(n4)C -MOL_01_030351,NCCC(=O)C1CCCCN1Cc2ccc(cc2)-c3ccccc3 -MOL_01_030352,FC(F)(F)c1ccc(cc1)CCNC(=N)C2CC(=N)N(C2)c(c3)ccc(c34)NCCN4 -MOL_01_030353,C1CCCCN1CCCNC(N)c(c2)ccc(c23)Cc4c(C(N3)N)cccc4 -MOL_01_030354,CNc1cccc(c12)C(O)N=C2Nc3ccccc3 -MOL_01_030355,CC(C)C(N)N1CCN(CC1)c2ccccc2NC(N)c(c3)ccc(c34)CCCC4 -MOL_01_030356,n1cccnc1N(CC2)CCC23CCc4c(CNC3)cccc4 -MOL_01_030357,c1cccc(c12)ccc(n2)C(=N)N(C)CC(=N)Nc3c(Cl)cccc3Cl -MOL_01_030358,Nc1cc(N)n(n1)-c2ccc(cc2)C(N)Nc(c3)ccc(c34)CCC4 -MOL_01_030359,CCC1CCCN1C(=N)c2ccc(cc2)CC3CCN(CC3)Cc4ccccn4 -MOL_01_030360,CC(O)c(c1)c(C)cc(c12)c(C3CC3)c(O)c(C)c2O -MOL_01_030361,NC1(N)C(C)C(=N)C(CC1)c2ccc(cn2)NNc3cccc(F)c3 -MOL_01_030362,NCC(=O)c1ccc(cc1)NC(=O)CCc2ccccc2C(=O)Nc3ccccc3 -MOL_01_030363,Cc1cncc(c1)C(N)Nc2cccc(c2)CN(CC3)CCC3(C)C(N)NC4CCCCC4 -MOL_01_030364,CC(=O)c1ccc(cc1)C2CCC(CC2)C(=O)c(c3)ccc(c34)CC(=O)C4 -MOL_01_030365,Cc1ccccc1CC(N)Nc2cnc(c(N)c2)N3CCCCC3 -MOL_01_030366,Cn1nc(N)c(c1N)NCc2ccc(Cl)cc2 -MOL_01_030367,Nc1ncc(cn1)-c2ccc(cc2F)-c3ccccc3Cc4ccnc(n4)N -MOL_01_030368,NCC1CCCN1C(O)Cn2cc(nn2)-c3cccc(c34)cccc4 -MOL_01_030369,NOc(c1)c(ON)cc(c12)ncc(n2)CC3CCCC3 -MOL_01_030370,Cc1cc(CN)cc(c1C)CC(=O)C2=CCC(=O)CC2c3ccc(F)cc3 -MOL_01_030371,COc1ccc(cc1F)CNCCc(n2)cn(c23)nc(C)c(n3)C -MOL_01_030372,CCc1ccc(cc1)NC(=O)C2=CC(=NCN2C)c3ccc(CN)cc3 -MOL_01_030373,CCC1CCCCN1CC(N)Nc2cc(CN)c(CN)cc2CN -MOL_01_030374,CC(C)N(C(C)C)CCC(C(=N)N)(CCN(C(C)C)C(C)C)c1ccccc1F -MOL_01_030375,CCCCCCN(C1N)C(N)c2cccc(c2c13)c(cc3)NCCNCCN(C)C -MOL_01_030376,CNc1cc(C(=O)N)ccc1CCC(=O)Nc2ccc(F)cc2 -MOL_01_030377,C1OCON1C(O)C2CCCN2N(O)CNc3ccccc3 -MOL_01_030378,CC(N)Nc1ccc(cc1)C(C2)CC(=Nc(c23)cccc3)c4ccc(NF)cc4 -MOL_01_030379,c1cccc(c12)cccc2C(C(CN)C(=N)CNC)c3ccccc3C(F)(F)F -MOL_01_030380,c1cccc(c12)cc(O)c(c2C)C(O)CCC(C)O -MOL_01_030381,C1CCCN1CCCNC(=N)C(N(C2=N)Cc(c23)cccc3)CCCc4ccccc4 -MOL_01_030382,Cc1cc(C)nc(n1)CCC(=O)Nc2cccc(c2)CCc3ccc(cc3)NC(=O)CC(C)(C)C -MOL_01_030383,c1cccc(c12)c3c(nc2N)n4c(n3)c5c(cc4)cccc5 -MOL_01_030384,Cc1cc(C)c(c(C)c1)C(C2O)C(O)C(=C23)CC(C3)(C)C -MOL_01_030385,Cc1ccc(cc1)Cn2cc(cn2)NC(=N)c3cnccn3 -MOL_01_030386,C1CCc(c12)ccc(c2)CC(N)NC3CCN(C3)Cc4ccc(Cl)c(Cl)c4 -MOL_01_030387,COc1ccccc1CCCC(=O)NC(C)C(=O)Nc2ccc(cc2)NC(=O)C -MOL_01_030388,c1ccccc1C(=N2)CC(N)N(C)c(c23)cc(cc3)CN -MOL_01_030389,Clc1ccccc1N(CC)C(C)C(=O)Nc2ccc(Cl)cn2 -MOL_01_030390,CC(=N)c1ccc(cc1)N2CCN(CC2)C(=N)c3cc(Cl)cc(c3)NN -MOL_01_030391,CCc1cc(F)cc(c1)Cc(c2)ccc(c23)C(C)C(=N)CC3(CN)CN -MOL_01_030392,NCc1ccc(cc1)-c(cc(c23)CNC3)c(c2)N(N)c4ccccc4 -MOL_01_030393,c1cncn1-c2nn(CN)c(=N)c(c23)cccc3 -MOL_01_030394,C=C(O1)C=Cc(c12)c(c3c(c2)occ3)OCCCCOc4ccccc4 -MOL_01_030395,Cc1cc(CN)cc(C)c1Oc2ccnc(n2)CCC(=O)Nc3ccc(CN)cc3 -MOL_01_030396,COc1ccc(cc1OC)C(O)CCCCC(O)c2cnccn2 -MOL_01_030397,CCc1ccc(cc1)-c2nc(c(o2)C)CC(O)CC(=O)NC3CC3 -MOL_01_030398,NCc1cccc(c1)NCN(C23)C(N(CC2)CC3)C(c4ccccc4)c5ccccc5 -MOL_01_030399,CCc1ccc(cc1)C2C(CN)=C(N)Cc(c23)c4c(cc3)cccc4 -MOL_01_030400,O=C(O)C(N)CCCCc1cccc(c1)OC(F)(F)F -MOL_01_030401,CN1CCC(CC1)N2CCC(CC2)Cc3cccc(c3)C(N)NCCCC4CCCC4 -MOL_01_030402,c1ccncc1C(N)CNCCc2ccc(cc2)NC(N)c3ccccc3COc4ccccc4 -MOL_01_030403,CC(=O)c1ccc(cc1)C2CCC(CC2)C(=O)c(c3)ccc(c34)CC(=O)CC4 -MOL_01_030404,NC1CC(=O)N(C1=O)Cc(c2)ccc(c23)CCC3 -MOL_01_030405,CCCCCC(N)c1c(N)c(Cl)c(N)c(Cl)c1N -MOL_01_030406,c1ccccc1C(=N)Cn2cccc2C(=N)Nc3ccc(cc3)C4CC4N -MOL_01_030407,O=C1CCC(=O)N1CCNC(=O)CCC(=O)c2cccc(Cl)c2Cl -MOL_01_030408,CCC(O)c1nnn(c1N)CC(O)Nc2c(C)cccc2C -MOL_01_030409,CCC1C(=O)CC(N)=C(C(=O)C)C1c2ccncc2 -MOL_01_030410,NCc1ccc(cc1)Cc2cc(c(Cl)cn2)Nc3ccccc3C(=O)N -MOL_01_030411,CN(C)Cc1cc(ccc1Cl)NC(=O)CCC(=O)Cc2cccc(c23)cccc3 -MOL_01_030412,N=C(N)C1CCC(N1)c(c2)ccc(c23)CNC3 -MOL_01_030413,CCn1c(C)nnc1CCC(=O)Nc2ccccc2OC -MOL_01_030414,CC(=N)N1CCN(CC1)c2ccccc2NC(=N)c3cc(Cl)cc(Cl)c3CN -MOL_01_030415,NCCNC(=N)C1(CCCCC1)NC(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_030416,Clc1cc(Cl)ccc1C(N)Nc2c(Cl)cc(Cl)cc2C(N)NCc3cccnc3 -MOL_01_030417,CNc1cnc(C)n1CCOc2ccc(Cl)cc2C(O)OCCn3c(NC)cnc3C -MOL_01_030418,C1CCCC12C(=O)C(CC3CC3)C(C2)c4cn(C)c(=O)n(c4=O)C -MOL_01_030419,Nc(c1)ccn(c12)c(c(n2)N)CC3CCCCC3 -MOL_01_030420,NCc1ccc(cc1)CNC(=N)c2ccc(Cl)c(c2)NC(C3)=NC(C34)CC=C4 -MOL_01_030421,NCc1cccc(c1)C(O)Nc2cccc(n2)Cc3ccc(C(F)(F)F)nc3 -MOL_01_030422,CC(=N)C1CN(C1)Cc2cc(ccc2N)NC(CN)c3ccc(Cl)c(N)c3 -MOL_01_030423,Cc1nc(C)cc(n12)nc(n2)CNc3ccccc3F -MOL_01_030424,c1cccc(c12)CC(CC2)CNCCCNc3cnccn3 -MOL_01_030425,c1ccccc1C(N)CNCCc2cccc(c23)cccn3 -MOL_01_030426,Clc1ccccc1NC(=O)c2cccnc2CCc3ccncc3 -MOL_01_030427,NNc1c(C)c(C)c(cc1)CN2CCN(CC2CCN)Cc3ccc(NN)cc3N -MOL_01_030428,Cn1ncc(Cl)c1C(O)N2CCN(CC2)c3ncccn3 -MOL_01_030429,Cn1ccnc1N2CCN(CC2)CC(O)Nc3ccccc3C(C)(C)C -MOL_01_030430,Fc1ccc(cc1)Cc2nc(O)c(C)c(n2)C(O)NCc3ccc(F)cc3 -MOL_01_030431,CC(C)NOc1cc(ccc1)C(=O)NC(=C)Nc2cccc(c2)NC(=O)c3ccccc3Cl -MOL_01_030432,Clc1ccccc1NC(=O)CCc2ccccc2C(=O)Nc3ccccc3 -MOL_01_030433,C1CCC1Cc2nc(N)c(C)c(n2)CC3CCC3 -MOL_01_030434,Cc1cccc(c1)CCCC(N)N(C)CC(N)Nc2cccc(c23)cccc3 -MOL_01_030435,c1ccccc1C(=O)c(c2C)ccc(c23)CC(C(C3)(N)N)C4CCCCC4 -MOL_01_030436,C1CCCCN1Cc2ccc(cc2)C(=O)N3CCN=C3CCc4cccnc4 -MOL_01_030437,CCc1ccccc1C2(C)CCN(CC2)CC(N)Nc3c(C)nn(C)c3C -MOL_01_030438,Fc1cc(F)c(F)cc1CC(N)CC(=N)N2CCN(CC2)C(=N)c3ccccc3 -MOL_01_030439,Cc1ccccc1N2CCN(CC2)C3CCCN(C3)C(=N)CCN4CCCCC4=N -MOL_01_030440,CCC1CCCCN1C(O)Cn2nc(NC)c(Cl)c2C -MOL_01_030441,C1COCCN1C(=O)CCc2n(C)c(nn2)CNC(=O)c3ccc(Cl)cc3 -MOL_01_030442,c1ccccc1CCC(N)NCC(c2ccc(Cl)cc2)N3CCCCC3 -MOL_01_030443,CC(N)c1ccc(cc1)NC(N)CCC(=Nc(c23)cccc3)CC(=N2)c4ccc(F)cc4 -MOL_01_030444,Nc1ccn(c12)c3c(cc2)ccc(c3)OCC4CC4 -MOL_01_030445,CC1CCC(CC1)C(=N)NC(C(C)C)C(=N)NCCc2ccc(CN)cc2 -MOL_01_030446,FC(F)(F)c1cc(ccc1)-c2cc(C)nnc2CCc3cccc(c3)CN -MOL_01_030447,CCc1cccc(c1)NC(O)CCC(O)c2nc(Cl)ccc2Cl -MOL_01_030448,NOc1ccc(cc1ON)C(C(C)C)(CN)CCCNCc2c(cccc3)c3cc(c24)cccc4 -MOL_01_030449,CCc1cccc(c1)CNC(N)Cn2c(N)cc(c23)cc(C)cc3 -MOL_01_030450,C1NC(O)Cc(c12)ccc(c2)NC(O)c3cccc(Cl)c3 -MOL_01_030451,Cc1ccc(cc1)C2CCCN2C(O)NCCNc3ncccn3 -MOL_01_030452,c1cccc(c12)N(CC)c3c(C2)ccc(c3)NC(=O)CC(N)C(=O)C -MOL_01_030453,CCc1ccc(cc1)C(N2CCCC2)CNC(=N)c3ccc(cc3)N4CCCC4=N -MOL_01_030454,CC1(C)N=C(C)N(C(C1)C)CCC(=O)Nc(c2)ccc(c23)CCCC3 -MOL_01_030455,C1CNCCC1N(c(cc2Cl)ccc2Cl)C(=N)CCc3cc(N)cc(N)c3 -MOL_01_030456,FC(F)(F)c1ccc(cc1)CC(=N)C2CC(=N)C(C2)c3c(N)cccc3CN -MOL_01_030457,CC(C)(C)CCCNC(=N)C(CCC(C)=N)NC(=N)c(c1)cnc(c12)cccc2 -MOL_01_030458,Cc1cccc(c1)NC(C2O)=C(N)C(O)c(c23)cccc3 -MOL_01_030459,Nc1ccccc1CCc2nccn2-c3ccccn3 -MOL_01_030460,CCN(CC)C1=NCC(c2ccccc2)=C1c3ccc(CN)cc3 -MOL_01_030461,Cc1ccc(cc1)NCCN(C(N)N2)C(N)C2(c3ccccc3)c4ccccc4 -MOL_01_030462,NCCc1ccc(cc1)C2CNCC=C2CC(N)c3ccccc3N -MOL_01_030463,Nc1nc(ncc1)N2C(CCC2=N)C34CC5CC(C3)CC(C5)C4 -MOL_01_030464,CC(N)COc1cccc(c1)CC(C2)CCc(c23)cncn3 -MOL_01_030465,c1ccnn1-c2cc(ccc2)C(N)N3CCCCC(C3)Cn4cccn4 -MOL_01_030466,NCCc1ccc(cc1)C(N)Nc2ncccc2CN -MOL_01_030467,NC1C(N)Nc(c12)ccc(c2)Cc3ccccc3 -MOL_01_030468,C1CCCNC1C(C(=N)ON)c2ccc(Cl)cc2 -MOL_01_030469,C1CCN=C1NC(O)CCc2n(CC)c(nn2)CC(O)Nc3ccc(F)cc3 -MOL_01_030470,c1cccnc1CN(C(C)C)C(N)CCC(N)c2ccccc2 -MOL_01_030471,CCCCC(N)C1CCC(CC1)C(N)c2ccc(Cl)cc2 -MOL_01_030472,Cc1ccnc(c1)C(=N)Nc2cccc(c2)CN3CCC(CC3)C(=N)NC4CCCCC4 -MOL_01_030473,CCc(c1)c(CC)cc(c12)c(cc(c2O)CC)C(O)CCC3CCNN3 -MOL_01_030474,Cc1ccc(nn1)N2CCCN(CC2)C(O)C3(CN)CCCCC3 -MOL_01_030475,NC1CC1C(=O)N(C)CC(=O)Nc2ccc(Cl)c(c2)C(C)(C)C -MOL_01_030476,NOc1ccccc1N2CC(C)N(CC2)C(O)CCc3nncn3C -MOL_01_030477,Cc1cccc(C)c1NC(=N)CNC(=N)C2CCCN(C2)C(=N)c3ccc(Cl)cc3 -MOL_01_030478,CCc1ccc(cc1)C2=C(C(N)NC2N)Nc3cccc(C)c3 -MOL_01_030479,COc1ccc(cc1OC)C(N)CCC(C=2)=CC(C23)=C(C)C=C3 -MOL_01_030480,CCNc1nc(nc(n1)NC(C)(C)C)Cc2ccc(=O)n(n2)-c3ccccc3 -MOL_01_030481,Fc1ccc(cc1)C(=N)c2n(C)c(nc2)OCC3CCC(C(N)N)CC3 -MOL_01_030482,C1CCC(C1=2)=CC(C)CC2CCn3nccc3C(N)Nc4ccc(Cl)cc4 -MOL_01_030483,Cc1cc(CN)c(c(c1)CN)C(C2O)C(O)N(N23)CCCCC3 -MOL_01_030484,NCC(=O)CCN(C)CCCCc1ccc(cc1)Cc2cccnc2 -MOL_01_030485,c1cccc(c12)cc(O)n2CC(O)CC(O)CCc3ccccc3 -MOL_01_030486,NOCCNC(=N)C1CCCN(CC1)C(=N)c(n2)ccc(c23)cccc3 -MOL_01_030487,Nc1cc(cc(c1)N)NC(=N)C2CCCN2Cc3ccc(C(F)(F)F)cc3Cl -MOL_01_030488,n1nnnnc1C2=C(C(=N)CC2)c3nnnc(n3)C(F)(F)F -MOL_01_030489,c1ccccc1CN2CCC(CC2)NC(=N)Cn3cccc(c3=N)NCc4ccccc4 -MOL_01_030490,c1ccccc1COc2cc(OC)c(OC)cc2C(N)Cc3ccccc3 -MOL_01_030491,CC(C)(C)c1cccc(c1)CNC(C(N)O)c2cccc(c23)cccc3 -MOL_01_030492,Nc1nc(N)ncc1C(=N)N2CCCC(C2)CCc3ccccc3F -MOL_01_030493,C1CCCC1CCc2ccc(C)cc2NC(=O)c3ccn(C)c(=O)c3 -MOL_01_030494,Cc1ccc(O)c(c1)C2=CCC(C2)C(=O)O -MOL_01_030495,CCc1ccc(cc1)CNC(CC2)CCC23NC(N)N(C3N)CCCc4ccc(F)cc4 -MOL_01_030496,NCCC(=C)C1CCN(CC1)C(=C)c2cccc(c2)Cc3nnc(C)c(c34)cccc4 -MOL_01_030497,CC(=O)C1=C(C)C(CCCN)C(=O)CC1c2ccccc2 -MOL_01_030498,CC(=N)C(C(N=1)=N)=C(N)C(C12)=C3C(=C2)CCCCC3 -MOL_01_030499,CCOCCCCC(=O)c1ncn(c1ON)Cc2ccccc2 -MOL_01_030500,CC(C)c1ccc(cc1)CN(CC2)C2(C)C(N)Nc3ccc(CN)c(c3)CN -MOL_01_030501,c1ccccc1C(=N)c2c(C)n(nc2)-c3ccccc3N -MOL_01_030502,CCCC(=O)c1cc(ccc1Cl)C(C2=O)C(=O)C(=C23)CCCC3 -MOL_01_030503,CC(C)c(nc1)cc(c12)c(ncn2)CC(N)CCN -MOL_01_030504,NCCc1cc(c(F)cn1)N2CC(C2)Cc3ccc(cc3)C(N)NC(N)N -MOL_01_030505,CCCCCC(=O)C1=CC(=O)C(=C1C)Cc2ccccc2CN -MOL_01_030506,CCCCNC(O)c1ccc(cc1)NC(O)N(C2)Cc(c23)cccn3 -MOL_01_030507,CCCc1ccc(cc1CC)CNC(O)CC(C)n2nc(C)cc2C -MOL_01_030508,Cc1cc(=N)oc(c12)c(c(N)cc2)CN3CCCCC3 -MOL_01_030509,c1ccccc1C(N)NC(=O)C2(CC2)Cc3ccc(Cl)cc3 -MOL_01_030510,c1cccc(c12)CCC(C2)C(O)Nc3ncccc3Cl -MOL_01_030511,C1CCC(N)=NC1(C)c2cccc(c2)Nc3ccccc3CC(F)F -MOL_01_030512,c1ccccc1N2CC(CC2N)NCc(c3)ccc(c34)cccc4 -MOL_01_030513,Cc1cnc(O)nc1CCC(O)Nc2cc(C(F)(F)F)ccc2Cl -MOL_01_030514,Cc1ccc(cc1)CN(C)c2cc(ncn2)C(O)Nc3ccc(CN)cc3 -MOL_01_030515,CCc1ccc(cc1)Cc2nc(C(=O)CCN)nc(c23)cccc3 -MOL_01_030516,CCOc1ccccc1CN2CCNC(=N)C2CC(=N)NCCC3=CCCCC3 -MOL_01_030517,NC(N=1)=Cc(c12)cc=3c(c2)C=C(N3)C(N)N4CCC(CC4)Cc5ccccc5 -MOL_01_030518,Fc1ccc(cc1)C(C)NC(=NC2=O)CC2(C)C3(C)CCCC3 -MOL_01_030519,NCc1ccc(cc1)CCN(C2)CCc(c23)cc(N)c(c3)CN -MOL_01_030520,CCCCNC(=O)CC(O)Cc1nc(oc1C)-c2cccc(Cl)c2 -MOL_01_030521,Cc1nc(N)c(CN)cc1NCc(n2)ccc(c23)cccc3 -MOL_01_030522,c1ccccc1CN(C2CCNCC2)C(=N)Nc3cccc(C(F)(F)F)c3 -MOL_01_030523,CCCC(=O)C1CNNN(C1)C(=O)c2ccc(CC)c(c2)CC -MOL_01_030524,c1cccc(c12)ccc(c2)CNC(=N)Cc3cccc(c3)-c4cccc(c4)C(=N)N -MOL_01_030525,CC(O)CNC(O)c(nc1C)c(C)c(c12)cc(cc2)Cc3ccccc3 -MOL_01_030526,C1COCCC1CNC(N)c2ncccc2NC(N)c3cccc(c34)cccc4 -MOL_01_030527,C1CCCCN1c2cc(NC)c(cc2)C(=O)NCC(=O)O -MOL_01_030528,CC1CCN(CC1)Cc2nnnc(n2)-c3nnnnc3CN -MOL_01_030529,CCc1ncccc1CNC(O)NC2CCCc(c23)cccc3 -MOL_01_030530,CCc1nnc(nc1CC)CCC(O)Nc2cc(CN)ccc2CN -MOL_01_030531,CCC(O)c1cc(O)nc(c12)nc(O)nc2O -MOL_01_030532,c1cccc(c12)nnn2CC(=N)C(CN)Cc3ccc(cc3)-c4ccccc4 -MOL_01_030533,C1COCCN1c2cc(O)n(n2)-c3cccc(Cl)c3 -MOL_01_030534,C=C1CC(C(=C)N1)N(CC)C(=C)c2ccccc2N -MOL_01_030535,C1CCCC1NC(O)CCc2n(C)c(nn2)CNC(O)c3ccc(Cl)cc3 -MOL_01_030536,Cn1ccnc1CCCNc2ccnc(n2)C(C)(C)C -MOL_01_030537,COc(c1)ccc(c12)cccc2CCNC(=N)C3CN(C3)C(=N)c4ccncc4Cl -MOL_01_030538,NCc1ccc(NCC2CC2)c(c1)C(N)NC3CCN(CC3)Cc(c4)ccc(c45)CNC5 -MOL_01_030539,NCCCC(N)C(CC(C)C)c1cccc(c1)-c2ccncc2 -MOL_01_030540,NC1CC(N)CC(C1)CCCCC(=O)c(c2)ccc(c23)CCC(=O)C3 -MOL_01_030541,NCc1ccc(cc1)Cn2c(ncc2NC)CNc3ccccc3C -MOL_01_030542,CCCN(C1=N)C(=N)c(c12)ccc(c2)C(=N)Nc3ccccc3C(=N)N -MOL_01_030543,NCCCCNC(O)CN(c1ccc(F)cc1)Cc(c2)ccc(c23)CCCC3 -MOL_01_030544,c1ccccc1-c2nc(C)nc(c2CC(N)N)-c3ccc(Cl)cc3 -MOL_01_030545,c1cnccc1CN(C(=N)CC2)C23CCCN(C3CN)CC4CCC4 -MOL_01_030546,Cc1ccc(C)c(c1)CN2CCCCC2CNC(=O)C(=O)NCCC3=CCCCC3 -MOL_01_030547,Fc1ccc(cc1)N(C)Cc2ccc(Cl)c(c2)C(=O)Nc3ccncc3 -MOL_01_030548,c1ccccc1C(=O)Cn([n+]([O-])c2)c(c23)ccc(Cl)c3 -MOL_01_030549,c1ccc(F)c(n12)nc3c(c2=N)cccc3F -MOL_01_030550,c1ccccc1NC(C=C)CC(=C)C(C(N)N)CCc2ccc(Cl)cc2 -MOL_01_030551,c1ccccc1-n2c(nnc2C)CCC(=O)Nc3ccc(C(=O)N)cc3 -MOL_01_030552,Cc(c1)ccc(c12)cnc(c2O)C(O)Nc3cccc(Cl)c3 -MOL_01_030553,Clc1ccc(cc1)CCc2nc(C)c(c(n2)N)Cc3ccccc3 -MOL_01_030554,c1ccccc1-n2nc(C)c(CN)c2Cc3ccccc3 -MOL_01_030555,Fc1ccc(cc1)C(=N)C2CCN(CC2)C(=N)c3cccc(C(F)(F)F)c3 -MOL_01_030556,CCc1cc(CN)c(Cl)cc1NCc2ccccc2CN -MOL_01_030557,OC1CC(C)(C)Cc(c12)nc(nc2)CCC3CCCC3 -MOL_01_030558,c1cccc(c12)CC(C2)(C(C)N)NC(N)c3cccc(c34)CCCC4 -MOL_01_030559,c1cnccc1CC(N)CCC(N)c2ccccc2Cl -MOL_01_030560,COCC1CCCN(C1)C(=N)c2ccccc2NCc3cccnc3 -MOL_01_030561,Nc(c1)ccc(c12)c(cc(c2)N)CCC(C3N)=CC(N)c(c34)cccc4 -MOL_01_030562,CC(C)N1CCN(CC1)C(O)CC2CCN(CC2)c3cc(CN)ccn3 -MOL_01_030563,CCc1ccc(cc1Cl)NCC(=O)Nc2cccc(c2)CN3CCCC3 -MOL_01_030564,Nc1c(C(N)N)cccc1C(N)CCc2cccc(c2)CCc(n3)ccc(c34)cccc4 -MOL_01_030565,Cc1cccc(c1)-c2ccc(cc2)NC(=N)C3CCN(CC3)Cc4cccc(N)c4 -MOL_01_030566,NC(=O)c1cc(C(CCCl)CCCl)c(NF)cc1NF -MOL_01_030567,Cc1cccc(c1)N2CCN(CC2C)C(O)Cc3cccc(c3)CN -MOL_01_030568,Cc1cc(C)cc(c1)NC(=O)NCCn2nnc(c23)cc(cc3)CN(C)C -MOL_01_030569,c1cccc(c12)cc(CC)c(c2N)-c3ccc(CO)cc3C -MOL_01_030570,CC1(C)CCCN1C(O)C(N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_030571,CCc1ccc(C)c(c1)C(=O)CC(C(=O)C)CC(=O)C -MOL_01_030572,CCCC(=O)N1CCN(CC1)C(=O)CCc2ccccc2CN -MOL_01_030573,NCc1ccccc1NC(=N)Nc2cccn(c2=N)Cc3ccc(F)cc3 -MOL_01_030574,CCC(N)C(=N)Cc1cc(-c2ccccc2)cc(n1)NNc3ccccc3 -MOL_01_030575,c1cccc(C(N)C2)c1CC23NCC(CN3)CNc4ccccc4 -MOL_01_030576,CCNC(N)CCc1ccc(Cl)cc1CC(N)c(c(N)c2)cc(c23)cc(CCl)cc3 -MOL_01_030577,Cc1ccccc1NC2=NCC(C2)c3ccc(N(C)O)cc3 -MOL_01_030578,C12CCC(CC1)CC2CC(=N)c3cnn(c34)cccc4 -MOL_01_030579,CCc1cccc(c1)C(C)NC(=N)c2ccc(c(F)c2)-c3ccncc3 -MOL_01_030580,Cc1cc(C)c(CN)c(n1)CCC(=O)N2CCN(CC2)Cc3ccccc3 -MOL_01_030581,FC(F)(F)c(c1)ccc(c12)C(CC(=O)C)N(C2)Cc3ccc(CN)cc3 -MOL_01_030582,O=C(N=1)C(=O)C(CC)=c(c12)cc(Cl)c(Cl)c2 -MOL_01_030583,COc1ccc(cc1)CC(=O)Cc2c(O)cc(C)c(c23)cc(OC)c(c3)OC -MOL_01_030584,COc1cc(cc(c1)OC)CC(O)CCC(O)OCCN -MOL_01_030585,NCCNC(=N)C(CC(C)C)c1cccc(c1)-c2ccc(cc2)-c3ccncc3 -MOL_01_030586,c1cnccc1C(=N)C(CC2)CCc(c23)ncnc3C4CC4 -MOL_01_030587,N=C(N)c1cc(Cl)c(Cl)cc1C(=N)Nc2cccc(c23)cccn3 -MOL_01_030588,CNC(C1)CC=C(C123)CCN2CCC4=C3CC(=N)NC4 -MOL_01_030589,Cc1ccc(cc1)OCc2nnc(o2)CCC(=O)Nc3ccccc3C(C)C -MOL_01_030590,COc1cccc(c1)CCc(c(Cl)n2)nc(c23)nccc3 -MOL_01_030591,CC(=O)N1CCN(CC1)C(C(=O)N)CNc2ccc(cc2)Oc3ccc(C(C)(C)C)cc3 -MOL_01_030592,CN1CCC(CC1)C(=N)c2cc(ccc2F)NC(=N)c3ccc(F)cc3 -MOL_01_030593,Cc1cccc(c1)CCc2ccc(nn2)-c3ccccc3CN -MOL_01_030594,Fc1ccc(cc1)C(N)C2CCC(CC2)C(N)c3cccc(F)c3F -MOL_01_030595,CCC(=O)c1ccc(cc1)CCC(=O)Nc2ccccc2N3CCCCC3 -MOL_01_030596,NCc1ncc(cc1)NC(=C)CCc2ccc(CN)c(c2)CN -MOL_01_030597,CCCCc1nnc(CC(C)(C)C)n1Cc2ccc(cc2)NC(N)c3ccccc3C(C)N -MOL_01_030598,CCC(N)C(=N)Nc1ccc(c(c1)C(=N)c2ccccc2)NC(=N)Cc3ccccc3 -MOL_01_030599,CCCc1ccc(cc1)CN(c2ccccc2)CC(=O)Nc3cccnc3 -MOL_01_030600,COc1ccccc1CCC(=O)Nc2ccc(cc2)CCc3ncccn3 -MOL_01_030601,N=C(N)C1CCCN(C1)CCCNC(c2ccccc2)(c3ccccc3)c4ccccc4 -MOL_01_030602,CC(C)Cc1c(Cl)ccc(c1C)NC(=O)NC2CCCC2CN -MOL_01_030603,CNC(=N)C1(C)CCCN(C1)c2cnccn2 -MOL_01_030604,CC(C)Cc1ccc(cc1)NCCC(=O)NC2C(=O)CCCC2C -MOL_01_030605,CC(O)c1ccc(nc1)NC(O)c2ccccc2CCc3ccccc3 -MOL_01_030606,NCc(cc1)cc(c12)C(=CC(C2)(C)C)C3CCCC3N -MOL_01_030607,CC1CCCN(C1)C(=O)CC(c(c2)ccc(c23)CNC3)c4c(CN)cc(CN)cc4CN -MOL_01_030608,Clc1cccc(Cl)c1C(CN)C(=O)CCCC(=O)Cc2ccccc2NF -MOL_01_030609,NNc1ccc(cc1CC(N)N)-c2ccc(Cl)cc2 -MOL_01_030610,c1ccccc1C(O)(c2ccccc2)CC(O)(O)CC(O)(c3ccccc3)c4ccccc4 -MOL_01_030611,NCC(O)C1=C(C)N(C(C1)O)c2cccc(Cl)c2 -MOL_01_030612,CCC(N)Cc(c1)cc(N)c(c12)c(N)cc(c2)-c3ccc(N)c(N)c3 -MOL_01_030613,CCCC(N)CCc1ccc(cc1N)CN2CCN(CC2)c3ccc(F)cc3 -MOL_01_030614,CCCC(=O)C(NC(=O)CC)(C(=O)CCC)CC(=O)c1cccc(c1)CN -MOL_01_030615,NCC(=N)Cn(c1)ccc(c12)c(N)c3c(c2N)c4c(n3)cccc4 -MOL_01_030616,CC(C)(C)CCCc1ccc(cc1)C(O)Nc2ncccc2CN -MOL_01_030617,CCc1ccc(nc1)C(O)COc2ccc(cc2)CC3CC(=O)NC3=O -MOL_01_030618,CCCCCCCC1=C(CN)C(NC(N)N1)c2ccc(F)cc2 -MOL_01_030619,c1ccccc1CC(Cc2ccccc2)C(=N)N3CCN(CC3)C(CN)c4cccnc4 -MOL_01_030620,C12CCC(C1)CC2C(C)n3c(CCC(=O)N)nnc3CCc4ccccc4F -MOL_01_030621,FC(F)(F)c1ccc(cc1)CC(C(=N)CC2)CC23c4c(CC(C3)(N)N)cccc4 -MOL_01_030622,CNc1cc(CN)c(cc1Cl)C(=N)NC2CCN(CC2)Cc3ccccc3 -MOL_01_030623,CC(=N)c1ccccc1CC(CN)NC(=N)C(Cc2ccccc2)NC(=N)c3ccccc3 -MOL_01_030624,Cc1ccc(ON)cc1Nc2nccnc2NCc3cccc(N)c3 -MOL_01_030625,FC(F)(F)Cc1ccc(cc1)C(=O)NCC2NCNc(c23)cccc3 -MOL_01_030626,c1ccccc1-n2nnnc2CCc(n3)cn(c34)cccc4 -MOL_01_030627,CNC1(NC)NC(CC1=O)CC2CCC(CC2)c3ccc(C)cc3 -MOL_01_030628,c1cccc(c12)c(nnc2N)Cc3cccc(c3)C(N)N4CCNCC4 -MOL_01_030629,Cc1ccc(N(C)C)c(C)c1N(C2N)C(N)c(c23)cccc3 -MOL_01_030630,NC(=O)c1cncc(c1)CCc2cccc(c2)NC(=O)c3cccc(F)c3 -MOL_01_030631,Cc1cncc(c1)C(=N)Nc2cccc(c2)CN3CCC(CC3)C(=N)NC4CCCC4 -MOL_01_030632,NCCC(=N)NC(C)c1ccc(cc1)CN(C2)CC(=N)c(c23)cc(cc3)CCC(C4)C4(F)F -MOL_01_030633,NCc1cnccc1N2CC(C)N(CC2)C(O)C34CC5CC(C3)CC(C5)C4 -MOL_01_030634,NCc1cc(ccc1)NC(N)CN(C)C(N)c2ccccc2CCc3ccccc3 -MOL_01_030635,n1cccc(c12)c(=N)n(cn2)CCCC(CCCN)CCCN -MOL_01_030636,FC(F)(F)c1cc(CN)ncc1C(=O)N(C)Cc2ccc(CN)cc2CN -MOL_01_030637,n1nnnc(c12)C(CC2CN(C)C)c3nnnnn3 -MOL_01_030638,Cc1cncc(c1)C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCC4 -MOL_01_030639,CCc1cccc(c1)NC(=O)Cc2cc(CN)c(CN)c(c2)CN -MOL_01_030640,C1CCCCC1NC(=N)C(CC(C)C)NC(=N)C2CC(=N)N(C2)c3ccc(CN)cc3 -MOL_01_030641,CNc1ccccc1Cn2cc(-c3ccc(N)c(N)c3)c(c2)-c4ccc(N)c(N)c4 -MOL_01_030642,Cc1ccc(c(C)c1)CCC(N=2)=NC(C23)=NC(N)=NC3=O -MOL_01_030643,NCCC(=N)C1CCC(CC1)c2ccc(cc2)-c3ccc(F)cc3 -MOL_01_030644,N=C(N)c(c1)ccc(c12)N=C(CC2)c3ccc(Cl)cc3Cl -MOL_01_030645,NCc1ccccc1C(N)NCC2(c3ccccc3)CCC(CC2)NC(N)Cc4ccccc4 -MOL_01_030646,c1cncn1CCCC(=N)C(N)c2ccc(c(F)c2)-c3ccccc3 -MOL_01_030647,NCc1ccnc(c1)NC(=C)CCCc2cccnc2 -MOL_01_030648,COCCC(O)C1CCC(CC1)Oc2ccc(cc2)C(O)CCc3nccn3C -MOL_01_030649,NC(=O)C(C)Cc1cc(C(=O)N)nc(n1)-c2ccc(cc2)Cc3ccc(cc3)CC(C)(C)C -MOL_01_030650,C1CCCCN1c(cc2N)cc(c23)ccc(c3)-c4ccc(cc4)CN(C5N)C(N)c(c56)cccc6 -MOL_01_030651,CCN(CC)CCNc1cnn(c(=N)c1Cl)C(CC2(C)C)CC(C2)(C)C -MOL_01_030652,CC(C)(C)Oc1ccc(cc1)CC(N)Cc2cccnc2 -MOL_01_030653,n1ccnc(c12)ccc(c2)C(N)NC(N)Nc3cccc(c3)-c4ccccc4 -MOL_01_030654,Clc(c1)ccc(c12)C=C(N)C(CCO)C2c3ccccc3 -MOL_01_030655,Fc1cc(cc(F)c1)CNC(C)(C)CC(=O)NC(C(C2)CC(C3)C4)C3CC24C(=O)N -MOL_01_030656,n1nc(C)nc(CC2)c1C23CCN(CC3)CCO -MOL_01_030657,CNc1ccc(cc1C(F)(F)F)NC(=O)C(C)(C)CCc2ccc(cc2)NC(=O)CCl -MOL_01_030658,c1cnccc1CC(c(c23)nccc2)CCC(C3)CCON -MOL_01_030659,O=C(C1)CCCc(c12)cc(cc2)-c3ccnc(c3)CC(=O)C4CC4 -MOL_01_030660,c1ccc(c2c13)C(=N)N(C(=N)c2ccc3)CC4CCN(CC4)Cc5ccccc5 -MOL_01_030661,Cc1ccc(nc1)NCc2cc(NC(C)C)c(CN)cc2CN -MOL_01_030662,CC(C)Oc1ccc(cc1)CC2CCC(CC2)n3nccc3CC(N)C4CC4 -MOL_01_030663,c1cncn1CC(c2ccc(Cl)cc2)CC(N)c3ccc(cc3)-c4ccccc4 -MOL_01_030664,CC(=O)C(C=1C)=CC(C12)=NC=C(C2=O)C3CCCCC3 -MOL_01_030665,CCN(CC)CCCC(N)c1ccc(cc1)-n(c2N)cc(c23)cccc3 -MOL_01_030666,Clc(c1)ccc(c12)cc(O)n2CC(O)c3cccc(Cl)c3 -MOL_01_030667,Cc1cc(cnn1)C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC(C)(C)C -MOL_01_030668,CC(C)(C)c1ccc(nc1)C(=N)Nc2ccc(cc2)C3CCCNC3 -MOL_01_030669,CCC(=N)Nc(c(c1)C(C)=N)cc(c12)NCCN2 -MOL_01_030670,CCc1cc(ccc1F)OCCC2CC(CC2=O)C3(N)CCC(C)CC3 -MOL_01_030671,CC(=O)CCC(C(=O)C)NC(=O)c1ccc(cc1)CCCCc2c(C)nc(N)nc2C -MOL_01_030672,C1C=CC(N)=NC1(C)c2c(C)cc(C)c(c2)CNCCCCN -MOL_01_030673,NCN(CN)CCNC(=N)c1cccc(c12)cc3c(n2)cc(N)cc3 -MOL_01_030674,Nc1cnc(o1)C(N)C(C2)CCc(c23)cc(cc3)CCc4ccccc4 -MOL_01_030675,CC(N)CC(=C(C)C1N)c2cccc(c2c13)ccc3 -MOL_01_030676,C1CCCCN1C(CCCC)C(N)Cc2c(CN)cccc2CN -MOL_01_030677,Fc1cc(Cl)ccc1C(=N)Nc2cccc(c2)CN3CCCC3C(=N)N -MOL_01_030678,Cn1nccc1C(O)N2CCCC(C2)Cc3cccc(C(F)(F)F)c3 -MOL_01_030679,CN(C)Cc1ccc(cc1)C(=N)CCC(=N)c(c2)ccc(c23)CCC(N3)=N -MOL_01_030680,NC1=NC(N)(N)C(C)c(c12)cc3c(c2)c(C(F)(F)F)cc(c3)O -MOL_01_030681,Clc1ccc(cc1)C(CN)C(N)Nc(c2)ccc(c23)cncc3 -MOL_01_030682,Fc1cc(ccc1)CC(=N)c2cnn(c2N)-c3ccccc3 -MOL_01_030683,C1CC1CN(CCN2C)C(O)C23CCN(CC3)C(O)c4ccnnc4 -MOL_01_030684,Fc1ccc(cc1)C(CN=C2C)C23CCN(CC3)CCNC(O)c4ccc(F)cc4 -MOL_01_030685,c1cccc(c12)C(=N)N(C2=N)CCCCN3CCN(CC3)c4ccccc4Cl -MOL_01_030686,C1CCC1c2nc(N)c(O)c(n2)C3CCC3 -MOL_01_030687,CC(C)C(=N)N1CCN(CC1)c2ccccc2NC(=N)c3cccc(Cl)c3 -MOL_01_030688,Cc1ccc(cn1)Nc2ncccc2CNC(C3)Cc(c34)cccc4 -MOL_01_030689,CCCCCc1c(C)cccc1C(N)NC(C2)(C(C)N)Cc(c23)cccc3 -MOL_01_030690,CCc1c(CC)ccc(c12)CN(C2N)c3cccc(c3)NC(C)N -MOL_01_030691,CCCc1cc(O)nc(n1)CC(CC)C(O)Nc2ccccc2CN -MOL_01_030692,NCc1ccc(cc1)Cc2ncnc(c23)cc(CN)c(c3)CN -MOL_01_030693,C1=NC(N)=NC(C12)=CCC(C2)C(=N)c(c3)ccc(c34)cc(N)cc4 -MOL_01_030694,c1ccoc1C=C=CC(N)Nc2cc(C(F)(F)F)ccc2N3CCOCC3 -MOL_01_030695,Cc1cccc(C)c1C(C)c2cc(O)nc(n2)N(C)C -MOL_01_030696,CCCCN1CCN(CC1)C2(CCC2)CNC(O)c3c(N)cccc3Cl -MOL_01_030697,Cc1ccc(c(C)c1)-n2nnnc2CCC(O)NCCC3=CCCCC3 -MOL_01_030698,Nc(c1)ccc(n12)nc(c2)CCc3ccc(Cl)cc3 -MOL_01_030699,C1CCCc(c12)cc(CN)c(c2)NC(N)c3cccnc3 -MOL_01_030700,CNc1ccc(cc1)C(=O)Nc2cccc(c2)CCc3cncc(c3)C(=O)N -MOL_01_030701,Fc1cc(ccc1)CCC(O)c2cccc(n2)C(O)N3CCCC3 -MOL_01_030702,Cc1ccc(C)c(c12)C(O)c3c(C2O)cccn3 -MOL_01_030703,Fc1ccc(cc1C)CNc2ccc(cc2)C(=O)NCCCN3CCCC3=O -MOL_01_030704,Cc(n1)nc(O)c(c12)CC(CC2)Cc3ccccc3 -MOL_01_030705,CCCc1ccc(cc1)CN(c2ccc(F)cc2)CC(=O)NCc3cccnc3 -MOL_01_030706,CNc(c1)ccc(c12)C(O)N(C2O)CNc3ccccn3 -MOL_01_030707,Cc1cnc(cc1C)NC(O)c2cc(ccn2)Cc3cncnc3 -MOL_01_030708,COc1cccc(c1)CNc2nnnn2-c3cccc(C)c3C -MOL_01_030709,c1ccccc1-c2cc(C)c(cc2)C(N)NC(C)CCCCN -MOL_01_030710,CC1(C)CC(=NC1(C)C)c2ccc(cc2)OCC(=O)NC(C(=O)O)CCCCN -MOL_01_030711,NCc1cccnc1NCc2ccc(cc2)CCCC3CCCO3 -MOL_01_030712,Nc1nc(ccc1)CC(=N)c2ccc(nc2)-c3ccccc3 -MOL_01_030713,c1cccnc1C(O)N(CCC)CC(O)Nc2ccccc2CN -MOL_01_030714,NCC(O)c(c1)ccc(c12)nc3c(c2O)cc(Cl)cc3 -MOL_01_030715,CC(N)CCCCCCCn1cnc(c1)-c(c2)ccc(c23)cc(cc3)ON -MOL_01_030716,NCc1ccc(cc1C)C2CNC(C2)c3cc(CN)c(CN)c(c3)CN -MOL_01_030717,COc1cccc(c1)-c2ccc(o2)/C=C3/CC(=O)NC3=O -MOL_01_030718,c1ccccc1C(CC)NC(=O)N2C(=O)CC2/C=C/c3ccccn3 -MOL_01_030719,CCN(CC1)CC12CC(O)N(C2)c3cnn(C)c3 -MOL_01_030720,NCc1ccnc(c1)N2CCN(CC2)C(O)NC3CCCC3 -MOL_01_030721,CCCCc1cc(C(=O)C)c(C)c(N)c1-n2cccc2 -MOL_01_030722,CC(C)(C)c1ccc(CN)c(c1)NC(O)NCN(O)C2=NNC(O)CC2 -MOL_01_030723,CCc1cc(C(N)O)c(N)c(c12)cc(C(C)N)c(c2)C3CCCCC3 -MOL_01_030724,Cc1cc(O)cc(c12)c(C)c(cc2)CC(C)C(O)CCCCn3ccnc3 -MOL_01_030725,CNc1ccc(cc1NC)CCNC(=N)NC(c2ccccc2)C(=N)Nc3cccc(Cl)c3 -MOL_01_030726,c1cccc(c12)CN=C2NC(C)C(=O)NCc(c3)ccc(c34)OCO4 -MOL_01_030727,NC(=O)C1CCCN(C1)C(=O)Nc2ccccc2CC3CCCC3 -MOL_01_030728,Cc1cc(F)cc(c12)CC(=NC2(N)N)C(N)c(c3)ccc(c34)cccc4 -MOL_01_030729,c1cccnc1ONC23C(NON2)CN(C3)Cc4ccoc4 -MOL_01_030730,Nc1ccccc1NC(O)CCCCCNC(O)c2ccnc(c2)N3CCCCC3 -MOL_01_030731,Cc1ccc(cc1)-c2ncc(c(n2)O)C(=O)C3CCCC(N)C3 -MOL_01_030732,C1CCc(c12)c3c(cc2O)cc(cc3)CCC(O)N4CCCCC4 -MOL_01_030733,FC(F)(F)c1cc(ccc1)NC(=O)CC2CC(=NC2=O)N3CNONC3 -MOL_01_030734,c1ccccc1C(C(C)C)(CN)CCCN2CCN(CC2)CCNc3cccc(F)c3 -MOL_01_030735,CC1NCC(CN1)c2ccc(cc2CN)NC(=O)c3ccccc3 -MOL_01_030736,OCCN1CCN(CC1)C(=O)c2cn(cn2)-c3ccccc3Cl -MOL_01_030737,Cc(c1)cc(n12)nc(cc2O)CN(C)c3ccccc3 -MOL_01_030738,n1cccc(c12)ccc(c2C)C(NC(=O)C)c(c3)ccc(c34)cccc4 -MOL_01_030739,Cc(c1)ccc(c12)c(N)c(cc2CC)C(N)Cc3ccccc3C(N)CC -MOL_01_030740,Cc1cc(C)cc(c1)-n2cnc(c2N)C(N)NC(C)C -MOL_01_030741,Cc1nc(C)ncc1Cc2cc(OC)c(c(c2)OC)OCCCCC(O)OC -MOL_01_030742,Cc1cc(CN)cc(c1)Cc(n2)ncc(c23)C(=N)CCC3 -MOL_01_030743,NCc1ccccc1Cc2nc(C(Cl)(Cl)Cl)nc(c23)cccc3 -MOL_01_030744,CCc1ccc(c(c1)CN)Cc2ccc(C(F)(F)F)cc2C(N)Nc3ccc(C(C)N)nc3 -MOL_01_030745,Cc1cccc(n1)C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCCC4 -MOL_01_030746,CC(C)c1cc(ncn1)-c2ccccc2N -MOL_01_030747,NCCCCCc(n1)nc(c(c12)cccn2)CCCCCN -MOL_01_030748,C1CCC=C1CC(=N)c2ccc(cc2)-n3nc(N)cc3N -MOL_01_030749,Cn1nc(N)c(c1C(C)C)CCCCc2cccc(c2)ON -MOL_01_030750,c1cccnc1C(=O)C(C)C(CCN)c2cccc(c2)C(C)(C)C -MOL_01_030751,CC(=O)Nc1ccc(cc1)NC(=O)c2nc(ncc2Cl)CCc3cccc(C)c3 -MOL_01_030752,Clc1ccc(cc1)-c2oc(C)c(n2)CC(O)CC(=O)NC3CC3 -MOL_01_030753,CCCC(=O)C(CN1)CNC12CC(=O)c3c(C2)cccc3 -MOL_01_030754,NC1CC(N)c2ccc(Cl)c(c2c13)ccc3 -MOL_01_030755,NC(N)(N)C(=N)CC1C(=CCC2)C2c(c13)cccc3 -MOL_01_030756,C1NCc(c12)c3c(cc2)c(N)c(cc3)-c(c4)ccc(c45)CNC5 -MOL_01_030757,CC(=O)CCC(=O)c1ccc(cc1)CCc(c2)ccc(c23)n(cn3)C -MOL_01_030758,NCC1CC(C1)CN(C(C(=O)N)CCC(F)(F)F)Cc2ccc(Cl)cc2 -MOL_01_030759,CC(N)c1ccccc1-c(c2)ccc(c23)cc(cc3N)N4CCCCC4 -MOL_01_030760,CCCC(N)c(c1)ccc(c12)cc(cc2)Cc3ccnc(c3)C(N)NC -MOL_01_030761,C1CCCC1c2nc(C)c(C)c(c2C)Oc3ccc(CO)cc3 -MOL_01_030762,NC(=O)C(C)CC(=O)c1cc(ccc1CC)CN2CCCCCC2 -MOL_01_030763,CCn1nc(C)c(c1C)CNC(O)Nc(c2)ccc(c23)CCC3 -MOL_01_030764,Fc1cc(ccc1)C(=O)CCC(=O)NC(=O)NCc2ccccc2 -MOL_01_030765,Cc1cc(CN)cc(C)c1Oc2ccnc(n2)CCC(N)Nc3cc(Cl)cc(Cl)c3 -MOL_01_030766,COc1ccc(cc1)Cc2nnc(o2)CCC(N)N3CCN(CC3)c4ccccc4 -MOL_01_030767,Cn1ccnc1CCC(=O)Nc(c2)ccc(c23)CC(F)(F)C3 -MOL_01_030768,NC(=O)Nc(c1)ccc(c12)C=3N(C2)CCCN3 -MOL_01_030769,CC(C)c1nn(C)c(CN)c1CNCc(c2)ccc(c23)CCC3 -MOL_01_030770,NCc1ccc(cc1)C(N)N(CCN(C)C)CC2CCCN(C2)C(C3)Cc(c34)cccc4 -MOL_01_030771,CCc1ccc(c(C)c1C)Oc2cnc(cn2)C(=O)CC(CO)COC -MOL_01_030772,c1cnccc1CC2CCN(CC2)C(=O)NCc3ccccc3CC(F)(F)F -MOL_01_030773,CC(C)(C)Cc1ccc(cn1)N2CCC(CC2)n3cncn3 -MOL_01_030774,CCCC(=N)C1CCCN(C1)C(=N)Cn2cccc2C(=N)c3ccccc3 -MOL_01_030775,Cc1ccc(c(C)c1C)NC(=O)CN(C)c2cnccn2 -MOL_01_030776,CC(C)Cc1cc(ccc1N)CC(=O)c(n2)ccc(c23)cccc3 -MOL_01_030777,CC(C)Cn(n1)nc(c12)C(O)c3c(C2O)cnnc3 -MOL_01_030778,Nc1c(Cl)c(N)nc(c1CN)CCc2ccc(Cl)cc2 -MOL_01_030779,c1ccccc1NC(=O)CCC(NCc2cc(Cl)ccc2Cl)C(=O)Nc3ccccc3 -MOL_01_030780,CCC(C1O)=C(C)C(O)c(c12)c(C)ccc2 -MOL_01_030781,CC(C)c1ccc(cc1)NC(=O)CN2C=NCc(c23)cccc3 -MOL_01_030782,NC(N)Cc1ccc(cc1)C(N)C(N)n2nnc(c23)cccc3 -MOL_01_030783,CC(N)CCn(c1N)nc(c12)cccc2 -MOL_01_030784,C1CCCCCC12C(=C(C)N(C2)N)C(N)NCc3ccccc3C -MOL_01_030785,CCCCc1ncc(c(n1)C)Oc2cc(N)c(OC)cc2C(C)C -MOL_01_030786,Cc1cc(C)c(c(C)c1)C(N)c2ccc(cc2)C(N)NC(C)(C)C -MOL_01_030787,Cc1nccc(-c2cnn(C)c2)c1CCc3ccc(N)nc3 -MOL_01_030788,c1cccc(c12)c(CN)cc(c2CC)C(=N)NC3CCN(C3)Cc4ccccc4 -MOL_01_030789,CC(C)CCc1ccc(cc1CN)C(=O)CCC(=O)NCC2CCCCC2 -MOL_01_030790,c1ncnn1CC(C)(CCN)c2ccc(cc2Cl)Cc3ccc(Cl)cc3 -MOL_01_030791,CN1CCN(CC1)Cc2cc(ccc2CN)-c3ccc(cc3)NC(N)c4cccc(Cl)c4 -MOL_01_030792,O1COc(c12)ccc(c2)CC(=O)c3ccc(cc3)CC(=O)C(C4)Cc(c45)cccc5 -MOL_01_030793,CCc1ccccc1CCC(O)Nc2nnc(n23)CCC3 -MOL_01_030794,c1ccccc1N(CC)Cc2ccc(Cl)c(c2)NC(=N)CNC(=N)C3CC3C -MOL_01_030795,NCc1ccc(cc1)CCCCNCCN(C2N)C(N)c3cccc(c3c24)ccc4 -MOL_01_030796,O=C(O)COc1ccc(cc1C)CCc2cn(nn2)-c3ccc(C(F)(F)F)cc3 -MOL_01_030797,CCCN(CCC)C(C1)CCc(c12)n3c(nn2)nnc3 -MOL_01_030798,COCCC1CCC(CC1=O)C(=O)c2cccc(c2Cl)C(C)(C)C -MOL_01_030799,CC(C=1)=CC(C12)=NC(=NC2=N)CCCCCN3CCN(CC3)Cc4ccccc4 -MOL_01_030800,Cc1ccc(cc1)C(N)Nc(c(c2)C(C)N)cc(c23)CCCC3 -MOL_01_030801,Nc1nc(C)ccc1C(N)N(CC)Cc(c2)ccc(c23)CCCC3 -MOL_01_030802,CC(=O)CCC(C(=O)C)NC(=O)Cc1ccc(c(C)c1)N(CCCl)CCCl -MOL_01_030803,Nc1cc(N)n(n1)-c2nncc(n2)-c3ccccc3 -MOL_01_030804,Nc1ccc(N)c(c1)CC(N)CC23C(CCC2)CCC3 -MOL_01_030805,Cc1cccc(C(C)N)c1NC(N)Cc2cccc(c23)cccc3 -MOL_01_030806,CCC(CC)CNNc(c1)ccc(c12)nc(C)c(Cl)c2N -MOL_01_030807,CC(=N)c1cccc(c1)CN2CCC(CC2)C(=N)Nc3ccc(cc3)Cc4cccnc4 -MOL_01_030808,CC(C)(C)C1=C(CN)C(C(CN)=C(N)C1)c2cccc(c2)CN -MOL_01_030809,CNc1ccccc1N2CCN(CC2)CCc3ccc(cc3)CN(C4=N)C(=N)c(c45)cccc5 -MOL_01_030810,c1ccccc1C2OC(=N)CCCCC(=N)C(C2)OC(=N)c3ccccc3 -MOL_01_030811,Fc1ccc(cc1)N2CC(C(=O)C)N(CC2)C(=O)CC(C)(C)C -MOL_01_030812,Cc1ccc(cc1C)N2CC(CC2=N)NC(=N)Cc3ccc(F)cc3 -MOL_01_030813,CCc1ccc(cc1F)OC2CCC(CC2)OC3CCN(CC3)C(=N)OC(C)(C)C -MOL_01_030814,c1cncc(c12)cccc2CC(C)c3cn(nn3)-c4ccc(Cl)cc4 -MOL_01_030815,CCc1cccc(c12)C(O)C(=CC2O)Cc3ccccc3 -MOL_01_030816,CN1CCN(CC1)C(N)c2ccccc2NC(N)Cc3ccccc3 -MOL_01_030817,NCc1ccc(cc1)NC(O)c(c2O)cnc(n23)ccc3 -MOL_01_030818,CCCCCCc(c(c1)CN)cc(c12)ccnc2C(N)c3ccccc3 -MOL_01_030819,CCc1cccc(c1)NC(=O)CC(C)C(=O)Cc2ncc(Cl)cc2Cl -MOL_01_030820,Fc(c1)ccc(c12)CN(C2)C(=N)Nc3ccc(cc3)C(=N)N(C4)CCC(C45)CCC5 -MOL_01_030821,c1cccc(c12)nc(nc2C)CN(Cc(c3)ccc(c34)CNC4)C(N)c5cccc(c5)CN -MOL_01_030822,CCc1cc(ccc1)/C=C2\CC(=C)N(C2=O)CC(=O)NC3C=CCC3 -MOL_01_030823,Cc1cc(C)c(cc1C)CN2CCN(CC2)CN3C=C(C(O)NC4CC4)C=CN3CN -MOL_01_030824,c1cccc(c12)C(=N)N(C2=N)c3ccc(cc3)CN4CCN(CC4)c5ccccc5 -MOL_01_030825,c1cccc(c12)nc(nc2C)CCC(=O)CCC(=O)Nc3ccccc3 -MOL_01_030826,CC(=O)C1CCC(=N1)c(n2)ccc(c23)cc(C)cc3 -MOL_01_030827,CC(C)CCNCc1ccc(c(F)c1)Cc2ccc(cn2)C(N)N -MOL_01_030828,Cc1cccc(n1)NC(N)C(C(C)C)c2ccc(Cl)cc2 -MOL_01_030829,NCCCc(c1)ccc(c12)N=C(CC2)C(=O)CC(N)Cn3ccnc3 -MOL_01_030830,CCCCNC(O)N1CCCN(CC1)Cc(c2)ccc(c23)n(cc3)CC -MOL_01_030831,N=C(N)CCC(C(=N)N)c1ccccc1Cc2ccc(cc2)-c3ccc(NN)cc3 -MOL_01_030832,C1CCNC1CCC(=O)c2cccc(c2)NC(=O)c3ccoc3 -MOL_01_030833,CC(=O)n1ccc(n1)-c2ccc(cc2)Oc3ccc(Cl)cc3C -MOL_01_030834,CCCC(=O)NC1CCN(CC1)CCCC(=O)c2cc(Cl)c(N)cc2CC -MOL_01_030835,c1cccc(c12)c(O)nnc2CC(=O)CCc3ccccn3 -MOL_01_030836,c1cccc(c12)nc(n2C)C(=N)c3cccc(c34)cccc4 -MOL_01_030837,NOCCCC(=O)c1ncn(c1ON)Cc2ccccc2 -MOL_01_030838,NCc1ccc(cc1)NC(c2cccc(c2)CN)CC(=N)CCc(c3)ccc(c34)cc(cc4)CN -MOL_01_030839,Cc1c(C)c(O)cc(c12)c(C)c(cc2)CCC(O)Nc3ccccn3 -MOL_01_030840,Fc1cnc(cc1)NCc2cc(CN)c(cc2)Oc3cnc(CN)c(Cl)c3 -MOL_01_030841,CCc1cn(nn1)-c2ccc(cc2)CN(C3)CCc(c34)cc(CN)c(c4)CN -MOL_01_030842,c1cccc(C2=N)c1C(=N)C23C(c4ccc(cc4)OC)CC(=N)CC3c5ccc(OC)cc5 -MOL_01_030843,c1ccccc1CC(N)CCc2ccccc2C(N)c3cnn(c3)-c4ccccc4 -MOL_01_030844,NCC(=O)c(c1)ccc(c12)C3C(C(=O)C2)CCC3 -MOL_01_030845,c1cccnc1N(C)C(O)c2ccc(CN)c(c2)CCC3CC3 -MOL_01_030846,NCc1ccc(cc1)CCCC(=O)CC(N)C(=O)Cc2ccccc2N -MOL_01_030847,NCCCN(C)C(=O)COC(=O)c1ccc(Cl)c(c1)CN(C)c2ccccc2 -MOL_01_030848,c1cccc(c12)cc(c(c2)CN)C(=N)N(C)CC(=N)Nc3cc(Cl)ccc3CN -MOL_01_030849,C1COCCN1c2nc(C)cc(n2)C(O)Nc3cnn(c3)CC(C)(C)C -MOL_01_030850,NC(=O)c1ccn(c1)-c2cccc(c2)CC(=O)NCCCCCCc3ccc(F)cc3F -MOL_01_030851,NCc(c1)ccc(c12)ccc3c2CC(N)C(C3)c4ccccc4Cl -MOL_01_030852,c1ccncc1CNC(=O)c2cccc(c2)CNc3cccc(Cl)c3 -MOL_01_030853,Cc1ccc(cc1)NC(O)c(c2)ccc(c23)nc(C)cc3O -MOL_01_030854,N=Cc1cc(cc(NN)c1N)-c2cccc(c2)NCc3ccccc3 -MOL_01_030855,CC(C)(C)c1ccc(c(NF)c1)N2CCN(CC2)c3ncccn3 -MOL_01_030856,N=C1CC(=N)N(C(CC23)C(C2)CC3)C(=N)N1CCc4cccc(C(F)(F)F)c4 -MOL_01_030857,C1CCc(c12)ccc(c2)CNC(=O)C(C)CC(=O)c3nccnc3N -MOL_01_030858,Fc1ccc(cc1C)C(=N)C(CC)(CC)NC(=N)c2cccc(CN)c2C -MOL_01_030859,CN1CCN(CC1)Cc2cc(ccc2CN)-c3ccc(cc3)NC(O)c4cccc(Cl)c4 -MOL_01_030860,Nc1nc(O)c(N)c(n1)-c2cccc(c2)NO -MOL_01_030861,CCc(c1)ccc(c12)ncnc2Cc3cccc(N)c3 -MOL_01_030862,c1ccccc1-c2ccc(C)c(c2)NC(N)c3ccc(cc3)CNCCn4cccn4 -MOL_01_030863,CC(C)Cc1ccc(cc1)C(C)C(O)Nc2ccncn2 -MOL_01_030864,Clc1ccc(cc1)CC2=NC(=O)C(C2=O)c3ccc(Cl)cc3 -MOL_01_030865,CC(=N)C1=C(C)NC(=N)CC1c2ccc(F)cc2 -MOL_01_030866,C1CCCN1c2ccc(cc2)C(=N)CCC3CCN(CC3)Cc4ccccc4CN -MOL_01_030867,NCC1CCC(CC1)CC(N)(O)c2cccc(C(F)(F)F)c2 -MOL_01_030868,Oc1ccc(cc1)N2CCN(CC2)CC(N)Nc3ccccc3C(N)NCCc4ccccc4 -MOL_01_030869,NC(N)c1cc(ccc1)-c2ccc(cc2)CC(N)NCCCCN3CCN(CC3)c4ccccc4 -MOL_01_030870,CN(C)CNC(O)c1cccc(c12)C(O)c3c2cccc3 -MOL_01_030871,Nc1ccccc1CC(=O)CCCCCC(=O)Cc2ccc(O)cc2 -MOL_01_030872,CN(C)C(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)CCc3cncc(c3)C(=O)N -MOL_01_030873,c1ccccc1C(c2ccccc2)C(=N)NC3CC(=N)N(C3)c4ccccc4 -MOL_01_030874,c1cccnc1CNCc2ccc(CC)c(c2)NC(=O)c3ccccc3 -MOL_01_030875,CC(C)(C1)CCc(c12)c3c(c(CC)cc(N)c3)c(c2)CCC(N)NCc4ccccn4 -MOL_01_030876,CCCCC1=C(CN)C(CC(N)N1)c2ccccc2CCC -MOL_01_030877,CC(C)C(C)NC(=O)c1ccc(cn1)CCc2ccccn2 -MOL_01_030878,OC1C(O)C(N(C)O)=Cc(c12)cccc2 -MOL_01_030879,Cc1nc(N)nc(c1NO)NCCc2ccccc2 -MOL_01_030880,COc1c(OC)cc(cc1OC)C(O)CCc2cnc(C)nc2C -MOL_01_030881,c1cc(Cl)cc(c12)c(=N)n(cn2)CCCn3ccnc3 -MOL_01_030882,C1CCc(c12)ccc(c2)C(=N)C3CCCN(C3)Cc4cc(CN)c(CN)cc4CN -MOL_01_030883,n1nnnc(c12)cc(nc2N)C3CCCCC3 -MOL_01_030884,Cc1ccc(cc1)CNCCc2ccc(c(c2)CN)NC(O)Nc3cnc(cn3)CN -MOL_01_030885,NCc1ccc(cc1CN)NCc2c(C)c(N(C)C)cc(c2)Cc3ccccc3Cl -MOL_01_030886,CNc1c(C)nn(c1C)C(C)C(O)N2CCCCC2 -MOL_01_030887,NCc1ccccc1C(O)Nc(c2)ccc(c23)CC(O)NC3 -MOL_01_030888,Cc1cccc(c1)CC(N)Cc2ccc(cc2)-c3cccc(c34)C(N)CC4 -MOL_01_030889,CC(C)(C)c1ccnc(n1)-n2cc(cn2)-c3ccc(CN)cc3 -MOL_01_030890,Nc1ccccc1Nc2ccc(cc2)C(N)c3ccccc3-c4ccccc4 -MOL_01_030891,CN(C)CCN(C1O)C(O)c2cccc(c2c13)c(cc3)NCCNCCO -MOL_01_030892,CC(C)(C)c1cc(CF)ccc1CC(=O)COC(=O)c2cccnc2 -MOL_01_030893,CCCCOc1ccc(cc1)-c2ccc(cc2)CCC(NC=N)CN(C(=N)N3)C(=N)C3(C)C -MOL_01_030894,c1cc(N)cc(c12)CC(N)=C(CN)C2c3ccccc3 -MOL_01_030895,C1CCCCC1CC(c2ccccc2)C(=N)NC3CCN(CC3)C(=N)CCc4cccnc4 -MOL_01_030896,NCC(=O)C(C12)=C(C(C1)CC2)c3ccccc3 -MOL_01_030897,CNc1cc(NC)c(c(c1)NC)C(N)CCc2ccc(NC)c(c2)NC -MOL_01_030898,Cc1cccc(c1)NC(=O)C2(CC2)C(=O)Nc3ccc(c(C)c3)Cc4ccnc(n4)N -MOL_01_030899,CCc1ccc(Cl)cc1NCC(O)NCCc2ccccn2 -MOL_01_030900,CC(C)(C)c1cccc(c1)CC(=O)c2cccc(c2=3)=CC(N3)=O -MOL_01_030901,CCc1cccc(c1)-c2ccc(c(F)c2)NC(N)C3=C(C(C)N)CCC3 -MOL_01_030902,CCc1ccc(cc1)C(=N)NCCCCN2CCN(CC2)c3ccccc3ON -MOL_01_030903,c1ccncc1C(=N)Nc2cc(ccc2N)-c3ccc(cc3)C(=N)c4ccccc4 -MOL_01_030904,NOc1ccc(cc1)-n2cc(nn2)C(O)NCCc3ccc(O)cc3 -MOL_01_030905,CCc1ccc(NC(=O)C)cc1NC(C)C(=O)Nc2ccc(cc2)CN3CCCCC3 -MOL_01_030906,c1ccc(F)c(c12)CCC2NC(N)CCc3ccc(C(N)N)cc3 -MOL_01_030907,COc1ccc(cc1)/N=C2/CC(CC(=O)N2C)C(=O)Nc3ccc(F)cc3 -MOL_01_030908,Cc1c(O)nc(O)nc1C(O)OCC(O)Cc2ccc(cc2)OC(C)C -MOL_01_030909,Cc1cc(N)ccc1Cc2cc(N)nc(n23)ncc3 -MOL_01_030910,CCCc1ccc(cc1)C(=O)NCC(=O)CCC(=O)N2CCCCC2 -MOL_01_030911,CCCC(O)CC(O)Nc1c(C)cc(C)cc1C -MOL_01_030912,NCc1ccc(c(c1)CN)CN(CC2)CCC2(O)COc3ccc(CN)c(F)c3 -MOL_01_030913,CCc1ccc(cc1)-c2ccc(cc2)C(N)NCC(N)NCc3ccccc3C -MOL_01_030914,O=C1N=NC=C1c2ccnc(n2)NCCc3cccnc3 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-MOL_01_030985,c1cccc(c12)c(CN)cc(c2ON)C(=N)NCCN3CCN(CC3)c4ccccc4 -MOL_01_030986,C1CCCC1NC(=O)c2ccc(nc2)CCc3cccnc3 -MOL_01_030987,CC(C)C(C)(O)C(=O)Cc1ccc(CO)c(c1)C(C)(C)C -MOL_01_030988,CCc1cccc(c1CC)CC2CCNC(=O)C2CC(=O)NCCCc3cccnc3 -MOL_01_030989,NC(=O)c1ccc(nc1)Cc2ccc(cc2)CNCCc3cccc(F)c3 -MOL_01_030990,NOc1cc(N)c(Cl)cc1C(N)NC(C2)CCC(=C23)CCCC3 -MOL_01_030991,c1ccccc1-n2ccnc2NCc(c3)ccc(c34)OCO4 -MOL_01_030992,CCc1cccc(c1)C(=N)NCCCCN2CCN(CC2)c3ccccc3CN -MOL_01_030993,COc1ccccc1CNC(=N)N2CCCC2C(=N)NC(c3ccccc3)c4ccccc4 -MOL_01_030994,COc1cc(ccc1)NC(CC)C(=O)NCc(c2)ccc(c2=3)=NC(N3)=O -MOL_01_030995,c1cnccc1CCC(=N)CCC(=N)C2Cc(cccc3)c3Oc(c24)ccc(Cl)c4 -MOL_01_030996,CCc1ccc(cc1CC)CCN(C)C2CCCN(C2)C(N)c3ccnn3C -MOL_01_030997,NCC(O)c1ccccc1NC(O)N2CCN(CC2)c3ccccc3F -MOL_01_030998,CCN(CC)CCNC(O)c1cc(Cl)c(N)cc1CCC(C)O -MOL_01_030999,CC(=O)CCC1CC(=O)C(C1)c2ccc(C(=O)C)cc2C -MOL_01_031000,C1CCNC1CNCc2c(Cl)cc(C)c(c2)NCC(=N)NC3CCCCC3 -MOL_01_031001,c1ccccc1CCN(C)C(CCc2ccccc2)C(=N)NC(C=C3)=CN(N34)CNNC4 -MOL_01_031002,NOc1ccccc1NC(=O)CN(CC)C(=O)CCCC(=O)Nc2cccc(C)c2 -MOL_01_031003,NCCCNC(=N)c1cccc(c1)CC2CCN(CC2)Cc3ccc(CC(F)F)cc3 -MOL_01_031004,CN1C(C)(C)N(C)c(c12)ccc(c2)CCc3ccccc3CNNC(N)O -MOL_01_031005,CCc1nc(C)nc(C)c1CCC(C)c2cc(ON)c(ON)c(c2)ON -MOL_01_031006,CCc1nc(C)nc(C)c1CCC(C)c2cc(OC)c(OC)c(c2)OC -MOL_01_031007,c1cncc(c12)nc(nc2O)Cc3cnn(c3)CC4CCCCC4 -MOL_01_031008,CCc(n1)nnc(c12)ccc(c2)CCCCN3CCCCC3 -MOL_01_031009,Cc1ccc(cc1)-n2cncc2C(N)Nc3cccc(Cl)c3 -MOL_01_031010,c1cccnc1CNC(=N)C(CCCC)NC(=N)c2ccc(Cl)cc2Cl -MOL_01_031011,NCCCc1ccc(cc1)C(N)Nc2cccc(n2)Nc3ccccc3F -MOL_01_031012,Oc1ccc(cc1)CCCc2ncnc(c23)cccc3 -MOL_01_031013,NCc1ccc(cc1)CNC(=N)CCC(=N)c2cccc(c23)cccc3 -MOL_01_031014,Nc1ccc(N)c(c12)c(N)n(c2N)C(N)c3ccccc3 -MOL_01_031015,Cc1cc(C)n(n1)C(=N)c2ccc(C)c(c2)CN3CCCC3 -MOL_01_031016,Nc1ccccc1N2CCN(C(N)C2N)Cc3cccc(Cl)c3Cl -MOL_01_031017,CC(O)Cc1cccc(c12)CCC(=C2)c3ccccc3N -MOL_01_031018,Cc1cc(Cl)cc(c1C)NC(=O)CCC(N)C(=O)N2CCCCC2 -MOL_01_031019,N=C1CC(C)(C)CC(CC(N)=C2CN)=C1C23CCN(CC3)Cc4ccccc4 -MOL_01_031020,Nc1cc(C(F)(F)F)cc(n1)Cc2ccc(cc2)NN3CC(N)NC3N -MOL_01_031021,Cc(n1)cc(=O)n(c12)COCC2 -MOL_01_031022,CNc1ccccc1C(N)NCC2(CCC(N)CC2)c3ccccc3 -MOL_01_031023,CCCCc1ncc(Cl)c(n1)C(=N)N(Cc2ccco2)Cc3ccccc3 -MOL_01_031024,c1ccccc1CN(C2)C(CC(N)N)c(c23)cc(C(F)(F)F)cc3 -MOL_01_031025,NCc1ccc(cc1)C(N)CCC(N)Nc2ccc(Cl)cc2 -MOL_01_031026,C1CCC1CN(CC(C)(C)C)C(O)c2cc(ccn2)-n3cccn3 -MOL_01_031027,c1cccc(c12)cccc2CNC(=N)C3CC(=N)N(C3)c4ccccc4 -MOL_01_031028,c1cccc(c12)c(cc(n2)C)C(O)NC(C)CCC(C)C -MOL_01_031029,CNC(N)C(N)CCCCCCCc1ccc(cc1)-c2ccccc2 -MOL_01_031030,CNc1ncn(n1)CCCNC(=O)c2ccc(C(C)(C)C)nc2 -MOL_01_031031,CCc1ccc(cn1)C(O)N2CCC(CC2)Nc3cccnn3 -MOL_01_031032,CNCCCC(CN)(C(C)C)c1ccc(NC)c(c1)NC -MOL_01_031033,Fc1ccccc1C(C)NC(=NC2=O)CC2(C)C(C)C -MOL_01_031034,Nc1cc(ccn1)-c2ccc(cc2)CCC(N)c3c(F)cccc3Cl -MOL_01_031035,Cc1cc(C)n(n1)CC2CCCN(C2)CC(=O)Nc3cccnc3 -MOL_01_031036,CCc1cccc(c1)C(=N)N2CCC(CC2)C(=N)c3ccc(F)cc3 -MOL_01_031037,CC(=O)C(N)c1ccc(c(F)c1)-c2cccc(c2)CC(=O)NC3CC3 -MOL_01_031038,Cc1ccc(cc1C)NC(N)CCC(N)c2ccc(cc2)-n3cccn3 -MOL_01_031039,c1ccccc1CNC(=N)CCc2n(CC)c(nn2)CC(=N)Nc3ccc(C)cc3 -MOL_01_031040,C1NCc(c12)ccc(c2)C(=N)NC3CCCc(c34)cccc4 -MOL_01_031041,Cc1ccc(cc1)C(N)CCC(N)N(C(C)C)Cc2ccccc2 -MOL_01_031042,CCCC(O)c1cnn(c1N)Cc2ccc(C)cc2 -MOL_01_031043,CN1CCN(CC1)c2ccc(Cl)cc2NC(Cl)CCc3cc(CN)c(CN)c(c3)CN -MOL_01_031044,NCc1cc(CN)nc(n1)NC2CC(=O)c(c23)cccc3 -MOL_01_031045,Cc1cccc(c12)ccc(n2)C(O)Nc3ccc(C(F)(F)F)cc3 -MOL_01_031046,CCCc1ccccc1CN2CCC(CC2)N3CCC(CC3)C(N)NC4CC4 -MOL_01_031047,c1ccncc1NC(=O)C(N)NCc2ccc(Cl)c(Cl)c2 -MOL_01_031048,c1ccc(N)c(c12)C3C(CC2=N)CCCC3 -MOL_01_031049,Cc1c(F)nc(nc1F)-c2cncnc2-c3nnc(N)nn3 -MOL_01_031050,c1ccnc(c12)ncc(c2C)C(O)NCc3ccccc3 -MOL_01_031051,COCc1cc(OC(N)C(C)C)cc(c1)-c2ccc(N)c(Cl)c2 -MOL_01_031052,CC1(C)CC(O)N(C(O)C1)CCCCN2CCN(CC2)c3ccccn3 -MOL_01_031053,c1ccccc1CCC2C(N)CCc(c23)ccc(c3)CNCCC4CNCNC4 -MOL_01_031054,CC(C)(C)c1cccc(c1)C(N)Nc2cccc(c2)Nc3ccnc(c3)NC(N)C4CC4 -MOL_01_031055,Cc1cc(O)cc(c12)cc(cc2)CCC(O)CCC(O)NC3CC3 -MOL_01_031056,NC1N(C)CCc(c12)c(ccc2)CCC(N)NC3CCCCC3 -MOL_01_031057,NCc1cccc(N)c1NC(N)CC2CCC(CC2)c3ccccn3 -MOL_01_031058,FC(F)(F)Oc1ccc(cc1)CC(O)c2ccnc(c2)-c3cncnc3 -MOL_01_031059,CCc1ccc(cc1NC)C(=O)N(C)CC(=O)N(C)Cc2ccccc2 -MOL_01_031060,CCCCCCCCC(N)NCc1cc(CN)c(N)c(c1)-c2ccccc2 -MOL_01_031061,CC(C)CC(N)(N)CCC(=N)C1CCC(CC1)Cc2ccccc2O -MOL_01_031062,NCc1cccc(c1)C(CN)N2CCN(CC2)C(N)CC(c3ccccc3)c4ccccc4 -MOL_01_031063,O=C(N=1)N=c(c12)nccc2Oc3ccc(cc3)NC(=O)Nc4ccccc4 -MOL_01_031064,NCc1cc(cc(F)c1)C(=C)Nc2cc(C)cc(n2)C -MOL_01_031065,CC(C)CNCC1CCC(CC1)NCCN2CNOc(c23)ccc(Cl)c3 -MOL_01_031066,CCCCNC(N)c1ccc(cc1)CC2CCN(CC2)C(N)CCCC -MOL_01_031067,CN(C)CCN(C1=N)C(=N)c2cccc(c2c13)cc(c3)NC(=N)c4ccccc4 -MOL_01_031068,CCCCCCC(N)c1c(CN)c(Cl)c(CN)c(Cl)c1CN -MOL_01_031069,Nc1ccccc1Cc(n2)ncc(c23)CCCCC3 -MOL_01_031070,C1CNCCN1CCNc2ccc(cc2)C(CC3)CCC34NNC5(N4)C6CC7CC(C6)CC5C7 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-MOL_01_031088,Clc1ccc(cc1)CNC(=N)NNC(=N)C2CN(N)Cc(c23)cccc3 -MOL_01_031089,COc1ccc(cc1)C(=O)Nc2cccc(c2)CNC3=NCCCCC3 -MOL_01_031090,Nc1ccccc1-n2cc(cn2)C3=NCN(CC3)CCN4CCCCC4 -MOL_01_031091,CCCC(NC)c1ccccc1NCc2ccc(cc2)CN(N)C(C)(C)C -MOL_01_031092,c1ccccc1-c2ccc(N)c(c2)NC(N)c3ccc(cc3)CN(C(N)O)Cc4cccnc4 -MOL_01_031093,CCc1ccc(CO)cc1CC(O)C2CCCCC2 -MOL_01_031094,CNC(=O)c1cccc(c1)Nc2cccc(c2)N3CC(C3)Cc4ccc(F)cc4 -MOL_01_031095,NCc1ccccc1Cn2cc(c(n2)N)Cc3ccccc3 -MOL_01_031096,CNc1ccc(cc1)CN(C2)CCc(c23)c4c(cc(NC)c(c4)NC)c5c3cc(NC)c(c5)NC -MOL_01_031097,CC(N)CCCCc(c1)ccc(c12)nc3c(c2)cc(N)cc3 -MOL_01_031098,CNc1ccc(cc1)N2C(=N)CC(C2=N)Cc3ccccc3 -MOL_01_031099,NNCc(c1N)ccc(c12)cc(cc2Cl)CCNc3cccnc3 -MOL_01_031100,n1cnnnc1C(=N)NC2CCCc(c23)nnnn3 -MOL_01_031101,N=C(N)c1cc(ccc1)CN2CC(CCC)N(CC2)CCc3ccccc3 -MOL_01_031102,Cn1cc(cn1)CNCCc2nnc(n23)cccc3 -MOL_01_031103,Clc1cccc(Cl)c1CC(=O)Nc2ccc(cc2)CNc3ncccn3 -MOL_01_031104,CC(=O)CCC(C1=O)Cc(c12)ccc(c2)CC(=O)c(c3)ccc(c34)CCCC4 -MOL_01_031105,CC(C)(C)c1ccc(nc1)C(N)Nc2ccc(cc2)C3CCCNC3 -MOL_01_031106,c1cnccc1C(CN)N2CCN(CC2)C(N)CCNC(c3ccccc3)c4ccccc4 -MOL_01_031107,c1ncnn1CC(N)(O)c2ccc(cc2Cl)Oc3ccc(F)cc3 -MOL_01_031108,CCc1nc(NC)nc(n1)Oc2ccccc2C(=O)OC -MOL_01_031109,FC(Cl)C(F)(F)Cc1cc(F)c(cc1)NC(=N)NC(=N)c2c(F)cccc2F -MOL_01_031110,CC(C)(C)c1cccc(c1)OC2CCN(CC2)C(N)c3ccnc(N)c3 -MOL_01_031111,C1CCCC=C1CCN(C(=CCCC2)C23C(=N)NCC)C(=N)C(C3)CC(=N)NCCC(C)C -MOL_01_031112,CCCc(o1)nc(c12)C(=N)CC(C2)CC(C)CCC -MOL_01_031113,c1cnn(c12)c(N(CC)CC)nc(n2)CC -MOL_01_031114,CC1CCN(CC1)C(O)CCNCc(c2)ccc(c23)n(C)c(c3)O -MOL_01_031115,Fc1ccc(cc1)NC(=O)CCC(=O)c2ccc(cc2)CN3CCCC3=O -MOL_01_031116,N=C1CCCN1CCC2CCN(CC2)C3CC(=N)N(C3=N)c4ccc(F)cc4 -MOL_01_031117,c1cccc(c12)cc(C)c(c2)C(=O)CCC(=O)N3CCC(N)CC3 -MOL_01_031118,CCCCc1nnc(CCC(=N)CN)n1Cc2ccc(cc2)-c3ccccc3C(C)=N -MOL_01_031119,NCc1ccc(cc1)C(CN)(C=C2)OOC23CCCCC3 -MOL_01_031120,CNCC(CNC)Cc(c1)ccc(c12)C(C(=O)C)CNN2 -MOL_01_031121,C1CCCCC1Cc2nc(C(N)(N)N)c(O)c(c2)CC3CCCCC3 -MOL_01_031122,COc1ccc(C)c(c1)CC(N)CCCCCCC(N)c2ccc(N)cc2 -MOL_01_031123,c1cncc(c12)cccc2CC(=N)CCc3ccc(C(N)(N)N)cc3 -MOL_01_031124,CCc1ccc(cc1NC)C(=O)CCC(=O)c2ccc(cc2)NC(=O)C -MOL_01_031125,COc1ccc(Cl)cc1NC(O)CN(C)C(O)Cn2cnnn2 -MOL_01_031126,CCC(O)c1ccc(cc1)-n(c2O)cc(c23)cccc3 -MOL_01_031127,Cn1ncc(Cl)c1C(O)N2CCN(CC2)c3cccc(Cl)c3 -MOL_01_031128,Cc1ccc(cc1CN)C(=O)CC2CCCN2C -MOL_01_031129,Cc1ccc(cc1)CCC(=N)Cn2ccn(c(=N)c2=N)-c3cc(C)cc(C)c3 -MOL_01_031130,NCc1ccccc1C(N)Nc2ccc(n23)C=CC3 -MOL_01_031131,N=C1NCCCCC1NC(=N)C(C2)(Cc(c23)cccc3)C4CCCCC4 -MOL_01_031132,c1ccccc1CCC(N)CCNN2CCc(c23)cccc3 -MOL_01_031133,CCCn1c(O)nnc1CCC(=O)Nc2ccc(cc2)CN3CCOCC3 -MOL_01_031134,CCCN(C)C(N)C1CCN(CC1)Cc2cccc(c2)NC(N)c3cncc(C)c3 -MOL_01_031135,NOc1c(F)cc(cc1)CN(C)CC(=O)Nc2cccc(c2)CC3CCCC3 -MOL_01_031136,NCc1ccc(cc1CN)C(=O)C2CCC=C2CCc3cccnc3 -MOL_01_031137,CCc1ccc(CC)c(c1)N2CC(N)C2O -MOL_01_031138,C1CCCC1c2nnc(n2CC)CCC(=O)NCc3ccco3 -MOL_01_031139,CCC=C=CCC(N)Nc(c1)ccc(c12)c3c(C2N)cc(cc3)NC(N)CC=C=CCC -MOL_01_031140,c1cccc(c12)c(nc(n2)CC(N)N)CC3CCCC3 -MOL_01_031141,NCc1ccccc1CC(O)C(O)Nc(n2)cnc(c23)cccc3 -MOL_01_031142,CCc1ccccc1CCC(=O)NCC2CCCN(C2)Cc3cn(CC)nc3C -MOL_01_031143,NC(=O)Cc(c1)ccc(c12)NNCC2Cc3ccc(F)cc3 -MOL_01_031144,FC(F)(F)c1ccccc1CNC(=O)Cn2cc(nn2)COc3ccc(Cl)c(Cl)c3 -MOL_01_031145,Cc1cccc(C)c1NC(N)C(N)NCCCc2ccc(Cl)cc2 -MOL_01_031146,NOc1ccc(cc1)NC(N)CCCC(N)N2CCN(CC2)c3cccc(C(F)(F)F)c3 -MOL_01_031147,C1CNCCC1C(=N)NC(Cc2ccccc2)C(=N)Nc3ccc(F)cc3 -MOL_01_031148,CCCN(C)C(N)Cc(c1)ccc(c12)CCC2N(C)CCN -MOL_01_031149,Cn1[nH][nH][nH]c(c2)c1c(c(c23)cccc3)CCc4ccccc4 -MOL_01_031150,Cc1cc(O)nc(n1)CCC(N)C2CCCc(c23)cccc3 -MOL_01_031151,Fc1cc(ccc1)/C=C/C(=O)Nc2cc(ccc2Cl)CN3CCOCC3 -MOL_01_031152,CCc1ccc(cc1)NC(N)CCC(N)c(n2)ccc(c23)cccc3 -MOL_01_031153,c1ccnc(c12)cc(nc2C)C3CCC(CC3)C(=O)CCN -MOL_01_031154,NCCC(=O)c1cc(N)c(cc1C)NC2CCCCC2 -MOL_01_031155,N=C(N)c(cc1)cc(c12)CCC2(CCCN(C)C)c3ccc(F)cc3 -MOL_01_031156,CC(=O)Cc1nc(C(F)(F)F)c(F)c(c1F)CC(=O)C -MOL_01_031157,CNC(O)c1nccnc1NCC(O)N2CCC(CC2)Oc3ccccc3 -MOL_01_031158,Cc1ccccc1-c2cc(C(C)N)cc(c23)cc(N)cc3 -MOL_01_031159,CC(C)(C)C(=O)NC(=O)c1ccc(C)c(c1)C(=O)NC2=NC(C)C(C)N2 -MOL_01_031160,CCc1cccc(n1)NC(=O)c2cc(Cl)cc(c2)Cc3cncnc3 -MOL_01_031161,Fc1cccc(F)c1Cc2cc(N)nc(n2)CCCc3ccccc3 -MOL_01_031162,CCCc1ncccc1CNC(=O)Nc2ccc(CN)c(c2)CN -MOL_01_031163,N=C(N)CCCNC(=N)C(c1ccccc1)c2ccccc2 -MOL_01_031164,CC(=O)Nc1cccc(c1)C(=O)CCC(=O)c2ccc(cc2)CN3CCCCC3 -MOL_01_031165,c1cccc(c12)NNCC2C(O)CCc3ccccc3CF -MOL_01_031166,CCC(O)C1=CNC=C(C(O)CC)C1c2ccc(Cl)c(c2)NC -MOL_01_031167,CC(=O)CN(C(=O)CN)Cc1cccc(c1)CCc2ccc(cc2)-c3cc(F)c(F)cc3CN -MOL_01_031168,CCC(=O)Cc1ccc(cc1)CCC(=O)Nc2ccncc2N -MOL_01_031169,Nc1nnc(C2CC2)n1C(N)c3ccc(F)cc3 -MOL_01_031170,c1ccccc1C(=N)CCc(n2CN)nc(c23)cccc3 -MOL_01_031171,CNc1nc(C)ccc1CCC(O)N(C(C)(C)C)Cc2ccccc2 -MOL_01_031172,CC1CCc(c12)cc(cc2)Cc3ccc(cn3)C(=O)CN -MOL_01_031173,CCc1c(C)c(C)c(c(C)c1C)Oc2c(N)c(C)c(c(C)c2N)CC(N)C(N)O -MOL_01_031174,c1ccccc1CC2C(=O)NC(=O)C(C2=O)CNc3ccccc3 -MOL_01_031175,NCCC(=O)N1CCN=C1CCc2ccc(Cl)c(Cl)c2 -MOL_01_031176,NCc1cccc(c1)CNC(N)Nc2ccc(cc2)-c3ccnc(N)c3 -MOL_01_031177,NC1CCC(CC1)C(C(=N)N)NCc2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_031178,Cc1c(C(N)O)ncc(c1O)C(O)NCc2ccc(F)cc2 -MOL_01_031179,CCc1ccccc1CNC(N)c(n2)ccc(c23)c(C)ncc3 -MOL_01_031180,Fc1ccc(cc1)C(NCN)CCc2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_031181,CCC(N)Cc(c1)ccc(c12)c3c(C2N)cc(cc3)CC(N)CC -MOL_01_031182,c1ccccc1CC(N)NCCCCCCn2ncc(c23)cccc3 -MOL_01_031183,c1ccccc1C(=N)NC2C(C(=N)N2CC)NC(=N)Cc3ccccc3 -MOL_01_031184,COc1ccc(cc1)Cc2nnc(o2)CCC(=O)N(C)CC(=O)Nc3ccc(C)cc3 -MOL_01_031185,CC(C)(C)c1cc(cc(c1)ON)Nc2ncccc2CN -MOL_01_031186,C1CCN1CNC(=N)c2cc(Cl)c(cc2F)NCC(CC3)CCC34CCC4 -MOL_01_031187,COc1c(OC)cc(cc1OC)C(OC)CCc2c(C)nc(C)nc2C -MOL_01_031188,CC(C)c1ccc(cc1)OCC(N)Nc2ccccc2C(N)N3CCOCC3 -MOL_01_031189,c1ccccc1C(NC)c2cnn(c2N)-c3ccccc3 -MOL_01_031190,Cc1cc(Cl)ccc1CCC(O)Nc2cccnc2 -MOL_01_031191,c1ccccc1-c2cc(CO)c(nn2)CCCC3CCOCC3 -MOL_01_031192,CC(=O)C(C(=O)N=1)=CC(C12)=C(C)C(=C2)C(=O)C3CCCCC3 -MOL_01_031193,NCc1ccc(cc1)CCc2ccc(N)n2-c3ccccc3CN -MOL_01_031194,CCc1ccc(cc1CC)CC(N)Nc2cnn(c2)Cc3ccccc3 -MOL_01_031195,NCCN(C)CCCC1(c2ccc(F)cc2)CCc(c13)cc(cc3)CN -MOL_01_031196,CC(C)CNC(=N)c1ccc(cc1)C(=C2)c(cccc3)c3CC24CCNCC4 -MOL_01_031197,c1cnccc1N2CCN(C2=N)CCCCCNc3ccc(cc3)-c4ccc(Cl)cc4 -MOL_01_031198,CC(C)NCc1cc(ccc1CN)-c2cccc(c2)NC(N)c3cccc(Cl)c3 -MOL_01_031199,Cc1ccc(CN)cc1CNC2CCN(C2)Cc3ccc(cc3)-c4ccccc4 -MOL_01_031200,CCc(c1)ccc(c12)cccc2CCNC(O)C3CN(C3)C(O)c4cc(NC)cc(c4)NC -MOL_01_031201,Cc1nn(C)c(C)c1NCc2ccc(cc2)N3CCCC3=O -MOL_01_031202,Cc1ccccc1C2=NCC(N)C(C)c(c23)ccc(c3)N -MOL_01_031203,CCc1ccc(cc1)C(O)NCN(O)CCc(n2)nc(C)c(c23)cccc3 -MOL_01_031204,CCc1cnc(C)n1CCOC(O)c2ccccc2OCc3cc(Cl)ccc3Cl -MOL_01_031205,CC(C)(C)NC(N)N1CC(C1)CC(c2ccc(Cl)cc2)c3cccnc3Cl -MOL_01_031206,Fc1ccc(cc1)C(=N)NCCCCN2CCCN(CC2)c3ccccc3CN -MOL_01_031207,CCc1ccc(cc1)C(CC)NC(O)c2cnc(N(C)C)nc2C -MOL_01_031208,CCCC(N)c1ccccc1NC(N)c2c(F)c(F)c(F)c(F)c2F -MOL_01_031209,CCCC(=O)CCCNC(=O)Nc1cc(CN)c(Cl)cc1CN -MOL_01_031210,Cn1nc(c(Cl)c1N)C(O)NC(C23)C4CC(C2)CC(C3)C4 -MOL_01_031211,N1NNc(c12)cc(NCC)c(c2)C(C)(C)c3ccccc3 -MOL_01_031212,CCC(CC)Nc1ncc(c(n1)N)Cc2cc(CN)c(CN)cc2C(C)C -MOL_01_031213,CCNC(=N)C(N)(C(=N)NCC)c1cc(C(C)(C)C)c(N)c(c1)C(C)(C)C -MOL_01_031214,Nc1cccc(c1)NC2=C(Cl)C(N)N(C2N)Cc3ccccc3 -MOL_01_031215,c1ccccc1ONC(=O)NC2CCCN(C2)Cc3ccccc3F -MOL_01_031216,CCc1ccc(c(N)c1)C(C)c2nc(CC)cc(n2)CC -MOL_01_031217,CCOc1ccc(OCC)c(c1)NC(O)Nc2cnc(cn2)CN -MOL_01_031218,Cc1cc(CN)ccc1NC(O)CCc2ccnc(n2)Nc3ccc(CN)cc3 -MOL_01_031219,Cc1cccc(c1)CC(C)C(N)Nc2cc(C(C)(C)C)ccc2N3CNCNC3 -MOL_01_031220,c1ccccc1Oc2cc(ccc2NC(C)(O)O)NC(O)Cn3cc(nn3)COc4ccccc4 -MOL_01_031221,N=C(N)c1ccc(cc1)N2CCN(C2=N)Cc3ccc(C(F)(F)F)cc3 -MOL_01_031222,C1CNCC1CN(CC(=C)N)C(=C)CNCCC(c2ccccc2)c3ccccc3 -MOL_01_031223,c1ccccc1-c2ccc(cc2)C(=N)C3CCCN(C3)Cc4cnn(c4)C(N)N -MOL_01_031224,CC(=O)NC(C)Cc1ccc(cc1)CCc2ccnc(n2)N3CCCC(F)C3 -MOL_01_031225,Cc1ccc(CN)c(c1)NC(N)c2cc(ccc2F)CNCCC3=CCCCC3 -MOL_01_031226,NOc1ccc(cc1)-c(nc2C)nc(c23)c4c(cc3)cccc4 -MOL_01_031227,NCc1ccc(c(c1)CN)CCC(N)N(C2)CCc(c23)cccc3 -MOL_01_031228,CCCCN(CC1)CCC1(C(N)NCC2(C)CCC2)CNC(N)c3ccc(Cl)cc3Cl -MOL_01_031229,Clc1ccc(cc1)C(=O)NC2=NCCC2 -MOL_01_031230,CNC(=N)C(NC)c1cccc(c1)CNc2cc(C)ccc2Cl -MOL_01_031231,NCc1ccc(cc1CN)NC(=O)CCC(=O)CNCc2ccc(F)c(F)c2F -MOL_01_031232,c1cccc(c12)C(=N)C(C2=N)(c3cc(C)c(N)cc3)c4ccc(N)c(C)c4 -MOL_01_031233,Cc1ccc(cc1C)CCC(N=2)=NC(C23)=NC(N)=NC3=O -MOL_01_031234,CCCC(N)c(c(N)c1)cc(c12)cc(cc2)-c3ccc(C)cc3 -MOL_01_031235,C1OOCOC1CC(N)NC2CCC(CC2)CCN3CCC(CC3)c4cccc(c45)COC5 -MOL_01_031236,CCc1cc(NC)ccc1NC(=O)CN(CC)c2ccccc2 -MOL_01_031237,CCOC(=O)C1CCN(CC1)CC(O)COc2ccc(cc2NC)CN3CCCC3 -MOL_01_031238,c1ccccc1CC(=N)NCC(=N)N2CCN(CC2)c3ccccc3F -MOL_01_031239,C1CCCC1NC(=O)C(C)Cc2nncn2-c3cccc(c3)ON -MOL_01_031240,Nc1ncc(cn1)-c2cncc(c2)CCc3ccc(Cl)cc3Cl -MOL_01_031241,COC(C(C)C)NCc1ccnc(n1)-c2ccc(C(C)(C)C)nc2 -MOL_01_031242,Cc1cccc(c1)NC2=NC(=O)C(C2)CC(=O)Nc3cccc(C)c3C -MOL_01_031243,c1cccc(c12)ccc(c2C(C)=N)OC(=N)N(C)C -MOL_01_031244,CC(=N)NC(C)c1ccc(cc1)CN(C2)CCc(c23)c(CN)c(cc3)CCC(C4)CC4(F)F -MOL_01_031245,NC(=O)CC1CCN(CC1)C(=O)NCCCc2ccccc2C(N)N -MOL_01_031246,Cc1cc(CN)cc(C)c1Cc2ccc(NC)c(c2)NC3CCN(CC3)Cc4ccc(C(=O)C)cc4 -MOL_01_031247,ONC1Nc(cccc2)c2Cn(c13)ccc3 -MOL_01_031248,CNc(n1)nc(n12)CC(C2)(C)CCc3ccc(cc3)CC(C)(C)C -MOL_01_031249,C1CC1C(=N)N2CCC(CC2)N(C(=N)C3CC3)C(c4ccc(CN)cc4)c5cccnc5 -MOL_01_031250,c1cccnc1C(O)NC2(CCCCC2)C(O)NC3CCCCC3 -MOL_01_031251,Cc1ccccc1CCc2nnc(CCC(=O)O)n2-c3cccc(Cl)c3 -MOL_01_031252,CC(=O)c1ccccc1-c2cnc(nc2)CCC(=O)Cc3ccccc3 -MOL_01_031253,CC(=O)c1cccc(C)c1NC(=O)Nc2cccc(C(F)(F)F)c2 -MOL_01_031254,CC(O)c1ccccc1C(O)N2CCN(CC2)c3ncccn3 -MOL_01_031255,Cc1cc(C)nc(n1)CC(C(=N)CC2)C2(c3ccccc3)c4ccccc4 -MOL_01_031256,Cc(c1)cc(C)c(c12)nc(N)c(c2)CNCCCN -MOL_01_031257,COc1c(OC)cc(cc1OC)CC(=O)c2cc(Cl)nnc2Cl -MOL_01_031258,Cc1ccc(nc1)NC(O)CCc2ccc(Cl)cc2Cl -MOL_01_031259,NCc1ccccc1CNC(N)CN2Cc3cccc(c3c24)ccc4 -MOL_01_031260,NCc1ccc(Cl)cc1NCC(=O)NCc2cccnc2CN -MOL_01_031261,CC(C)(C)NC(O)c(c1)ccc(c12)c(O)c3c(n2)cccc3 -MOL_01_031262,c1ccccc1C2CC(=N)CC(C)=C2C(=N)CCc3ccccc3C -MOL_01_031263,CC(C)(C)OC(=N)NC(C(=N)NCCN)Cc1ccccc1-c2ccccc2 -MOL_01_031264,Cc1ccc(cc1)Cc2nnc(nc2C)CCC(=O)Nc3ccccc3Cl -MOL_01_031265,c1cccc(c12)C(=CC(N)C2N)CCCCC3CCCCC3 -MOL_01_031266,Cc1ccc(C)c(c1)CC(N)C2CCN(CC2)c3cnc(CN)nc3 -MOL_01_031267,Cc(c1)cc(C)c(c12)C(=O)CC(N)C\C=C\CCCCC(=O)C2 -MOL_01_031268,CN(C)C(C1)CCc(c12)cc(cc2)-c3c(N)cccc3N -MOL_01_031269,C1COCCN1C(N)CN(C)Cc2c(Cl)cccc2NC(N)c3ccccc3 -MOL_01_031270,CCc1c(CC)cc(cc1CC)CC(C2=O)C(=O)c(c23)nccn3 -MOL_01_031271,Cc1ccc(cc1)CCC(N)Nc2ccccc2C(N)N3CCCCC3 -MOL_01_031272,C12CCC(C1)CC2C(=N)NCCCCN3CCN(CC3)c4ccccc4CN -MOL_01_031273,Cc1ccc(cc1)NC(O)CN(C)C(O)Cn2nnc(n2)-c3ccccc3 -MOL_01_031274,c1cccc(c12)CC(C(=N)N)C(C2)C(=N)Cc3ccc(N)cn3 -MOL_01_031275,NCc1ccccc1N2CCN(CC2)C(=N)Nc3ccccc3Cc4ccccc4 -MOL_01_031276,CCC(=O)N1CCC(CC1)c2cncc(n2)Cc3cccnc3 -MOL_01_031277,CC(C)(C)C(=O)Oc1cc(N)n(n1)Cc2ccc(F)cc2 -MOL_01_031278,Cc1cccc(c1)-c(c2)ccc(c23)c(c(C)cc3)C(=O)Nc4ncccn4 -MOL_01_031279,NCc1ccc(cc1)C(Cl)N(C2)CCc(c23)cc(CN)c(c3)CC4CCCC4 -MOL_01_031280,c1cccc(c12)cc(O)n2CC(O)NCc3ccccc3Cl -MOL_01_031281,CCc(c1)ccc(c12)ncc(n2)Cc3cccc(c3)CCN -MOL_01_031282,CC(O)NCCC(O)Nc1cc(CN2CCCCC2)ccc1Cc3ccccc3 -MOL_01_031283,NCCCCCc1cccc(c1)NC(=O)N2CNNC2c3ccncc3 -MOL_01_031284,CCN1CCN(CC1)Cc2cc(c(C)cc2Cl)CCC(N)NC3CCCCC3 -MOL_01_031285,CC(C)CN1CCN(C(C)C1=O)Cc2cc(CN)c(CN)cc2F -MOL_01_031286,NCc1ccc(cc1)C2=C(C(=N)C=C2)c3cc(CN)c(CN)c(c3)CN -MOL_01_031287,OCC(N)C(=C1)C(C)=C(C1=2)C=C(N2)N3CCCC3 -MOL_01_031288,NC(O)c1ccccc1C(N)Cc2ccc(cc2)-n3ccc(n3)C(F)(F)F -MOL_01_031289,c1ccncc1C(C)NCc2ccc(cc2)CCc3nccn3C -MOL_01_031290,Nc1nc(ccc1)NC(=N)c2cc(ccn2)-c3cccc(c3)CN -MOL_01_031291,Cc1cc(C)c(c(n1)N)CCC(N)CCC(O)c2ccccc2F -MOL_01_031292,Cc1ccccc1CCCC(=O)CCC(=O)NC(C)c2ccccc2 -MOL_01_031293,CCC(N)Cc(n1)nc(O)c(c12)CCCC2 -MOL_01_031294,CCc1ccc(cc1)-c2ccc(cc2)C(C(F)(F)F)NC(CC(F)(C)C)C(=N)NCCN -MOL_01_031295,NCc1ccc(cc1CN)C2=CCC(N23)=NCC3 -MOL_01_031296,c1ccccc1CC(c2n(C)c(nn2)CC)NCc3ccc(Cl)cc3 -MOL_01_031297,C1CC1NC(=N)c2c(F)cc(C)c(c2)-c3ccc(cc3)C(=N)NCC4CC4 -MOL_01_031298,CN(C)c1cccc(c1)C(N)CCC(N)Nc2ccccc2-c3ccccc3 -MOL_01_031299,c1ccccc1CN(Cc2ccccc2)C(N)c3cccnc3NCc4ccncc4 -MOL_01_031300,CC(=O)c1cccc(c1)CC2C(=O)C=C(C2=O)Cc3ccccc3 -MOL_01_031301,CC(=N)NCCc1ccc(cc1)CCc2ccc(nc2)Cc3ccccc3 -MOL_01_031302,c1ccccc1CNC(=N)CN2CCCN(C2=N)Cc3ccc(F)cc3Cl -MOL_01_031303,NCc1ccc(cc1CN)CCN(C(N)CC2)C(=C23)CCCC3N -MOL_01_031304,NCc(c1)c(C)cc(c12)c(ccc2)CC3NC3c4ccccc4 -MOL_01_031305,C1C(C2)CC(C3)CC1CC23NC(=O)Nc4ccc(cc4)CNc5ccc(Cl)nn5 -MOL_01_031306,CC(N)c1ccccc1NC(C(N)N)c2c(Cl)cccc2Cl -MOL_01_031307,Fc1ccc(cc1)CC2(CC)CCCC(C2)C(=N)c3cc(CN)nn3C -MOL_01_031308,Cc1ccc(cc1)C(=O)/C=C/Nc2ccc(cc2)CNc3cc(C)nc(n3)C -MOL_01_031309,Cc1cccc(c1C)NC(N)CNC(N)CCc2ccc(cc2)-c3ccc(CN)cc3 -MOL_01_031310,c1cccc(c12)nc(C(O)CC)c(n2)Cc3ccccc3 -MOL_01_031311,NC(N)NC(=N)N(C1)CCc(c12)ccc(c2)CNCCN3CCCCC3 -MOL_01_031312,c1cccc(c12)c(nnc2C)CNC(=O)CCc3ccc(C(N)N)cc3 -MOL_01_031313,c1ccccc1CNC(=O)C(C)CC(=O)c2cccc(c2)-n3cnnn3 -MOL_01_031314,C1CCCCC1NC(=N)C(N2CCN(C)CC2)CC(=N)c3cccc(c34)CCCC4 -MOL_01_031315,Cc1ccc(cc1)Cc2nnc(nc2O)CCC(=O)Nc3ccccc3Cl -MOL_01_031316,c1ccccc1N(C)C(=N)CCc2nnc(N)n2Cc3ccccc3 -MOL_01_031317,CCc1ccc(C)cc1Cn2nc(C(=O)N)ccc2=O -MOL_01_031318,CC(C)(C)c1cc(N)nc(n1)CCC(N)c2ccc(CN)c(Cl)c2 -MOL_01_031319,OCCOC(C(=O)C)n1ccc(C)nc1=O -MOL_01_031320,Cc1cc(C)cc(c1)CC(=N)CCC(=N)Nc2ccccc2 -MOL_01_031321,CNNNCc1c(NNC)cc(c(c12)cccc2)C3=NCCC3 -MOL_01_031322,c1cccc(c12)CN(C2N)CC(N)NCCCCc3cccc(Cl)c3 -MOL_01_031323,CC(=N)NC(C)Cc1ccc(cc1)CCc2ccnc(n2)N(C)c3ccccc3 -MOL_01_031324,Clc1ccc(cc1)CC2(C(=O)CCC)CCN(CC2)C(=O)CCc3cccnc3 -MOL_01_031325,Cc1cnc(nc1)C2CC(C2)Oc3ccc(cc3)C(C)CC(C)N -MOL_01_031326,Cc1cccc(c1)C(N)N(CC2)CCC23CCCN(C3)c4ncccn4 -MOL_01_031327,FC(F)(F)c1cc(ccc1)NC(N)COc2ccc(cc2)C(N)NCCN3CCOCC3 -MOL_01_031328,COc1ccc(cc1)CN(C)C(=O)n2cnc(n2)CC(CC34)C(C3)CC4 -MOL_01_031329,c1ccccc1CCCC(N)N(CC)CC(N)Nc2cc(Cl)ccc2C -MOL_01_031330,Cc1cccc(C(C)(C)C)c1C2CC(=O)NC2=O -MOL_01_031331,Nc1ccccc1C(C)C(O)C(=CC2)CCC23CCCC3 -MOL_01_031332,Cc1ccc(cc1)C(=O)CCc2cc(C)nc(n23)nnc3 -MOL_01_031333,Nc1cc(Cl)nc(n1)CCC2=NCCc(c23)cccc3 -MOL_01_031334,CCc1ccccc1NC(N)CN2C=CN(C(N)=C2N)c3cc(C)cc(C)c3 -MOL_01_031335,CCC(=O)C1CCC(CC1)c2ccc(cc2)NC(=O)COc3ccccc3NF -MOL_01_031336,C1CCC1N2CCN(CCC2)C(N)c3ccc(nc3)Cc4ccc(Cl)c(Cl)c4 -MOL_01_031337,CCc1ccc(CC)c(c1)C2CC(=O)NC2=O -MOL_01_031338,NC(C1)CN=C1N(c(cc2N)ccc2)C(=N)Nc3ccccc3 -MOL_01_031339,CC(C)C(N)N1CCN(CC1)c2ccccc2NC(N)c3cccc(c34)cccc4 -MOL_01_031340,CCN(CC)C(C)CCC(N)Nc1c(C)cccc1C -MOL_01_031341,CCc1ccc(c(c1)CC)-c2c(C)c(CN)c(N)c(CN)c2CC -MOL_01_031342,C1COCCN1C(=O)CCc2n(CCOC)c(nn2)COc3cccc(c3)OC -MOL_01_031343,CCC(N)(N)CCC(N)Cc1cccc(c1)-c2nccn2C -MOL_01_031344,Clc1ccc(cc1)C(=C)NC(C(=C)NCCN)Cc2cccc(C)c2 -MOL_01_031345,NCc1ccc(cc1CN)C(CC)(C(N)N)CCCCC(c2ccccc2)c3ccccc3 -MOL_01_031346,Oc(n1)c(C)nn(c12)c(N)cc2 -MOL_01_031347,COc1cccc(c1)CC(=O)c2ccc(c(CBr)c2)-n3cccn3 -MOL_01_031348,CC(O)c1ccccc1CN2CCCC(C2)CCc3ccncn3 -MOL_01_031349,CN1CCN(CC1)CCCN(Cc2ccccc2)C(N)C(N)Cc3ccc(Cl)cc3 -MOL_01_031350,Cc1ccc(Cl)cc1CN2CCN(CC2)c3cccc(N)c3N -MOL_01_031351,c1ccccc1N2C(=C)N(C(N)=CC2=O)c3ccccc3 -MOL_01_031352,NCc1ccc(cc1)C(N)n2ccnc2-c3ccccc3 -MOL_01_031353,Cc1ccc(cc1)Cn2cc(c(n2)N)-c3ccccc3CN -MOL_01_031354,Nc1ccnc(c1)NCc2ccc(CN)cc2-c(c3)ccc(c34)CCNCC4 -MOL_01_031355,FC(F)(F)c1cc(ccc1)CC(N)CCCC(N)c2ccccc2Cl -MOL_01_031356,NNNCNCNC(=N)c1cccc(c12)C(=N)c3c2cccc3 -MOL_01_031357,Nc1ccc(O)nc1C(C2)CCc(c23)cccc3 -MOL_01_031358,CCCC(=N)N1CCC(CC1)Cc2ccc(cc2)C(=N)NCc3ccc(cn3)CC -MOL_01_031359,Cc1cc(C)cc(c1)NC(=N)Cn(c2=N)nnc(c23)cccc3 -MOL_01_031360,c1cccc(c12)cc(N)c(c2)CCC(N)Nc(c3)ccc(c34)cccc4 -MOL_01_031361,FC(F)(F)c1cc(ccc1)NC(O)COc2ccc(cc2)C(O)NCCN3CCOCC3 -MOL_01_031362,N=c1cc(N)c(ncc2)c3c2c(c4n13)cccc4 -MOL_01_031363,Nc1ccc(F)cc1CN2CCCCC(=N2)c3ccc(C(F)(F)F)cc3 -MOL_01_031364,Cn1cc(cn1)-n2c(N)cc(c23)ccc(F)c3 -MOL_01_031365,Cc1cccc(c1C)NC(=N)CNC(=N)COc2ccc(cc2)C(=N)c3ccc(F)cc3 -MOL_01_031366,CC(C)(C)CCNCC(=O)N1CCCC1CN -MOL_01_031367,c1ccoc1CNC(=C)CN(c2c(C)cccc2C)C(=C)CNCc3ccc(F)cc3 -MOL_01_031368,CCc1ccccc1NC(=O)NCCNCC(C)CCc2ccccc2CN -MOL_01_031369,CCc1ccc(C(C)C)cc1C2CC(=O)NC2=O -MOL_01_031370,CCc1ccc(cc1)C(=O)CCC(=O)CNC(=O)CNC(=O)Cc2ccccc2 -MOL_01_031371,CCC(C(N)N)NCc1nc(ccc1F)NNCCC2CCCCC2 -MOL_01_031372,CCCNC1=NC(=O)C(C1)CC(=O)NCCc2ccc(OC)c(c2)OC -MOL_01_031373,Clc1ccc(cc1)C(=O)NC(=C)Nc2ccc(cc2)CN3CCCCC3 -MOL_01_031374,c1cccc(c12)cc(O)n2CCC(O)Cc3cccc(Cl)c3 -MOL_01_031375,CCCOc1ccc(c(c1)CN)CCc2ccc(cc2)CC(C)NC(C)N -MOL_01_031376,CN(C)CCCNC(N)c1cccc(c12)C(N)c3c2cccc3 -MOL_01_031377,CN(C)C(=N)c1ccc(cc1)C(=N)NCCn2c(N)cc(c23)cccc3 -MOL_01_031378,c1cccnc1C(N)NCC(O)c2cccc(c2)CCc(n3)ccc(c34)cccc4 -MOL_01_031379,CC(=O)C(N)Cc1cc(Cl)c(C)c(c1)-c2cccc(C)c2 -MOL_01_031380,CC(C)(C)C(C)NC(N)c1ccc(nc1C)CCc2cccc(F)c2 -MOL_01_031381,CN1CCCCC(C1N)c2ccc(cn2)CCc3ccccc3 -MOL_01_031382,Cc1cc(N)ccc1CNCc2cc(CC(C)C)n(n2)-c3ccccc3 -MOL_01_031383,CC1CC(=O)C1NC(=O)CC(C)(C)CCCCc2ccccc2 -MOL_01_031384,CC(C)(C)c(c1)cc(n12)c(ncc2)NNc3ccccc3 -MOL_01_031385,c1cccc(c12)n(C)c3c(c2=N)ccc(c3)NNC4(C)CCCCC4 -MOL_01_031386,Cc1cccc(n12)nc(c2)CCCc3nnnn3C(C)C -MOL_01_031387,Cc1ccc(c(C)c1)NC(=N)CCc2nccn2Cc3ccc(CN)cc3 -MOL_01_031388,NC(=O)C1CCN(CC1)C(=O)NCc(c2)ccc(c23)CCCC3 -MOL_01_031389,NOc1cc(ON)nc(n1)C(O)c2ccccc2NCc3ccccc3 -MOL_01_031390,NCOc1ccc(cc1)CC(=O)Cc2cccc(N)c2 -MOL_01_031391,CC(=O)c1ccc(cc1)NC(=O)NCCNCC(C)CCc2cccc(F)c2CN -MOL_01_031392,CCCC(O)Nc1cccc(c1)C2(C)CCCC(=N2)N -MOL_01_031393,CC(=O)c1cccc(c1)CC(=O)c(n2)cnc(c23)cccc3 -MOL_01_031394,CCc1ccc(cc1)CCC(O)N(C2(O)C(C)C)N=C(C2)C(C)C -MOL_01_031395,c1ccccc1NC(=N)Nc2ccc(cc2F)-c3ccc(cc3)C(=N)C4CCCC4C(=N)N -MOL_01_031396,c1ccccc1CCNC(N)CCC(N)c2nc(Cl)ccc2Cl -MOL_01_031397,CCCCCc1ccc(cc1)-c2ncc(C(=O)C)c(n2)C -MOL_01_031398,CC(=O)c1cccc(c1)NCCCc2ccc(CN)c(C)c2 -MOL_01_031399,Clc1ccc(cc1)CC(N)CCC(N)c2nc(Cl)ccc2Cl -MOL_01_031400,Cc1ccc(Cl)cc1C(N)Nc(c2)cnc(c23)cccc3 -MOL_01_031401,Nc1cc(ccc1)C(=N)NCCCCN2CCN(CC2)c3ccccc3ON -MOL_01_031402,NOc1ccc(cc1)-c2ccc(=N)n(n2)Cc3ccccc3 -MOL_01_031403,Cn1nnnc1CCC(O)N2CCN(CC2)c3ccc(Cl)cc3 -MOL_01_031404,Nc1ccc(cc1N)CCNC(=N)C23CC4CC(C2)CC(C4)(C3)c5ccc(Cl)cc5 -MOL_01_031405,Cn1ccnc1CN(CC2)CCC23CCN(C3O)c4ccccc4 -MOL_01_031406,Cc1cc(CN)cc(C)c1Cc2ccnc(n2)CCC(N)Nc3ccc(Cl)cc3Cl -MOL_01_031407,NCc1ccc(c(c1)CN)C(CN)NC(=O)Cc2ccc(F)c(F)c2 -MOL_01_031408,CCc1ccc(CC)c(c1)CCC(=O)NCC2C(=O)CCc(c23)cccc3 -MOL_01_031409,c1cccc(c12)c(nc(n2)CC)CCC(N)CC(C)C -MOL_01_031410,NCCC1CCCN1Cc2c(C)c(=O)n(cc2)Cc3ccccc3 -MOL_01_031411,Clc1ccccc1CCC(=N)Cn2cccc2C(=N)c3ccccc3 -MOL_01_031412,CN1CCC(CC1)N2CCN(CC2)C3C=CN(C3)Cc4cn(nn4)Cc5ccc(F)cc5 -MOL_01_031413,c1cccc(c12)C(=N)N(C2=N)CCN3CC=C(CC3)c4ccc(Cl)cc4 -MOL_01_031414,OCC(CO)CCc1cc(c(O)cc1O)Cc2cccc(Cl)c2 -MOL_01_031415,CCCNC(O)CCc1ccccc1NC -MOL_01_031416,c1cccnc1Nc2ccc(cc2)Cc3ncccc3-c4cncnc4 -MOL_01_031417,Cc1cc(ccn1)C(=N)Nc2cccc(c2)CN3CCC(CC3)C(=N)NC4CC4 -MOL_01_031418,CNC(=N)c1ccc(cc1)CCCc2c(ccc(CN)c2CN)C(=N)Cc3c(Cl)cncc3Cl -MOL_01_031419,Cc1ncccc1Oc2ccc(cc2CN)CNc3ccc(F)cn3 -MOL_01_031420,NCc1ccccc1CCC2CCCN2C(=O)Cn3ccnc3 -MOL_01_031421,CC(C)CCn(c1=N)cnc(c12)nccc2 -MOL_01_031422,c1cccc2c1N(CC(N23)NNC3)C(=N)Nc4ccc(N)cc4N -MOL_01_031423,c1ccccc1CCCNC(=N)C2CCC(=N)N(C2)Cc3ccc(Cl)cc3 -MOL_01_031424,Cc1ccc(cc1)CCc2nnc(n23)CCC(=N3)c4ccccc4 -MOL_01_031425,c1nncn1CC(C)(c2ccc(Cl)cc2)C(O)c3ccc(Cl)cc3Cl -MOL_01_031426,c1cccc(c12)ccc(c2)CC3(CC(=O)NC3=O)CCCc4ccccc4 -MOL_01_031427,Fc1ccc(cc1)C(N)Nc2ccc(C)c(c2)CN3CCC(CC3)C(N)NC(C)(C)C -MOL_01_031428,CCC(=O)C1CC(=O)C(C1)c2ccc(cc2)OCC(=O)Cc3ccccc3C -MOL_01_031429,NC(=O)C1CCCN(C1)C(=O)CNC(N)(N)c2ccc(Cl)cc2 -MOL_01_031430,C1CCCC=C1CCN(C(C)=C2C(=N)N(C(C)C)C(C)C)C(=N)C(C2)CC(=N)NC3CC3 -MOL_01_031431,CC(=O)Nc1cccc(c1)C(=O)CCC(=O)c(c2)ccc(c23)CCC3 -MOL_01_031432,C1CC1C(N)(N)NCc2ccc(cc2C(F)(F)F)NC(CC34)C(C3)CC4 -MOL_01_031433,CCNC(=N)c1cc(Cl)ccc1NC(=N)C23CC4CC(C2)CC(C4)C3 -MOL_01_031434,c1ccncc1CNC(=O)C(=O)NCCC2CCCCN2Cc3ccc(F)cc3 -MOL_01_031435,CCc1cc(ccc1N)C(=N)CC(CN)CCN -MOL_01_031436,CCCc1ncccc1C(N)Nc2ccccc2Nc3ccccc3 -MOL_01_031437,c1cccc(c12)cc(c(c2O)CO)C3CCCCC3 -MOL_01_031438,Cc1cccc(C)c1C(O)Nc2cc(Cl)ccc2N(O)CN(C)C -MOL_01_031439,c1cccnc1-c2ncc(ON)c(n2)CCc3ccccc3 -MOL_01_031440,CCn1ccnc1CN2CCCN(CC2)C(O)c3ccnc(n3)C -MOL_01_031441,NC(O)c1cc(cnc1Cl)-c2ccncc2 -MOL_01_031442,c1ccccc1CCC(=O)N(CCN)CCCCn2ccnc2 -MOL_01_031443,Cc1ncc(CO)n1CCOC(c2ccccc2)c3ccccc3F -MOL_01_031444,COCCCC(=O)Cc(c1=O)cnc(n12)cc(C)cc2 -MOL_01_031445,Cc1nc(C(=O)CN)nn1-c2cccc(c2)C(C)(C)C -MOL_01_031446,c1cccc(c12)ccc(c2)CN(CC3)C3(C)C(=N)NC4CCN(CC4)Cc5ccccc5 -MOL_01_031447,c1cccc2c1C(c(c23)cccc3)NC(=N)NC(=N)c4ccccc4CN -MOL_01_031448,N=C(N)C(CC1)Cc(c12)ccc(c2)NC(=N)CCCCC3CCCC3 -MOL_01_031449,ClC1(Cl)CC1(C)C(=O)CCC(=O)Nc2cccc(c2)CNC3=NCCCCC3 -MOL_01_031450,CC(N)c1ccc(Cl)cc1NC(N)Cc2cccc(c23)cccc3 -MOL_01_031451,C1=CC(C)=C(C1=2)C(=O)C=C(C2)c3cc(CN)cc(c3)CN -MOL_01_031452,CNC(O)C1CCN(CC1)C(O)c2ccn(n2)-c3ccc(F)cc3 -MOL_01_031453,Cc1cc(F)cc(F)c1C(N)NC(CN2CCCC2)c3ccccc3 -MOL_01_031454,NC(N)Cc1cc(Cl)cc(c1Cl)CCc2cccc(c23)cncc3 -MOL_01_031455,Nc1ccc(cc1)C(N)Nc2ccccc2NC(N)OCC3CCN(CC3)c4ccncc4 -MOL_01_031456,C1NCNC1C(O)Nc2cc(ccn2)-c3ccnc(c3)Nc4ccccc4 -MOL_01_031457,ClCC(=O)NCCc1c(N)nn(C)c1Cc2ccccc2 -MOL_01_031458,CCc1cc(N)c(Cl)cc1C(O)NC2CN(CC)N(C2)CC -MOL_01_031459,CC(O)c1ccc(Cl)cc1NC(O)c(c2)ccc(c23)CCC3 -MOL_01_031460,CCc1ccc(cc1)-c(c2O)cc(C(C)O)c(c23)cccc3 -MOL_01_031461,CC(C)C(C(=O)O)NCc(c1)ccc(c12)c3c(o2)ccc(c3)-n4cncn4 -MOL_01_031462,Cc1ccnc(n1)CCc(n2)cn(c23)c(C)cc(n3)C -MOL_01_031463,Cc1nn(C)cc1C(O)Nc(c2)ccc(c23)CCCC3 -MOL_01_031464,CCc1cccc(C)c1NC(O)Nc(c2)ccc(c23)CCC3O -MOL_01_031465,NCC(=O)c1ccccc1NC(=O)Nc2ccc(Cl)cn2 -MOL_01_031466,c1nccc(c12)CN(C2)C(=O)NCc3ccc(cn3)CN4CCN(CC4)C5COC5 -MOL_01_031467,Oc1ccc(cc1)Oc2c(N)cc(cc2N)CCC(=O)NCC3CCCO3 -MOL_01_031468,Fc1ccccc1C(=N)N2CCCC(C2)N3CCN(CC3)Cc(c4)ccc(c45)CNC5 -MOL_01_031469,CC(C)(C)CCc1cc(CCC(C)(C)C)c(N)cc1N -MOL_01_031470,CCC(CN)CC(=O)c1ccc(cc1)Cc2cccnc2 -MOL_01_031471,Cc1cccc(c1)CN2CCN(CC2)C3CCN(C3)Cc4cn(nn4)Cc5cccc(Cl)c5 -MOL_01_031472,CC(N)N1CCC(CC1)Cc2ccc(cn2)NC(N)N(C3)Cc(c34)cccc4 -MOL_01_031473,NCc1ccc(cc1)C(=N)Nc2ccc(cc2)-c3ccc(ON)c(c3)CN4CCNCC4 -MOL_01_031474,NC(N)(N)CC(=O)CC(C)C(=O)c1cccn1CCc2ccccc2 -MOL_01_031475,C1CNNNC1CC(CC)C(=O)NCCC(=O)c2ccccc2F -MOL_01_031476,CCCC(=O)N1CCNCC1C(O)Nc2ccc(F)cc2 -MOL_01_031477,Cc1cccc(c1)C(=N)N(CCCN)CC2CCCN(C2)C(C3)Cc(c34)cccc4 -MOL_01_031478,NOCCC1CCCC1c2ccnc(n2)-c3ccccc3 -MOL_01_031479,NC1(N)CC(NC)=Nc(c12)ccc(F)c2 -MOL_01_031480,N=C1N=NC=C1c2ccnc(n2)NCCN3CCCCC3 -MOL_01_031481,NCC1CN=C(C1)N(c2ccc(F)c(F)c2)C(N)Nc3ccccc3 -MOL_01_031482,Cc1cc(C)c(c(C)c1)CC(N)C(O)NCCCCc2nc(C)cnc2O -MOL_01_031483,c1ccccc1CC(C(=O)C)(Cc2ccc(C)cn2)CC(=O)c3ccccc3 -MOL_01_031484,Cc1cc(N)c(C)c(N)c1CCCCc2ccccc2 -MOL_01_031485,CCN(CC)C(=N)c1ccc(cc1)-c2ccc(cc2)NCCCNC(C)C -MOL_01_031486,Clc1ccc(cc1)C(=N)N2CCC(CC2)C(=N)NCc3ccccc3CN4CCCC4 -MOL_01_031487,c1cnccc1CC(C)c2ncccc2C(N)Nc3ccc(Cl)cc3 -MOL_01_031488,CCc1ccc(cc1)N(C2(C)C)CCN(C2)C(O)CCn3nccc3C -MOL_01_031489,Cc1ccc(CN)c(c1)Cn2cnc(cc2=N)C3CCC3 -MOL_01_031490,CCc1ccc(cc1)Oc2cc(C(C)(C)C)nc(n2)CCN -MOL_01_031491,Clc1ccccc1CCNC(=N)C2CCC(=N)N(C2)Cc3ccc(Cl)cc3 -MOL_01_031492,N=C(N)NC1CCCN(C1)Cc2ccc(cc2)CCc3ccccn3 -MOL_01_031493,CCN(CC)C(=N)c1ccc(cc1)CNc2ncc(CN)cc2Cl -MOL_01_031494,CCC(C)(N)C(N)Nc1ccc(cc1)Cc2ccc(cc2)-c3ccccc3 -MOL_01_031495,n1nnnc(c12)CCC(C2)C(=C)Cc3nc(CC)c(Cl)nc3CC -MOL_01_031496,FC(F)(F)C(C)(N)c1ccc(cc1)C(N)N(C2CC2)C(CC3)CCC3(CCCN)c4ccccc4 -MOL_01_031497,C1CCCCN1CC(O)N2CCN(CC2)c3nccc(n3)Cc4cc(Cl)cc(Cl)c4 -MOL_01_031498,CCc1ccc(cc1)CNc2ccc(Cl)cc2C(O)N3CCNCC3 -MOL_01_031499,Cc1ccc(cc1)CC(C(C)=N)NC(=N)C2CCC(C(N)N)CC2 -MOL_01_031500,C1CCCCCC1(C(=O)CC)NC(=O)C(N)CC(=O)C -MOL_01_031501,CCc1nnc(n12)ccc(n2)CCC3(O)CCOCC3 -MOL_01_031502,CC(C)(C)C(=O)Cc1ccncc1Cc2ccc(O)cc2 -MOL_01_031503,Cc1ncc(cc1)C(=C)Nc2ccccc2ONC3CCCNO3 -MOL_01_031504,c1ccccc1Cc2nc(CCC)nn2CC(=O)NC(C)CCCCN -MOL_01_031505,CCN(CC)C(N)C1CCN(CC1)Cc2cccc(c2)NC(N)c3ccc(Cl)cc3 -MOL_01_031506,CC(O)c1ccc(cn1)C(O)Nc2ccc(CN)cc2CN -MOL_01_031507,c1ccncc1C(CN)C2CCN(CC2)C(N)C(c3ccccc3)c4ccccc4 -MOL_01_031508,Clc1cc(ccc1)-n2nc(cc2C)CC(N)C3CCOCC3 -MOL_01_031509,Fc1cc(cc(F)c1)CC(C(=N)N2)CC23NCC(CN3)CC4NCNN4 -MOL_01_031510,c1cncn1CCCNC(=O)CN2C(=O)C/C(C2=O)=C\c3ccc(Cl)cc3 -MOL_01_031511,CCN1CCCC1CNC(=N)c2cccc(ON)c2ON -MOL_01_031512,CC(=N)c(c1)ccc(CC2)c1C(c(c23)cccc3)CCCNC(=N)c4ccccc4CN -MOL_01_031513,c1cccc(c12)nc(nc2C)-c3ccccc3CN -MOL_01_031514,CC(=N)c1c(N)c(CCC)c(cc1)NC(c2ccccc2)c3ccc(C(=N)N)cc3 -MOL_01_031515,Cc1ccc(cc1N)-c2cc(-c3ccccc3)cc(c2)C(C)CC(N)N -MOL_01_031516,Cc1ccccc1CC(=O)C(C)CC(=O)c2nc(Cl)ccc2Cl -MOL_01_031517,Cn1nc(CCN)c(Cl)c1C(N)Cc2ccccc2 -MOL_01_031518,NCc1ccc(cc1)-c2ccc(cc2)C(N)NC3CCN(C3)Cc4ccccc4 -MOL_01_031519,CC(N)c1ccccc1NC(N)NC2CCC(CC2)Cc3ccc(F)cc3 -MOL_01_031520,Fc1ccc(cc1F)C(C)NC(=O)NCC2(CN)CNCNC2 -MOL_01_031521,O=C1CCC(=O)C1CCCC(=O)CCC(=O)c2cccc(Cl)c2Cl -MOL_01_031522,FC(F)(F)Cc1ccc(cc1)NC(O)C2CCCN(C2)Cc3cccnc3 -MOL_01_031523,NC(O)CCCCC(C)(C)NC1=C(C(O)=C1O)Nc2ccc(C(F)(F)F)cc2 -MOL_01_031524,O=C1CC(C(=O)N1)Cc2ccc(cc2)OCCNC(=O)Nc3ccc(Cl)c(Cl)c3 -MOL_01_031525,CC(=O)Cc(c1)ccc(c12)c3c([nH]2)cc(cc3)C4C(=O)C=CC4=O -MOL_01_031526,CCCc1ncccc1Cn2cc(nn2)-c3cncnc3 -MOL_01_031527,Cc1ccc(cc1)NC(N)c2nccnc2C(N)NCc3ccc(cc3)-c4ccncc4 -MOL_01_031528,CCCCC(=O)Cc1nc(C)c(O)c(C)c1C -MOL_01_031529,CCCCNc(c(n1)CC)nc(c12)ccc(c2)OC -MOL_01_031530,COc1ccc(cc1OC)C(O)NCC(O)N2CCN(CC2)c3ncccn3 -MOL_01_031531,CCCc1ccccc1CC(=O)C(c2ccccc2)CC(=O)c3cnccn3 -MOL_01_031532,CN(C)CCCOCc(c1F)c(F)c(N)c(c12)c(N)cc(c2)-c3ccc(N)c(F)c3 -MOL_01_031533,c1cccc(c12)cccc2C3NC(=N)N(C3=N)CCCN4C(=N)NC(C4=N)c5cccc(c56)cccc6 -MOL_01_031534,CCC1(CC)CN(CC)C(C(=O)C1)CC(=O)Nc2ccc(C(C)C)cc2 -MOL_01_031535,c1ccccc1CC(O)NCC(O)N2CCN(CC2)c3ccc(F)cc3 -MOL_01_031536,c1cocc1CN(C)Cc2c(C)c(CN)c(C)c(c23)c(N)cc(c3)-c4ccccc4 -MOL_01_031537,Cc1cccnc1NCc2ccc(cc2)CCc3ccc(N)c(c3)C(N)N -MOL_01_031538,Cc1cc(C)nc(n1)NCc2ccc(cc2)NC(=O)COc3ccccc3 -MOL_01_031539,CCCC(=O)N(C12)N(C(=O)CCC)C(C1)C(CCC(=O)C)=C2CCC(=O)C -MOL_01_031540,Cc1ccc(C)c(c1)CC(O)CC2(CN)CCCCC2 -MOL_01_031541,CCc1ccc(cc1)N2CC(CC2=O)C(=O)CCC(=O)NC3CC3 -MOL_01_031542,Clc1cccc(F)c1CC(=O)CCC(=O)NC(=O)Nc2ccccc2F -MOL_01_031543,NOc1ccc(cc1)C(=O)C(CC2)C(CC)c(c23)cccc3 -MOL_01_031544,CC(N)N(CC1)CCc(c12)ccc(c2)C(N)CCCN(C)Cc3ccccc3 -MOL_01_031545,COc1ccc(cc1)CNC(N)C2CCN(CC2)Cc3cccc(c3)NC(N)c4ccc(Cl)cc4 -MOL_01_031546,Cc1ccc(cc1)CNC(=O)c2nc(nc(C)c2C)CCN(C)Cc3ccccc3 -MOL_01_031547,C1CCCC=C1C(O)N(CCC)CC(O)Nc2ccccc2CC -MOL_01_031548,CC1=CC(=O)C(=C1)C(=O)c2ccccc2N -MOL_01_031549,CCc1cccc(c1)-c2cccc(c23)CC(O)CC3O -MOL_01_031550,CCCC(N)CCC(N)Nc1cccc(c1)CCc(n2)ccc(c23)cccc3 -MOL_01_031551,Cc1cccc(c1)NC(=N)Nc2ccc(cc2)CCc(n3)ccc(n34)ncc4 -MOL_01_031552,C1CCCC1C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCCC4 -MOL_01_031553,Cc1cc(O)nc(n1)CCC(=O)Nc2ccccc2C -MOL_01_031554,NCC(O)c1ccccc1C(O)c2ccccc2 -MOL_01_031555,CC(=O)CCc1nnc(n1-c2ccccc2)CCc3cccc(N)c3 -MOL_01_031556,FCc1cc(ccc1)N2NC(N)Cc(c23)ccc4c3cccc4 -MOL_01_031557,NCc1ccc(cc1C(F)(F)F)CC2CCCCC2CN -MOL_01_031558,c1ccccc1CC(NC)NC(=N)C(Cc2ccccc2)NC(=N)c3ccccc3 -MOL_01_031559,Cc1c(O)cccc1CC(CC(=O)C)Cc2cccc(O)c2C -MOL_01_031560,c1cccc(c12)cc(c(c2)CN)C(=C)Nc3ccccc3N4CCN(CC)CC4 -MOL_01_031561,CC(O)C(C1)Cc(c12)cc3c(c2Cl)cc4c(c3O)cccc4 -MOL_01_031562,NCc1cccc(c1)C(N)NCCCCCN2CCN(CC2)c3ccccc3CN -MOL_01_031563,CNc1ccc(F)c(c1)NC(=O)CCc2nnc(C(F)(F)F)n2C -MOL_01_031564,NC(N)C(CC1)CCC12CC(=C)C(N)=C2C(=C)Cc3ccc(cc3)C(=C)CCN -MOL_01_031565,NC(=O)CCN(CC1(C)C)CCC1Cc2cccc(F)c2 -MOL_01_031566,Cc1ccc(cc1)NCc2cc(ccc2CN)C(=O)NCCN3CCCCC3 -MOL_01_031567,Cc1cc(nc(n1)C)C(=N)C2CCCC(C2)C(=N)c3cccc(c34)cccc4 -MOL_01_031568,CCc1cccc(c1)N2CCN(CC2)CCC(=N)Nc3ccc(F)cc3F -MOL_01_031569,c1cccc(c12)nc(N)c(n2)C(=O)CC34CC5CC(C3)CC(C5)C4 -MOL_01_031570,COC(=O)c1cccc(c1)CNc2nccnc2Nc3cccc(c3)OC -MOL_01_031571,CCc1ccc(c(c1)NC)Nc2ccc(cc2)NC(=O)C(C)C -MOL_01_031572,NCN(CN)C(=O)CCc1c(CCN)c(F)c(cc1)CC(=O)CCC(F)(F)F -MOL_01_031573,CCc1ccccc1NC(O)CCC(O)Cn2c(C)ccc2O -MOL_01_031574,CCCC(O)Cc1nc(N)n(n1)C(O)c2ccc(Cl)cc2 -MOL_01_031575,CC(=O)Cc1ccc(c(C)c1)C(=O)CCC(=O)C2CCCCC2 -MOL_01_031576,OC(O)c1nccnc1C(O)C2CCC(CC2)c3ccccc3 -MOL_01_031577,NOc1ccc(cc1)Nc2nc(N)nc(N)c2Cc3ccccc3 -MOL_01_031578,CCCC1CN(CC1NC(C)=N)Cc2ccc(NN)c(c2)NN -MOL_01_031579,NC(=O)C(C)N(C1)CCNc(c12)cc(cc2)Oc3ccc(C(F)(F)F)cc3 -MOL_01_031580,C1CCC1Cc2c(N)c(nc(n2)C3CC3)C4CCCCCC4 -MOL_01_031581,NCc1ccc(c(c1)CN)CCNC(N)c2ccc(cc2)NC(N)N(C3)Cc(c34)cccc4 -MOL_01_031582,CCOC(=O)Oc(c1)c(OC(=O)OCC)cc(c12)ccc(c2)CC3CC(=O)NC3=O -MOL_01_031583,CCc(c1)c(CC)cc(c12)c(C)cc(O)c2CC(C)O -MOL_01_031584,NC(N)c1cccnc1CCc2ccc(cn2)-c3ccccc3 -MOL_01_031585,CC1CCN(CC1)C(N)c2ccc(nc2)CCc3cccc(F)c3 -MOL_01_031586,Cc1ccccc1-n2nnnc2CC3CCOC3=O -MOL_01_031587,CNC(=O)C(CC1)CCC12c3c(C(C2=O)C)c(C)ccc3 -MOL_01_031588,CC(C)C(N)N(C(C)C)Cc(c1)c(C)nc(c12)cccc2 -MOL_01_031589,CC(=N)NC(C)Cc1ccc(cc1)CCc2ccnc(n2)N(CC3)CC34CCCC4 -MOL_01_031590,NCc1ccc(cc1)-c2ccc(cc2)CCC(O)Cn3nnc(c34)cccc4 -MOL_01_031591,NCCCCNC(N)CCC(N)c1ccc(cc1)-c2ccccc2 -MOL_01_031592,Cc1nc(O)c(Cl)c(n1)-c2cccc(N)c2 -MOL_01_031593,CNC(=N)c1ccccc1CN2CCN(CC2)C(=N)CNc3ccccc3C -MOL_01_031594,c1cccc(c12)cccc2CNC(C(=O)C)CCC(=O)N3CCC(CC3)CCCC4CCNCC4 -MOL_01_031595,Clc1ccccc1CCC(N)(CN)CC(N)c2ccccc2C(F)(F)F -MOL_01_031596,Cc1ccnc(n1)N2C(=O)CCC2C34CC5CC(C3)CC(C5)C4 -MOL_01_031597,CCOC(=N)C1=C(N)C(=N)N(C1)Cc2ccco2 -MOL_01_031598,c1ccccc1CN(C)C(N)Cc(c2)ccc(c23)CCC3NCCN -MOL_01_031599,NCc1cccc(c1)CC(=O)Cc2cccn(c2=O)Cc3ccccc3Cl -MOL_01_031600,Cc1ccc(c(n1)O)C(O)NC2CCCN(C)C2 -MOL_01_031601,c1ccccc1-n2c(nnc2C)CCC(=O)NCCN3C(=O)CCC3=O -MOL_01_031602,CN(C)c1c(C)n(nc1C)CCCC(=O)NCc2ccc(CN)c(c2)CN -MOL_01_031603,CCC(N)c1cccc(c1)C(N)N2CCC(CC2)c3ccccc3C(F)(F)F -MOL_01_031604,Cn1cnc(c1)CNCCCc2cccc(c2)C3(CCNC3)Cc4ccccc4 -MOL_01_031605,Cc1ccc(cc1)CC(N)CC2=CC(=NC2N)Cc3cccc(Cl)c3C -MOL_01_031606,COc1ccc(Cl)cc1C2(CC2)Cc3ncc(cn3)C(N)O -MOL_01_031607,Clc1cc(Cl)c(cc1C)CNC2(CC2)C(=N)NC(C(C3)CC(C4)C5)C4CC35C(=N)N -MOL_01_031608,CNc1cnc(C)n1CCOC(O)NC(C(Cl)(Cl)Cl)Nc2ccc(C)cc2 -MOL_01_031609,CNc1ccc(cc1)CCCC(=N)N2CCCC2C(=N)N3CCCC3 -MOL_01_031610,Cc1ccc(cc1Cl)Cc2ncnc(c23)ccc(c3)CN -MOL_01_031611,CCCc1ccccc1NC(N)CN2C=CN(C(N)=C2N)c3ccccc3 -MOL_01_031612,CCc1ccc(CN)cc1C(=O)CCC2NNCC2CNC -MOL_01_031613,c1ccccc1C2=C(c3ccccc3)C(N)C(C2N)CCCc4ccccc4 -MOL_01_031614,CC1(C)N=C(C)N(C(C1)C)CC(=O)NCc(c2)ccc(c23)CCC3 -MOL_01_031615,Cc1ccc(cc1)CCCC(N)N(C)CC(N)Nc2ccccc2C(F)(F)F -MOL_01_031616,CNc1cc(ccc1Cl)C(=O)CCC(=O)c2cnccn2 -MOL_01_031617,Fc1ccc(cc1)C(N)Cc2cc(ON)c(c(c2)ON)-c3ccccc3 -MOL_01_031618,CCc1c(Cl)nc(NC)nc1NCc2ccc(C)cc2 -MOL_01_031619,COc1cc(OC)nc(n1)NC(O)NCc2c(C(O)OC)cnn2C -MOL_01_031620,c1ccccc1CCCCc2n(C)c(nn2)CNC(=O)c3ccccc3F -MOL_01_031621,c1ccccc1Cc2c(N)c(ccc2)C(N)CCc3ccccc3 -MOL_01_031622,CC(C)CC(N1)C(N)N(CCC(C)C)Cc(c12)cccc2 -MOL_01_031623,Nc1cc(ccc1)CC2=C(C)CC(CC2N)c3ccccc3 -MOL_01_031624,Cc1nc(C)c(c(C)c1CN)CCC(=O)NCc2ccc(Cl)cc2 -MOL_01_031625,c1ccccc1-n2nc(nc2C)CC(N)c3ccc(ON)cc3 -MOL_01_031626,Cc1ccc(c(C)c1)NC(=N)CCCC(=N)NCCc2ccccc2 -MOL_01_031627,NCc1ccccc1CCC(N)n(c2N)cc(c23)cccc3 -MOL_01_031628,CC1=C(C)C(CN)N(C1=O)Cc2ccc(CN)cc2 -MOL_01_031629,CCc1ccccc1C(=O)NCC(=O)NCCc2ccc(Cl)cc2 -MOL_01_031630,CCc1nc(CCNC)c(C(=O)C)c(n1)CCc2ccccc2 -MOL_01_031631,c1cccc(c12)CC(=O)C2(C)C3C(=O)CCCC3=O -MOL_01_031632,Nc1ccccc1NC(=O)c2ccc(cc2)CNCCC(=O)c3cccnc3 -MOL_01_031633,CC(=O)NC(C(=O)CF)CC(=O)C(N(C)C)CC(=O)CCc1ccccc1 -MOL_01_031634,c1ccccc1CN(C2=NCC(C2)C)C(=O)Nc3ccccc3 -MOL_01_031635,Cc1cccc(c1)NC(=N)NC(CC(C)C)C(=N)N2CCC(CC2)C(=N)c3ccccc3 -MOL_01_031636,CCCCC(N)c1nc(C)n(n1)-c2cc(Cl)cc(Cl)c2 -MOL_01_031637,CCc1nnc(nn1)CC2=CC(CC(C)C)=C(C2=3)N=CC3 -MOL_01_031638,Cc1ccccc1CCC(=O)Nc2ccc(cc2)Cc3ccncc3 -MOL_01_031639,c1cccc(c12)C(N)C(C2N)CCCCC3CCC(CC3)c4ccccn4 -MOL_01_031640,N=C(N)Cc1ccc(cc1)C2C(=N)CCC2c3c(F)cccc3Cl -MOL_01_031641,FC(F)(F)c1cc(ccc1)NC(N)c2ccccc2NC(N)C3CCCC3 -MOL_01_031642,CCNCc1cccc(c1)-c2ccc(cc2)CNc3c(CC(C)C)nn(C)c3C -MOL_01_031643,Cc1ccc(cc1C)CC(C2O)=CC(O)c(c23)cccc3 -MOL_01_031644,c1ccccc1CCNC(=O)C2CCN(CC2)CN(CC3)CCC34OCCO4 -MOL_01_031645,FC(F)(F)CNC(O)CNc(c(Cl)c1)cc(c12)CCCC2 -MOL_01_031646,CNc1cccc(c1)/C=C/C(=N)NCC(=N)c(c2)ccc(c23)NCC(N3)=N -MOL_01_031647,CC1CCN(CC1)Cc2cn(cn2)CC(=O)Nc3ccc(CN)cc3 -MOL_01_031648,C1C=Cc(n12)nnc2NC(=O)COc3ccc(Cl)cc3 -MOL_01_031649,Cc1ccc(cc1)CN2CCCCC2CCNC(=O)C(=O)NCc3cccnc3 -MOL_01_031650,O=C(O)CCNc1ncnc(c1=2)=NC(N2)=O -MOL_01_031651,NNc1ccc(cc1)NC(=N)C2CCN(CC2)C(=N)N3CCNc(c34)cccc4 -MOL_01_031652,c1ccccc1CCC(C)CNc2nc(N)c(C(C)N)nc2Cl -MOL_01_031653,Clc1cc(ccc1)CC(=O)c([n+]([O-])c2)cc(c23)cc(CCl)cc3 -MOL_01_031654,Clc1ccccc1CCC(N)Nc2ccccc2C(N)NC3CC3 -MOL_01_031655,CC(=O)Cc1ccc(cc1)CC2=C(C)C(=CC2=O)C(=O)C(C)Cc3ccc(F)cc3 -MOL_01_031656,Cc1ccc(c(n1)N)-c2ccc(cc2)-n3ccnc3 -MOL_01_031657,Clc1ncc(cc1)C(=O)CCC(=O)N2CCCCCC2 -MOL_01_031658,CNC(O)C1CCN(CC1)Cc2cccc(c2)NC(O)c3ccc(Cl)cc3 -MOL_01_031659,C12CCN(CC1)CC2(CN)CCC(O)(C3CCC3)c4ccccn4 -MOL_01_031660,Cc1cccc(c1)CCC(N)CC2CCC(CC2)C(N)C(C)C -MOL_01_031661,C=C(C)Nc1c(CN)ncn1Cc2ccccc2Cl -MOL_01_031662,CCCCOc1nc(nc(C)c1CBr)C2CCOCC2 -MOL_01_031663,C1CCc(c12)cc3c(c2)C(N)N(C3N)CCC4CCN(CC4)Cc5ccccc5F -MOL_01_031664,Cn1ccnc1CCC(=O)Nc2cccc(C(F)(F)F)c2 -MOL_01_031665,c1ccccc1Cn2c(nnc2C)CCC(N)c3ccccc3ON -MOL_01_031666,Cc1ccc(cc1C(=O)N)C(C)CNC(C)CNc2ccccc2 -MOL_01_031667,Cc1ccccc1-c(c2O)c(CC(C)O)cc(c23)cccc3 -MOL_01_031668,COc1cc(CO)cc(OC)c1CCc2ccc(cc2)NC(C)O -MOL_01_031669,CCCC(N)N1CCN(CC1)Cc(c2C)c(C)cc(c23)cc(cc3N)-c4ccccc4 -MOL_01_031670,c1occ(c12)cc(O)c(c2)-c(c3)ccc(c34)OCO4 -MOL_01_031671,NCCc1ccccc1NC(N)NCc2ccc(nc2)CCC3CC3 -MOL_01_031672,CCc1cccc(c1CC)C(N)NCC2CCCN(C2)Cc3ccccc3 -MOL_01_031673,CC(C)(O)c1ccc(cc1)-c2cccc(c2)Cc3nccc(n3)C(F)(F)F -MOL_01_031674,Cc1ccc(o1)CCNC(=N)C2CCC(=N)N(C2)Cc3cccc(c3)NN -MOL_01_031675,Fc1cc(F)ccc1C(CN)NC(O)CCCCc2cccnc2 -MOL_01_031676,NCc1ccc(cc1)NC(N)CCC(N)CCc2ccc(cc2)CN3CCCCC3 -MOL_01_031677,NCCCCNC(=C)c1ccccc1CC2CCN(CN)CC2 -MOL_01_031678,CNC(=N)Cc1cccc(c1)CN(C)CCCCc(c2)ccc(c23)c(=N)cco3 -MOL_01_031679,Clc1ccccc1CNC(=C)CCC(=C)C2CC(=C)N(C2)CCc3ccc(CN)c(c3)CN -MOL_01_031680,Cc1ccc(cc1NO)C(N)Nc2ccccc2N3CCCCC3 -MOL_01_031681,CC(=O)Nc1cccc(c1)C(=O)CCC(=O)NC2CCCCCCC2 -MOL_01_031682,CCCC(O)Cc1cc(O)n(c1O)CC(O)C2CCCCC2 -MOL_01_031683,C1CCC1c2cc(C)c(cc2C(=N)NC)C(=N)N3CCC(CC3)c4ccc(CN)cc4 -MOL_01_031684,O1CCOc(c12)ccc(c2)-n3nc(NC)c(n3)NCc4ccccc4Cl -MOL_01_031685,Cc1ccc(c(C)c1)NC(N)Cn2cc(CN3CCCC3)c(c2)CN4CCCC4 -MOL_01_031686,c1ccccc1CC(N)Nc2cc(OC)c(cc2)NC(N)c3ccccc3 -MOL_01_031687,CC(N)c1ccccc1NCc2ccc(cc2)CC(N)C(C)(C)C -MOL_01_031688,CNc1ccccc1C(N)CCC(N)c2ccccc2 -MOL_01_031689,C1CCCC1CN(CC)C(O)c2ccn(n2)-c3ccc(CN)cc3 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-MOL_01_031743,c1ccccc1CNC(=C)N(C2)CC(NCN3)C23NCc4cccnc4 -MOL_01_031744,CC1=CC(=NCN1)CCC(N)c2ccc(Cl)cc2Cl -MOL_01_031745,CCCCCCCCN(C(=N)CC1)C(=N)C1(CC)c2ccncc2 -MOL_01_031746,NC(=O)c1ccc(cc1C(F)(F)F)Nc2ccc(Cl)cc2Cl -MOL_01_031747,CCc1ncccc1C(=O)CCCc2ccc(cc2)C3CC(=O)CC3=O -MOL_01_031748,c1cc(F)ccc1C2C(C(=N)CCCN)CCc(c23)cc(CN)c(c3)CN -MOL_01_031749,CCC(=O)C(C)Cc1cc(N)c(O)c(N)c1 -MOL_01_031750,CN(C)c1ccnc(c1CN)CCc2ccccc2Cl -MOL_01_031751,Cc1cccc(c1)CCC(N=2)=NC(C23)=NC(N)=NC3=O -MOL_01_031752,CNNCCC(N)c1cccc(c1)CC(N)CCc2ccc(Cl)cc2Cl -MOL_01_031753,C1CCCC1CC(=N)CCc2nc(C)c(c(n2)N)Cc3ccccc3 -MOL_01_031754,c1ccccc1C(C(=O)NC(=O)N)CC(=O)CCNCc2ccccc2 -MOL_01_031755,c1ccccc1C(N)Nc2cc(ccn2)NCCCc3ccc(F)cc3 -MOL_01_031756,NCCCCC(N)C(=N)N(CC)Cc1c(cccc2)c2c(Cl)c(c13)cccc3 -MOL_01_031757,Cc1nn(C)c(c1Cl)C(N)CCc2ccc(C(C)(C)C)cc2 -MOL_01_031758,c1ccccc1CCC(=N)NC(C(=N)CCCN)Cc2ccccc2 -MOL_01_031759,CCNC(C1)CCc(c12)c(N)ccc2NN -MOL_01_031760,CCCCc(nc1O)cc(c12)c(CO)cc(c2)CO -MOL_01_031761,N=C(N)Nc1ccc(cc1)C(=N)CN2CCN(CC2)c3ccccc3 -MOL_01_031762,Cc1ccc(cc1)N2CC(CC2=N)C(=N)NC(C)CCc3ccccc3 -MOL_01_031763,CNC(O)c1cccc(c1)Cc2ncnc(n2)N3CC(C3)Cc4ccc(Cl)cc4C -MOL_01_031764,COc1ccccc1C(O)NCC(O)N2CCN(CC2)c3ncccn3 -MOL_01_031765,CCCCNC(O)c1nnn(c1CC)Cc2ccccc2 -MOL_01_031766,Clc1ccccc1C(=N)Nc2ccc(cc2CN)CCc3ccccn3 -MOL_01_031767,NCc(c1)ccc(c12)nc(C)c(c2)CN(C)C(O)c3ccncc3 -MOL_01_031768,CC(C)(C)c1ccc(nc1)C(N)Nc2ccc(cc2)C3CCNC3 -MOL_01_031769,CC(C)Oc1ccc(cc1CN)CCc2ccc(cc2Cl)Cn3ccnc3 -MOL_01_031770,CCCN1CCC(CC1)NOc2nc(cc(cc3)ON)c3c(c24)cccc4 -MOL_01_031771,NCCC(=O)C1CCC(CC1)c2nccn2CC3CC3 -MOL_01_031772,Fc1ccc(cc1C)Cn2ccc(c2)NC(=O)c3ccccn3 -MOL_01_031773,CC(O)c1cccc(c1)CC(O)c(n2)cnc(c23)cccc3 -MOL_01_031774,Nc1ccccc1NC(=N)c2ccc(cc2)CNC3=NCC(C3)c4ccccc4 -MOL_01_031775,Cc1ccc(CN)c(c1)NC(N)c2cc(ccc2F)CNC3CCCCCC3 -MOL_01_031776,Clc1cc(ccc1)CN(C)C(=O)n2cnc(n2)CC(CC34)C(C3)CC4 -MOL_01_031777,Cc1ccccc1Cc(c(n2)C(C)O)nc(c23)cccc3 -MOL_01_031778,Cc1ccc(cc1)-n2ccc(n2)CC3CCOC(C3)C(=O)ON -MOL_01_031779,c1cccc(c12)c(N)n(c2)CC(N)Nc3ccc(C(F)(F)F)cc3 -MOL_01_031780,c1ccccc1CCc2nnc(Cn3[nH][nH][nH][nH]3)n2-c4ccccc4 -MOL_01_031781,CC(C)(C)c1cc(ccc1)C(=C)Nc2ccc(N)c(n2)C -MOL_01_031782,Cc1ccc(O)n1CCC(O)CCC(O)Nc2ncc(Cl)cc2Cl -MOL_01_031783,Cc1ccc(cc1)NC(N)Nc2ccc(cc2)CCc(n3)ccc(n34)ncc4 -MOL_01_031784,C1CCCCC12C(CN)=C(N)NC(=C2CN)CCC(N)Nc3ccccc3 -MOL_01_031785,NCc1cccc(c1)CNC(N)c2ccc(cc2)Oc3ccc(cc3)CCC(N)(CN45)C(CC4)CC5 -MOL_01_031786,NCc1ccc(cc1)-c(cc(c23)CNC3)c(c2)Cc4cccnc4 -MOL_01_031787,CCNC(=N)NC(C)c1ccc(cc1)CN(C2)CCc(c23)cc(cc3)CCC(C4)C4(F)F -MOL_01_031788,Cc(c1)cc(N)c(c12)C3Cc4c(C(C2)C3)c(N)cc(c4)C -MOL_01_031789,C1CC1N2CCN(CCC2)C(N)c3ccc(nc3)Cc4ccc(F)cc4 -MOL_01_031790,Cc1cc(C)nn1CC(CC)CC(=O)Nc2ccc(F)cc2F -MOL_01_031791,c1ccccc1-c2c(c(=C)[nH]c2=C)-c3cccc(c3)CN -MOL_01_031792,c1ccccc1-c2ccc(N)c(c2)NC(=N)c3ccc(cc3)CNCc4cccnc4 -MOL_01_031793,c1ccncc1C(CC(=N)O)Cc2cccc(c2)NC(=N)CCCN -MOL_01_031794,CC(C)(C)c1cc(cc(c1)C(C)(C)C)NCNC(c2ccccc2)N3CCN(CC3)CC(N)O -MOL_01_031795,Cc1ccc(cc1)NC(C2N)=CC(N)c(c23)cccc3 -MOL_01_031796,NCc1c(F)ccc(c1N)C2CCCCC2 -MOL_01_031797,CC(C)n1nccc1NC(=O)CCC(=O)c2ccc(cc2)NC(=O)N -MOL_01_031798,Fc1ccc(cc1)NC(N)CN(C)C(N)c2ccccc2CCc3ccc(F)cc3 -MOL_01_031799,CC(C)N(C(C)C)CCC(C(=N)N)(CC(C)C)c1ccncc1 -MOL_01_031800,CC(=O)c1cccc(c1)CC(=O)C(C)(O)C(C)(C)C -MOL_01_031801,CCCN(CCC)C(N)c1cccc(c1)-n(c2N)cc(c23)cccc3 -MOL_01_031802,CC(=O)CC(=O)c1ccc(C)c(c1)CC(=O)C(Cl)C -MOL_01_031803,C1CNCCC1CC(=O)N2CCC(CC2)NCc3cc(ccc3C(F)(F)F)Cc4ccccc4 -MOL_01_031804,CCC(C)Cc1ccccc1CNC(N)c(n2)ccc(c23)cncc3 -MOL_01_031805,Nc1ccc(cc1Cl)CC(N)CC2NCC(CN2)Cc3ccccc3 -MOL_01_031806,Nc1cccc(c1N)CC(C2CCCC2)C3CCCCC3 -MOL_01_031807,CC(C)CCc1ccc(cc1CC)NC(N)C2CCCCN2 -MOL_01_031808,Cc1ccc(C)c(c1)C2C=C(CC2)CC(N)ON -MOL_01_031809,Cc1nc(C)cc(c1NC)CC(=O)c(c2)ccc(c23)cccc3 -MOL_01_031810,CCCC(=O)C1C(=O)CC(CC(=O)C)=CC1c2ccc(C)cc2 -MOL_01_031811,CCCN(CN1C)C(O)C12CCN(CC2)CCCC(O)c3ccc(F)cc3 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-MOL_01_031830,NCc1cccc(c1Cl)C(N)NCC(N(CC2)CCC2(F)F)c3ccc(F)cc3 -MOL_01_031831,CC(N)c1ccc(cc1CN)-c(c2)ccc(c23)C(N)Cc4c(C3)cccc4 -MOL_01_031832,NCc1cc(ccc1)CNC(=C)C2CCCN2C(=C)C3CCCN3C(=C)c4ccccc4 -MOL_01_031833,Cc1ccc(Cl)cc1NC(N)CCC(N)C2CC2 -MOL_01_031834,Cc1noc(c1C)NCc2ccccc2-c3ccc(cc3)-c4cnco4 -MOL_01_031835,N=c(o1)ccc(c12)cc(c(c2)N)OCCN3CCCCC3 -MOL_01_031836,CN1CCN(CC1=O)C(=O)c2ccc(c(Cl)c2)CNc3cccc(Cl)c3 -MOL_01_031837,Cc1ccc(cc1)CNC(N)c2cc(cn2C)CN3CCCC(C)C3 -MOL_01_031838,O=C(O)CN1C(=O)/C(CC1=C)=C/C(CN)=C/c2ccc(OC)cc2 -MOL_01_031839,NCc1ccc(cc1CN)CC(c2ccccn2)C(N)Cc3ccccc3 -MOL_01_031840,c1ccccc1-c2cc(N)c(nn2)CCCC3CCC(O)CC3 -MOL_01_031841,C1CCCCC1c2cc(CCN)nc(n2)-c3ccccc3 -MOL_01_031842,O=C1N=NC=C1c2ccnc(n2)NCCN3CCCC3 -MOL_01_031843,Clc1ccc(cc1)CNC(O)NNCc2cccc(c23)cccn3 -MOL_01_031844,Clc1c(Cl)cccc1CNC(C)(C)CC(=N)NC(C(C2)CC(C3)C4)C3CC24C(=N)N -MOL_01_031845,Clc1cc(ccc1)C(=N)N2CC(CNN2)Cc3ccc(CN)cc3 -MOL_01_031846,FC(F)(F)c1ccc(cc1)C(N)NC(C)(CN)CCc2c(Cl)cccc2Cl 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-MOL_01_031952,Cc1cc(C)c(c(C)c1)Cc2ccc(N)c(n2)Nc3ccc(CN)cc3 -MOL_01_031953,c1cccc(c12)cccc2C(C(C(C)=N)CN)c3cccc(c34)cccc4 -MOL_01_031954,Fc1cnc(cc1)NCc2cc(CN)c(cc2)Oc3cc(F)cc(F)c3Cl -MOL_01_031955,c1cccc(c12)nnn2C(O)N3CCN(CC3)Cc4ccc(F)cc4 -MOL_01_031956,NCc(cc1)cc(c12)CN=C(C2C)c3ccc(CN)c(c3)CN -MOL_01_031957,CCC(O)c1ccc(c(CF)c1)CCC(O)C2CCN(C)CC2 -MOL_01_031958,NCc1ccc(cc1)C(N)NCc2cccc(c2)-c3cccc(c3)CN4CCNCC4 -MOL_01_031959,Cc1ccc(cc1)-n2nnnc2CNCc3ccc(cc3)NC(C)O -MOL_01_031960,Cc1c(C)cc(cc1C)CNC(O)CCC(O)c2ccc(Cl)c(N)c2 -MOL_01_031961,CCNC(=N)C1CCCN(CC1)C(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_031962,C1CNCCC12CC(NC2)C(N)N3CCN(CC3)c4ccccc4 -MOL_01_031963,c1cccc(c12)c(N)n(c2)C(N)CCc3ccccc3 -MOL_01_031964,CC(O)Nc1ccc(cc1)NC(O)CCn2c(O)cc(c23)cccc3 -MOL_01_031965,CNc1cccc(NC)c1C(N)CCc2cccc(c23)cccc3 -MOL_01_031966,c1cccc(c12)c(=N)n(cn2)CCCCn3ccnc3 -MOL_01_031967,Cc1cc(C(N)N)cnc1NCc2ccccc2 -MOL_01_031968,CC(C)CN1CCN(CC1)C(O)CN(C)c2ccc(Cl)cn2 -MOL_01_031969,OCc(c1)c(CO)c(CO)c(c12)C(CC2N)c3cccc(c3)CO -MOL_01_031970,NCCNC(=N)CNc1ccc(c(c12)cccc2)C(=N)Nc3cccc(F)c3 -MOL_01_031971,Nc1ccccc1-n2nc(N)c(n2)C(N)CCc3ccccc3 -MOL_01_031972,CCC(C)c1cc(NC)c(CC(C)N)cc1NC -MOL_01_031973,CNc1ccc(cc1)NC(C)Nc2c(NN)c(C)nn2C -MOL_01_031974,Cc1ccc(cc1)CNC(=N)C(C(C)C)N(C2=N)Cc(c23)cccc3 -MOL_01_031975,NCc1cccc(c1)NCCNCCN(C2N)C(N)c3cccc(c3c24)ccc4 -MOL_01_031976,CC(C)N1CCCN(CC1)C(N)c2ccc(cn2)Cc3ccc(Cl)c(Cl)c3 -MOL_01_031977,c1cncn1CCCNC(=O)c2cccc(c2)CNc3ccccc3F -MOL_01_031978,CCCNC(C(=O)CN)CC(=O)C1CCC(CC1)Cc2ccccc2 -MOL_01_031979,Cc1ccccc1CN2CCN(CC2)C3CCN(C3)Cc4cn(nn4)Cc5ccccc5 -MOL_01_031980,NCCC(C)NC(O)CCc1nncc(c12)cccc2 -MOL_01_031981,Cc1cccc(c1N)C(=N)CCC(=N)NC(=N)c2ccccc2CN -MOL_01_031982,FC(F)(F)c1ccc(cc1)C2CC2C(=N)N3CCN(CC3)Cc4cc(CN)cc(C(F)(F)F)c4 -MOL_01_031983,NCc1ccccc1C(N)N2CCN=C2c3ccccc3 -MOL_01_031984,Cc1cc(ccn1)-c2cc(N)cc(n2)Nc3cc(N)ccn3 -MOL_01_031985,NNc(c1)ccc(c12)ccc(N)c2C(N3CCC(C)CC3)c4cccc(c45)cccc5 -MOL_01_031986,C1CCC1C(=N)N2CCC(CC2)C(=N)NCC(N)c3cccc(F)c3 -MOL_01_031987,Cc1ccc(cc1)NC2CCCN(C2)C(=N)c3ccnc(Cl)c3 -MOL_01_031988,CC(=O)NC1NNCC1c2ccc(nc2)CCc3ccccc3C -MOL_01_031989,CC1CCCC1C(=N)Cc2c(N)cccc2N -MOL_01_031990,NCc(c1)ccc(c12)C(=N)c3c(CC2)cc(cc3)Nc4ccccc4N -MOL_01_031991,c1cccc(c12)ncc(n2)C(=N)CC34CC5CC(C3)CC(C5)C4 -MOL_01_031992,CNc(n1)nc(n12)CCC(C2)CCc3ccc(cc3)CC(C)(C)C -MOL_01_031993,Clc1cnc(cc1)NC(=O)CCC(=O)c2cccc(F)c2 -MOL_01_031994,N=C(N)c1cccc(c12)CN(C2=N)C3CCN(CC3)Cc4cccc(Cl)c4 -MOL_01_031995,CNc1ccc(cc1)CC(C(N)CC2)c(c23)cc(cc3)NC -MOL_01_031996,CC(C)C(N)C(=O)Cc1nc(CC)nc(n1)CCCn2c(NC)cnc2C -MOL_01_031997,CC(C)(C)c1cnc(O)c(c1)NC(O)C2CCNC2 -MOL_01_031998,CCc1c(C)cc(N)c(N)c1-c2ccccc2 -MOL_01_031999,c1cccnc1C(c2ccccc2)NNc(n3)cnc(c34)cccc4 -MOL_01_032000,Nc1ccccc1C(C)C(=O)C(=CC2)CCC23CCCC3 -MOL_01_032001,N=C(N)CC1NCCC(N1)c2cccc(c2)CC(=N)c3cccc(F)c3 -MOL_01_032002,Cc1cccc(c1)C(N)NCC(N)NCC2CCN(CC2)Cc3ccc(Cl)cc3 -MOL_01_032003,CC(C)NCc1cc(ccc1CN)-c2ccc(cc2)NC(=N)c3ccc(CN)cc3 -MOL_01_032004,CCc1cc(CC)nc(n1)NC(=O)NCc2c(CN(C)C)cnn2C -MOL_01_032005,Clc1cc(ccc1)CC2(N)CN(CN2)Cc3ccc(CC(F)(F)F)cc3 -MOL_01_032006,CNC(=O)Nc1ccc(c(c1)C(=O)C)CCC(C)CNC(C)C -MOL_01_032007,c1ccncc1NC(=O)N2CN(C2)Cc3ccc(cc3)-c4ccccc4 -MOL_01_032008,c1cncn1-c2ccc(cc2)C(N)c3cc(C)c(cc3)CCCCCCCCC(N)O -MOL_01_032009,NCc1ccc(c(c1)CN)Cc2ccc(cc2)-c3ccccc3F -MOL_01_032010,CCCC(=O)c1cnc(nc1N)CCC(=O)N2CCCCC2 -MOL_01_032011,NC(=O)c1ccc(nc1)Cc(c2)ccc(c23)CCN(CC3)C4CCC4 -MOL_01_032012,c1cnccc1C(=O)Cc2ccccc2C(=O)C3CCOCC3 -MOL_01_032013,NC(N)CCNC(=N)c1ccc(cc1)NC(=N)N(C2)Cc(c23)cccc3Cl -MOL_01_032014,Clc1ccc(cc1)NC2(CO)NCC(CN2)Cc3ccc(F)c(F)c3 -MOL_01_032015,CCc1ccc(cc1)C(C)N(CC2)C(N)CC23CCC(N)CC3 -MOL_01_032016,Cc1c(Cl)cnc(c1Cl)NC(=O)CCC(=O)c2ccncc2 -MOL_01_032017,Cc1cc(C(F)(F)F)nc(c1CN)CCCN2CCCCC2 -MOL_01_032018,CCCC(N)N1CCN(CC1)C2=C(N)C(N)=C2N3CC=C(CC3)c4ccccc4 -MOL_01_032019,Fc1ccc(cc1)C(N)CCCN(CC2)CCC23C(N)NCN3C4CCCCC4 -MOL_01_032020,CN1CCC(CC1)N2CCC(C2)NC(N)c3ccc(cc3)CCc4ccc(C(F)(F)F)cc4 -MOL_01_032021,CCC(=O)CCc1c(CCC(=O)CC)c(N)n(c1N)-c2ccccc2 -MOL_01_032022,O=C1CC(C(=O)N1)Cc2ccc(cc2)Oc3ccc(Cl)cn3 -MOL_01_032023,C=C(N)C1=NN(C(=C)C=C1C)c2cccc(C)c2 -MOL_01_032024,c1ccncc1C(N)(N)C(=O)CC23CC4CC(C2)CC(C4)C3 -MOL_01_032025,C1C(C2)CC(C3)CC1CC23C(=N)NCCN4CCN(CC4)c5ccccc5CN -MOL_01_032026,NCCCC(=N)C1(N)CCC(C1)Cc2ccc(Cl)c(Cl)c2 -MOL_01_032027,NCc1cccc(c1)C(O)Nc2cccc(n2)Cc3cccnc3 -MOL_01_032028,Cc1ccc(C)c(c1)CN2CCN(CC2)C(=N)c(n3)ccc(c34)cccc4 -MOL_01_032029,NC1NC(N)NC(N)C1(CCCC)Oc2ccc(cc2)Oc3ccc(F)cc3 -MOL_01_032030,CC(C)(C)c1ccc(Cl)c(c1)CNC2CCN(CC2)CC(=N)N -MOL_01_032031,CC(C)(C)c1cnc(O)c(c1)NC(O)CCCNc2ncccn2 -MOL_01_032032,O=C(N)CCc1ccc(c(c12)cccc2)C(=O)Nc3cccc(F)c3 -MOL_01_032033,CCc1ccc(cc1)C(=O)C(CNN2)CC2(C)C(=O)CCC3NN3 -MOL_01_032034,Cc1ccc(cc1C)Cn2ccc(c2)NC(=O)c3ccccn3 -MOL_01_032035,NCc1ccc(CN)c(c1)Cn2cnc(n2)C(N)NCc3ccc(cc3)-c4ccccc4 -MOL_01_032036,C1CC1NC(=O)CCc2n(CC)c(nn2)Cc3ccc(ON)cc3 -MOL_01_032037,CCCC(=O)c(nc1=O)cc(n12)cccc2 -MOL_01_032038,Fc1ccc(cc1)N2CCN(CC2)C(=N)C3CC(=N)N(C3)c4ccccc4 -MOL_01_032039,Cc1ncccc1C(=O)CCC(=O)NCCc2ccc(Cl)cc2Cl -MOL_01_032040,c1cccc(c12)c(=N)n(nc2)CCCN3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_032041,Cc1cccc(C)c1N(C(C)N)c2ccc(cc2)C(N)N(C)CCCCCCC(N)N -MOL_01_032042,NCc1cc(ccc1)Nc2ncc(NC)c(n2)CCC3CCCCC3 -MOL_01_032043,NCc1ccccc1-c2ccc(c(F)c2)-c3ccc(N)nc3 -MOL_01_032044,Cc1ccc(cc1)CNCC(=N)N(CC2CCCN2)C(C(C)C)C(=N)NC3CCCC3 -MOL_01_032045,c1cc(Cl)cc(c12)c3c(cc2CN)ccnc3O -MOL_01_032046,c1ccccc1C(=O)CCC(=O)C(C)CC(=O)Cc2c(N)cccc2N -MOL_01_032047,NCc1ccc(Cl)cc1CNc2cncc(c2)C(=O)N -MOL_01_032048,NCc1cc(ccc1)C(N)N(C)CC2CCN(CC2)CCc3cccc(C(F)(F)F)c3 -MOL_01_032049,C1COCCC1CN(C)C(=N)CC2C(=N)NCCN2Cc3cccc(F)c3 -MOL_01_032050,CN(C)C(=O)Nc1ccc(N)cc1CCCN -MOL_01_032051,C=C(C)Cc1nc(Cl)nnc1Cc2nnnnc2Cl -MOL_01_032052,c1cccc(c12)ccc(c2N)C(N)CCc(c3)ccc(c34)CCC4 -MOL_01_032053,Cc1c(O)cc(C(C)O)cc1C(C)O -MOL_01_032054,Cc1cc(C)c(c(C)c1)NC(=N)CCCC(=N)NCCN2CCCCCC2 -MOL_01_032055,CCc1ccc(cc1CC)N2C=CN(C(N)=C2N)CC(N)Nc3ccc(C)c(C)c3 -MOL_01_032056,C1C(C2)CC(C3)CC1CC23C(=N)N4CCN(CC4)Cc(c5)ccc(c56)NCN6 -MOL_01_032057,CN(C)c1ccc(cc1)-c2cn(nn2)CCc3ccc(Cl)nc3 -MOL_01_032058,C=C(C)C(C=1N)=CC(C12)=NC=C2CCCN3CCCCC3 -MOL_01_032059,CCCCc1c(C(O)O)cc(OC)cc1C(O)O -MOL_01_032060,Clc1cc(Cl)ccc1C(N)NC2CCCN(C2)CCC(N)(N)N -MOL_01_032061,CCc1ccc(C(N)CC)c(F)c1C(O)c2ccccc2 -MOL_01_032062,c1ccccc1CCNC(=O)CCC(=O)c2ncc(Cl)c(Cl)c2Cl -MOL_01_032063,NCc1ccccc1N2CCN(CC2)CC(O)NCC3CCCC3 -MOL_01_032064,Nc1cc(N)nc(n1)CCCN2CCN(CC2)Cc3ccc(NF)cc3 -MOL_01_032065,c1nc(C)cc(c12)ncnc2CCc3cccc(c3)ON -MOL_01_032066,c1ccccc1C2c(c(Cl)ncn3)c3Cc(c24)ncnc4Cl -MOL_01_032067,O=C(N=1)N=c(c12)ccc(c2)NCc3ccc(o3)-c4ccc(F)cc4 -MOL_01_032068,NCc1c(CN)cc(cc1CN)C(N)N2CCN(CC2)c3cc(Cl)ccc3Cl -MOL_01_032069,NCc1ccccc1CNC(=N)C2CCC(CC2)CNc3c(c(=N)c3=N)N4CCCCC4 -MOL_01_032070,NC1(N)C=CC(=N)N1CCCCN2CCN(CC2)c3cccc(Cl)c3 -MOL_01_032071,COc1ccc(cc1OC)CC/N=C2\CCC(=O)N2Cc3ccccc3 -MOL_01_032072,CCC(C)C(N)C(=O)C1=C(CCC1)C(=O)Nc2ccc(C(C)(C)C)cc2 -MOL_01_032073,CCCN(CC)Cc1ccc(c(n1)O)C(O)NCC2CCCCC2 -MOL_01_032074,CC(=N)C(N)Cc1ccc(cc1)CCc2cccc(c2)-c3c(N)cccc3N -MOL_01_032075,Cn1nc(CN)cc1C(N)CC(CC)c2ccc(cc2)Cc3ccccc3 -MOL_01_032076,CC(N)NC(C)c1ccc(cc1)CN(C2)CCc(c23)cc(cc3)CCCC(F)(F)F -MOL_01_032077,CC(C)(C)CCN1CCCC(C1)NC(N)c2ccc(Cl)cc2Cl -MOL_01_032078,CN(C)CCN(C)Cc1ccc(cc1)-c2ccc(cc2)NC(=N)c3cccc(c3)CN -MOL_01_032079,OCc(c1)ccc(c12)CC(C2)Cn3cc(nn3)-c4ccccc4 -MOL_01_032080,c1nccc(c12)CN(C2)C(O)Nc3ccc(cc3)C(O)N4CCC4 -MOL_01_032081,NCCCC(CC1(C)C)C(=O)C1Cc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_032082,N=C1NC(CC1)C(=N)NC(CCCCCC)C(=N)Nc2cccc(C(F)(F)F)c2 -MOL_01_032083,Nc1cc(ccn1)NC(N)c2ccc(C(F)(F)F)cc2CC(CC34)C(C3)CC4 -MOL_01_032084,O=C1C=C(C=N1)C2CCNC(C2)Cc3ccccc3 -MOL_01_032085,Oc1cc(O)c(cc1C)C2CC=C(C2)C(O)O -MOL_01_032086,NCc1ccc(cc1)CC2(C(=O)CN)CC(=O)CC2c3ccccc3 -MOL_01_032087,CC(N)Cc1cc(ON)c(cc1ON)CCCc2ccc(ON)cc2 -MOL_01_032088,NC1CN(CC1)C(=N)Nc2cccnc2Oc3ccc(ON)cc3 -MOL_01_032089,CC(C1)Cc(c12)cccc2-c3ccc(C(O)O)c(O)c3 -MOL_01_032090,NCCC(=O)NC(=O)Cc1cccc(c1)CCc(n2)ccc(c23)cccc3 -MOL_01_032091,CC(O)C(C)CCc1c(n(C)nc1C(C)C)C2CCOCC2 -MOL_01_032092,NOc1ccccc1N2CCN(CC2)CCCC(N)Nc3ccc(Cl)cc3Cl -MOL_01_032093,CC(C)Cc1ccc(cc1)CN(CC2)CC2(C)Cc3cc(CN)cc(c3)CN -MOL_01_032094,CC(C)CC1C(=N)N(CN1C)CNC(=N)C(C)c2ccc(cc2)C(=N)c3ccccc3 -MOL_01_032095,C12CNCC(C1)CN(C2)C(=N)c3ccc(Cl)c(c3)C(=N)NCC45CC6CC(C4)CC(C6)C5 -MOL_01_032096,CCCCCCCCCc1ccc(cc1CN)-n2cc(cn2)C(C)O -MOL_01_032097,Cc(n1)cnc(c12)nc(N)nc2C -MOL_01_032098,C1CCCC(C)=C1C(=N)Nc2ccc(cc2)CC(=N)NCCc3cc(CN)ccc3CN -MOL_01_032099,c1ccccc1C(C)(N)CN2CCN(CC2)CCNC(c3ccc(F)cc3)c4ccc(F)cc4 -MOL_01_032100,Cc1cccc(n1)NC(O)c2nc(Cl)cnc2N -MOL_01_032101,NCc1c(C)cc(cc1C)C(=C)Nc2ccc(C)cn2 -MOL_01_032102,Cc1ccc(Cl)cc1CCc2cc(C(=O)N)n(C)c2 -MOL_01_032103,Cc1cc(CN)c(CN)cc1C(C)CC(=O)c2cccnc2C -MOL_01_032104,c1ccccc1/C=C2\CC(=C)N(C2=O)CCC(=O)N3CCOCC3 -MOL_01_032105,CC(=N)c1ccc(cc1)C(C)NC(=N)C2CCCN2Cc3ccc(C(F)(F)F)cc3 -MOL_01_032106,N=C1CCCC=C1C(N)CCNC(c2ccccc2)(c3ccccc3)c4ccccc4 -MOL_01_032107,Cc1ccc(cc1)N2CC(CC2=N)C(=N)N3CCC(CC3)C(=N)NCCCN -MOL_01_032108,Oc1ncc(c(n1)O)CNC(O)C(C2)CCCc(c23)cccc3 -MOL_01_032109,Cc1ccc(nc1)NC(N)c2cc(C)c(C)cc2Cl -MOL_01_032110,Cc1ccc(cc1)C(=N)NC(=C)Nc2ccc(cc2)-c3ccc(o3)CN -MOL_01_032111,Cc1nn(C)c(C)c1CCC(O)NCC(C)c2ccccc2F -MOL_01_032112,C1CCCC1C(=O)CCc2ccc(cc2)C3CC(CC3=O)C(=O)NCc4ccccc4 -MOL_01_032113,NCc1ccc(cc1)Cc(c2)ccc(c23)nc(cc3)C(N)NC4CCC(O)CC4 -MOL_01_032114,Cc1ccc(cc1)CNC(=O)Nc2ccc(cc2)NC(=O)c3ccccc3C -MOL_01_032115,CCCNc1c(F)c(F)c(c(F)c1F)C(O)CN -MOL_01_032116,Cc1ccc(cc1)NC(=O)Cc2nnc(n2C)CCC(=O)Nc3ccccc3 -MOL_01_032117,CCCC(N)CN(CC1(C)C)C(=N)CN(C1)C(=N)CCc2ccccc2 -MOL_01_032118,CCNCCN(C1O)C(O)c2cccc(c2c13)cc(c3)NC -MOL_01_032119,Cn1nc(CN)c(Cl)c1C(N)NCc2ccc(cc2)CCCCN -MOL_01_032120,C1CCCN=C1C(O)Nc2cc(C(F)(F)F)ccc2N3CCCCC3 -MOL_01_032121,c1ccccc1CCC2(C(N)CCC)CCN(CC2)C(N)c3cc(C)nc(n3)C -MOL_01_032122,Cc1cccc(C)c1NC(N)CNCCCC(N)Nc2cccc(Cl)c2C -MOL_01_032123,CCC(=O)c1nc(nc(C)c1C)Cc2ccccc2 -MOL_01_032124,c1cccc(c12)c(cc(C)c2N)CC(N)CCc3ccc(F)cc3 -MOL_01_032125,Cn1cccc1CC(CC2)CCC23CCCC(C3)C(N)c4cccnc4 -MOL_01_032126,Cc1cc(C(C)(C)C)nn1C(C)C(=N)Nc2ccncc2 -MOL_01_032127,CCc1ccc(cc1CC)-n2nnnc2CCC(=O)NCCc3ccccc3 -MOL_01_032128,C=C1OC(C)=CC(=C12)CC(N)=C(CN)C2CCC3CCCCC3 -MOL_01_032129,c1ccncc1CNC(=C)c2ccccc2NCc3ccc(CN)c(N)c3 -MOL_01_032130,Cc1noc(C)c1CCCC(=O)Nc2ccccc2N3CCCCC3 -MOL_01_032131,Fc1ccc(cc1)C2(C)CCN(CC2)CC(N)NCc3ccc(F)cc3 -MOL_01_032132,C1CCc(n12)nnc2CC(=N)C(CN)c3ccccc3 -MOL_01_032133,Clc1ccc(cc1)C2(CC2)C(N)N(C)Cc3ccccc3CN -MOL_01_032134,Cc1c(C)c(CN)c(nc1C)CCC(O)CC(O)CC(C)C -MOL_01_032135,NCc1ccc(N)cc1NC(=N)NC2CCN(CC2)Cc3ccccc3 -MOL_01_032136,CC(C)c1nn(C)c(CN)c1CNCCC(=O)NC2CCCCC2 -MOL_01_032137,Cc1cc(C)cc(c1)CC(C(=N)NCCN)NC(=N)C(c2ccccc2)c3ccccc3 -MOL_01_032138,CCC(=O)c1cc(CF)cc(c1)C(=O)CCC(=O)CC2CCCC2 -MOL_01_032139,Cc1c(N)ccc(c1C(N)(N)O)-c2ccccc2 -MOL_01_032140,NCc1cccc(c1CN)C(N)Nc2cccc(c23)cccn3 -MOL_01_032141,Nc1ccc(c(N)c1)CCC2=CC(N)(N)Cc(c23)cccc3 -MOL_01_032142,C1CCCC1(N)C(=N)NCC2CCCN(C2)Cc3ccccc3F -MOL_01_032143,NCc1ccccc1CN2CCN(CC2)CC(O)NCC3(CCCCC3)N4CCCCC4 -MOL_01_032144,CCc1ccc(cc1)CNC(N)CCc2ccc(cc2)C(N)c3ccc(F)cc3 -MOL_01_032145,c1ccccc1CC(CN)NC(N)CCc2ccccc2 -MOL_01_032146,Cc1cccc(c1)N2CCN(CC2C)C(N)Nc3cccc(c3)CN -MOL_01_032147,COc1ccc(Cl)cc1C(O)NCNc2ccc(cc2)CNc3ncccn3 -MOL_01_032148,OCc1ccc(cc1)C(CC)C(=O)Cc(c2)ccc(c23)cncc3 -MOL_01_032149,O=c1n(C)c(=O)c(cn1C)CNc2ccc(CC(F)(F)F)cc2 -MOL_01_032150,Cc1ccc(c(C)c1)-c(c2)cc(O)c(c23)c(C)cc(c3)CN -MOL_01_032151,CC(=O)CCc1ccc(cc1CCC(=O)C)C(=O)CNC(=O)C2CCNCC2 -MOL_01_032152,CC(=O)C(C)C(CC)C(=O)c1c(Cl)cnn1CC -MOL_01_032153,NCc1cccc(c1)CNC2CCN(C2)CCCCc3ccc(cc3)C(=O)C4CC4 -MOL_01_032154,NNc1ccc(cc1)NC(=N)Cn2c(cccc3)c3c(=N)c(c24)cccc4 -MOL_01_032155,c1ccccc1CC(N(C)C)(CN)C(=N)c2ccc(cc2)N3CCCCC3 -MOL_01_032156,CC(C)c1nnc(n12)CCC(=N2)c3ccc(Cl)cc3 -MOL_01_032157,CN(C)Cc1ccc(cc1)NC(=O)C2CCC(CC2)Cc3ccccc3CN -MOL_01_032158,CN1CCN(CC1)C(=N)C2=CC(C3CCCCC3)CC(N2)NCc4ccc(CN)cc4 -MOL_01_032159,C1CCCC1CNC(=O)CCc2ccc(cc2)CNC3CCCC3 -MOL_01_032160,c1cccc(c12)CC(C2)(C(C)(C)C)NC(O)NCc3cccnc3 -MOL_01_032161,N=C(N)C1CCCN(C1)CCCCC(c2ccccc2)c3ccccc3 -MOL_01_032162,CCCCCC(C1N)=CC(N)c(c12)cccc2 -MOL_01_032163,c1nc(C)cc(c12)ncnc2CCc3ccccc3ON -MOL_01_032164,NCC(=N)n1nc(nc1N)-c2ccc(Cl)cc2 -MOL_01_032165,C1CCC1C(=N)C(CC23)CC(C2)C3c4ccc(cc4)-c5cccc(c5)CN -MOL_01_032166,c1ccccc1CC(NC(=N)N)C(=N)NC(c2ccccc2)c3ccccc3 -MOL_01_032167,CC(C)(O)C(C)CC(N)c1ccc(cn1)NNc2cc(F)ccn2 -MOL_01_032168,Fc1ccc(cc1C)-c2cccc(c2)Cc3cc(N)nc(n3)N -MOL_01_032169,NCC(=O)C1CC(CN1)CC(=O)c2ccccc2 -MOL_01_032170,COCc1ncnc(c1)CC(CC)c2ccc(cc2)Oc3ccc(F)cc3 -MOL_01_032171,C1CCCN1CC(c2ccccc2)N(C)C(=N)C(NC(=N)CN)c3ccccc3 -MOL_01_032172,CCc1nccc(-c2cc(C)nc(C)c2)c1CCc3ccc(N)nc3 -MOL_01_032173,c1cccc(c12)c(nnc2C)C(=O)CCC(=O)CC3CCC(C)CC3 -MOL_01_032174,Cc1ccccc1C(=N)Nc2ccc(c(c23)cccc3)CNC4CCN(CC4)C(=N)CCCCN -MOL_01_032175,CC(N)c1ccccc1NC(C)c2cc(CN)c(CN)c(c2)CN -MOL_01_032176,Cc1cccc(n1)CN(C(N)CC2)C23CCN(CC3)C(N)NC(C)C -MOL_01_032177,Cc1nccn1-c2ccc(cn2)NCc3cccnc3 -MOL_01_032178,NC(O)c1ccccc1C(N)Nc2ccc(c(Cl)c2)Oc(c3)ccc(c34)cccc4 -MOL_01_032179,NOC(=C)c1ccc(cc1)NC(=C)CCNCc2cccc(c23)non3 -MOL_01_032180,CN(C)C(=C)c1cccc(c1)CC(N)C(=C)N2CCN(CC2N)C(=C)c3ccccc3 -MOL_01_032181,NCc1cc(N)c(Cl)cc1C(=O)CC(C2)CC(C23)CCCC3 -MOL_01_032182,NCNCc(c1)ccc2c(c3c(c4c12)cc(CN)c(c4)CN)CC5C(C3)CCCC5 -MOL_01_032183,NCC(=O)c1ccc(cc1)C(=O)C2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4 -MOL_01_032184,FC(F)(F)c1c(CC)ccc(c12)c(c(cc2)CCC(F)(F)F)C(N)N(C)CC(N)N -MOL_01_032185,CCC(N)/C/1=C/CCCN(/C=C\1C(N)CC)C(c2ccccc2)c3ccccc3 -MOL_01_032186,c1cccc(c12)C=C(C2O)C(C3O)=Cc(c34)cccc4 -MOL_01_032187,CC(C)(C)OC(N)NCC(N)Oc(c(Cl)c1)cc(c12)cc(N)cc2-c3ccccc3 -MOL_01_032188,NCc1c(CN)cccc1CN(C)C(=N)c2cccc(c2)CN3CCN(CC3)c4ccccc4 -MOL_01_032189,CC(C)(C)Cc1ccc(cc1)NC(O)c2cccc(c2)-n3cnnn3 -MOL_01_032190,CN(C)CCN(C1=N)C(=N)c(ccc2)c3c2cc(c4c13)ccc(c4)-c5ccccc5 -MOL_01_032191,Cc1cccc(C)c1NC(N)C2CN(CCN2)Cc3ccccc3 -MOL_01_032192,C1CCCCC1N(CC)C(O)COC(O)c2cccc(c2)-n3cnnn3 -MOL_01_032193,C=C(C)c1cc(CN)c(C)nc1NC -MOL_01_032194,NCc1ccccc1N2CCN(CC2)CCC(O)N3CCCCC3 -MOL_01_032195,Cc1ccc(cc1)C(N(C)C)C(O)NCC2(CC2)Cn3cccn3 -MOL_01_032196,Cn1c(O)nnc1Cc2ccc(CC)c(c2C)Cc3cc(Cl)cc(c3)CN -MOL_01_032197,CC(=O)C(N)c1cc(C)cc(C)c1Cl -MOL_01_032198,NCc1ccccc1Cc2ccc(nc2)NCc3c(F)cccc3F -MOL_01_032199,NCc1c(CN)ccc(c12)ccc(c2O)-c3ccccc3 -MOL_01_032200,CC(C)(C)c1ccc(c(O)c1)C(O)CC(O)c2ccc(C(O)O)cc2 -MOL_01_032201,CC(O)Nc1ccccc1NC(O)Nc2ncccc2CCc3ccccc3 -MOL_01_032202,CN1CCN(CC1)C2(CCCCC2)CNC(=N)c3ccc(C(N)(N)N)cc3 -MOL_01_032203,C1CCCC1CC(O)N2CCCN(CC2)c3cccnn3 -MOL_01_032204,CC(C)(C)c1ccc(c(n1)N)Cn2ccc(c2N)CCO -MOL_01_032205,O=C(O)c1ccc(nc1)C2CNC(NC2)Cc3cccc(F)c3 -MOL_01_032206,Cc1ccccc1C2CCC(N2)C(=O)O -MOL_01_032207,Fc1ccc(cc1)N(CC)C(=N)CNC(=N)c(c2)ccc(c23)NCN3 -MOL_01_032208,Nc1cc(N)nc(n1)CCC(O)NCc(c2)ccc(c23)OCO3 -MOL_01_032209,CCCC(=O)NCc1ccc(C)cc1-c2ccc(cc2)Cn3cncn3 -MOL_01_032210,CCCOc1ccc(cc1)Cc2c(Cl)nc(CC)nc2OC -MOL_01_032211,NOc1cc(ccc1)NC(=C)N2CCC(C2)c3ccc(C)cc3 -MOL_01_032212,c1ccccc1CC(=O)NCC(=O)C2CCC(CC2)c3ccccc3 -MOL_01_032213,c1cccnc1CCNC(=N)C(C(C)C)NC(=N)c2cccc(c2)CN3CCCCC3 -MOL_01_032214,Cc1ccc(cc1)C2=CC(=N)C(=C2N)c3ccccc3 -MOL_01_032215,CCNCN(N)c1cncn1C(C)c2ccccc2 -MOL_01_032216,c1ccccc1Cc2cc(NC)cc(c2)NC(O)CCCn3nc(NC)cc3C -MOL_01_032217,CCOc1ccc(cc1)NC(=N)CN2CCCN(C2)Cc3cc(C)ccc3C -MOL_01_032218,O=C1CC(C)(C)CC(N=C(C)C2CN)=C1C23CCCCC3 -MOL_01_032219,C1CCCC12C3(CCCC3)CC(=N)C(C(C)C)=C2Cc4cc(N)cc(N)c4 -MOL_01_032220,Cc1cnc(nc1)N(C2)CC(CCC3)C23CCc4ccccn4 -MOL_01_032221,CCCc1ccc(cc1)CN(c2ccccc2)CC(=O)NCc3ccccc3CN -MOL_01_032222,c1cccc(c12)C=CC(CN)C2C(=O)Cc3ccccc3 -MOL_01_032223,O=C(C)c(c1C)cc(CN)c(c12)c3c(cc2)CC(C)(C)C=C3 -MOL_01_032224,C1CCNCC1C(=C)Nc2ccc(CN)c(c2)CCC(C)C -MOL_01_032225,CC(C)(C)CC(O)N1CCN(CC1C(O)O)c2cccnc2 -MOL_01_032226,Cc1ccccc1NC(=N)c2ccc(CN)c(c2)CC3CCCC3 -MOL_01_032227,C=CCn1nnnc1CCC(=O)Nc2cccc(c2)OC -MOL_01_032228,c1ccccc1CNC(=N)C2CCN(CC2)C(=N)c3ccc(cc3)-c4ccccc4 -MOL_01_032229,NOc1cc(N)c(Cl)cc1C(=N)NCCN(Cc2ccccc2)Cc3ccccc3 -MOL_01_032230,CN(C)CCCNCC(O)Nc1ccc(Cl)cc1C(O)c2ccccc2 -MOL_01_032231,NCc1cccc(c1)NC(N)N(CCC2)CC23CCN(CC3)C(N)c4cccc(F)c4 -MOL_01_032232,NCc1ccc(F)cc1C(=O)CC(CC23)C(CC2)CC3 -MOL_01_032233,Clc1cc(F)ccc1NC(=O)CCNC2=NCc(c23)cccc3 -MOL_01_032234,C=C(N)C12CC3CC(C1)C(C(C3)C2)NC(=C)C4(CC4)CNCc5ccccc5F -MOL_01_032235,CC(C)c1ccnc(c1CN)Nc2ccc(CN)cc2 -MOL_01_032236,O=C(O)CCc1cccc(n1)C2CCCC2Cc3ccc(F)c(F)c3 -MOL_01_032237,CC(=O)c1cc(nnc1Cl)-c2ccc(CO)cc2 -MOL_01_032238,NCc(cc1)c(CN)c(c12)C(=C)N(N=C2)CCCNCc3ccccc3CN -MOL_01_032239,NCc1ccccc1C(=O)Cc2ccc(nc2)CC(=O)C3CCCCC3 -MOL_01_032240,NCC(N)C(CC1)CCC12CCC(CC2)c3cccc(c3)-c4ccccc4 -MOL_01_032241,CCCC(=O)c1cc(C)nc(CC)c1CN -MOL_01_032242,Cc1cccc(c1C)C(=N)NCC(c2ccc(CN)cc2)N3CCCCC3 -MOL_01_032243,c1cccc(c12)cc(c(c2N)N(N)CN)-c3ccc(N)cc3 -MOL_01_032244,NCC(=N)c1ccc(cc1)C(=N)C2CNNC(C2)Cc3ccc(F)c(F)c3 -MOL_01_032245,NCc1ccc(c(c1)CN)NC(N)CNC(N)Cc2cccc(c23)cccc3 -MOL_01_032246,CC(O)NCCc1cc(O)cc(c12)cc3c(c2)CCC3 -MOL_01_032247,CN(C)c1cccc(c12)c(ccc2)CNc3ccc(N)cn3 -MOL_01_032248,c1ccccc1NCc2ccc(cc2)CNCn3cnc(c34)cccc4 -MOL_01_032249,NCc1ccc(cc1CN)CCN2CN=C(NC2)CCc3ccc(Cl)c(Cl)c3 -MOL_01_032250,CNC(=N)C1CCN(CC1)C(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_032251,NCc(c1C)c(=N)oc(c12)cc(cc2)NCc3ccccc3 -MOL_01_032252,CC(=N)NN(NN1)NNC12NCC(CN2)c3cc(F)cc(Cl)c3F -MOL_01_032253,CC(C)CN1CCN(CC1)C(O)CN(C)c2ccc(cn2)CN -MOL_01_032254,Oc(c1)cc(O)c(c12)c(cc(c2)O)CCCC3CCC3 -MOL_01_032255,NNc1ccccc1C(C(N)c2ccccc2)c(c3)ccc(c34)cccc4 -MOL_01_032256,NC(O)c1ccc(nc1)Cc2ccc(cc2)CCNCc3ccccc3 -MOL_01_032257,FC1(F)C(C1)C(N)NC2CCC(CC2)CCN3CCC(CC3)c4cccc(c45)CNC5 -MOL_01_032258,Cc1ccc(cc1Cl)Nc2cnccc2NC(=O)C(C)(C)C -MOL_01_032259,c1cc(F)cc(c12)CC(C(=N)CC)C2C(=N)CCc3ccc(F)cc3 -MOL_01_032260,C1CCCC1NC(=N)C2(C)CCC(=N)N2Cc3ccccc3 -MOL_01_032261,CNC(=O)CNC(=O)CCc1cccc(c12)cccc2 -MOL_01_032262,NCc1ccc(cc1CN)C(N)N2CCC(CC2)N3CCN(CC3)c4ccccc4 -MOL_01_032263,CCCCC(N)c1ccc(C)cc1CC(N)c2ccccc2Cl -MOL_01_032264,Nc1ccc(Cl)cc1CC(=N)CC(CN)C(=N)CCCc2ccccc2 -MOL_01_032265,CC(N)C1CCC(CC1)C(N)c2ccc(cc2)-c3ccccc3 -MOL_01_032266,CC(=O)NCCC(=O)c(c1C)ccc(c12)cc(cc2)-c3ccc(F)cc3 -MOL_01_032267,NCc1c(N)cc(cc1)NC(=O)C(C)(C)CCc2ccc(CN)cc2 -MOL_01_032268,Fc1cc(ccc1)CC(=N)N2CCCCC2Cn3cc(N)cn3 -MOL_01_032269,CCNc(n1)c(NCC)nc(c12)cc(C)c(c2)CCCCN -MOL_01_032270,CC(C)(C)c1nnc(n12)CCC(=N2)c3ccccc3 -MOL_01_032271,c1ccccc1NC(=O)C2CCNCC2COc3cccnc3 -MOL_01_032272,C1CCCN=C1CCCC(N)CCCC(N)c2ccccc2Cl -MOL_01_032273,CCc1ccc(Cl)cc1NCc2ccc(cc2)NC(=O)C -MOL_01_032274,Cc1nc(N)c(cc1C)C2CCCO2 -MOL_01_032275,Nc1cc(ccc1)NC(=N)C(N)N2CC=C(CC2)c3ccccc3 -MOL_01_032276,CC(C)c1c(C)c(C)cc(c1)CCC(N)C2CCC(CC2)C(N)c3cccc(CN)c3CN -MOL_01_032277,CCc1cccc(c1)OCC(=O)Nc2ccc(cc2)CNc3ncccn3 -MOL_01_032278,CCc(c1F)c(F)c(N)c(c12)c(N)cc(c2)-c3ccc(N)c(F)c3 -MOL_01_032279,c1ccccc1CCc2ccc(C)c(c2)NCCNC(C(=O)N)CC(C)C -MOL_01_032280,Cc1ccc(c(O)c1)C(=N)N(CC2)CCC23CCC(=N)N(C3)CCCO -MOL_01_032281,C12CC3CC(C2)CC(C1)C3NC(N)C4CCCN4Cc5ccccc5 -MOL_01_032282,NCc1cc(CN)ccc1NC(=C)CN2CCCN(CC2)Cc3ccc(CN)cc3 -MOL_01_032283,Cc1ccc(cc1)C(C(N)O)NC2CCN(CC2)Cc3ccccn3 -MOL_01_032284,CCCCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)CNc3nccc(n3)C -MOL_01_032285,C1CNCCN1c2cc(NCC)c(cc2NCC)NC(=N)c3cc(C)cc(C)c3 -MOL_01_032286,CNc1c(NC)cc(cc1NC)CC(N)C(C2(C)C)=C(C)CCC2 -MOL_01_032287,c1cnccc1C(N)Nc2ccc(cc2)CCc(n3)ccc(c34)cccc4 -MOL_01_032288,CC(=O)CC(C(=O)O)CC(=O)c1c(C)cccc1Cl -MOL_01_032289,c1ccccc1CC(N)C(=O)OCc2cn(cn2)-c3ccc(Cl)cc3 -MOL_01_032290,CC1CCN(CC1)Cc2ccc(cc2)NC(=N)CCNC(=N)c3ccc(Cl)cc3 -MOL_01_032291,c1ccccc1C(OC(C)N)CCC2CCC(CC2)c3cccc(N)c3 -MOL_01_032292,CC1CCC(CC1)N2C(=N)CC(=N)N(C2=N)CCc3cccc(Cl)c3 -MOL_01_032293,COc1cc(OC)cc(c1)N(C)Cc(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_032294,CCOc1ccc(cc1CO)C(=O)Cc2cccc(C)c2 -MOL_01_032295,COC(N)c1ccc(cc1)NC(N)CN2CCN(CC2)c3cccc(Cl)c3 -MOL_01_032296,CCCCC(NCCC)C(O)Nc1cccc(C)c1C -MOL_01_032297,CCN1CCN(CC1)C(=N)C(c2ccc(C(C)(C)C)cc2)Cc3ccc(cc3)C(=N)NCCC(=N)O -MOL_01_032298,CC1CC(C)CN(C1)Cc2ccc(cc2)C(=N)CCC(=N)NCCN3C(=N)CCC3=N -MOL_01_032299,Nc1c(N)nc(nc1C)C2CCC(CC2)Cc3ccccc3 -MOL_01_032300,CCCC(O)N1CCN(CC1)C2=C(O)C(O)=C2NCc3ccc(F)cc3 -MOL_01_032301,CCn1c(C)nnc1CCC(=N)Nc2cccc(c2)C(C)(C)C -MOL_01_032302,CC(=O)Nc1ccc(cc1)CNc2ccc(c(c2)CN)Cc3ccc(Cl)c(c3)CN -MOL_01_032303,CCc1ccc(cc1CC)NC(N)CCNC(N)c2ccccc2Cl -MOL_01_032304,CC(=O)CCc1nnc(n1-c2ccccc2)CCc3ccc(C)cc3 -MOL_01_032305,NCc1ccccc1CNC(=C)CN(CC)c2ccccc2CN -MOL_01_032306,CCc1ccccc1CNC(=O)CCC(=O)c2cnc(C)cn2 -MOL_01_032307,C1CCCCN1C(N)c2cc(c(Cl)cc2Cl)CN3CNCNC3 -MOL_01_032308,Cc1cccc(c1)C(N)Cc2cncc(n2)Cc3ccc(C)nc3 -MOL_01_032309,c1ccccc1C(N)Cc2cccc(c2)C(N)C3CCCCC3 -MOL_01_032310,O=C(O)CCCC(=O)NC(C)C(=O)CC(C)Cc1ccc(cc1)-c2ccccc2 -MOL_01_032311,Clc1ccc(cc1)N(C2=N)C(=N)c3cccc(c3c24)c(N)cc4 -MOL_01_032312,c1cc(N)ccc1C2(CC(CC2)CCN)Cn3cncn3 -MOL_01_032313,Clc1ncc(cc1)C(N)OCC(N)C2CCC(CC2)c3ccccc3 -MOL_01_032314,CNC(N)c1cccc(c1)NC(N)N2CCC(CC2)Cc3ccccc3F -MOL_01_032315,CCC(C)c1c(C)nc(nc1C)CCC(=O)N2CCCCCC2 -MOL_01_032316,Nc1ccc(cc1N)CCC(N)C2CCC(CC2)CCc3ccncc3 -MOL_01_032317,NCc1cc(CN)ccc1C(=N)C2CCCN(C2)C3CCCCCC3 -MOL_01_032318,Nc1nc(ncc1)CCc(cc(N)c2)c(c23)ccc(c3)CCc4ccccc4 -MOL_01_032319,CC(C)(C)NC(O)C(NC1)Cc(c12)cccc2 -MOL_01_032320,NCCCC(CC1(N)N)=C(C(C1)=C)C(=C)CCCC(C2=C)C(=C)c(c23)cccc3 -MOL_01_032321,Cc1ccc(cc1)C(N)Nc2cccc(c23)cc(cc3)Cc4cncc(c4)C(N)N -MOL_01_032322,Cc1cc(F)ccc1CC2(C(C)O)CCN(CC2)Cc3nccn3C -MOL_01_032323,NCc1ccc(cc1)NC(N=2)=NC(=O)C(C23)=NC=N3 -MOL_01_032324,Cc1nc(CN)c(CN)c(C)c1C(N)c2cccc(c2)Cc3ccccc3 -MOL_01_032325,COCCn1cnnc1CCC(O)Nc2cccc(c2)CN(C)c3ccccc3 -MOL_01_032326,Cc1ccccc1C(O)c2c(C)nn(C)c2N -MOL_01_032327,NCc(c1)c(CN)cc(c12)CCC=C2c3c(Cl)cccc3Cl -MOL_01_032328,Fc1ccc(cc1)C(O)CCC(O)c2cccnc2Cl -MOL_01_032329,CCCc1cccc(c1C(=N)N)NCc2ccccc2C(=N)N -MOL_01_032330,Cc1ccc(c(c1)OC(C)C)NC(O)c2cnccn2 -MOL_01_032331,CCCC(=O)N(C12)C(CC1)CC(C2)NCCNC(=O)NC3CC3 -MOL_01_032332,Cc(c1)ccc(c12)cc(C)c3c2C(N)CC3N 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-MOL_01_032402,CC(C)CC(=N)N(CC1)CCC1(N)CCc2ccc(Cl)c(Cl)c2 -MOL_01_032403,NCc1ccc(cc1)CC(N)n(c2N)cc(c23)cccc3 -MOL_01_032404,CC(C)(C)c1cc(ccc1Cl)NCc(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_032405,CC(C)(C)c1cccc(c1)C(=O)NCCCn2cnc(n2)NF -MOL_01_032406,CC1(C)CC(CCN)CN1C(=N)CCc2ccccc2 -MOL_01_032407,Clc1ccc(cc1Cl)CCN(CCC)CC(O)NOc2ccc(cc2)NCN -MOL_01_032408,NCc1ccc(cc1)CCc2nnc(n2-c3ccc(CN)cc3)CCc4ccc(Cl)cc4 -MOL_01_032409,c1cccc(c12)c(=N)n(cn2)CCC3CCCCC3 -MOL_01_032410,NC(=O)Cc1ccc(C2CCCCC2)c(c1)C(=O)Cc3cccc(N)c3 -MOL_01_032411,NCc1ccc(cc1CN)C(=N)N2CCC(CC2)N3CCN(CC3)c4ccccc4 -MOL_01_032412,CCC1C(=O)CCC12CCC(CC2)NC(=O)c3ccncc3C -MOL_01_032413,CC(=N)Nc1ccccc1C(=N)NC(C)CCc2ccccc2 -MOL_01_032414,CCOC(=O)c1ccc(cc1)Cc2cc(ncn2)CC(=O)CCC(=O)O -MOL_01_032415,Cc1ccc(cc1Cl)C(N)Nc2cccc(c2)C(N)N3CCCCC3 -MOL_01_032416,Cc1cc(ccn1)C(O)Nc2ccc(cc2)C3CCCNC3 -MOL_01_032417,O=C(N=1)C=c(c12)cc(cc2)CNCC(=O)NCCc(c3)ccc(c34)CCC4 -MOL_01_032418,CCC(N)Cc1c(C)cc(N)c(c12)cccc2C -MOL_01_032419,Cc1ccc(cc1)NCc2nnc(n2C)CCC(=O)NCCc3ccccc3 -MOL_01_032420,CC(C)CCN1C(N)C(C)=C(C1)C(N)NCCCc2ccc(Cl)c(Cl)c2 -MOL_01_032421,c1ccncc1CNC(C(C)C)CNC(C)C(C=2)=CC(C23)=CC(=C3)CCCC4CCNCC4 -MOL_01_032422,NCc1ccc(cc1)CNC(=C)C(=C)NCC(N2CCCCC2)c(c3)ccc(c34)CCC4 -MOL_01_032423,c1ccccc1CNC(C)C(=N)NC2=CC=C(CC2)c3ccc(Cl)cc3 -MOL_01_032424,CCCc1ccc(cc1)NC(O)c2cccc(c2)-n3cnnn3 -MOL_01_032425,CC1CCCN(C1)C(=N)c2ccc(cc2)NC(=N)N(C3)Cc(c34)cccc4 -MOL_01_032426,NCc1ncncc1C(=N)C2CCCC(CC2)Cc3ccccc3N -MOL_01_032427,CCc1ncc(cn1)C(=O)C(CC2)CCC23Cc4c(CC3=O)cccc4 -MOL_01_032428,Cc1ccccc1C(=N)c2cnn(c2)C(=N)NCc3ccc(Cl)cc3 -MOL_01_032429,FC(F)(F)c1cnc(cc1)Cc2ccc(CN)c(c2)CC3CNNC3 -MOL_01_032430,NCc1ccc(Cl)cc1C(CC2N)Cc(c23)cccc3 -MOL_01_032431,NCc1ccc(cc1)CCC(N)CC2CCC(CC2)CC(N)c3cccc(c3)CN -MOL_01_032432,CCc1ccc(cc1)-c2ccc(cc2)C(N)NCC(N)N(C3)Cc(c34)cccc4 -MOL_01_032433,CC(=O)C1(N)CCC(=N1)c2ccc(cc2C)CCCCCCCCN -MOL_01_032434,Cc1ccc(c(N)c1)C(CC2(C)C)CC2CO -MOL_01_032435,NCNC(=C)c1cc(Cl)c(cc1F)CNCC2CCCC2 -MOL_01_032436,NCCCCc1c(N)nc(nc1O)N2CCCCC2 -MOL_01_032437,Cc1ccc(c(C)c1C)NC(N)N2CCCN(CC2)Cc3nccn3C -MOL_01_032438,O=C1NCCN1c2ccc(cc2)CNc(c3)ccc(c34)CCC4 -MOL_01_032439,NC(N)c1ccc(cc1)-c2ccc(cc2)CC(N)N(C)Cc3cccc(c3)-c4ccccc4 -MOL_01_032440,Cc1nc(C)c(nc1C)CN2CCN(CC2)C(O)c3ccccc3ON -MOL_01_032441,NCc1ccc(cc1)C(N)Cc2cccc(c2)-c3ccccc3 -MOL_01_032442,CN1CCN(CC1)C(N)c2ccccc2Nc3ccc(CC(F)F)cc3 -MOL_01_032443,NC(N)Cc1nc(Cl)nc(c12)cccc2 -MOL_01_032444,CC(C)(C)c1cccc(c1)C(=O)C2CCCC(CC2)C(=O)CCN -MOL_01_032445,CC(N)CCC(N)c1ccc(cc1)NCc(c2)ccc(c23)CCC3 -MOL_01_032446,O=C(O)CN1C(=O)/C(CC1=C)=C/C(CN)=C/c2ccc(F)cc2 -MOL_01_032447,N=C1CCCN1c2ccc(cc2)C(=N)N3CCN(CC3)c4ccccc4N -MOL_01_032448,Fc1ccccc1NC(N)C2CN(C2)C(N)c(c3)ccc(c34)CNC4 -MOL_01_032449,C12CCC(CC1)CC2NC(=N)c(c3)cc(n34)cc(Cl)cc4 -MOL_01_032450,CN(C)CCCC(N)Cc1cccc(c12)c(N)c3c(c2)cccc3 -MOL_01_032451,C1CCCCC1C(O)NCCc2ccc(cc2)NC(O)N(C3)Cc(c34)cccc4 -MOL_01_032452,CCNc1ccncc1-c2ccccc2ON -MOL_01_032453,NCc1nc(nc(c1Cl)C)N(CC(=C)CN)Cc2ccc(C)cc2 -MOL_01_032454,FCC(N1)NCc(c12)cc(cc2)CNC34NC5NC(N3)NC(N5)N4 -MOL_01_032455,c1ccccc1-n2nc(cc2N)Cc3ccc(F)cc3F -MOL_01_032456,C1CCCC1C(N)c2cc(C)cc(c2)C(N)C3CCCC3 -MOL_01_032457,Clc1cc(ccc1)C(N)CCCCCn2cncn2 -MOL_01_032458,C1CC(N)CCC12Cc3c(C2N)cccc3 -MOL_01_032459,C1CCNC1C(=O)OCc2cn(cn2)-c3ccc(NF)cc3 -MOL_01_032460,N=C(N)c1ccccc1N(C)C(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_032461,CC(C)CC(N)N(CC1)CCC12CC(C2)CCCCc3ccc(nc3)C(N)NC4CC4 -MOL_01_032462,CC(N)c1ccccc1-c2ccccc2C(N)Cc3ccccn3 -MOL_01_032463,CCc1cc(O)n(n1)Cc2ccc(cc2)NC(C)O -MOL_01_032464,Cc1ccc(cc1C)NC(=N)CN2CCC(CC2)NC(=N)c3ccccc3F -MOL_01_032465,CCCc1ncccc1CNC(C)NCCNC(C)c2ccco2 -MOL_01_032466,Cc1cc(Cl)ccc1NC(=N)C(CN)c2ccccc2 -MOL_01_032467,CCCC1(CC(=O)C)C(=O)Cc(c12)c(CC(=O)C)cc(c2)CC -MOL_01_032468,CCCNC(=O)C1CNNN(C1)C(=O)c2ccc(C(C)(C)C)cc2 -MOL_01_032469,Clc1ccc(cc1)CCCc2n(CC)c(nn2)CCC(O)Nc3cccc(c3)N(C)O -MOL_01_032470,NOc1ccccc1CC2CCC(C2)c3nccc(n3)N -MOL_01_032471,O=c1ccc(C(F)(F)F)cn1CC(=O)CCC(=O)NCc2ccccc2 -MOL_01_032472,CCc1ccccc1CNC(O)CCc2cccc(c2)-n3cnnn3 -MOL_01_032473,Cc1cc(N)cc(c12)cc(cc2)NC(N)CCc3ccc(cc3)NC(N)CC(C)(C)C -MOL_01_032474,Cc1ncccc1NC(=O)CC2CCCC2 -MOL_01_032475,NCC(=O)c1ccc(cc1)CCCC2C(=NCC3)C3c(c24)cccc4 -MOL_01_032476,N=C1NC(=N)Cc(c12)cc(cc2)Cc3ccc(cc3)-c4ccc(F)cc4 -MOL_01_032477,C1NC(C)Cc(c12)ccc3c2C=CC(C3)(N)N -MOL_01_032478,CC1(C)NC(=N)N(C1=N)CC(NC=N)COc2ccc(cc2)-c3ccc(OC(F)(F)F)cc3 -MOL_01_032479,CC(=N)N1CCN(CC1)C(=N)CCc2cc(C(C)(C)C)c(N)c(c2)C(C)(C)C -MOL_01_032480,Clc1ccc(cc1Cl)CC(=N)C(N)Cn2nc(N)cc2N -MOL_01_032481,Cc1nn(c(C)c1Cl)C(N)c(c2)ccc(c23)cccc3 -MOL_01_032482,NCc1cc(F)c(cc1F)Oc2ccc(cc2CN)CNc3ccc(F)cn3 -MOL_01_032483,CCCC(=O)C(C)Cc(n1)cnc(c12)cccc2 -MOL_01_032484,CC(C)(C)c1cccc(c1Cl)C(N)N2CCN(C(N)C2)CC3CCCC3 -MOL_01_032485,CCNC(O)c1nnn(c1CC)Cc2ccccc2 -MOL_01_032486,Nc1ccccc1C(=N)C2CCC(CC2)CCc3ccccn3 -MOL_01_032487,NCc1ccc(cc1)CCCNCCNCc(c2)ccc(c23)cccc3 -MOL_01_032488,NCc1ccc(cc1)CN(C)C(C)C(N)Nc2cccc(c23)cccc3 -MOL_01_032489,NOC(=N)c1c(C)n(cn1)-c2cccc(N)c2 -MOL_01_032490,Clc(c1)ccc(c12)cc(O)c(CO)c2-c3ccccc3 -MOL_01_032491,Fc1cc(ccc1)CC2(C(N)CCC)CCC(CC2)C(N)c3cnc(C)cn3 -MOL_01_032492,c1cccc(c12)C=C(C2=N)C(C)CC(C3=N)=Cc(c34)cccc4 -MOL_01_032493,NCc1ccccc1C2CCN(CC2)CC(CC3N)CCc(c34)cccc4 -MOL_01_032494,CC(C1)C(C)Cc(cc(N)c(c2)N)c2c(c13)cc(N)c(c3)N -MOL_01_032495,COc1ccc(cc1OC)CC(O)Nc2ccc(cc2)CNc3ncccn3 -MOL_01_032496,Cc1cccc(c1)NC(=O)c2cccc(c2)Cc3cccnc3 -MOL_01_032497,NCc1ccc(cc1CN)C(C(C)C)(CN)CCCCN(C)CC23CC4CC(C2)CC(C4)C3 -MOL_01_032498,Cc1cc(nc(n1)C)C(O)CCC(O)NCc2ccccc2 -MOL_01_032499,c1cccnc1CN(C2O)CC(N23)CN(CC3)C4CCCCC4 -MOL_01_032500,CC(C)(C)c1cc(CCCN)cc(c1)-c2ccc(N)cc2 -MOL_01_032501,CCc1ccccc1CNc2ccc(cn2)CN -MOL_01_032502,CC(=O)C(C)Cc1ccc(cc1)Cc(n2)cnc(c23)ccc(c3)N -MOL_01_032503,NCc1c(CN)cc(cc1CN)CCC(=O)CCC(=O)Nc2c(F)cccc2F -MOL_01_032504,NCc(c1)c(CN)cc(c12)C(=N)C(C2)CC3CCN(CC3)Cc4ccccc4 -MOL_01_032505,Cc1ccc(cc1)C(N)n2nc(N(C)C)nc2N(C)C -MOL_01_032506,NCc1cc(N)cc(c1)-c(c2N)ccc(c23)cc(N)cc3 -MOL_01_032507,CCOc1ccc(cc1)Oc2ccc(cc2CN)CNc3ccc(F)cn3 -MOL_01_032508,Nc1ccc(cc1N)-c2cccc(c2)C3CCCCC3 -MOL_01_032509,Cc1ccc(cc1C)-n2nnnc2CCC(=O)NCCc3ccccc3 -MOL_01_032510,Clc1ncccc1C(N)CCc2ccc(cc2)CCC(N)c3cccnc3Cl -MOL_01_032511,Nc1cccc(N)c1C(C(N)CC)Cc2ccccc2 -MOL_01_032512,C1CCCCN1C(=N)c2ccc(cc2)N(C3=N)C(=N)c(c34)cccc4 -MOL_01_032513,CCCCCc1c(CN)ccc(c12)C(=CCC2)c3cc(CN)c(CN)c(c3)CN -MOL_01_032514,NCc1cc(Cl)c(c(Cl)c1)C(N)Nc2ccnc(c2)NC(N)C3CC3 -MOL_01_032515,Cc1ccc(cc1)NC(O)c2ccccc2NC(O)C3CCCCC3 -MOL_01_032516,CCc1cccc(c1)CNC(N)c2ccc(cc2)NC(N)C3=C(C)CCCC3 -MOL_01_032517,CC(C)c1cc(CCCO)nnc1C(=O)CC2CCCCC2 -MOL_01_032518,NC(N)C(C)Nc1cccc(c1)Nc(n2)cnc(c23)ccc(Cl)c3 -MOL_01_032519,CC1(C)CC(CC(N1)(C)C)NC(N)c2ccc(cc2CC)Cc3ccccc3CN -MOL_01_032520,CCc1ccccc1C(N)NCC(N)Nc(c2)ccc(c23)CCC3 -MOL_01_032521,Cc1cccc(c1)CCNC(=O)Cc2ccc(cc2)NC(C3)=NC(C34)CCC4 -MOL_01_032522,CC(C)Oc1ccc(cc1F)CNC(=N)CCN2C(=N)CCC2=N -MOL_01_032523,Clc1ccc(cc1)C2(C(O)NC(O)N2)c3ccc(Cl)cc3 -MOL_01_032524,NCc1ccc(cc1CN)C(=N)C(C(C)=N)CCC2CCN(CC2)Cc3cccc(C)c3 -MOL_01_032525,C1CCCN1CC(N)Nc2cccc(c2)C(N)Nc3cccc(C(F)(F)F)c3 -MOL_01_032526,c1ccccc1C(C)NC(=O)CCC(=O)C2(C)CC2(Cl)Cl -MOL_01_032527,CCOC(=N)Cc1nn(C)c(=N)c(c12)cccc2 -MOL_01_032528,Cc(n1)nc(Cl)c(c12)COC(N2)O -MOL_01_032529,Cc1cccnc1NC(=N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_032530,CC(N)c1cc(ccc1)-c2cc(ccc2CC)C(N)Cc3ccncc3F -MOL_01_032531,COc1ccccc1C(C2O)C(O)c(c23)cccc3 -MOL_01_032532,c1ccccc1CC(N)C(O)OCc2cn(cn2)-c3ccc(NO)cc3 -MOL_01_032533,Cc1cccc(n1)CCc2cncc(c2)-c3ccno3 -MOL_01_032534,Clc1cc(ccc1)C(O)CNC(O)c2cnccc2C(F)(F)F -MOL_01_032535,Nc1nc(ccc1)NC(N)c2cc(C)c(cc2)-c3cccnc3 -MOL_01_032536,CCC(O)C(O)c1c(C)c(C)cc(c12)cc(F)cc2F -MOL_01_032537,NNc1ccccc1C(=N)Nc2cccc(c2)NC(=N)C34CC5CC(C3)CC(C5)C4 -MOL_01_032538,CC(C)(N1)C=Cc(c12)cc(cc2)CNc3ccc(C(=N)N)cc3 -MOL_01_032539,Cc1cccc(C)c1N(CN)CC(O)N2CCN(C)CC2 -MOL_01_032540,Cc1nn(CC(C)C)c(C)c1C(O)NC2CCCC2 -MOL_01_032541,CCc(c1)ccc(c12)C(N)(N)CC2CC(N)Cc3ccccc3 -MOL_01_032542,CC(O)NC(C)Cc1ccc(cc1)CCc2ccnc(n2)N(C3)CC3(F)F -MOL_01_032543,CC(N)c1ccc(cc1)C2CCC(CC2)C(N)c(c3)ccc(c34)CCC4 -MOL_01_032544,Cc1cc(C(=N)N)ccc1OC(O)c2ccc(o2)CC(C)C(O)O -MOL_01_032545,c1ccccc1C(CCC(=N)NN)NCNCC(Cl)(Cl)Cl -MOL_01_032546,CCCCC(O)N1CCN(CC1)c2ccccc2CN -MOL_01_032547,Cc1cccc(Cl)c1Cn2cnc(c2)C(=O)NCCCCN -MOL_01_032548,c1ccccc1CCN(C)C(N)Cc2cc(C(N)O)cc(c23)c(ccc3)Oc4ccccc4 -MOL_01_032549,CNC1CC(C(=O)N1C)CC(=O)Nc2cccc(Cl)c2Cl -MOL_01_032550,CCCC(O)c(c1O)cc2C=Cc(c2c13)cc(c3)C -MOL_01_032551,CC(C)CC(C(=O)N)NC(=O)NCc1cn(cn1)C(c2ccccc2)c3ccccc3 -MOL_01_032552,CC1=C(C(C)N)C(C(C(C)N)=C(C)C1)c2ccccc2 -MOL_01_032553,Cc1ccc(c(C)c1)NC(N)C2CCCN2 -MOL_01_032554,C1CCCC1NCc2cc(C)c(cc2)-n3cnnn3 -MOL_01_032555,C1CC1NC(=O)CNC(=O)Nc2c(F)cccc2Cc3ccccc3 -MOL_01_032556,CCC(N)c1cccc(c1)CC(N)CCc(c2)ccc(c23)cccc3 -MOL_01_032557,CCCCN(CC1(C)C)C(N)C1Cc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_032558,NCCCCCCCCCNC(C1N)=CC(N)c(c12)cc3c(c2)cc4c(c3)cccc4 -MOL_01_032559,Cc1cccc(c1)OCC(=N)Nc2ccc(cc2)C(=N)NCc3cccnc3 -MOL_01_032560,Cc1ccccc1CC(=O)c2cc(C)c(C)c(c2)N(C)O -MOL_01_032561,c1cccc(c12)c(nnc2C)C(O)NNc3c(Cl)cc(Cl)cc3Cl -MOL_01_032562,CCc1ccccc1C(O)NCC(O)Nc(c2)ccc(c23)CCC3 -MOL_01_032563,CC(=O)Nc1ccc(cc1)NC(=O)CCC(N2)=NCc(c23)cc(Cl)cc3 -MOL_01_032564,Fc1ccc(cc1)-c2ccc(N)cc2CCCCn3cnc(N)c3 -MOL_01_032565,CC(N)C1CCC(CC1)CCC(N)c2cc(N)cc(c23)cccc3 -MOL_01_032566,CNc1cccc(c1N)C(=N)NCC(=N)NC(C)CCc2ccccc2 -MOL_01_032567,NCc1ccc(cc1)CC2CCN(CC2)C(=O)C(N)Cn3cccn3 -MOL_01_032568,CCc1ccc(cc1)C(C)NC(=NC2=O)CC2(CC)CC -MOL_01_032569,CCc1cc(CC)cc(c1)C(N)NCC2(CN)CCN(CC2)CCc3ccccc3 -MOL_01_032570,Cc(c1)ccc(c12)cc(cc2O)-c3cccc(c3)CN -MOL_01_032571,NCCCc1cc(C)c(c(c1)C)Cc2cc(c(N)cc2CN(C)C)Nc3ccc(CN)cc3 -MOL_01_032572,CC(O)c1ccc(cn1)C(O)Nc2ccccc2CN -MOL_01_032573,CCc1c(C)c(CC(O)ON)cc(c1O)-c2ccc(C)cc2 -MOL_01_032574,Cc1ccc(cc1)C(N)(N)CCC(N)NCc2ccc(F)cc2 -MOL_01_032575,Fc1cc(ccc1)C(N)Nc2cccc(c2)CN3CCC(CC3)C(N)NC4CCCCC4 -MOL_01_032576,Cc1cccc(c1)CCc2ccc(cc2)N(C3N)C(N)c(c34)cccc4 -MOL_01_032577,Cn1cc(cn1)CCC(O)N2CCCN(CC2)c3nccc(n3)ON -MOL_01_032578,Cc1ccc(CN)cc1C(O)CCCC(O)C2CCC2 -MOL_01_032579,c1ccccc1CN(C(C)C)CCC(N)c2cccnc2 -MOL_01_032580,COc1ccc(cc1OC)C(N)NCC(N)N2CC=C(CC2)c3ccccc3 -MOL_01_032581,Nc1cc(ccc1)CC(=N)c2ccc(nc2)-n3ccnc3 -MOL_01_032582,NCc1ccc(Cl)cc1NC(=N)C(C)Nc2ccc(cc2)-c3ccccc3 -MOL_01_032583,Cc1ccc(cc1)NC(=N)CC(C(=N)N2)Nc3cccc(c3c24)ccc4 -MOL_01_032584,Cc1cccc(c1N)C(N)Cc2cccc(Cl)c2 -MOL_01_032585,CNCc1ccc(cc1)NC(=N)C2c(cccc3)c3Cc(c24)cccc4 -MOL_01_032586,CC1CCC(CC1)c(c2)cc(O)c(c23)cc(CO)cc3CO -MOL_01_032587,CC(C)(C)c1ccc(nc1)CCCCC(N)c2ccccc2C(N)O -MOL_01_032588,Clc1ccccc1C(CC(=O)C)CC(=O)c2cc(C)ccn2 -MOL_01_032589,CC(C1)Cc(c12)cc(N)cc2C(=O)N -MOL_01_032590,O=C1CCC(N1)C(=O)Cc2cccc(c23)cccc3 -MOL_01_032591,c1ccccc1CN(C(C)C)C(=N)CNC(=N)c(c2)ccc(c23)NCCN3 -MOL_01_032592,Cc1cccc(c12)cc(cc2O)-c3ccc(cc3)NC(C)O -MOL_01_032593,CCCC(O)c1nnc(C)c(c12)cccc2 -MOL_01_032594,CCC(CC)CCCC(=N)c1ccccc1N -MOL_01_032595,CCCc1ccc(cc1)NC(N)C2CCC(CC2)CNC3=C(N)C(N)=C3N4CCCCC4 -MOL_01_032596,Cc1ccc(c(C)c1)C(CC2N)Cc(c23)cc(CO)cc3C -MOL_01_032597,CCC1(CC)CC(=O)C(C1=O)CC(=O)OC(C)C(=O)Cc2ccc(Cl)cn2 -MOL_01_032598,CCCCCN(CC1(C)C)C(N)C1Cc2ccc(CN)c(C(F)(F)F)c2 -MOL_01_032599,NCCC(=C)C1CCCN(C1)C(=C)c2ccc(cc2)CNc3ccccc3CN -MOL_01_032600,CC(C)(C)c1ccc(ON)c(c1)NC(O)Cn2cnnn2 -MOL_01_032601,NCc1c(Cl)cc(cc1CN)CC2CCC(CC2)CCC(=O)CC3CC3 -MOL_01_032602,c1ncnn1C(C)C(O)N2CCN(CC2)c3ccccc3Cl -MOL_01_032603,NCC(N)c1cc(CN)c(nc1C)CCc2ccccc2 -MOL_01_032604,c1ccccc1CNC(=N)C2CCCN2C(=N)C3=CCCC3 -MOL_01_032605,CC(C)c1ccc(cc1)NC(=N)c2ccc(cc2)NC(C3)=NC(C34)CC=C4 -MOL_01_032606,Cn1nc(C(C)C)c(c1CC)CNC2CCN(CC2)C(N)C3CC3 -MOL_01_032607,Cc1ccc(cc1)Nc2nc(N)nc(N)c2Cc3ccccc3 -MOL_01_032608,c1ccccc1OC2=NC(=NN(C2)C)CCC(=O)Nc3ccc(Cl)cc3 -MOL_01_032609,Cc1cccc(C)c1NC(N)CNCCCC(N)N(c2ccccc2)c3ccccc3 -MOL_01_032610,c1cccc(c12)ccc(c2)NC(=N)C(N)N3CCC(CC3)n4ccnc4 -MOL_01_032611,Cc1ccc(cc1)NNc2c(N)nn(c2N)-c3ccc(Cl)cc3 -MOL_01_032612,CCc1ccc(cc1)C(O)Cc2cc(O)c(C)c(O)c2C -MOL_01_032613,CCC(=O)c1ccccc1CNC(=O)Nc2nc(C)cc(n2)C -MOL_01_032614,c1ccccc1COC(O)Nc2ccc(cc2)C(O)N3CCN(CC3)c4ncccn4 -MOL_01_032615,Cc1ccc(cc1C)-c2cc(N)cc(c2)C3NCCCN3 -MOL_01_032616,CCC(C)(N)C(=O)Cc1ccc(cc1)CCNc2ccc(Cl)c(Cl)c2 -MOL_01_032617,NCCCCc1c(C(N)N)nc(n12)cccc2 -MOL_01_032618,CC1(C)CC(C)=NN1c2nc(N)nc(n2)NCc3cc(C)c(Cl)cc3C -MOL_01_032619,NCc1ccc(cc1)CCNC(=O)CCC(=O)CCc2ccccc2 -MOL_01_032620,C1CC(N)c(c12)ccc(c2C)C(C)CN3CCN(CC3)CCc4ccc(CN)c(c4)CN -MOL_01_032621,C1CCc(c12)ccc(c2)C(C)NC(=O)NC3CCCCC3 -MOL_01_032622,Cc1cc(C)c(c(C)c1)CN2CCC(CC2)C(=N)NCc3cccnc3 -MOL_01_032623,CN(C)C(=O)CCC(=O)c1cc(Cl)cc(Cl)c1N -MOL_01_032624,Clc1ccc(cc1)C(NCN)CNC(O)c2cccc(Cl)c2 -MOL_01_032625,CCCC(=O)C1CCN(CC1)Cc(c2)ccc(c23)oc(=O)cc3 -MOL_01_032626,CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)C4CCC(CC4)Cc5cccc(NF)c5 -MOL_01_032627,Cn1nccc1C(O)Nc2cccc(c2)CN3CCOCC3 -MOL_01_032628,CC(C)C(=N)NC(N1)c(cc(N)cc2)c2C13NCC(CN)CN3 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-MOL_01_032909,CNc1ccc(cc1)C(O)Nc2cccc(c2)CCc3cncc(c3)C(N)O -MOL_01_032910,c1ccc(Cl)c(c12)=C(O)N(C)N(C=2O)CCN -MOL_01_032911,FC(F)(F)CNC(O)CNc1cc(F)ccc1CC(F)F -MOL_01_032912,CCCCNN(O)CNC1CN(O)NC1CN2CCN(CC2)c3ccccc3 -MOL_01_032913,NC1(N)C(N)=Nc(c12)ccc3c2cccc3 -MOL_01_032914,CCCCC(O)Cc(c1)ccc(c12)c(C)cc(c2)O -MOL_01_032915,Clc1ccc(cc1)-n2c(N)c(cc2N)CNCCc3ccccc3 -MOL_01_032916,NC(N)CC(N)c1ccc(cc1)CN2CCC(C2)c3ccc(cc3)CNCCF -MOL_01_032917,COc1ccc(cc1CCN)C(n2cncn2)c3ccc(OC)c(c3)CCN -MOL_01_032918,Nc1cc(N)ccc1CC(=N)CCC2(CCCC2)C3CCCCC3 -MOL_01_032919,CC(=O)c1cc(F)c(C)cc1CCC(=O)Cc2ccccc2C(=O)C -MOL_01_032920,NCc(c1)ccc(c12)CC(=O)CC2(C(C)(C)C)CCC3CC3 -MOL_01_032921,CC(N)NC(C)Cc1ccc(cc1)CCc2ccnc(n2)N3CCCCC3 -MOL_01_032922,CC(C)C1CC(=O)C(C1)C(=O)Nc2ccccc2CN -MOL_01_032923,c1cccc(c12)ccn2CCC(N)C3CCC(CC3)Cc4cccnn4 -MOL_01_032924,CCc1ccc(nc1)C(CCC2)CC2(CO)CCOc3ccccc3 -MOL_01_032925,NC(N)C1CCC(CC1)C(=O)c2ccc(nc2)Cc3ccc(Cl)cc3 -MOL_01_032926,COc1cc(OC)cc(c1)C(=N)N2CCN(CC2)C(=N)c3ccc(cc3)-c4ccccc4 -MOL_01_032927,CCc1ccccc1NC(N)c2ccc(cc2)NC(N)CN3CCCCC3 -MOL_01_032928,CCc1c(CC)cc(cc1CC)C(O)CCc2cnc(N)nc2N -MOL_01_032929,CCNC(=N)C1=C(CCNC1)c2ccc(Cl)c(Cl)c2 -MOL_01_032930,OCCOCc1ccc(O)cc1O -MOL_01_032931,CN(O)C(C)Cc1ccc(cc1)Cc(n2)cnc(c23)ccc(Cl)c3 -MOL_01_032932,CC(C)(C)c1cccc(c1)CC(N)c2cc(ccn2)Oc3cccnc3 -MOL_01_032933,CCCC(C)CC(=O)c([n+]([O-])c1)cc(c12)c3c(cc2)cccc3 -MOL_01_032934,NOc1ccnc(n1)Cc2ccc(Cl)c(c2)OCc3cccc(F)c3 -MOL_01_032935,N1CCN(C)CC1(N)c(c2)ccc(c23)c4c(cc3)cccc4 -MOL_01_032936,NCc1ccccc1CNCCCCCCC(=O)Nc2cc(Cl)nc(Cl)c2 -MOL_01_032937,NCn1cc(c(n1)N)CC(CCC2)CC2(NO)CCc3ccccc3 -MOL_01_032938,Oc1nc(O)c(c(Cl)n1)C2=CCCCC2 -MOL_01_032939,CC1(C)CC(CC(C)(C)N1)NC(N)c2ccc(c(Cl)c2)Cc3ccccc3CN -MOL_01_032940,CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CN(C)Cc2ccc(cc2)NC(=O)C -MOL_01_032941,NCc1cnc(cc1)C(C)NC(N)Cc2ccc(C(C)(C)C)cc2 -MOL_01_032942,COc1ccc(cc1OC)CC(O)Cc2ccccc2C(C)O -MOL_01_032943,NCc1c(CN)ccc(c1C)C2=CCCCC(=C2)c3ccccc3 -MOL_01_032944,NCc1ccc(cc1)-c(c(N)c2N)cc(c23)cc(F)cc3 -MOL_01_032945,C1CCCCC1NC(=C)CCC(=C)c2nnc(CC)nc2CC -MOL_01_032946,NCc1cccc(c1)-c2cncnc2Cc3ccccc3 -MOL_01_032947,C1CCc(c12)ccc(c2)C(C)(N)NC(N)Nc3ccc(Cl)cc3 -MOL_01_032948,N=C(N)C1(C)CCN1C(=N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_032949,Fc1ccccc1CNC(=C)Nc2ccc(CN)c(c2)CNc3ccc(CN)cc3 -MOL_01_032950,c1ccccc1CCCCc2n(C)c(nn2)CNC(=O)Cc3ccc(CN)cc3 -MOL_01_032951,Nc1cccc(c1N)CC(=O)C2CCCC(C2)C(=O)CCc3ccccc3 -MOL_01_032952,C1NNCc(c12)ccc(c2)NC(N)C3CCN(CC3)CCc4ccccc4 -MOL_01_032953,Nc1cccc(c1)CCc(c2)ccc(c23)C(=O)CC(C3)(N)N -MOL_01_032954,Cc(n1)c(C)nc(c12)ncc(N)c2C -MOL_01_032955,c1ccncc1C(=N)c2cc(Cl)ccc2CCc3ccc(C(N)(N)N)cc3 -MOL_01_032956,CN(C)C(=N)CN1CCC(=NC1)c2cnn(c2)Cc3ccccc3 -MOL_01_032957,CCNC(=N)C(CCC)Nc1ccc(cc1)C(=N)NCC -MOL_01_032958,CCCc(c1)cc(CC(C)N)c(c12)c(N)cc3c2cccc3 -MOL_01_032959,CC(C)(C)C(O)Nc(n1)nnc(c12)cc(cc2)NO -MOL_01_032960,NCc1ccc(cc1)C(=N)NCC2(CCCCC2)N3CCCCC3 -MOL_01_032961,Cc1ccc(c(C)c1)C(C)CCC(=O)Cc2cccnc2CN -MOL_01_032962,Nc1ccc(cc1)C2C(C(N)NC3CCC3)C(c4ccc(N)cc4)C2C(N)NC5CCC5 -MOL_01_032963,C1NCNC1CN2CCC(CC2)C(O)Nc3cccc(c3)-c4cccc(Cl)c4 -MOL_01_032964,CNc1ccc(cc1)CCC(=O)Nc2cnn(c2)CCCC(=O)C -MOL_01_032965,CC(=O)c1cc(Cl)c(C)cc1CCC(=O)Cc2ccccc2C(=O)C -MOL_01_032966,CCc1ccc(cc1)NC(=N)N(C23)C(CCC2)CC(C3)NC(=N)c4ccccc4 -MOL_01_032967,c1ccccc1C(N)N2CCN(CC2C)Cc3cc(Cl)ccc3CNN(C)N -MOL_01_032968,C1CCCC1N(CC(N)N)C(N)C(C2)Cc(c23)ccc(Cl)c3 -MOL_01_032969,c1nnnn1C(=O)C2CCC=C2CCc3cccnn3 -MOL_01_032970,CCNc1ccc(cc1)C2=N/C(C(=N)N2)=C/c3ccc(C(=N)N)cc3 -MOL_01_032971,Cc1ccc(c(c1)CN)N(C)Cc2cccnc2 -MOL_01_032972,NCc1ccc(cc1)NC(O)N2CCN(CC2)c3cccc(Cl)c3 -MOL_01_032973,c1cccc(c12)C(=N)N(C2)CC(N)CNc3ccc(Cl)cc3 -MOL_01_032974,Cc1cccc(C)c1CNc(c2)ccc(c23)c(cc(c3)C(N)N)-c4ccc(N)cc4 -MOL_01_032975,Cc1cccc(Cl)c1Cn2cnc(c2)C(=O)NCCON -MOL_01_032976,CNc(c1)cc(NC)c(c12)nc(C)c(n2)C -MOL_01_032977,c1cncn1CCCN2CC(O)N(CC2)Cc3ccc(Cl)cc3Cl -MOL_01_032978,c1ccccc1CC(C(=N)O)NC(=N)c2ccc(cc2)-c3ccccc3 -MOL_01_032979,CC(=O)c1cccnc1Nc2ccc(CC(F)(F)F)cc2 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-MOL_01_033034,Cc1ccccc1CC2CNNNC(C2)CC(=N)c3cccc(Cl)c3 -MOL_01_033035,CCc1ccccc1C(=O)CCC(=O)NC(=O)NCc2ccccc2 -MOL_01_033036,NOc1ccc(Cl)cc1C(O)NCCNc2cnccn2 -MOL_01_033037,c1ccncc1NC(=N)c2cc(C(F)(F)F)ccc2CNc3ccc(F)cc3 -MOL_01_033038,Nc1ccc(Cl)cc1CC(N)CCc2ccccn2 -MOL_01_033039,c1ccccc1CCC(C)CNCCNC(=O)CCc2ccccc2 -MOL_01_033040,COc1ccc(cc1)-n2nnnc2CCC(O)Nc3nnn(n3)C -MOL_01_033041,c1cccc(c12)CC(=O)CC2C(=O)CCC(=O)CCC(=O)c3ccc(Cl)cc3 -MOL_01_033042,Nc1cccc(c1)-c2cccc(c2)CC(N)NC3CCCCC3 -MOL_01_033043,NCC(C)C(C)NCc1cccnc1Cc2ccccc2CN -MOL_01_033044,CNC(O)CCCC(O)Nc1cc(CC(C)C)c(Cl)cc1Cl -MOL_01_033045,C=Cc1c(C)cccc1NCCCc2nc(-c3ccc(N)c(O)c3)cn2CCN4CCCC4 -MOL_01_033046,c1cnccc1C(CC(C)C)C(C2=O)=NC(=O)c(c23)nc4c(c3O)ccc(Cl)c4 -MOL_01_033047,CCNc(n1C)c(ncn2C)c2c(c13)nc(n3)-c4cccc(c4)C(C)NC(=O)C -MOL_01_033048,c1ccc(OC)c(c12)C(=O)C(=C(C)C2=C)CCC(=O)NC(C(=C)OC)Cc3ccccc3 -MOL_01_033049,CC1=NC=C(C12C3CC3)C=CC(=C2)Oc4ccncc4C(=O)N5CCN(C6CC6)c(c57)cccc7 -MOL_01_033050,C1NC1(C)c2ccc(cc2)-c3cn(-c4ccccc4)c(n3)-c5ccc(N)nc5 -MOL_01_033051,COc(c1)ccc(c12)N=C3C2=C(C#N)C(=NC3=O)c4cccnc4 -MOL_01_033052,COC(=C1)C(C=C2)(OC)C=C(C123)c4ccc(cc4)c5c3nc6c(n5)cccc6 -MOL_01_033053,Oc1ccc(cc1)/C=c(c2=O)\sc(n23)=Nc4c(C=C3C=C)c(C(=O)C)ccc4 -MOL_01_033054,C1CCCc(c12)c3c(o2)nc(n(c3=O)CC=C)OCC(=O)Nc4cc(C)on4 -MOL_01_033055,C1CCCCN1Cc2cc(ccc2OC)/C=N/N(C3=O)C(=O)N=C(C3=4)c5c(N4)ccc(F)c5 -MOL_01_033056,COC12C=CC(C=C1)(C=C2OC)c3noc(c34)ncn(c4=O)-c5ccc(cc5)N6CCOCC6=O -MOL_01_033057,c1cccc(c12)C(=O)N(C2=O)CCOC(=O)C(C(=N3)C)=C(C=C4)C34C(=O)OC(C)c5ccccc5F -MOL_01_033058,COc1c(OC)cc(cc1OC)C(=O)C(=C23)c4c(=N2)/c(c(OC)cc4)=C\C=C/N(C3)C -MOL_01_033059,CC(C)(C)C(=O)Nc1nnc(s1)-c2ccc(c(c2)C(=O)O)N3CCOCC3 -MOL_01_033060,C1=CC=C(C12C)N(C=N2)c3ccc(cc3OC)-c4cn(nn4)Cc5cccc(c5)-n6cccn6 -MOL_01_033061,CCs(s1)c2cccc(c2c13)C(=O)P(C3)C(CP45)C(CC4)CC5 -MOL_01_033062,c1ccncc1CCCOC(=O)C2CCCCN2S(=O)(=O)c3c(c4c35)c(c5)C(F)=C4 -MOL_01_033063,Nc1nc(N)nc(c12)ccc(c2)CCC(=C)N3CCN(CC3)c4ncccn4 -MOL_01_033064,COc1c(S)cc(cc1)CNc2nnc(NCc3ccccc3)c(c24)C=C5C4=CN=C5CC -MOL_01_033065,COc1ccccc1-c2ccc(c3n24)c(N)c(n3)C(=O)N4 -MOL_01_033066,COc(c1)ccc(c12)ncc(=O)n2CCN(C3)CCC(C34)NCc5ccc6c(c5)N(N4)C(=O)CC6 -MOL_01_033067,CCN1CCN(CC1)Cc2c(nnn2C3=NC(=N4)C34N)C(=O)N/N=C(\C)c5ccc(Cl)cc5 -MOL_01_033068,CS(=O)(=O)N1CCCC(C1)N2C(=O)N=c(c23)cnc=4c3C=CN4 -MOL_01_033069,NCC1(CC1)c2ccc(cc2)-c3c(O)cc(F)c4=NC(=O)C(C5=c34)=NC=C5 -MOL_01_033070,CNC(=O)c1ccccc1Nc2c(C(F)(F)F)nnn(c23)nc(c3)-c4ccc(nc4)N5CCOCC5 -MOL_01_033071,N=1C=C(C)c(c12)c3c(nc2CC)=CC(=C3)c4cccc(c4)CNC(=O)C -MOL_01_033072,CNC(=CC1)NC12c3c(cccc3)N(OC)C2Nc4ccccc4 -MOL_01_033073,Fc1cccc(c12)=C(C(=O)OCC)C=2S(=O)(=O)N3CCN(CC3)c4cccc(Cl)c4 -MOL_01_033074,c1cccc(c12)C=C3C(C2=O)=C(c4ccncn4)N=C3Cc5ccc(O)cc5 -MOL_01_033075,CCN(C1)CCc(c12)oc3c2c(=O)n(c(n3)[IH]C)-c4ccccc4 -MOL_01_033076,Fc1ccc(cc1)C(C)NC(=O)n(c23)n4c(c2)c(cn3)c(n4)OCCO -MOL_01_033077,c1ccccc1CC(NC(C)CCCC)C(=O)N2CCC(CC2)OCOC -MOL_01_033078,COc1cccnc1-n2c(nc(c23)CCC3)C(O)Cc4ccccc4N(C)C -MOL_01_033079,C1=CC(O)=C(C123)C(C)=C/C2=C\C=C\NC(=O)CNC(=O)c4c5c6c(cc4)/C(=C/3)C5CC6 -MOL_01_033080,COc(c1)cc(=C2)c(=C3N)c1SC23C(=O)c4cc(OC)c(OC)c(c4)OC -MOL_01_033081,C\1=C\C=C/CN(CC)S(=O)(=O)c(ccc(c2)C(=O)N3)c2/C=C(\C134)C=C5C(=C4)OCO5 -MOL_01_033082,c1cccc(c12)NC(=O)C\2=C3/CC(=C)N(C3=O)C(C(=O)O)Cc4ccccc4 -MOL_01_033083,CC(O)CPc(n1C)nc(c12)n(C)c(=O)p(c2=O)Cc3ccccc3 -MOL_01_033084,COC1=NN=C(C1=2)N=CC2NC(=O)c3c(F)ccc(c3F)NS(=O)(=O)c4cc(F)ccc4F -MOL_01_033085,N#CCC(=O)N1CCCC(C1)N2C(=O)N=c(c23)cnc=4c3C=CN4 -MOL_01_033086,COc1c(OC)c(OC)cc(c12)CCC2C(=CC34OC)C(=C3)C=C4O -MOL_01_033087,c1cccc(n12)cc3c2C(C)(C)CC(C=C3C(=C)NC(C)C)C(=C)N4C=NN(C)N=C4 -MOL_01_033088,c12ccc(OC)c(c1)OCC3c4c(CC3)c(OC)ccc4S(=O)(=O)N5CCC(CC5)C(=O)N2 -MOL_01_033089,COC(=NC1)OC12c3c(cccc3)N(OC)C2Nc4ccc(C)c(C)c4 -MOL_01_033090,c1ccncc1C(N=2)=CC(C23)=C(N=C3C)c4cccc(n4)N5CCCC(N)C5 -MOL_01_033091,COc1ccccc1N(S(=O)(=O)C(C=C23)=C(C2)C=C3C)CC(=O)Nc4ccccc4C(F)(F)F -MOL_01_033092,CC1(C)C(C1(C)C)C(=O)Nc2cc(C)c(C)c(c2)S(=O)(=O)N(C3F)C(CO4)=CC=C34 -MOL_01_033093,O=C(O)C(N=1)=CC(=O)c(c12)c3c(cc2)=S(O)c4c3cccc4 -MOL_01_033094,CN(C)C(=O)C(C=1)=c(c12)nc(nc2)Nc3ccc(cn3)N(C4)C(=O)OC45CCCNCC5 -MOL_01_033095,Cc1onc(C)c1S(=O)(=O)N(C23C=CC(C=C2)(C=C3)OC)CC(=O)Nc4ccc(C)c(F)c4 -MOL_01_033096,c1ccccc1N(S2(=O)=O)C(C)=Cc(c23)c(ccc3)C(=O)NCC4(N(C)C)CCCCC4 -MOL_01_033097,CC(C)n1c(C)nc(c12)C(=O)c3c(C2=C)cccn3 -MOL_01_033098,CCOc1c(P(=O)O)c(n(C)c1C)N(CC)Cc2ccc(Cl)nc2 -MOL_01_033099,COc1ccccc1OCC(=O)Nc(c23)cc(cc2)C4=C5C(N(C3=O)CC5)=CCC4 -MOL_01_033100,CC1=C(C=C1)CNc2ncnc(c23)C=C3C(=O)N4CCCCC4c5cccnc5 -MOL_01_033101,Cc1ccc(o1)C(N2)NC(=O)c(c23)c4c(o3)CN(C)CC4 -MOL_01_033102,CC(C)CC(S(O)O)NC(=O)C(NC(=O)C1CCC1)Cc2ccccc2 -MOL_01_033103,FC(F)(F)c1cc(ccc1)-n2c(=O)/c(sc2=C)=C/c3ccc(o3)-c4cccc(C(=O)O)c4OC -MOL_01_033104,CCCC1=C(C(=O)OC)N=c(c12)c(N)cc=3c2N=NC3 -MOL_01_033105,CCOCCCNC(=O)c1ccc(cc1)CN(C(=S)N=2)C(=O)C(C23)=Nc4c3cc(cc4)OC -MOL_01_033106,O=C(O)C(CC1)n(c12)c(=O)cc(c2NS(=O)(=O)C)Cc3cccc(c34)cccc4 -MOL_01_033107,NC(=C1)NCC(CCO2)C12c3cc(ccc3F)NC(=O)c4ccc(F)cn4 -MOL_01_033108,COc1ccc(Cl)cc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)c5c(N4)cccc5 -MOL_01_033109,COC(=O)c1c(F)cccc1C(C=C23)=C(C2)C(F)=C3CNC(=O)C(O)C(F)(F)F -MOL_01_033110,Nc1cc(O)ccc1-n2c(-c3ccc(N)cc3)c(C)c(c2)-c4cn(nn4)Cc5ccccc5 -MOL_01_033111,N=1C=NC(=O)C(C12)=C(C)N=C2c3cc(NS(=O)(=O)C)ccc3Oc4ccccc4 -MOL_01_033112,c1ccoc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)cc(Cl)c(c3)N4CCOCC4 -MOL_01_033113,Oc(c1)ccc2=CC(=O)C(C3=c12)=Nc4c3cc5c(c4)OCO5 -MOL_01_033114,CN1C(=O)N(C)C(=C)c(c12)n(cn2)CC(=O)Nc3ccccc3OCC -MOL_01_033115,CC(C)COC(=O)C(O1)(C=C2)C=C(C123)OOc4cccc(c4Cl)OCC(=O)N3 -MOL_01_033116,CC(C)n1c(=O)p([P])c(=O)c(c12)cc(F)c(c2F)P3CCC([P])C3 -MOL_01_033117,CC(C)Cc1ccc(cc1)C(=NC(C23)=NC(N)=NC3=O)C=2c4ccccc4 -MOL_01_033118,COc1ccc(cc1)C(=C(C2=3)C(=O)N=C(N3)N)C(=N2)c4ccc(O)cc4 -MOL_01_033119,C1COCCN1C(=O)c2c(C)c(C(=O)OC)c(s2)BC(=O)c3ccccc3OC -MOL_01_033120,C1=CC(Cl)=C(C1=2)N=C(N2)c3c(nc(n34)nccc4)-c5ccccc5 -MOL_01_033121,COC(=O)CCc(c1)cnc(c12)C(=O)C(=C2N)C(=O)NCc3ccc(F)cc3F -MOL_01_033122,c1ccccc1O[N+]2([O-])C(c3ccccc3)C(c4ccccc4)=NN2c5ccccc5 -MOL_01_033123,Fc1ccc(cc1)C2=C(C)C=C2c(n3)ccc(n34)nc(c4)NC(=O)c5cc(O)ncn5 -MOL_01_033124,CCOCCn1nc(CC)c(c12)nc(PC3CCPCC3)nc2Pc4cc(C)ccn4 -MOL_01_033125,O=C1S=SC(=C12)CCn3c2c4c(c3O)cccc4 -MOL_01_033126,NC(=O)C12C3=C4C(=C1)c5c4c(ccc5)c6ccc(cc6)OCC(O)CN(C3)CC2 -MOL_01_033127,Nc1ccccc1-c(cn2C)c(c23)cc(cc3)-c4cncc(c4CCC)N5CCNC5=O -MOL_01_033128,CCCNc(c1F)c(CCC)cc(c12)c(co2)N3C(=O)OCC3C(O)CO -MOL_01_033129,COc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C=C(N4)c5ccco5 -MOL_01_033130,CCc1cc(cc(C)c1N)N(C2)CC(C(=O)N(C)C(N)=C3)C23c4ccccc4 -MOL_01_033131,CC(=O)NC1=NN(C(=O)C)C(O1)c2cc(c3n(c24)ncn4)cccc3 -MOL_01_033132,CC1=CC(=O)N=C(C1=2)N=NC2c3cnc(s3)-c4cccnc4 -MOL_01_033133,CCC1(C(=O)O)C=C(OC)C(=C2)COc(c3CC(\C=C\12)C)ccc(c3O)C(=O)Oc4ccccc4 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-MOL_01_033147,C1C=c(c=12)cccc2C(=O)NC(C(=O)O)Cc3cnc(c34)c5c(cc4)oc(cc5)-c6ccccc6 -MOL_01_033148,c1ccccc1C(=C(C23)C(=O)N=C(N=2)N)C(=N3)c4ccc(F)cc4 -MOL_01_033149,O=C1N=CC=c(c12)c=3c(c4c2cc(F)cc4)N=C(N3)c5ccccc5Cl -MOL_01_033150,CC1(C)CCCCC1N2C(=O)N=c(c23)cnc=4c3C=CN4 -MOL_01_033151,c1ccpcc1C(=O)Pc(sc(c23)CCCCC3)c2C(=O)P4CCOCC4 -MOL_01_033152,CC(C)OC1=CC(=C1)n2cnc(c23)ccc(n3)NC(CO)c4ccc(F)cn4 -MOL_01_033153,COc1c(F)cc(F)c(OC)c1C(=O)NC(CCN23)/C(C2)=C/C(C)=C(\C)c4c(C3)c5ccc4cc5 -MOL_01_033154,Cc1ccn(C)c(=O)c1C23C=CC(C=C2)(CC3)CC(C(=O)O)NC(=O)c4c(F)cccc4F -MOL_01_033155,c1ccccc1C=2C(c(cc3)ccc3O)=NOC(C24)=c5c(=CN4)cccc5 -MOL_01_033156,c1ccncc1C(=O)NC2=Cc(c3C(N24)=CCC4)c(OC)c(cc3)OCC(O)CN5CCOCC5 -MOL_01_033157,Nc1ncc(C)c(c12)CC(=C)C2(C)Nc3ccc(C)nc3 -MOL_01_033158,C1CCCCN1CCC(=O)N2CCN(CC2)CCNc3c(CCCC4)c4nc(c3=5)=CC=C=C5 -MOL_01_033159,CC(C)OCCCNc(nc(n12)c(C)ccc1)c(c2=O)/C=C3\SC(=B)N(C3=O)CCC -MOL_01_033160,ONC(=O)C1(CO)OC(CO)c(c(C2)c3)ccc3C#CC#Cc(cc4C1=2)ccc4 -MOL_01_033161,Cc1ccccc1N2C(=O)C=C(C2=3)C(=O)N(C(N3)=O)c4ccccc4 -MOL_01_033162,CNC(=O)CCCNc1ccc(c(c1)OC)C(N=2)=NC(=O)C(C23)=C(N=N3)C4CCCCC4 -MOL_01_033163,N1=CC=C1c2nnc(n2C3=C(C)C=C3)SCC(=O)Nc(c4)ccc(c45)OCO5 -MOL_01_033164,OCCCCCC(=NC1=O)N=C(C1=2)N=C(C2c3ccccc3)C(=O)c4ccccc4 -MOL_01_033165,C=CCN1C(=O)C/C(C1=O)=C2\C(=O)Nc(c23)cccc3 -MOL_01_033166,COC12C(=C1)C=C(C=C2)C(O3)CC(=O)c(c34)c(O)c(c(c4)O)CC=C(C)C -MOL_01_033167,N#CCCCC(N=1)=NC(=O)C(C12)=C(c3ccccc3)C(=N2)C(=O)c4ccccc4 -MOL_01_033168,c1ccccc1C(N(O)c(c23)ccc(Cl)c3)=C(N2O)C(=O)NCCc4ccccc4 -MOL_01_033169,C1CCc(c12)nc(C)nc2NCC(=O)Nc3ccccc3C(F)(F)F -MOL_01_033170,COc(cc1)ccc1C=2C(c(cc3)ccc3OC)=NOC(C24)=c5c(=CC4)cccc5 -MOL_01_033171,Clc1ccccc1C(N=2)=NC(C23)=c4c(=NC3=O)cc(cc4)-c5ccccc5 -MOL_01_033172,c1ccccc1CP(C(=O)c(c23)scc3)S(=O)(=O)P2Cc4ccc(F)cc4F -MOL_01_033173,CC(C)CNC(=O)c(ccc12)c(c1Cl)/C=C3\CC(O2)CCN3C(=CC=C45)C(C4)CCC5 -MOL_01_033174,OOc1cc(CO)ccc1C(C2=O)C(=C)C(\c(c23)cccc3)=C\NOc4ccccc4 -MOL_01_033175,CN1C(=C)N(C)C(=C)c(c12)c(nc(n2)C(C)C)CCC(=O)c3ccccc3 -MOL_01_033176,CCOCCCN(Cc1ccco1)C(=O)C(C=2)=CC(C23)=c4c(=NC3=O)ccc(c4)C -MOL_01_033177,Clc1cc(cc(F)c1)NC(=O)c2nc(C)c(o2)C3(C)CC(=NO3)c4ccccc4 -MOL_01_033178,Cs1cc(cs1)-c(c2C(=O)O)ncc(c23)CN(CC3)CC4CCOC4 -MOL_01_033179,O=C(O)C1=CC(C)=C(C1=2)N=C(N2)c3c(F)c(F)c(c(F)c3F)-c4cc(F)cc(F)c4 -MOL_01_033180,c1cccc(c12)C(=O)C(=C2)c(n3)cc(c(c34)cc(C)c(F)c4)CNCCCn5ccnc5 -MOL_01_033181,Cc1ncc(n1C)-c2cccn(c2=O)CC3CNCCOC3c4ccc(O)c(N)c4 -MOL_01_033182,C=1C=Cc(c12)c3c(=NC=N3)c(n2)CC4CNC(CN4)Cc5ccccn5 -MOL_01_033183,O=C(N1)CC(N)Cc(c(F)cc2)cc2/C(O)=C(/COCC3)C13c4ccccc4 -MOL_01_033184,COC(=O)Nc1nc2cc(c3)c(=O)c(nc4c(cc5)c3c2n15)cc4COC(=O)c6ccccc6 -MOL_01_033185,O=C(O)C(C1=C)=CN(CC)c(c12)nc(nc2)N3CCN(CC3)C(=C)Nc4cccc(N)c4 -MOL_01_033186,c1ncoc1-c2ccc(cc2OC)N3CCC(C3=O)C(=CC=C4)C(=C5)C45OC -MOL_01_033187,c1ccccc1-c2c(C)n(c(n2)-c3nc(co3)C(=O)O)-c4ccccc4 -MOL_01_033188,C1NCCOc(c(OC)cc2)c(OC)c2C13Oc4c(OC3C)cccc4 -MOL_01_033189,Cc1c(C)nnc(c12)oc(c2N)C(=O)NC3CN(C3)C(=O)Oc4ccccc4 -MOL_01_033190,C#CCCC(N=1)=NC(=O)C(C12)=C(c3ccccc3)C(=N2)C(=O)c4ccccc4 -MOL_01_033191,Cc1nsc(C)c1-c2ccccc2CPc3c(C)nc(n34)c(ncc4)N5CCOCC5 -MOL_01_033192,Cc1ccc(cc1)NC(=C)N/C=C\2C(=O)N(c(c23)ccc(c3)N)CN4CCCCC4 -MOL_01_033193,O=C(C)CC=1C=C(CC(=C)C)C(C12)=Cc3c(C2=O)cc(CC(=O)C)c(c3)CC(=C)C -MOL_01_033194,c1ccccc1C(N(O)c(c23)ccc(F)c3)=C(N2O)C(=O)NCc4ccccc4 -MOL_01_033195,C1CCCCN1S(=O)(=O)c2ccc(OC)c(c2)NC(=O)Cn3cnc(c34)C(=O)N(C4=O)C -MOL_01_033196,C1CC(=O)OC(\C)=c(/c2c13)c(o3)ccc2OCc(c4)ccc(c45)cccc5 -MOL_01_033197,COc1ccccc1NC(=C2)c(c23)c4c(cccc4)nc3-c5cccc(N)c5 -MOL_01_033198,COc1cccc(c1)C(=O)N(C2(O)C(F)(F)F)C=C(C2)c3ccccn3 -MOL_01_033199,c1ccccc1CCN(C)C(=O)CN2C=C(/C=C/C(=O)O)C(=CC=C3)C23OCc4ccccc4 -MOL_01_033200,Cc1ccc(Cl)cc1CCCNC(=O)C2=NOC(=NC=N3)C23N4CCCC4 -MOL_01_033201,O=C(C)C1=CC=CC(C2)(C12O)NC(=O)CN(C(=O)N3)C(=O)C34CCCCCCC4 -MOL_01_033202,c1ccccc1C2=CC(NC(=O)c3ccc(O)cc3)C(=O)C4CCc(c4c25)cc(c5)OC -MOL_01_033203,Cc1ccsc1C(c2c(C)noc2C)CCCCc3ncnc(c34)n(C)nc4 -MOL_01_033204,CCOc1ccccc1-n2c(CCC(=O)N)nnc2-c3ccco3 -MOL_01_033205,N=1C=Cc(c12)c3c(cn2)=NC(=O)N3C4CCNCC4 -MOL_01_033206,CCCNC1=C(C=N1)c2cc(nc(n2)-c3ccccn3)-c4ccccc4OCC -MOL_01_033207,c1ccccc1Cn2c(NC(=O)OCC)cc(c23)c(N)nc(n3)OCCNC -MOL_01_033208,c1cccc(c12)c3n(nc(n3)C)c(n2)OCc4nc(cn4C)-c5ccccc5 -MOL_01_033209,O=C1N(O)C(=O)N=C(C1=2)C(=CC2)S(=O)(=O)c3ccccc3 -MOL_01_033210,c1ccoc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)cc(C(F)(F)F)cc3 -MOL_01_033211,COc1ccc(-c2cc(C)co2)cc1S(=O)(=O)C3CCOc(c34)ccc(c4)C -MOL_01_033212,CC(=O)Oc1ccccc1C(=O)NC(N2O)=C(C#N)N(O)c(c23)cc(F)cc3 -MOL_01_033213,c1ccccc1C(N(O)c(c23)ccc(c3)C)=C(N2O)C(=O)NCc4ccccc4 -MOL_01_033214,O=C1N=NC=C2N=C(C3=C12)c4c(CCC3)cccc4 -MOL_01_033215,Cc(o1)cc(c2)c(cc3c12)NC(=O)CN4CCCN(S4(=O)=O)Cc5c(\C=C\3)ccc(c5)C -MOL_01_033216,C=1C=CC(C12)=NC=C2C(=O)Nc3cc(ccc3C)-c4noc(n4)C5CC(C5)NS(=O)(=O)C -MOL_01_033217,COc(c1)ccc(c12)N=C3C2=NC(=S)N(C3=O)CCCCC(=O)NCCN4CCCC4 -MOL_01_033218,COC(C=C1)(C=C2)C(=C3)/C=C\c(c4C5C123)cc(O)cc4OC(=O)C5 -MOL_01_033219,C1C=CCC1N2C(=O)CN(CC2)C(=O)c(c3O)nc(n34)oc5c4cccc5 -MOL_01_033220,c1ccccc1C=2C(=NC(C23)=NC=NC3=O)C(=O)c4ccc(cc4)OCc5ccccc5 -MOL_01_033221,CCc(n1)cc(n12)nc3c(c2=O)=C4C(=C3)CCCC4 -MOL_01_033222,Cc1ccc(C)c(c1)Nc(o2)nn(c23)c(=O)c4c(n3)cc(cc4)C(=O)NCc5ccccc5 -MOL_01_033223,CCOC1=C(C=C1)C(=O)c(c2N3CN(CC)CC3)cnc(c24)cccc4 -MOL_01_033224,N1N(N2)C12CN3C(=O)N(CC3)c4cccc(c4)-c5cnc(n56)cc(cc6)-c7nccnc7F -MOL_01_033225,Clc1c(N)ncnc1C(=O)NC(C)C2=C(C=N2)C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3 -MOL_01_033226,FC12C=CC(C1)(C(Cl)=C2)Nc3ccnc(c34)cc(cc4)-c5ccc(o5)CN6CCOCC6 -MOL_01_033227,COc(c1)c(OC)cc(c12)C=3C(=N2)C(=O)N=CC3c4ccc(O)cc4 -MOL_01_033228,COc(c1)ccc(c12)N=C3C2=NC(=S)N(C3=O)CCCCCC(=O)NCCC(C)C -MOL_01_033229,COCCCc1n(CC)c(=O)c(c(n1)N)N(CCOC)CCOC -MOL_01_033230,Nc1cccc(Cl)c1C2NCc(n23)nc4c3cccn4 -MOL_01_033231,CCCCNC(=O)CCCCN(C(=S)N=1)C(=O)C(C12)=Nc3c2cc(cc3)OC -MOL_01_033232,COCCNC(=O)CCn1cc(C2CCCCC2)c(c13)ccc(c3)C(=O)NS(=O)(=O)N(C)C -MOL_01_033233,COc1ccccc1NC(=O)N/C=C2\C(=O)Nc(c23)c(N)ccc3 -MOL_01_033234,Oc1ccc(cc1)CC23N(C(=O)C(=O)NC2)CC(CC3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 -MOL_01_033235,COc(c1)ccc(c12)nc(Cl)c(c2)C3SC(NC(=O)C)=SN3C(=O)C -MOL_01_033236,CNn1cccc(c12)cc(N(C)N)c2CC(C)CNN3CCN(C)NN3 -MOL_01_033237,O1COCc(c12)c3c(cc2OC)C(C4CCC4)CN(C3)C(=O)CCNC(=O)c5ccccc5O -MOL_01_033238,COC(=O)c(c1)ccc(c12)N(O)C(C(F)(F)F)=C(N2O)C(=O)c(c3)ccc(c34)cccc4 -MOL_01_033239,COCCC(C=C)c1nc(ccc1F)NC(=O)c2ncc(C(F)(N)N)cc2O -MOL_01_033240,c1cc(C)nc(c12)N(CC)C=C(C2=C)C(=C)N/N=C/c3ccc(F)cc3 -MOL_01_033241,n1ccc(c12)c3n(cn2)C(=S)N=C3C4CCCCC4 -MOL_01_033242,CCOC(=O)C(CCN12)/C(C1)=C/C=c3\c4cccc(c4)c5ccc(c3c5)NC(=O)NC(C)(C)C2=O -MOL_01_033243,C=C(C)CCc1ccc(C)c(c1C)NCN2N=C(N=C(C)N2C)c3cc(N)ncn3 -MOL_01_033244,CC(=O)CCCN(C)CCCc1ccc(cc1-c2ccnn2C)NC(=O)c3cccc(c3)C45N(C4)N5 -MOL_01_033245,CCOC(=O)c1oc(c(C#N)c1C)NC(=O)C2c(cccc3)c3Oc(c24)cccc4 -MOL_01_033246,c1ccccc1-c(nc2C)nc(c23)oc(c3N)C(=O)c4ccc(F)cc4 -MOL_01_033247,CCCN(C1=O)C(=O)C(CCC)=C(C1=2)N=C(N2)C(CC3(C)C)CC(C)(C)N3O -MOL_01_033248,c1ccoc1CNC(=O)c(c2)ccc(c23)c(=O)n4c(n3)oc(n4)Nc5ccccc5 -MOL_01_033249,CC(O1)CC(=c2c13)C(=O)C=c2c(cc3)C(O)COCCc4ccc(cc4)CNCCc5ccccc5 -MOL_01_033250,O=C(N)C1(C)CCCN1C(=O)Nc2nc(C)c(o2)-c3ccnc(n3)N(C)CCN(C)C -MOL_01_033251,COC(=O)C1(C(C)C)OC(C(=O)NC)C(=C1)c2cc(OC)c(OC)c(c2)OC -MOL_01_033252,C=CCN1C(=O)O/C(C1=O)=C\C=C(C2(C)C)/N(C)c(c23)cccc3 -MOL_01_033253,Nc1cccc(c12)N=c3c2cc(C(=O)O)c4c3=NC=C4 -MOL_01_033254,c1ccsc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)ccc(F)c3 -MOL_01_033255,C=C(N)c(c(n1)N)cc(c12)C(=C)N(C)C(=C)N2C3CC3 -MOL_01_033256,C1CCC1CN(C(=O)C(C2=O)CC)c(n23)cc4c3cccc4 -MOL_01_033257,c1cccc(c12)CCP2C(=PS3(=O)=O)C(C)=C3c4ccc(F)cc4 -MOL_01_033258,O=C1N=NC(=O)c(c12)c(O)c3c(n2)ccs3 -MOL_01_033259,COc1ccccc1N2CCN(CC2)CCCN(C3=O)C(=O)N=C(C3=4)C=C(N4)c5ccccc5 -MOL_01_033260,CC(=O)c1ccc(cc1)N/C=C2\CCC(C)n(c23)c(=O)c(cc3)C(=O)O 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-MOL_01_033305,C1CCCN1C(=O)C2COCN2C(=O)CC(C3)CCc(c34)cccc4 -MOL_01_033306,c12ccc(OC)c(c1)C=3c4cc(C3)c(cc4)NS(=O)(=O)c5ccc(cc5)C(=O)N(C)CC(=O)N2 -MOL_01_033307,N#Cc1cccnc1N(C2)CCc(c23)sc(n3)-c4ccccc4 -MOL_01_033308,Fc(o1)cc(c12)c(nc(n2)N)N3CCN(CC3)C(=O)c4cccnc4 -MOL_01_033309,N1N(N2)C12c3ccccc3Cc(c4)c(N(C)C)cc(c45)n(cnc5=O)Cc6ccc(N)cc6N -MOL_01_033310,c1cccc(c12)cc3c(n2C)c4c(n3)c(C(=O)O)c(Cl)cc4 -MOL_01_033311,CCOC(=O)Pc(nc1F)cc(c12)SC(C)(C)C(=P2)c3ccccc3 -MOL_01_033312,Oc1ccc(cc1)C(C(=O)OCC)c2cnn(c2C(C)C)-c3ccccc3OC -MOL_01_033313,CC(C=1)=c(c12)cccc2-c3cnn(c34)cc(cn4)-c5ccc(cc5)N6CCNCC6 -MOL_01_033314,NC(=O)COc1c(Cl)cc(cc1OC)/C=C2\C/C(=N\c3ccccc3)N(C2=O)c4ccccc4 -MOL_01_033315,COc1c(OC)cc(cc1OC)C(=O)Cn(c2C)ccc(c23)c4c(n3)cccc4 -MOL_01_033316,CCc1cccc(c12)C(C(C#N)=C(O2)N)S(=O)(OC(C)C)OC(C)C -MOL_01_033317,COc1ccc(cc1)C2C=CCN(S(=O)(=O)c3cccs3)C(=O)N2Cc4ccc(F)cc4 -MOL_01_033318,FC(F)(F)c(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccco3 -MOL_01_033319,C=1N=Nc(c12)nc(=O)n3c2nc(n3)-c4cccc(Cl)c4 -MOL_01_033320,COc(c1)ccc(c12)N=C3C2=NC(=O)N(C3=O)N -MOL_01_033321,COc1ccccc1N2CCN(CC2)C(N3O)=C(C#N)N(O)c(c34)cc(Cl)cc4 -MOL_01_033322,COc1ccc(cc1)-c(n2)nc(n23)c=4c(nc3=O)N=NC4 -MOL_01_033323,COc(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)CC(=O)C(=O)Nc3cccc(Cl)c3C -MOL_01_033324,CCCCOc1ccccc1NCCNCC(N=2)=c(c23)cccc3C(=O)NC(CN45)C(CC4)CC5 -MOL_01_033325,Cc1ccccc1OCc(nc(c23)cccc3)n(c2=O)/N=C/C4=CN=C(C4=5)C=CC5 -MOL_01_033326,COC(=O)C(C=1)=c(c12)ncc(c2)NCc3cc(ccc3C)NC(=O)c4ccnc(C(F)(F)F)c4 -MOL_01_033327,Cc(c1)ccc(c12)N(O)C(=C(N2O)C(=O)OCC)c3ccccc3 -MOL_01_033328,c1ccccc1-n2nc(C)c(c2F)/C=N/NC(=O)c3ccccc3NS(=O)(=O)C4=CC=C4 -MOL_01_033329,O=C(O)CCCNC(=O)c1ccccc1NC23C=CC4=C(N=NC4=C2)/C=C\c5cccc(n5)/C=C\3 -MOL_01_033330,Cc1ccc(cc1)S(c(c23)ccc(F)c3)C(=O)/C2=C(\C)NNC(=O)c4ccc(C(=O)O)cc4 -MOL_01_033331,c1cccc(c12)CC(=C)CC(C)C2C(=O)Nc3cc(O)ccc3C -MOL_01_033332,C=1N=Nc(c12)nc(=O)n3c2nc(n3)-c4ccc(Cl)cc4 -MOL_01_033333,C=CN(C)C(C)C(=O)NC(Cc(ccc12)cc2)C(=O)NCC/C(=N\1)c3ccccc3OCCC -MOL_01_033334,CCOC(=O)c(c(=O)n1)nn(c12)c3c(o2)ccc4c3cccc4 -MOL_01_033335,CC(F)(F)c1cc(ccc1O)/N=C(\CCC2(O)C(F)(F)C)N2CCc3ccccn3 -MOL_01_033336,Oc1ccc(cc1)-c2cc(C(C=C3)=CC(=C4)C34O)nc(c2)-c5ccccc5O -MOL_01_033337,Clc(c1)c(Cl)cc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3ccco3 -MOL_01_033338,CN(C)CCn(c(c12)CCC2)c(=O)nc1OCC(=O)NCc3ccccc3 -MOL_01_033339,C=1N=Nc(c12)nc(=O)n3c2nc(n3)-c4ccc(O)cc4 -MOL_01_033340,c1ccsc1C(C)N(C/C(=C\2)OC)/C(O)=N\C(C=C3)=CC(C234)=CO4 -MOL_01_033341,FC(F)(F)c1nc(ncc1)Nc2cc(C)cc(c2)-c3cnc(o3)C4(CN)CCNC(=O)CC4 -MOL_01_033342,NCCN(C1=O)COc(c12)cc3c(c2)CC4N(C3=O)CCC4 -MOL_01_033343,CNCCN(C)C(=O)c1ccc(c(c1)-c2ccccc2)NC(=O)C3=CC=C(C3=4)C(=O)N=CN4 -MOL_01_033344,CCC(=O)c(c1)cnc(c12)ccc(c2)-c3cc(F)c(O)c(F)c3 -MOL_01_033345,Nc(c1)ccc(c12)N=C3C2=NC(=NC3=O)CN4CCC(O)C4 -MOL_01_033346,COc1ccccc1NC2=C(C(=O)N)C(=N)C(O2)C(=O)Nc3cccc(Cl)c3 -MOL_01_033347,CN1CCCC1Cc2ccccc2CNCC(=O)NC(C(=O)N)Cc3ccccc3 -MOL_01_033348,CNC(C)C(=O)Nc(o1)nc(c12)C(CC2)C(=O)NC(c3ccccc3)c4ccccc4 -MOL_01_033349,CCOc1ccccc1C(N=2)=NC(=O)C(C23)=NN=C3c4ccccc4 -MOL_01_033350,CCOC(=O)CC(N1O)=C(C(=O)OCC)N(O)c(c12)cc(cc2)C(=O)OC -MOL_01_033351,O=C(O)C(C1=O)=Cc(c12)cc(c(O)c2C)N3CCNC(C)C3 -MOL_01_033352,Cc1ncc(cc1)CC(=C)Cn(c2=N)ccc(c23)c(C)cn3CC -MOL_01_033353,c1cccc(c12)c3c(n2)n4c(nn3)NCCC4 -MOL_01_033354,CCC(C=C1)=C(C1=2)N=C(C2)c3cc(cc(C)c3F)NC(=O)c4cccnc4 -MOL_01_033355,Cc(c1)ccc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3ccco3 -MOL_01_033356,Oc1ccc(cc1)Cn2c(cc(c2NCC)C(=O)NCC)CCc3ccccc3 -MOL_01_033357,COc1ccc(cc1)Nc2cnn(c(=O)c2Cl)-c(o3)nc(c34)cccc4 -MOL_01_033358,COC(=O)c(cc12)oc(c1)c(Cl)cc2S(=O)(=O)Nc(c3)ccc(c34)OCO4 -MOL_01_033359,CCCNc1nnc(-c2cnccn2)n1-c3cccc(c3)OC -MOL_01_033360,Cc1nn(C)cc1CNC2=C(C(=N2)C)c3ccn(n3)CC(O4)COc(c45)cccc5 -MOL_01_033361,C/1=C(C)/C=N\C=N/C=C\1c2cc(n(n2)C(C3)CC3(F)F)C4CCN(C)C(=O)C4 -MOL_01_033362,Oc(c1)ccc2=CC(=O)C(C3=c12)=Nc4c3cccc4 -MOL_01_033363,NCc1ccc(cc1)C(=O)N(CC2)CCC23c4c(C(=N3)N)c(Cl)ccc4 -MOL_01_033364,CCOC(=O)C(N=1)=Cc(c12)ccc3c2=Nc4c3cc(Cl)cc4 -MOL_01_033365,C1CN=C(N12)CC(CC(=O)O)C2(O)c3ccc(Cl)cc3 -MOL_01_033366,C1CCCCC1N(C)C2C(C(=O)OCC)Cc(c23)c(OC)c(OC)c(c3)OC -MOL_01_033367,CC(O)CN(S(=O)(=O)C)c1c(Cl)c(Cl)cc(c1=2)=NC(=O)C(N2)=O -MOL_01_033368,CCOC(=O)C1=C(NC)N=C(N(C1=2)CCC2)c3ccccc3 -MOL_01_033369,C1=CC(C)(C)NCC12C3(F)C=C(C(=C2)OCC)OCC(=O)NCCc4c(/C=C/3C)cccc4 -MOL_01_033370,Fc1ccc(cc1)/C=C/C(=O)NC2(C)Oc(c23)c(ccc3)N4CCOCC4 -MOL_01_033371,C1COc(c12)ccc(c2)C(F)(C(=O)NC)c3cccc(c3)-c4cccnc4 -MOL_01_033372,Clc(c1)c(Cl)cc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3cccs3 -MOL_01_033373,CCCCCc1nc(NC)nc(c12)n(nc2)CC(C)c3ccc(N)cc3 -MOL_01_033374,CCC1OCCN(C\1=2)C(=O)CC(N3\C(=C\C2)COCC3)C(=O)Oc4c(OC)cc(C)cc4OC -MOL_01_033375,CC(C)(O)c1cccc(c12)C(=C2)c3ccnc(c3)NC4CCC(CC4)C(=O)N5CCC(O)CC5 -MOL_01_033376,c12ccc(OC)c(c1)OC=3/C(C=CC3)=C/c4c(c(C)ccc4)/N=C5/N(C(=O)CS5)CC2 -MOL_01_033377,COc1cc(OC)c(c(n1)ON)/C=C(\C)C(=O)c2cc(OC)c(OC)c(n2)OC -MOL_01_033378,COc1ccc(cc1)C(N2O)=C(C#N)N(O)c(c23)cc(cc3)C4OCCO4 -MOL_01_033379,COc1ccc(c(c1)OC)-c(nc2N)cc(n23)nc(c3)-c4ccco4 -MOL_01_033380,Oc1c(C)cc(cc1C)C(N=2)=NC(=O)C(C23)=C4C(=N3)CC(C)CC4 -MOL_01_033381,CCOC(=O)CC1C(C(=N)CCC)=C(N)Cc(c12)ccc(c2)-c3cccc(c34)cccc4 -MOL_01_033382,c1ccoc1CN(S(=O)(=O)C2=C(C)C=N2)CCN(c3ccc(C#N)cc3)Cc4cncn4C -MOL_01_033383,N#CC(C(=O)N=1)=C(O)C(C12)=C(C=N2)c3cccc(O)c3 -MOL_01_033384,CCNC(=C)C1CC(N)CN1C(=O)CCc2ccccc2C -MOL_01_033385,CCc1nc(ccc1)CNC(=C)n(n2)ccc(c23)c(nc3)C4CCCC4 -MOL_01_033386,CCOc1cc(N)ccc1O/C(C23)=N/c4cc(ccc4Cl)CN(C3)C(CCO2)NN -MOL_01_033387,Cc(c1)ccc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3cccs3 -MOL_01_033388,COC(=O)C1CCCN1C(=O)C2=C(N=C2)Oc(c3)ccc(c34)OC(CC4)c5ccccc5 -MOL_01_033389,Fc1ccc(cc1)C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)ccc(Cl)c3 -MOL_01_033390,O=C1COC(=O)N1CCCCCCCCNCC(O2)CCc(c23)cccc3 -MOL_01_033391,C=1C=NC(C12)=C(C=C2)C(=O)NC(c3ccccc3)C(=O)N4CCC(CC4)CN5CCCC5CO -MOL_01_033392,O=C(C)C(N1O)=C(C(F)(F)F)N(O)c(c12)cc(F)c(c2)N3CCC(O)CC3 -MOL_01_033393,COC(=O)c(c1)ccc(c12)N(O)C(C(F)(F)F)=C(N2O)C(=O)C(C)C -MOL_01_033394,c1ccccc1-c2cc(C(N)(N)O)c(C#C)c(n2)NCCN3CCOCC3 -MOL_01_033395,C1CCCc(n12)nc(=O)c(c2O)C(c3ccccc3)c(c4=O)c(O)nc(n45)CCCC5 -MOL_01_033396,Clc1ccc(cc1)CN2C(=O)/C(OC2=O)=C/c3sc(nc3Cl)N4CCCCC4 -MOL_01_033397,c1cccnc1-c2nnc(n2CC=C)OCC(=O)Nc3ccccc3OC -MOL_01_033398,Cc1cccnc1-n2ccnc2C(O)Cc3ccccc3N4CCOCC4 -MOL_01_033399,CCCc(o1)nn(c12)c(=O)cc(n2)COC(=O)c3ccc(cc3)NC(=O)C4CCCCC4 -MOL_01_033400,COc1cc(OC)cc(c1)C(CO2)=Nn(c23)c(nn3)-c4cccc(c4)OC -MOL_01_033401,CC1=C(C(=N1)C)c2cc(ccc2C)C(=O)N3CCC(CC3)c(c4)ccn(c45)cnn5 -MOL_01_033402,COc1ccccc1N2C(=O)/C(OC\2=N/C(C)C)=C\c3ccc(O)c(Cl)c3 -MOL_01_033403,c1cccc(c12)N(O)C(=C(N2O)C(=O)OCC)c3ccc(Cl)cc3 -MOL_01_033404,C=C1C=c(c2=C13)ccc(COO)c2CC(C(C3)O)/C=C(/C)O -MOL_01_033405,COc1ccc(cc1OC)C(=O)/C=N/c2cn(-c3ccccc3)nc2-c4cccnc4 -MOL_01_033406,COc1cccc(c1)CC(C2=O)=CN=C3C=C(C4=C23)CC(CC4)NCc5cncnc5 -MOL_01_033407,c1cccc(c12)N(O)C(=C(N)N2O)c(s3)nc(c34)cccc4 -MOL_01_033408,Nc1ccc(cc1)C(O)C2(C)OC(=O)N(C2=N)c3ccc(O)cc3 -MOL_01_033409,C1CCC(=C12)N(O)C(=C(C)N2O)c3ccc(o3)C -MOL_01_033410,Cn1c(=O)c(=O)n(C)c(c12)cc(c(c2)C(=O)O)N3CCOCC3 -MOL_01_033411,Fc1ccccc1COc2cc(CC)ccc2C(=O)OCC(=O)NC(CCS3(=O)=O)C34CCC4 -MOL_01_033412,Cc(c1)ccc(c12)N=C3C2=NC(=O)N(C3=O)N -MOL_01_033413,C1COc(n12)ncc(c2=O)C(=O)Nc(c3)ccc(c34)CCCO4 -MOL_01_033414,OCCCN(S(=O)(=O)C)c1c(Cl)c(Cl)cc(c1=2)=NC(=O)C(N2)=O -MOL_01_033415,c1ccccc1CCCCNC(=O)NC(C=C2)=C(C2=3)C(=CN3)c4ccc(cc4)OCCN5CCOCC5 -MOL_01_033416,Cc1ccccc1CNC(=O)C2CCN(CC2)c(o3)nn(c34)cc(n4)-c5ccc(F)cc5 -MOL_01_033417,O=C1N=CN=C(C1=2)c3c(N2)c(O)ccc3O -MOL_01_033418,CN(C)N(C=N1)N(CC)c(c12)cc3c(n2)nccn3 -MOL_01_033419,C1=CC(=C2)C=C(C2(C134)C)CC(C)(C)C3=CC=C5C4=Nc6c(ccc(C5)c6)CCC(=O)O -MOL_01_033420,Cc1ccc(C(=O)O)c(n1)N2CCN(CC2)C(=O)c3cccc(c3)-c4ccccc4 -MOL_01_033421,c1ccccc1C2CCC(=C)N2c3nc(ncc3F)NC(C)C4CC4 -MOL_01_033422,Fc1ccc(cc1)C(=C)Nc(n2)nc(N)c(c23)cn(n3)CC(C)(C)C -MOL_01_033423,C1CCCCN1C(=C)c2cncc(n2)-c(c3)cc(N)c(c34)CC(C4)CN -MOL_01_033424,n1cnc(N)c(c12)ccn2COCCN(C(=O)C)CCCNC(=O)Nc3ccc(C(C)(C)C)cc3 -MOL_01_033425,Clc1ccccc1C2=CC(CCCC)N(C2=O)C(C)c3ccc(cc3)C(=O)NCCC(=O)O -MOL_01_033426,Clc1ccccc1C2=C(CC(=O)N)C(=N2)C(=O)N(CC3)CCC3(C(=O)O)c4ccccc4 -MOL_01_033427,COc(c1)c(OC)cc(c12)CCS3C2CSC(\C3=O)=C\C(=O)c4cccc(Cl)c4 -MOL_01_033428,O=C1N=CN=C(C1=2)N=C(C2)c3ccnc(c3)/C=C/c4ccc(cc4)C(=O)N5CCOCC5 -MOL_01_033429,CN(C)CCNC(N1O)=NN(O)c(c12)c3c(cc2)CCCC3 -MOL_01_033430,COc1ccc(c(c1)OC)C(N2O)=C(C)N(O)C(=C23)CCCC3 -MOL_01_033431,ONC(=O)c1ccc(o1)-c2ccc(cn2)CNCCOc3ccccc3 -MOL_01_033432,Cc1ccc(cc1)C(OCO)(C(C(=O)C2)CC(O)(O)O)c(c23)cc(C)cc3 -MOL_01_033433,CCOc(c1)ccc(c12)C(=O)CC(C(O2)(C#N)C#N)c3ccccc3 -MOL_01_033434,COc1ccc(cc1)/N=C2\O/C(C(=O)N2CC(C)C)=C\c3cc(C)n(C)c3C -MOL_01_033435,C=C(C)c(c1)ccc(n12)nc(c2)N3C=C(C)N=C(O)N3C -MOL_01_033436,Cc1ccc(cc1)N(C2=SC(=O)CS2)CC(=O)N3CCc(c34)cccc4 -MOL_01_033437,CC(C)n1ccc(=O)nc1CC2CCN(C2=O)c3ccccc3F -MOL_01_033438,Fc1ccc(cc1)C(C(=C)N2C)=Nc(c23)cnc(n3)Nc4ccccc4 -MOL_01_033439,Fc1ccc(cc1Cl)NC(=O)Cn2cc(nn2)CN(c3ncccn3)c(o4)nc(c45)cccc5 -MOL_01_033440,CN(C)C(=O)N/C=C1\C(=O)Nc(c12)ccc(c2)OC(F)(F)N -MOL_01_033441,COCCn1c(C)cc(c1C)/C=C2\OC(=O)N(C2=O)CC(=O)N3CCCC3 -MOL_01_033442,OCCOc(nc1N)nc(c12)oc3c2CCCC3 -MOL_01_033443,COc1cccc(c1)C(CC2)=Nn(c23)c(nn3)-c4cc(OC)cc(c4)OC -MOL_01_033444,c1ccccc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)cc(Cl)cc3 -MOL_01_033445,Oc(c1)ccc(c12)pc3c(c2C#C)COc4c3ccc(c4)O -MOL_01_033446,CCc1cccc(c12)C(=C2)C(=O)CN(C(=O)N3)C(=O)C34CCCCC4 -MOL_01_033447,c1cccnc1C(=O)C(C2)CCc(c23)cc(nc3O)-c4ccccc4 -MOL_01_033448,CCCCn1c(=O)/c(c(=O)[nH]c1=C)=C/NN2CCCCC2c3cccnc3 -MOL_01_033449,Oc1ccccc1-c(n2)ccc(n23)ccc3Nc4cnccc4OC5CCCNC5 -MOL_01_033450,O1CCOc(c12)cccc2C(=O)OCCn3c(C(=O)O)cnc3/C=C/c4c(F)cccc4F -MOL_01_033451,O=CC1=CC=c(c12)c=3c(cc2)c4c(N3)ccc(c4)C=O -MOL_01_033452,c1cccc(c12)oc3c2c(=O)n(nc3C)CC(=O)N4CCOCC4 -MOL_01_033453,Nc1cccc(c1)-c(nc(c23)cccc3)n2Cc4cnn(c4)-c5ccc(N)c(N)c5 -MOL_01_033454,COc1cc(OC)cc(c1)C2C(CO)=C(N)Nc(c23)c(N)c(N)cc3 -MOL_01_033455,Cc1cccc(n1)N2C(=O)CNC2c3c(C)cccc3N -MOL_01_033456,N1=CC(C)=C1c2cc(C(=O)N)nc(c23)cc(cc3)CN4CC(C)OC(C(F)(F)F)C4 -MOL_01_033457,CC1C=CC(C1)n2ccc(c23)c(cc(c3)N)NC4CC4 -MOL_01_033458,n1cnnc(c12)cc(C)n2C(=C)CC(CC3)NCC34CCCC4 -MOL_01_033459,COc1ccc(C)c(c1)-c2ccc(cc2)NC(=O)c3c(N)cccc3Cl -MOL_01_033460,c1ccccc1-c(n2)nc(n23)oc(\c3=O)=C\c4ccccc4Cl -MOL_01_033461,c12ccc3n([nH]2)c(cc3c1)N(CCCN(C)C)C(=O)CCc4ccccc4 -MOL_01_033462,Cc(c1)ccc(c12)N(O)C(=C(C(F)(F)F)N2O)C(=O)c3ccccc3 -MOL_01_033463,c1ccccc1CC(C(=O)O)N2C(=O)/C(CC2=C)=C/c3ccc(cc3)OCC(=O)c4ccccc4OC -MOL_01_033464,CNC(=O)c1cccc(c1)Nc2ncnc(n2)N3CC=C(CC3)c4nc(co4)-c5ccccc5 -MOL_01_033465,COC(=O)C(N1O)=C(C(F)(F)F)N(O)c(c12)ccc(c2)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_033466,CNC(=O)C(C(C)C)NC(=O)C1=C(C=C1)c2cccc(c2)CNC(=O)c3cccc(n3)C(F)(F)F -MOL_01_033467,CCCS(=O)(=O)C(C=C1)=C(C1=2)N=C(N2)N3CCC(C3)c4ccccc4 -MOL_01_033468,c1ccccc1S(=O)(OCC)N2CCCC(N2)c3ccc(Cl)c(Cl)c3 -MOL_01_033469,CCOC(=O)C(C=1CC)=CC(C12)=NC(C(=O)OCC)=C2CC3CC(C)OC(C)C3 -MOL_01_033470,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CC(=O)C(=O)Nc3c(C(C)C)cccc3C(C)C -MOL_01_033471,O=C1N=CN=C(C1=2)N=C(C2)c3ccnc(c3)/C=C/c4ccc(cc4)CN5CCOCC5 -MOL_01_033472,CCNc1ccc(cc1)-n(c2=O)c(OC)nc(c23)CCO3 -MOL_01_033473,C=C(C)C(=O)OCc(c(c1)C(=O)O)cc(c12)CCC(N2)CNC(C)C -MOL_01_033474,CCCc1cc(O)nc(n1)OCC(=O)N2CCCc(c23)cccc3 -MOL_01_033475,COc1ccc(cc1)C(C=C2)=C(C2=3)C(=O)C=C(N3)c4ccccc4N -MOL_01_033476,OC=1C(O)=CC(C12)=NC=C2C(=O)C(=O)N3CCC(CC3)Cc4ccc(F)cc4 -MOL_01_033477,COc1ccccc1NC(=O)C2CCN(CC2)C(=O)C(C=3C)=CC(C34)=NC=NC4=O -MOL_01_033478,CC(C)c(cc12)cc(c1C)/C=C3\N(C(=O)CO2)CCN(C3)C(=O)c4ccco4 -MOL_01_033479,CN(C)CCNC(N1O)=CN(O)c(c12)cc3c(c2)CCCO3 -MOL_01_033480,O=C1N=NC(C)=C(C1=2)c3c(N2)ccc(F)c3 -MOL_01_033481,COc1ccccc1CNS(=O)(=O)c2cc(c(F)cc2F)C(=O)N(C)CC3CCCO3 -MOL_01_033482,CC(=O)N1CCN(CC1)Cc(n2C)nc(c23)cc(cc3)C(=O)O -MOL_01_033483,COc(c1)ccc2c1c(cc(O)c(c3)OC)c3c(C4)c2C(O)C(P45O)CCC5 -MOL_01_033484,O=C(N=1)N=c(c12)cccc2N3CCN(CC3)CCCN4C(=O)COc(c45)cccc5 -MOL_01_033485,c1cccc(c12)scc2C(C)N(CCCN)C(=O)CCCC3=CN=C(C3=4)C=CC4 -MOL_01_033486,Cn1cc(cn1)C2OC(C)=Nc(c23)n(C(C)C)nc3O -MOL_01_033487,CCCC(O)C(=O)NCC(=O)NC(C=O)Cc1ccc(cc1)-c2ccccc2 -MOL_01_033488,C=CCc1c(O)c(=NN=N2)c2c(c1=3)N=CN3 -MOL_01_033489,c1ccccc1C(C(=O)N)c2ncc(C(F)(F)O)cc2O -MOL_01_033490,Cn1c(=O)n(C)c(=O)c(c12)cpc(n2)-c3ccc(C(F)(F)F)cc3 -MOL_01_033491,CCNCC#CCCC1(OCCCO1)C2(O)c(cccc3)c3Oc(c24)cccc4 -MOL_01_033492,Cc1ccc(cc1)NC(=O)C(N2CCN(C)CC2)c(c3)ccc(c34)cc(o4)C(=O)Nc5ccccc5N -MOL_01_033493,COc1cccc(c1)-c2ccc(C)c(n2)N3CCC(C(=O)O)CC3 -MOL_01_033494,C=CCNC(=O)c(o1)cc(c12)c(=O)n3c(n2)c(C)ccc3 -MOL_01_033495,c1ccoc1C(=C(C)N2O)N(O)C(=C23)CCCCC3 -MOL_01_033496,CCOC(=O)Nc(pc1N)cc(c12)NCC(=P2)c3cc(OC)c(OC)c(c3)OC -MOL_01_033497,COc1ccc(cc1)CNC(=O)C(N2O)=C(C)N(O)c(c23)ccc(c3)C(F)(F)F -MOL_01_033498,c1cc(C)cc(c12)cc(n2C)C(=C)NC(C)C(=O)NC(C(=O)C)Cc3ccccc3 -MOL_01_033499,NC(N=1)=NC(=O)C(C12)=NC=C2C(=O)c3ccc(Cl)cc3 -MOL_01_033500,CCOc1ccccc1N(CCN23)/C(C2)=C/C=C/c4c(CCNC(=O)C3)ccc(c4)S(=O)(=O)N -MOL_01_033501,C1CCCCC1C2=C(N=C(C2=3)C=C(N3)C(=O)O)c4ccccc4 -MOL_01_033502,FC(F)(F)COc(c1)ccc(c12)C=C(CC(=O)N2)c3cccc(c3)-n4ccnn4 -MOL_01_033503,Cc1cccc(c12)cn(c2C)C(=C)CN(N=3)C=CN(C34)NCNC4 -MOL_01_033504,Cc1ccnc(c1)NC2(C(F)(F)F)C=C(NC2=O)c3ccccc3 -MOL_01_033505,COc(c1)ccc(c12)N(O)C(N)=C(N2O)c3c(Cl)cccc3Cl -MOL_01_033506,c1ccccc1C(=C(C=2)CC(=O)CC)C(C23)=CC(=CC3=O)c(c4)ccc(c45)OCO5 -MOL_01_033507,C1CNCCN1c2cccc(c2)-n3ncc(c34)ccc(c4)-c5cncc(c5)C6CC6 -MOL_01_033508,CN(C)CCCNC/C=C/C(=O)Nc(o1)cc(c12)c(ncn2)Nc3ccc(F)c(Cl)c3 -MOL_01_033509,c1ccccc1-c(n2)nc(n23)n(nc3N)CC(=O)c4ccccc4 -MOL_01_033510,c1ccccc1-c2ccc(N)c(c2)NC(=O)c(c3)ccc(c34)c(c(cc4)C5CC5)N6CCNCC6 -MOL_01_033511,Cc1ccc(o1)C(=O)c2nc(C(F)(F)F)nc(c23)cco3 -MOL_01_033512,Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CCCC)OCC(=O)N3CCOCC3 -MOL_01_033513,O=C(O)CCNc(nc(n1)C)c(n12)cc(n2)-c3ccccn3 -MOL_01_033514,C1CCOC(N)=SC1(C)c2cc(ccc2F)NC(=O)c3ccc(O)cn3 -MOL_01_033515,c1ccccc1CCCNC(=O)Nc2cccc(c2)CCNCC(O)c3ccc(O)c(c34)C(=O)C=C4 -MOL_01_033516,C12=CC=C(Cl)C(=CC=C1)C2(CC)S(=O)(=O)N(C)c3ccc(cc3)Oc4ccccc4 -MOL_01_033517,CCN(CC)Cc1ccc(cc1)/C=C/c2cc(ccn2)C(C=3)=NC(C34)=NC=NC4=O -MOL_01_033518,c1ccccc1-c2c(F)cc(cc2)C(C)C(=O)NN3C(=O)COC3c4ccc(C(F)(F)F)cc4 -MOL_01_033519,COc1ccc(cc1)C(N2O)=C(C#N)N(O)c(c23)cc(C)c(c3)C -MOL_01_033520,N1=NC(N)=C(C1=2)C(=O)N=C(C2)c3ccccn3 -MOL_01_033521,CN(C)CCN(C1=S)C(=S)c(ccc2)c3c2cc(c4c13)ncs4 -MOL_01_033522,c1ccncc1-c2nnc(n2C)CCC(=O)NC3(C#N)CCCCC3 -MOL_01_033523,Cn1ccc(n1)Nc2ccc(cc2)C(=O)NCS3(CCOCC3)c4nc(cs4)-c5ccccc5 -MOL_01_033524,O=C(O)CC(=C1C)C(=O)C=c(c12)cc3c(c2)=C(C=C3)c4ccccc4 -MOL_01_033525,Nc1nc(ccn1)-c2oc(nc2C)-c3ccc(cc3)C4=CCC(C)C4 -MOL_01_033526,Cc1ccc(cc1)N(N2N)C(=C)N(C)c(c23)cccn3 -MOL_01_033527,Fc1cnc(cc1)PC(=O)c2c(C)c(n(n2)C)-c3ccc(F)cc3 -MOL_01_033528,CC(C)C(S)C(=O)NC1(C(=CC=C12)CC2)C(=O)NC(C(=O)O)Cc3ccccc3 -MOL_01_033529,c1ccncc1CCN(C)C(=O)c2cc(-n3cccn3)nc(c24)cccc4 -MOL_01_033530,CCOC(=O)c(c1)ccc(c12)N(O)C(C(F)(F)F)=C(N2O)C(=O)C -MOL_01_033531,CNCCC1=NC(=N1)c2cc(ccc2C3CCC3)C(=O)N(CC4)CCC4(F)c5ccc(C#N)cc5 -MOL_01_033532,Cc1ccccc1N(C(=O)Cc2cccs2)CC(=O)NC3CCCCC3 -MOL_01_033533,Cc1ccc(cc1)C2=NN(C3=NC(=O)CC3)C(C2)c(c4)ccc(c45)cccc5 -MOL_01_033534,C=C1CC(C)(C)Cc(c12)nc(c(c2)O)NC3CCCC3 -MOL_01_033535,c1cccc(c12)nc3c(c2N)NCc4c3cccc4 -MOL_01_033536,CCc1cccc(C)c1NC(=C)CCC(=C)c(n2)nc(n23)nccc3C -MOL_01_033537,FC(F)C(O)(C(F)(F)F)C1=C(N=C1)N(C(=O)C(C)C)Cc2ccc(cc2)-n3cnnn3 -MOL_01_033538,COc1ccc(cc1OC)-c2nnc(n2N)CCC(=O)Nc(c3)ccc(c34)OCCO4 -MOL_01_033539,COc(c(C)c1)cc(c12)N(O)C(=NN2O)NC(CC34)C(C3)CC4 -MOL_01_033540,Cc1cc(Cl)ccc1NS(=O)(=O)c(c(C)c2)cc(c2=3)=NC(=O)C(N3)=O -MOL_01_033541,Clc(c1)c(Cl)cc(c12)N(O)C(=C(N2O)C(=O)OC)Cc3ccccc3 -MOL_01_033542,Cc(c1)c(C)cc(c12)N(O)C(=C(C)N2O)C(=O)/C=C/c(c3)ccc(c34)OCO4 -MOL_01_033543,CC1=C(C(=N1)C)C2=C(N=N2)SCCCN(CC3)CCC(C4)C34c5ccc(C(F)(F)F)cc5 -MOL_01_033544,NC(F)(N)c(cc1)cc(c12)cc(n2C)N(C)C(=O)Cc3cccc(O)c3 -MOL_01_033545,c1ccnc(c12)ccc(c2)NC(=O)c3cccnc3C(O)C(c4ccccc4)c5ccccc5 -MOL_01_033546,Cc(c1)c(C)cc(c12)N(O)C(N)=C(N2O)c3c(Cl)cccc3Cl -MOL_01_033547,CCc1ccc(cc1C)C2(N=C(N)C(N)C2=N)c3cccc(c3)-c4ccccc4 -MOL_01_033548,c1ccccc1CN(C)C(=O)NC(C(=O)N2CCCC2S(O)O)Cc(c3)ccc(c34)cccc4 -MOL_01_033549,Cc(n1)cc(N)n(c12)cc(C)c2-c3ccc(O)cc3 -MOL_01_033550,COc1c(OC)cc(cc1OC)/C=C/C(=O)/C=C/c2occc2C -MOL_01_033551,Nc1ccccc1C2=C(N=N2)C(=O)NC(C(O)C3)c(c34)cccc4 -MOL_01_033552,C#Cc1cccc(c1)CNC(=O)Cc(c2C)c(C)nc(c23)C=NC3=O -MOL_01_033553,Cc(c1)c(C)cc(c12)N(O)C(=C(N2O)C(=O)OC)Cc3ccccc3 -MOL_01_033554,CCc1ccc(cc1OF)NC(=O)CCc2cc(=O)n(CC)c(c23)cccc3 -MOL_01_033555,COc1ccc(cc1)C(=O)Nn(c2=O)c(nc(c23)cccc3)OCC(=O)c4ccc(O)cc4 -MOL_01_033556,C1CCN(C=12)C=CC(=C2C(=O)OCC)Nc3ccccc3OC -MOL_01_033557,Nc1ccc(cc1)C(C)NC(O2)=CC(=O)C2(C)c3ccc(cc3)C(=O)N4CCOCC4 -MOL_01_033558,CCCNc(s1)nc(=O)c(c12)cc(C(F)(F)F)cc2S(=O)O -MOL_01_033559,c1ccccc1-c2nnc(n2CC=C)CCc3nnc(C)n3-c4ccccc4 -MOL_01_033560,COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/C23C=CC(OC)(CC2)C(F)=C3 -MOL_01_033561,CCOS(=O)(CC)Oc1cc(ccc1C)Nc2cc(ncn2)-c3ccccc3OC -MOL_01_033562,Nc1ccc(cc1N)CCOC2=CC(O)=C(C2=3)C=CC3c4ccc(cc4)OC5NN5 -MOL_01_033563,Cn1cc(F)c(n1)-c2nnc(N)n2-c3ccccc3 -MOL_01_033564,c1cccnc1-c2nnc(n2CC)OCC(=O)Nc3nccs3 -MOL_01_033565,COC(=O)c(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)c3ccccc3 -MOL_01_033566,CN(O1)C(N)=SC12c3c(CC2)ccc(c3)C#CC4CC4 -MOL_01_033567,CCOCCCNC(=O)C(=CC=1)C(C12)=NC(=O)N(C2=O)Cc3ccc(OC)cc3 -MOL_01_033568,Nc(c1)ccc(c12)cc3n(c2=O)cccc3C(=O)NCCNCc(c4)ccc(c45)CO5 -MOL_01_033569,COc1ccccc1S(=O)(=O)CC2=C(C=C2)C(=O)N3CCN(CC3)c4ccccn4 -MOL_01_033570,CS(=O)(=O)c1cccc(c1)-c2ccc(cc2)OCc3nnc(CC4CCCC4)n3-c5cccnc5 -MOL_01_033571,Cc1noc(C)c1S(=O)(=O)Sc2c(c(=O)c2=O)N3CCC(C)CC3 -MOL_01_033572,C=1C=NC(C12)=C(C=C2)C(=O)N3CCN(CC3C)C(=O)c4ccc(cc4)N5CCOCC5 -MOL_01_033573,c1cccc(c12)CCCCN2C(=C)c3ccc(cc3N)-n4cccn4 -MOL_01_033574,Cc1ccc(cc1C)C(=O)COC(C234)(C=C2)C=C3OC(=O)C=C4 -MOL_01_033575,Cc1ccc(N)c(c1N)C(C)Oc2cc(cnc2N)-c3cnn(C)c3 -MOL_01_033576,Cc1ccccc1NC(=O)CN(C2=O)CC(C)=Cc(c23)cc(cc3)-c4ccccc4 -MOL_01_033577,CCN(CC)CC(=O)Nc(s1)nc(c12)cc3c(c2)oc(n3)NC(=O)CN(CC)CC -MOL_01_033578,COc(c1)ccc(c12)nc(C)cc2CCC(=O)NNC(=O)COc3ccccc3 -MOL_01_033579,COCCn1c(C)cc(c1C)C2=NN=C(CC2)Nc3ccc(F)cc3 -MOL_01_033580,CN(C)C1=NC(=CC1=O)C(=O)NC(C(C)(C)O)c2ccc(OC(F)(F)F)c(F)c2 -MOL_01_033581,FC(F)(F)c(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccccc3 -MOL_01_033582,c1ccccc1N(C)C(=O)/C(C#N)=N/c2cn(CC(=O)O)c(c23)cc(F)cc3 -MOL_01_033583,O=C(N=1)C(=O)N=c(c12)cc(C)c(c2)S(=O)(=O)N3CCN(CC3)c4ccccc4F -MOL_01_033584,COc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccccc3 -MOL_01_033585,CC(O)c(c1)ccc(c12)OCC(=O)C2CCC3CCC(CC3)CCc(n4)ccc(c45)OCC(=O)C5 -MOL_01_033586,CCCCC(=O)NC(C)C(=O)COC(=O)c1c(F)cccc1NC(=O)C -MOL_01_033587,Nc(o1)nc(c12)CCC(C2)N(CCC)CCC3(O)CC(C3)NC(=O)c(c4)ccc(c45)cccc5 -MOL_01_033588,CN1CCN(CC1)c2ccc(cc2)-c3cncc(n3)-c(c4)ccc(c45)C(=O)N=N5 -MOL_01_033589,NC(=O)Nc1cc(ccn1)-c2cc(C(F)(F)F)cn2-c3ccc(F)cc3 -MOL_01_033590,Cc1ccc(cc1Cl)NS(=O)(=O)c(c(C)c2)cc(c2=3)=NC(=O)C(N3)=O -MOL_01_033591,C1CCCC1NC(=O)C(CCC)N(C(=O)C2=CN=N2)Cc3ccccc3Cl -MOL_01_033592,COc1ccc(nc1)/C(c2ccncc2)=C(\c3ccccn3)CCNC(=O)N4CCCCC4 -MOL_01_033593,CC(=O)C1=CC=C(C1=2)N=C(N2)C(O)Cc3ccc(C)cn3 -MOL_01_033594,Cc1ccccc1NC2CCc(c23)ccc(n3)N4CCNCC4 -MOL_01_033595,Nc1ccc(cc1)-c2noc(n2)CCc3nnc(Cc4ccccc4)n3-c5ccc(F)cc5 -MOL_01_033596,Nn1cnnc1CCC(=O)N(C2)CCc(c23)cccc3 -MOL_01_033597,CCC(CO)CCn1cnc(c12)c(cc(n2)N)OCc3ccccc3 -MOL_01_033598,CCNC(N1O)=NN(O)c(c12)cc3c(c2)CN(C)CC3 -MOL_01_033599,c1ccccc1Cn2c(cccc3)c3c(c24)cc(cc4)/C=C5\CC(=C)N(C5=O)CC(=O)O -MOL_01_033600,CCNC(=O)NC(N=1)=c(c12)cc(-c3cncc(F)c3)cc2-c4ncccn4 -MOL_01_033601,c1ccsc1-c2nnc(n2C)OCc(s3)nc(c34)cccc4 -MOL_01_033602,CCOC(=O)N(CC1)CCC12Nc3c(C(N)=S2)c(Cl)ccc3 -MOL_01_033603,CCOC(=O)C1=C(C=C1)NC(=O)NCCCN2CCc(c23)ccc(F)c3 -MOL_01_033604,Cc1nc(nc(c1)C)NC2=SC(=O)CC(C(=O)O)N2c3ccc(Cl)cc3 -MOL_01_033605,Cc1cccc(c1)N(C)S(=O)(=O)c(c(C)c2)cc(c2=3)=NC(=O)C(N3)=O -MOL_01_033606,Cc1ccc(cc1)C(N2O)=C(C#N)N(O)c(c23)cc(C)c(c3)C -MOL_01_033607,S1CCN(C=12)C=NC(=C2C(=O)OCC)Nc3ccc(Cl)cc3 -MOL_01_033608,Cc1cccc(c1)-c2nc(N)nc(c23)c(C)ncc3 -MOL_01_033609,Cc1ccccc1C(=O)N(CCCC)c2nnc(o2)-c3ccccc3C -MOL_01_033610,Cc1cccc(c12)c3c(c2)oc4n(n3)c(C)nn4 -MOL_01_033611,c1ccccc1SC(=O)Cn2cc(/C=C/S(=O)O)c(c23)cccc3 -MOL_01_033612,CCOC(=O)c1csc(n1)NC(=O)c(c2)cc(OC)c(c23)occcco3 -MOL_01_033613,CCS(=O)(=O)N1CCN(CC1)C(=O)n(c2=O)oc(c23)nccc3 -MOL_01_033614,C1=CC=C2C(=O)C(=c(c3=C12)cccc3)Cc4ccc(cc4)C(=O)CCCC(O)O -MOL_01_033615,C1CCCCC1N(C)C(=O)CCCOc(c2)ccc(c23)CN4C(N3)=CC(=O)C4 -MOL_01_033616,NS(=O)(=O)c1ccc(cc1)CCNC(N2O)=NN(O)c(c23)cc4c(c3)CCC4 -MOL_01_033617,O=C(C)N1S=C(NC(=O)C)SC1(C)c2ccc(C)cc2 -MOL_01_033618,C1CCC1Oc2nc(oc2C(=O)N)-c3ccnc(c3)NC(=O)C4CC4 -MOL_01_033619,Fc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccc(Cl)cc3 -MOL_01_033620,Cc1ccc(cc1)-n2nnc(c2C)C3=CNC(C3)c4ccc(O)cc4 -MOL_01_033621,COc(c1)ccc(c12)nc(C)cc2CCC(=O)N/N=C/c3c(OC)ccc(c34)cccc4 -MOL_01_033622,CC(C1)CCC(C1=2)=C3C(N2)=NC(=O)N(C3=O)C -MOL_01_033623,c1ccccc1C(=O)C(N2O)=C(C(F)F)N(O)c(c23)cccc3 -MOL_01_033624,Cc1cc(C)ccc1-n2c(N)c(cn2)C(=C)c3cccc(c3)-c4ccncc4 -MOL_01_033625,CCOc1nc(C)nc(c12)oc(n2)-c3ccc(C)cc3 -MOL_01_033626,CCCCc1c(O)nc(nc1O)OC2CC(=O)N(C2=O)c3ccc(cc3)C(=O)OCC -MOL_01_033627,CC1(C)ON(OC1(C)C)c2ccccc2C(=O)Nc3ccc(cc3)Oc4ccc(C(F)(F)F)cn4 -MOL_01_033628,Cc1cccc(c1)Oc2c(C3CCC3)ccc(c2N)-c4cnc(C)cn4 -MOL_01_033629,CC(C)CCn1cnnc1C(C2CCC(C(=O)N)CC2)c3ccccc3N -MOL_01_033630,NC(N)(N)c1cc(ccc1)N2C(=C)N(C)c(c23)ccc4c3cc(cc4)-c5ccc(N)nc5 -MOL_01_033631,COc1ccc(cc1)CCNC(=O)C(N2O)=C(C)N(O)c(c23)cc(F)c(F)c3 -MOL_01_033632,C=C(N)CCC1=NC(=C)C(CC)=C(C)N1c2ccccc2[P] -MOL_01_033633,Cn1ncc(Cl)c1C(=S)N2CCc(c23)cccc3 -MOL_01_033634,Cc1ncc(C(=O)O)n1/C(C(F)C)=C/c2ccc(O)cc2O -MOL_01_033635,NC(N=1)=NC(=O)C(C12)=CC(=N2)c3ccnc(c3)/C=C/c4ccccc4 -MOL_01_033636,c1ccoc1-c2nnc(n2CCOC)CCC(=O)NC3CCCCC3 -MOL_01_033637,Cc1cc(C)c(c(C)c1)S(=O)(=O)N(S2O)N=Cc(c23)c(F)ccc3 -MOL_01_033638,Oc1ccccc1C(=Cc(n23)ncn3)CC2c4ccccc4 -MOL_01_033639,CC(C)CN(C1)C=Nc(c12)ccc3c2oc(n3)C#N -MOL_01_033640,CC(=O)c1ccccc1NC(=O)C(=O)CC(=O)c2ccccc2-c3ccccc3 -MOL_01_033641,COC(=O)c1ccccc1Oc2c(O)c(N)nc(c2O)N3CCOCC3 -MOL_01_033642,c1cccc(c12)c(c(S(=O)O)c(=O)n2C)Nc3ccc(O)cc3 -MOL_01_033643,Oc1ccc(cc1)C(C2CC2)NC(=O)CCC(N=3)=NC(=O)C(C34)=CC(O)(O)C=C4 -MOL_01_033644,C1CCCc(c12)oc(c2C#N)N3C(=O)C=CC3=O -MOL_01_033645,c1ccccc1-c2cc(C)c(C#C)c(n2)NCCNC(=O)C(C)C -MOL_01_033646,Oc(n1)c(O)nc(c12)cc(C(=O)O)c(c2)CN3CC=CCC3 -MOL_01_033647,COc1cc(cc(OC)c1O)C(O)S(=O)(c2ccc(N(C)C)cc2)OC3CCCCC3 -MOL_01_033648,C1CNCC1C2=C(C)C(=C)C(C2=N)c3ccc(C)cn3 -MOL_01_033649,COc1ccccc1CNC(=O)c2ccccc2NS(=O)(=O)c(c3)ccc(c3=4)=NC(N4)=O -MOL_01_033650,Bc1cc(Cl)ccc1Nc(c2B)c(cc(c23)cco3)C(=O)NOC(C)(C)CO -MOL_01_033651,c1ccccc1CC(C(=O)NCC)NC(=O)NS(=O)(=O)c2ccc(O)cc2 -MOL_01_033652,CNCCC1=CN=C(C=C2)C12CCC3NC(=O)N(C3=O)Cc4ccccc4 -MOL_01_033653,CC(=O)OCCOC(C)NC(=O)Nn(c1=O)c(cc(c12)cccc2)-c3ccccc3 -MOL_01_033654,Cc1c(C)oc(c12)nc(nc2O)CN3CCN(CC3)c4ccc(O)cc4 -MOL_01_033655,CC12C=CC(OO1)(C(O)=C2OO)/C=N/c3ccc(cc3)OCc(cc45)c(oo4)cc5 -MOL_01_033656,O=C(N1)N(C)Cc(c12)ccc(c2)NC(=O)NC3CC(CN)(CN)Nc(c34)cccc4 -MOL_01_033657,CCc1ccc(C(C)C)cc1NC(=O)C(C2)CCn(c23)c(nn3)C(F)(F)F -MOL_01_033658,COc1ccc(cc1)-n2c(O)ccc2-c3c(N)cc(N)cc3N -MOL_01_033659,Fc1c(Cl)ccc(C(F)(F)F)c1C(=O)Nc(c2)ccc(c23)COS3O -MOL_01_033660,c1cccc(c12)N(O)C(=C(N)N2O)C(=O)NC34CC5CC(C3)CC(C5)C4 -MOL_01_033661,CCCc1ccccc1NC(=C)C2CCCN(C2)S(=C)(=C)c3c(C)nc(C)nc3C -MOL_01_033662,O1COc(c2)c1cc(c23)c4n(n3)CCN4 -MOL_01_033663,COc1ccc(cc1)-c2nc(oc2-c3ccc(OC)cc3)CNC(=O)C4=NNC(=O)CC4 -MOL_01_033664,Cc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccc(Cl)cc3 -MOL_01_033665,COc1ccc(cc1)-c2n(CCOC)c(nc2)OCC(=O)Nc3cccc(C)c3 -MOL_01_033666,CS(=O)(=O)N1CCN(CC1)C(=O)c2cccc(c2)Nc3ncc(F)c(n3)Cc4ccc(F)cc4 -MOL_01_033667,CN(C)CCCNC1=Cc(cccn2)c2Nc(c13)ccc(c3)C 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-MOL_01_034038,C1CC1(C)c2cccc(c2)N3CCN(CC3)C(=N)CNc4ccccn4 -MOL_01_034039,CC(C=1)=CC(C12)=NC(=NC2=O)CSC(=S)NCc3ccc(F)cc3F -MOL_01_034040,O=c1ccoc(c12)c(ccc2S(=O)O)Cn3ccnc3 -MOL_01_034041,CCOC(=O)c1c(oc(C)c1C)NC=C(C(=O)C2)C(=O)CC2(C)C -MOL_01_034042,O=C1CCCC(O)=C1Cc2ccccc2C(=O)O -MOL_01_034043,CCn1nc(C)c(c1C)/C=S/NC(=O)c(c2)ccc(c23)OCO3 -MOL_01_034044,S1CSc(c12)ccc(c2)C(=O)N(C)C(C)(CC)C(=O)NC3CCCCC3 -MOL_01_034045,CCC(=O)C(CC)NC(=O)c(c1C)cnc(c12)ccc(c2)C -MOL_01_034046,c1cccc(c12)CCN2C(=C)NC(=O)COc3ccccc3 -MOL_01_034047,CC12C=CC(C1)(C=C2)S(=O)(=O)NCC(Cc3ccccc3)C(=O)Nc4ccc(C(=N)N)cc4 -MOL_01_034048,COc1ccccc1CCN(C)Cc2nc(C)cc(n2)N(C)C -MOL_01_034049,Fc1cccc(F)c1C(=O)NCc2nnc(o2)CCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_034050,CN1CCN(CC1)c2ccc(S(=O)O)cc2/C=N/NC(=O)c3ccc(F)cc3 -MOL_01_034051,CCCn(c1=O)ccc(c12)cc(cc2N)-c3cncnc3 -MOL_01_034052,c1cncn1CC(c2c(N)cc(N)cc2)OCc3csc(c34)c(N)ccc4 -MOL_01_034053,CCCCNCCC(NCCC)CNC(=O)c(c1)ccc(c12)cc(N)cc2 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-MOL_01_034071,COc1cc(nc(c1)OC)Nc2cccc(O)c2C(=O)O -MOL_01_034072,COc1ccc(cc1)P(=S)(P2C)Oc(c23)cccc3 -MOL_01_034073,c1ccncc1C(=O)n2nc(pc2[P])-c3ccc(I)cc3 -MOL_01_034074,Cc(c1)ccc(c12)oc(=O)c3c2oc(c3)C(=O)NCCc4ccc(Cl)cc4 -MOL_01_034075,COc1cc(O)ccc1COc2ccc(OC)c(O)c2CC=C(C)C -MOL_01_034076,O1CCN(C12)C(=O)C(CC)C(=O)S=2CC(C)C -MOL_01_034077,C=1C=CC(C12)=NC=C2CCCNC(C(=O)O)C3CCN(CC3)C(=O)/C=C/c4cc(F)c(F)c(F)c4 -MOL_01_034078,O=C1N=CN=C(C1=2)C(=CN2)CN(CC(O)CO)Cc3ccccc3 -MOL_01_034079,Cc(o1)cc2cc(C)cc(c2c13)cc(c3)NC(=O)c4ccc(N)cc4 -MOL_01_034080,O=C(O)c1ccc(cc1)CN2C(=O)O/C(C2=O)=C\c3cccc(c3)Oc4ccccc4 -MOL_01_034081,Nc1ccc(C(=O)O)cc1C(=O)N(CC)CC(=O)Nc2ccc(OC)cc2 -MOL_01_034082,n1onc(c12)ccc(c2C(=O)O)Nc3cccc(Cl)c3F -MOL_01_034083,CCC(N1O)=NN(O)c(c12)ccc(c2)OCCCN3CCOCC3 -MOL_01_034084,N=1C=NC(C12)=NC(=O)N(C2=O)Cc3ccccc3 -MOL_01_034085,c1cnccc1C(=O)NN2C(=O)CCCC2c3ccc(F)cc3 -MOL_01_034086,Oc1cc(ccc1)NC(=O)c2ccc(c(c2)C(=O)O)NCCCN3CCOCC3 -MOL_01_034087,C1CCCC1Cc(c2O)c(C)cc(c23)c(O)ccc3 -MOL_01_034088,Fc1cccc(F)c1CC2=C(N=C2)Nc3ccc(cc3)Oc4cccnc4 -MOL_01_034089,Nc1cccc(c12)n(c(n2)F)CCOc3ccccc3 -MOL_01_034090,CCCNC(=O)c1cccn1-c(c2)ccc(c23)COS3O -MOL_01_034091,c1ccccc1NCCN/C(=S\O)c2cccnc2Oc3ccccc3F -MOL_01_034092,CNCNCCc1ccn(c1)CCc(c2)cc(N)c(c23)nc(N)cc3 -MOL_01_034093,Cc1cc(c(S(=O)O)c(n1)O)OC(=O)c2ccc(cc2)OC(C)C -MOL_01_034094,c1cc(Cl)cc(c12)N(O)C(=C(C)N2O)C(=O)NCCO -MOL_01_034095,c1cccc(c12)nc(n2COC(=O)C)C(O)Cc3ccccn3 -MOL_01_034096,Oc1ccc(cc1)N(C(=O)C)C2NC(=O)N(C2=O)c3ccccc3 -MOL_01_034097,CCC(CC)c1ccc(cc1C(=O)O)C2=CCC(=O)CC2C -MOL_01_034098,CCC(=C)C(=O)c1ccc(c(N)c1N)OCC(=O)NCCc2ccc(O)c(c2)OC -MOL_01_034099,CCOc(c1)ccc(c12)nc(s2)OCc(s3)nc(c34)cccc4 -MOL_01_034100,c1cccc(c12)C(O)=C(C2=O)/C=S/CCCN3CCCC3=O -MOL_01_034101,CCCc1cc(O)nc(n1)CCC(=O)N2CCN(CC2)S(=O)(=O)c3ccccc3 -MOL_01_034102,C1CCOC1CNc2nc(N)c(C(=O)O)c(n2)Nc3ccc(Cl)cc3 -MOL_01_034103,CCCCC/C(C)=N/N=C1\CCC(=O)N1CN(C2=O)C(=O)c(c23)cccc3 -MOL_01_034104,COc1ccccc1OCCSCC(O)c2ccc(C)c(S(=O)(=O)Cl)c2 -MOL_01_034105,CC(=O)c(c1)cnc(c12)cc(C)c(c2)O -MOL_01_034106,C1CCC(=C12)N(O)c3c(N2O)cc(c(F)c3)N4CCCC4 -MOL_01_034107,n1cccc(c12)ccc(c2S)C(Nc3ccccn3)c4ccccc4 -MOL_01_034108,Oc1cccc(O)c1-c2ncn(O)c2-c3c(O)cccc3O -MOL_01_034109,CC(C)(C)c1ccc(cc1)-c2nc(N)nc(F)c2O -MOL_01_034110,CCOC(=O)C(C)NC(CC(=O)N(C)CC)c1ccc(OC)c(c1)OC -MOL_01_034111,CC(C)c1cc(ccc1O)Cc2c(C)cc(cc2C)OC[N+]3([O-])OCCC(O3)c4cccnc4 -MOL_01_034112,N=1C=CC(=O)C(C12)=CC(=C2C)c3ccc(N)cc3 -MOL_01_034113,CCOC(=O)C(C)NC(=O)OCCOCn1ccc(c12)c(OC)cc(F)c2 -MOL_01_034114,c1ccccc1CN2C(=O)/C(OC2=O)=C/c3ccc(cc3)OCC(O)CNCc4cccnc4 -MOL_01_034115,Clc1ccccc1NC(=O)NC(C(C)CC)C(=O)NCCC(C=2)=c(c23)cccc3 -MOL_01_034116,Cc1ccc(cc1)S(=O)(=O)N(S2O)N=Cc(c23)cc(Cl)cc3 -MOL_01_034117,O=C(O)CCC(N=1)=NC(=O)C(C12)=C3C(=N2)CCCCC3 -MOL_01_034118,O=C(O)c1ccccc1/C=C/Nc2cc(N3CCCC3)nc(n2)N4CCCC4 -MOL_01_034119,S=C=Nc1cccc(c1)-c2cc(Cl)cc(c23)cccn3 -MOL_01_034120,COc1ccc(OC)c(c1)NC(=O)CCC(=O)Nc2nnc(o2)C(F)(F)F -MOL_01_034121,CC(C)CN1C(=O)CNC1c2ccncc2-c3ccc(O)cc3 -MOL_01_034122,O=C1N=NC(=N1)C(=O)NCC(CC)Oc2ccccc2C(F)(F)F -MOL_01_034123,Oc1ccc(cc1)/C(C)=C/NC(=O)CNC(=O)CCc2ccccc2 -MOL_01_034124,c1cccc(c1=2)=C(C)C2/C=N/NC(=O)C(O3)COc(c34)ccc(c4)C(C)(C)C -MOL_01_034125,Oc1ccc(OC)cc1C2=CC(=O)N=N2 -MOL_01_034126,c1ccccc1/C=C/C(=C)NC(C(=O)NC2CCCCC2)CCC(=O)c3ccccc3 -MOL_01_034127,CCOS(=O)(OCC)Cc1cccc(c1)Nc2cc(ncn2)-c3cccc(N)c3 -MOL_01_034128,N1=CC(=C1C)c2ccc(cc2OC)C(=O)NCc3cccc(c3)-c4ccccc4 -MOL_01_034129,OCc1cc(ccc1)C2=CCC(O2)C(=C)Cc3ccccc3O -MOL_01_034130,Cc1ccnc(c1)NC(=O)NC2CCN(CC2)c3cccc(c3)C(N)(N)N -MOL_01_034131,COc1ccccc1CC(=O)Cc(c2)ccc(c23)nc(C)cc3N -MOL_01_034132,Clc1ccc(cc1)/C=C2\CC(=C)N(C2=O)c3ccc(C(=O)O)cc3 -MOL_01_034133,CCCc1ccc(cc1)S(=O)(=O)N(C)c2ccc(cc2)CCC(=N)NC3=NCCS3 -MOL_01_034134,C/C=C/c1cc(c(C(C)C)nc1NC)Nc2cnc(C)cc2C -MOL_01_034135,CN(C)CCNC(N1O)=NN(O)c(c12)ccc(c2)OCC3CC3 -MOL_01_034136,CCCCN(C(C)C)C(=O)CCCOc(c1)ccc(c12)S=C3N(C2)CC(=O)N3 -MOL_01_034137,COc1ccc(cc1OC)CCNC(=O)c2nc(ncc2Cl)OCc3ccc(F)cc3 -MOL_01_034138,O=C(O)c1ccc(cc1)N2C(=O)CNC2c3ccccc3 -MOL_01_034139,Cc1ncc(C(=O)O)n1CCN2CCN(CC2)c3ccc(F)cc3 -MOL_01_034140,CC12C(=C1)C=C(C=C2)S(=O)(=O)CCC(=O)OCC(=O)N3CCN(CC3)c4ccccc4 -MOL_01_034141,COc1cccc(c1)C(=O)NCC(N)C#Cc2ccc(s2)C(N=O)N3CCOCC3 -MOL_01_034142,COc1ccc(cc1)C2OCC(=O)N2NC(=O)CNC(=O)c3ccccc3 -MOL_01_034143,c1ccoc1C(=O)NCc2n(C)c(nn2)OCC(=O)Nc3cccc(F)c3 -MOL_01_034144,O=C(O)Cc(c1)ccc(c12)oc(c2)-c3ccc(cc3)/C=C/C(=O)Nc4ccc(F)cc4 -MOL_01_034145,Nc1cc(c(I)cn1)-c2cccc(n2)NCc3cccc(F)c3 -MOL_01_034146,c1cccn1CC(c2ccc(N)cc2)CC(=C)N3CCN(CC3)c4ccc(N)c(N)c4 -MOL_01_034147,O=CCCc(c1)ccc(c12)C(=O)OCCO2 -MOL_01_034148,O=C1C=CC(=O)S1C(C(=O)O)c2csc(c23)cccc3 -MOL_01_034149,CC(O)Oc1cccc(c1)C(=O)CC2=COOC2 -MOL_01_034150,CCCNc1ncc(o1)C(=O)Nc2cc(C(=O)NC)ccc2C -MOL_01_034151,CCC(=O)Cc1cc(sc1C(=O)C)-c2ccccc2 -MOL_01_034152,CC(=O)N(C)C1=C(C=C1)Nc2nccc(n2)-c3cccnc3 -MOL_01_034153,C#Cc1cc(C(=O)O)ccc1NC(=O)COC(=O)CCC -MOL_01_034154,COc1ccc(c(c1)S(O)O)CC(=O)N2CCC(CC2)Oc3ccc(C(F)(F)F)cn3 -MOL_01_034155,c1ccccc1C(=O)NCCN(CC(C)N2CCCC2)C(=O)Cc3ccc(O)c(N)c3 -MOL_01_034156,COc1ccccc1C2(c3c(OC)c(=O)c3=O)OCCCO2 -MOL_01_034157,NC(=O)CCC(C(=O)N)NC(=O)CCc1cc(co1)-c2ccc(cc2)-c3ccccc3 -MOL_01_034158,C1=CC=C(C=C2)C1=CC23C(C(=O)NC(C)C)CCN(C3)Cc4cccc(c4)OCc5ccccc5 -MOL_01_034159,C=C(C)C/C=C1\CCc(c12)cc(O)c(C)c2O -MOL_01_034160,CNC(=C)c1cnc(cn1)Cc(c2)ccc(c23)CCN3C -MOL_01_034161,Oc1cc(C)ccc1C(CC)C(=N)c2ccc(CO)cc2C(C)(N)N -MOL_01_034162,C=CCOC(=O)C(N1O)=C(C)N(O)c(c12)cc(Cl)c(Cl)c2 -MOL_01_034163,COc1ccc(cc1)NC(=O)Cc2nnc(n2C)OCC(=O)Nc3ccc(F)cc3 -MOL_01_034164,c1cnccc1-c2nnc(n2CCC)OCC(=O)NCc3ccccc3 -MOL_01_034165,CC(C)COc1cc(C(=O)O)c(O)c(Cl)c1-n2cccc2 -MOL_01_034166,CNc(n1)c(CC)nc(c12)cc(cc2)CNc3ccc(C(=O)O)cc3 -MOL_01_034167,COc(c1)ccc(c12)N(O)C(=NN2O)NCOCc3ccccc3 -MOL_01_034168,COc1ccc(O)cc1N(C=O)CC(=O)NC23CC4CC(C)(C2)CC(C)(C4)C3 -MOL_01_034169,COC12C=CC(C=C1)(C=C2C)CC3CCCN3CC(O)COc4cccc(Cl)c4C#N -MOL_01_034170,C=CCOC(=O)CCCCN(C)C(=O)c1ccc(cc1)-c2cnco2 -MOL_01_034171,CCCNC(=O)c1c(O)nc(O)c(F)c1F -MOL_01_034172,COc(c1)ccc(c12)CNC(=O)C3CCN(CC3)Cc4c(\C=C\2)ccc5c4cccc5 -MOL_01_034173,CC(=C1)C(C)=C(C1=2)C(=CC(=O)C2)CCc3nnc(n3N)Cc4ccccc4N -MOL_01_034174,COC(=O)c1cc(I)c(c(Cl)c1O)-n2cccc2 -MOL_01_034175,Fc1cc(Cl)ccc1S(=O)(=O)NC2=CCCCCC2 -MOL_01_034176,COc1cccc(C)c1CCC(N)C(=O)NCc(cc2)cccoc(c23)cccc3 -MOL_01_034177,O=C(O)c1cc(OCCO)c(c(Cl)c1O)-n2cccc2 -MOL_01_034178,CCOC(=O)N1CCN(CC1)C(=O)CCCCN(C(=S)N=2)C(=O)C(C23)=CC=C3 -MOL_01_034179,COc(c1)c(NC)cc(c12)c(ccc2)-c3ccc(nc3)NC4CCCC4 -MOL_01_034180,c1cccc(c12)N(O)C(=C(N)N2O)c3ccc(Cl)cc3 -MOL_01_034181,COc1ccc(cc1)Nc2nccc(c23)[I](N=N3)C -MOL_01_034182,CC(=O)NCCNc1nc(cc(n1)C(=O)C)NC(c2ccccc2)c3ccccc3 -MOL_01_034183,c1cccc(c12)C(=O)C(O)C(=O)C2Cc3ccccc3 -MOL_01_034184,CC(C)CC(=C)c1c(CC)cc(OO)cc1CCC(O)CCC(O)O -MOL_01_034185,C1CCOCCN1C(c2ccc(N)cc2)CNC(=O)c3cccc(N)c3N -MOL_01_034186,O=Cc1cn(nn1)Cc2cc(-c3ccccc3)ccc2N4CCNCC4 -MOL_01_034187,CCCOc1ccc(cc1)N2C(=O)CC(C2=O)C/C(=N/CC)Nc3cccc(F)c3 -MOL_01_034188,c1ccccc1C(C2)/C(=C(\O)OC)C(C)=Nc(c23)cccc3 -MOL_01_034189,COc1cccc(N)c1-c2cc(N)nc(n2)N -MOL_01_034190,N#CCn1nnc(c12)cc3c(c2N)nccc3 -MOL_01_034191,O=Sc(c1O)c(O)nc(c12)c(F)c(Cl)c(F)c2 -MOL_01_034192,NC(N=1)=NC(=O)C(C12)=NC(=N2)SCc3ccc(F)cc3F -MOL_01_034193,CC(C)Oc(c1)ccc(c12)N(O)N=C(N2O)NCCN(C)C -MOL_01_034194,Nc1nnc(cc1)C(C#N)c2c(N)cccc2F -MOL_01_034195,c1ccncc1C(=O)N/C=N/c2c(OC)c(ccc2)OCC(O)CN(C(C)C)C(C)C -MOL_01_034196,CCC(C)(CO)NC(=O)Nc(c(c1)OC)cc(c12)OCCO2 -MOL_01_034197,C=C(C)Nc1ccc(cc1)Cc2ccc(cc2F)N3CC(CC3=O)C/N=C(\C)N(C)C -MOL_01_034198,CCC(=C)Nc1cccc(c1)Cc2nc(C)cc(C)c2C#N -MOL_01_034199,O=C(O)c1c(O)cc(cc1)NC(=O)Nc(o2)nc(c23)ccc(Cl)c3 -MOL_01_034200,NC(N=1)=NC(=O)C(C12)=NC(=N2)SCc3ccc(F)c(F)c3 -MOL_01_034201,COc1ccc(cc1N)-c2ccc(o2)CNc(c3)ccc(c3=4)=NC(N4)=O -MOL_01_034202,CNC(=O)CCC(C=O)NC(=O)c1cc(F)cc(F)c1 -MOL_01_034203,Cc1c(C(=O)N)n(C)c(=N)n(C)c1=N -MOL_01_034204,c1cnccc1CN2C(=S)CSC(C23)CN(C3)Cc4cccnc4 -MOL_01_034205,CCOC(=N)C(=O)Nc1cccc(C(C)C)c1C=O -MOL_01_034206,CCC(C)Oc1nnc(n1CCCC)CNC(=O)C23CC4CC(C2)CC(C4)C3 -MOL_01_034207,CCc1ccccc1C(=C)c2cnc(nc2N)NC3CCN(CC3)C(=C)CCC -MOL_01_034208,CCc1ccccc1Nc2nc(co2)-c3ccc(O)cc3O -MOL_01_034209,CC(C)(O)CCCCC(O)C(NC=O)Cc1ccccc1 -MOL_01_034210,Cc(c1)ccc(c12)SC(C)C(=S)N2CCC(=S)NCCCN3CCCC3 -MOL_01_034211,CNC(=O)Cn1cnc(c12)c(Cl)c(Cl)c(Cl)c2Cl -MOL_01_034212,Cc1ccc(C(=O)N)cc1C(=O)/C=C/c2cccc(c2)NCc(n3)ccc(c34)cccc4 -MOL_01_034213,Nc1cnc(cn1)OCCCCCCN2CCN(C2=O)c3cccnn3 -MOL_01_034214,c1cncn1CC(C(=C)CCC(C)C)NC(=C)c2cnc(nc2)-c3ccccc3 -MOL_01_034215,CC1=NN=c(c12)cc3c(c2)=C(N=N3)C -MOL_01_034216,CCC(C(=O)O)Cc(c1)ccc(c12)OCCC(/C)=N\C/C=C\C=C\C(=O)NC2 -MOL_01_034217,Cc1ccccc1CCC2CCCN(C2)C(=O)CNC(=O)N(C)C -MOL_01_034218,c1ccoc1C(S(=O)(OC)OC)OC(=O)COc2ccc(Cl)cc2C -MOL_01_034219,CC12C(=C1)C=C(C=C2)C(=O)N/C(=C/c3ccccc3)C(=O)NCC4CCCO4 -MOL_01_034220,CC(=O)C(C)CC(=O)c(c1C)nc(C)c(c12)cccc2 -MOL_01_034221,CC(=O)NC(C)CCCC12c3c(CC(=O)N(CC1)CC2)ccc(c3)C(C)(C)C -MOL_01_034222,CC(C=1)=NC(C12)=NC(=NC2=O)CNC(=O)NCc3ccc(F)cc3 -MOL_01_034223,Oc1cccc(c1)-c(o2)cn(c23)c4c(n3)cccc4 -MOL_01_034224,COc1c(CC)cc(cc1OC)C(=C)c2ccc(cc2)OC(N)(N)N -MOL_01_034225,CSc1cccc(c1)C(S)Cn2cc(nn2)-c3cccc(c3)CSN=C(C)C -MOL_01_034226,c1ccccc1OC(C)C(=O)NC2=C(N=N2)c(c3)ccc(c34)OCO4 -MOL_01_034227,Cc1ncc(C(=O)O)n1CC(=O)N/N=C/c2ccc(F)cc2F -MOL_01_034228,OCCNC(=O)c1cnc(cn1)Oc(c2)ccc(c23)CO[I]3O -MOL_01_034229,COc1c(OC)cc(cc1NC)C(=O)Oc(c2)ccc(c23)ccc(c3)N -MOL_01_034230,C1CC1N/C(=C\O)c2ccc(C)nc2Oc3ccc(O)cc3 -MOL_01_034231,O=C1C(=O)N=C(N12)NC(=S2)c3ccccc3 -MOL_01_034232,O=C1N=Nc(c12)c(Cl)c(c(Cl)c2)-n3cccc3 -MOL_01_034233,Oc1cc(N)c(cc1N)C2=CN(CC2)C(=O)C3CC3 -MOL_01_034234,CCOc1cc(CC(=O)O)ccc1-c2ccc(F)cc2CNC(=O)F -MOL_01_034235,CCOC(=O)NCc1cn(c(=O)c(c12)cccc2)CCN3CCCC3 -MOL_01_034236,Cc(c1)ccc(c12)nc(N)c(c2)/C=C/C(=O)c3ccc(s3)N -MOL_01_034237,c1ccccc1C(=O)CC(C(=O)O)(Cc2ccc(O)cn2)Cc3ccccc3 -MOL_01_034238,c1ccsc1C2=BOC(=O)C\2=C/c3ccsc3 -MOL_01_034239,CCN(CC)CCNC(N1O)=C(C#N)N(O)c(c12)cccc2 -MOL_01_034240,C1CCOC1(/C(S)=C/C)c2cccnc2 -MOL_01_034241,CCN(CC)c1cc(nc(n1)O)NC(C)c2ccccc2 -MOL_01_034242,NC(N=1)=NC(=O)C(C12)=NC(=N2)SCc3ccccc3F -MOL_01_034243,CCc1nnc(o1)NC(=O)c2nc(Cl)ccc2Cl -MOL_01_034244,NC(=O)Cn1cnc(c12)c(Cl)c(Cl)c(Cl)c2Cl -MOL_01_034245,C1OOOC1CC(=C)CC(C(=C)C2)C(=O)C2(c3ccccc3)c4ccccc4 -MOL_01_034246,O=C1OC(=O)C(O1)Cc2ccc(cc2)OCCn3ccc(c34)cccn4 -MOL_01_034247,Cn1cccc1/C=C2\SC(=S)P(C2=O)CC(=O)O -MOL_01_034248,CC(=S)NCC1CN(C(=S)S1)c(c2)ccc(c23)CCN(C=O)CC3 -MOL_01_034249,CCCS(=O)(=O)NCCC(C(=O)NC)CNC(=O)c1ccc(O)cc1F -MOL_01_034250,NC(N)(N)c1ccc(cc1)-c2cnc(C)cc2NC3CCCCCC3 -MOL_01_034251,CCCCC1OC(=N)c(c12)c(O)ccc2 -MOL_01_034252,CCN1C(=O)CC(C(=O)NC)OC\1=N\c2cc(Cl)c(O)c(Cl)c2 -MOL_01_034253,c1ccccc1S(=O)(=O)/C(N)=C/c(c(n2)N)cc(c23)cccc3 -MOL_01_034254,Cc1cc(O)c(F)cc1Oc2c(F)cc(cc2F)CC(N)C(=O)O -MOL_01_034255,Cc(c1)ccc(n12)cc(c2)CCc3ccc(N)cn3 -MOL_01_034256,CCCS(=O)(=O)N(S1O)N=Cc(c12)cc(Cl)cc2 -MOL_01_034257,C1=CCC(C)(C)C(C1=2)=CCC(=C/C)\C2Nc3ccc(NC(=O)OC)cc3NC -MOL_01_034258,C=C(C)c(n1)ccc(c12)c(N)c3n2cccc3 -MOL_01_034259,COc(c1)ccc(c12)N=c3c(C2=O)cc=4c(c3)C(=O)c5c(N4)ccc(c5)OC -MOL_01_034260,CCOC(=O)c1ccccc1NCC2=CCCN2 -MOL_01_034261,Cc1ccncc1C(=N)CCc(c2)ccn(c23)c(C)c(c3)C -MOL_01_034262,CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)C2=COCCO2 -MOL_01_034263,c1ccccc1CN(CCN(C)C)c2ccc(C(=O)O)cc2C(F)(F)F -MOL_01_034264,CCOC(=O)NCCCNC(=O)c1cccc(c1)N(C(=O)C)Cc2ccccc2 -MOL_01_034265,Nc1cc(ccc1)NC(=O)NC(CCC)c2cccc(c2)NC(=O)OC(C)(C)C -MOL_01_034266,CCOC(=O)Cn1c(N)c(sc1=O)C(=O)OC -MOL_01_034267,N1N(N2)C12c3cc(cc(c3)C45N(N4)N5)C(=C)N(CC6)CCC67CCCN(C7)c8ccccc8 -MOL_01_034268,COc1ccc(cc1)C2OCC(=O)N2CCc3ccc(OC)c(c3)OC -MOL_01_034269,c1cccc(c12)c(cc(n2)C)C3=CC(=O)N=N3 -MOL_01_034270,CCc1ccccc1-c2ccc(c(N)c2)-c3cnc(N)cn3 -MOL_01_034271,CN(C)C(=O)CCCC(CCCC(=O)O)c1cccc(c1)/C=C/c(n2)ccc(c23)ccc(c3)N -MOL_01_034272,c1ccccc1-c2nn(nn2)Cc3n(C)c(nn3)OCc4ccccc4O -MOL_01_034273,Fc1ccc(cc1)/C=C/C(=O)Cc2cc(S(=O)(=O)C3CCOCC3)ccc2C4CCCC4 -MOL_01_034274,Cc1c(N)cccc1/N=C(\O)N(C2)CCc(c23)cccc3 -MOL_01_034275,N1=CN=C1CCNC(=O)NC(CC)C2CCN(CC2)C(=O)c3ccc(C)c(C)c3 -MOL_01_034276,CCNc1ccc(cc1CCC)CCNC(=O)CNC(=O)Cc2ccc(F)cc2 -MOL_01_034277,CCOc(c1)ccc(c12)nc(o2)NCc(o3)nc(c34)cccc4 -MOL_01_034278,C#CC1(CC1)CC(=O)C(CC(C)C)CC(=O)c2cc(co2)-c3ccco3 -MOL_01_034279,NC(N=1)=NC(=O)C(C12)=NC(=N2)SCc3cccc(F)c3 -MOL_01_034280,CCC(O)CN1CCN(CC1)C(=O)Cc2cc(O)ccc2NC -MOL_01_034281,O=C([P])c1cc(F)cc(F)c1OCc2ccc(F)c(c2)C(=O)P3CCPCC3 -MOL_01_034282,CN1C(=O)C/C(C1=O)=C\c2ccccc2OCc3ccc(C(=O)O)cc3 -MOL_01_034283,O=C(O)c(c1)ccc(c12)=C(CCC(C)O)C(=C)C=2COCCO -MOL_01_034284,CCCC(=O)N(C)c1cc(C)cc(c1)CCc2cccc(O)c2 -MOL_01_034285,O=C(O)c1ccc(cc1)C(/C=C/CC)/C(=C/C)C(=O)OCc2ccccn2 -MOL_01_034286,O=C(O)c1nccc(n1)-c2ccc(OC(F)(F)F)c(I)c2 -MOL_01_034287,Oc1c(OC)cc(cc1OC)C(=O)NC2=CC(=N2)C(=O)NC(CC3)CCC3(C)C -MOL_01_034288,CC(C)CC(N(C)C)CNC(=S)c1cccnc1Sc2cccnc2 -MOL_01_034289,C=C1C=CN(C(CC)=C1C)CCNNc2ccnc(c23)cc(C)cc3 -MOL_01_034290,CCNCc1cc(c(F)cc1Cl)C2(C)C=C(N)OCC2 -MOL_01_034291,c1ccccc1NC([N+]([O-])(OCCCC)OCCCC)c(c2)ccc(c23)OCO3 -MOL_01_034292,CCNc(n1)nc(NCC)n(c12)c(nn2)OCC(=O)Nc3ccccc3Cl -MOL_01_034293,c1cc(Cl)cc(c12)N(O)C(=NN2O)NCCN3CCCCC3 -MOL_01_034294,c1cccc(c12)ccc(c2)C(C)Nc3ncpc(n3)-c4ccc(cc4)CC(N)C(=O)O -MOL_01_034295,CCO[N+]([O-])(OCC)/C(C#N)=C/c(c1=O)coc(c12)cc(C)cc2C -MOL_01_034296,COc1ccc(cc1)/C=C(\C#C)/C=C2\OC(=O)N(C2=O)CC(=O)O -MOL_01_034297,c1ccccc1COC(=O)N(C)c2ccccc2CN(C3CC3)C(=O)CCC(=O)O -MOL_01_034298,CCc1nc(N)cc(N)c1CCCc2cc(OC)ccc2OC -MOL_01_034299,CC(=O)Nc(c1S(=O)O)ccc(c12)cccn2 -MOL_01_034300,COc(c1)ccc(c12)C3P(CCC2)CCc4c3cc(OC)c(c4)OC -MOL_01_034301,Bc1cc(I)c(cc1B)C2NC(=O)N(C)C2=O -MOL_01_034302,C=CCC(=O)C(CC1)CC12CCC(CC2)N(C)c3cc(ncc3C)Cc4cnn(C)c4 -MOL_01_034303,C=CCN1C(=O)CSC\1=C/c2sccc2C(=O)OC -MOL_01_034304,N=C1CCCC(=O)C1C(=O)c2ccccc2C3(N)NN3 -MOL_01_034305,CCOC(=O)c1ccccc1NCN2C(=O)COC2=O -MOL_01_034306,c1cccc(c12)n(C)c3c(c2=O)ccc(c3)/C=C/C4(N)CCCCC4 -MOL_01_034307,COc1ccccc1C(=O)/C=C/CCCn2cc(nn2)-c3ccccc3 -MOL_01_034308,O=C1N=CN=C(C1=2)N=C(N2)C(O)c3ccccc3 -MOL_01_034309,CC1=C(N=C1)NC(=O)C2C=CCN2C(=O)C(CNO)CC3CCCC3 -MOL_01_034310,CC(=O)CCc1ccc(o1)-c2csc(n2)C/C(C)=C/C(C)C -MOL_01_034311,Fc1ccc(cc1F)PC(=O)c2c([P])cc(OCC)c(c2)PC(=O)/C=C/CP(C)C -MOL_01_034312,Cc1nnc(n1C)SCc2cnc(o2)-c3ccc(C(C)C)cc3 -MOL_01_034313,O=Cc1ccc(F)cc1OC(=O)C(C(C)C)NC(=O)OCc2ccccc2 -MOL_01_034314,O/C=C(\C)c1cc(O)ccc1C -MOL_01_034315,COc1ccc(cc1)/S=C(\c2ccccc2)n3nc(C)cc3C -MOL_01_034316,CCOP(=O)(OCC)/C(S(=O)(OCC)OCC)=C\c1c(cccc2)c2cc(c13)cccc3 -MOL_01_034317,c1ccccc1C2(C(=C)N(C)C(=N2)N)c3cccc(c3)CC -MOL_01_034318,CC1(C)N(C)C(=O)CC1N(C)C(=O)Nc2ccccc2 -MOL_01_034319,CCc1ccc(O)cc1C(=O)Cc2nnc(n23)CCC3 -MOL_01_034320,C1OC1(C)C(=O)Nc2ccc(S(=O)O)c(C(F)(F)F)c2 -MOL_01_034321,COC12C=CC(C=C1)(C=C2OC)CCC(=O)CCc3ccc(OC)c(c3)OC -MOL_01_034322,CCCNC(=O)c1nccnc1Cc2ccc(cc2)Nc3ccccn3 -MOL_01_034323,O=C(N=1)C(=O)N=c(c12)ccc(c2)S(=O)(=O)N3CCOCC3 -MOL_01_034324,c1cccc(c12)nnn2CCC(=O)Nc3nnc(o3)Cc4ccccc4 -MOL_01_034325,c1ccccc1C(C)NC2=NN=C(CS2)c(c3)ccc(c3=4)=NC(N4)=O -MOL_01_034326,C1CCCCN1C(=C)c2ccc(nc2)NC(=N)CCc3ccc(C)cc3 -MOL_01_034327,COC(=O)BC1CSCC1OC(=O)Cb(c2=O)c(=O)c(c23)cccc3 -MOL_01_034328,Oc1cc(cc(c1)C)C(=C)NCC2(C(=O)OC)CCN(CC2)Cc3ccccc3C(N)(N)N -MOL_01_034329,Cc1cncc(c1)NC(=O)Nc2cc(C3(N)BN3)ccc2N -MOL_01_034330,Clc(c1)ccc(c12)N(O)C(=NN2O)NC3CCCCC3 -MOL_01_034331,C1CNCCN1C(=O)c2cnc(nc2)C(CC3)CCC34OOC5(O4)C6CC7CC(C6)CC5C7 -MOL_01_034332,Oc1ccc(cc1)/C=C2/C(=O)N(CC(C)C)/C(C2)=N/c3ccccc3 -MOL_01_034333,c1nccnc1C(=C)N/N=C/c(c(n2)N)cc(c23)cc(cc3)CC -MOL_01_034334,CC(C)Cc1nc(oc1C)CCOc2ccc(cc2)CC3CC(=O)NC3=O -MOL_01_034335,Nc1cccc(c1N)-c2ccc(nc2)N3CCCCCC3 -MOL_01_034336,CC1CN1/C(=N\S)c2ccc(nc2)Sc3c(F)c(F)cc(F)c3F -MOL_01_034337,CCC(N1O)=NN(O)c(c12)cc(cc2)OCCCO -MOL_01_034338,O1CCOC12CCN(C2)C(=O)OCC3(CCC3)c4ccc(O)cc4 -MOL_01_034339,c1ccccc1C2=C(N=C2)C(CCCCCC(=O)C)NC(=O)C3CCN(C)CC3 -MOL_01_034340,C=CCCNc1cccc(c1)-c2cc(ncc2C)NC3CCC(N)CC3 -MOL_01_034341,Cc1cc(C)cc(c1)NS(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_034342,COCC(C)NC(N1O)=NN(O)c(c12)cc(F)cc2 -MOL_01_034343,Cc1cccc(c12)cc(c(n2)Cl)/C=S/NC(=O)CN3CCOCC3 -MOL_01_034344,COc1ccc(cc1)/C=C/c2ncc(S(=O)O)n2CC(C)O -MOL_01_034345,c1ccccc1/N=C2\OC(C(=O)NC)CC(=O)N2CCCc3ccccc3 -MOL_01_034346,CC(C)C1=SNC(N12)C=CC(=C2)CCc3ccc(F)cc3F -MOL_01_034347,CCC(C)(C)C(=O)C(=O)N(C1(C)C)C(CO1)C(=O)OC/C=C/c2ccccc2 -MOL_01_034348,O=C1N=Nc(c12)cccc2-c3ccccc3 -MOL_01_034349,Cn1c(C(=O)O)cnc1COc2ccnc(c2)N3CCNCC3 -MOL_01_034350,C1CC1COCCOc2cc(C#C)c(cc2)OCC(O)CNC -MOL_01_034351,Cc1cccn(c12)c(cn2)CCCCNC3CCCCN3 -MOL_01_034352,Oc1c(C)cc(cc1C)/C=C/C(=O)CCOc2ccccc2 -MOL_01_034353,c1cc(O)ccc1CCC(=C/c(c23)cc(O)cc2)\CNC(=O)c4c(CNCC3)cccc4 -MOL_01_034354,c1ccoc1C(=O)N2CCP(CC2)C(=O)c3ccccc3OCc4ccccc4 -MOL_01_034355,COCOc1ccccc1C(=O)/C=C/c(c2)ccc(c23)COS3O -MOL_01_034356,Cc1ccc(C)c(c1)S(=O)(=O)N/S=C/c2ccc(F)cc2 -MOL_01_034357,c1cccc(c12)N(O)C(=NN2O)NC(C34)C5CC(C3)CC(C4)C5 -MOL_01_034358,CCc1ccc(cc1)C(N2CCN(C)CC2)CNC(=O)C(=O)CC3CCCCC3 -MOL_01_034359,COc1ccccc1N2CCN(CC2)/S=C/c3cc(S(=O)O)ccc3Cl -MOL_01_034360,O=C(O)C(N)Cc1cc(Cl)c(c(Cl)c1)Oc2ccc(O)c(c23)CCCC3 -MOL_01_034361,Cc1cc(=O)sc(C)c1C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2 -MOL_01_034362,C1COCCN1C2=NC(=O)/C(C2)=C\c3ccc(cc3)OS(=O)(=O)c4ccccc4 -MOL_01_034363,CC(O)Cn1c(C(=O)O)cnc1/C=C/c2cccc(O)c2 -MOL_01_034364,O=C(O)c1ccc(o1)/C=N/NC(=O)c2ccccc2Oc(ccc34)c(c3)oo4 -MOL_01_034365,Nc(c1)ccc(c12)c3c(cc2C)cc(cc3)C(=O)NCCN4CCCCC4 -MOL_01_034366,c1ncc(n12)ccc(c2)C(=C)NCc3ccc(cc3)C(=C)Nc4ccccc4N -MOL_01_034367,O=SN1CCCC1c2cccnc2 -MOL_01_034368,c1ccccc1C(CCCC)NC(=O)NCC(=O)NCc2ccc(O)cc2 -MOL_01_034369,CCN(C(=O)C)c1c(Cl)cc(Cl)c(c1Cl)CCC(=O)O -MOL_01_034370,CC(N=1)=NC(=O)C(C12)=NC(=N2)Nc3cccc(C)c3 -MOL_01_034371,O=C(O)c1ccc(cc1)/C=S/Nc2ccnc(c23)cc(Cl)cc3 -MOL_01_034372,CC(=O)C1CCC(CC1)n2cc(nn2)CC(C3)CCc(c34)scc4 -MOL_01_034373,OCc1ccc(cc1C(=O)C)CC2CCN(C2)Cc3cccn3C -MOL_01_034374,Cc1cccc(c1)/C=C/c2ccc(nc2)C(=O)NC(C)C(C)C -MOL_01_034375,CC(C)(C)NC(=N)N1CC(C)CC1C(=N)NCC(=N)c2ccccc2 -MOL_01_034376,COc1ccc(cc1O)-c(c2)cc(C(=O)O)c(c23)cc4c(c3)OCCO4 -MOL_01_034377,CCCC(=O)NCCNc1cc(cc(c1)C(C)(N)N)-c2cccc(c2)CC -MOL_01_034378,c1cccc(c12)coc3c(oc2)cc(cc3OC)/C=C/C(=O)c4cccs4 -MOL_01_034379,Cc1ccc(cc1)Oc2ccc(cc2)P(CC(O)C(=O)PO)S(=O)(=O)c3ccccc3 -MOL_01_034380,CCC1CN(C)Cc(c12)cc3c(c2)c(C(C)(N)N)cc(c3)C -MOL_01_034381,Cc1ncc(C(=O)O)n1CCn2cnc(c23)cccc3 -MOL_01_034382,COCC(C)N/C(=C/O)c1cccnc1Oc2ccc(CC)cc2 -MOL_01_034383,Cc1noc(C)c1CN(C)CC(c2ccco2)N3CCOCC3 -MOL_01_034384,COc1cccc(c12)N(O)N=C(N)N2O -MOL_01_034385,O1COc(c12)ccc(c2)NC(=O)C/C(C)=C/NC(=O)c3ccc(N)cc3 -MOL_01_034386,c1ccccc1C2(OP(=C)(NC2)OC)c3ccccc3 -MOL_01_034387,O=C(O)c1cnc(n1CCO)/C=C/c2c(F)cccc2F -MOL_01_034388,Cc1ccccc1-c(c2)cc(c(c23)cccc3)CCC(O)CO -MOL_01_034389,Cc1cccc(c1)CNc2ncc(S(=O)O)c(n2)NCC3CCC(CN)CC3 -MOL_01_034390,CN1CCCC1CNC(=O)CNC(=O)N(/C=C/C=O)c2cccc(C(F)(F)F)c2 -MOL_01_034391,O=C(N=1)N=c(c12)cccc2Oc3ccc(cc3)NS(=O)(=O)c4ccccc4 -MOL_01_034392,CCC(C1=O)NC(N12)=NCN(C2)c3ccccc3 -MOL_01_034393,C1SCCOC1C(=O)Nc2ccc(cc2)C(=O)NCCCN3CCN(CC3)c4ccc(F)cc4 -MOL_01_034394,N#CC(N1O)=C(N)N(O)c(c12)cc(C#N)cc2 -MOL_01_034395,COC(=O)C1=C(C)C=C(C)/C(=C(/O)OC)C1/C=C/c2ccccc2 -MOL_01_034396,CCNC(=O)C(C)c1ccc(cc1)NC2CCN(C2)c3cccc(C)c3 -MOL_01_034397,CCCNc1ccccc1NCC(=O)Nc2ccc(S(=O)O)cc2OC -MOL_01_034398,C1CC1CC(=O)P(Cc(n23)ncc3)CC(C2)Cn4ncccc4=O -MOL_01_034399,CC(C)OCCC(=O)C(O)C(Cc1ccccc1)NC(=O)COc2ccccc2 -MOL_01_034400,NCCOc1cnn(c(=O)c1I)-c2ccccc2I -MOL_01_034401,COC12C=CC(C=C1)(C=C2OC)CCCc3ccc(OC)c(O)c3 -MOL_01_034402,COc1ccccc1COCC(O)C(O)Oc2c(OC)cccc2OC -MOL_01_034403,CCOc1ccccc1CC/C=C2\OC(=O)N(C2=O)CCN -MOL_01_034404,COc1c(OC)c(OC)cc(c12)cc(cc2C(=O)O)-c3cccc(O)c3 -MOL_01_034405,COCCC(N1O)=NN(O)c(c12)ccc(c2)C -MOL_01_034406,Cc1nc(C)c(s1)-c2csc(c2)CCCCCCCS(=O)(=O)C(C)C 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-MOL_01_034512,COc1c(OC)cc(cc1OC)C(=O)c2ccc(OC)c(c2)OCc3ccc(o3)S(=O)O -MOL_01_034513,Oc1ccc(cc1F)NC(=O)NCCOc2ccc(cc2)CC3OC(=O)NC3=O -MOL_01_034514,CNC(C)COc1ccc(S)nc1 -MOL_01_034515,CC(C)(C)OC(=O)N1CCC(CC1)CCCOc(c2)ccc(c23)[PH](=O)(=O)NN3 -MOL_01_034516,c1ccccc1-c2cc(ccc2S(=O)(=O)N)CCNC(=O)COC(=O)CCc3ccccc3 -MOL_01_034517,CC(C)Nc1nc(nc(F)c1F)N2CCN(C)CC2 -MOL_01_034518,CCC(=C)c1cc(NC(=O)C2CC2)cc(c1)C(=O)CC -MOL_01_034519,Cc1cccn1CCC/N=C(\CC(=O)N)Nc(c2)ccc(c23)OCCO3 -MOL_01_034520,Cc(c1)c(C)cc(c12)CC(C)(C)NC\2=N\C(=O)N -MOL_01_034521,Cc1cc(on1)CCCCCOc2c(N)cc(cc2N)-c3cccnc3 -MOL_01_034522,COc1cc(S(=O)O)c(cc1OC)CNc2ccccc2 -MOL_01_034523,CNC(C)C(=O)NCCOc1ccccc1NCc2ccccc2 -MOL_01_034524,C1CCCN(C12)CCCC2CC(=O)Nc3c(O)cccc3F -MOL_01_034525,Cc1cc(S(=O)O)c(cc1C)NC(=O)COC(=O)CC2CCCC2 -MOL_01_034526,C#CN/C(C(=O)O)=C1\CCCN1Cc2ccc(N)nc2 -MOL_01_034527,Fc1ccc(cc1)C(CCCNC)NCCNC(=O)CC(C)c2ccccc2 -MOL_01_034528,Nc1ccc(c(N)c1)NC(=O)c2ccnc(c2)NC3CCCCC3 -MOL_01_034529,C=Cc(c(N)c1)cc(c12)c(N)n(c2)-c3ccccc3 -MOL_01_034530,C=C(N=1)N=c(c12)ccc(c2)Nc3nccc(n3)-c4ccccn4 -MOL_01_034531,CCN1CCN(CC1)C(=O)OCC(O)Cn2c(C(=O)Cl)cnc2C -MOL_01_034532,Nc1ccccc1CCCNc2ccc(cc2)C(=O)COO -MOL_01_034533,COC(=O)NC(C)Cc1ccc(cc1)C#Cc2ccc(nc2)NCCN -MOL_01_034534,COCCNS(=O)(=O)c1cc(OC)c(Cl)cc1I -MOL_01_034535,COc1ccccc1NCCNCCCNC(=O)COc2cccc(C)c2 -MOL_01_034536,c1ccoc1C([N+]([O-])(OC)OC)OC(=O)COc2cccc(C(F)(F)F)c2 -MOL_01_034537,c1cccc(c12)sc(=S/N)\n2-c3ccccc3 -MOL_01_034538,C1CC1NC(=O)C(C)c2ncc(C(F)(F)F)cc2F -MOL_01_034539,c1ccccc1-c2cc(ccc2)/C(C)=N/OCCOc3ccc(cc3)CC4OC(=O)NC4=O -MOL_01_034540,CCCCCC12CCC(CC1)(CC2)C(=C)NC3CCCCNC3=O -MOL_01_034541,CC(C)CCNC(=O)c1ccc(o1)COCc2cccc(F)c2 -MOL_01_034542,c12ccc(cc1)cc2CN(CCC)C(=C)NC(=O)c3ccccc3C(=O)O -MOL_01_034543,CC(C)C(=O)Cc(cc1C)c2cc(cc(c2c13)C=C3)C(=O)CCO -MOL_01_034544,COc1ccc(cc1)/C=C2/OC(=NC2=O)N/N=C(/C34C)CC(CC3)C4(C)C -MOL_01_034545,c1ccccc1C(=O)NC(=C(Cl)Cl)[N+]([O-])(c2ccccc2)c3ccccc3 -MOL_01_034546,CCc1cnn(c1/C=C/N(C)C)-c2ccc(N)c(N)c2 -MOL_01_034547,Nc1ccccc1NC(=O)Nc2ccccc2/C=C/c3ccccc3 -MOL_01_034548,COC(=O)c1c(O)c([P])c(F)c([P])c1F -MOL_01_034549,COCC(C(C)C)CC(=O)C(OC1)Cc(c12)ccc(c2)O -MOL_01_034550,CC1(C)OC(=O)NC1C(=O)NCCOC(=O)O -MOL_01_034551,Cc1cc(C)nc(n1)N/N=C/c(c(c2)C(=O)O)cc(c23)OCO3 -MOL_01_034552,OC(F)(Cl)c1cccc(C(F)(F)F)c1CC2=NCCN2 -MOL_01_034553,COc1cccc(c1)-c2cccc(c2)C3(C)C=C(N)COC3 -MOL_01_034554,c1cccc(n12)ncc2C(=C)c3ccc(N)cc3 -MOL_01_034555,CC(C)Sc1ccc(Cl)c(n1)C(=S)N2CCN(CC2)CCS -MOL_01_034556,c1ccccc1C(CC(=C)C)CC(=O)Oc2ccc(S(=O)O)cc2 -MOL_01_034557,CCOC(=O)/C=C(\C(=O)OCC)C(C)c1ccc(cc1)-c2ccccc2 -MOL_01_034558,Nc1nnc(n12)c3c(cc2)cccc3 -MOL_01_034559,CC1=NCCN1S(=O)(=O)c2cccc(c2)S(=O)O -MOL_01_034560,COCc1ccccc1C(=O)N2CCN(CC2)C(=SC3)SC3(C)C -MOL_01_034561,COc1c(OC)cc(c(Cl)c1OC)C2(C)SCCCS2 -MOL_01_034562,Cc1ncc(C(=O)O)n1CCOC(c2ccccc2)c3cccc(N)c3 -MOL_01_034563,COC(=O)/C=C1/OC(=NC1=O)NNC(=O)c2ccc(OC)cc2 -MOL_01_034564,CCOC(=O)C(N1O)=C(C)N(O)c(c12)cccc2 -MOL_01_034565,Cc1cc(Cl)cc(c1)CNC(=O)Nc(c2)ccc(c23)COS3O -MOL_01_034566,O=C1N=NC(=C12)CN(CC2)c3cc(Cl)cc(Cl)c3 -MOL_01_034567,CN(C)CCCNS(=O)(=O)N1CCCC1CCNC(=O)c2ccccc2 -MOL_01_034568,COc1ccc(cc1OC)CNC(=O)CCNCCC(C)Oc(c2)ccc(c23)OCO3 -MOL_01_034569,Cn1cpnc1SC(C(=O)P2)CCc(c23)cccc3 -MOL_01_034570,COc1cccc(c1OC)-c2ccc(s2)P(=O)O -MOL_01_034571,c1ccccc1C(C)Sc2cc(=O)n(C)c(=O)n2C -MOL_01_034572,COc1cc(S)cc(C#N)c1OCC(=O)O -MOL_01_034573,C/C(N)=N/C(=C)n(c1)ccc(c12)c3c(c2)cccc3 -MOL_01_034574,CCOC(=O)C(C1)=CC(\N(C=12)C=CC=C2)=C\c3ccc(O)cc3 -MOL_01_034575,CC(C)C(O1)=NN(C1=2)C(=N)CC(N2)=O -MOL_01_034576,CCCCCCCC(=O)NS(=O)(=O)c1cncc(c1)C(=O)O -MOL_01_034577,COc1ccc(cc1O)CC(O)c(c2)cc(OC)c(c23)occcco3 -MOL_01_034578,Cc1ccccc1NC(=C)CN(CCC)C(=C)CCc2c(N)cccc2N -MOL_01_034579,NCCCC(C(=C)C)Cc1cn(cn1)C2CCC(CC2)Cc3ccncc3 -MOL_01_034580,C=C1CC(C(=O)N1)Cc2ccc(cc2)C(C)CCc3ccccn3 -MOL_01_034581,COCC(=O)Nc1cccc(c1)CCC(O)CC(=O)NCc2ccccc2 -MOL_01_034582,Cc1cc(nc(n1)N)Nc2cc(I)c(F)c(I)c2F -MOL_01_034583,CC(C)(C)c1ccc(cc1)C(=O)NC(=O)Nc2ccccc2CN -MOL_01_034584,COc1ccc(cc1)N/C(Cl)=C/NC(=O)Cn2nc(C(=O)O)cc2C -MOL_01_034585,COc1ccc(cc1OC)/C=C2/OC(NC2=O)N3CCCCCC3 -MOL_01_034586,COc1cc(cc(c1)OO)/C=C/Cc2c(O)ccc(c23)COC3 -MOL_01_034587,c1cnccc1-c2nnc(n2N)NC/C=C/c3ccccc3 -MOL_01_034588,c1ccccc1OCCN(C)CCCNCC(N)(c2ccccc2)c3ccccc3 -MOL_01_034589,Fc1ccc(cc1)NC(=O)COC(=O)c2nc(F)ccc2F -MOL_01_034590,CC1=C(C)N(O)C(=C(C)N1O)c2ccc(F)cc2 -MOL_01_034591,CCCNC(=C)/C(CC)=C/c1ccc(C(=O)O)cc1 -MOL_01_034592,Nc1cc(ccc1)CNc2n(C)c(nn2)-c3ccncc3 -MOL_01_034593,Cc1ccsc1CN(C)CC(=O)Nc2ccc(C(=O)O)cc2Cl -MOL_01_034594,CCN1C(=O)C(C)OC\1=N/S(=O)(=O)c2ccc(Cl)cc2 -MOL_01_034595,COc(c1S)c(CC)cc(c12)cccc(c2=O)OC -MOL_01_034596,FC(F)(F)c1ccc(cc1)NC(=O)NC/C=C/c2ncc(CO)cc2Cl -MOL_01_034597,O=S(=O)(O)c1c(N)c(C)cc(c1)Nc2ccc(cc2)-c3ccc(cc3)Nc4ncccn4 -MOL_01_034598,Oc1cc(ccc1)NC(=N)CCC(=O)C(C=O)c2ccccc2 -MOL_01_034599,O=S(O)c1cncc(c1)S(=O)(=O)NCc2ccccc2 -MOL_01_034600,ONc1ccc(cc1)S(=O)(=O)Oc2c(cccc3)c3cc(c24)occ4 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-MOL_01_034618,c1cccn1C(C)CC(=O)Nc2ccc(c(N)c2)C(=O)N(C)C -MOL_01_034619,O=C1N=C(O)CC\1=C\c2cccc(c2Cl)OCCc3ccccc3 -MOL_01_034620,c1ccccc1C(C)NCCNC(CCO)C(=O)NCc2ccc(F)cc2 -MOL_01_034621,c1ccsc1C([N+]([O-])(OC)OC)OC(=O)COc2ccc(F)cc2F -MOL_01_034622,CCOc1ccc(cc1)NC(=O)NNC(=O)C(N=2)=CC(C23)=NC=C3 -MOL_01_034623,N1C(=O)C(=N)N=c(c=12)nccc2CC -MOL_01_034624,O=C(O)C(C)NC(=O)C(N)CCC(c1ccccc1)(c2ccccc2)c3ccccc3 -MOL_01_034625,O=C1NC(=O)/C(S1)=C\c2ccc(c(F)c2)Oc3cccc(c3)C(=O)O -MOL_01_034626,CCCC(=O)N(CCC(C)C)CCCN(C)Cc1cc(Cl)cnc1N -MOL_01_034627,Nc1cc(O)cc(O)c1NC(=O)NC(=O)c2cccc(F)c2 -MOL_01_034628,C1CCCCC1(C)C(=O)/C=C(N2)/OCCC23CCCCO3 -MOL_01_034629,Oc1ccc(cc1)N2C(N)=CC(N)=NC2CCC -MOL_01_034630,CC(=O)NC(C)CC(=O)NCCN1C(=O)O/C(C1=O)=C\c2ccccc2 -MOL_01_034631,C1C(C2)CC(C3)CC1CC23C(C)NC(=O)Cc4cccc(N)c4 -MOL_01_034632,O=C1N=NC(=O)c(c12)cc(cc2)N3CCCC3 -MOL_01_034633,Cc1nc(oc1C)CN2CCC(C2)N(C)Cc3nc(op3)C(C)C -MOL_01_034634,C1CCOC1CNC(=O)CCc2cc(Cl)c(c(Cl)c2)Oc3ccc(O)cc3 -MOL_01_034635,COc1ccc(c(c1)OC)C(=O)Sc2ncc(O)cc2O -MOL_01_034636,COc1cccc(c1)-c2ccc(c(N)c2)/C=C/C(=O)NO -MOL_01_034637,Nc1cccc(c1)C(=O)N/C=C/c(c2)ccc(c23)ncn3O -MOL_01_034638,CCCCCCn1ccc(N)c(c12)ncc2 -MOL_01_034639,Cc1ccc(c(C)c1)CC(C)C(=O)NC(C)c2ccc(N)cc2 -MOL_01_034640,CCCc(c1)ccc(c12)ccc(OC)c2OCC(=O)NCc3ccccc3 -MOL_01_034641,Cc1ncc(C(=O)O)n1CCOC(=O)CNC(=O)OCc2ccccc2 -MOL_01_034642,COC(=O)C(N1O)=C(C)N(O)c(c12)cccc2 -MOL_01_034643,CNNC(=C)NCc1cc(CC)nc(c1)C2CCCCN2 -MOL_01_034644,Cn1c(C)nc(c12)cc(cc2)SCc3ccc(Cl)cc3 -MOL_01_034645,O=C(O)c1c(I)n(nc1C)Cc2ccccc2 -MOL_01_034646,CC(C)NC(=O)NCC(N)Cc1cc(Cl)c(c(Cl)c1)Oc2ccc(O)cc2 -MOL_01_034647,COc1ccc(cc1)-c(c2)cc(c(c2=3)=CC(=O)C3)OCCOc4ccccc4O -MOL_01_034648,CC(C)CCC(=O)N1CCCN(CC1)C(=O)c2ccnc(N(F)F)c2 -MOL_01_034649,COc1ccc(cc1F)NC(=O)CN2CC(C)OC(C)C2 -MOL_01_034650,CNC(=O)c1ccccc1CCNCCCCNC(=O)CC2CCCC2 -MOL_01_034651,CCOC(=O)C1CCN(CC1)C2=CC(=O)/C(O2)=C\c3ccc(O)cc3 -MOL_01_034652,c1ccccc1C(C)NC(=O)Nc2cc(C(N)(N)O)ccc2O -MOL_01_034653,CCCC(=C)/C=C1\C=C(C=C)C=C1c2cccc(c2)C(C)(O)O -MOL_01_034654,C#C/S=C1/C(=O)N(C)CCN1Cc2ccc(Cl)nc2 -MOL_01_034655,COc1ccc(cc1)/C=C/c2ccc(cc2)C(F)CCC(=O)O -MOL_01_034656,c1ccccc1Nc2cc(NC)nc(n2)N/N=C/c3ccc(C(=O)O)cc3 -MOL_01_034657,CCc1ccc(cc1)OC(CC(=O)O)C(=O)CCO -MOL_01_034658,Cc1ccc(cc1)NC(=O)CCc2ccccn2 -MOL_01_034659,COC(=O)c1cc(Cl)c(c(Cl)c1O)-n2cccc2 -MOL_01_034660,CC1(C)C=CC(=C1)CN(C(CS2(=O)=O)CC2)C(=O)COc3ccc(F)cc3 -MOL_01_034661,Oc1ccc(cc1)/C=C/c2nc(C)c(c(n2)C)-c3ccc(O)cc3 -MOL_01_034662,COC(=O)c1ccccc1/C=C(\O)N(C)Cc(c2)ccc(c23)OCO3 -MOL_01_034663,Clc1ccc(cc1)CCNC(=O)CCCCCNC2=C=C2N3CCCCC3 -MOL_01_034664,Fc1ccc(cc1)C(C)(C)C(=O)NCC2=NC(=O)N=N2 -MOL_01_034665,CC1(C)NC(N)=CC(=C)N1OCCc2ccc(OC)c(c2)OC -MOL_01_034666,Nc1ccc(cc1C)C(C(C)CN)Cc2ccccc2C -MOL_01_034667,CCc1cc(O)c(OC)cc1/C=N/C(=O)CC(=O)/C=N/c2ccc(O)c(c2)OC -MOL_01_034668,O=C(O)CC(C)N(CCC)Cc1ccc(c(C)c1)OCCN2C(=O)CCC2=O -MOL_01_034669,COc1ccccc1NCCNCCCOC(C)CN2CCCCCC2=O -MOL_01_034670,O=C(O)c(c1)ccc(c12)N=C(ON2O)Cc3ccccc3 -MOL_01_034671,CCC(C)S[N+]([O-])(OCC)N1CCSC\1=N/C#N -MOL_01_034672,CC(=O)OC/C=C(\N1CC(=O)C1=O)C(=O)OC(c2ccccc2)c3ccccc3 -MOL_01_034673,C/C=C(\C)c1ncnn1C2CCC(CC2)C3(O)NN3 -MOL_01_034674,NC(=O)c1ccc(c(c1)C(=O)O)Oc(c2)ccc(c23)CCC3 -MOL_01_034675,C1CCC1N/C(=N\S)c2cccnc2SCC3CCCCC3 -MOL_01_034676,C=CCNc1nc(N)c(S(=O)O)c(n1)NCc2ccccc2 -MOL_01_034677,c1ccc(F)c(c12)CC(S=C2N)c3ccc(F)cc3 -MOL_01_034678,Cc1ccnc(c12)ccc(c2)S(=O)O -MOL_01_034679,O=C(O)c1cnc(cc1)N(C)CCc2ccccn2 -MOL_01_034680,Nc1ncc(C(=O)O)c(n1)OC2CCCCC2 -MOL_01_034681,O=C(O)C1CCN(CC1)CC(=O)N(Cc2ccco2)Cc3ccccc3 -MOL_01_034682,Cn1nnnc1OCC(=O)N2CCN(CC2)c3ccc(O)cc3 -MOL_01_034683,NC(N)(N)c1cccc(c1)C(O)CNc2ccnc(c2)Nc3ccccc3 -MOL_01_034684,CCCCN(C(=O)CC1)C(=O)C1(CC)c2nnnnn2 -MOL_01_034685,COC(=O)/C=C1/SC(NC1=O)NC(=O)c2cccc(Cl)c2 -MOL_01_034686,CC(=O)OCc1cc(OC(=O)C)cc(c1)C(=O)c2cccc(c2)OC(=O)C -MOL_01_034687,CCO[N+]([O-])(OCC)C1CC(ON1C)c2cccc(c23)cccc3 -MOL_01_034688,C=CCn1cc(C(=O)O)sc\1=N\C(=O)C(C)(C)C -MOL_01_034689,CC(C)C/N=C(\C)NNC(=O)c1ccccc1OC(Cl)Cl -MOL_01_034690,CCc1cccc(c1O)-c2cccc(c2)C(F)(F)S(=O)(O)O -MOL_01_034691,NCC1=C(N=C1)/C=C/CCN(CCN2CCCC2)C(=O)Nc3ccc(F)c(Cl)c3 -MOL_01_034692,COc1ccccc1CCCN(C)CCC(=O)c2ccc(s2)C(=O)O -MOL_01_034693,N=C(O)c1cncc(c1)Cc2cc(F)ccc2OCc3ccccc3 -MOL_01_034694,c1ccccc1N(C)CC(=N)Nc2ccccc2C(=O)O -MOL_01_034695,O=C(O)CCc1c(F)ccc(c12)COS2O -MOL_01_034696,CC(C)CCN(S(=O)=O)c1ccnn1-c2ccccc2 -MOL_01_034697,Cc1cc(C)c(c(C)c1)C(C(C#N)C#N)CC(=O)c2ccco2 -MOL_01_034698,COCCCC(N1O)=NN(O)c(c12)cccc2 -MOL_01_034699,CN1CCC(CC1)N(C)Cc2cc(C(=O)N)ccc2N -MOL_01_034700,c1ccccc1C(C)NCc2ccc(o2)C(=O)C(F)(F)F -MOL_01_034701,COc1ccc(cc1)CCC(=O)c2cccc(c2)C3CCCC3=O -MOL_01_034702,c1ccncc1C(CC(=C)C)Cc2ccc(cc2)NC(=C)CCCN -MOL_01_034703,C=1N=NC(C12)=NC(=O)N=C2N/N=C/c3cccc(Cl)c3 -MOL_01_034704,N#Cc1ccc(cc1)NC(N=2)=NC(=O)C(C23)=NC=N3 -MOL_01_034705,CCNC(=O)CCC(=O)Nc1cc(-c2ccccc2)c(O)c(c1)-c3ccccc3 -MOL_01_034706,CC(=O)NCCNC(=N)NC(=O)CCCCn1ccc(c1)-c2ccccc2 -MOL_01_034707,CC(C)=CCC/C(C)=C/CNC(=O)c1cc(C)nn1C(C)(C)C -MOL_01_034708,O=C(O)c1cc(O)ccc1N(C)/C=C/c2cccc(c23)cccc3 -MOL_01_034709,O1C(C)Nc(c12)cccc2CN -MOL_01_034710,NN1CCN(NN1)C(=O)Cc2ccc(nc2)Oc3ccc(C(F)(F)F)cn3 -MOL_01_034711,NCCCCC(N)C(=O)N1CCCCC1[N+]([O-])(Oc2ccccc2)Oc3ccccc3 -MOL_01_034712,c1ccncc1CN(C)/C(=C\O)c2ccnc(c2)Oc3cccc(F)c3 -MOL_01_034713,CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)SC2CCCCC2 -MOL_01_034714,c1cccc(c12)c(=O)n(pc2)CCCP3CCP(CC3)c4ccc(F)cc4 -MOL_01_034715,C=CCn1nnnc1NCC(=O)Nc2cccc(c2)OC -MOL_01_034716,COc1ccc(cc1C(=O)O)C(=O)Nc2cnccn2 -MOL_01_034717,CCC(C)CCc1cc(CC)nc(n1)-c2ccc(C)c(N)c2 -MOL_01_034718,COC(=O)c1oc(S(=O)O)c(Cl)c1Cl -MOL_01_034719,Oc1ccccc1C(=O)NCC2=CC=C(OO2)CO -MOL_01_034720,COc1ccc(cc1)NC2=Sc3cccc(c3c24)ccc4 -MOL_01_034721,C1=CC(F)=CC(C1=2)C(=CN2)CCCNCCOc3ccccc3OC -MOL_01_034722,CN(C)c1ccc(cc1)C(=O)OCC2(CO)CC(=O)/C(C2)=C\c3ccccc3 -MOL_01_034723,CCCCCCCn1nnc(c12)c(S(=O)O)ccc2 -MOL_01_034724,COC(=O)C(N)Cc1cc(Cl)c(c(Cl)c1)OCCc2ccc(O)cc2 -MOL_01_034725,CC(=O)OC/C=C/COCCCNC(=O)Nc1cc(F)cc(C(F)(F)F)c1 -MOL_01_034726,Cc1cc(I)nc(c12)nc(I)c(c2)N -MOL_01_034727,C=C1NC(=C)N(C(C)CC)C(=C)C\1=C\NNC(=C)c2ccncc2 -MOL_01_034728,CC(=O)Nc1cccc(c1)OC(=O)Nc2cc(O)ccc2C -MOL_01_034729,CCCCN1C=CC(=O)C1NC(=O)c2cccc(C)c2 -MOL_01_034730,C=CCn1c(O)cnc1CCCOc2ccc(O)cc2O -MOL_01_034731,CCNC(=O)CC1C/C(N(C)C1=O)=N/c2ccccc2C -MOL_01_034732,C1CC1C(=C)NC(C)Cc2ccc(cc2)/N=C/c3ccc(cn3)NC4NCN4 -MOL_01_034733,N#Cc1cc(ccc1F)NC(=O)Nc2ccc(CC(F)(F)F)cc2 -MOL_01_034734,COC(=O)CC(C(=O)O)C(=O)N(CCC)/C=C(\C)CC(C)c1ccccc1 -MOL_01_034735,COc1cccc(c1O)C(=N)NC2CCC(C)CC2 -MOL_01_034736,C=C(O)Nc1nc(ccc1O)NC(=C)/C=C/c2ccc(C)c(C)c2 -MOL_01_034737,CC(C)N1CCCC(C1)Nc2ccc(CO)c(c2)S(=O)O -MOL_01_034738,c1ccccc1C(=O)N(CC23C(=O)O)CN(C2)CN(C3)C(=O)c4ccccc4 -MOL_01_034739,CNc1ncnc(c1C=O)Nc2ccccc2 -MOL_01_034740,C1CC1NC(=C)CCn2ncc(c23)c(N)ccc3 -MOL_01_034741,Cc1cc(no1)NC(=O)CCCn2nc(C(=O)O)cc2C -MOL_01_034742,Sc1ccccc1CNC(=C)CCC2CCCN(C2)c3ncccn3 -MOL_01_034743,Cc1ccc(cc1)C2(C)CCN(CC2)Cc3c(N)cc(C)c(C)c3N -MOL_01_034744,CCOC(=O)c1c(coc1N)-c2ccc(N)cc2 -MOL_01_034745,CC1=C(O)C(=O)CC1CC(=O)c2ccc(N)cc2 -MOL_01_034746,O=CNNc1ccc(F)cc1/C=C(\C)N2CCN(CC2)Cc3ccccc3F -MOL_01_034747,Nc1c(N)c(N)c(C)cc1C(=C)NC23CC4CC(C2)CC(C4)C3 -MOL_01_034748,Cc1ncccc1C(C#N)NCCOC(=O)CCNC(C)c2ccccc2 -MOL_01_034749,c1ccc(n12)ccnc2NC(=C)NC(C)c3cccc(c34)cccc4 -MOL_01_034750,NC(=O)CN1C(=O)C/C(C1=O)=C\c2ccc(cc2)Oc3ccccc3 -MOL_01_034751,CC1CSCCC/C(=C(\N)CCC(=O)N1)Cc2ccc(cc2)C(=O)c3ccccc3 -MOL_01_034752,COc1ccc(cc1C(=O)O)/C=C/NC(=O)c2ccncc2 -MOL_01_034753,CC1C(=O)CC(C1=O)/N=C/c2ccc(o2)-c3cccc(O)c3 -MOL_01_034754,CCOc1cccc(c1O)/C=S/N2CCN(CC2)c3ccc(Cl)cc3 -MOL_01_034755,CC1(C)PC([P])=NC(=P)P1OCCCOc2ccc(P(=O)O)cc2 -MOL_01_034756,Cc1ncc(C(=O)O)n1CCNC(C)C -MOL_01_034757,c1cccc(c12)N(O)C(=C(C)N2O)/C=C/Nc3ccc(C(=O)O)cc3 -MOL_01_034758,Oc1cc(ccc1)Cc2c(C(=C)CCO)ccc(c23)c(OC)ccc3 -MOL_01_034759,Nc1cccc(N)c1C(=O)NCC(O)c(c2)ccc(c23)cccc3 -MOL_01_034760,CCO/C(O)=C/C(=C\CC)COCc1cc(O)cc(c1)NCc2ccccc2 -MOL_01_034761,Cc1ccccc1/C=c2\[nH]c(=O)/c(o2)=C\c3ccccn3 -MOL_01_034762,C=CCn1c(NC(C)CC)nc(O)cc1=O -MOL_01_034763,CCOS(=O)(NC(C)C)Oc1cc(C)ccc1C(=O)O -MOL_01_034764,CN(C)/C(F)=N/c1cccc(c1)-c2nnc(F)o2 -MOL_01_034765,C=C(N=1)N=c(c12)ccc(c2)OCCCN3CCN(CC3)c4ccccc4 -MOL_01_034766,CCCCCC(=O)CCC(=O)NCc1cc(OC)c(C)cc1C -MOL_01_034767,c1cccc(c12)cccc2CN3/C(CCC3=O)=N/N=C4CCCCC4 -MOL_01_034768,Cc1ccc(cc1C)-c2npc(o2)SCC(=O)N3CCCC3 -MOL_01_034769,FC(F)(F)c1ccc(cc1)C(=O)N(C)CCCOC(=O)Nc2cc(C(F)(F)F)on2 -MOL_01_034770,CC(C)CC(C(=O)NO)NCCNc1cccc(c1)OCc2ccccc2 -MOL_01_034771,ONC(=O)/C=N/c1ccc(o1)CN(Cc2ccccc2)CCCOc3ccccc3 -MOL_01_034772,CCc1ccc(c(c1)S(=O)O)OCC(=O)N/N=C/c2ccco2 -MOL_01_034773,Oc1ccccc1C(=O)NCC(=O)N/S=C/C=C/c2ccccc2 -MOL_01_034774,CCC(=O)c1cccc(c1)Oc2c(F)cc(cc2F)CC(N)C(=O)O -MOL_01_034775,COc1cc(Cl)cc(c1O)/C=N/c(c2)ccc(c2=3)=NC(N3)=O -MOL_01_034776,COC(=C)C1CCC(CC1)c2ccc(O)c(c2)-c3ccccc3O -MOL_01_034777,c1ccccc1C(CC)C(=O)N/C=C/c2cccnc2 -MOL_01_034778,C#Cc1ccc(cc1)Nc2nc(nc(n2)NN)Cc3c(O)cccc3F -MOL_01_034779,Nc1nc(co1)-c2cccc(c2)-c3ccc(C(=O)O)cc3 -MOL_01_034780,C1COCCN1CCC(=O)NNC(=O)c2ccc(Cl)c(c2)C(=O)O -MOL_01_034781,Clc1cc(Cl)ccc1C(SCCC=O)CCC(=O)NCCCN2CCCC2 -MOL_01_034782,c1cccc(c12)[nH]c(=C)c2=c3c(=C)[nH]c(c34)ccc(c4)N -MOL_01_034783,CC(=O)Nc1cc(NC(=O)C)c(cc1C)/S=S/c2ccccc2 -MOL_01_034784,Cc1ccccc1C(=O)CCCNc2ccc(cc2)NC(=O)c3ccco3 -MOL_01_034785,c1ccccc1C(=O)NCc2c(C)nc(C)c(c2C)CNC(=O)c3ccccc3 -MOL_01_034786,NC1CCc(c12)c(N)ccc2C -MOL_01_034787,Cc1csc(n1)NC(=S)C(C(C)C)NC(=S)c2ccccc2 -MOL_01_034788,Cc1cc(C)c(c(C)c1)-n2nnnc2NC(C)C -MOL_01_034789,C/C=C/C=C/C(=O)OCC(=O)CCc1ccc(O)c(c1)CC -MOL_01_034790,c1ccccc1CCCC(=O)N/C=C/c2ccc(O)c(F)c2O -MOL_01_034791,CC1(C)C(=O)NC(OC(C)C)=N/C1=C/c2ccccc2 -MOL_01_034792,Cc1ccc(cc1)C(=O)CC(=C(S)S)S(=O)(=O)c2ccc(C)cc2 -MOL_01_034793,O1CCCOc(c12)ccc(c2)C(=O)N/C=C/c3ccc(O)cc3Cl -MOL_01_034794,C=C(N)CCC(C(=C)N1)NCc(c12)cccc2 -MOL_01_034795,C1COCCN1C(C)C2CCN(CC2)Cc3c(O)cncc3F -MOL_01_034796,O=C1C=C(N=N1)c2cccc(c2)-c3cccc(O)c3 -MOL_01_034797,Cc1ccc(nc1)NC(=O)NCCc2ccccc2 -MOL_01_034798,OOn1ccc(c1)C(=C)C(CC2)CCC23CCCN(C3)C(=C)CC(C)O -MOL_01_034799,CCCCNCc(c1)ccc(c12)ncn2O -MOL_01_034800,c1cccc(c12)nc(C)c(n2)N/C=C/c3cccc(O)c3 -MOL_01_034801,CCOC(=O)COc1cccc(c12)N(O)c3c(N2O)cccc3OCC(=O)OCC -MOL_01_034802,Cc1nn(C)c(C)c1C(=S)N2CCN(CC2)C(=S)CC3CCCCC3 -MOL_01_034803,COc1cc(ccc1O)C([N+]([O-])(OC)OC)Nc2ccccc2 -MOL_01_034804,Cn1ncc(c12)cc(cc2)/C=C/c3c(N)cccc3N -MOL_01_034805,Sc(s1)nc(c12)ccc(c2)S3CCOCC3 -MOL_01_034806,c1cccc(c12)cccc2NC(=O)/C(N)=C/c3cccc(c3)C(=O)O -MOL_01_034807,Cn1cncc1/C=C/c(c2)ccc(c23)cc(oc3=O)CCCO -MOL_01_034808,COc1ccc(cc1OC)CCS(C)C(C(=O)O)c2ccc(F)c(C)c2 -MOL_01_034809,c1ncnn1CC(O)CN(CC=C)Cc2ccc(cc2)C(=O)OCC(C)C -MOL_01_034810,Fc1cc(ccc1)CC(=O)Nc2cccc(c2)S(=O)O -MOL_01_034811,COc1ccc(F)cc1PC(=O)CPc2ccn(n2)CC(=O)[P] -MOL_01_034812,Nc1c(N)nc(nc1C)-c2ccccn2 -MOL_01_034813,Fc1ccc(cc1)N(/C(=N/N)CC2)C23CCCCC3 -MOL_01_034814,O=C1N=NC(=N1)CC(=O)N(C)CCn2ccc(c23)cccc3 -MOL_01_034815,CCOC(=O)C(C(=O)OCC)N/C(C)=C(/C(=O)OC)Cc1ccccc1 -MOL_01_034816,CC(C)c1ccc(cc1)Nc2nnc(o2)OC3CCOC3=O -MOL_01_034817,c1coc(c12)CCN(C2)CC(=O)N/N=C/c3ccc(Cl)cc3 -MOL_01_034818,CCC1C=C(N)C=C(N)N1c2ccc(F)cc2 -MOL_01_034819,Clc1ccc(cc1)N(/N=C/C(=O)OC)CC(=O)Nc2ccccc2O -MOL_01_034820,COc1cccc(c1)/C=C/NC(=O)Nc2cccc(c2)C(=O)O -MOL_01_034821,C/C=C(\O)C(C)(N)Cc1ccc(cc1)-c2ccc(cc2)CNCc3ccccc3 -MOL_01_034822,COc1ccccc1NCC(=O)N/S=C/c2c(O)ccc(c23)cccc3 -MOL_01_034823,Cn1cnc(S(=O)O)c1Oc2cccc(c23)cccc3 -MOL_01_034824,Cc1nnc(n(N)c1=O)CCC(=O)c2ccc(Cl)cc2 -MOL_01_034825,CCOC(=O)NC(C(F)(F)N)(C(F)(F)O)NC(C)CC -MOL_01_034826,S=C1N=NC=C1c2ccns(n2)NCCN3CCCCC3 -MOL_01_034827,Cc1ccc(cc1)/C=C2\OC(=O)N(C2=O)CCC(=O)NCCCN3CCOCC3 -MOL_01_034828,c1ccccc1C2C=C(C)N(C(=O)N2)CN3CCOCC3 -MOL_01_034829,Cc1ccc(cc1)NC(=O)CC2CC(=NC2=O)NC3CCCCC3 -MOL_01_034830,c1ccccc1OS(=O)(C/C=C(\C)CN)NC(C)C(=O)OCc2ccccc2 -MOL_01_034831,COc1cccc(c1)C(O)CCCNC(=O)OCc2ccccc2 -MOL_01_034832,Cc1cccc(c1)NC(=O)/C=C/c2ccc(s2)S(=O)O -MOL_01_034833,COc1ccc(cc1)C(C2)=CNc(c23)cc(O)cc3 -MOL_01_034834,Cc1ccc(cc1)N/S=C/C(=CC2(C)C)C(C#S)=C(O)C2(C#N)C#N -MOL_01_034835,CCOc1ccc(cc1N)CNC(=O)N2CCCC(C2)CO -MOL_01_034836,C=C1C=CC(=C)C1N(c2ncncn2)c3ccccc3 -MOL_01_034837,C=Cc1ccc(cc1C)C(C)(C2(N)NN2)C3CCC3 -MOL_01_034838,O=C(O)Cc1ccccc1Oc2c(Cl)cccc2S(=O)O -MOL_01_034839,Cc1cc(C)cc(c1)C(=O)Nc2nnc(n23)NCC3 -MOL_01_034840,C=C1NC(=O)CC\1=C\c2ccc(N)cc2N -MOL_01_034841,Nc1ccccc1OCc2coc(n2)-c3cccnc3 -MOL_01_034842,c1ccccc1C(CCC)CCCCN(C)C(=O)c2cccnn2 -MOL_01_034843,CCSc1cc(ccc1F)C2=NC(CS2)C(=O)NS -MOL_01_034844,CC(=O)NCCCN/C(=N/C(C)C)c1ccc(cc1)-c(c2)ccc(c23)cccc3F -MOL_01_034845,c1cnccc1/C=S/NC(=O)CNc2cccc(c2)OCc3ccccc3 -MOL_01_034846,Oc1ncc(cc1)CN(CC)/C=C(/C(=O)O)CN(C)Cc2ccccn2 -MOL_01_034847,N=C(N)c1cc(ccc1)-c2cc(C)c(F)c(c2)Oc3cccc(c3)CN -MOL_01_034848,O1CCOC1c(c2)ccc(c23)N(O)c4c(N3O)ccc(c4)O -MOL_01_034849,Nc1nc(N)c(C=O)c(n1)Nc2ccc(F)cc2 -MOL_01_034850,CC1C(=O)C(=O)OC1c(c2)ccc(c23)cccc3 -MOL_01_034851,Fc1ccc(cc1)C(=O)N/S=C/c(c2)ccc(c23)n(cn3)O -MOL_01_034852,CNC(=O)NC(=O)NC(=O)c1cccc(F)c1 -MOL_01_034853,CS(=O)(=O)CCCCCCCC(=O)Cc1ccc(F)c(O)c1 -MOL_01_034854,CC(O)C(=C)CCC(C)(C)c1ccc(O)cc1 -MOL_01_034855,FC(F)(F)c1ccc(cc1)NC(=O)NCCCOc2ncccc2C(F)F -MOL_01_034856,C1CCCCC1/C=C(/S(=O)(OCC)OCC)CC(=O)c2ccccc2 -MOL_01_034857,C=C(C)C(C(C)O)CC(=O)c1ccc(cc1)CCCO -MOL_01_034858,N=c(n1)n(C)cc(c12)cc(N)cc2 -MOL_01_034859,N=1C=NC(C12)=NC(=NC2=O)NCc3ccncc3 -MOL_01_034860,c1ccccc1NC(=O)NCc2n(C)c(nn2)OCc3ccccc3 -MOL_01_034861,CC(C)NC(=O)N/C=C(\C)c1ccc(cc1)-n2ccnc2 -MOL_01_034862,CC1CCCN(C1)C(N=2)=NC(=O)C(C23)=CC=C3 -MOL_01_034863,OC(F)(F)c1ccc(cc1)C(=O)N/C=C/Nc2ccc(C(=O)O)c(O)c2 -MOL_01_034864,C1=CC=CC=CC1(C)C(=O)C/C(=C\NC(=O)OC)CCC(=O)Nc2ccc(C)c(C)c2 -MOL_01_034865,COc1ccccc1/C=C/NC(=O)CNC(=O)c2ccccc2 -MOL_01_034866,O=CCCCCC(=O)CCCCc1cccc(c1)NC2=NCC(O)CC2 -MOL_01_034867,C=C(O)c1ccc(c(N)c1)C2CCC(CC)CC2 -MOL_01_034868,C=C(O)CC(O)/C=C/c1cc(C(=O)C)ccc1O -MOL_01_034869,C#Cc1cccc(N)c1NCCCC2=NC(=O)N=N2 -MOL_01_034870,COc1cc(ccc1O)-c2coc(n2)C -MOL_01_034871,CCOC(=O)C1C(=O)NC(=CC1C(C)C)N2CCOCC2 -MOL_01_034872,COc1ccc(cc1)-n2nnnc2OCC(=O)Nc3nnn(n3)C -MOL_01_034873,OC(C=1)=CC(C12)=CC(=C2C)C(=O)NCCc3ccccc3 -MOL_01_034874,O=C1N=CC(=N1)C(=O)N(CCC2)CC23CCC(=O)N(C3)C4CCCC4 -MOL_01_034875,C1CCC1(N)c2ccc(cc2)-c(nc(n34)c5c(NC4)cccn5)c3-c6ccccc6 -MOL_01_034876,CCC1(N)CC(N)(C1)c2ccc(cc2)-c(nc(n34)c5c(NC4)nccn5)c3-c6ccccc6 -MOL_01_034877,C1CNCCC1C(c2ccc(C)cc2)NC(=N)c(c3)ccc(c34)cncc4 -MOL_01_034878,CC1(N)CC(N)(C1)c2ccc(cc2)-c(nc(n34)c5c(NC4)nccn5)c3-c6ccccc6 -MOL_01_034879,CC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)nccc6 -MOL_01_034880,c1cccc(c12)N(CC2C)C(N)Cc3nc(cc(=N)n3C)N4CCNCC4 -MOL_01_034881,C1CCC1(N)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)ccnc6 -MOL_01_034882,CCC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)ccnc6 -MOL_01_034883,C1CCC1(N)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)nccc6 -MOL_01_034884,Cc(c1)c(C)cc(c12)CC(C)N2C(N)Cc3nc(cc(=N)n3C)N4CCNCC4 -MOL_01_034885,Cc1ccc(cc1)CC(N)C(=N)N2CCN(CC2)c3ncnc(c34)CCC4 -MOL_01_034886,CNc(c1)ccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(N)(C6)C7CC7 -MOL_01_034887,CN(C)C(N)c(c1)ccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034888,C1CC1C2(N)CC(C2)(N)c3ccc(cc3)-c(c4-c5ccccc5)nc(n46)c7c(NC6)cccc7 -MOL_01_034889,CNC(=N)c(c1)ccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034890,CCNC(=N)c(c1)ccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034891,CCNC(N)c(c1)ccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034892,CNC(N)c(c1)ccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034893,Cc(c1)ccc(c12)c3n(CN2)c(-c4ccccc4)c(n3)-c5ccc(cc5)C6(N)CC(N)(C6)C7CC7 -MOL_01_034894,Cc1cccc(c12)N(C(C2)C)C(N)Cc3nc(cc(=N)n3C)N4CCNCC4 -MOL_01_034895,c1ccccc1-c2cc(ccc2C)C(C3CCNCC3)NC(=N)c(c4)ccc(c45)cncc5 -MOL_01_034896,CNc1cccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(N)(C6)C7CC7 -MOL_01_034897,c1cccc(c12)N(CC2C)C(=N)Cc3nc(cc(=N)n3C)N4CCNCC4 -MOL_01_034898,Cc1cccc(c1)C(C2CCNCC2)NC(=N)c(c3)ccc(c34)cncc4 -MOL_01_034899,Cc1cccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(N)(C6)C7CC7 -MOL_01_034900,C1CNCCN1c2cc(C)nc(n2)CC(N)N(C(C)C3)c(c34)cccc4 -MOL_01_034901,Cc1cccc(c12)N(CC2(C)C)C(=N)Cc3nc(cc(=N)n3C)N4CCNCC4 -MOL_01_034902,Cc1cccc(c12)c3n(CN2)c(-c4ccccc4)c(n3)-c5ccc(cc5)C6(N)CC(N)(C6)C7CC7 -MOL_01_034903,Cc1cccc(c12)N(CC2)C(=N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_034904,Cc1cccc(c12)NCn3c2nc(c3-c4ccncc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034905,CC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)cncc6 -MOL_01_034906,CNc(c1)ccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034907,CC(C)Nc1cccc(c12)N(C(C2)C)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_034908,CC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)cccc6 -MOL_01_034909,c1ccc(N)c(c12)CC(C)N2C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_034910,Cc1cccc(c12)N(CC2)C(=N)Cc3nc(c(C)c(=N)n3C)N4CCNCC4 -MOL_01_034911,C1CCC1(N)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)cncc6 -MOL_01_034912,N=Cc1cccc(c12)N(CC2)C(=N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_034913,CNc(c1)ccc(c12)c3n(CN2)c(-c4ccccc4)c(n3)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034914,CN(C)C(=N)c(c1)ccc(c12)c3n(CN2)c(-c4ccccc4)c(n3)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034915,c1cccc(c12)CC(C)N2C(=N)Cc3nc(N)cc(n3)N4CCNC(C4)CN -MOL_01_034916,CNC(=N)c(c1)ccc(c12)c3n(CN2)c(-c4ccccc4)c(n3)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034917,Cc1cc(N)cc(c12)C(=N)CC(N2)(C)CCCC(C)C -MOL_01_034918,Cc1cccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034919,Cc1c(C)ccc(c12)N(C(C2)C)C(=C)Cc3nc(C)c(C)c(n3)N4CCNCC4 -MOL_01_034920,CNC(N)c(c1)ccc(c12)c3n(CN2)c(-c4ccccc4)c(n3)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_034921,Cc1cccc(c12)N(CC2)C(=N)Cc3nc(N)c(C)c(n3)N4CCNCC4 -MOL_01_034922,C1CNCCC1C(c2cc(C)c(C)cc2)NC(=N)c(c3)ccc(c34)cncc4 -MOL_01_034923,C1CNCCN1c2cc(N)nc(n2)CC(N)N3CCc(c34)cccc4 -MOL_01_034924,CNc(c1)c(NC)cc(c12)ncc3c2cc(nc3N)-c4cncc(c4)NCC(N)Cc5cccc(C)c5 -MOL_01_034925,C1CNCCN1c2c(C)c(C)nc(n2)CC(=N)N(C(C)C3)c(c34)cccc4 -MOL_01_034926,Cc1c(N)ncnc1N2CCN(CC2)C(=N)C(N)Cc3ccccc3 -MOL_01_034927,Cc1cccc(c12)N(CC2)C(=N)Cc3nc(N)cc(n3)N4CCNC(C45)CCC5 -MOL_01_034928,Cc(c1)ccc(c12)CCN2C(=N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_034929,C1CNCCN1c2cc(=N)n(C=N)c(n2)CC(=N)N3CCc(c34)cccc4 -MOL_01_034930,Cc1c(C)c(N)cc(c12)C(=N)CC(N2)(C)CCCC(C)C -MOL_01_034931,C1CCNCC1C(c2cc(C)c(C)cc2)NC(=N)c(c3)ccc(c34)cncc4 -MOL_01_034932,Cc1ccc(cc1)CC(N)C(=N)N2CCN(CC2)c3ncnc(N)c3C -MOL_01_034933,Cc1ccc(cc1C)CC(CC(C)(C)N)C(=N)N2CCN(CC2)c3ncnc(c34)CNC4C -MOL_01_034934,c1nc(C)cc(c12)cc(cc2)C(=N)NC(c3ccc(C)c(C)c3)C4CCNCC4 -MOL_01_034935,Cc1cccc(c12)N(CCC2)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_034936,Cc1ccc(cc1C)CC(CNC(C)C)C(=N)N2CCN(CC2)c3ncnc(c34)CNC4C -MOL_01_034937,CC(C)CCCC(C)(N1)CC(=N)c(c12)cc(N)cc2 -MOL_01_034938,Cc1ccc(cc1)CC(CNC(C)C)C(=N)N2CCN(CC2)c3ncnc(c34)CNC4C -MOL_01_034939,CC(C)(C)c1cccc(c1N)NC(=N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034940,C1CNCCC1C(c2cc(C)c(C)cc2)NC(=N)c(c3)ccc(c34)cnnc4 -MOL_01_034941,CN(C)c1cccc(c1)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034942,C1CNCCC1C(c2cc(C)c(C)cc2)NC(=N)c(c3)ccc(c34)NC(C4)=N -MOL_01_034943,Cc1ccc(cc1)CC(N)C(=N)N2CCN(CC2)c3ncnc(c34)CNC4C -MOL_01_034944,C1CNCCN1c2cc(=N)n(CC)c(n2)CC(=N)Nc3ccc(C)cc3 -MOL_01_034945,Cc1cccc(c1)NC(=N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034946,Cc1cccc(c1)NC(=N)Cc2nc(cc(=N)n2C)N3CCNCC3 -MOL_01_034947,CCNc1cccc(c1)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034948,CC(C)Nc1cccc(c1)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034949,Cc1ccc(cc1)NC(=N)C(C(C)C)c2nc(N)cc(n2)N3CCNCC3 -MOL_01_034950,Cc1ccc(cc1)CNC(=O)C2(N)CCN(CC2)c3ncnc(c3=4)=NC(N4)=O -MOL_01_034951,CC(C)Nc1cccc(c1)NC(=N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034952,Cc1ccc(c(C)c1C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034953,c1ccccc1C(N)CNc2cncc(c2)-c(c3)ccc(c34)cncc4 -MOL_01_034954,CNc1c(C)ccc(c1C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034955,C1COCCN1C2=CC(=C)N(C)C(=N2)CC(=O)N3CCc(c34)c(C)ccc4 -MOL_01_034956,CNCCNc1cc(C)ccc1NC(=N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034957,CNc1cc(C)ccc1NC(=N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034958,CNc1cc(ccc1C)NC(=N)Cc2nc(cc(=N)n2C)N3CCNCC3 -MOL_01_034959,Cc1ccc(c(C)c1C)NC(=N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_034960,Cc1ccc(cc1)CNC(=N)C2(N)CCN(CC2)c3ncnc(c3=4)=NC(N4)=N -MOL_01_034961,C1CNCCN1c2nc(nc(c2)N)CC(=N)Nc3ccccc3NCCN4CCCCC4 -MOL_01_034962,C1CNCCN1C2=CC(=C)N(C)C(=N2)CC(=N)N(C(C)C3)c(c34)cccc4 -MOL_01_034963,c12c3ccc(c1)c(c3)c(c2)C(N)COc4cncc(c4)/C=C/c5ccncc5 -MOL_01_034964,COc1ccc(cc1)CC2=C(C(=O)N=N2)c3cn(C(=O)C)c(c34)cccc4 -MOL_01_034965,OCCC(N)c1ccc(cc1)-c(c2-c3ccccc3)cc(n24)c5c(OC4)cccc5 -MOL_01_034966,COCCCN(C)c1ncnc(c12)n3c(c2)C(CC3)Oc4ccc(cc4)C(C)NC(=O)C -MOL_01_034967,c12ccc(C(=O)N)c(n1)C3=C(C3)N4N(CC(O)CO2)CC=C(C4)c5ccc(F)cc5 -MOL_01_034968,CCCN(CCC)CCCNC(=O)Cn1ccc(n1)-c2coc(c2)C(=O)N3CCCC3 -MOL_01_034969,CC(C)(C)c(c12)ccc(n1)C=3N(CCC2)N(N=CC3)Nc(nc4)cc(c45)OCCO5 -MOL_01_034970,CCc1c(C)ccc(c1C23C)N=C2C(=NC=N3)NCCCN4CCCC4=O -MOL_01_034971,c1cnccc1C2=NC(=C2SCC)n3nc(C(=O)O)c(c3C)-c4cc(Cl)cc(Cl)c4 -MOL_01_034972,COc1cccc(c12)C(CCC2)C(=O)N(C)CCN(C3)CCn(c34)c5c(c4)cc(N)cc5OC -MOL_01_034973,C#CC1=CC=NC(C12N)=Nc3c2cc(cc3)-c4ccc(cc4)N5CCN(C)CC5 -MOL_01_034974,c1ccoc1C(=O)c2c(C(F)(F)F)n(O)c(c23)cc(Cl)c(c3)N4CCOCC4 -MOL_01_034975,C123C4=CC(N=C1)=CC2=C5C(CCN5C(=O)C(C)C)CNC(=O)c6ccc(cc6)NC(=O)N(C4)C3 -MOL_01_034976,C1CCCCC1Cc2cc(N)cc(N)c2OCC(O)CC(O)CC(=O)O -MOL_01_034977,CCN(CC)C(=O)c(c12)cc3c(c1)OC(CC3)CN(C)CCc4c(C2)cc(cc4)NS(=O)(=O)C -MOL_01_034978,NC(=O)C1=CC=C(C=2C13C)N=C(N2)c4c(/C=C\3)cc(cc4)N5CCN(CC5)c6ccccn6 -MOL_01_034979,CCNC(=O)CCC(c(c12)cccc2)C(N1C)/C(C(=O)OC)=C/C(=O)OC -MOL_01_034980,c1ccccc1-c(n2)n(C(C34O)=CC(=C3)C(=C4)O)c(=O)c(c25)cccc5 -MOL_01_034981,C1=CC(=C2)C(=C3)C(=C3C12C)c4nccnc4C5CN(C5)c(n6)ccc(c67)cccc7 -MOL_01_034982,c12c3c(N)cc(N)c(c3)c(c2)=C4N(C(=O)C1C)CCN(C4)c5c(N(N)C(C)C)ccc(c56)C6 -MOL_01_034983,CC(C)NC(=O)NC1CC(C)N(C(=O)C)c(c12)ccc(n2)-c3ccoc3 -MOL_01_034984,CC(C)c(n1)cc(C(=O)N)c(c12)nc(O)n2-c3ccc(O)cc3 -MOL_01_034985,c1c(O)ccc(C(C)C2=O)c1C23Cn4c(CO3)ccn4 -MOL_01_034986,C1CN(C)/C(C2)=C/c(c3)n(ccn4)c4cc3C(=O)N(C125)CC6(C=C5)C7=CC(=C6)C=C7 -MOL_01_034987,COc1c(OC)cc(cc1OC)C2=NNC(C2)c3cc(OC)c(cc3)Oc(n4)c(c45)c(=O)n(c5=O)C -MOL_01_034988,COC(=C1)C(OC)=CC(C1=2)c3c(N2)cnc(c3CC)C(O)OC -MOL_01_034989,COC12C(=C1)C(=CC=C2)n3c(SCC(=O)OC(C)C)nnc3-c4cccnc4 -MOL_01_034990,CN1CCN(CC1)S(=O)(=O)c2ccc(OCC)c(c2)C(N=3)=NC(=O)C(C34)=NN=C4c5ccccc5 -MOL_01_034991,Fc1ccc(cc1)C(CN)N(C2)CCN3c(ncnc4N)c4c(c5C23)ccc(F)c5 -MOL_01_034992,C1=C2C3(C124)c5c4ccc(c35)NC(=C)Nc6ccc(O)c(c6)CCCCC(=O)OC -MOL_01_034993,COc1cccc(c1)-c2cnc(n23)C(O)c4c(C=C3C)cc(cc4)C(C)(C)C -MOL_01_034994,CCn1nccc1NC(=O)c(n2)cc(Cl)c(c23)OCc4c3c(Cl)ccc4 -MOL_01_034995,CCC1=CC=C(CC1)CCCC(O2)=CC=C3C=C(N4C5=C23)OC(C4=CC=C5)C(=O)CSCC(=O)O -MOL_01_034996,c1ccccc1C(=C2C(=O)OCC)C=C(C23O)C=CC(OC)=C3CN(CC45)C(CC4)CC5 -MOL_01_034997,COC1=C(C(F)=C1)c2nn(C(C)C)c(c23)ncnc3N -MOL_01_034998,CN(C)C12C3=C2c4cc(ccc4C)Cn5nc(cc5)NC(=O)CC(=C3)C=C1 -MOL_01_034999,Cc1ccc(cc1)C23C=C(C(=N2)C=C3)Cc4n(CC=C)c(nn4)-c5ccccc5OC -MOL_01_035000,Cc(c1)ccc(c12)n3c(c2)c(nn3CCC)NS(=O)(=O)c4cccc(c45)non5 -MOL_01_035001,Cc(c1)ccc(c12)/C=3c4c(cncn4)NCc5c6c(n(C2)c5)c(/C3)ccc6 -MOL_01_035002,CCCN(C1=O)C(=O)N=C(C1=2)N=C(N2)c3cnn(c3)Cc4noc(n4)-c5ccc(C(F)(F)F)cc5 -MOL_01_035003,COc1cc(O)cc(c12)n(CCN)c3c4c(cc2)cn5cc(cn5)c6nc4c(cc3)nc6 -MOL_01_035004,CC12C(=C1)c3c(C=C2)nc(-c4ccccc4)cc3C(=O)Nc5cccnc5 -MOL_01_035005,Cc(c1)ccc(CC2=O)c1C23c4c(CC(=O)C3)n(nc4)Cc5ccc(O)cc5 -MOL_01_035006,Oc1ccc(cc1)CC2=NC(C(=O)OC)=C(C2=3)C(=O)c4c(N3)cccc4 -MOL_01_035007,C12C3=CC(=N1)c4c5c(ccc4)nc(C)c(n5)NC/C=C/CC2CNC3=O -MOL_01_035008,Fc1ccc(cc1)C2=NC(=C2)N(C)c3c(CC)nc(n34)ccc(c4)C5CCN(CC5)CC(=O)N(C)C -MOL_01_035009,CCC1CCCCN1C2=NC=NC(C23O)=Nc4c3cc(cc4)C(=O)N -MOL_01_035010,C1CCCN1C(=O)Nc2cccc(c2)NC(=NC(C345)=NC=C3)N=C4Nc6c5cccc6 -MOL_01_035011,CC1CNCCN1c2cc(OC)c(cc2)NC(=C(C(=O)N)c(n34)ncc4)NC3N5CCCCC5 -MOL_01_035012,CN(C)CCCOc1c(OC)ccc(c12)c3c(c(n2)=O)nc4c([nH]3)c(F)cnc4 -MOL_01_035013,Fc(c1)ccc(c12)NC(=O)C\2=C\C3=NC(C)=C(C34C)NC(=O)CCN5/C(=C/4)CCCC5 -MOL_01_035014,c1ncc(n12)c(cn2C(C)C)C(=O)c3cncc(c3)NC(=O)c(c4)cnc(c45)cccc5 -MOL_01_035015,OCC(=CC=1)C(=C)C=C(C12)C(CC)CCc3c2c(OC)c(CO)c(c3)CO -MOL_01_035016,O=C1Cc(cc2C)cc(C)c2/C(=C(/C3)N1C34C)c5c(Cl)ccc(c5)CNC4=O -MOL_01_035017,O=c1n(C)n(C)c(c12)ccn2CC(=O)NC(C=3)=CC(C34)=Cc5c4cccc5 -MOL_01_035018,CCN(S1(=O)=O)C(C)=Cc(c12)c(c(cc2)OC)NC(=O)c3ccc(cc3)N4CCCC4=O -MOL_01_035019,Cc1ccc(cc1)-c2nc(C(=O)NCCC(C)C)cnc2-c3ccc(C)c4=CC(C5=c34)CCCC5 -MOL_01_035020,COc1ccccc1N(C23c4c(C=C2)cccc4)CCN(C3)CCCCNC(=O)/C=C/c5ccsc5 -MOL_01_035021,c1nncc(c12)nc(NC(C)C)c(n2)N3CCC(c(c34)cccc4)Oc5ccc(C#N)cc5F -MOL_01_035022,COc(c1)ccc(c12)N=C3C2=NC(=S)N(C3=O)Cc4ccc(cc4)C(=O)N5CCCC5 -MOL_01_035023,C123C=CC(OC)(C=C1)C(=C2)/C=C\c4c5c(ccc4)S(=O)(=O)c6c(N5C3=O)cccc6 -MOL_01_035024,ONC(=O)C(C(C)C)N(OC(C)C)S(=O)(=O)C(C=C12)=C(C1)C=C2c3ccccc3 -MOL_01_035025,Fc1cccc(C2=CC=C3N)c1C23C(=O)c4ccccc4 -MOL_01_035026,OC1CC(C1)C(=O)c2cc(C)ccc2OC3CCN(CC3)C4CCCC4 -MOL_01_035027,OOc1cccc(c12)OC(OC(=C)CC)c3c2ccc4c3C(O)=CC(C4)(C)O -MOL_01_035028,COc(c1)cc(O)c(c12)C(=O)C3=c4c(=NC3=N2)cc(O)cc4 -MOL_01_035029,COc(c1)ccc(c12)nc3c2c(n(O)c(c3)C)-c4ccc(N)cc4 -MOL_01_035030,N1=NC(=O)C(=O)n(c12)c(=S)nc(c2C#N)-c3ccc(F)cc3 -MOL_01_035031,Cc1ccc(cc1)Cc(n2)nc(O)c(c23)nnn3CCCC(=O)Nc(cc(c45)C)c(c4C)C=C5F -MOL_01_035032,CCC(C)NC(=O)c1ccc(cc1)CN(C(=S)N=2)C(=O)C(C23)=Nc4c3cc(cc4)OC -MOL_01_035033,O=C(O)C(C=C1)=c(c12)c=3c(c(Cl)c2)c4c(C3)cc(cc4)C5CCCO5 -MOL_01_035034,CN(C)c(cc1)ccc1-c(nc(c23)c(NC)c(F)c2)ncc(c3=O)C(=O)NC -MOL_01_035035,CCOc1ccc(CCC(=O)NO)cc1C(=N2)C(=O)c(c23)n(C)nc3CC -MOL_01_035036,Cc1ccc(C)c(c12)C(=C2C)N(S3(=O)=O)CCCN3CC(=O)Nc4ccc(C)c(C)c4 -MOL_01_035037,CCC(C)(CC)NC(=O)c1c(C)nn(c12)C(C)(C)CC(O2)c3ccccc3 -MOL_01_035038,CS(=O)(=O)C(C=C1)=C(C1=2)N=C(N2)N(CC3)CCC34c5c(C(O4)=O)cccc5 -MOL_01_035039,c1ccccc1C=2C(c(cc3)ccc3S(=O)(=O)C)=NC(C24)=NC(N)=NC4=O -MOL_01_035040,CCN(CC)C(=O)Oc1nnc(S2)n1c(ccc(Cl)c3)c3C24C=C4 -MOL_01_035041,COc1ccc(cc1)C(=C(C2=3)C(=O)N=C(N3)N)C(=N2)c4ccc(F)cc4 -MOL_01_035042,NCc1cc(ccc1)-c(nn2C)c(c23)c4c([nH]c3=O)ccc(c4)C5CNCCO5 -MOL_01_035043,C/C=C(C1)/CC(N12)C(OC)Cc3c(C2=O)cc(c(c3)O)OC -MOL_01_035044,C=c1[nH]c(=O)/c(s1)=C/c2c(C(F)(F)C)nn(-c3ccccc3)c2NCCNC -MOL_01_035045,CCCNC(=O)c1ccc(cc1)CN(C(=S)N=2)C(=O)C(C23)=Nc4c3cc(cc4)OC -MOL_01_035046,NC(=O)CN1CCN(CC1)CC2=CC(=N2)c3cn(c(c34)c(Cl)ccc4)CC5CCOCC5 -MOL_01_035047,Cc1ccc(C)c(c1)S(=O)(=O)Nc(c2)ccc(c23)N(CCC3)S(=O)(=O)C45C=CC(C)(N4)C=C5 -MOL_01_035048,O=C(C)c(c12)cc(C#N)c(n1)N3Cc4c(=CC=C3)c(=C/C=C\2)\ccc4 -MOL_01_035049,c1cccc(c12)ncc(n2)C(=O)N3CC(C)N(CC3)S(=O)(=O)C4=CN=C(C4=5)N=CC5 -MOL_01_035050,C=1C=CC(C12)=c3c(=NC2=O)c(C)cc(O)c3-c4ccc(cc4)CCC#N -MOL_01_035051,CC=1C=Nc(c12)c(OC)c=3c(c2)c4c(C(N3)=O)cccc4 -MOL_01_035052,CCc(c1)ccc(c12)C(=O)N(C2=O)CCOC(=S)N(C(=O)C34C(=C3)C=C4)c5cccc(c5)OC -MOL_01_035053,CCOC(=O)C(C=C(C1=O)C(=O)O)=C2N=c(c3=C12)cccc3 -MOL_01_035054,C1CNCCN1C2=NC(=NN=C3N)C3=C(C245)CC(=C4)N(C5)Cc6ccccc6 -MOL_01_035055,Clc(c1)cccc1C(=C(C23)C(=O)N=C(N=2)N)C(=N3)c4ccc(F)cc4 -MOL_01_035056,Cn(n1)cc(c12)CCC(=O)N3C2C(CCC3)C(=O)c4cccc(c45)cccc5 -MOL_01_035057,CCC12Cc3c(cccc3)C(=C1)C=C(C(=O)N2O)C45C=CC(C=C4)(C=C5)OCc6ccccc6 -MOL_01_035058,c1ccccc1N(C(C23)CC3)CCN2C(=O)CN4CCC(CC4)Cn(c56)c7c(n5)c(CC6)ccc7 -MOL_01_035059,O=C(O)CCCCCN1C(=O)C(O)=C(C1C(=C2)C(=C3)C=C(C234)OCO4)C(=O)/C=C/c5ccccc5 -MOL_01_035060,C1CC1CNC(=O)c(nn2)cc(c23)CCC4N3CCN(C4)C(=O)c5ccccc5C(F)(F)F -MOL_01_035061,n1cccc(c12)C(C#N)N3C(=C2)CN(CC3)C(=O)C(c4ccccc4)Cc5ccccc5 -MOL_01_035062,c1cocc1-c2cc(c3)c(cc(c3c24)=C(C4)C)N(Cc5ccccc5)S(=O)(=O)c6ccc(C)cc6 -MOL_01_035063,c1ccccc1CC(C(=O)NC)NC(=O)C(CC(C)C)CC(=O)c2ccoc2 -MOL_01_035064,COc1ccccc1NC(=O)CCC(=C2)C(=O)OC23C=Cc4c(C3=O)cccc4 -MOL_01_035065,CC(=O)Nc1cccc(c1)NC(C)(C)C(=O)NC(C=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=N4 -MOL_01_035066,c1cc(C)c(=N2)c(=C3)c1C=CC23NC(=O)c4ccc(cc4)OCC5CCCO5 -MOL_01_035067,COC(C=C12)=C(C1)C=C2c3ccc(=O)n(n3)CC(=O)Nc(c4)ccc(c45)OCCO5 -MOL_01_035068,c1cccc(c12)n3/c(=N\CC(C)OC2)sc(\c3=O)=C\c4ccc(c(Cl)c4)OCC(O)CO -MOL_01_035069,c12oc(=O)cc3c4cc(ccc4)c(c3)c5cc6c(cc5)oc(c2)c(c6=O)c(c1)O -MOL_01_035070,COc1ccccc1CN(/C(C)=C\C=2)CCCCOc(\c23)cc(O)c4c3=Cc5c(C4=O)cccc5 -MOL_01_035071,COc(c1C)cc(O)c(c12)C(=O)c3c(C2(C)O)c(cs3)C -MOL_01_035072,CC(N)c1ccc(cc1F)-c2c(O)ccc3=NC(=O)C(C4=c23)=CC=C4 -MOL_01_035073,c1cccc2=NC(=O)C(C3=c12)=Cc4c3ccc(c4)C5=NCCN5 -MOL_01_035074,CCn1ccnc1CN(C)CC23C(=CC=C4C2=C4)N=C3C(=O)N5CCCCCCC5 -MOL_01_035075,COC(C=1)=C(O)C(C12)=c3c(=N2)cnc4c(nccc4)[nH]c5c3cccc5 -MOL_01_035076,O1CCOC(C)=C1C(=O)N2CCCC(C2)N(C3)CCN4c(c5C34)cccc5Cl -MOL_01_035077,COC12C=CC(OC)(C=C1)C(=C2)C3CC(=O)Nc(c34)ccc5c4cccc5 -MOL_01_035078,O=C(C)NC([IH]1)=NN(C(=O)C)C1(CC(=O)OCC)c2ccccc2 -MOL_01_035079,CCC1=CC=C(C1=2)C(=O)N(C(N2)=O)c3ccc(cc3)CC(=O)NCc4cccnc4CC -MOL_01_035080,Cc1ccccc1N(CC2)C(CC)/C(N23)=C\C=C/c4c(OC)ccc(c4C(=O)C)OCC(C3)O -MOL_01_035081,CN(C)C(=O)Oc(ccc12)c(c1)C=3C(C=CC3)=C4CC(NC(=O)C2)CCN4Cc5ccccc5 -MOL_01_035082,C1=CC(C)(C)Oc(c12)ccc(c2OC)C3=NOC(C3)C(C=C4)=CC(=C5)C45OC -MOL_01_035083,O=C(C1)CC(N12)Cc3c(C2)c4c(cc(OC)cc4)c5c3c6c(c(c5)OC)occ6-c7ccccc7 -MOL_01_035084,CC(C)c(c1)ccc(c12)N(CCCC2NC)C(=O)C34C=CC(C=C3)(CC4)NC(=O)c5ccccc5C -MOL_01_035085,N#CCC1=C(C=C1)Nc2ncnc(c23)ccc(c3)-c(c4)ccc(c45)OCCC5 -MOL_01_035086,c1cncc(c12)C(CCC2CN)Nc3cc(c(Cl)cn3)-c4cccc(n4)NCc5cccc(F)c5 -MOL_01_035087,O1CC(=O)c(c12)cc(C)c(c2)S(=O)(=O)N(CCN(C)C)Cc3ccccc3 -MOL_01_035088,C1CNCC1CNC(=O)c(c2)ccc(c23)NC(=O)N4Cc5c(C4)cc(\C=C\3)nc5 -MOL_01_035089,COc1ccc(cc1)C(N=NC2=O)=C(C2=3)c4c(N3)ccc(c4)OC -MOL_01_035090,CN(C)C1=NC(N)=NC(C12C)=NC(c3ccc(F)cc3)=C2c4ccccc4 -MOL_01_035091,N=C(N)NCCCC(N(C(=C1)CO2)c(c2c13)ccc3)C(=O)Nc(c4)ccc(c45)cccc5 -MOL_01_035092,c1ccccc1C(=O)C(=N2)C(=C(C2=3)C(=O)N=CN3)c4cc(OC)c(OC)c(c4)OC -MOL_01_035093,c12ccc(O)c(c1)OCc3c(CC(O)C(C2)NC)c(-c4ccccc4)nc(n3)Cc5ccccc5 -MOL_01_035094,Cc1ccc(cc1)CN2C(=O)C(C)Cc(c23)ncnc3N4CCN(CC4)c5ccccc5 -MOL_01_035095,O=C(O)CCCCCc1ccc(cc1)-c2cn(c3c24)cc(n3)c(=O)[nH]c5c6c4c6ccc5 -MOL_01_035096,Oc(c1)ccc2=NC(=O)C(C3=c12)=Nc4c3cc(O)cc4 -MOL_01_035097,Cc1cn(cn1)C(C2)=CC(=C23)C=C(CC3)C(CO4)=Cc(cc45)c6c(c5)oc(=O)cc6 -MOL_01_035098,CC(=O)c1ccc(c2c13)cc(n2)c4cc(c3)c(cc4)NC(=O)COc5ccccc5C -MOL_01_035099,c1ccc(cc12)/C=C3\N(CCS2(=O)=O)C(=O)C(O)=C3C(=O)NC4CCC(CC4)c5ccccc5 -MOL_01_035100,c12ccc(C(=O)C)c(c1)C=C3N(S2(=O)=O)CCC(C3)c4nnc(n4C)CCCN5CCCC5 -MOL_01_035101,COc1cccc(c12)C3C(CC2)CN(C3)CCN(C4=O)C(=O)N=C(C4=5)N=CC5 -MOL_01_035102,CSCCCC(N=1)=NC(=O)C(C12)=C(c3ccccc3)C(=N2)C(=O)c4ccccc4 -MOL_01_035103,CCOC(=O)N(C1)CCC2NC(=O)CCc(on3)nc3c(c4=C12)cc=5c(c4)C5 -MOL_01_035104,CC/N=c(n(C)c1=O)\[nH]c(c12)nn(c2N)Cc3ccc(cc3)-c4cccc(F)n4 -MOL_01_035105,CCCCNc1nc(OCC)nc(c12)nccc2 -MOL_01_035106,c12ccc(OC)c(c1)CC(C(=O)NC2)OC(=O)/C=C/c3ccc(cc3)S(=O)(=O)N4CCOCC4 -MOL_01_035107,COC12C(=C1)c3c(C=C2)c(=O)c(co3)/C=C/C(=O)NCCc4ccccc4F -MOL_01_035108,OOC(C)OC(=O)c(ccc12)c(c1)C3=C4N(CCN(C4)C(=O)N2)Cc5cccc3c5 -MOL_01_035109,C1=CC=CC(C12F)(CC)C(=O)Nc3cccc(c3)C(\C)=N\NC(=O)c4cc(C2)c(cc4)OC -MOL_01_035110,O=CCCNC(=O)C1CCc(n12)cc3c(c2O)cc(c3)-c4cccc(Cl)c4 -MOL_01_035111,c1cccn1-c(n2)nn(c23)cc(cc3C)-c4cc(cnn4)C5CCC(=O)CC5 -MOL_01_035112,CCCN(C1)COc(c12)ccc3c2cc4c(c3)c5n(C4)c(=O)c(cc5)CO -MOL_01_035113,CC(C)=CCOC12C(=C1)C=C(C=C2)c3cnc(o3)-c4ccc(cn4)CN5CCN(C)CC5 -MOL_01_035114,N#Cc1ccc2c(CC(O)CO)cn(c2c13)c4cc(cc3)c(cc4)Oc5ccc(F)cc5 -MOL_01_035115,O=C1OC(C)=C(O)C12C(C)=NC(=C2C)C(=O)OCc3ccccc3F -MOL_01_035116,CN(C1)CCN(C12)c3c(cc(F)cc3)C(O2)(C)NCc4ccncc4 -MOL_01_035117,Cc(c1)cc(C)c(c12)C(CNC2=O)c3sc(nc3C)-c4ccc(F)cc4 -MOL_01_035118,COc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C=C(N4)c5ccc(Cl)cc5 -MOL_01_035119,Oc1c(C)c(O)cc(c12)sc3c(c2=O)c4c(OC3O)cccc4 -MOL_01_035120,c1ccccc1S(=O)(=O)C(C(C234)=CC(OC)(C=C2)C=C3)=CN4CCN5CCCCC5 -MOL_01_035121,CCOC(=O)NCCCN(C(=O)c(c12)cccc2)C1NC(=CC=3)C(C34)=CC(=O)C=C4C -MOL_01_035122,c1cnc(n12)CN3C(CC2C)c4n(CCC3)nc(c4)CNC(=O)C5CCC5 -MOL_01_035123,NC(=O)c(c12)ccc(n1)c3sc(nc3)C(O)CCCCCC(=C\CC2)/c4ccccc4 -MOL_01_035124,CCNCCNC(=O)c(n1)ccc(c12)cc(cc2)Oc(n3)ccc4c3C(=C5)C45C -MOL_01_035125,N=1C=Cc(c12)c3c(cn2)=NC(=O)N3C4CCCCCC4 -MOL_01_035126,Clc1ccc(cc1)C(=CN=2)C(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_035127,c1cccc(c12)C=C(CN2)C(O)(CCC)C(=O)C3=CCC(OC(F)F)=C(C3)OC4CCCCN4 -MOL_01_035128,c1ccnc(c12)c(cc(c2)OC)NC(C)CCCNC(=O)C(N3O)=C(C)N(O)c(c34)cc(C)c(c4)C -MOL_01_035129,c1ccccc1CC(C(=O)OC)NC(=O)OCC/C=C/Cn2cnc(c23)c(N)ncn3 -MOL_01_035130,c1cc(C)cc(C2)c1C(=O)C23C=c4c(cccc4)=C3NC(=O)COc5ccccc5C -MOL_01_035131,C1CCCC1Cc2c(cccc2OC)N3CCN(CC3)CCN(C4=O)C(=O)N=C(C4=5)C=CC5 -MOL_01_035132,COc(c1)ccc(c12)c3n(C2=O)nc(c3)C(=O)O -MOL_01_035133,OCC(=C)N(CC)C1C=NN(C1)/C(=C\C=O)Nc2cc(c3c4c25)cc5OC34 -MOL_01_035134,CCC1=Cc(c2C)cc(c3c12)oc(=O)c(c3)C(=O)c4ccc(cc4)OC(C)(C)S(=O)O -MOL_01_035135,o1cccc1C(=O)C(C2)C(CCNS(=O)(=O)C)=Cc(c23)n(cc3)-c4ccc(F)cc4 -MOL_01_035136,OCOCCC(C1)COc(c12)cc(OO)c(c2)OO -MOL_01_035137,C1=NN=C(C123)N=C(NCC=C)N=C2Nc4c3cc(F)cc4 -MOL_01_035138,COc(c1)ccc(c12)N=C3C2=NC(=S)N(C3=O)CCCCC(=O)N4CCCC4 -MOL_01_035139,N#CCNC(=O)c1ccc(cc1)-c(nc23)c(cn2)c4c([nH]3)ccc(c4)N5CCSCC5 -MOL_01_035140,COc1ccc(cc1O)C(CC2C(F)(F)F)Cc(n23)c(Cl)c(c3)C(=O)O -MOL_01_035141,C123CCN(CC1)C(=O)c4c(cc(OC)cc4)/C(C)=C(/CC2)N(C3)c5ccncc5 -MOL_01_035142,C=1N=NC(=O)C(C12)=C(C)N=C2c3ccccc3Oc4ccccc4 -MOL_01_035143,CCOCCCNC(=O)C(=C1)c(c12)n(C)nc2-c3cccc(c3)OC -MOL_01_035144,C1=CC=CC(C12CC)=NC(=N2)C(=O)N3CC(C3)c4nccnc4Oc5ccc(OC)cc5 -MOL_01_035145,c1ccnn1CC(O)(C2=CC=C2)C(O)(CCCC)c3ccccc3 -MOL_01_035146,Cc1cccc(c1)C2CC(=O)N(C2)c3cccc(c3)CN(C4=N)C(=O)CC4(C)C(C)C -MOL_01_035147,CCCCCC(=O)c(c12)c3c(cccc3)c(c1)OCCCN4/C(=C/2CC)CN(CC4)C(=O)C(C)(C)O -MOL_01_035148,n1cnc(N)c(c12)c(cn2C(C)C)NC(=O)c3ccccc3 -MOL_01_035149,c1ccccc1C(N(O)c(c23)cccc3)=C(N2O)C(=O)NCCc4ccccc4 -MOL_01_035150,CC(C)CNc(c12)c(ccc1)n3c(CCNS2(=O)=O)cc4c3cccc4 -MOL_01_035151,C1OC(C)(C)CC(C1=2)=C3C(C2)=NC(=S)N(C3=O)Cc4ccccc4 -MOL_01_035152,CC(C)OC(=C1)C(C=C2)(C=C(C123)C(O3)(C)C)/C=C4\C(=O)Nc(c45)cc(Cl)cc5 -MOL_01_035153,COC(=CC=1)C(C12)=Nc3c(C2=O)cc(cc3)C(=O)NC(CO)C(C)C -MOL_01_035154,c12ccc3c(c2)C(N)(Cc3c1)C(=O)NC4CCC(=O)N(C4=O)CC(=O)Nc5ccccc5F -MOL_01_035155,c1ccccc1C(=O)C(C=2c(cc3O)ccc3)=NC(C24)=NC=NC4=O -MOL_01_035156,O=C(N1)c(cc2)ccc2C(=O)N(CCN(C)C3)/C3=C/C=C(\CCCC4)C14C(=O)NCC#N -MOL_01_035157,COc1ccccc1N2CCN(CC2)CCCN(C3=O)C(=O)N=C(C3=4)C=C(N4)c5ccc(C)cc5 -MOL_01_035158,COc1ccc(C(=O)C)cc1-c2ccc(c23)n(N)cc(n3)C -MOL_01_035159,C12=CC(=O)NC(C1)c3c(ccc(Cl)c3)C2CCN4CCC(CC4)c5cccc(c56)OCC6 -MOL_01_035160,Cc1c(c2c13)cc4c3c5c(cn4)c(=O)n(cn5)c2CCCN6CCN(CC6)c7cccc(c78)C8 -MOL_01_035161,COC12C=CC(C=C1)(C=C2OC)c3nnc(n34)c(ccc4)NCCN5CCOCC5 -MOL_01_035162,COc1ccc(cc1)-c2c(oc(NC(=O)C)c2CN)C34C=CC(OC)(C=C3)C=C4 -MOL_01_035163,c1ccccc1C(=O)Nc(n2)cn(c23)c(ccn3)-c4ccccc4 -MOL_01_035164,COc(c1)ccc(n12)c(C)c3c([n+]2[O-])cc(c3)C(C)C -MOL_01_035165,CC12CC(OO1)=C(C(=O)O)C(C)(C2)c3cc(C(F)(F)F)cc(C(F)(F)F)c3 -MOL_01_035166,C=1C=CC(C12)=CC=C2CC(N(C)C3=O)C(=O)N(C)C3(O)Cc4ccccc4O -MOL_01_035167,C1CCCCN1CCN(C)c(ccc23)c(c2)/C=C4/c5c(CN(C4)C3=O)cc(cc5)OS(=O)(=O)N -MOL_01_035168,c1cc(O)cc(c12)c3cn2C(=O)CC(CC)CCCCC(C3)C(=O)NNCCN4CCCC4 -MOL_01_035169,CC(C)/N=C/N/N=C/C12C(C=CC=C1)=C(c3c2cccc3)/C=N/N=C(NC(C)C)NC(C)C -MOL_01_035170,Oc(c1)ccc(c12)C=3C(C(S2)=O)c4c(N3)cc(O)cc4 -MOL_01_035171,CCc(s1)cc(c12)C=CN(S2O)S(=O)(=O)c3ccccc3Cl -MOL_01_035172,CCCCCCC1=CC(=NC(=NC=N2)C12N)c3ccc(nc3)N4CCOCC4 -MOL_01_035173,CC/N=c(n(C)c1=O)\[nH]c(c12)nc(Cc3ccccc3)n2Cc4cccnc4 -MOL_01_035174,CC(C)(C)OC(=O)N(CCN12)/C(C1)=C/C=C(\c3cccc(O)c3)n4cc(nn4)CCC2=S -MOL_01_035175,c12c3c1cc4c(c3nc(C)c2)c5c4cnc(Cl)c5CN -MOL_01_035176,CC1c(c12)c(=O)[nH]c3c2cc(cc3)-c(oc4=O)nc(c45)cccc5 -MOL_01_035177,C1=CC=CC(C123)=C4C(C=C2)(CC3)C(=C(C=N4)C(=O)OCC)Nc5ccccc5O -MOL_01_035178,COCn1ccnc1C(O)(C2=C(OC)C=C2)c3ccc(OC)cc3 -MOL_01_035179,NS(=O)(=O)c1ccc(cc1)-c(n2)c(c3c24)c5cc(ccc5)cc4cc(F)c3 -MOL_01_035180,COC(=O)c(c1)ccc(c12)n(c(c2)C)CC3CCCN(C3)c4cc(OC)cc(n4)OC -MOL_01_035181,NCc1c(N)sc(n1)C(C(F)(F)Cl)(OC)c2ccccc2 -MOL_01_035182,c1ccccc1-n(c2=O)c(cn(c23)ccn3)C(C)Nc4ncnc(N)c4CO -MOL_01_035183,C1COCCN1CCNC(=O)c(c2)ccc(c23)CC(=O)N3Cc4ccccc4 -MOL_01_035184,Cc1ccc(cc1)-n(c2=N)nc(C(=N)NO)c(c23)cnn3-c4ccccc4 -MOL_01_035185,O=C(N=1)C(=O)N=c(c12)cc(Cl)c(Cl)c2N(S(=O)(=O)C)Cc3cccc(F)c3 -MOL_01_035186,C1CCCC1OC(=O)c(c2)ccc(c23)CNc4c3cc(F)c5c4nccc5 -MOL_01_035187,FC(F)(F)c1c(OC)cnc(c12)c(ncc2)C(=O)NC(C(=O)O)CC(=O)O -MOL_01_035188,Cc(c1)c(C)cc(c12)N(O)C(=C(C)N2O)C(=O)NCCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_035189,COC(C=1)=CN(OC)n(c12)/c(c(o2)=O)=C/c3ccccc3 -MOL_01_035190,COCCCN(C)c1c(cnn1C)NC(=O)c2cc(sc2N)-c3ccccn3 -MOL_01_035191,OCCCCc1nc(-c(cc2)ccc2C(C)N)cc(c13)ncn(c3=O)C -MOL_01_035192,c1ccccc1Cn2cc(C(=O)OCC)cc(c23)c(=O)c4c(c3)cccc4 -MOL_01_035193,c12ccc(OC)c(c1)n3c(c2)CN(CC3O)C4CCCN(C4)C(=O)CN5CCCCC5=O -MOL_01_035194,C1=C(C2)C=CC(C123)=CC(=C3C)N(S(=O)(=O)CCCC(C)(C)O)Cc4ccc(F)c(C(F)(F)F)c4 -MOL_01_035195,CC(C)NCCCNc1c(c2n(C)c(c13)cccc3)nc4c2cccc4 -MOL_01_035196,COc(n1)cc(OC)c(c12)/C=C\c3cc(F)cc(c3)C(=O)N4CCN(C2=O)CC4 -MOL_01_035197,Cc1nsc(c12)ncnc2N3CCCC(C3)C(=O)NCCC(C)C -MOL_01_035198,COC(=O)c(c1)ccc(c12)N(O)C(C(F)(F)F)=C(N2O)C(=O)c3ccccc3 -MOL_01_035199,C1CC=CC(=C12)NC(N2)NC(=O)C(=O)CC(C(=N3)O)Nc(c34)ccc(c4)C(=O)C5=CC=CCC5 -MOL_01_035200,c1cccc(c12)c(ccc2C)C(=CC=C34)N(C3)C(=O)C4N5CC(C5)c6ccc(O)cc6 -MOL_01_035201,c1cccc(N2)c1C(C(=O)CC3)C23c4ccc(O)cc4 -MOL_01_035202,CNC(=O)C12C(=C1)C(=CC=C2)Nc3nc(ncc3F)N4CC(C4)Oc5ccc(F)cc5 -MOL_01_035203,COc(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)NCCNc3ccnc(c34)cc(Cl)cc4 -MOL_01_035204,C=1C=NC(=O)C(C12)=C(C)N=C2c3ccccc3Oc4ccccc4 -MOL_01_035205,Clc(c1)ccc(c12)C(=O)C=C2NC3CCN(CC3)Cc(c4)ccc(c45)nco5 -MOL_01_035206,c12cc(co1)/C=C3\CN(C2=O)CCN3C(=O)NC4CC(=O)N(C4)c5ccccc5 -MOL_01_035207,c1ccncc1/C=C2\CC(=C)N(C2=O)NC(=O)C(c(cc34)c(nn3)cc4)c5ccccc5 -MOL_01_035208,COCOOCOOCOC12c3c(cccc3)OC(C1)c4c2cccc4 -MOL_01_035209,CNC12C=CC(C=C1)(C=C2)C(=O)Oc(c3)cc(O)c(c34)c(=O)c5c(o4)cccc5 -MOL_01_035210,O=C(O)C(C)(C)NC1=C(C1)Nc(n2)c(c23)c4c3ccc(c4)C(=N)N -MOL_01_035211,Cc1ccc(C(C)C)c(c12)OCC(/O)=C(C#N)\C3=Nc4c(=N3)cc\c(=C\2)c4 -MOL_01_035212,CC(C)(C)OCc1ccc(cc1)C(=O)NC(=C2)C=CC(C234)=CC(=N3)C4O -MOL_01_035213,Fc(c1)c(F)cc(c12)N(O)C(=C(C#N)N2O)c3ccco3 -MOL_01_035214,CC1=NN=c(c12)nnc=3c2N=C(N3)CCCCC(=O)O -MOL_01_035215,COc1c(OC)cc(cc1OC)OCC(O)CN(C2)CCn(c23)c4c(oc(C)c(F)c3)cccc4 -MOL_01_035216,C1CNCCN1CCN(C2=O)C(=O)N=C(C2=3)c4c(N3)cccc4 -MOL_01_035217,C1CCCCC1N(C)C(=O)c2cc(OC)c(cc2)OC3CCN(C(=O)C)c(c34)cccc4 -MOL_01_035218,COC1=NN=C(C1=2)N=CC2NC(=O)c3cc(ccc3C)C(=O)Nc4cccc(C(F)(F)F)c4 -MOL_01_035219,COc1ccc(OC)c(c1)C(C=2CO)CC(=O)N(C23)CN(CN3)c4ccccc4 -MOL_01_035220,O=C1N=C(O)CC\1=C2\C(C)=C(C)c(c23)cc(cc3)OCC4CCC(CC4)C(=O)CO -MOL_01_035221,COC(=O)C1c(c2)ccc(cc(OC)c3OC)c2c3/C=C(\C14)CCN4 -MOL_01_035222,c1cccc(c12)c(NCCO)c3c(n2C)c4c(n3)cccc4 -MOL_01_035223,CC(=O)NCCCCCC(=O)Nc(c(c12)c2)cc1-c3cnn(c34)CC(C4)(C)C -MOL_01_035224,CCN(CC)CC(=O)Nc(c12)ccc(c1)c3nc4c(n3)cc(C(F)(F)F)c(c2)c4 -MOL_01_035225,CCCC1CSC(N)=NC1C2=CC(=N2)NC(=O)c3ccnn3C4CC4 -MOL_01_035226,CCCNC(=O)c1cc(sn1)C2CCCCN2S(=O)(=O)c3ccccc3 -MOL_01_035227,Nc(n1)cc(O)c(c12)cnn2C3C=CC(C3)CO -MOL_01_035228,CN(C)C(=O)c(n1C)cc(c12)ccc(c2)Nc3ccc(cc3)C(=O)N(CC45)C(C4)CN5 -MOL_01_035229,Nc1ncnc(c12)n(COCCO)c(n2)CCc3ccccc3 -MOL_01_035230,Cc1nsc(n1)C2CCCN(C2)C(=O)c3cc(F)c(F)n3C -MOL_01_035231,O1COc(c12)ccc(c2)C(=N3)C(C#N)=C(C3=4)C(=O)N=C(N4)N -MOL_01_035232,COc1ccccc1NC(=O)c2cnc(c(c23)C=C3)Nc4ccccc4OC -MOL_01_035233,CCCCOC(C(C12)C=NN=1)=C(C=N2)C(=O)c3c(F)cc(Cl)cc3F -MOL_01_035234,COC1=C(C=C1)C(=N2)c(n23)nnc3COc4ccc(N)cc4N -MOL_01_035235,FC(F)(F)Oc1ccc(cc1)C(=C(C#N)N2O)N(O)c(c23)ccc(c3)C4OCCO4 -MOL_01_035236,C1CCCCCC1NC(=O)C2CCN(c(c23)cccc3)S(=O)(=O)C4CCCCC4 -MOL_01_035237,Cn1ccc(n12)ccc2-n3ccc(cc3=O)-c4ccc(C(F)(F)F)cn4 -MOL_01_035238,Cc(c1)c(C)cc(c12)N(O)C(C#N)=C(N2O)c3ccco3 -MOL_01_035239,O=C1N=CN=C(C1=2)N=C(C2)c3ccnc(c3)NC(=O)c4ccc(cc4)C5CCCC5 -MOL_01_035240,Fc(c1)c(F)cc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3cccs3 -MOL_01_035241,Cc1ccc(cc1)N(C(=O)C=2C#N)C(=C)N(C23)CCCCC3 -MOL_01_035242,NC(=O)c1ccc(cc1)N2CCN(CC2)/C(=C/C=c/34)CCCC5=c(c(c3)N=C5)cc4C(=O)N -MOL_01_035243,c1cccc(c12)N(O)N=C(N2O)NCCN(C)CCNC(=O)c3cccc(c34)cc5c(n4)cccc5 -MOL_01_035244,CCOC(=O)c1c(O)n(-c2ccccc2)c(=O)n(c1=O)-c3ccccc3 -MOL_01_035245,COc(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)CC(=O)C(=O)Nc3cccc(C)c3C -MOL_01_035246,COc(c12)ccc(c1)cc(o2)C(CC)C(=O)Nc3cccc(c3)S(=O)(=O)N4CCCCC4 -MOL_01_035247,c1ccccc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)ccc(c3)C(F)(F)F -MOL_01_035248,COC(=O)C(CC(C)C)Nc1nc(nc(c12)N=C2N)CCc3ccccc3N -MOL_01_035249,c12c3c(c3)cccc4n(c(c1OC)ccc2)nc(c4)-c5ccc(C(=O)N)cc5 -MOL_01_035250,Cc1ccc(cc1C)C(C=N2)=c(c23)n4c(c(n3)=O)ccc4 -MOL_01_035251,C1CC1C(=O)OC23C(C=C2)=NC=C3CCNC(=O)c4ccccc4NC -MOL_01_035252,CC(C)n1nnc(c12)ccc(c2)-c3scnc3-c4ccc(F)cc4 -MOL_01_035253,CCCC(OCC1)=C(CCO2)C12COC(=O)c3cc4c(c5c34)cccc5 -MOL_01_035254,CNCCCCC(=O)NC(c(c12)cccc2)C(C1)NC(=O)C(C=C3)=C(C3=4)C=CN4 -MOL_01_035255,CC(=C12)C(O)=C3N(CCC3)C(CCC1)C2N(C)C(=O)C(c4ccccc4)c5ccccc5 -MOL_01_035256,O=C(N=1)C(=O)N=c(c12)cc(Cl)c(Cl)c2C(CC)c3ccccn3 -MOL_01_035257,Fc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3cccs3 -MOL_01_035258,CCOC(=O)Cn1cnc(c12)c(nc(n2)O)CCc3cc(C)ccc3O -MOL_01_035259,CCNCCC(C)c1ccc(cc1)-c(c2)cc(NC(C)C)c(c23)c(=O)n(cn3)C -MOL_01_035260,COc1ccc2c(n3)nnn3CC(=O)c(cc4)ccc4c(co5)c2c15 -MOL_01_035261,Cc1c(O)c(C)c(cc1C)CCC(C)C(=O)N2CCN(CC2)c3ccccn3 -MOL_01_035262,CCOC(=O)C(N=1)=Cc(c12)ccc3c2=Nc4c3ccc(Cl)c4 -MOL_01_035263,C1CC1/C=C/C2(C(O)(O)O)OC(=O)Nc(c23)ccc(c3)-c4ccccc4 -MOL_01_035264,Fc1cc(C(F)(F)F)ccc1C(=O)Nc2ccc(CO3)c4c2S34O -MOL_01_035265,c1ccoc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)cccc3 -MOL_01_035266,Cc1ccc(cc1)C2=CB=C(C2=3)C(=O)N=C(N3)N4CCCC(C4)C(=O)N -MOL_01_035267,COC/C(OC)=C/C(=O)C(O)C(=O)c(c1O)ccc(c12)cc(OC)c(c2C)C(=O)OC -MOL_01_035268,c1ccccc1C2=NC(C(=O)C)C(C2)n(cc3O)cc(c34)cc(c4)C -MOL_01_035269,CCOC(\O)=C\C(\C)=C(C1)\C(CC(=O)OCC)=CC(=O)c(c12)cccc2 -MOL_01_035270,c1ccccc1Cn2nnnc2C3(CC)C=C(N34)CN(CC4)C/C=C/c5ccccc5 -MOL_01_035271,CNC(=O)CCCN1C(=O)CCn(c12)cc(c2)-c3cn(C)c(c34)cccc4 -MOL_01_035272,FC(F)(F)c(c1)ccc(c12)nccc2NCC(=O)NCCNCCCC(O)C3=CN=C3 -MOL_01_035273,Clc1cc(ccc1)CC(N)C(=C2)C(=O)N(CCC3)C23CNC(=O)c4ccccc4 -MOL_01_035274,CC1(O)C=C(N=N1)NC(=O)c2ccc(C)c(c2)S(=O)(=O)N3CCCCCC3 -MOL_01_035275,CCC(C)C(O1)Cc(c12)c(O)ccc2CNCC(=O)C -MOL_01_035276,COc1ccccc1C(=O)CCC2CC(=O)NC2=O -MOL_01_035277,CC(C)(C)c(c1)cc(C(C)(C)C)c(c12)OC(=O)C2(O)C(Cl)(Cl)O -MOL_01_035278,c1ccccc1C(C)c(c2)ccc(c23)C=C4C3=NC(=NC4=O)CN(C)C -MOL_01_035279,CCOCCN(S(=O)(=O)C)c1c(F)c(F)cc(c1=2)=NC(=O)C(N2)=O -MOL_01_035280,C/C(=C/12)/C=C/c3c(cccc3F)C(=O)N(C1)CCN2C(=O)Nc4ccc(C(F)(F)F)cc4 -MOL_01_035281,CCc1c(OC)cc(cc1CC)C2=C(C(O)CC\2=C/O)c3ccc(OC)c(O)c3 -MOL_01_035282,C1CCCCN1NC(=O)c2ccccc2NC(C=C3)=C(C3=4)N=NC4/C=C/c5ccccn5 -MOL_01_035283,c1cc(F)cc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3cccs3 -MOL_01_035284,c1cccc(c12)cc3c4cc(ccc4)c(=O)c5ccc(cc5)n(c2=O)oc3=O -MOL_01_035285,CCC1CCCCN1CCNC(=O)C(=CC=2)C(C23)=NC(=O)N(C3=O)Cc4ccccc4OC -MOL_01_035286,CC(=O)Nc1ccc(cc1O)C2=NN(C(=O)CC2)Cc3nnc(o3)-c4ccccc4 -MOL_01_035287,C1=CC=CC(N2C)C1=C(c(c23)cccc3)Nc4ccc(C(=O)N)cc4 -MOL_01_035288,c1cccc(c12)N(O)C(=C(N2O)C(=O)OCC)c3ccc(C)cc3 -MOL_01_035289,COc1ccc(cc1OC)/C=C/C(=O)C(/C=C/CO)C(=O)/C(/C=C\O2)=C/c(cc23)ccc3OC -MOL_01_035290,COC(=O)c1ccc(cc1)-c2nn(c(c23)cc(s3)C)Cc4ccccc4 -MOL_01_035291,CC(C)c1nnc(n1N)CCC(=O)N2CCc(c23)cccc3 -MOL_01_035292,c1ccccc1CC(CCN23)(C(=O)OCC)/C(C2)=C/C=C(\C)n4c(C3)ncc4 -MOL_01_035293,CC(S1)Cc(c12)nc(n(c2=O)CC)CCC(=O)NCc3ccccc3 -MOL_01_035294,CC(=O)ON(C1(C)C)C(C)(C)Cc(c12)nsc2N -MOL_01_035295,COCCNc1cc(ncc1OC)-c2ccc(cc2)NC(=O)Nc3ccc(nc3)N4CCOCC4 -MOL_01_035296,CN(C)CCCNC1=NC(=NC(C12N)=CC=C2)c3ccc(cc3)NC(=O)Nc4ccccc4Cl -MOL_01_035297,Fc1ccc(cc1)C2=C(N=NC2=O)c3ccnc(n3)NCc4cccc(C(F)(F)F)c4 -MOL_01_035298,Cc1ccccc1NC(=O)Nc(ccc23)c(c2)/C=C\C=4c5c(NS3(=O)=O)ccc(c5)CC(C4)(C)N -MOL_01_035299,Cc(c1)c(C)cc(c12)N(O)C(=C(C(F)(F)F)N2O)C(=O)c3ccccc3 -MOL_01_035300,C1CC(C)CC(=C12)C=C3C2C(=NC=N3)SCC(=O)Nc4ccc(C(=O)O)cc4 -MOL_01_035301,Fc1ccc(cc1)C(=C(C#N)N2O)N(O)c(c23)ccc(c3)C4OCCO4 -MOL_01_035302,CCOC(=O)c(c1)ccc(c12)N(O)C(C(F)(F)F)=C(N2O)C(=O)CC -MOL_01_035303,c1cnccc1C(=O)Nc2ccc(cc2)-c3cccc(c3)-c(n4)cc(c45)cc6c(c5)c6 -MOL_01_035304,c1cc(OC)cc(c12)OCC(CC(=O)OCC)C2NC(=O)N(C=O)c3ccc(OC)cc3 -MOL_01_035305,COc1ccc(cc1NC)-c(c2)ccc(c23)c4c(C3)oc(n4)N -MOL_01_035306,c12ccc(NC1O)cc2N(C(=O)CC)C3CCN(CC3)CCn4nnn(c4=O)C(C)C -MOL_01_035307,CCCC(=C)C1=C(COCOC)C=C(O)/C(=C(/C)CO)C1c2cccc(C)c2C -MOL_01_035308,O=C(O)C1=NC(=C1)C(CC)NC(=O)N2CC(=O)NCC(C2=O)Cc3cc(C)ccc3OC -MOL_01_035309,Clc1ccc(cc1C)C2CCC(=O)N2NC(=O)c3ccncc3 -MOL_01_035310,ClC12C(=C1)C=3C(=C2)C(=CN3)CCNC(=O)c4cccc(c4)Cc5cccs5 -MOL_01_035311,C1CCCCC1NC(=O)C(N2\C(=C\C=C3\C)COCC2)CC(=O)c(cc34)ccc4C(C)C -MOL_01_035312,CC1COc(c12)c(C(C)(C)C)cc(c2)-c(c3)cc(n34)S(=O)(=O)C=C4 -MOL_01_035313,c1ccccc1C(=O)C(N2O)=C(C(F)F)N(O)c(c23)cc(Cl)c(Cl)c3 -MOL_01_035314,NC(=O)c(c1C)ccc(c12)c3c(cccc3)CN4C5CC(O2)CC4CC5 -MOL_01_035315,COc(c1)ccc(c12)N=C3C2=C(C)N=NC3=O -MOL_01_035316,Fc1ccccc1C(=O)C2=C(C(=O)N)C(=N2)c3ccc(cc3)NCC4CCCCC4 -MOL_01_035317,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)C/C(=N\O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl -MOL_01_035318,O=C(C)C(N1O)=C(C(F)(F)F)N(O)c(c12)cc(F)c(c2)N3CCOCC3 -MOL_01_035319,O=C1COC(=O)N1CCCCCNCC(O2)CCc(c23)cccc3 -MOL_01_035320,OCCCc(cc1OC)cc(c12)cc(s2)-c(c3)ccc(c34)OCO4 -MOL_01_035321,COc(c12)c3c(co1)c4c(c(c2)c3)cc5c(n4)c(ccn5)NC(=O)NC(C)(C)C -MOL_01_035322,O=C(C1)N(C)CCC(O)N(CCOC2)\C2=C\c(c(F)c(F)cc3)c3CN(C14)CCNC4=O -MOL_01_035323,N1=NC=C(C1=2)C(=O)N(C(N2)=S)c3cccc(C(F)(F)F)c3 -MOL_01_035324,c1ccn(c12)c=3c(nc2=O)N=CC3c4ccc(Cl)cc4 -MOL_01_035325,Oc1ccc(cc1)N2C(NCC2=O)c(c(n3)S)cc(c34)cccc4 -MOL_01_035326,Clc1ccccc1-c2nsc(C)c2C(=O)Nc3ccccc3C(=O)N -MOL_01_035327,O1COc(c12)ccc(c2)C(C(=C34)CC4(C)C)CC(=C3)NCc5ccccn5 -MOL_01_035328,c12c3nnc(o3)c4cc(oc(c1)c(OC)cc2)c(cc4)C(=O)N5CCCC(C5)CO -MOL_01_035329,c1cccnc1NC(=N)Nc2ccccc2C(N3)CC(=O)N(N34)C=CC=N4 -MOL_01_035330,Cc1ccc(cn1)C(=O)N2CCC(CC2)c3nsc(n3)-c4cccnc4 -MOL_01_035331,C1CCc(n12)ncc(c2=O)C(=O)NCCNC3/C=C\C=C(C4)/C=4c(ccc35)cc5 -MOL_01_035332,c1cccc(c12)N(C(=C)C)C(C)CC2Cc3ccccc3C(=O)O -MOL_01_035333,Cc1ccccc1C2=C(N=N2)SCC(=O)N3CCCc(c34)cccc4 -MOL_01_035334,FC(F)(F)C1=CC(=N1)C(=O)Nc2c(cc(Cl)cc2C)C(=O)NC(C)(C)CS(=O)(C)=NC#N -MOL_01_035335,CC(C)(C)OC(=O)NCCN(C)Cc(c1)ccc(c12)C(n3c2ncc3)c4cccc(Cl)c4 -MOL_01_035336,CN(C)CCNC(=O)c1ccc(cc1)-c(nc23)cc(n2)c4cc(cc3)c(cc4)C(=O)NCCN(C)C -MOL_01_035337,COc(c1)ccc(c12)CC(N)(C=C2)C(=O)NC(C(=O)N)Cc3ccccc3C -MOL_01_035338,c1cccc(c12)n(C)nc2CC(=O)Nc3cccc(c3)-c4ccc(C#N)cc4 -MOL_01_035339,Cc1cccc(c1C)N2CCN(CC2)C(=O)CCc(nc3O)cc(c34)cccc4 -MOL_01_035340,c1nccnc1-c(cc2)cc(c23)CCc4c5c(ccc4)Cc6c5ccc(c6)CNC3=O -MOL_01_035341,COc(cc12)c(cc1)C(=O)NC(CCCC)C(=O)N3/C(=C\2)CC(CC3)Cc4ccccc4 -MOL_01_035342,CN(C)CCn1ccc(c12)ccc3c2S4CCC3CC4 -MOL_01_035343,Cc(c1)ccc(c12)CN(C2)C(=O)Nc(ccc34)c(c3)/C=C5\C(CCC5)CNC4=O -MOL_01_035344,O=C1OC(C)(C)\C=C/C=C(\N12)CC(CC2)C(=O)NS(=O)(=O)c3c(Cl)cccc3Cl -MOL_01_035345,COc(c1)ccc(c12)CC(=O)OCC(=O)Nc3c(C)cc2c(Cl)c3 -MOL_01_035346,OCC1CN(CCC1)CC(=O)NC(N=2)=Cc(c23)cc=4c(c3)N=C(C4)NC(=O)CN5CCCC(C5)CO -MOL_01_035347,CCN(CC)CCCCn1cnc(c12)c(O)cc(n2)Nc3ccccc3 -MOL_01_035348,COCc1c(C=CN2)c=2c(CC(C)N)c(c1=3)C=CC3 -MOL_01_035349,c1ccccc1CC(=NC2=O)N=C(C2=3)N=C(C3)c4ccnc(c4)/C=C/c5ccccc5 -MOL_01_035350,O=C(O)C(=C1)C=CC(C1=2)C(=O)N(C(N2)=S)c3ccccc3 -MOL_01_035351,COC1=NN=C(C1=2)C=C(N2)NC(=O)NC(c3ccccc3)c4ccnn4C -MOL_01_035352,COC(=O)CCN(C)C1C(C(=O)OCC)Cc(c12)c(OC)c(OC)c(c2)OC -MOL_01_035353,C1CNCCC1CNc(n2)cc(n3)[nH]c(cncc4)c4cc(c=5c23)C=CC5 -MOL_01_035354,c1cccc(c12)cc(OC)c(c2)C(=O)NC3=C(N=N3)c4ccncc4 -MOL_01_035355,c1cccc(c12)CN(CC)S(=O)(=O)c3c(C2)cc(cc3)S(=O)(=O)N4CCN(CC4)CCC#N -MOL_01_035356,Cc(c1)c(C)cc(c12)N(O)C(=C(C)N2O)C(=O)CC(=O)C(=O)Nc3ccccc3C(C)C -MOL_01_035357,CC(C)NC(=N)c1ccc(cc1C)NC(=N2)N=C(C23C)C=CC(=C3)C(=N)NC(C)C -MOL_01_035358,COc1ccc(c(c1)OC)CNC(=O)c2cccn2-c3cn(nn3)N4CCCC4 -MOL_01_035359,COC(=O)c1ccc(cc1)C(N2O)=C(C#N)N(O)c(c23)cc(F)cc3 -MOL_01_035360,NC(=O)C(C1N)=CC=C(C1=2)N=C(N2)c3ccc(cc3)OCC4CCC(O)CC4 -MOL_01_035361,c1cccc(c12)nn(n2)C(C(=C3C)C34C)=C(C=C4)OC(=O)COc5ccccc5 -MOL_01_035362,N12CCN(C)N(N1)c3ccc(nc3)c4ccc(cn4)C5C(C5)NCC2=O -MOL_01_035363,COc1ccccc1NC(=O)c2c(-c3ccc(C)cc3)ncc(c24)cccc4 -MOL_01_035364,c12ccc(OC)c(c1)OCc3c(CC(O)C(C2)N(C)C)cc(cn3)-c4ccccc4 -MOL_01_035365,CCCCn(c1=O)c(=O)nc(c12)sc3c(c2)cccc3 -MOL_01_035366,C1=C(C2)C12Oc3ccc(cc3)C(C(=O)NC)c4cccc(c4)-c5cccnc5 -MOL_01_035367,Clc1ccc(cc1)OCC(=O)OCC(=CC2=O)c(n23)cc(n3)C4CC4 -MOL_01_035368,c1ccccc1-n2nc(-c3ccccc3)/c(c2=C)=C\CC(C(=O)O)Cc4ccc(O)cc4 -MOL_01_035369,CC(C)CC(CO)Nc1nc(nc(c1=2)=NC(=O)C2)SC(C)c3ccccc3 -MOL_01_035370,N1=NC=C(C1=2)C(=O)N(C(N2)=S)c3ccccc3F -MOL_01_035371,Cc1ccc(cc1)C(C=N2)=c(c23)n4c(c(n3)=O)ccc4 -MOL_01_035372,n1cc(Cl)cc(c12)C(CCC(=O)N2)c3ccccc3F -MOL_01_035373,C1CC(C)(C)c(c12)ccc(c2)/C=c3\sc(=C)n(c3=O)CCC(=O)N4CCCCC4CCO -MOL_01_035374,Cc(c1)ccc(c12)n3c(c4occ(c4)cc2)nnc3SCC(=O)OC(C)C -MOL_01_035375,CCOc(c1)ccc(c12)N(O)C(N)=C(N2O)c3ccccc3Cl -MOL_01_035376,CCOC(=O)COc1ccc(cc1OC)/C=C2/C/C(=N\c3ccccc3)N(C2=O)Cc4ccccc4 -MOL_01_035377,CC(C)(C)C(=O)C(N1O)=C(C(F)(F)F)N(O)c(c12)cc(F)c(F)c2 -MOL_01_035378,Fc1ccccc1-c2nc(C#N)c(s2)NC3CCCCC3 -MOL_01_035379,c1cn(C)c(c12)cccc2CCC(CNC)CNC(=O)OCc3ccccc3 -MOL_01_035380,COCCN(C1=O)CCC(=C12)N(O)c3c(N2O)cccc3 -MOL_01_035381,CCn1ccnc1CN2CCCCC2C(=O)Nc(c3)ccc(c34)oc5c4nccc5 -MOL_01_035382,Fc(c1)ccc(c12)NCc3c2c(on3)OCC4CCN4 -MOL_01_035383,c1ccncc1/C=C(\C(=O)OC)NC(=O)c(ccc23)c(c2)c4c(cccc4)c5c(CO3)cccc5 -MOL_01_035384,CCNC(=O)c1ccccc1NC(=O)c2c(coc2C)-c3c(Cl)cccc3Cl -MOL_01_035385,O=C1N(N)C(=O)N=C(C1=2)c3c(N2)cccc3 -MOL_01_035386,C1CCC12C3=CC(=C2OC)C(=C3OC)/C=N/NC(=O)c4ccc(cc4)-c5ccccc5 -MOL_01_035387,Fc1ccc(cc1)C(=O)CN(CC2)CCC23C=C4c5c(C(=O)N4C3)cccc5 -MOL_01_035388,CS(=O)(=O)C12C(C=C1)=NC(=C2)c3ccc(cc3)-c4cccnc4 -MOL_01_035389,Cc1oc(C(=O)O)c(c12)Cc3c(ccc(c3)OC2)-c4ccc(C#N)cc4 -MOL_01_035390,C1CCC(=C12)N(O)C(=C(C)N2O)c3ccco3 -MOL_01_035391,O=C1CC(C(=O)N1)Cc(c2)ccc(c23)OC(C3)CC4CCCCC4 -MOL_01_035392,C1CCOC1C(=O)N2CCN(CC2CC)C(=O)Nc(c3)cc(C(=O)OC)c(c34)CCCOC4=O -MOL_01_035393,c1cc(Cl)cc(c12)N(O)C(=C(C)N2O)C(=O)NCc(c3)ccc(c34)OCO4 -MOL_01_035394,C1=CC(O)=CC(C12N)=NC=C2C(=O)CN3CCC(CC3)Cc4ccc(F)cc4 -MOL_01_035395,C1COCCN1CCCNC(=O)C(=CC=2)C(C23)=NC(=S)N(C3=O)Cc4ccc(Cl)cc4 -MOL_01_035396,CNC(=O)c1cnn(c1NC)Cc2ccc(cc2)-c3ccccc3 -MOL_01_035397,COc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccc(OC(F)(F)F)cc3 -MOL_01_035398,Fc1cc(F)c(F)cc1NC2=C(N=N2)C(=O)Nc3ccc(nc3F)OC4CCC(C(=O)O)CC4 -MOL_01_035399,C1CCCC(=C12)N(O)C(=CN2O)c(o3)cc(c34)cccc4 -MOL_01_035400,N12CCOC(C1)=CC=C2CN3C(=O)N(C)C(C3)C(=O)NCc4cccc(C(F)(F)F)c4F -MOL_01_035401,C=1C=C(C)C(C12)=NC(O)=C(C2=O)C(=O)NCc3ccccc3Cl -MOL_01_035402,NC(N=1)=NC(=O)C(C12)=NC=C2C(=O)c3ccc(I)cc3 -MOL_01_035403,CN(C)c1nc(ccc1)Nc2ccc(cc2OC)C(=O)N3CCC(CC3)N4CCN(C)CC4 -MOL_01_035404,c12c3cc(c(C)c1)C(O)=C(C3)CC\2=N/NC(=O)Cc4cccc(c45)cccc5 -MOL_01_035405,Cc1ccc(cc1C)CN(C2=O)C(=C)c(c23)c(F)c4c(c3O)cccc4 -MOL_01_035406,O=C1N=CN=C(C1=2)C(=C(C2)C(F)(F)F)c3ccccc3 -MOL_01_035407,COc1cc(cc(OC)c1O)/C=C2\C/C(=N\c3ccccc3)N(C2=O)c4ccccc4 -MOL_01_035408,CCNC(=O)c1ccc(cc1)-c2nc(ccc2N)C3CCN(S(=O)(=O)C)CC3 -MOL_01_035409,O=C(O)c1ccc(cc1)/C=C2\C(=O)C(CN3C)=C(C=C23)c4ccc(C(=O)O)cc4 -MOL_01_035410,C1=NN=C(C1=2)N=C(N2)c3cc(ccc3C)NC(=O)c4cc(cc(C(F)(F)F)c4)N5CCOCC5 -MOL_01_035411,O=C(O1)C=C2C(CC)=CC(C=C3)(C(C)=C1C23CC)OCC(=O)Nc4cccnc4 -MOL_01_035412,c1ccccc1C2CC(=CC(=C23)N=NC3=O)c4ccc(F)cc4 -MOL_01_035413,COc(c12)c3c(cc1)C(=O)N4CCC(CC4)C(=O)NCc5c(/C=C/3)c(/C=C\2)c(C)cc5 -MOL_01_035414,c1cccc(c12)CC(C(=O)N2)NC(=O)c3cc(sn3)Cc4ccccc4 -MOL_01_035415,COc1ccc(cc1)C(C=2C#N)=NC(C23)=NC(N)=NC3=O -MOL_01_035416,CC(=O)NC(C1=O)C=C/C(N12)=C/c3ccc(cc3)CC(\C=N\2)NC(=O)c4ccccc4 -MOL_01_035417,c1cccnc1NC(=O)c2cccnc2N(O)C(c(cc34)c(cc3)cc4)c5ccccc5 -MOL_01_035418,COC(=O)C1=C(C)NC(C)=C(C12)C(=O)OC(C)(C)/C=C3\C=4C2=CC3=CC4F -MOL_01_035419,CCC(=O)NC(C(=C)N)Cc1ccc(c2c13)CCc4c5c3c5ccc4c2 -MOL_01_035420,N1=NC(C)=C2C(=O)N=c(c3=C12)ccc(C)c3 -MOL_01_035421,Clc1ccc(cc1)C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)cccc3 -MOL_01_035422,c1ccccc1C(CO)NC(=C)c2ccc(c(c23)O3)-c4cc(ccc4N)C5CCOCC5 -MOL_01_035423,C=C1C/C(C(=O)N1)=C\c2cc(O)ccc2OCc3ccccc3 -MOL_01_035424,CCOc1c(OC)cc(c2c13)c4c(cc3)cc5c(c4n(c2)N)cc(OC)n(c5)OC -MOL_01_035425,C1CCCc(n12)nc(O)c(c2=O)Cc3ccccc3O -MOL_01_035426,CC(C1)CCn(c12)c(=O)c3ccc4c5c(c(=O)c4c3)cc(c2O)cc5 -MOL_01_035427,COc1ccc(cc1OC)/C=C/C(=O)CC2SCC(C)Sc(c23)c(OC)c(cc3)OC -MOL_01_035428,COc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccc(Cl)cc3 -MOL_01_035429,CC(=O)NC(N=1)=c(c12)cc(cc2)-c3cnc(Cl)c(c3)NC(=O)c4ccccc4 -MOL_01_035430,c1cccc(c12)cccc2N(C(=S)N=3)C(=O)C(C34)=CN=N4 -MOL_01_035431,CCCNC(=O)C1CC(n2ccc(c2)C3CC3)CN1C(=O)CCCc4ccccc4 -MOL_01_035432,c1ccoc1-c2nnc(n2CC)CCC(=O)Nc3cccc(n3)C -MOL_01_035433,COc1cc(C(F)(F)F)ccc1-c2ncccc2CCNS(=O)(=O)N -MOL_01_035434,C=C1N(C)C(C)=Nc(n12)cc(n2)-c3ccc(N)cc3 -MOL_01_035435,COc1cccc(c1)COC23C=CC(C=C2)(CC3)Oc4ncnc(c45)cc(OC)c(c5)OC -MOL_01_035436,COCCNc(c1)ccc(c12)CNC(=O)C3c4c(OC3)ccc(c4)C(=C\2)\C -MOL_01_035437,CN1CCN(CC1)c2c(OC)cc(CC)c(c2)C(=O)/C=C/c3cccc(c34)cccn4 -MOL_01_035438,COC(=O)C(O)CC(OC(C)C)Cn1cc(nn1)Cn2ccc(c23)c(N)ncc3 -MOL_01_035439,CC(O1)OC(=O)c(c12)cc(O)c(c2O)OCc3cc(=O)sc(c34)ccc5c4cccc5 -MOL_01_035440,CS(=O)(=O)c1cc(C#N)ccc1CC2=C(CCC2=O)Nc3cccc(C(F)(F)F)c3 -MOL_01_035441,COCC1CCCN1CC(=O)Nc2cc(C)cc(c2O)C(=O)/C=C(\O)C(O)C(=O)C -MOL_01_035442,c1cc(O)cc(c12)C(CC)C(O)(CC2)CC(C(=O)C3)=Cc(cc34)ccc4 -MOL_01_035443,c1cccc(c12)S(O)=C3C(C2=O)=NN=N3 -MOL_01_035444,CCS(=O)(=O)C(C=C1)=C(C1=2)N=C(N2)c3ccc(cc3)-c4ccccc4F -MOL_01_035445,COc1ccc(cc1O)/C=C/c2cc(OC)c(C)c(c2)OO -MOL_01_035446,c1cn(Cl)cc(c12)cc(n2)C(=O)NCC(=O)N(CCO)Cc3cccs3 -MOL_01_035447,OC1CCN(CC1)CCNc(nc2)cc(c23)CCN3c4ccccc4 -MOL_01_035448,CC1=C(C=C1)C(C=C2)=C(C2=3)C=C(N3)Cc4nnc(o4)CC(=O)NC5(C#N)CC5 -MOL_01_035449,c1ccccc1CC(C(=O)OC)NC(CC(=O)NC)CN(C)C(=O)Nc2ccc(Cl)cc2 -MOL_01_035450,COc1ccccc1N(C23)CCN(C2)C4CCN(CC4)C(=O)COc5c(O3)c(C)ccc5 -MOL_01_035451,Oc1cc(O)cc(c12)scc(c2=O)C3=CCCC(O)C3O -MOL_01_035452,CN1C(=O)OCC1CC(C=C2)=C(C2=3)C(=CN3)C4=CCN(CC4)Cc5ccccc5 -MOL_01_035453,Nc1cccc(c1)NC(=O)C(C=2)=CC(C23)=c4c(=NC3=O)cccc4 -MOL_01_035454,c1ccnc(c12)c3c2ccc(c3)NC(=O)CCCCN4CCOCC4 -MOL_01_035455,Cc(c1)c(C)cc(c12)N(O)C(C#N)=C(N2O)c3ccc(F)cc3 -MOL_01_035456,C1=CC2=C(C=C3)C=C1C23C(C)NC(=O)COC(=O)/C(c4cccs4)=C/c5cccs5 -MOL_01_035457,CC12C=C(C)C(C=C1)(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)c(n4)ccc(c45)cccc5 -MOL_01_035458,CC(C)CN1C(=O)CCC1c2cnccc2-c3ccc(C4(O)OO4)cc3 -MOL_01_035459,C=CCN(C1=O)CCC(=C12)N(O)c3c(N2O)cccc3 -MOL_01_035460,Cc1ccc(cc1)C(=C)c(c2)ccc(c23)N(CCO)C=C(C3=C)C(=O)O -MOL_01_035461,CCOC(=O)C(N1O)=C(C(F)(F)F)N(O)c(c12)ccc(c2)OC -MOL_01_035462,Oc1cc(O)c(cc1C)C(=O)N(Cc(c23)cccc3)C(C2)C(=O)CC4CCCCC4 -MOL_01_035463,c1ccccc1C(c2ccsc2)NC(=O)C(CCN34)/C(C3)=C(\Cl)/C=C\c5c(C4)cccc5 -MOL_01_035464,CCOC(=O)C(N1O)=C(C(F)(F)F)N(O)c(c12)ccc(c2)C(F)(F)F -MOL_01_035465,COc(c1)ccc(c12)nc3c(c2)C=NN=C(C3)Nc4ccc(C)cc4C -MOL_01_035466,COC(=O)c1ccccc1C(CN=C2)C23Cc4c(C3=O)c(C)c(C)cc4 -MOL_01_035467,COc(c12)cc3c(c1)c(c(cc3)OC)/C=C4\CN(C2=O)CCO4 -MOL_01_035468,FC(F)(F)c(cc1)cc(c12)nc(C)n2CCNC3=CC(=N3)c4ccc(F)cc4 -MOL_01_035469,C=12\c3ccc(cc3)CC(CC(=O)/C1C#N)C(=O)NC(C(=O)O)Cc4cccc2c4 -MOL_01_035470,CCNC(=O)Cn(c1=O)ccc(c12)c3c(cccc3)n2Cc4ccccc4 -MOL_01_035471,Cc1ccc(c(Cl)c1)-n2cc(C)nc2CCC(=O)Nc3ccccc3Cl -MOL_01_035472,OCCOCn(cn1)c(c12)nc(cc2N)NCCc3ccc(cc3)CCC(=O)O -MOL_01_035473,CCOc(c(O)c1)cc(c12)ncc(C(=O)N)c2Oc3ccc(F)cc3F -MOL_01_035474,Cc(c1)c(C)cc(c12)nc3c2csc4c3cccc4 -MOL_01_035475,COc1ccc(cc1Cl)NS(=O)(=O)c(c(C)c2)cc(c2=3)=NC(=O)C(N3)=O -MOL_01_035476,Cc1ccc(nc1)-c2ccc(F)c(c2)C(=O)NCCc3ccccc3N -MOL_01_035477,Nc1ccc(cc1)/C=C/c2c(ncnc2C)N(CC3)CCC3(O)C4CCCCC4 -MOL_01_035478,Cn1ncc(c12)C=3N(C(=N2)N)C=CN(C3)Cc(c4)ccc(c45)cccc5 -MOL_01_035479,Cc1ccnc(c12)[nH]c(=O)c3ccc(o2)c(c3)S(=O)(=O)NCc4ccccc4 -MOL_01_035480,O=C(N=1)N=c(c12)nccc2Oc3ccc(cc3)NS(=O)(=O)c4ccccc4F -MOL_01_035481,CNCCC(O)C#Cc1cccc(c1)-n2nc(C(=O)N)c(Cl)c2C(F)F -MOL_01_035482,Cc1noc(C)c1CNCc2c(C(C)C)cn(C)c2N3CCOCC3 -MOL_01_035483,N=C(N)C(C=C1)=C(C1=2)N=C(N2)c3ccc(cc3)OCc4cnn(c4)Cc5ccccc5 -MOL_01_035484,Oc1nncnc1C(OCC)CCNC(=O)C2CCCN2C(=O)C(=O)C(C)(C)C -MOL_01_035485,Clc1ccc(cc1)N2CC(CC2=O)c3nc(ns3)-c4cccc(F)c4 -MOL_01_035486,CCN(CC)CC(NN1)COc(cc2)cc(c2C(=O)c(c3)ccc4c13)\C=C\N(C4)Cc5ccccc5 -MOL_01_035487,CCCNC1=C(C=N1)n2cccc2C(=O)NCc3ccccc3OCC -MOL_01_035488,CC(C)CCNC(=O)c(c1)ccc(c12)N(O)CC(=O)N2Cc3ccccc3 -MOL_01_035489,COc1ccc(cc1)-c2ccc(s2)C(=S)N3CCN(C(=O)C)CC3 -MOL_01_035490,COc1cc(OC)c(cn1)C2(O)CCN(CC2)Cc3cccc(F)c3F -MOL_01_035491,c1cccc(c12)c(cc(n2)NCC)N3CC(=O)Nc(c34)cc(cc4)OC -MOL_01_035492,Cc1ccc(cc1)C(N2N)=C(C#N)N(N)c(c23)cc(Cl)c(Cl)c3 -MOL_01_035493,COc1ccc(cc1OC)/C(N)=N/OC(=O)C2(C(C345)=CC(=N3)O)CC(C4)CC(C5)C2 -MOL_01_035494,c1ccccc1C(=N2)C(C#N)=C(C2=3)C(=O)N=C(N3)N -MOL_01_035495,N/C=N/C(CF)c1cc(cc(F)c1F)NC(=O)c2ccc(cn2)C#CC3CC3 -MOL_01_035496,O=C1N=CN=C(C1=2)C(=C(C2)C(Cl)(Cl)Cl)c3ccccc3 -MOL_01_035497,Oc1cccc(c1)Nc2nc(NCCc3ccncc3)ncc2-c4nnc(s4)C5CC5 -MOL_01_035498,CCc1cccc(C)c1NC(=O)Cn2c(NCCO)cc(c23)cccc3 -MOL_01_035499,CC(C)NC(=O)C(C=1)=CC(C12)=NN=C2NC(=O)c3ccc(cc3)N4CCOCC4 -MOL_01_035500,COc1c(OC)c(OC)cc(c12)c3c(c(c2)C(=C3)C(=O)OCC)-c4ccc(OC)cc4 -MOL_01_035501,COc1ccc(cc1)CNC(=O)C(N2O)=C(C)N(O)c(c23)cc(F)c(F)c3 -MOL_01_035502,CCC(CC)C(=O)CC1OCc(c12)cc(OO)c(n2)OO -MOL_01_035503,COc1ccccc1C(=O)N2C(=C)N(C(=C2)C)c3cccc(c3)OC -MOL_01_035504,CCOC(=O)NCCN(C)C(=O)c(c1)ccc(c12)c(=O)n3c(c2)CCCCC3 -MOL_01_035505,COc1ccc(cc1OC)C(N2O)=C(N)N(O)c(c23)cccc3 -MOL_01_035506,CCC(C)C(C(=O)NN1)OC(=O)c(cccc2)c2NC(=O)c(c3)occ13 -MOL_01_035507,CCCCCOC(C12OC)=CC(C=C1)(CC2)/C=C/C(=O)c3cc(OC)c(OC)c(c3)OC -MOL_01_035508,COC(=O)OCCOCn1cnc(c12)c(cc(n2)N)NC3CCC3 -MOL_01_035509,COC(=O)N(C1)CCc(c12)sc(n2)-c3ccccn3 -MOL_01_035510,Cc1ccc(cc1)C2=NN(C3=NC(=O)CC3)C(C2)c4ccccc4 -MOL_01_035511,C=Cc1cc(O)cc(c12)nc(s2)-c3ccc(O)c(F)c3F -MOL_01_035512,CC(N=1)=NC(=O)C(C12)=CC(=N2)c3ccnc(c3)/C=C/c4ccccc4 -MOL_01_035513,Cc1noc(C)c1C(=O)N(CCC234)/C(C2)=C/c5c(CN(CC3)CC4)cccc5 -MOL_01_035514,O=CC1=CN=c(c12)c=3c(cc2)c4c(N3)cccc4 -MOL_01_035515,COc1ccc(cc1)C(=O)NCCSCC(=O)C(N2O)=C(C)N(O)c(c23)cccc3 -MOL_01_035516,C\12=C\C=C(\C)OC(=O)N(C1)CC(CN3CCCC3)N2C(=O)Cc4ccc(Cl)c(Cl)c4 -MOL_01_035517,O=C(N)N1CCCc(c12)cc(cc2)-c3cccc(c3)-c4ccc(cc4)C(=O)N5CCOCC5 -MOL_01_035518,c1cccc(O2)c1C(c(c23)cc(C)nn3)CCONC(CO)NO -MOL_01_035519,CN(C)C(=O)C(=CC1)CCC12Cc3c(C2N=C(N)N)cc(cc3)-c4cccc(c4)CN -MOL_01_035520,N1=NC=c(c12)c3c(C)c(c2)c(cc3)C(=O)NC(CC(=O)NCC(C)(C)O)c4ccccc4 -MOL_01_035521,Cc1cccc(n1)N2CCN(CC2)Cc3nc(sc3C)-c4ccccc4Cl -MOL_01_035522,N=1C=Nc(c12)c3c(cc2)=NC(=C3)C(=O)N4CCC(CC4)Cc5ccccc5 -MOL_01_035523,COc1c(OC)c(CC)c(CCN(C)C)c(c12)SSOOO2 -MOL_01_035524,COc1ccc(cc1)C(C2=C(C)N=NC2=O)C3C(=O)NC(=O)NC3=O -MOL_01_035525,c1cccc(c1=2)=C(C2)C(=O)Nc(c3)ccc(c34)nn(n4)-c5ccccc5 -MOL_01_035526,COc1ccccc1C(=O)/C=C/CC(O)Cn2cnc(c2)-c3ccccc3O -MOL_01_035527,CCOC(=O)C(N1O)=C(C(F)(F)F)N(O)c(c12)cc(C)c(c2)C -MOL_01_035528,Cc(n1)cc(C)n(c12)nc(n2)CCC(=O)Nc3cccc(C(F)(F)F)c3 -MOL_01_035529,CC(C)N(CC1)CCC1Nc(c(c23)cc(OC)c(O)c2)nc(c3)C4CCCCC4 -MOL_01_035530,O=C(C)C(N1O)=C(C(F)(F)F)N(O)c(c12)cc(N3CCCCC3)c(c2)N4CCCCC4 -MOL_01_035531,Cc1ccc(C)c(c1)CCC(=O)Nc2cccnc2N -MOL_01_035532,CN(C)CCNn1nnc(n1)-c(ccc(c23)oo3)c2Nc4ccc(O)cc4F -MOL_01_035533,CCc1ccnc(c12)ccc(c2)OC(=O)N3CCC(CC3)N4CCCCC4 -MOL_01_035534,c1ncc(c2c13)/C=C\C(=O)N\C(=C2\3)CCCNCCNC(c4ccccc4)c5ccccc5 -MOL_01_035535,COc(c1)ccc(c12)\C=C\C(=O)NCC(=O)N\N=C\c3c2nccc3 -MOL_01_035536,COC(=O)N1CCCCC1c2cc(ns2)C(=O)N3CCOCC3 -MOL_01_035537,Clc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccc(O)cc3 -MOL_01_035538,c1ccccc1CC2N(CCN3C)C(=O)CC(N)Cc(cc4\C=C\23)c(F)cc4 -MOL_01_035539,c12c(c1)c(C)cc2S(=O)(=O)NCCC(=O)OCC(=O)Nc3cc(c34)c(c4)C#N -MOL_01_035540,COC12C(=C1)C=C(C=C2)S(=O)(=O)N(CC(=O)NO)C34CC5CC(C3)CC(C5)C4 -MOL_01_035541,Nc1cccc(c1)C(=O)/C=c(c23)\oc(c2)c4c(c3)S(O)OC4 -MOL_01_035542,CN1C(N)=CC(CC1=O)c(c2)c(OC)cc(c23)Cc4c3cccc4 -MOL_01_035543,CCC(C1=O)=C=C2C=C(C3=C12)N(CCC3)CCc4ccc(cc4)OCCN5CCOCC5 -MOL_01_035544,c1cccc(c12)c(cc(n2)C)NC(=O)Nc(c3)ccc(c34)nc(s4)C -MOL_01_035545,CCCCNc1ccccc1C(C(=O)C(=O)O)c2ccccc2C(=O)O -MOL_01_035546,c12ccc(CC1)n2CCCOc3nc(C)c(cc3)S(=O)(=O)NC(=O)Nc4ccccc4 -MOL_01_035547,Fc1ccc(cc1)OC(=O)N(CC)CCNC(=O)C2CCN(CC2)c3ccc(C(F)(F)F)cn3 -MOL_01_035548,COCC(=O)NCCn1nc(ccc1=O)-c2cc(C)sc2C -MOL_01_035549,CCOC(=O)NCCNC(=O)c(c1)ccc(c12)c(cc(n2)CC)CCC(=O)O -MOL_01_035550,OC(=N1)N(C)C(=O)C1(CCC)c2cccc(c2)CCCOC -MOL_01_035551,Fc1c(F)cccc1C(CNC)CCCNC(=O)c(c2)ccc(c23)CC(C3)C=O -MOL_01_035552,C1CC(C2)=CC(C)=C(C123)C(=O)N(C(=O)C3)OCCCN4CCN(CC4)c5cccc(N)c5 -MOL_01_035553,CCOC(=O)c1cnc(nc1N)CC2CC(=O)N(C2=O)c3ccccc3 -MOL_01_035554,c1ccccc1CC(C(=O)OC)NC(=O)OCCN(C)c2cc(=O)oc(c23)cccc3 -MOL_01_035555,c1ccccc1CC(C(=O)OC)NC(=O)CC/C(C)=C/Cc2cc(C)ccc2O -MOL_01_035556,N1=NC(N)=C(C1=2)C(=O)N=C(C2)c3cccs3 -MOL_01_035557,Cc1ccccc1OCC(O)CN(CC2)CCC23C=4C5(CO3)C(=CC4)C=CC=C5 -MOL_01_035558,OCCOc1ncc(cc1O)/C=C/c2ccc(O)cc2 -MOL_01_035559,O=C(O)c(c1)c(C)nc(c12)sc3c(c2=O)cccc3 -MOL_01_035560,Cc(c1)ccc(c12)ccc(n2)Nc3ccc(cc3)S(=O)(=O)NCCN4CCCC4 -MOL_01_035561,COC(=O)/C=C/c1c(OC)cc(OC)c(OC)c1Cc2ccc(OC)c(c2)OC -MOL_01_035562,Clc1ccccc1-c(cc2=O)sc(c23)c(ccc3O)N4CCOCC4 -MOL_01_035563,Clc(c1)ccc(c12)N(O)C(=C(C#N)N2O)NC(=O)CCCCl -MOL_01_035564,C123C4=CC=C(C2=C3)N(CCC)C(=O)C5C/C(=C/1)N(C(=O)C)/C(C5)=C(/C)\C=C\4 -MOL_01_035565,CNC(=O)c(nc1)cc(c12)oc3c2cc(cc3)-c4noc(n4)COC -MOL_01_035566,c1cnccc1C2=C(C=CC2=O)c3ccc(cc3)OCc(n4)ccc(c45)cccc5 -MOL_01_035567,c1cccnc1CCN(C)c2nc(-c3ccncc3)ncc2CNC(=O)N -MOL_01_035568,Cc1ccc(nn1)NC2CCCCC2CC(N=3)=NC(=O)C(C34)=NN=C4C(C)C -MOL_01_035569,CCOc1ccccc1CNC(CC(C=O)C(=O)OC)c2ccc(OC)cc2 -MOL_01_035570,Cc1oc(c2c13)c3cc(c2)OCCCC(=O)Nc4cc(N)ccc4-n5cncn5 -MOL_01_035571,C1CCCCC1C(=C)Cc(c2=C)cc(C(O)O)c(c2=3)C=CC3C(O)(O)O -MOL_01_035572,c1ccccc1/C(C)=N/C(C(=O)NC)NC(=O)C(NC(=O)OC(C)(C)C)Cc2ccccc2 -MOL_01_035573,c12cc3c4c(nn3)ccc(c4)c5onc(n5)c6ccc(cc6)oc(c1)ccc2 -MOL_01_035574,CCN(CC)C(N1O)=NN(O)c(c12)cc3c(c2)CC(C3)N(C)C -MOL_01_035575,CC12c3ccc(c(Cl)c3)C(=O)NCCC(=O)N(C1)CCC2 -MOL_01_035576,CC(=O)NCCNc1c(c(C)nn1C)/C=N/Nc(c(n2)O)nc(c23)cccc3 -MOL_01_035577,CCOc1cnn(c(=O)c1N)-c2cc(ccn2)Oc3ccc(C)cc3 -MOL_01_035578,CCOc1cc(ccc1O)/C=c2\sc(=C)n(c2=O)NC(=O)c3ccccc3O -MOL_01_035579,Nc(c12)c([nH][nH]1)cc(c2O)C(=O)NC(C)c3ccc(cc3)-n4ccnc4 -MOL_01_035580,C#CCN(C1=O)C(=O)N=C(C1=2)N=C(N2)/C=C/c3ccccc3 -MOL_01_035581,CCC(CC)c1nn(CCO)cc1/N=C(/C)c2ccc(cc2)-n3ccnc3C -MOL_01_035582,O=C(O)Cc1c(CC)n(nc1CC)CC23C=CC(C=C2)(C=C3)NC(=O)c4ccc(C)cc4 -MOL_01_035583,C1=CC=C1/N=C2/OC(C(=O)N2CCOC)CC(=O)Nc3ccc(C(=O)O)cc3 -MOL_01_035584,COC1=C(C=C1)C(=O)Nc2cccc(O)c2NC(=O)c3ccc(cc3)N4CCCN(C)CC4 -MOL_01_035585,CCNC(=O)CC(NC(CC(C)C)C(=O)OC)c1ccc(c(c1)OC)-c2ccccc2 -MOL_01_035586,C1=CC=C1C(=O)Oc(c2)ccc(c23)c4c(c(s3)=O)CCCC4 -MOL_01_035587,COc1cccc(c12)C(CC(=O)N)c3c(CN2)cccc3 -MOL_01_035588,O=S1(=O)CCC(CC1)C(=O)N2CCN(c3cccnc3)CC2C4=CC=C4 -MOL_01_035589,Oc1ccc(cc1)CC(=O)COn(nc2)cc(c23)c4c(c3)OOCO4 -MOL_01_035590,c1ccccc1N(C(=S)N=2)C(=O)C(C23)=CN=N3 -MOL_01_035591,O=C(N=1)N=c(c12)nccc2Oc3ccc(cc3)NS(=O)(=O)c4ccc(F)cc4 -MOL_01_035592,C1CCOC1Cn2nncc2C(CCC)NCCN(C)c3cc(Cl)ccc3C -MOL_01_035593,COc1ccc(cc1)-c(o2)cc(c23)c(ncc3)NC(=O)C4CCCC4 -MOL_01_035594,COC12C(=C1)C=C(C=C2)/C=C(\c3ccc(F)cc3)C(=O)N4CCN(CC4)c5ncccn5 -MOL_01_035595,CC1CCCCC1N(CC2)CCC23C(=N)NCN3c4ccccc4 -MOL_01_035596,COc1cc(ccc1N)C(=O)NC2CCCN(C2)C(=O)NCc3ccccc3 -MOL_01_035597,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CSCCNC(=O)c3ccncc3 -MOL_01_035598,Fc1ccc(cc1)/C=C/C(=O)Nc(c2)ccc(c2/C=C\C34O)CCC(=O)N(C3)CC4O -MOL_01_035599,C=CCOc1ccc(cc1OC)/C=C2/CC(N)=NC2=O -MOL_01_035600,Fc1ccccc1C(=O)NC(C=C2)=CC(=C3)C23C(=O)N/N=C/c4ccccn4 -MOL_01_035601,Cc1nc(C2(C)C=C2)ccc1C(=O)Nc3ccc(N)c(c3)-c4ccncc4 -MOL_01_035602,OC12CC3CC(C2)C(C(C3)C1)NC(=O)c4ccc(cc4C5CC5)N6CCOCC6 -MOL_01_035603,CCNC(=O)c1ccc(nc1)OCc2c(nsc2C)-c3ccccc3 -MOL_01_035604,CN(C)CCOc1ccc(cc1)C2=C(c3ccncc3)C(=N2)c(c4)ccc(c45)cc(O)cc5 -MOL_01_035605,OCC(C)Nc1nc(nc(c1=2)=NC(N2)=O)SCc3ccccc3 -MOL_01_035606,COc1ccccc1/C=C2\OC(=O)C=C2CNC3C/C=C\c(c4)ccc5c4C35 -MOL_01_035607,CCS(=O)(=O)Oc(c1)ccc(c12)c3c(c(s2)=O)CCCCC3 -MOL_01_035608,COc1cccc(c1)C(=O)NCC2(CNC(=O)N2)/C=C/c3ccc(cc3)C(N=O)N4CCOCC4 -MOL_01_035609,COC(=O)C1=C(C)OC(C)=C(C(=O)OC)C1C23C=CC(C=C2)=CC3(Cl)O -MOL_01_035610,CC(O)C(CO)OCNn(c1=O)c(cc(c12)cccc2)-c3ccccc3Cl -MOL_01_035611,Cc1ccc(cc1)CC(=O)Nc2ccc(c(c23)C3)Oc4ccnc(c4)NC(=O)C5CC5 -MOL_01_035612,C1=C(O2)C12c3cc(ccc3)C(=O)C4CCCN(C4)C(=O)CCCn5cncn5 -MOL_01_035613,C=CCC(N1O)=C(C(=O)OC)N(O)c(c12)cc(C)c(c2)C -MOL_01_035614,c1ccccc1-c2nn(S(=O)(=O)CC)c(n2)CCc3ccccc3 -MOL_01_035615,CCCNC(=O)c1ccccc1NC(=O)c(c2)ccc(c23)CC(C)C(=O)N3 -MOL_01_035616,c1ccncc1N(C(=N2)S)S(O)c(c23)cccc3 -MOL_01_035617,CC1CCN(CC1)c(n2)ncc(c23)C(=O)C(C3)Cc4cccc(O)c4 -MOL_01_035618,O=C(N=1)N=c(c12)cccc2Oc3ccc(cc3)NC(=O)c4cc(F)cc(c4)N5CCOCC5 -MOL_01_035619,Cc1nsc(n1)C2(C)CCCN(C2)C(=O)c3cccnc3 -MOL_01_035620,CC(C1)N=C(N12)CC(=C2C)C(=O)Nc3c(C)cc(C)cc3C -MOL_01_035621,C1CCc(c12)cc3c(c2)N(O)C(=NN3O)NCCCN4CCOCC4 -MOL_01_035622,COc1ccc(cc1)/C=C/C2=CC=C(C2=3)C(=O)C=C(N3)N4CCOCC4 -MOL_01_035623,O=C1N=NC(=C12)CCC(C2)(C(=O)OCC)NC(=O)OC(C)(C)C -MOL_01_035624,COc1ccc(OC)c(c1)C(=O)/C=C/C(CC=C(C)C)Oc2cccnc2 -MOL_01_035625,C1=NC(C)=c(c12)c=3c(cc2)C=C(C3)NC(=O)CCc4ccccc4 -MOL_01_035626,Oc1cc(O)cc(c1)/C=C/c2ccc(S(O)O)cc2Cl -MOL_01_035627,CNC(=O)c1cc(cnc1O)-c2cccc(c2)-c3ccn(c3)CCO -MOL_01_035628,O=C1NCCCN1C(C(=O)NC)CCNCCC(C)CN(C)C(=O)c2cccc(c23)cccc3 -MOL_01_035629,CNCc1ccc(=O)n(c1)-c2cc(F)c(cc2OC)-c3cccc(C(F)(F)F)c3 -MOL_01_035630,Cc1nsc(c1C)NS(=O)(=O)c2ccccc2-c3ccccn3 -MOL_01_035631,CC(C)(O)CC(C)(O)CC(=C)Cc1ccccc1OCc2ccc(O)cc2 -MOL_01_035632,c1cccc(c12)C(=C)N(C2=O)CCOC(=O)/C=C(\C)/N=C(\C)/C=C(\O)OCC -MOL_01_035633,C=C(O)CNC(=O)CN(S(=O)(=O)c(ccc12)c(c1)C=C2)CCc3ccccc3 -MOL_01_035634,CC(=O)Cc1cc(C(N)(N)O)ccc1OCC2CCCO2 -MOL_01_035635,Cc(c1)ccc(c12)Cn3c(=O)c(ccc3)NC(=O)NCc4c(\C=C\2C)cccc4 -MOL_01_035636,COC(=O)CNC(=O)c1c(NO)cc(sc1=O)-c2ccc(Cl)cc2 -MOL_01_035637,n1ccsc1C(=O)NC(CC)c2ccc(c(Cl)c2)Nc3ccc(C)nc3 -MOL_01_035638,C1C(C2)CC(C3)CC1CC23C(CC)NS(=O)(=O)c4c(C)cc(O)nc4O -MOL_01_035639,CON1C=CC(O)=C(N12)C(C)(C)C=CC2=O -MOL_01_035640,COC(=O)C(=C(CC)N1O)N(O)c(c12)cc(cc2)OC -MOL_01_035641,COC(=O)C1CCCN1C(CC(=O)N(C)C=O)c2ccc(cc2)SC3CCCCC3 -MOL_01_035642,COc1cc(F)ccc1Oc2cc(C(F)(F)F)ccc2C(=O)NC3=CC=NC3=O -MOL_01_035643,COc1ccc(cc1)C(=O)NC(C=2)=Nc(c23)ccc4c3=CC(=N4)SC -MOL_01_035644,c1ccccc1-c2c(C)n(sc2=O)C(=O)N3CCCCC3 -MOL_01_035645,CC(=O)C12C(=C1)C=C(C=C2)NC(=O)CCCCCn(c3=O)nnc(c34)cccc4 -MOL_01_035646,c1cccc(n12)cc(C)c2CCCOC3CC(CN3)c4ccc(N)nc4 -MOL_01_035647,CNCCNc1nccc(c12)ccc(c2)NC(=O)/C/3=C/C=C\C=N/N=C\3 -MOL_01_035648,Cc1nsc(n1)C(CC2)OC23CCN(CC3)C(=O)c4ccn(n4)C -MOL_01_035649,S=C(N=1)N=c(c12)cccc2OCCN3CCN(CC3)c4cccc(c45)nccn5 -MOL_01_035650,CC(=O)NCCc1cc(nn1CC)Nc2cccc(c2)-c3ccnn3C -MOL_01_035651,COc1c(OC)cc(cc1OC)C2=NC(=O)N=C2C(=O)Nc3ccc(Cl)cc3 -MOL_01_035652,c1cccc(c12)C(=O)C(C)(O)C(=N2)COc3cccc(c3)OCCCC(F)(F)F -MOL_01_035653,COCc1cc(C)nc(c1CO)CCC(=O)Nc2ccccc2N3CCOCC3 -MOL_01_035654,c12ccc(oo1)cc2/C(CCC)=N\N=C(/N)CC(O)c3cccc(c34)c5cc(c4)C=C5 -MOL_01_035655,COc1ccc(cc1OO)C2OCCC2/C(O)=C/c3c(C)cccc3C -MOL_01_035656,CC(=O)n(c1C)nc(c12)sc(=O)cc2C -MOL_01_035657,COc1ccccc1NC(=O)c2cnc(n2C)SCC(=O)NCC3CCCO3 -MOL_01_035658,s1c(=O)ccc(c12)c(OC)cc(OC)c2C(=O)C=C(C)C -MOL_01_035659,Cc1ccccc1C(C=2)=CC(C23)=NC(=NC3=O)NC(C)(C)C -MOL_01_035660,C1OCC12CN(C2)c3cc(OC)c(c(n3)OC)NC(=O)CC(C)(C)C -MOL_01_035661,COc1cccc(c1O)C(=O)N2CCN=C2CCc3cccnc3 -MOL_01_035662,Cc(c1)c(C)cc(c12)N(O)C(C#N)=C(N2O)NCCCN(C)C -MOL_01_035663,Clc(c1)ccc(c12)N(O)C(=C(C#N)N2O)NCCCN3CCOCC3 -MOL_01_035664,CN(C1)CC/C(C\1=2)=N/NC(=O)CN(S(=O)(=O)\C=C/C2)c3ccc(cc3)Oc4ccccc4 -MOL_01_035665,COc1ccc(cc1C(C)(O)O)C(=O)Cc(c2)ccc(c23)OCC(C3)C -MOL_01_035666,C1CC12C=C(OC)CC(C(=O)N2)NC(=O)C3CCN(CC3)S(=O)(=O)c4ccccc4 -MOL_01_035667,Cc1ccc(c(n1)C)-c2ccnc(n2)NC(C)C3=NC(=O)N=N3 -MOL_01_035668,COC(CC1)CCC12Cc3c(C2/N=C(/N)NC(C)C)cc(cc3)-c4cccc(c4)CN -MOL_01_035669,COc1ccc(OC)c(c12)/C=C3\CCC(C)N(C3C)C(=O)COC(=O)/C=C\2 -MOL_01_035670,c1ccncc1CNC(=N2)N=C(C(C2=3)C=CC3)C(=O)NC4CCCCC4 -MOL_01_035671,CCNCc1ccc(NCCNC(=O)C)nc1N(C)Cc(nc2)cc(c23)cccc3 -MOL_01_035672,Clc(c1)c(Cl)cc(c12)N(O)C(=C(C)N2O)C(=O)NCCc3ccccc3 -MOL_01_035673,CN(C)CCNc(c1C=O)cc(c(c12)noc2)N3CCCCC3 -MOL_01_035674,O=S1(=O)CCC(CC1)C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2C4=CC=C4 -MOL_01_035675,COC1=C(C=C1)C(C2CC2)NC(=O)NCc3ccc(n34)CCC4 -MOL_01_035676,c1cc(Cl)cc(c12)N(O)C(=C(C)N2O)C(=O)NCc3ccc(Cl)cc3 -MOL_01_035677,Cc1nc(cc(c1)C)NC(=C)N2CCC(CC2)Nc3cccc(c3)C45N(C4)N5 -MOL_01_035678,c1cccc(c12)cc(OCCCN)c(c2)C3=C(C=C3)S(=O)(=O)NCc4ccccc4 -MOL_01_035679,CCC(N1O)=NN(O)c(c12)cc3c(c2)CC(C3)CCO -MOL_01_035680,CCOc(c12)c(cco1)c(cc2)CN3CCN(CC3)C(=O)c4cccc(c45)cccc5 -MOL_01_035681,CCOC(=O)C(C=1)=c(c12)ccc(c2)N3CCN(CC3)C(=O)CCc4ccc(F)cc4 -MOL_01_035682,CCOC(=O)c(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)OC -MOL_01_035683,Cc1nn(C)c(C)c1C2CCCN2CCCc(s3)nc(c34)cccc4 -MOL_01_035684,c1cccc(c12)C(=O)C=C2OCC(O)CN3CCN(CC3)c4cccc(C(F)(F)F)c4 -MOL_01_035685,CCOc1ccc(cc1)CCNC(=O)c2c(C)nn(c2F)-c3ccccc3 -MOL_01_035686,CCNC(=O)CC(NC(C(=O)O)CC(C)C)c1ccc(c(c1)OC)-c2ccccc2 -MOL_01_035687,OOc1c(OO)cccc1C(=O)Nc2cccc(c2)C(C=3)=CC(C34)=CC=C4 -MOL_01_035688,O=S1(=O)CCC(CC1)C(=O)N2CCN(CC2)c3ccc(C(F)(F)F)cn3 -MOL_01_035689,Cc1ccccc1C(=O)NCCC2=CN=C(C23O)C=CC=C3 -MOL_01_035690,C/C=C(\C1(C)C)C(=CC(=O)O1)C2(CO2)CCC(C)C(=O)OCOCC -MOL_01_035691,Cc1ccc(C)c(c1)C(=O)Cn2c(NCCO)cc(c23)cccc3 -MOL_01_035692,COCCOC1=NN=C(C1=2)C=C(N2)NC(=O)NC(C)c3ccc(OC)cc3 -MOL_01_035693,O=C(O)CNC(=O)/C=C/c1ccc(cc1)OCc(cc(c23)cccc3)n(c2=O)-c4ccc(F)cc4 -MOL_01_035694,COc1ccccc1Nc2cc(ccn2)-c3ccc(C(=O)N)c(c3)C(C)C -MOL_01_035695,C=C(N)c1cccc(c1)C(N=2)=CC(C23)=c4c(=C3)cncc4 -MOL_01_035696,O=C(O)c1cccn(c12)c(O)c(c2)-c3ccccc3 -MOL_01_035697,c12ccc(C(=N)N)c(c1)/C=C/C=C(/C(=O)O)N3CCc4c(C3)ccc(c4)OC2 -MOL_01_035698,C1CNCCN1c(c(c23)ccnc3)cc(c2)-c4ccnc(c4)NC5CCOCC5 -MOL_01_035699,Cc1ccc(C(=O)N)cc1N/C/2=C(\C)/C(=C\N=N/C=N\2)C(=O)c3ccccc3 -MOL_01_035700,N/C=N/C(C(F)F)(CC)c1cc(ccc1F)NC(=O)CC2CCCCC2 -MOL_01_035701,OCC1(C)CCCC1Cc2c(C(=O)N)cnn(c23)ccc3 -MOL_01_035702,C=C1N(C)OCC(=O)N1c2cc(N)ccc2C -MOL_01_035703,CCCC(C)Nc1cncc(c1)-c2ccc(c(c2)OC)OCCCCN3CCOCC3 -MOL_01_035704,CN(C)CC(=O)NCCCC(=O)Nc1nccc(n1)/C(C#N)=C2\CC=C(N2)C(C)(C)C -MOL_01_035705,Cc1nc(cs1)C#Cc2cnc(nc2)-n3ccc(c34)ccnc4 -MOL_01_035706,OCCCCCCNC(=O)c1cc(n(n1)NCCO)-c2ccc(O)cc2 -MOL_01_035707,Clc(c1)ccc(c12)C=C(N[N+]2([O-])NCC)c3ccccc3 -MOL_01_035708,COc1ccc(cc1)/C=C/C(=O)C(C(=O)N)=C2CCCC2 -MOL_01_035709,CC(C)c1cc(nn1C)Nc2nc(cc(c23)cccc3)NCCC4CCOCC4 -MOL_01_035710,Cc1ccccc1OC2=CN(C(=C)O)N(O)C(=C2)/C=C/c3ccc(O)cc3C -MOL_01_035711,CCC(=O)C(O)/C(O)=C/C(=O)c1cc(C)nc(c1O)NCCCN(C)C -MOL_01_035712,Cc1cccc(n1)/C=C2\OC(=O)N(C2=O)Cc3ccccc3C -MOL_01_035713,Clc1ccc(cc1)NCC(=O)NC(C=2)=Nc(c23)ccc4c3=CN=N4 -MOL_01_035714,OOc1c(OC)cc(cc1OO)C(=C)CCCOc2cc(O)cc(O)c2 -MOL_01_035715,c1ccccc1-c2coc(C)c2C(=O)OCc3ncc(o3)-c4ccccc4 -MOL_01_035716,c1ccccc1Cn2nc(C)c(c2N)C(=O)NC3CCCCCC3 -MOL_01_035717,C1COCCC1C(=O)Nc2c(F)ccn2Cc(cc34)c(cc3)nc4 -MOL_01_035718,COCC(=O)NCCC(=C)NC(Cc(c1)ccc2c1/C23)C(=O)/C=3CCCC -MOL_01_035719,COC(=O)c1c(O)cc(O)c(N)c1CCC(=O)NCCc2ccccc2 -MOL_01_035720,Fc1cc(cc(F)c1)CN(C(=O)C(=O)OCC)c2cccc(c2)N(C)CC(C)C -MOL_01_035721,NC(=O)c1c(F)ccc(c1F)OCc2cc(ns2)-c3cccs3 -MOL_01_035722,COC12C(=C1)C(OC)=CC(=C2)COc(c3)ccc(c34)ccc(o4)=O -MOL_01_035723,Nc(c1)c(N)cc(c12)N(O)C(=C(C)N2O)C(=O)NCCc3ccccc3 -MOL_01_035724,c1csc(c12)c(CC(C)N)c3c(c2C)cco3 -MOL_01_035725,c12ccc(O)c(c1)OCC(O)\C=C\C(CC2)CN(C)C/C=C/c3ccccc3 -MOL_01_035726,C1CCCCN1c2nc(C)c(C)c(c2C)Oc3cccc(O)c3 -MOL_01_035727,Cc1ncccc1C(=O)NCCCCC(=O)c2cccc(c23)cccc3 -MOL_01_035728,CC(O)c1cccc(c12)NC(=O)CCCc3c(\C=C\C=C\2)cccc3 -MOL_01_035729,CCN(CC)CCNC(N1O)=C(C#N)N(O)c(c12)cc(C)cc2 -MOL_01_035730,CS(=O)(=O)Nc(c1)ccc(c12)c3n(nc(c3)C(F)F)c4c2c(F)c(F)cc4 -MOL_01_035731,COc1ccc(cc1)N2CNN(CN2)C(=O)Cc3coc(c34)cc(C)cc4 -MOL_01_035732,c1nocc1-n2nnc(c2CNC)C(=O)N/N=C/c3ccccc3 -MOL_01_035733,CCOC(=O)Nc(nc1N)cc(c12)CCC(=N2)c3ccccc3 -MOL_01_035734,Cc1cc(O)cc(c12)n(cc2)COOCO -MOL_01_035735,Oc1cc(O)c(cc1C)C2CC(=O)N(CC2CN)CCc3ccncc3 -MOL_01_035736,c1ccccc1C2OC(=O)NC2C(=O)Nc3ccccc3 -MOL_01_035737,c1ncnn1CC23C(=C2)C=CC(=C3)CNCc4cccc(c45)OCCCO5 -MOL_01_035738,COc(c1)ccc(c12)OC(C)C(=O)Nc3c2cc(O)cc3 -MOL_01_035739,COC(=O)c1cccc(c1)CC(=O)/C=C/c(c2)ccc(c23)OCO3 -MOL_01_035740,O=C(O)CCCN1C(=O)/C(CC1=C)=C/c2cccc(c2)OCC(C=C3)=CC(=C4)C34C -MOL_01_035741,CC(C1)CCn(c12)cc(c2)C(=O)C/C=C/c3ccccc3C(=O)O -MOL_01_035742,CNC(=O)C(N)C(C)c1nc(co1)-c2ccccc2OC(F)(F)F -MOL_01_035743,Oc1cccc(c1)C2(COOOO2)C3CC=COC3 -MOL_01_035744,COc1cccc(c1)C(=O)NC(C=2)=Nc(c23)ccc4c3=CC(=N4)NCCN(C)C -MOL_01_035745,C1CCCCC1NC(=O)C(NC=O)c2cc(=O)c(co2)OCc3ccccc3 -MOL_01_035746,Oc1ccc(cc1)CC(C(=O)C)NC(=O)Cc2ccc(cc2)C(=O)OCC3CC3 -MOL_01_035747,Cc1ccc(cc1)-c2cnc(o2)CN3CCCC(C3)Cn4cncn4 -MOL_01_035748,CCCC(=O)c1cccc(c1)C(=O)NCCC2C(=O)NCc(c23)cccc3 -MOL_01_035749,c12ccc(OC)c(c1)OCC(=O)C(CCC(C2)NCC)C(=O)c3ccccc3 -MOL_01_035750,COc1ccccc1NCCN(C)CCCN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_035751,CC(C)(N1)C(=O)OC12Nc3c(O2)cccc3 -MOL_01_035752,Clc1cc(F)ccc1CC2=C(N=N2)C(=O)NCCCN3CCN(CC3)c4cccc(Cl)c4 -MOL_01_035753,Oc1cc(O)cc(c12)sc(=O)c(c2C)N3CCN(C)CC3 -MOL_01_035754,CCCCOC(C(C12)C=NN=1)=C(C=N2)C(=O)Nc3ccccc3 -MOL_01_035755,Cc1cc(sn1)-c2ccc(cc2)S(=O)(=O)Nc3cccc(Cl)c3C -MOL_01_035756,CCN(C(=O)C)c1cccnc1NCCNC(=O)C(C=2)=c(c23)cccc3 -MOL_01_035757,CC(C)c1cccc(c1)N(C)S(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_035758,c1ccccc1CCNC(=O)c2cccn2-c(c3)ccc(c34)COS4O -MOL_01_035759,S=C1N=NC(=C1)N2C(SCC2=O)c3ccc(Cl)cc3 -MOL_01_035760,CCc1ccc(c(O)c1C=O)NC(=O)C(C)CC2CCCCC2 -MOL_01_035761,COC(=C)C1=C(C(=O)CC)C(C(=O)OC)=C(C(=O)OC)C(C12C)C=CC=C2 -MOL_01_035762,COc(c1)ccc(c12)CNC(=O)CCC3=c4c(N=C3)cc(=C\2)\cc4 -MOL_01_035763,C1COCCN1C(=O)CCc2n(-c3ccc(C)cc3)c(nn2)CNc4ccc(F)cc4 -MOL_01_035764,CC(=O)CCCCCN1C/C(C1=O)=C\c2cn(-c3ccccc3)cc2-c4ccc(C)cc4 -MOL_01_035765,CCC(C)Oc1ccc(cc1OC)CC(=O)Nc2ccc(cc2)C(C)N3CCC(CC3)NC(=O)C -MOL_01_035766,Cc1nsc(C)c1-c2cc(ncn2)NCCN3CCOCC3 -MOL_01_035767,O=C(O)c(c1)ccc(c12)c3cc(C)c(cc2)c(c3OCCO)-c4ccc(C(=O)O)cc4 -MOL_01_035768,Cc1ncccc1C(=O)N/C(NC)=N/c2cccc(c2OC)OCC(O)CN3CCOCC3 -MOL_01_035769,Fc1ccc(cc1)Oc(c2C)c(C)cc(c23)c(cs3)CC(=O)O -MOL_01_035770,C1=Nc(c12)ncnc2NCCC(N(C)C)C(=O)Nc3cccc(c3)NS(=O)(=O)C -MOL_01_035771,OCc1ccc(cc1)C2OC(OC2=C)C(=O)Oc3ccccc3C(=O)OO -MOL_01_035772,CN(C)c1nc(N)c(nc1Cl)-c2nc(N)n(n2)C -MOL_01_035773,C1CCCc(c12)nc(s2)CN(C)Cc3nnc(s3)-c4cccs4 -MOL_01_035774,N/C=N/C(CF)c1cc(ccc1Cl)NC(=O)c2ncc(Cl)cc2Cl -MOL_01_035775,COC(=O)c(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)C -MOL_01_035776,Cc1cccc(N)c1C(=O)Nc2ccnc(c2)NC(=O)C3CC3C -MOL_01_035777,Cc1cc(c(C)n1C)-c2csc(c2)NC(=O)c3ccc(O)cc3 -MOL_01_035778,CCCCCCc1ccc(cc1)-c2nsc(n2)C3CCCN3C(=N)N -MOL_01_035779,COc(c1)ccc(c12)N(O)C=C(N2O)/C(C)=N/NC(=O)CC#N -MOL_01_035780,COc1cccc(c1C)C(=O)NCC(N)C#Cc2ccc(nc2)CN3CCOCC3 -MOL_01_035781,c1ccccc1Nc2c(C(=O)C)ccc(c23)cc(cc3)-c4ccc(cc4)C(=O)NCCN(C)C -MOL_01_035782,Cc1coc(C)c1-c2cccc(c2)C(NCCO)c3ccccc3 -MOL_01_035783,CCNC(=O)CNCN1CCN(CC1C)c2cccc(c23)cccc3 -MOL_01_035784,C=C(N)NCCCCNC(CCN)CNC(=O)c(c1)ccc(c12)cccc2 -MOL_01_035785,C1CCC(=C12)N(O)C(=C(C)N2O)c3ccc(C)cc3 -MOL_01_035786,O=C1CCCN1CC(CC)NC(=O)C(CC(=O)O)CCc2cccc(C)c2 -MOL_01_035787,O=C(O)CCC1=CC=C(C(C12F)=C(C)C=C2)C#Cc3ccccc3CCC#N -MOL_01_035788,CC(C)N(CC1)C(=O)C12CCN3/C(C2)=C/C=C/c4ccc(cc4)C3c5ccc(O)cc5 -MOL_01_035789,COc1cc(C=O)c(cn1)OCc2cccc(c23)scn3 -MOL_01_035790,OCCOc1cc(C)c(s1)C(=O)NC(C2CC34O)C(C4)CC(C2)C3 -MOL_01_035791,CC(=O)N(C)CCS(=O)(=O)Nc(ccc12)c(c1)ccc3ccc4c(c3)c([nH]2)c5c(n4)cccc5 -MOL_01_035792,CC(=O)NCCOC(=O)Nc1ccc(cc1O)-c2ccc(nc2)C(=O)N(C)C -MOL_01_035793,Cc1ccccc1NS(=O)(=O)c2cccc(c2)-c3nnc(s3)-c4ccccc4 -MOL_01_035794,CC(C)c(s1)nc(c12)cc(cc2)C(=O)N(C)C3CCOCC3 -MOL_01_035795,C1CCC1(C)S(=O)(=O)CC(C)c2cc(ccc2F)NC(=O)c3ccc(Cl)cn3 -MOL_01_035796,O=C1N=NC(=O)c(c12)c(ccc2)NS(=O)(=O)c3ccccc3 -MOL_01_035797,O=Cc1snc(c12)C(OCC2)c3ccc(Cl)cc3 -MOL_01_035798,C1CCCBC(N12)=NC(\C2=O)=C/c3cccc(c3)OCc4ccccc4 -MOL_01_035799,c1ccccc1C2=C(C=C2)C(=O)NC(=S)Nc3ccccc3N4CCOCC4 -MOL_01_035800,C1CCCC(=C12)N(O)C(=C(C)N2O)c3ccccc3 -MOL_01_035801,COc(cc12)c(c(c1)OC)occc3cc(cc2)ccc3N4CCNC4=O -MOL_01_035802,C/C=C/Cc1nsc(N)c1-c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)O -MOL_01_035803,Cc1ccc(cc1)C2CCC(=O)N2NC(=O)C(C)Oc3ccc(N)cc3C -MOL_01_035804,Cc1c(NC)ccc(c1NC)COc2cccnc2-n3cccn3 -MOL_01_035805,CCCCCCC(=O)N1CC=CC1C(=O)NCC2=C(C(=N)N)C=C2 -MOL_01_035806,O=C(O)CCNCC1=CC(=C1)c2noc(n2)-c3ccc(cc3)Oc4ccccc4 -MOL_01_035807,CC(O1)NC(=O)NC(C)c(c12)ccc(c2)OC3CN(C3)c4ncc(cn4)C5CC5 -MOL_01_035808,C12=CC=C(CO1)N(CC2)C(CCOC)C(=O)Oc3c(OC)cccc3OC -MOL_01_035809,C=CCOC(=O)NCCc1cc(=O)sc(c12)c(C=O)c(O)cc2 -MOL_01_035810,CCC1=C(CN)C(=O)NC(C1)c2ccc(C)cc2C -MOL_01_035811,CCOc(sc1=O)nc(c12)scc2C(C)C -MOL_01_035812,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)NCc3ccccc3 -MOL_01_035813,COc1cccc(c1)CCCNCCCN(C)C(=O)C2(C)CCN(CC2)Cc3ccnc(N)c3 -MOL_01_035814,Cc1ccc(cc1)C2C(=O)CC(=O)/C(C2=O)=C\c3cccn3C(C)(C)C -MOL_01_035815,CC(O)CC(O)CCn1ccc(c1CC)C(=O)NCc2ccc(cc2)-c3ccccc3 -MOL_01_035816,CNC(=O)Cn1cnc(c12)c(F)c(F)c(F)c2F -MOL_01_035817,OC1=CC(=O)C=C1Cc2cc(C)c(cc2)OCCC3CCCCC3 -MOL_01_035818,O=C(O)CCCCO/N=C(\C1CCCCC1)C(n2cncn2)Cc3ccccc3F -MOL_01_035819,COC(=O)C1=CCC(=O)C(C1)OC(=O)/C=C/c2cc(OC)ccc2OC -MOL_01_035820,CC(C)=CCC(OCC)C(=O)C/C=C/C(=O)c1ccc(O)c(CC)c1O -MOL_01_035821,C=CCCC(=C)CCC(=C)Nc(c1)ccc(c12)C(=O)CC(=O)C2=C -MOL_01_035822,Cc(c1)c(C)cc(c12)N(O)C(=C(C)N2O)/C=N/NC(=O)c3ccncc3 -MOL_01_035823,C1CCCC1CCC(=O)OCC(=O)Nc2cc(ncc2Cl)S(=O)(=O)N3CCOCC3 -MOL_01_035824,COc1cccc(c1)N(C)S(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_035825,CC(=O)NCSCC(NC(=O)OC1(C)C)C(=O)N/C(=C/1)Cc2ccccn2 -MOL_01_035826,CN(C)C(N1O)=NN(O)c(c12)cc3c(c2)CCC3 -MOL_01_035827,COc1cccc(c1)-c2snc(c23)ccc(c3)C(=O)/C=C/N(C)C -MOL_01_035828,COc1ccccc1N(CCN23)/C(C2)=C/c4cccc(c4)/C=C/C=C/C(=O)NCCCC3 -MOL_01_035829,Cc1cc(sn1)C(=O)Nc2cccn(c2=O)Cc3ccc(F)cc3 -MOL_01_035830,CC(=O)c(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)N -MOL_01_035831,N=C(N)N1CCCC1C2=NC(=N2)c(c3)ccc(c34)cc(cc4)OCc5ccc(Cl)cc5 -MOL_01_035832,CN(C)c1cccc(c1)S(=O)(=N)Nc2cccc(c2)Oc3cccc(c3=4)=NC(N4)=N -MOL_01_035833,Cc1ccc(O)cc1-c(c2)ccc(c23)c(N)c(N)nc3 -MOL_01_035834,CC(C)CC(C(=O)OC)NC(CC(=O)NC)c1ccc(cc1)-c(c2)ccc(c23)OCO3 -MOL_01_035835,O=C(O)c1cc(on1)-c2cccc(c2)-c(c3)ccc(c34)ccc5c4onc5C(=O)O -MOL_01_035836,COCc1ccc(cc1)C(=O)N2CCOCC2c3ccc(s3)C -MOL_01_035837,COCCNCCNc1c(ccc(c12)cccc2)-c3ccc(OC)c(c3)OC -MOL_01_035838,Cc1nsc(C)c1-c2nc(ns2)CS(=O)(=O)c3ccc(Cl)cc3 -MOL_01_035839,CC(C)C1=NN=C(C1=2)C(=O)N=C(N2)CC3CCCCC3NC(=O)CC4CCOCC4 -MOL_01_035840,Cc1ccc(cc1)Oc2c(N)c(O)nc(c2O)N3CCCC3 -MOL_01_035841,Cc1ccc(cc1O)N/C/2=C(\CCC)/C(=C\N=N/C=N\2)C(=O)NCCCN3CCCC3 -MOL_01_035842,c1ccncc1C(=O)NCC(CC)CN2CCC(CC2)c3ccccc3 -MOL_01_035843,CC(C)NC(C1)=NS(=O)(=O)c(c12)cccc2O -MOL_01_035844,C=CC(=O)NC/C=C/c1cncnc1Nc2ccc(c(N)c2)OCc3ccccn3 -MOL_01_035845,C1OOc(c12)cc3c(c2)CCC(COO)C3Cc4ccccc4 -MOL_01_035846,c1cc(F)cc(c12)N(O)C(=C(C)N2O)/C=N/NC(=O)c3ccncc3 -MOL_01_035847,c1cccc(c12)c(oc2C)/C=C(C3)\C(=O)OC3(CO)COC(=O)C(C)(C)C -MOL_01_035848,ON1C(C)=C(C)N(O)C(=C12)C(OC(=O)C)CCC2OC(=O)C -MOL_01_035849,COc(c12)ccc(c1)c3c4c5c(c2)/C=C6/OCCN(C6)C(=O)COc(c5)cc4oc(=O)c3 -MOL_01_035850,C1CCCN1C(=O)C(N)C(C)c2nc(ns2)-c3ccc(C(F)(F)F)cc3 -MOL_01_035851,CC(C)(C)OC(=O)NC(C(=O)OCCO)Cc1coc(c12)cccc2 -MOL_01_035852,Cn1nc(C(C)(C)C)cc1CC(=O)Nc2ccccc2C3(N)N=N3 -MOL_01_035853,O=C(N=1)C(=O)N=c(c12)ccc(c2)S(=O)(=O)N3CCN(CC3)c4ccccc4Cl -MOL_01_035854,COCCCC(O)CC(=C)CCc1ccc(OC)c(c1)CO -MOL_01_035855,CCOC(=O)N1CCN(CC1)C(=O)CCN(C(=S)N=2)C(=O)C(C23)=CC=C3 -MOL_01_035856,CCC(CO)CC(=C)C1COOc(c12)c(O)c(C)cc2O -MOL_01_035857,C12c3c2ccc(c3)CN(C(\C)=C\C(=O)N(CC)CC)C(=O)CCC(=O)NC1C -MOL_01_035858,CC(C)C1=NN=C(C1=2)C(=O)N=C(N2)CC3CCCCC3Nc4ncccn4 -MOL_01_035859,Fc1ccc(C(F)(F)F)cc1C(=O)Nc(c2)ccc(c23)COS3O -MOL_01_035860,O1COc(c12)ccc(c2)CCC(=O)C3CC(=O)N(C3)c4ccc(O)cc4 -MOL_01_035861,COc(c1)ccc(c12)CCNC(=O)Oc3c(\C=C\2)cc4c(c3)nccc4 -MOL_01_035862,c1ccncc1C(O)(CCC(CN23)(OC)C(CC2)CC3)c4ccccc4 -MOL_01_035863,COc1ccccc1N2CCN(CC2)C(=O)c3cc(sn3)C4CC4 -MOL_01_035864,COc1cc(ccc1)C(=O)NCC(NC)C#Cc2cccc(c2)C(N=O)N3CCOCC3 -MOL_01_035865,O1COc(c12)ccc(c2)-c3snc(c3)C(=O)NCCCn4ccnc4 -MOL_01_035866,COc1cccc(c1)C(=O)NCC(NC(=O)N)C#Cc2ccc(cc2)C(N=O)N3CCN(C)CC3 -MOL_01_035867,c1cccnc1COc2cc(NCC)c(cn2)C(=O)NCCCOC -MOL_01_035868,Cn1cccc1Cc2n(CC)c(nn2)OCC(=O)c3ccc(C)cc3 -MOL_01_035869,c1cccc(c12)scc(c2=O)/C=C/c3cccnc3 -MOL_01_035870,Clc1ccc(cc1)COCC(C#N)NC(=O)C(CC2=O)=C(N23)COCC3 -MOL_01_035871,COC1=C(C=C1)CCNC(=O)C2CC(=NO2)c3ccc(cc3)C45C(O4)=C5 -MOL_01_035872,c1ccncc1CNC(=O)C2=CC(=C2)C3CCCCN3C(=O)c4ccccc4 -MOL_01_035873,N#CC1CC(F)CN1C(=O)CNCCCNc(c2)cnc(c23)cccc3 -MOL_01_035874,Cc1ccc(cn1)C(=O)NCCCNC(=O)COC(=CC23C)C(=C2)C=C3Cl -MOL_01_035875,COC(=O)c1cccc(c1)OCc2oc(cc2C)-c3ccccc3OC -MOL_01_035876,O=C/C=C/c1cccc(c1)C(=O)NC(c2ccccc2)COC(=O)c3ccccc3 -MOL_01_035877,c1ccccc1OCCC(C(=O)OCC)(C23C=CC=4C(=C2)C(C)=CC4)CCN(C3)CCCn5cccn5 -MOL_01_035878,NC(N=1)=NC(=O)C(C12)=CC(=N2)CCCCCC(=O)NCc3cccnc3 -MOL_01_035879,CCCN(CCC)CCNC(N1O)=NN(O)c(c12)ccc(c2)C(C)C -MOL_01_035880,Nc1cccc(c1)Nc2cc(=O)sc(c23)c4c(cc3)CCCC4 -MOL_01_035881,Cc1ccccc1-c2cccc(c2)N3CCC(CC3)C(=O)NC4(CO)CCCC4 -MOL_01_035882,C=C1CC(C)=C(C(=C)CC)C(C1)c2cc(OC)c(O)nn2 -MOL_01_035883,Cc1ccc(O)c(c1)CCCC2OC(C)ON2c3ccc(cc3)COO -MOL_01_035884,COC(=O)Nc1ccc(c(Cl)c1)-c2nc(ns2)-c3cccs3 -MOL_01_035885,COc1cc(OC)cc(c1)C2C(=O)CC(C2=O)N3CCC(CC3)C(=O)C4CCCCC4 -MOL_01_035886,O=C1N=NC(=N1)c2cc(ncn2)-c3ccc(Cl)c(Cl)c3 -MOL_01_035887,Oc1cccc(c12)N(O)c3c(N2O)cc4c(c3)CN(C4)CCN5CCOCC5 -MOL_01_035888,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CN3CCCCC3 -MOL_01_035889,CCNC(=O)NCCCNc(c1)ccc(c12)C(=O)NCCc3c(C2)cc(C)cc3 -MOL_01_035890,Fc1cc(C(F)(F)F)ccc1C(=O)Nc(c2)ccc(c23)COS3O -MOL_01_035891,CC1=NN=C(C1=2)C=C(C2)OCCNCC(O)c3cccc(c3)NS(=O)(=O)C4CC4 -MOL_01_035892,c12c(c1)c(C)c(c2)OCC(=O)Oc3ccccc3NC(=O)c4ccco4 -MOL_01_035893,O=C(O)c1ccc(cc1)N2C(=O)/C(CC2=S)=C/c3ccc(Cl)cc3 -MOL_01_035894,CCCNCC(=O)NC(CN)Cc1ccc(cc1C)-c2cnc(N)cn2 -MOL_01_035895,COC1COCCN(C1)C(=O)c2cc(C)sc2C(F)(F)F -MOL_01_035896,Cc1ccc(cc1)C2=NN(C(=C)N2CC)CC(=O)NCCc3ccccc3 -MOL_01_035897,c1cccn1-c2cc(ccc2OC)OCCNC(=S)Nc3ccc(nc3)-c4ccccn4 -MOL_01_035898,CN(C)CCc1ccc(OC(=O)C(C)(C)C)c(c12)OC(=O)C(C)(C)\C=C/C=C\2 -MOL_01_035899,COC(=C1)C(C=C2)(OC)C=C(C123)CCN(C3)CCCCNC(=O)c4ccccc4 -MOL_01_035900,FC(F)(F)c1ccccc1-c(s2)nc(c23)nccc3 -MOL_01_035901,c1cc(O)cc(c12)C(CCC)C(O)(CC2)CCCN(C)C(=O)/C=C/C(=O)OC -MOL_01_035902,CCOc1cccc(c12)cc(c(s2)=O)C(=O)NC3CCCCC3 -MOL_01_035903,COc(c1)ccc(c12)N(O)N=C(N2O)NCCN3CCCCC3 -MOL_01_035904,CC1(C)C=CC=C1N(CC(C)C)S(=O)(=O)N2CCC(CC2)C(=O)NCc3ccco3 -MOL_01_035905,c1cc(cc2)c(c3c12)oc4c3c(N/C(N)=N/C)ccc4OCc5ccccc5 -MOL_01_035906,Cn1cc(cn1)-c2ccc(cc2)N(C(=O)OC)CCCCCc3ccc(CN)cc3 -MOL_01_035907,CC(=O)Nc1ccc(cc1)-c2ccc(s2)/C=N/N3C(=O)NC(=O)C3O -MOL_01_035908,CCOC(=O)COc1c(O)cc(C(C)(C)C)cc1CN -MOL_01_035909,CC(C)(C)c(s1)cc(c12)c3c(nc2N)cccc3 -MOL_01_035910,CCCCCNC(=O)CCCC(C)CNS(=O)(=O)c1cccc(c12)nsc2 -MOL_01_035911,COCc1cc(ncn1)N(C)CC2=NC(=C2)C(C)(C)C -MOL_01_035912,c1ccc(Cl)c(c12)nc(sc2=O)-c3ccccc3Cl -MOL_01_035913,CC(C)CC(N)C1=C(C=C1)Nc2ccc(cn2)C(=O)N(C)Cc3ccccc3 -MOL_01_035914,O=C(O)CCC(NC)C(=O)NCCc1ccc(cc1)OCc(c23)c4c(c3)c4cc2 -MOL_01_035915,COc1c(OC)cc(cc1OC)/C=C/c(s2)cc(=O)c(c23)ccc(OC)c3OC -MOL_01_035916,CC(=O)Oc1ccc(cc1CC(=O)C)C(CO)Oc2cc(OC(=O)C)cc(c2)OC(=O)C -MOL_01_035917,Cc1ccccc1S(=O)(=O)CC2=C(C=C2)C(=O)N3CCN(CC3)C4CCCCC4 -MOL_01_035918,COc1ccc(c(c1)OC)CNc2cc(ccn2)-c3nc(C)ns3 -MOL_01_035919,COc1ccccc1C(=O)NCc2nc(no2)CSC -MOL_01_035920,CCCNCCCCCNC(=O)N(c1ccccc1)/C(=C\C#N)NC(=O)c2ccccc2O -MOL_01_035921,Nc1nnc(c12)sc3c(c2)c4c(cc3)cccc4 -MOL_01_035922,CC(C)c1cc(sn1)NC(=O)C2CCCCN2C(=O)N(CC3)CCS3(=O)=O -MOL_01_035923,Nc(n1)cc(N)c(c12)c(ccc2)COc3ccc(O)cc3 -MOL_01_035924,c1ccccc1CC(C(=O)OC)NC(CC(=O)N)c2ccc(cc2)-c3cccc(Cl)c3 -MOL_01_035925,c1ccccc1NC2=C(N=N2)C(=O)Nc3ccc(nc3)N4CCOCC4 -MOL_01_035926,CCCc1nnc(n12)SCC(N2)c3ccc(C)cc3 -MOL_01_035927,c1cncn1CC(O2)C(O)c(c23)cccc3Cl -MOL_01_035928,Cc1sc(cc1)CNc2cc(OC)c(cc2)-c3cncs3 -MOL_01_035929,CC(C)COC(=O)c1cnc(cn1)Oc(c2)ccc(c23)COS3O -MOL_01_035930,CCN(CC)CCNC(N1O)=NN(O)c(c12)ccc(c2)C(C)C -MOL_01_035931,CCCC(=O)Nc1c(O)cc(O)c(c1O)/C=C(\CC)C(=O)O -MOL_01_035932,Cc1cccc(c12)cc(CN)c(n2)CCCN3CCCCC3 -MOL_01_035933,Oc(c1)ccc(c12)ccc(C(=C)CC)c2CC3=C(C=C3)OOOCC4CCCOC4 -MOL_01_035934,COc1ccc(c(c1)OC)C(=O)COC(=O)c(c23)ccc(c2)c=4c(c3)N=NN4 -MOL_01_035935,O=C(O)CCc(c1=O)csc(c12)cccc2OCC3CCCCC3 -MOL_01_035936,NC(=O)CCNCc1cc(C)c(cc1)-c2ccccc2 -MOL_01_035937,NCCOc(c1)c(OC)cc(c12)c(ccc2)Nc3c(F)ccc(O)c3C -MOL_01_035938,c1cnccc1-c2nnc(n2CCC)NCC(=O)NC3CCCCC3 -MOL_01_035939,COC(=O)c1cccc(c12)/C(=C/O)c3c2cccc3 -MOL_01_035940,Cc1cc(ns1)-c2nnc(s2)-c3cccc(C(Cl)(Cl)Cl)c3 -MOL_01_035941,c1ccccc1-c2cc(=O)sc(c23)cc(OC)c(c3)OCCN4CCN(C)CC4C -MOL_01_035942,Cc1cc(N)nc(C)c1CNC(=O)c2cc(ns2)Cc3ccccc3 -MOL_01_035943,CCC1=C(C=C1)NC(=O)C(=O)CCC(c2cccnc2)N3CCN(C)CC3 -MOL_01_035944,Oc1cc(O)ccc1C(C)CNC(=C)Nc2ccccc2C(=O)CN3CC3 -MOL_01_035945,C1CCCCC1NC(=O)CN(C2=O)C(=O)N=C(C2=3)C=CC3 -MOL_01_035946,CC(=O)c1ccc(Cl)c(F)c1/C=C/C(=O)NCCCCC(C)C(=O)Nc2ccccc2 -MOL_01_035947,COCCCNC(=O)CS(O)Cc1cc(oc1CO)-c2ccccc2C -MOL_01_035948,Cc1cc(N)cc(N)c1/N=C(N=2)\C=C(C23)C(=O)CC(C3)C(C)C -MOL_01_035949,CCCC(=O)c1cnc(c(c1)CO)NCCNC2=C(OC)C=C2 -MOL_01_035950,CC(=O)CC(C(C)C)c(c1O)cc(O)c(c12)cccn2 -MOL_01_035951,COc1ccc(OC)c(c1)C(OC)/C=C/c2c(C)nc(N)nc2N -MOL_01_035952,COC(=O)CCCNC(=O)c1ccc(c(c1)OC)NC(=O)c2ccc(C(F)(F)F)cc2 -MOL_01_035953,COc1ccc(OC)c(c1)S(=O)(=O)Nc(c2)ccc(c2=3)=NC(N3)=O -MOL_01_035954,c1cccc(c12)\C=C\COC(=O)CCC(CN2)c3oc(C)cc3 -MOL_01_035955,Oc1cc(OC)cc(c12)oc(\c2=C)=C\c3ccc(C(C)C)cc3 -MOL_01_035956,Cc1ccccc1-c2nsc(n2)CCC(=O)Nc3cccc(C)c3C -MOL_01_035957,OCCOC(=C)C(C(=O)CC1(C)C)=C(C1)Nc2ccc(N)cc2N -MOL_01_035958,Fc1ccccc1C(=O)CCC(c(c2)ccc(c23)OCO3)N4CCOCC4 -MOL_01_035959,O=C(C)C(N1O)=C(C(F)(F)F)N(O)c(c12)cccc2 -MOL_01_035960,C1CCCNC1CNC(=O)c2ccc(cc2)SCc3ccccc3SO -MOL_01_035961,Nc(n1)nc(N)c(c12)N(O)c3c(N2O)cccc3 -MOL_01_035962,COc1ccc2/C=C\C(=O)OCC(=O)NC(C)CCc(cc3)ccc3c(c2c14)ccc4 -MOL_01_035963,Oc(c1)ccc(c12)CCC(C2)(O)C/C(C=O)=C/c(c3)ccc(c34)cccc4 -MOL_01_035964,Nc1ccccc1C(F)N(CC2)C(=O)OC23CCC(O)CC3 -MOL_01_035965,CC(=O)N1CC=C(CC1)CN2CCC(CC2)Nc(c3)cnc(c34)cccc4 -MOL_01_035966,Cc1ccc(cc1)C(=C)Cc2cc(O)cc(O)c2 -MOL_01_035967,O=C(O)CCN1C(=O)/C(CC1=C)=C/c2cc(OC)cc(c2)OC -MOL_01_035968,C1CCCN1c(nc(c23)nsn3)c(n2)N4CCCC4 -MOL_01_035969,CC(=O)N(C)CCOc1cc(ccc1S(=O)(=O)NCC)/C=C/c2ccccc2 -MOL_01_035970,NNC(=O)Cc1cc(=O)sc(c12)cc(cc2)OCc3ccccc3 -MOL_01_035971,COCCc(ccc12)c(c1)/C=C/C(C)(NC(=O)C)c3ccc(cc3)c4ccc(O2)cc4 -MOL_01_035972,C1=CC=C1C2=NN=C(C=C3)C23C(=O)OCC -MOL_01_035973,C1CNCCC1c2snc(O)c2-c3ccccc3Cl -MOL_01_035974,c1ccccc1C(=O)C/C(C)=N/CC(O)/C(/N=C(/C)CC2=O)=C(c(cc23)ccc3)\c4ccccc4 -MOL_01_035975,COc1ccc(C)cc1CCCCNCCC(C)(OC(=O)C)c2ccccc2 -MOL_01_035976,COc1ccc(c(c1)OC)C(=O)COC(=O)CCC2=C(C)C=CC2=O -MOL_01_035977,C1=CC(C)=C(C1=2)C(=O)C=C(N2)NC(=O)c3ccccc3 -MOL_01_035978,Cc1ccc(cc1)NC(N2O)=C(C#N)N(O)c(c23)cc(Cl)cc3 -MOL_01_035979,c1ccccc1-n2nc(C)c(c2)NCC(=O)N3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_035980,CCCCNC(=O)Nc1ccc(cc1)C(O)(C(C)(O)O)C(=O)OCC -MOL_01_035981,CCOc(c1)ccc(c12)cc(CN)c(n2)OCC(=O)OCc3ccccc3 -MOL_01_035982,CCC(N1O)=NN(O)c(c12)ccc(c2)OCCN(C)C -MOL_01_035983,O=C(O)CCN(C(=O)C1)NC(C12)c3c(CC2)cccc3 -MOL_01_035984,CCOC(=C)c(c1)ccc(c12)c(O)c(c(c2O)C(=C)OCC)-c3ccccc3 -MOL_01_035985,CCC(C=1)=CC(C12)=NC(=NC2=O)c3ccsc3 -MOL_01_035986,CC(C)c1cc(cn1C(C)(C)C)C(=O)NCC(O)C2CCOCC2 -MOL_01_035987,COC1=C(C(=C1)C(C)C)Oc2cnc(nc2N)NC(=O)C(N)C(C)C -MOL_01_035988,CCCSCC1CN(CC1O)CC2=CN=C(C2=3)C(=O)N=CN3 -MOL_01_035989,O=C(O)CCN1C(=O)/C(CC1=C)=C/c2cccc(c2)OC -MOL_01_035990,Cc1cnn(c1)C2CN(C2)Cc3nc(ns3)-c4ccccc4C -MOL_01_035991,c1ccccc1CCCCC(C2=O)CC(=O)NC2(CO)CCC(=O)Oc3ccccc3 -MOL_01_035992,C/N=C(\C)Nc1ccc(cc1)-c2nc(N)n(n2)/C(C)=N/C -MOL_01_035993,CNCCNc1cc(C(F)(F)F)ccc1-c2ccccc2CCNS(=O)(=O)N -MOL_01_035994,COC12C(=C1)C=C(C=C2)N3CCN(CC3)/C(O)=N/c4cc(C)ccc4C -MOL_01_035995,CCOc(c1)ccc(c12)N(O)N=C(N2O)NCCN(C)C -MOL_01_035996,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)/C=C/c3ccccc3 -MOL_01_035997,COc1ccc(cc1)Nc2cc(OCC)nc(n2)NCc3ccco3 -MOL_01_035998,CCN(CC)CCCC(C)Nc1ccccc1S(=O)(=O)Nc2ccccc2C -MOL_01_035999,C=C1CC(O)CC(O1)/C=C/c2c(C)cc(O)cc2OC/C=C/c3ccccc3 -MOL_01_036000,CC(N=1)=NC(=O)C(C12)=NC(=C2)c3ccccc3 -MOL_01_036001,COC(=O)NCCC1=C(N=N1)C(=O)NCCCc2ccc(F)c(F)c2C(F)(F)F -MOL_01_036002,CCc1c(O)n(c(c1)C)C(=C)NCc2ccc(cc2)OCCOOC -MOL_01_036003,COc1c(O)cc(OC)cc1C(=C)NCC2CCCC2CC -MOL_01_036004,c12c(O1)cc(cc2)CC(C=O)c3cc(ccc3)C(=O)NCCN4CCOCC4 -MOL_01_036005,C=CCOC(=O)C(C(=O)C)C(OC(=O)OC)c1cccc(C(F)(F)F)c1 -MOL_01_036006,OCCNC(=C)C1(CCCCC1)NC(=O)c2ccc(cc2)N3CCN(C)CC3 -MOL_01_036007,O=C(N=1)N=c(c12)cccc2Oc3cccc(c3)NS(=O)(=O)c4ccccc4 -MOL_01_036008,Cc1ccc(cc1)OCC(=O)Nc2cc(S(OC3(C)C)OC3(C)C)ccc2O -MOL_01_036009,c1ccccc1CCNC(=O)CCCN(C(=S)N=2)C(=O)C(C23)=CC=C3 -MOL_01_036010,c1cccc(c12)OCC2C(=O)CCc3ccc(C4(O)OO4)cc3 -MOL_01_036011,CC(C)CCCN1C(C(=O)C1)NC(=O)C(CC(C)C)NC(=O)OCc2ccncc2 -MOL_01_036012,COc1cccc(c1)C(=O)NCC(N)C#Cc2ccc(cc2)/N=C(/NC#N)NC3CC3 -MOL_01_036013,c1ccccc1NC(=O)CC2C/C(N(C2=O)CCO)=C\c3ccccc3 -MOL_01_036014,COc1ccc(cc1)/C=C/C(=O)c2c(O)cc(C)c(N)c2C -MOL_01_036015,C1CCC=C1CC(=C)c2cc(OCO)c(OOO)c(c2)OOO -MOL_01_036016,Cc1cccc(c1)NC(=O)c(c(=O)s2)cc(c23)cc(C)cc3 -MOL_01_036017,CC(C)(C)/C=C/COC(C)(C)OCC(OC)C(=O)NC1CCCCNC1=O -MOL_01_036018,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CSCCN -MOL_01_036019,COc(cc12)c(occ1)cc2CNS(=O)COS(=O)c(c(O)c3)cc(c34)cccc4 -MOL_01_036020,N=C(N)C(C=1)=c(c12)ccc(c2)-c3cccc(c3)OCc4ccc(F)c(F)c4 -MOL_01_036021,CCCc1cc(ccc1O)-c2nsc(c23)cc(O)cc3 -MOL_01_036022,Cc1ccc(cc1)Oc2cc(C)c(c(C)c2)C3=C(C=C3)NC(=O)c4ccncc4 -MOL_01_036023,O=C(O)C(=O)/C=C(\O)c1ccc(s1)-c2ccc(F)c(Cl)c2 -MOL_01_036024,C1COCCN1C2=C(C=C2)C(=O)NNC(=O)c3ccccc3C(F)(F)F -MOL_01_036025,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)NCCC#N -MOL_01_036026,COc1ccc(OC)c(c1)Cc2cc(cc(n2)N)-c3ccccc3 -MOL_01_036027,CCCN(C)C(=O)OCCC1CN(C(=O)N1)c2ccc(cc2)OC3(C)C=C3 -MOL_01_036028,c12c3ccc(C(C)C(=O)O)c1c(c(OC)cc2)OCC(=O)c4ccc(C3)cc4 -MOL_01_036029,c1cccnc1CNC(=O)Nc2nnc(o2)-c3cccs3 -MOL_01_036030,COCCc1noc(n1)CN2CCCC2c3nsc(n3)C(C)C -MOL_01_036031,c1ccccc1OCc2nnc(n23)CCC(=N3)c4ccccc4 -MOL_01_036032,Cc1cc(ns1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3 -MOL_01_036033,Cc1nccc(n1)NC(=O)c2cccc(c2=3)=NC(N3)=O -MOL_01_036034,CC1=CCC(C(C)=C1)Oc2cc(OO)c(C(C)C)c(c2)OO -MOL_01_036035,CCc1nsc(n1)CN2CCC(CC2)NC(=O)c3ccc(s3)C -MOL_01_036036,CC(C)c1ccc(cc1)NS(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_036037,Cn1c(CO)cnc1CC(C(=O)NC2CC2)c3ccccc3 -MOL_01_036038,CCCCCCCCC(=O)NCc1ccc(O)c(c1F)OC -MOL_01_036039,C1OCC(CCO2)C12OC(=C)Cc3cc(OC)ccc3OC -MOL_01_036040,C1C(O)=CC(C=12)=CC(=C2C)C(c(cc3)ccc3O)C4CCC(CC4)CCO -MOL_01_036041,NCC1OS(O)c(c12)c(ccc2)OCCCO -MOL_01_036042,Cc1cc(=O)sc(c12)ccc(c2)OCC(=O)NCc3cccs3 -MOL_01_036043,O=C1COCCN1c2cc(OC)c(cc2)OC(=O)OCCOC=O -MOL_01_036044,O=C(O)C(C)CCC1CCN(CC1)Cc(c2)ccc(c23)Nc4c(N3)nccn4 -MOL_01_036045,Cc1cccc(c1N)CCC(=O)C2CN(C)C(=O)C2C -MOL_01_036046,N=1N=C(N)C(C12)C(=CC=N2)c3ccc(cc3)NC(=O)Nc4cc(F)cc(F)c4 -MOL_01_036047,O=C(O)CCNCc1ccc(cc1)-c2cc(on2)-c3coc(c3)-c4ccccc4 -MOL_01_036048,COC(=O)c1cc(N)cc(c1)-c2c(C)nsc2C -MOL_01_036049,c1ccccc1CC(=O)c2ccn(c2)-c(c3)ccc(c34)COS4O -MOL_01_036050,OCc1c(C)c(F)cc(c12)c(C)ncn2 -MOL_01_036051,C1OS(O)c(c12)c(cc(c2)OC)CCC(=O)O -MOL_01_036052,FC(F)(F)CCC(=O)N1CCC(CC1)c2nc(ns2)-c3ccccc3F -MOL_01_036053,CC(C)NCCCNC(=O)C1=C(O)C(=O)C(=C1)C(=O)NCc2ccc(F)cc2 -MOL_01_036054,c1ccnn1C(=O)c2csc(n2)-c3cccc(F)c3 -MOL_01_036055,Cc1ccc(c(C)c1C)CCC(=O)NC(=O)Nc(c2)ccc(c23)OCCO3 -MOL_01_036056,CCCCOC(NC(=O)NC1=O)C1(O)C(=O)OCC -MOL_01_036057,CC(C=1)=CC(C12)=NC(=NC2=O)CNC(=S)CCc3ccccc3 -MOL_01_036058,CCN(CC)CCNC(N1O)=NN(O)c(c12)ccc(c2)C -MOL_01_036059,NC(O)(O)C(=O)N(C)c1cc(C)nc(c1)OCc2cccc(N)c2 -MOL_01_036060,COc1ccc(cc1OC)S(=O)(C)=NCNCCCNC(=O)c2ccco2 -MOL_01_036061,O=C1CC(N12)CC=C2C(=O)NCc3ccccc3 -MOL_01_036062,C1COCCN1CCC(=O)NCC(N)Cc2cc(O)c(c(O)c2)Oc3ccc(O)cc3 -MOL_01_036063,CC(C)CNC(=O)c1ccc(cc1N)NC(=O)NC(C)(C)CO -MOL_01_036064,c1cnccc1C2=NN(C(O2)=C)CNCCNCc(c3)ccc(c34)OCO4 -MOL_01_036065,CCCCOc1cc(ccc1OC)C(=O)CCc2ccn(C)c2C -MOL_01_036066,Cc1ccc(cc1N)NC(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(Cl)nc3 -MOL_01_036067,NC1=NC(CO1)c2cccc(c2)-c3cccc(c3)OCC(F)F -MOL_01_036068,CC(C)(N)C1(C)OC(=O)N(C1=O)C2CCCCC2 -MOL_01_036069,O=Cc1cc(C(=O)OO)c(O)cc1C2CCOOC2 -MOL_01_036070,Clc(c1)ccc(c12)N(O)C(=C(C#N)N2O)Nc3ccccc3 -MOL_01_036071,O=C(N=1)N=c(c12)ccc(c2)C3=NN=C(SC3)Nc4cccc(F)c4 -MOL_01_036072,OOc1c(OC)cc(cc1OO)C(=C)c2cc(C)ccc2OC -MOL_01_036073,COc1cccc(c1)-c(ccc(c23)cccc3)c2COC(=O)CCC(=O)O -MOL_01_036074,Fc1ccc(cc1F)CC(C)C(=O)NC/N=C/c(c2)ccc(c23)CN(C)CC3 -MOL_01_036075,CC1=CC(C)=C(C1=2)C=C(N2)CC(=O)NCc3ccccc3Cl -MOL_01_036076,Cc1ccc(cc1)C(=O)c2ccn(c2)-c(c3)ccc(c34)COS4O -MOL_01_036077,CCCC(=O)COc1ccc(O)c(C)c1 -MOL_01_036078,c1cccc(c12)nc(CC)n(c2=N)NCCc3ccccc3 -MOL_01_036079,COc(c(O)c1)cc(c12)C(=CCC2)CCC(C)COC(=O)COC(=O)O -MOL_01_036080,OCC1(O)CCN(CC1)c2ncccc2C(Cl)(Cl)O -MOL_01_036081,Oc1ccccc1NC(=O)CCc2nnnn2-c3ccc(C(=O)O)cc3 -MOL_01_036082,COc1ccc(c(c1)OC)NC(=O)C(O)(OC)C(C)(C)O -MOL_01_036083,CC(C)c1cc(C(F)C)ccc1C(=O)CC(C(=O)O)NCC(=O)O -MOL_01_036084,Fc1ccc(cc1)-c2nnc(C)n2/N=C/c3cccc(O)c3 -MOL_01_036085,NC(=O)CNc1ccccc1CCCNC(=O)Nc2cccc(c23)cccc3 -MOL_01_036086,NCCCCN(CC)c1c(F)ccc(NC)c1OC -MOL_01_036087,CC(C)NC(=O)c1cccc(c1)N(C)CC(=O)NC2CCCCC2 -MOL_01_036088,c1cc(F)cc(c12)snc2C3CCN(CC3)CCCOc4ccccc4N -MOL_01_036089,COc1ccc(cc1OC)CCN(C)Cc2nc(ns2)-c3cnccn3 -MOL_01_036090,O=C1CC(=O)C(O1)c2ccc(O)cc2C(O)(O)O -MOL_01_036091,c1cc(C)cc(c12)cc(o2)CNC(=O)C(CCSC)NC(=O)COc3ccccc3 -MOL_01_036092,NC(=O)NC(=O)CCOCc1cc(O)cc(c12)cccn2 -MOL_01_036093,C1=CC(=C1F)C(=O)N/N=C/C=C/c(c2)ccc(c23)OCO3 -MOL_01_036094,CCN(CC)C(=O)CN(C)C(=O)c1cc(ns1)-c2cccc(F)c2 -MOL_01_036095,COc1c(OC)ccc(c12)c(=O)cc(s2)/C=C/S(C)O -MOL_01_036096,c1ccccc1C(C)OCNC(N2O)=NN(O)c(c23)cccc3 -MOL_01_036097,c1ccccc1CN2CCC(CC2)c3nncs3 -MOL_01_036098,Cc1nc(ns1)C(CC)NC(=O)Nc2ccc(OC)c(C)c2 -MOL_01_036099,n1cccc(c12)ccc(c2)C(NC)c3ccc(F)c(c3)CNCCN4CCOCC4 -MOL_01_036100,CC(C)C/C(C)=N/N=C1\NCC(=O)N1Cc2cccc(c23)C=C3 -MOL_01_036101,c1ccccc1CN(C)c(c2)ccc(c23)cc(c(s3)=O)C(=O)O -MOL_01_036102,CC(C)CC1=C(N=N1)NC(=O)CCC(=O)N2CCN(CC2)c3ccccc3 -MOL_01_036103,CCN1CCN(CC1)C(=O)c(s2)cc(=O)c(c23)cc(C)cc3 -MOL_01_036104,COc1ccccc1CCc2ncc(o2)CCC(=O)N(C)Cc3ccccc3C -MOL_01_036105,COc1ccc(OC)c(c1)NC(=O)/C=C/c2ccc(s2)C -MOL_01_036106,c1ccccc1COCCCc(c(=O)s2)c(O)c(c23)cccc3 -MOL_01_036107,O=C(O)CC(=O)N(CCC)/C=C(\C)CC(c1ccccc1)NCc2ccc(F)cc2 -MOL_01_036108,Fc1ccccc1C(=O)Nc(c2)ccc(c23)COS3O -MOL_01_036109,C12=CC=CC(O1)=C2/C(=N/OCC)CCN3CCN(CC3)c4ncccn4 -MOL_01_036110,CNc1ccc(cc1)C#Cc2cnc(c(O)c2)OCCO -MOL_01_036111,COc1ccccc1NCCNCCCNc2c(C)cccc2C -MOL_01_036112,CCCCCCCC1=C(C(O)CC(=O)C1)C2CC=CC(=O)O2 -MOL_01_036113,c1cccc(c12)c(cc(s2)=O)NCc3ccccc3 -MOL_01_036114,COc(c1)ccc(c12)N(O)C(C#N)=C(N)N2O -MOL_01_036115,O1CCOC1CN(C)COc2ccc(c(O)c2N)C(=O)c3ccccc3 -MOL_01_036116,CNc1ncc(cc1)CC(C)(C)NCC(O)(CC)CNc2ccccc2NC -MOL_01_036117,CCN1C(=O)C/C(C1=O)=C\c2ccc(cc2)OCC(O)CNCc3cccnc3 -MOL_01_036118,c1ccccc1CN(C(C)C)C(=O)COC(=O)c2cnc(N)c(N)c2 -MOL_01_036119,C1COCCC1CN2CCC(C2=O)CCCNC(C)CCCC(=O)c3c(C)cccc3C -MOL_01_036120,CC1(C)OC=C(C1=O)/C(C)=C/COc(c2)ccc(c23)ccc(s3)=O -MOL_01_036121,CC(C)CC(N)COc1cccc(C)c1Oc2cccc(N)c2 -MOL_01_036122,CC(C)c1nsc(n1)CCC(=O)Nc2cc(F)ccc2F -MOL_01_036123,Cc(c1)c(C)cc(c12)N(O)C(N)=C(C#N)N2O -MOL_01_036124,c1ccoc1CNCc2ccc(OC)c(c2)OCc3ccc(c4)c(c5c34)cccc5 -MOL_01_036125,Cc1ccc(cc1C)NS(=O)(=O)c(c2)ccc(c2=3)=NC(N3)=O -MOL_01_036126,c1ccccc1NC(=O)c(c(=O)s2)cc(c23)cccc3 -MOL_01_036127,c1ccccc1C(CC(=O)OC)NC(=O)NCCc2cc(OC)c(OC)c(c2)OC -MOL_01_036128,C=1C=CC(C12)=NC(=NC2=O)c3ccc(cc3)OCc4ccccc4 -MOL_01_036129,COc1ccccc1-c(c2=O)csc(c23)cc(O)cc3 -MOL_01_036130,CC(C)CC(S(O)O)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl -MOL_01_036131,CCOC(=O)/C(F)=C/c1cccc(c1)C2(C)CCCC(=N2)N -MOL_01_036132,Nc1cccc(N)c1Cc2nc(F)cc(n2)-c3ccccc3 -MOL_01_036133,c1ccccc1C(=O)N(CC(C)(C)NCC)Cc2ccc(C=O)cc2 -MOL_01_036134,CCOC(=O)NC(=O)/C(C(=O)NC=O)=C/NNc1ncc(C(F)(F)C)cc1F -MOL_01_036135,COC(=O)c1ccc(cn1)CN(C)Cc2ccc(cc2)C3=CCCN(C)C3 -MOL_01_036136,CC(C)S(=O)(=O)CC(C)(O)C(=O)Nc1ccc(CN)c(C(Cl)(Cl)Cl)c1 -MOL_01_036137,c1ccnn1CCCNC(=O)c2cc(sn2)COc3ccc(F)cc3Cl -MOL_01_036138,c1ccccc1S(=C)(N2C)Nc(c23)cc(cc3)OC -MOL_01_036139,CCC(=O)NCCC(=O)NCCNC1(CCCCC1)CNCc2ccncc2 -MOL_01_036140,CC(C)Oc1ccccc1NCCNCCCC(=N)CN2CCCCC2=O -MOL_01_036141,CC(=O)OC/C=C(/C(=O)OC(C)(C)C)N1CC(C1=O)OC(=O)c2ccccc2 -MOL_01_036142,COc1cnc(nc1)-c2ccc(cc2)NC(=O)Nc3cccc(c3)C(=O)N -MOL_01_036143,CCc1c(Cl)nc(NC)nc1NCc2ccc(F)cc2 -MOL_01_036144,CCNC(=O)C1(C)CCN(C1)C(=C)c2ccc(cc2)OC3C=N3 -MOL_01_036145,CN(C)c1nc(O)c(S)c(n1)-c2ccccc2 -MOL_01_036146,c1cccc(c12)N(O)C(=C(C)N2O)/C=N/NC(=O)c3ccccc3 -MOL_01_036147,Cc1ccc(cc1)-c2nc(cs2)Cn3nc(N)cc3C -MOL_01_036148,Cc1ccccc1CC(C(=O)OCC)CCCNCc2ccc(cc2)NC(=O)C -MOL_01_036149,C=C(C)c1ccc(O)c(c1)/C=C/CC(=O)CCC(=O)Cc2cccc(C)c2 -MOL_01_036150,O=c1ccc(C(=O)O)cn1CC(=O)Cc2cc(O)ccc2O -MOL_01_036151,CCc1ccc(cc1)OCC(=O)Nc2cc(S(O)O)ccc2O -MOL_01_036152,COc1ncc(c(n1)OC)/C=C/C(=O)c2ccccc2OC -MOL_01_036153,CC(=O)NC(=C)Nc1ccc(cc1)NC(=O)COc2ccc(N)cc2C -MOL_01_036154,O=C(N=1)C(=O)N=c(c12)ccc(c2)S(=O)(=O)N3CCCC3 -MOL_01_036155,C#CCOc1ccc(cc1)-c2nsc(n2)-c3ccc(Cl)cc3N -MOL_01_036156,Cc1cccc(C)c1NCC(CN2CCC2)C(=O)Nc3cc(C#N)cc(C(F)(F)F)c3 -MOL_01_036157,Clc1ccccc1-c2sc(C)c(n2)CSCC(=O)NC3CC3 -MOL_01_036158,c1ccccc1C2NC(CS2)CN3CCN(CC3)c4ccccc4 -MOL_01_036159,COc1c(C)ccc(O)c1C/C=C(\C)CCC(=O)NC(C=O)CC(C)C -MOL_01_036160,CCC(C=O)NC(=O)c1cccc(C(Cl)(Cl)Cl)c1Cl -MOL_01_036161,O=C(O)c1ccc(cc1)N2C(=O)C/C(C2=O)=C\C=C\c3ccccc3 -MOL_01_036162,CCCOc1ccc(cc1)C2C(=O)CC(C2=O)C3CCC(C(=O)O)CC3 -MOL_01_036163,Cc(c1)ccc(c12)N(O)N=C(N2O)CCO -MOL_01_036164,NC(N=1)=NC(=O)C(C12)=NC(=N2)SCc3ccccc3 -MOL_01_036165,CCOc1ccc(cc1OCC)CCCC(=O)c2ccc(O)nc2 -MOL_01_036166,CC(C)(O)CC(C)CCNC(C)c1ccc(cc1)-c2ccc(C(=O)N)cc2 -MOL_01_036167,Cn1ccnc1SC(F)(F)c(s2)nc(c23)cccc3 -MOL_01_036168,CNCCc1cnc(N(C)C)nc1Nc2ccc(C#N)cc2 -MOL_01_036169,CCC(=O)C(C)c1ccc(C)cc1C(=O)c2c(O)cccc2O -MOL_01_036170,Cc1cccc(c1)CN2C(=O)C/C(C2=O)=C\c3cccc(N)c3 -MOL_01_036171,Cc1ccc(c(O)c1)NC(=O)CCc2nnc(n2N)C3CCCCC3 -MOL_01_036172,Cc1cc(N)cc(c1)-c2ccc(cc2)Cc3ccc(O)cc3O -MOL_01_036173,c1ccccc1CC(=O)NCCCC(CO)Nc2ccc(cc2)-c3cccc(F)c3 -MOL_01_036174,c1ccccc1C(=O)/C(NCC(=O)OC)=C(/C)OC(=O)c2ccc(F)cc2 -MOL_01_036175,Oc1cncnc1Nc2cccc(C)c2C -MOL_01_036176,c1ccccc1N(C)C(=O)c2ccc(cc2)C(F)(Cl)S(=O)(O)O -MOL_01_036177,CC(=O)Nc1ccc(c(C)c1)C2CNCCO2 -MOL_01_036178,Nc1ccc(cc1)-c(c2O)cc(n23)cccc3 -MOL_01_036179,CC(C)=CCc1c(O)cccc1OCc2cccc(c2)C(O)CO -MOL_01_036180,CC(C)(C)c1cc(O)c(c(c1)CN)OS(=O)(=O)c2ccccc2 -MOL_01_036181,OCCNc(n1)c(CC)nc(c12)ccc(c2)OC -MOL_01_036182,Cc1cc(=O)sc(c12)cc(cc2OC)OC3CCCCC3=O -MOL_01_036183,CCc1nc(ns1)CN(C(=O)C)C2CCN(C2)Cc3cnc(C)cn3 -MOL_01_036184,CCc1ncc(cn1)C(=O)N(C)Cc2cc(ns2)-c3ccncc3 -MOL_01_036185,Cc1sccc(=O)c1OCc2noc(n2)C(=O)NCC(C)C -MOL_01_036186,COc1c(OC)cc(cc1OC)C(O)CCc2cnc(N)nc2N -MOL_01_036187,c1cccc(c12)ccc(c2)CN(CCCCCN)C(=O)CCCC3=CN=C(C3=4)C=CC4 -MOL_01_036188,Oc1cccc(c12)C(OCC(O)CO)c3c(C2=C)c(O)ccc3 -MOL_01_036189,C=CCN(C1=O)C(=O)N=C(C1=2)N=CN2 -MOL_01_036190,CCc1cc(=O)sc(c12)cc3c(c2)c(co3)C -MOL_01_036191,O1COc(c12)ccc(c2)CN(CC)c3ccccc3OO -MOL_01_036192,COc1ccc(Cl)cc1Cn2cc(cc2C)OC(=O)CC(C)(C)C -MOL_01_036193,C=c1n(C)c(=O)/c(n1C)=C/c2ccc(O)c(c2)OC -MOL_01_036194,c1ccsc1C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4 -MOL_01_036195,Clc1ccc(cc1)NC(=O)c2cc(sn2)-c3cccc(O)c3 -MOL_01_036196,Cc1c(O)c(F)cc(c1C)CC(=O)Nc2ccc(O)cc2 -MOL_01_036197,O=NC1=C(C=C1)C(=O)Nc2cccc(c2)N3CCN(CC3)Cc4ccccc4 -MOL_01_036198,C1C(C2)CC(C3)CC1CC23C(=O)NN(C(=O)CC4)C45CCC(CC5)c6ccccc6 -MOL_01_036199,Cc1cc(C)c(CO)c(n1)CCC(=O)NCc2cccc(O)c2 -MOL_01_036200,Cc1cc(O)c(c(=O)s1)C(=O)Nc2ccccc2 -MOL_01_036201,CC(=O)c1cccn1-c(c2)ccc(c23)COS3O -MOL_01_036202,O1COc(c12)ccc(c2)/C=C/C(C)=C/NC(=O)C(O3)COc(c34)cccc4 -MOL_01_036203,COc1cccc(c1)-c2nnc(s2)SCC(=O)NC3CCCCC3 -MOL_01_036204,CN1CCN(CC1)c2ncoc(c23)ncn3 -MOL_01_036205,N12CCN(C(=O)C)/C(C1)=C\c3cccc(c3)Oc4ccc(cc4)/N=C\2S -MOL_01_036206,CCNS(O)CC(C)c1cccc(c1)NC(=O)c2ccc(F)cn2 -MOL_01_036207,COc(c1)ccc(c12)N(O)c3c(N2O)cc(C#N)c(c3)N -MOL_01_036208,N#CC(C#N)=CNc(c1)ccc(c12)sc3c(c2=O)cccn3 -MOL_01_036209,c1ccccc1Oc2cc(C)c(cc2)OC/C(F)=C/CN -MOL_01_036210,O=C(N=1)C(=O)N=c(c12)ccc(c2)NC(=O)c3cccc(F)c3 -MOL_01_036211,NC(=O)c1coc(c1)-c2ccc(F)c(c2)C#CC3(O)CC(C3)CO -MOL_01_036212,N=1C=CC(C12)C(CCO2)C(=O)NCCc3ccc(Cl)cc3Cl -MOL_01_036213,OOc1c(CO)ccc(c1OC)OCOC(O)c2ccccc2 -MOL_01_036214,C1CC(O)=C(C123)C=C(CC2)C(C3)=C(c4ccc(O)cc4)c5ccc(O)cc5 -MOL_01_036215,O=C(N=1)N=c(c12)ccc(c2)C3=NN=C(SC3)Nc4ccccc4 -MOL_01_036216,c1ccccc1/C=C(\C)/C=C2\CC(=O)N(C2=O)NC(=O)c3ccncc3 -MOL_01_036217,CCC(CO)NC(=O)c1csc(n1)COc2cccc(F)c2F -MOL_01_036218,CNc1ccc(cc1)C(=N)N/N=C/c(c2)ccc(c23)n(nn3)N -MOL_01_036219,Oc(c1)ccc(c12)C(C(F)(F)F)(C(F)(F)F)c3cc(O2)c(O)cc3 -MOL_01_036220,C1=CC=C1S(=O)(=O)NC2CCN(C2)CCOc3ccccc3-c4ccccc4 -MOL_01_036221,O=C1C=CC=C1c2ccc(cc2)C(=O)NC34CC5CC(C3)CC(C5)C4 -MOL_01_036222,CCOC(=O)c1ccc(s1)CNC(=O)c2ccc(C)nc2 -MOL_01_036223,N1=CCC(N12)N(CC)C(=O)C(C2=O)CC -MOL_01_036224,c1ccccc1C(NC(=O)C)C(C=O)OC(=O)CCc2ccccc2 -MOL_01_036225,O=C(N=1)N=c(c12)cccc2Oc3cccc(c3)NS(=O)(=O)CCc4ccccc4 -MOL_01_036226,CC(=O)Nn1c(=O)/c(sc1=C)=C/c2ccc(O)cc2 -MOL_01_036227,COc(nc1)cc(c12)Oc3c(C=C2)nccc3 -MOL_01_036228,COc1cc(OC)c(OC)cc1/C=N/CC(=O)c2ccccc2 -MOL_01_036229,CC(=O)c1ccc(cc1O)OCCCOc2ccc(cn2)OCC(=O)O -MOL_01_036230,CN1CCN(CC1)c2ccc(Cl)cc2NC(=O)NCc3ccsn3 -MOL_01_036231,O=C(N=1)N=c(c12)ccc(c2)Nc3nccc(n3)NCCc4ccccc4 -MOL_01_036232,C1CCC1c2cc(C)nc(n2)C(CC3)CCC34OCCCC4O -MOL_01_036233,CC(C)C(C)C(=O)NCC(=O)NCCc1ccc(cc1)-c2ccco2 -MOL_01_036234,Cc1cc(O)nc(c1C#N)NCC(=O)OCc2ccccc2 -MOL_01_036235,CN(C)c1cccc(c1)-c2nnc(s2)SCCCC#N -MOL_01_036236,O=COCCOc1cccc(c1)C(O)C2(CCC2)c3ccc(Cl)cc3 -MOL_01_036237,Cc1cc(C)nc(n1)C2CCN(C2)C(=O)c3cncs3 -MOL_01_036238,COC(=O)NCCC(=O)NC(C(F)(Cl)Cl)c1ccc(Cl)cc1 -MOL_01_036239,COC(=O)c1ccc(s1)CN(C(=O)C)c2ccccc2 -MOL_01_036240,Cc1cc(O)nc(n1)CCCOc(c2)ccc(c23)CCC3 -MOL_01_036241,c1ccsc1C(=O)N2CCN(CC2)C(=S)Nc3ccc(F)cc3 -MOL_01_036242,c1cccc(c12)ccn2CC(C(=O)OC=C)CC(=O)OCc3ccccc3 -MOL_01_036243,Cc1cc(C(C)(C)C)cc(CN)c1OCC(=O)N -MOL_01_036244,c12c(c1)c(C)c(c2C)NC(=O)CCCN -MOL_01_036245,C=CCc1c(O)ccc(c12)ccc(s2)=O -MOL_01_036246,COc1cc(OC)cc(c1)-c2cn(sc2=O)CNC(=O)C -MOL_01_036247,N=C(N)Nc1ccc(cc1)-c2cc(ns2)C(=O)Nc3cccc(Cl)c3 -MOL_01_036248,c1ccccc1N(C2=C(C)C=C2)C(=O)OCC3CCC(CC3)COCC(=O)O -MOL_01_036249,COC1=C=C=C(C=C1)C2CCN(CC2)CC3CCC(C3)NC(=O)/C=C/c4cc(F)c(F)c(F)c4 -MOL_01_036250,O=C(N=1)N=c(c12)ccc(c2)C3=NN=C(SC3)NCCc4ccccc4 -MOL_01_036251,NS(=O)(=O)c1ccc(cc1)-c2cnc(s2)C3CC3 -MOL_01_036252,CCCCCCCCC(O)c1cc(OC)c(c(=O)s1)CO -MOL_01_036253,O=C(N=1)N=c(c12)ccc(c2)C3=NN=C(SC3)NCc4ccccc4 -MOL_01_036254,Cc1cc(ns1)-c2nnc(s2)SCc3ccccn3 -MOL_01_036255,Oc1cc(ccc1)C(=C)C/C=C/C(O)Oc(c2)ccc(c23)OOC3 -MOL_01_036256,c1ccccc1C(CC)c2cc(O)nc(n2)CC(C)C -MOL_01_036257,O=Cc1cc(cc(C(Cl)(Cl)Cl)c1O)-c2cccnc2 -MOL_01_036258,O=C(O)CCn1c(=O)/c(sc1=C)=C/c2ccc(C(C)C)cc2 -MOL_01_036259,c1cccc(c12)sc(cc2=O)/C=C/c(c3)ccc(c34)OCO4 -MOL_01_036260,COc1ccccc1C(=O)OC(C(F)(O)O)NC(=O)O -MOL_01_036261,CCOc1cc(ccc1O)/C=C/c(c2)cc(C(=O)O)c(c23)cccc3 -MOL_01_036262,c1cc(F)cc(c12)c3c(cc2C)nc(N)nc3F -MOL_01_036263,Oc1c(N)cc(cc1N)C(=O)Nc2ccc(C(=O)O)cc2 -MOL_01_036264,OC(O)(O)C(=O)CN1C(=O)/C(CC1=O)=C/c(c2)ccc(c23)cccc3 -MOL_01_036265,Clc1ccc(cc1Cl)-c2nsc(n2)C3COCCO3 -MOL_01_036266,N=C(N)NCCCCNC(=O)C(O)Cc1ccc(cc1)-c2ccccc2 -MOL_01_036267,Oc1cnc(cc1)Cc2cc(N)cc(c2)Oc3ccc(O)cn3 -MOL_01_036268,CCOc1ccc(cc1)OCc2ccc(s2)C(=O)N3CCCC3 -MOL_01_036269,COC(=O)c1ccc(nn1)Oc(c2)ccc(c23)COS3O -MOL_01_036270,c1ccoc1CNC(=O)CCC2CCN(CC2)c3cccc(F)c3 -MOL_01_036271,Cc1cc(=O)sc(c12)cc(cc2)OCc3ccc(cc3)Cn4cncn4 -MOL_01_036272,N#CC(N1O)=C(N)N(O)c(c12)cc(F)cc2 -MOL_01_036273,CNC(=O)C(C)CNC(=O)c1csc(n1)COc2cccc(F)c2F -MOL_01_036274,CO/N=c\1c(cccc2)c2c(\ccn(c13)ccn3)=N\OC(C)c4ccc(C(F)(F)F)cc4 -MOL_01_036275,Clc1ccccc1NC(=O)CC2CC(=NC2=O)N3CCOCC3 -MOL_01_036276,C/N=C1/CC(C(=O)N1C)CC(=O)Nc2ccccc2O -MOL_01_036277,Clc1c(Cl)cccc1NC(=O)NCCNC(=O)NC2CC2c3ccccc3 -MOL_01_036278,c1cccnc1CC(=O)NCCCCNC(CO)Cc2ccc(cc2)-c3ccc(F)cc3 -MOL_01_036279,c1ccc(C(=O)O)c(c12)cccc2NC(=O)CNCCCN(CCO)CCO -MOL_01_036280,CCOc1cc(Cl)cc(c1O)/C=N/c(c2)ccc(c2=3)=NC(N3)=O -MOL_01_036281,CCCCNC(=O)N/N=C/c(c1)ccc(c12)N(O)C(C)=C(C)N2O -MOL_01_036282,CC(C)CS(O1)(O)OCc(c12)cc(cc2)C(O)CNC(C)(C)C -MOL_01_036283,Cc1ccc(cc1)Oc2ccc(cc2)CC3CCC(O)=C(C3=O)C(=O)CCC(=O)O -MOL_01_036284,COC(=O)c1ccccc1CCNC(=O)/C=C/c2cc(Cl)ccc2N -MOL_01_036285,c1cc(O)cc(c12)CC(C)=C(C=C)C2c3ccc(OO)cc3 -MOL_01_036286,Cc1cccc(C)c1C(C(=O)C)c2ccc(C(O)(O)O)cc2O -MOL_01_036287,COc1ccccc1S2(NCCO2)c3ccccc3OC -MOL_01_036288,CCCCn1c(C)nnc1-c2ccco2 -MOL_01_036289,COc1ccc(cc1F)CN(C)CC(=O)c(c2)ccc(c2=3)=NC(N3)=O -MOL_01_036290,O=C1N=NC(=N1)CCCNC(=O)c2ccc(Cl)cn2 -MOL_01_036291,COc(c(O)c1)cc(c12)sc(=O)cc2-c3ccc(O)cc3 -MOL_01_036292,c1nncn1NC(=C)Nc2cccc(c2)-c3nnc(o3)C -MOL_01_036293,NCCCCN(C)c(c1)ccc(c12)C(=O)N=NC2=O -MOL_01_036294,c1cncc(c12)cc(OC)c(c2)NC(=O)Nc3ccc(C(F)(F)F)cc3 -MOL_01_036295,CNc1cccc(c1)Nc2cc(ncn2)NC(=N)CCCC(=N)N -MOL_01_036296,Cc1ccc(cc1)N2CC(O)COC\2=N/c3ccccc3 -MOL_01_036297,CCCc1ccc(c(c1)OC)OCc2ccc(s2)C(=O)OC -MOL_01_036298,COc(c1Cl)sc(=O)c(c12)cc(cc2)NCc3ccccc3 -MOL_01_036299,ONC(=O)CCc(c(=O)s1)cc(c12)cc(Cl)cc2 -MOL_01_036300,Cc1ccc(cc1)C/C=C/c2ccc(O)c(C)c2O -MOL_01_036301,COC(=O)CC(CC)C(=O)Nc1ccc(cc1)-c2ccccc2S(=O)(=O)C -MOL_01_036302,Oc(n1)c(O)nc(c12)cc(Cl)cc2C(O)(O)O -MOL_01_036303,COc(c1)ccc(c12)cc(c(s2)=O)Cn3ccnc3 -MOL_01_036304,Cc1ccc(cc1)C2=NC(=O)/C(C2)=C\c3cccnc3 -MOL_01_036305,C/C=C(\C(=O)O)CC(=O)CNC(=O)C(NC)c1ccccc1 -MOL_01_036306,CCCCOC(=O)COc1ccc(cc1C)Oc2cc(OC)cc(n2)OC -MOL_01_036307,CNc1cc(/C=C(/C#N)C(=N)N)cc(c1N)CCCc2ccccc2 -MOL_01_036308,CCc1ncc(s1)NC(=O)CC(C)c2ccccc2 -MOL_01_036309,Cc1csc(c12)nc3c(c2)c(C)cc(s3)=O -MOL_01_036310,Cc1nsc(C)c1CC(=O)NCc2c(F)cccc2Cl -MOL_01_036311,COCC(=C)Cc1ccc(cc1O)CCc2ccc(O)cc2 -MOL_01_036312,O=C(O)CCN1C(=O)/C(CC1=C)=C/c2ccc(Cl)c(N)c2 -MOL_01_036313,n1cnc(n12)ccc(n2)C(CC)Cc3cccc(O)c3 -MOL_01_036314,Nc1ccc(cc1C)NC(=C)OCCc2ccccc2OC -MOL_01_036315,CCCN1CCN(CC1)C(=O)c2cc(sn2)COc3ccc(F)c(F)c3 -MOL_01_036316,Nc1ccccc1COc2c(N)cc(cc2OCC)CNCc3ccccc3 -MOL_01_036317,CCOc1ccc(cc1)-c2ccc(nn2)CCc3ccccn3 -MOL_01_036318,CCNC(=O)CNC(=O)C(CC)CCCc1ccc(c(F)c1)-c2ccccc2 -MOL_01_036319,C=C(O)CCC(=C)c1ccc(O)cc1 -MOL_01_036320,C=C1N(C)C(=O)C(=C(O)N1C)C(=O)NC2CCCCC2 -MOL_01_036321,Cc1cccc(n1)COc2ccc(O)c(C(=O)N)c2O -MOL_01_036322,OCC1N=C(CC1C)c(c(O)c2)cc(c23)cccc3 -MOL_01_036323,Clc1ccc(cc1)-n2nnnc2-c3ccns3 -MOL_01_036324,OC1CCCCN1[N+]([O-])(N2CCCCC2)CN3CCN(CC3)c4ccccc4 -MOL_01_036325,Cc1cc(=O)sc(C)c1C(=O)N2CCN(C)CC2 -MOL_01_036326,CCN1C(=O)CC(C(=O)NC)CC\1=N\c2cc(Cl)c(O)c(Cl)c2 -MOL_01_036327,OCC(C)C(=C)c(c1O)c(O)cc(c12)cc(C)cc2 -MOL_01_036328,CCCOC(=O)Nc1ccc(cc1)/C=C/C(=O)N2ONc(c23)cccc3 -MOL_01_036329,C1CCCCC1C(C(=O)OC)NCCCN(CC2)CCC2(O)CCCc3ccccc3 -MOL_01_036330,Nc1ncnc(c1)OCC(C)c2ccc(cc2)C3CCC(CC3)CC(=O)O -MOL_01_036331,O=CCCCCCC(C(=O)O)CC(=O)C1C=C(OC1)c2ccccc2O -MOL_01_036332,CC(=O)N1CCN(CC1)Cc2cc(=O)sc(c23)cc(C)cc3 -MOL_01_036333,CCc1ccc(OC)cc1-c2cccc(O)c(=O)c2 -MOL_01_036334,C1CCCCC1(/N=C/N)NOCCCCCCNC(=O)c2ccccc2 -MOL_01_036335,COC(OO)C/C(=C/C)c1ccc(C)cc1Oc2ccc(O)cc2 -MOL_01_036336,COC1=C(C=C1)CNC(=O)C2CCCN2C -MOL_01_036337,COc1cccc(c12)\C=N\NC(=O)CCCC(=O)N\N=C\c3cccc(c3)O\C=C\C=C\2 -MOL_01_036338,COc(c12)ccc(c1)c=3c(c2)C=C(N3)N/N=C(\C)COc4ccccc4 -MOL_01_036339,CC(C)Oc1cccc(c1)C(=O)NC2=NCCC2 -MOL_01_036340,Nc1ccccc1/C=C2\CC(=O)N(C2=O)CCNC(=O)CN3CCCCCC3 -MOL_01_036341,CCOC(=O)/C(=C\C)C(O)c1ccccc1N -MOL_01_036342,COC(=O)C1CC(=O)OCC(O)=C1/C=C/CCCC(=O)OC2(C)C=C2 -MOL_01_036343,COc1ccccc1NCCNCCCOC2CCN(C(=O)C(F)(F)F)CC2 -MOL_01_036344,CCOC(=O)C1=C(C(=O)OCC)C(=C1)NC(=O)CCN2CCN(C)CC2 -MOL_01_036345,O=C(N=1)N=c(c12)ccc(c2)NCc3ccc(o3)-c4ccccc4 -MOL_01_036346,C1CCc(c12)ccc(c2)CC(C(=O)CC)Cc3cnccc3C(=O)OC -MOL_01_036347,CC(C)C(C1)CC(=O)C(C1=2)=CC(\N2)=N/c3ccc(O)cc3 -MOL_01_036348,CC(Cl)(C)c1cc(Cl)cc(c1)Nc2ncc(cn2)C(=O)NO -MOL_01_036349,Oc1ccc(cc1)-c2cc(C(CC34)C(C3)CC4)ccc2O -MOL_01_036350,O=C(O)CCc1c(Cl)ccc(c12)COS2O -MOL_01_036351,Cc1cc(ns1)NC(=O)c2cc(F)c(F)cc2Cl -MOL_01_036352,COc(c1)cc(OC)c(c12)c(=O)sc(c2)CC(O)C(Cl)Cl -MOL_01_036353,O=C(C)N1N=C(NC(=O)C)CC12CCCCC2C(C)(C)C -MOL_01_036354,c1cccnc1/C=N/NC(=O)CN2CCC(CC2)Cc3ccccc3O -MOL_01_036355,c1cccnc1COc2cc(C)ccc2/C(=N/O)NCc3ccccc3 -MOL_01_036356,Cc1cccc(c1)CCc2nnc(n2C)NCC(=O)N3CCCC3 -MOL_01_036357,CC(C)(C)CCNc1nccc(n1)C2=CN=NC2=O -MOL_01_036358,CC1=C(C1)C(=O)OC(C(=O)OC)Cc2ccc(OC)cc2 -MOL_01_036359,CCOc1ccc(cc1)Cc2c(Cl)nc(CC)nc2OC -MOL_01_036360,CC(C)CNCC(F)C(O)C(=O)N(C)Cc1cccc(c12)cccc2 -MOL_01_036361,Oc(c1)ccc(c12)C2C(C(=O)O)/N=C/c3ccccc3O -MOL_01_036362,CNC(=O)c1ccc(nc1)/C=C/c2ccccc2 -MOL_01_036363,COCOc1cccc(c1)C(=O)/C=C/c(c2)ccc(c23)COS3O -MOL_01_036364,Cc1nsc(c1Cl)C(=O)Nc2ccc(F)cc2F -MOL_01_036365,C1C(C2)CC(C3)CC1CC23CNC(=O)C(=O)NOCc4ccc(c5)c(c6c45)cccc6 -MOL_01_036366,C=1N=NC(C12)=NC(=C2C)NCc3ccccc3 -MOL_01_036367,Oc1ccc(cc1)NC2=NC(=O)C(C2)Cc3ccc(O)cc3 -MOL_01_036368,CCN(C(C)C)c1cccc(c1O)-c2cccc(O)c2 -MOL_01_036369,CCc1ccc(cc1)/C=C2\CC(=O)N(C2=O)CCC(=O)NC3=NCCC3 -MOL_01_036370,C1CC1CN(CCC)C(=O)/C=C/c2ccc(cc2)C(=O)Nc3cccc(C)c3 -MOL_01_036371,O=C(O)CCc1ccc(F)c(c12)COS2O -MOL_01_036372,CCc1nnc(s1)N2CCN(C(=O)C2)c3ccccc3 -MOL_01_036373,N=1C=NC(C12)=NC(=NC2=O)NCCc3ccc(O)cc3 -MOL_01_036374,O=C(N=1)N=c(c12)ccc(c2)OCCN3CCN(CC3)c4ccc(Cl)cc4 -MOL_01_036375,Cc1cccc(c1)NC(=O)COCC(=O)NCc2cccc(c2)C(O)(O)O -MOL_01_036376,C=C(C)c1ccc(c(C)c1)CC(O)c2cc(OO)c(OC)cc2C -MOL_01_036377,CCCCN(C)C(=O)COc1snc(C(F)(Cl)Cl)c1C -MOL_01_036378,CCOc(n1)ccc(c1=2)=NC(=O)C(N2)=O -MOL_01_036379,Oc1ccc(cc1)/C(C)=C/OCO/C=C(\C)c2ccc(O)cc2 -MOL_01_036380,C1CCCCC1NC(=O)CC(c2cccs2)Cc3ccccc3 -MOL_01_036381,CCC(CC)CN1C(=O)C/C(C1=O)=C\c2ccc(O)c(N)c2 -MOL_01_036382,NCc1ccc(cc1)C(=O)/N=C(CCC2)\NC23CCCCO3 -MOL_01_036383,C1CCCN1Cc2cc(N)c(cc2)Oc3cccc(n3)CO -MOL_01_036384,O=C(O)c1ccc(cn1)Cc2cccc(c2)Cc3ccccc3C(=O)O -MOL_01_036385,CC(C)(C)OC(=O)C1CCN(CC1)c2ccc(cc2)C(=O)C(C=C34)=CC(C3)=C4O -MOL_01_036386,CC(=O)c1ccc(cc1)-c2cc(N)cc(c2)Nc3cc(C)cc(N)c3 -MOL_01_036387,CCCNC(=O)NC(C#N)Cc1ccc(cc1)-c2ccccc2C(F)(F)F -MOL_01_036388,c1ccccc1Cc2nc(C#N)c(s2)NCCCn3ccnc3 -MOL_01_036389,CC(C)NC(=O)c1cc(sn1)-c2ccc(cc2)NC(=N)N -MOL_01_036390,Cc1ccc(cc1)-c2cc(sn2)CNC(=O)N3CCC(O)CC3 -MOL_01_036391,CCCCO/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N -MOL_01_036392,N1C(=O)C(=O)N=c(c=12)nccc2CC -MOL_01_036393,c1ccccc1C(O)(CCNCC)CC(=O)c2ccccc2 -MOL_01_036394,O=C1CCCC1NC(=C)NC(=O)c2ccc(OC)cc2 -MOL_01_036395,CC(C)(C)C(=O)OCn1c(nsc1=O)-c2ccncc2 -MOL_01_036396,Cc1ccc(cc1C)OCc2nc(ns2)-c3cccnc3 -MOL_01_036397,Oc1nc(F)c(F)c(c1F)NCCCNc2c(F)c(F)nc(Cl)c2F -MOL_01_036398,C=1C=CC(C12)=NC(=NC2=O)c3ccccc3 -MOL_01_036399,Clc1ccc(cc1)C2=C(C)N(O)C=C(N2O)c3ccccc3 -MOL_01_036400,c1ccccc1C(N)C(=O)NCC(O)CN(NC2)Cc(c23)cccc3 -MOL_01_036401,CCCc1ccc(c(O)c1)NC(=O)CNCc2ccccc2 -MOL_01_036402,Fc1cc(cc(c1)C)NC(=C)NCc2nc(F)cnc2N -MOL_01_036403,Cc1ccccc1C(=O)N/C=C(\C)c2ccc(cc2)CC(=O)n3cccn3 -MOL_01_036404,CC(=O)Nc1cccc(c1)-c2nsc(=O)s2 -MOL_01_036405,C=C(O)/C=C1\CCCC1Cc2ccc(O)c(c2)COC -MOL_01_036406,OC(Cl)(Cl)c1cc(ccc1)C(=O)NCc2cccnc2 -MOL_01_036407,c1ccccc1CCC(CC)Cc2nnc(s2)CCC(=O)N3CCCCC3CCO -MOL_01_036408,c1ccccc1CN(C)CCNC(C(=O)NC=O)c2ccc(cc2)Oc3ccccc3 -MOL_01_036409,Nc1ccccc1/C=C/C(=O)c2ccc(cc2)CC3CC(=O)NC3=O -MOL_01_036410,COc(c1)ccc(c12)cccc2CC(=O)NCCC3=NC(=O)N=N3 -MOL_01_036411,CC(=O)OCCOC(C(C)O)Oc1cc(ccc1F)COC(=O)c2ccccc2 -MOL_01_036412,CCCN(O)n(nc1)cc(c12)c3c(c2)cccc3 -MOL_01_036413,CCCC(=O)c1cccc(c1)C(=O)OCC(=O)Cc2ccccc2C -MOL_01_036414,C=C1CCC(=O)N1CC(=O)NC(=O)CC2CCCC2 -MOL_01_036415,Cn1c(C)ncc1CN(Cc2sc(C)cc2)CCCN3CCOCC3 -MOL_01_036416,N#Cc1cccc(Cl)c1-c(c2)ccc(c2=3)=NC(N3)=O -MOL_01_036417,CSCCC(C(=O)OC)OS(=O)(=O)c(c1)ccc(c12)OCCO2 -MOL_01_036418,C1COCCC1CC(=O)Cc2cc(-c3ccc(O)cc3)cc(c2)-c4ccc(O)cc4 -MOL_01_036419,Cc1nc(C)cc(c1CC)CCC(=O)c2cccnc2 -MOL_01_036420,COc1ccc(cc1)/C=C2/CC(=NC2=O)c3ccncc3 -MOL_01_036421,C=1N=NC(C12)=NC(=S)N=C2N/N=C/c3cccs3 -MOL_01_036422,Cc1nsc(C)c1CC(=O)NCc2ccnc(c2)OCC(F)(F)F -MOL_01_036423,C1CC1C(C2CC2)CNC(=O)CCc3cccc(c3)-n4cncn4 -MOL_01_036424,CC(=O)CCCC(=O)NC/N=C(\c1ccccc1)c2ccccc2NCC(=O)N -MOL_01_036425,O=C(C)C(N1O)=C(C)N(O)c(c12)cccc2 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-MOL_01_036518,CC(O)(O)c1cc(CO)ccc1-c2ccc(O)cc2 -MOL_01_036519,Clc1cc(ccc1)N(C)CCNCCCCNC(=O)c2ccoc2 -MOL_01_036520,Cc1ccccc1CC(C2)CCc(c23)cc(N)cc3N -MOL_01_036521,C=1N=NC(C12)=NC(=O)N=C2N/N=C/c3ccccc3 -MOL_01_036522,O=CNCCCCC/C(=C1\C2=CC=C3C(C124)=C4)CNCCCCCNC(=O)/C=C\3 -MOL_01_036523,CN(C)S(=O)(=O)Cc1nsc(c12)ccc(F)c2 -MOL_01_036524,CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)[N+]([O-])(NC(C)C)NC(C)C -MOL_01_036525,COc1cccc(OC)c1-c2ccc(CN)c(c2)C(O)(O)O -MOL_01_036526,CCOCCOCOCc1ccccc1C(CC(=O)O)c2ccc(O)cc2 -MOL_01_036527,Cc1cc(OO)c(OO)cc1C(=C)CC(O)c2ccccc2 -MOL_01_036528,CCOC(=O)/C=C(\C)NC(=O)NCCC(=O)OCc1cn(nn1)Cc2ccccc2 -MOL_01_036529,NC(=O)c1cnc(s1)C(=O)CCc2ccc(cc2)-c3ccccc3 -MOL_01_036530,CC(C)CC(=O)NC(=C)Nc1cc(C(=O)O)ccc1N -MOL_01_036531,C=C(O)c1cccc(c1)-c2ccc(C)c(c2)CCC(CO)C(C)O -MOL_01_036532,CNCCNCCCCN(C1=O)C(C)SC12CCCC2 -MOL_01_036533,COOc1cc(O)cc(c1)Cc2ccc(cc2)OCOO -MOL_01_036534,OS1OCc(c12)ccc(c2)OCC3CCCCC3 -MOL_01_036535,CCc1nnc(nc1CC)CCC(=O)NCCC2=CCCCC2 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-MOL_01_036555,OOOc1ccc(cc1)CC(=C)C(=C)CCC2OCCC2CO -MOL_01_036556,c1ccccc1CCC(C(O)/C=C/C(=O)OCC)NC(=O)CCc2ccccc2 -MOL_01_036557,ON1C(C)=C(C)N(O)c(c12)cc(C=O)cc2 -MOL_01_036558,O=C(O)COC(=C)/C=C/c1ccc(O)c(C)c1 -MOL_01_036559,CCOC(=O)Nc1ncc(s1)S(OC2(C)C)OC2(C)C -MOL_01_036560,CCc1cccc(c1)-c2cc(CS(=O)(=O)C)cc(c23)cccc3 -MOL_01_036561,O=C(O)C(C)(C)Cc1cccc(c12)COS2O -MOL_01_036562,CC(=O)OC/C(CC)=C(/OC(=O)COC)C(=O)OCc1ccccc1 -MOL_01_036563,CCN(CC)CCNC(=O)/C(O)=C/C(=O)c1ccc(cc1)OC(C)C -MOL_01_036564,CC(=O)NCC(=O)OC(C(=O)NCCC(C)C)Cc1ccccc1 -MOL_01_036565,CC(=O)NC(C)c1ccc(cc1)/C=C/c2cnc(nc2)NC3CCC3 -MOL_01_036566,N=C(N)CCc1cccc(c12)c3c2c(ccc3)CCC(=N)N -MOL_01_036567,Cc1cc(ns1)CN2CCN(CC2)CCOc3cccc(C#N)c3 -MOL_01_036568,Fc1cc(ccc1)OC(CC)CNC(=O)C2=NC(=O)N=N2 -MOL_01_036569,Cc1ccccc1-c2ccc(c(O)c2)Oc3ccc(C#N)cc3N -MOL_01_036570,c1ccccc1N2C(=C)N(N=N2)c3ccccc3OC -MOL_01_036571,COc1ccccc1/C=C/c2cc(=O)c(O)cs2 -MOL_01_036572,Cn1cc(C)c(c1OC)CNCc2ccccc2CO -MOL_01_036573,Cc1ccc(N/C=N/N)cc1NC2CNC2 -MOL_01_036574,O=C(O)CC1CCC(CO1)NC(=O)Cc2ccccn2 -MOL_01_036575,CCC(=O)NC1=CCC(CC1)N2C(=O)CCC2CCCCCCO -MOL_01_036576,CCOC(=O)C1S/C(N=C1C)=C/c2ccc(Cl)cc2 -MOL_01_036577,CCCC(=O)NC(=O)COC(=O)CCC(=O)CCc1ccccc1 -MOL_01_036578,Cc1ccc(C)n1Nc2ccc(cn2)N3CCNCC3 -MOL_01_036579,Cc1cc(c(s1)C)C(=O)OCC(=O)Nc2ccccc2 -MOL_01_036580,NC(=O)CC(O)Cc1ccccc1-c2ccc(Cl)cc2 -MOL_01_036581,Cc1ccc(O)cc1Cc2ccc(cc2)C3NCCOO3 -MOL_01_036582,COCCOc(c(O)c1)cc(c12)cccc2NCCCCCCC(=O)NO -MOL_01_036583,Clc1cc(cc(Cl)c1)N(CC)CC2=CC(=O)N=N2 -MOL_01_036584,c1ccsc1C(=O)/C=C/c(c2)ccc(c23)COS3O -MOL_01_036585,CCOC(=O)Nn1nnc(c12)cccc2 -MOL_01_036586,CCc1nc(ns1)CN2CCCC(C2)N(C)CCn3cncn3 -MOL_01_036587,CNCCCNc1nccnc1CCNc(c2)ccc(c23)cccc3 -MOL_01_036588,C1=CC(=C1O)NC(=O)CCN/C(=N/CC)Nc2cccc(C)c2 -MOL_01_036589,CCc1nnc(s1)C(C)N2CCCN(CC2)C(=O)OCC(C)C -MOL_01_036590,Cc1nnc(n1N)CC(C)C(=O)N(C)C2CCCCC2 -MOL_01_036591,COc1ccc(cc1N)-c2ccc(CN)cc2 -MOL_01_036592,C1CC(N)CCC12C3(CNCC3=O)CC(N2)CC4CC4 -MOL_01_036593,CC(=O)c1cccc(n1)/C=C/c2cccc(c2)CN -MOL_01_036594,COCCNC(=S)N/N=C(\C)c(s1)cc(c12)cccc2 -MOL_01_036595,C1CC1NC(=O)CCc2n(C)c(nn2)Cc3ccccc3 -MOL_01_036596,N#CC(N1O)=CN(O)c(c12)cc(F)c(F)c2 -MOL_01_036597,CC(=O)OC/C=C(/C(=O)OC(C)(C)C)NC(=O)CNC(=O)Cc1ccccc1 -MOL_01_036598,CS(=O)(=O)CCCNC1CCCN(C1)Cc2nsc(n2)C3CC3 -MOL_01_036599,CC(C)c1cc(ns1)C(=O)Nc2cccnc2 -MOL_01_036600,C=Cc1ccccc1/C=C/c2ccc(C(O)(O)O)cc2 -MOL_01_036601,COC(=O)c1ccc(cc1)NC(=O)CCNCc2cccs2 -MOL_01_036602,N#CCCCNC(=O)NCCC(S(=O)=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 -MOL_01_036603,O=C1CCN(CCN1)Cc2nc(ns2)-c3ccc(Cl)cc3 -MOL_01_036604,COC(=O)C1=C(C=C1)/N=C/c2cc(OC)ccc2O -MOL_01_036605,Oc1nsc(c12)cccc2C(F)(F)F -MOL_01_036606,CCCCCCC(C(=O)NO)N(O)c1ccc(OC)cc1 -MOL_01_036607,CC(C)c1ccc(cc1)S(=O)(=O)/N=C(\N=C(/C)N)NCCc2ccccc2 -MOL_01_036608,FC(F)(F)C(F)(C(F)(F)F)c1ccc(cc1)C(C)CCNC(=O)CCCCC(=O)O -MOL_01_036609,On1cnc(c1C)N(O)c2ccccc2 -MOL_01_036610,CCCCC(C(O)C(=O)NO)N(O)c1ccccc1 -MOL_01_036611,CC(=O)c(c(O)c1)cc(c12)ccc(s2)=O -MOL_01_036612,Cc1cc(C)ccc1CC(=C)NOC(=O)c2ccccc2O -MOL_01_036613,Cc1cc(O)ccc1/C(OC(C)C)=C\n2cncn2 -MOL_01_036614,CCn1cc(NC=O)cc1C(=O)N -MOL_01_036615,CC(C)n1ccc(n1)Nc2ccc(C(Cl)(Cl)Cl)cn2 -MOL_01_036616,Cc1ccccc1/C(O)=C/C(C)=N/OCC(=O)Nc2cccc(F)c2 -MOL_01_036617,CC(C)c1cc(ns1)C(=O)Nc2cccc(F)c2 -MOL_01_036618,Fc1ccc(cc1)OCC(=O)NCCNC(=O)OC(c2ccccc2)c3ccccc3 -MOL_01_036619,C=C(C=1)C=c(c12)ccc(c2)CC(=C)N3COOON3 -MOL_01_036620,c1ccccc1Oc2sc(=O)n(n2)-c3ccccc3 -MOL_01_036621,CC(C)=CCOc1ccc(cc1)C/C(=C/O)C(=O)CO -MOL_01_036622,O=C(C1)C(C)C(=O)C1(C(=O)CC)c2ccccc2 -MOL_01_036623,COC(=O)CCc1cccc(c12)COS2O -MOL_01_036624,Cc1cccc(c1)C(=O)/N=C2/NNC(N23)=NCC3 -MOL_01_036625,c1ccsc1C(CC(=C)C)NCCc2ccccc2 -MOL_01_036626,O=C(N=1)N=c(c12)ccc(c2)CNC(=O)CN3CCCCCC3 -MOL_01_036627,c1cccc(c12)N(O)C3=C(N2O)CCC3 -MOL_01_036628,C=C1NC(=O)C(=O)N1c2ccccc2 -MOL_01_036629,c1cccnc1C(=C)Nc2ccc(C)c(C#N)c2 -MOL_01_036630,CCOCOOOC(=C)Cc1cc(OO)cc(c12)cccc2 -MOL_01_036631,c1ccccc1COC(=O)OCCCCC(O)C(=O)N2CCC(F)C2 -MOL_01_036632,Oc1ccc(cc1C)N/C(C)=N/c2cccnc2 -MOL_01_036633,CCOC(O)(C1(C)C=C1)NC(=O)C(C(C)(C)C)C(C)(C)C -MOL_01_036634,Oc1cccc(c1)-c2ccc(cc2)S3(NCCO3)c4ccccc4 -MOL_01_036635,c1ccncc1O/C(=N\C#N)NC23CC4CC(C2)CC(C4)C3 -MOL_01_036636,CNc1ccc(cc1)CCCN2CCC(N)CCC2=N -MOL_01_036637,C=CCOc1ccc(cc1OO)/C=c2/c(C)coc2=C -MOL_01_036638,COc1ccc(C)c(c1)/N=C2\C=CN=C2N -MOL_01_036639,CCC/C(C)=C/CNCC(=O)N(CC(=O)N)CCCCN -MOL_01_036640,B1CCC/C1=C(\C(=O)O)C(=O)/C=C/c2ccco2 -MOL_01_036641,CC(O)CC(=O)NCC(=O)OCOC(=O)OC(C1)Cc(c12)cccc2 -MOL_01_036642,Cc1ccc(o1)C(N=2)=NC(=O)C(C23)=C(c4ccccc4)C(=N3)C(=O)c5ccccc5 -MOL_01_036643,c1ccccc1N(C(=O)N=2)C(=N)C(C23)=NC(=NC3=O)c4c(F)cccc4Cl -MOL_01_036644,C=1N=NC(=O)C(C12)=C(C)N=C2c3cc(S(=O)(=O)C)ccc3Oc4ccc(F)cc4F -MOL_01_036645,CC(C)(C)Nc(n1)c(C)nc(c12)ccc(F)c2C(C=3)=NC(C34)=CC=NC4=O -MOL_01_036646,C1COCCN1Cc2cc(ccc2OC)/C=N/N(C3=O)C(=O)N=C(C3=4)c5c(N4)ccc(c5)C -MOL_01_036647,COc(c1)ccc(c12)N=C3C2=C(N=NC3=O)c4ccco4 -MOL_01_036648,c1ccccc1C(=C(C23)C(=O)N=C(N=2)N)C(=N3)c4ccc(cc4)CCCN5CCOCC5 -MOL_01_036649,CCCN(C1=O)C(=O)N=C(C1=2)N=C(N2)c3cnn(c3)Cc4noc(n4)-c5ccccc5 -MOL_01_036650,COc(c1)ccc(c12)N(O)C(C)=C(N2O)C3=NNC(C3)c4cc(OC)c(OC)c(c4)OC -MOL_01_036651,Clc1ccccc1C(N=2)=NC(C23)=c4c(=NC3=O)cc(cc4)-c5cccnc5 -MOL_01_036652,O=C1N=CC=C(C1=2)N=C(C2)c3cccc(c34)ccc(n4)Oc5ccccc5 -MOL_01_036653,COc1c(OC)cc(cc1OC)C2CC(=NN2)C(N3O)=C(C)N(O)c(c34)ccc(F)c4 -MOL_01_036654,c1cc(Cl)ccc1C(=C(C23)C(=O)N=C(N=2)N)C(=N3)c4ccc(Cl)cc4 -MOL_01_036655,Clc1ccccc1C(N=2)=NC(C23)=c4c(=NC3=O)cc(cc4)-c5ccncc5 -MOL_01_036656,COc(c1)ccc(c12)N=C3C2=C(N=NC3=O)c4ccc(C(F)(F)F)cc4 -MOL_01_036657,COc1cc(F)ccc1N2CCN(CC2)CCCNc3c(C(=O)N(C)C)cnc(n34)ccn4 -MOL_01_036658,CCOC(=O)Cn1nnc(c12)cc(cc2)NC(N3O)=C(C)N(O)c(c34)cc(F)c(c4)OCC -MOL_01_036659,C1CCC1Nc(n2)c(C)nc(c23)cccc3C(C=4)=NC(C45)=NC=NC5=O -MOL_01_036660,CCC1CCCCC1N2C(=O)N=c(c23)cnc=4c3C=CN4 -MOL_01_036661,FC(F)(F)c(c1)ccc(c12)N(O)C(c3ccccc3)=C(N2O)C(=O)NCc4ccccc4 -MOL_01_036662,COc(c1)ccc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3ccccc3OC(=O)C -MOL_01_036663,COc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)N=C(C4)c5ccc(Cl)cc5 -MOL_01_036664,COC(=O)c(c1)ccc(c12)N(O)C(=C(N2O)C(=O)OCC)c3ccccc3 -MOL_01_036665,COc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)N=C(C4)c5ccccc5 -MOL_01_036666,CCN(CC)CCNC(=O)CCCCN(C(=S)N=1)C(=O)C(C12)=Nc3c2cc(cc3)OC -MOL_01_036667,COc(c1)ccc(c12)N(O)C(C(F)(F)F)=C(N2O)C(=O)c3cccs3 -MOL_01_036668,c1ccccc1C(=CN=2)C(C23)=NC(=O)N(C3=O)CCN4CCN(CC4)c5ccccc5Cl -MOL_01_036669,CC1CCCC(CC1)c2ccc(O)c(c23)CC(=O)CO3 -MOL_01_036670,c1ccsc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)cc(F)c(F)c3 -MOL_01_036671,COc(c1)ccc(c12)N=C3C2=NC(=S)N(C3=O)CCCCC(=O)NCCC(C)C -MOL_01_036672,COc(cc1)cc(c12)N(O)C(=C(N2O)C(=O)OCC)c3ccccc3 -MOL_01_036673,C=CCCC(=O)CC1=COC(=CC2=O)C1CC23c4c(cccc4)c5c3cccc5 -MOL_01_036674,c1ccccc1NC(=O)C(N2O)=C(N(O)c(c23)ccc(Cl)c3)c4ccccc4 -MOL_01_036675,CC(C)C(=O)c(c1)ccc(c12)OCC(C2C)CC(=O)CCCOCCO -MOL_01_036676,c1ccnc(c12)c(cc(c2)OC)NC(C)CCCNC(=O)C(N3O)=C(C)N(O)c(c34)ccc(c4)C -MOL_01_036677,O=C1N=NC=C2N=C(C3=C12)c4c(CC3)cccc4 -MOL_01_036678,c1cccc(c12)c=3c(cc2)=C4C(N3)=C(N=NC4=O)c5ccccc5 -MOL_01_036679,c1ccccc1-c2noc(C)c2CNCC(O)c3ccc(O)c(c3=4)=NC(=O)C4 -MOL_01_036680,CCOC(=O)Cn(n1)nc(c12)ccc(c2)NC(N3O)=C(C)N(O)c(c34)cc(F)c(c4)OCC -MOL_01_036681,O=C1N=CN=C(C1=2)N=C(C2)c3cccc(c34)ccc(n4)Nc5ccc(Cl)cc5 -MOL_01_036682,c1cccc(c12)c3c(n2)c(c4c(n3C)cccc4)NCCN5CCOCC5 -MOL_01_036683,C=1N=Nc(c12)nc(=O)n3c2nc(n3)-c4ccccc4Cl -MOL_01_036684,O=c1oc(C(F)(F)F)nc(c12)n(nc2C)-c3ccc(F)c(F)c3 -MOL_01_036685,c1ccoc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)ccc(F)c3 -MOL_01_036686,c1cc(O)ccc1C(=O)C(C=2c(cc3)ccc3O)=NC(C24)=NC=NC4=O -MOL_01_036687,CC(=O)Oc1ccccc1C(=O)NC(N2O)=C(C#N)N(O)c(c23)cccc3 -MOL_01_036688,c1cccc(c12)c(cc(n2)C)COc3ccc(cc3)C(=O)NC4CCOCC4C5=NC(=S)N=N5 -MOL_01_036689,c1cccc(c12)c3c(n2)c(c4c(n3C)cccc4)NCCCN5CCOCC5 -MOL_01_036690,Cc1ccc(cc1)-c(n2)nc(n23)c=4c(nc3=O)N=NC4 -MOL_01_036691,CN(C)CCNC(N1O)=NN(O)c(c12)c3c(cc2)OCCC3 -MOL_01_036692,FC(F)(F)c(c1)ccc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3cccs3 -MOL_01_036693,CC(=O)NC1CCN(CC1)c2ncnc(CC)c2/C=C/c3ccc(N)nc3 -MOL_01_036694,COc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3cccs3 -MOL_01_036695,CCN(CC)CCN(C1=O)C(=O)N=C(C1=2)c3c(N2)cccc3 -MOL_01_036696,CN(C)CCN(C1=O)C(=O)N=C(C1=2)c3c(N2)cccc3 -MOL_01_036697,c1cccc(c12)N(O)C(=C(N2O)C(=O)OCC)c3ccc(OC)cc3 -MOL_01_036698,O1CCc(c12)cc3c(c2)N(O)C(=NN3O)NCCCN4CCOCC4 -MOL_01_036699,Cc(c1)c(C)cc(c12)N(O)C(C#N)=C(N2O)NS(=O)(=O)c(c3)ccc(c34)cccc4 -MOL_01_036700,CCOC(=O)C(N=1)=Cc(c12)c3c(cc2)=CC(=N3)C(=O)OCC -MOL_01_036701,c1ccccc1-c(c2C)nc(n23)c(ncc3)NCCN(C)C -MOL_01_036702,Clc(c1)ccc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3ccco3 -MOL_01_036703,CCc1cccc(c12)c3c(=N2)c=4c(cc3)C(=CN4)C=O -MOL_01_036704,O=C(N=1)N=c(c12)cc(OC)c(n2)NS(=O)(=O)c3cccc(Cl)c3Cl -MOL_01_036705,C=1N=Nc(c12)nc(=O)n3c2nc(n3)-c4ccccc4 -MOL_01_036706,COc1c(OC)ccc(c12)c3c(C(C2)C)c4c(c(c3)OC)cc5c(c4)OCO5 -MOL_01_036707,CC1C(=O)CC(=O)C12Cc3c(C2)cc(cc3)CC(=O)CC(=c(c45)cccc5)C(=O)C=4c6ccccc6 -MOL_01_036708,O=CC1=CN=c(c12)c=3c(cc2)c4c(N3)c(F)ccc4 -MOL_01_036709,CCOC(=O)COc1ccc(c(F)c1F)C(=O)c2cc(CN)ccc2O -MOL_01_036710,CCc(s1)cc(c12)C=CN(C2O)S(=O)(=O)c3ccc(C)cc3 -MOL_01_036711,c1ccoc1-c2nnc(n2CC)CCC(=O)NCc(c3)ccc(c34)OCO4 -MOL_01_036712,CC(C)CC([I](O)O)NC(=O)C(NC(=O)C)Cc1cccnc1 -MOL_01_036713,O=C1N=CN=C(C1=2)N=C(C2)c3cccc(c34)ccc(n4)Cl -MOL_01_036714,C1CCCc(c12)oc(c2C(=O)N)NC(=O)c3ccccc3F -MOL_01_036715,COc(c1)ccc(c12)N(O)C(C)=C(N2O)/C(C)=N/NC(=O)c3ccccc3O -MOL_01_036716,COc1cccc(c1)Nc2c(cc(F)cc3)c3nc(c24)oc(n4)OC -MOL_01_036717,CN(C)CCNC(N1O)=NN(O)c(c12)cc3c(c2)OCC3 -MOL_01_036718,NC(N=1)=NC(=O)C(C12)=NC=C2C(=O)c3cccc(Cl)c3 -MOL_01_036719,O=C1N=C(C(F)(F)F)N=C(C1=2)N=C(C2)c3ccnc(c3)/C=C/c4ccccc4 -MOL_01_036720,O=Cc1cc(ccc1)C(=N2)C(C#N)=C(C2=3)C(=O)N=C(N3)N -MOL_01_036721,CN(C)CCNC(N1O)=NN(O)c(c12)c3c(cc2)CCC3 -MOL_01_036722,c1cccc(c12)N(O)C(C(F)(F)F)=C(N2O)C(=O)N3CCN(CC3)c4ccccc4 -MOL_01_036723,CN1CCN(CC1)c2ccc(cc2)C(C=3)=NC(=O)C(C34)=C(N=N4)N -MOL_01_036724,C=CCCCCCCCCc(n1)nc(n12)c=3c(nc2=O)N=NC3 -MOL_01_036725,Clc1ccc(cc1)C2CC(=CC(=C23)N=NC3=O)c4ccc(F)cc4 -MOL_01_036726,CC(C)(C)C(N=1)=CC(C12)=NC(=O)N(C2=O)CCN3CCN(CC3)c4ccccc4Cl -MOL_01_036727,COc1ccc(cc1)C(C)(C2=O)Cc(c23)cc(c(F)c3F)OCC(=O)O -MOL_01_036728,C1CCC(=C12)N(O)C(=C(C)N2O)c3cccs3 -MOL_01_036729,N1=NC=C(C1=2)C(=O)N(C(N2)=S)c3ccccc3Cl -MOL_01_036730,CCOC(=O)C1=C(C)C(CCCC(=O)O)C(=O)CC1c2ccc(F)cc2F -MOL_01_036731,COc1ccc(cc1OC)C(C2=C(C)N=NC2=O)C3C(=O)NC(=O)NC3=O -MOL_01_036732,O=C(N=1)C(=O)N=c(c12)cc(C)c(c2)S(=O)(=O)Nc3cccc(C(F)(F)F)c3 -MOL_01_036733,CC(C)c1ccc(cc1)C2C(=C(O)OC3)C3=Cc(c24)cc5c(c4)OCO5 -MOL_01_036734,Fc(c1)c(F)cc(c12)N(O)C(=C(N2O)C(=O)OC)Cc3ccccc3 -MOL_01_036735,Cc1ccc(F)c(c1F)N2C(=O)C(F)=C(C2=O)N3CCN(C)CC3 -MOL_01_036736,COc1ccc(cc1)C(N2O)=C(C#N)N(O)c(c23)cc(cc3)OC -MOL_01_036737,c1cccc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3cccs3 -MOL_01_036738,COc1cccc(c1)-c2cc(ccn2)C(C=3)=NC(C34)=NC=NC4=O -MOL_01_036739,O=C(N=1)N=c(c12)nccc2Oc3ccc(cc3)NC(=O)c4cc(F)cc(c4)N5CCOCC5 -MOL_01_036740,CC1(C)ON(OC1(C)C)c2ccccc2NC(=O)c3ccc(cn3)Oc4ccc(C(F)(F)F)cn4 -MOL_01_036741,C1CC1NCC(=O)N(CCc(c23)occ3)C2c4ccc(F)cc4F -MOL_01_036742,c1cccc(c12)N(O)C(=C(N2O)C(=O)O)c3ccc(Cl)cc3 -MOL_01_036743,COc1ccc(cc1OC)C(N2O)=C(C)N(O)C(=C23)CCCCC3 -MOL_01_036744,Fc1ccc(cc1)-c2nc(oc2C)-c(c(=O)o3)cc(c34)cccc4 -MOL_01_036745,c1cccc(c12)oc(C)c2/C(=C(\O)OCC)C(=O)c3ccccc3 -MOL_01_036746,CC(=O)c1cnc(nc1C)OCCN(C2=O)C(=O)c(c23)cccc3 -MOL_01_036747,COc1cc(ccc1O)/C=C2/OC(=O)CC2=O -MOL_01_036748,COc1ccc(cc1OC)CCCC(=O)c2c(F)ccc(F)c2OC -MOL_01_036749,Clc(c1)ccc(c12)N(O)C(=C(N2O)C(=O)OC)Cc3ccccc3 -MOL_01_036750,N1=NC(C)=C2C(=O)N=c(c3=C12)cc4c(c3)cccc4 -MOL_01_036751,N1=NC(C)=C2C(=O)N=c(c3=C12)cc(Cl)cc3 -MOL_01_036752,NC(N=1)=NC(=O)C(C12)=NC=C2C(=O)c3ccccc3 -MOL_01_036753,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CC(=O)C(=O)Nc3ccccc3C(F)(F)F -MOL_01_036754,CCOC(=O)c1cccc(c1)NS(=O)(=O)c(c(C)c2)cc(c2=3)=NC(=O)C(N3)=O -MOL_01_036755,COCCCN(S(=O)(=O)C)c1cc(Cl)cc(c1=2)=NC(=O)C(N2)=O -MOL_01_036756,Cc(c1)c(C)cc(c12)N(O)C(C#N)=C(N2O)c3ccc(Cl)cc3 -MOL_01_036757,COc1ccccc1N2CCN(CC2)CC(C=3)=NC(C34)=NC(=NC4=O)N(C)C -MOL_01_036758,Cn1cccc1Cc2nnc(n2-c3ccc(C)cc3)CCC(=O)NC4CCCCC4 -MOL_01_036759,c1ccccc1NC(=O)C(=C(C)N2O)N(O)c(c23)cc(cc3)CN(C)C/C=C/c4ccccc4 -MOL_01_036760,O=C(N=1)C(=O)N=c(c12)cc(C)c(c2)S(=O)(=O)N3CCN(CC3)c4cccc(Cl)c4 -MOL_01_036761,Clc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccc(F)cc3 -MOL_01_036762,Fc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccc(F)cc3 -MOL_01_036763,COc1ccc(OC)c(c1)C(N2O)=CN(O)C(=C23)CCCC3 -MOL_01_036764,c1ccoc1CC(=O)c(c2O)c(O)cc(c23)CCCC3 -MOL_01_036765,C1CCc(c12)cc3c(c2)N(O)C(=NN3O)NC(CC45)C(C4)CC5 -MOL_01_036766,c1ccccc1C(=N2)C(C)=C(C2=3)C(=O)N=NC3 -MOL_01_036767,COc1ccc(cc1)CNC(=O)C(N2O)=C(C)N(O)c(c23)ccc(c3)OC -MOL_01_036768,CCOC(=O)c(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)Nc3ccccc3 -MOL_01_036769,COc1cc(ccc1O)/C=C2/C/C(=N\c3ccccc3)N(C2=O)Cc4ccncc4 -MOL_01_036770,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CC(=O)C(=O)Nc3cccc(C(F)(F)F)c3 -MOL_01_036771,O=C(N=1)C(=O)N=c(c12)cccc2N3CCN(CC3)CCOc4cccc(c4=5)=NC(N5)=S -MOL_01_036772,COc1ccc(cc1)CCNC(=O)C(N2O)=C(C)N(O)c(c23)ccc(c3)OC -MOL_01_036773,COC(=O)c1ccc(cc1)C(N2O)=C(C#N)N(O)c(c23)cccc3 -MOL_01_036774,COC(=O)c1cccc(c1)-c(c2)ccc(c23)C=4N(C(C3)=N)CCCN4 -MOL_01_036775,Cc1ccc(cc1N(C)C)NS(=O)(=O)c(c(C)c2)cc(c2=3)=NC(=O)C(N3)=O -MOL_01_036776,COc1ccc(cc1)CNC(=O)C(N2O)=C(C)N(O)c(c23)cc(Cl)c(Cl)c3 -MOL_01_036777,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CC(=O)C(=O)Nc3cc(Cl)ccc3Cl -MOL_01_036778,O=C(N=1)C(=O)N=c(c12)cc(C)c(c2)S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3 -MOL_01_036779,COc(c1)ccc(c12)N(O)C(C)=C(N2O)NC(=O)OC(C)C -MOL_01_036780,O=C(N=1)N=c(c12)nccc2Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5 -MOL_01_036781,COc1ccc(cc1)CCNC(=O)C(N2O)=C(C)N(O)c(c23)ccc(c3)C -MOL_01_036782,ON1C(N)=NN(O)c(c12)cc3c(c2)OCC3 -MOL_01_036783,CCOC(=O)C(N1O)=C(C(F)(F)F)N(O)c(c12)ccc(c2)C -MOL_01_036784,Clc(c1)c(Cl)cc(c12)N(O)C(=C(C)N2O)C(=O)c3ccccc3 -MOL_01_036785,CCOc1ccccc1C(=O)C/C=C/c2ccc(o2)C(=O)O -MOL_01_036786,O=C(N=1)N=c(c12)cccc2Oc3cccc(c3)NC(=O)c4ccnc(c4)N5CCSCC5 -MOL_01_036787,O=C(O)c(cc1)cc(c12)C(=CCC(=O)C2C)C3=CCCCC3 -MOL_01_036788,COc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)N=C(C3=4)C=CN4 -MOL_01_036789,CCOC(=O)COC(=O)C(N1O)=C(CC)N(O)c(c12)ccc(Cl)c2 -MOL_01_036790,O=C(N=1)N=c(c12)cccc2Oc3cccc(c3)NC(=O)c4cccc(c4)-n5ccnc5 -MOL_01_036791,COc1cccc(c1)CNS(=O)(=O)c(c(C)c2)cc(c2=3)=NC(=O)C(N3)=O -MOL_01_036792,CC(C)CNC(=C)c(n1)cc(n12)nc(C3CC3)cc2C(C)(C)C -MOL_01_036793,Cc(c1)c(C)cc(c12)N(O)C(=C(C)N2O)C(=O)NCCc3ccccc3 -MOL_01_036794,COCCNC(=O)c(c1)ccc(c12)N(O)C(C)=C(N2O)C(=O)C -MOL_01_036795,N1=NC(C)=C2C(=O)N=c(c3=C12)cccc3 -MOL_01_036796,Fc1ccc(cc1)C2(O)C(C=C(C)C2)C(=O)COc3ccccc3C -MOL_01_036797,COc1ccc(cc1)COC(=O)C2=C(C)CC(=O)CC2c3ccccc3 -MOL_01_036798,COc1ccccc1CCC2=CC(=O)C(C2)CC(=O)Cc3ccc(OC)c(c3)OC -MOL_01_036799,Cc1cccc(c1)CC(=O)C(C2)CCc(c23)cc(cc3)OCC(=O)CO -MOL_01_036800,NCC1ON(O)c(c12)c(ccc2Cl)OCc3ccccc3 -MOL_01_036801,COc(c1)ccc(c12)N(O)N=C(N2O)NCCCn3ccc(C#N)c3 -MOL_01_036802,O=C(C)C(N1O)=C(C(F)(F)F)N(O)c(c12)cc(F)c(F)c2 -MOL_01_036803,O=C(N=1)C(=O)N=c(c12)cc(C)c(c2)S(=O)(=O)NC3CCC(C)CC3 -MOL_01_036804,Oc1ccc(cc1)C2CC(=O)CC(C)=C2C(=O)OCC3CCCCC3 -MOL_01_036805,c1cc(Cl)cc(c12)N(O)C(=C(C#N)N2O)NCCCN3CCOCC3 -MOL_01_036806,c1cccc(c12)N(O)C(=C(C#N)N2O)c3ccc(F)cc3 -MOL_01_036807,O=C(N=1)N=c(c12)nccc2Oc3ccc(cc3)NS(=O)(=O)c4ccc(Cl)cc4 -MOL_01_036808,COc1ccc(cc1F)C2=C(C(=O)N=N2)c3cc(OC)c(OC)c(c3)OC -MOL_01_036809,C#CCN(C1=O)C(=O)N=C(C1=2)N=C(N2)C3CCCCC3 -MOL_01_036810,CCCOc1ccccc1C(N=2)=NC(=O)C(C23)=NC=N3 -MOL_01_036811,c1nccc(c12)CN(C2)C(=C)Nc3ccc(cc3)CC4CCN(CC4)C(=C)c5cccnn5 -MOL_01_036812,CC(=O)Cc1ccc(cc1)CC(=O)C(O2)Cc(c23)c(ccc3)-c4ccc(F)cc4 -MOL_01_036813,c1ccccc1CNC(=O)Cn2nc(-c3ccc(F)cc3)c(n2)-c4ccc(F)cc4F -MOL_01_036814,c1cccc(c12)N(O)C(=C(N)N2O)C(=O)Nc3ccccc3O -MOL_01_036815,c1ccccc1-c2coc(C)c2C(=O)C/C=C/c3ccc(C(=O)O)c(O)c3 -MOL_01_036816,Cc1nc(C)c(o1)-c2ccc(nn2)OCC(=O)Nc3ccccc3F -MOL_01_036817,c12cc(C)c(n1)cc3nc(C(C)(O)C3=O)cc4nc(cc4C)cc5nc(c2)C(C)(O)C5=O -MOL_01_036818,Cn1ccnc1C(c2cccc(F)c2)NC(=O)c(c3)ccc(c3=4)=NC(=O)C(N4)=O -MOL_01_036819,N=1C=NC(C12)=NC(=O)N(C2=O)Cc3cccc(Cl)c3 -MOL_01_036820,NC(N=1)=NC(=O)c(c12)cc=3c(c2)N=C(N3)NCc4cccs4 -MOL_01_036821,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)NCc3ccc(C(F)(F)F)cc3 -MOL_01_036822,COc1cccc(c12)oc(n2)NCCc3ccc(cc3)NC4=NCCO4 -MOL_01_036823,NC(N=1)=NC(=O)c(c12)cc=3c(c2)N=C(N3)NCCN4CCCCC4 -MOL_01_036824,CCCC(CC1)CC1(CCC)N(C2=O)C(=O)N=C(C2=3)N=CN3 -MOL_01_036825,COC(=O)C1=C(C)C(C(=O)C1)Cc(c2)ccc(c23)OCO3 -MOL_01_036826,COc1ccc(cc1)CCNC(=O)C(N2O)=C(C)N(O)c(c23)cccc3 -MOL_01_036827,COc1cccc(c1O)/C=N/c2cccc(c23)C(=O)N=NC3=O -MOL_01_036828,COC(=O)C(=C(CC)N1O)N(O)c(c12)cc(Cl)c(Cl)c2 -MOL_01_036829,CN(C)CCCNC(N1O)=C(C#N)N(O)c(c12)cc(Cl)cc2 -MOL_01_036830,C=CCNc1nc(SC)nc(c1C)CCO -MOL_01_036831,CCCc1cc(cc(O)c1OC)C2=CC(CO2)C(=O)CO -MOL_01_036832,O=C(N=1)N=c(c12)cccc2Oc3cccc(c3)NC(=O)c4ccnc(Cl)c4 -MOL_01_036833,Cc(c1)c(C)cc(c12)N(O)C(=C(C)N2O)C(=O)Nc3ccccc3 -MOL_01_036834,O=C1N=CN=c(c12)cc3c(c2)=NC(=N3)NCCN4CCOCC4 -MOL_01_036835,COc1ccc(c(c1)OC)NC(=O)COC(=O)c2ncc(F)c(F)c2F -MOL_01_036836,Cc1nccc(c1=2)=C3C(N2)=CC(=O)C=C3 -MOL_01_036837,COc(c1)ccc(c12)N(O)C(=NN2O)NCOC(C)c3ccccc3 -MOL_01_036838,Fc1ccc(cc1)CC(=O)C(C2)C(C(=O)OC(C)(C)C)Cc(c23)cc(cc3)OCC(=O)CO -MOL_01_036839,CCC(CC)C(=O)c(c1)ccc(c12)C(O)CC(=O)C2Cc3ccccc3 -MOL_01_036840,CC(=O)c1cc(ccc1O)C(O)CCC(C)CCc2ccccc2 -MOL_01_036841,NC(N=1)=NC(=O)C(C12)=CC(=N2)c3cccc(Cl)c3 -MOL_01_036842,N#CC(N1O)=C(N)N(O)c(c12)ccc(c2)CN(C)C/C=C/c3ccccc3 -MOL_01_036843,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)/C=C/c3cccc(c34)cccc4 -MOL_01_036844,C1CCCC1C2=CC(=O)C(O2)CC(=O)Cc3ccc(cc3)C(=O)CCCOc4ccccc4F -MOL_01_036845,Cn1ccnc1C2CCN(CC2)S(=O)(=O)c(c3)ccc(c3=4)=NC(N4)=O -MOL_01_036846,COc1ccc(c(c1)OC)C(=O)COC(=O)CC(C2=O)C(=O)C(C23)CC=CC3 -MOL_01_036847,COc1ccc(Cl)cc1NS(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_036848,O=C1N=CN=c(c12)cc3c(c2)=NC(=N3)NCc4cccs4 -MOL_01_036849,CCc1cccc(c1)N(C)S(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_036850,Cc1ccc(cc1)C(=O)Oc2ccccc2C(C3=O)C(=O)C(C34)CCCC4 -MOL_01_036851,CCCCc1ccc(cc1)-c2nc(C)c(o2)-c3cnc(o3)NN -MOL_01_036852,Cc1ccc(s1)C(=O)NCC(C=N2)=C(C2=3)C(=O)N=C(N3)N -MOL_01_036853,CC(C)c1ccc(cc1)N(C)S(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_036854,CC1=C(C)N(O)C(=C(C)N1O)c2ccco2 -MOL_01_036855,O=c(n1)c(C)nn(c12)N=C(CN2)c3ccccc3 -MOL_01_036856,c1cc(Cl)cc(c12)N(O)C(=C(C)N2O)/C=N/NC(=O)c3ccncc3 -MOL_01_036857,c1ccn(O)c(c12)cc(nc2=O)-c3ccccc3 -MOL_01_036858,CC(=O)NC1=NN(C(=O)C)C(N1)c(c2)ccc(c23)OCO3 -MOL_01_036859,C1CCC(=C12)N(O)C(=CN2O)c3cccc(c34)cccc4 -MOL_01_036860,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CN(C)c3ccccc3 -MOL_01_036861,CC(C)C1=NN=C(C1=2)C(=O)N=C(N2)CC3CCCCC3OCCN4CCOCC4 -MOL_01_036862,c1cc(C)cc(c12)N(O)C(=C(C)N2O)/C=N/NC(=O)c3ccncc3 -MOL_01_036863,CCOC(=O)c1cccc(c1)CC(=O)C(c2ccccc2)C(C3=O)Cc(c34)cccc4 -MOL_01_036864,COc1ccccc1N2CCN(CC2)CCOc(c3)ccc(c3=4)=NC(N4)=O -MOL_01_036865,c1ccccc1CCNC(=O)c2cccn2-c(c3)ccc(c34)COC4O -MOL_01_036866,CCCc1ccc(o1)CC(C(=O)C2)C(=O)C2(c3ccccc3)c4ccccc4 -MOL_01_036867,CCCCCCCCCCCCN(C1=O)C(=O)N=C(C1=2)N=C(N2)O -MOL_01_036868,CC(C)(C)C(O)CC1CCC(CC1)C(=O)c(c2)ccc(c23)COC3 -MOL_01_036869,CC1CCCCN1S(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_036870,c1cccc(c12)N(O)C(=C(N)N2O)C(=O)Nc3ccccc3 -MOL_01_036871,COc1c(OC)cc(cc1OC)C(=O)NCc2nnc(o2)CCC(=O)NC3CCCCC3 -MOL_01_036872,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)/C=C/C=C/c3ccccc3 -MOL_01_036873,O=C(N=1)C(=O)N=c(c12)ccc(c2)S(=O)(=O)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_036874,Nc1nc(=O)n(cc1F)C2CCC(N2)CO -MOL_01_036875,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)/C=C/c3ccc(C)cc3 -MOL_01_036876,NC(N=1)=NC(=O)C(C12)=NC(=N2)SCc3ccc(OC(F)(F)F)cc3 -MOL_01_036877,Fc1cc(ccc1)N(C)S(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_036878,CC(C)c(c1)ccc(c12)N(O)N=C(N2O)NCCN(C)C -MOL_01_036879,O=C(N=1)N=c(c12)cccc2N3CCN(CC3)CCCCNC(=O)c(c4)ccc(c45)cccc5 -MOL_01_036880,CCN(CC)CC(=O)C(N1O)=C(C)N(O)c(c12)cccc2 -MOL_01_036881,O=C1N=NC(=N1)C(=O)NC(CC(F)(F)F)c2ccc(Cl)cc2 -MOL_01_036882,COc1ccc(cc1)C(=O)N/N=C/C(N2O)=C(C)N(O)c(c23)cccc3 -MOL_01_036883,c1ccoc1-c2nnc(n2N)CC/C=C/c3ccccc3 -MOL_01_036884,CC(=O)C1CCC(CC1)C(=O)c2c(coc2C)-c3ccccc3 -MOL_01_036885,CCOC(=O)C(N1O)=C(C)N(O)c(c12)ccc(c2)C -MOL_01_036886,CN(C)CCCNC(N1O)=C(C#N)N(O)c(c12)cccc2 -MOL_01_036887,CCOC(=O)C(N1O)=C(C)N(O)c(c12)ccc(Cl)c2 -MOL_01_036888,c1cccc(c12)nc(n(c2=O)C)OCc3ccccc3C#N -MOL_01_036889,CCNC(N1O)=NN(O)c(c12)cccc2C -MOL_01_036890,c1cccc(c12)oc(c2C)CN3CCN(CC3)C(=O)Nc4ccccn4 -MOL_01_036891,CCC(=O)Nc1cc(F)c(c(F)c1)Oc2ccc(O)c(c2)-c3ccc(C(=O)N)cc3 -MOL_01_036892,COC(=O)C(=C(CC)N1O)N(O)c(c12)cccc2 -MOL_01_036893,c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CSCCO -MOL_01_036894,CCCCS(=O)(=O)c(c1)ccc(c12)N(O)C(N)=NN2O -MOL_01_036895,O=C(N=1)N=c(c12)nccc2Oc3ccc(cc3)NC(=O)Nc4cccc(F)c4 -MOL_01_036896,CNN1C(=O)C(OC)C1c2cccc(F)c2 -MOL_01_036897,C1COCCC1C(=C)c2ccccc2OC(=O)c3cccc(c3)C(=O)O -MOL_01_036898,COc1ccc(cc1OC)CC(=O)OCC(=O)CCc(c2)ccc(c23)OCO3 -MOL_01_036899,Cc(c1)ccc(c12)nc(c(c2)C)OCC(=O)Nc3cc(C)on3 -MOL_01_036900,CCC(N1O)=NN(O)c(c12)cc(cc2)OCCOC -MOL_01_036901,CCCOCNC(N1O)=NN(O)c(c12)cc(cc2)OC -MOL_01_036902,COc1cc(C(=O)O)ccc1CC(=O)/C=C/C(=O)O -MOL_01_036903,CCOC(=O)c1cc(CC)oc1CC(=O)Cc2ccccc2 -MOL_01_036904,CC(C)C1=C(C(=O)N=N1)Cc2ccc(cc2)CCCC(=O)NC(C)(C)C(=O)N -MOL_01_036905,c1ccccc1N(C)S(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -MOL_01_036906,O=C(C)C(N1O)=C(C)N(O)c(c12)cc(C)c(c2)C -MOL_01_036907,C1CCC(=C12)N(O)C(=CN2O)c3ccc(F)cc3 -MOL_01_036908,O=C(N=1)N=c(c12)ccc(c2)C3=NN=C(SC3)NCc4cccc(F)c4 -MOL_01_036909,CCOc(c1)ccc(c12)N(O)C3=C(N2O)CCCC3 -MOL_01_036910,COc1ccc(cc1)C(=O)C(C(COC(=O)C)COC(=O)C)c2c(C)cccc2C -MOL_01_036911,Fc1ccc(cc1)-c(cc(c2)C(=O)C)c(c23)c(F)cc(c3)CC4C(=O)CCC4=O -MOL_01_036912,COc1ccc(cc1)C(=O)CCC(CC2(C)C)=CC(=O)C2 -MOL_01_036913,COc1cccc(c1)CC(=O)/C=C/c2ccc(O)cc2 -MOL_01_036914,Cc1ccc(cc1)C2=C(C(=O)N=N2)Cc3c(O)ccc(c34)cccc4 -MOL_01_036915,CC(=O)c1ccc(o1)C2CCCC2C(=O)CCc(o3)cc(c34)cccc4 -MOL_01_036916,CC(=O)NC(N1O)=NN(O)c(c12)cc(C)cc2 -MOL_01_036917,C=CCc1cc(CCC(=O)O)ccc1/C=C/C(O)(CN23)C(CC2)CC3 -MOL_01_036918,Cc(c1)ccc(c12)nc3c2c4c(c(=O)[nH]c4=O)c5c3cnn5 -MOL_01_036919,CN(C)CCNC(=O)c1cc(C)c(c(C)c1O)-n2cccc2 -MOL_01_036920,Cc1ccc(cc1)/C=C2/C(=O)C(C(=O)C2C)c3ccc(C(=O)O)cc3 -MOL_01_036921,CCOc1c(Cl)cc(cc1OC)CNc(c2)ccc(c2=3)=NC(N3)=O -MOL_01_036922,c1ccccc1-c2occ(c2C)C(=O)Cc3cccc(c3)C(=O)O -MOL_01_036923,CCc1cnc(o1)CCNC(C)CC(=O)Nc2cccc(C)c2C -MOL_01_036924,CC(O)C1CCCc(c12)cc(o2)COc3ccccc3 -MOL_01_036925,COc(c(Cl)c1)cc(c12)N(O)C(C#N)=CN2O -MOL_01_036926,O=C(O)c1ccccc1C(=O)OCC(=O)C2CCCc(c23)cccc3 -MOL_01_036927,CCOC(=O)C1=C(CC(=O)CC1C)COC(=O)/C=C/c2cccc(F)c2 -MOL_01_036928,Cc1c(F)cnc(c1=2)=NC(=O)C(N2)=O -MOL_01_036929,CC1CCCCN1CCCNc2nccc(n2)C3=CN=NC3=O -MOL_01_036930,C=CCc1cc(ccc1O)Oc2c(O)cc(cc2O)CC(C)C(=O)O -MOL_01_036931,O=C(O)c1ccccc1CC(=O)CCCCCC(O)COc2ccccc2 -MOL_01_036932,Cc1cccc(c1)-c2coc(N)c2C(=O)OCc3ccccc3 -MOL_01_036933,O=C(N=1)C(=O)N=c(c12)ccc(c2)S(=O)(=O)Nc3ccccc3 -MOL_01_036934,O=C1N=NC(=N1)C(=O)NC2CCCN(C2)c3ccccc3Cl -MOL_01_036935,O=C(N=1)N=c(c12)cccc2C(=O)Nc3cccc(Cl)c3 -MOL_01_036936,Cc1ccc(F)cc1NC(=O)Nc2nnc(o2)N3CCCC(C)C3 -MOL_01_036937,c1cccc(c12)OC(=C)N2CCC(=O)NC(C)C -MOL_01_036938,CCOC(=O)C/C=C1\C(=O)C(O)=C1C2CCC(CC2)c3ccccc3 -MOL_01_036939,Cc1cc(C)c(c(O)c1)/C=C/c2ccc(cc2)CCC(=O)O -MOL_01_036940,c1ccccc1Cc2ccc(cc2)C(=O)Cc3ccc(o3)C4=COCCO4 -MOL_01_036941,CCC(=O)OCC(=O)Cc1ccc(C(F)(F)F)cc1F -MOL_01_036942,CCn1c(O)cc(=O)nc1NCC(=O)N2CCOCC2 -MOL_01_036943,Cc1ccc(s1)CNC(C)c(c2)ccc(c2=3)=NC(N3)=O -MOL_01_036944,CC(=O)C1CCCC1C(=O)CCCOc2cc(C)cc(C)c2 -MOL_01_036945,CCOC(=O)c1ccc(cc1)CC(=O)CCc2cc(co2)-c3ccc(F)cc3 -MOL_01_036946,Cc1ccc(cc1C(=O)O)C(=O)Cc2ccc(C3CCOCC3)cc2C4CCOCC4 -MOL_01_036947,NNC(=O)Nn(c1=O)c(=O)c(c12)c3c(nc4c3cccc4)c5c2c6c(n5)cccc6 -MOL_01_036948,N#CC(N1O)=C(N)N(O)c(c12)ccc(Cl)c2 -MOL_01_036949,O=C(N=1)N=c(c12)ccc(c2)OCCN3CCN(CC3)c4ccccc4Cl -MOL_01_036950,COc1ccc(cc1)-c2cc(C(=O)N)c(F)nn2 -MOL_01_036951,CCN(C1=O)C(=O)N=C(C1=2)N=CN2 -MOL_01_036952,CN(C)CCCC(N1O)=NN(O)c(c12)cccc2 -MOL_01_036953,c1ccccc1C2=C(C)N(O)C(C)=C(N2O)c3ccc(Cl)cc3 -MOL_01_036954,Cc1ccc(cc1)NC(N=2)=NC(=O)C(C23)=CC=N3 -MOL_01_036955,c1ccccc1CCC2(C(=O)OCC)CCC(CC2)C(=O)C3=C(C)OCCO3 -MOL_01_036956,N#CC(N1O)=C(N)N(O)c(c12)cc(N)cc2 -MOL_01_036957,COC(=O)CCC(C)C(=O)c1coc(c1)Cc2ccccc2C -MOL_01_036958,CCc1nnc(o1)NC(=O)CCC(=O)N2CCN(CC2)Cc3ccccc3 -MOL_01_036959,CC(C)(C)OC(=O)COc1cccc(c12)N(O)c3c(N2O)cccc3OCC(=O)OC(C)(C)C -MOL_01_036960,Cc(c1)ccc(c12)C(O)N(N=C2)S(=O)(=O)C -MOL_01_036961,COc1ccc(cc1)-c2coc(c2)CCC(=O)CCCC(C3=O)C(=O)C(C34)CC=CC4 -MOL_01_036962,CC1(C)C(C12)CC(=O)C\2=C(\C)CC(=O)c3ccco3 -MOL_01_036963,COc1ccc(cc1)/C=N/NC2=NC(=O)N=C(C2=3)N=NC3 -MOL_01_036964,COc1c(F)cc(cc1)C(=O)NC(=C)Nc2ccc(cc2)CN3CCOCC3 -MOL_01_036965,O=C(O)c1cc(ccc1)CC(=O)CC2CC(=CC2=O)C3CCCCC3 -MOL_01_036966,O=C1C=C(N=N1)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2 -MOL_01_036967,Cn1nc(C)c(c1CC)CNCc2cccc(c2)Cn3cncn3 -MOL_01_036968,CCc1cc(C(O)O)ccc1CCC2CCCO2 -MOL_01_036969,O=C1N=CN=C(C1=2)C(=CN2)CN3CCCC3 -MOL_01_036970,COc1ccc(cc1)C2C(=O)CC(C2=O)C3CCC(CC3)c4ccccc4F -MOL_01_036971,CC(=O)Nc1ccc(cc1)CC2=C(C(C)C)N=NC2=O -MOL_01_036972,N=C1NC(=O)NC\1=C\c2ccccc2F -MOL_01_036973,COc1ccccc1OCC(=O)CCC(C)(O)C2CC2 -MOL_01_036974,Fc1ncccc1C(=O)Nc2cccnc2F -MOL_01_036975,c1ccccc1CCC(O)C(=O)c2ccc(cc2)OCc3ccccc3 -MOL_01_036976,Cc1cc(Cl)c(O)c(c12)nc3c(n2)cccc3 -MOL_01_036977,COc1ccc(cc1)/C=C/CC(=O)c2cc(C(=O)O)cc(c2)C(=O)O -MOL_01_036978,CCn1c(C)nnc1NCC(=O)Nc2ccc(OC)cc2 -MOL_01_036979,N=C/C=C(NC1=O)\Cc(c12)cccc2 -MOL_01_036980,CCCSC(=O)OC(Cn1ccnc1)c2ccc(F)cc2F -MOL_01_036981,CCCCC(=O)Cc(c1)ccc(c12)cc(o2)OCC(=O)C3CCCC3 -MOL_01_036982,COC(=O)c1occc1CC(=O)Cc2ccc(cc2)-c3ccccc3 -MOL_01_036983,CC(=O)Nc1cccc(c12)N(O)C(C)=C(C)N2O -MOL_01_036984,COc1ccc(cc1)Cc2coc(c2)-c3ccc(cc3)CC(C)CO -MOL_01_036985,CCOC(=O)CCc1cc(ccc1C(=O)O)Cc2ccc(OC)cc2 -MOL_01_036986,O=C(O)CC(=O)Cc1occc1C(=O)Cc2ccco2 -MOL_01_036987,O=C(O)c1ccccc1CC(=O)C(C)Cc2ccc(cc2)-c3ccc(O)cc3 -MOL_01_036988,CC(C)(C)c1cnc(c(F)c1)N/N=C(\N)Nc2cccnc2 -MOL_01_036989,C1COCCN1c2cc(C)nc(n2)CC(O)N(C(C)C3)c(c34)cccc4 -MOL_01_036990,c1cc(F)cc(c12)CC(C)N2C(=N)Cc3nc(cc(=N)n3C)N4CCNCC4 -MOL_01_036991,Cn1ncc(Br)c1-c2cn(C)c(c2)C(=O)CC3CNCCC3c4ccc(Cl)cc4 -MOL_01_036992,CNc1nccc(n1)-c2ccc(s2)C(=O)CC(CN)Cc3ccc(Cl)cc3Cl -MOL_01_036993,C1CNCCC1C(c2ccc(C)cc2)NC(O)c(c3)ccc(c34)cncc4 -MOL_01_036994,Cc1cccc(c12)N(CC2)C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_036995,Cc1cccc(c12)N(C(C2)C)C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_036996,c1ccccc1C(CN)c2cncc(c2)CCc3ccncc3 -MOL_01_036997,c1cccc(c12)N(CC2(C)C)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_036998,CC1(N)CC(N)(C1)c2ccc(cc2)-c(c3-c4ccccc4)nc(n35)c6c(NC5)cccc6F -MOL_01_036999,Clc1cc(ccc1)CC(N)C(=O)C2CCN(CC2)c3ncnc(c34)cccc4 -MOL_01_037000,C1COCCN1c2cc(O)nc(n2)CC(O)Nc3cccc(c3)OC4CCCC4 -MOL_01_037001,c1cccc(c12)N(CC2C)C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_037002,c1ccc(C(C)(C)C)c(c12)CC(C)N2C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_037003,CNc1cccc(c12)N(CC2)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_037004,Cc1cccc(c12)N(CC2)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_037005,Cc1cccc(c12)N(C(C2)C)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_037006,Cc1cccc(c12)N(C(C2)C)C(O)Cc3nc(O)c(C)c(n3)N4CCOCC4 -MOL_01_037007,C1COCCN1c2cc(O)nc(n2)CC(O)N3CCc(c34)nccc4 -MOL_01_037008,Cc1cccc(c12)N(CC2)C(O)Cc3nc(O)cc(n3)N4CCOC(C)C4 -MOL_01_037009,C1CNCCN1c2cc(C)nc(n2)CC(C)N(C(C)C3)c(c34)cccc4 -MOL_01_037010,Cc(c1)ccc(c12)NCn3c2nc(c3-c4ccccc4)-c5ccc(cc5)C6(N)CC(C)(N)C6 -MOL_01_037011,C1COCCN1c2nc(nc(O)c2C)CC(O)N(C(C3)CO)c(c34)cccc4 -MOL_01_037012,Cc1c(C)ccc(c12)N(C(C2)C)C(O)Cc3nc(C)c(C)c(n3)N4CCOCC4 -MOL_01_037013,Cn1ncc(Br)c1-c2csc(c2)C(=O)CC3(CCNCC3)c4ccc(F)cc4 -MOL_01_037014,c1ccccc1CC(N)COc2cncc(c2)-c(c3)ccc(c34)CC(=O)C4Cc5ccco5 -MOL_01_037015,Cc1c(C)ccc(c12)N(C(C2)C)C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_037016,CNc(c1)ccc(c12)c3n(CN2)c(-c4ccccc4)c(n3)-c5ccc(cc5)C6(N)CC(N)(C6)C7CC7 -MOL_01_037017,Cc1cc(ccn1)-c2cc(C)nc(n2)CC(C)N3CCc(c34)c(C)ccc4 -MOL_01_037018,c12c3cc(ccc3)c4n2c(cc(N)c1)nc4-c5ccc(cc5)C6(N)CCC6 -MOL_01_037019,Cc1cccc(c12)N(C(C2)C)C(N)Cc3nc(N)c(C)c(n3)N4CCNCC4 -MOL_01_037020,CC(C)Oc1cccc(c1)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_037021,C1COCCN1c2cc(=O)n(C)c(n2)CC(=O)C3CCc(c34)cc(F)c(F)c4 -MOL_01_037022,Cc1c(C)ccc(c12)N(C(C2)C)C(C)Cc3nc(C)c(C)c(n3)N4CCNCC4 -MOL_01_037023,Cc1cc(N)cc(c12)C(N)CC(N2)(C)CCCC(C)C -MOL_01_037024,C1CNCCN1c2nc(nc(N)c2C)CC(N)N(C(C3)CN)c(c34)cccc4 -MOL_01_037025,CNc(c12)cc3c(c1)c(ncn3)Nc4c(ccc(C)c4)CN(C)CCCCCN2 -MOL_01_037026,C1COCCN1c2cc(=O)n(C)c(n2)CC(=O)C3CCc(c34)ccc(F)c4 -MOL_01_037027,N=Cc1cccc(c1)CC(N)COc2cncc(c2)CCc3ccncc3 -MOL_01_037028,C1CC1c2cc(ccc2C)NC(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_037029,Cc(c1)c(C)cc(c12)CCN2C(O)Cc3nc(O)cc(n3)N4CCOCC4 -MOL_01_037030,Cc1ccc(cc1)C(N)(N)Nc2cc(cnc2C)-c(n3)ccc(n34)nc(c4)N -MOL_01_037031,C1COCCN1c2cc(=S)n(C)c(n2)CC(=O)C3CCc(c34)c(Cl)ccc4 -MOL_01_037032,Cc(c1)c(C)cc(c12)CC(C)N2C(N)Cc3nc(N)c(C)c(n3)N4CCNCC4 -MOL_01_037033,Cc1cccc(c12)N(CC2)C(N)C(C)(C)c3nc(N)cc(n3)N4CCNCC4 -MOL_01_037034,Cc(c1)ccc(c12)CCN2C(N)Cc3nc(N)cc(n3)N4CCNCC4 -MOL_01_037035,COc1ccc(cc1)S(=O)(=O)Cc2cc(ccc2Cl)-c(c3)ccc(c34)nc(s4)NC(=O)C -MOL_01_037036,Cc1c(N)ncnc1N2CCN(CC2)C(N)C(N)Cc3ccccc3 -MOL_01_037037,Cc1ccc(cc1C)C2=CCNCC2NC(N)c3ccc(nc3)-c4ccnn4C -MOL_01_037038,Cc1ccc(cc1C)CC(CN)NC(O)c2cc(c(o2)C)-c3c(C)cnn3C -MOL_01_037039,CC(C)(C)Oc1cc(ccc1C)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_037040,c1cccc(c12)CCN2C(=N)Cc3nc(cc(=N)n3N)N4CCNCC4 -MOL_01_037041,c1nc(C)cc(c12)cc(cc2)C(O)NC(c3ccc(C)c(C)c3)C4CCNCC4 -MOL_01_037042,Cc1ccc(cc1)NC(O)Cc2nc(O)cc(n2)N3CCOC(C)C3 -MOL_01_037043,CN(C)c1cccc(c1)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_037044,Cn1ncc(Cl)c1-c2coc(C=O)c2 -MOL_01_037045,N=Cc(c1)c(C)ccc1C(C2CCNCC2)NC(O)c(c3)ccc(c34)cncc4 -MOL_01_037046,C1CNCCN1c2cc(=N)n(C)c(n2)CC(=N)Nc3ccc(F)c(F)c3 -MOL_01_037047,Cn1nccc1-c2coc(c2)C(=O)CC3CNCCC3c4ccccc4 -MOL_01_037048,Cc1ccc(cc1)CC(N)C(O)N2CCN(CC2)c3ncnc(N)c3C -MOL_01_037049,Nc(o1)nc(c12)ccc(c2)-c3cnc(Cl)c(c3)CS(=O)(=O)c4ccc(F)cc4 -MOL_01_037050,C1CNCCC1C(c2cc(C)c(C)cc2)NC(O)c(c3)ccc(c34)nc(o4)O -MOL_01_037051,c1cccc(c12)ccc(c2)CC(N)CNc3cncc(c3)CCc4ccncc4 -MOL_01_037052,Cc1ccc(cc1C(C)C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_037053,NCCNc1cnc(Cl)c(c1)/C=C/c2ccncc2 -MOL_01_037054,C1CNCCC1C(c2cc(C)c(C)cc2)NC(N)c(c3)ccc(c34)cnnc4 -MOL_01_037055,Cc1ccc(cc1)C(N)(N)Nc2cc(cnc2C)-c(n3)ccc(n34)ncc4 -MOL_01_037056,Cc1ccc(cc1)NC(O)C(C(C)C)c2nc(O)cc(n2)N3CCOCC3 -MOL_01_037057,Clc1ccc(cc1)C(=O)N2N=C(C)C(C2=O)/C=N/c3ccc(cc3)S(=O)(=O)Cc4ncccn4 -MOL_01_037058,Cc1cccc(c1C)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_037059,Cc1ccc(c(C)c1C)NC(O)Cc2nc(O)cc(n2)N3CCOCC3 -MOL_01_037060,Cc1ccc(cc1C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_037061,c1cncc(c12)cccc2S(=O)(=O)CCCNCCOCc3ccc(Cl)cc3 -MOL_01_037062,Cc1ccc(cc1)C(O)(O)Nc2cc(cnc2C)-c(c3)ccc(c34)nc(o4)N -MOL_01_037063,CNc1cc(ncn1)-c2ccc(o2)C=O -MOL_01_037064,Cc1c(C)cc(cc1C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_037065,Cc1ccccc1NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_037066,CC(C)(C)Nc1cccc(c1)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_037067,Cc1ccc(c(C)c1)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_037068,N#Cc1cccc(c12)c3n(n2)cccn3 -MOL_01_037069,Cc1cc(C)c(cc1C)NC(N)Cc2nc(N)cc(n2)N3CCNCC3 -MOL_01_037070,COc1ccc(cc1)S(=O)(=O)C(CC)c2nccc(n2)-c(c3)ccc(c34)nc(s4)CC(=O)C -MOL_01_037071,Cc1ccc(cc1C)C(C2CNC2)NC(O)c(c3)ccc(c34)cncc4 -MOL_01_037072,COc1ccc(cc1)S(=O)(=O)Cc2cncc(n2)-c(c3)ccc(c34)nc(s4)CC(=O)C -MOL_01_037073,c1ccccc1N(OC(N)OC2)C23N=CC=C3c4ccccc4 -MOL_01_037074,Cn1nccc1-c2ccc(cc2)C(=O)NCCN -MOL_01_037075,Cc1ccc(cc1)-c2nncn2-c3cccnc3 -MOL_01_037076,CCNC(=O)Cc1ccc(cn1)CNc2ncsc2C(=O)Cc(c3)ccc(c34)OC(O4)(F)F -MOL_01_037077,NCc1cccc(c1)CC(N)CNc2cncc(c2)CCc3ccncc3 -MOL_01_037078,Cc1nnc(c12)cn(N)c(c2)-c3cncc(c3)NCC(N)Cc4ccccc4 -MOL_01_037079,C1CNCCN1c2cc(N)nc(n2)CC(N)Nc3ccccc3NCCN4CCCC4 -MOL_01_037080,Cn1nccc1N2C=CN(O2)C(=O)NC3CNCCC3c4ccc(Cl)cc4 -MOL_01_037081,C1CNCCN1c2cc(N)nc(n2)CC(N)Nc3ccccc3NCc4cccnc4 -MOL_01_037082,CCCn1cnnc1-c2nc(cs2)NC=O -MOL_01_037083,CCCCCNCCNc1cnccc1-n2cnc(c2)C(C)C -MOL_01_037084,CCn1cnnc1-c2nc(cs2)NC=O -MOL_01_037085,C=CC1c(c(n2)N)c(N)nc2C13N=CC=N3 -MOL_01_037086,Cc1ccc(cc1)CCCNCCNC(N)(N)c2cccc(c23)cncc3 -MOL_01_037087,Cc1nc(N)c(F)c(=O)n1C -MOL_01_037088,c12c(n1)c3c(ncn3)c(N)ccc(cc2)C4=NC=C4 -MOL_01_037089,N#Cn1c(CC=O)nccc1=O -MOL_01_037090,CCCNc(n1)ncc(c12)cccn2 -MOL_01_037091,Cc1ccc(cc1)CNCCNCCNC(N)(N)c2cccc(c23)cncc3 -MOL_01_037092,CCNc1cc(ncn1)CSCC -MOL_01_037093,Oc1cc(ccc1)CCC(=O)Cc2cc(cs2)-c3ccccc3 -MOL_01_037094,CC(C)(C)OC(=O)CC(C(=O)C=C)Cc1ccccc1 -MOL_01_037095,c1cccnc1CC2C(N)C(CNC2)Cc3ccccn3 -MOL_01_037096,c1cccc(NS(=O)(=O)C)c1C(C)Cc2cc(Br)ccc2 -MOL_01_037097,c1ccccc1C(N)N(CC2)CCN2C(N)c3c(Cl)ccc(c3)Cc4nnc(N)c(c45)CCCC5 -MOL_01_037098,c1cc(F)ccc1C(N)CCCN(CC2)CCC2c3c(C)nc(c34)cn(CN)cc4 -MOL_01_037099,c1ccc(Cl)c(Cl)c1Cc2c(CN)nn(c23)c(C)cc(n3)-c4ccncc4 -MOL_01_037100,c1ccccc1CNC(=O)NCc2c(Cl)cccc2 -MOL_01_037101,C1CC1C(=O)Nc(n(n2)C)cc2C(=O)N(C)Cc3c(C)nn(C)c3C -MOL_01_037102,c1cc(S)ccc1C(=O)Nc(cccc2)c2-c3ncn(n3)-c4cc(OC)ccc4 -MOL_01_037103,c1cccc(c12)N(C(C)(C)C(C2)=N)C(=N)CN(C(C3)=N)C(=N)C3(C)c4ccc(cc4)ON(F)F -MOL_01_037104,CCCC(O)c1c(nc(CN)nc1)N2CCCC2 -MOL_01_037105,c1cc(Cl)ccc1CN2C(=O)C(CC(C)C)Nc(c23)ncnc3N4CCOCC4 -MOL_01_037106,C1CCCC1C(C2=N)C(CC2)C(=N)CCc3c(Cl)cc(F)cc3 -MOL_01_037107,CCCCC(=C1)N=C(C2=O)C1=Nc(c23)n(nc3)-c4ccccc4 -MOL_01_037108,c1cccc(c1C(F)(F)F)NC(=N)NC2CCC(CC2)Oc3ccc(F)cc3 -MOL_01_037109,c1cccc(C)c1CCC(=O)c2cncc(n2)-c3ccc(cc3)OCC -MOL_01_037110,c1ccccc1Cc2nnc(c(c23)cccc3)N4CCN(CC4)c(nc5)ccc5CN -MOL_01_037111,CCCCC(=O)Nc(c(C)c1)cc(c12)nn(n2)-c(cc3)ccc3CN -MOL_01_037112,C=C(N)c(c1)c(Br)cc(c1C(=C)N)Cc2ccc(C)cc2 -MOL_01_037113,NCCCCCCCN(c(c12)nccc2)C(C1)(N)c3ccc(Cl)cc3 -MOL_01_037114,CNC(=O)c1cc(cnc1)\C=C\c2c(C)cccc2C -MOL_01_037115,c1cc(C)cc(c2C)n1cc(c23)nnn3 -MOL_01_037116,COc(c1)cc(OC)cc1NC(N)c2cc(C3CC3)nc(c24)n(nc4C)-c5ccccc5 -MOL_01_037117,CC(C)(C)c(c1)nc(N)c(c12)=NC(=O)C=2Cc3ccc(C)nc3 -MOL_01_037118,CC(=O)c1ccc(nc1)Oc(c2)ccc(c23)CN(CCC3)CCCC(F)(F)F -MOL_01_037119,Cc1cc(C)cc(c1)NC(=O)Cn(cn2)c(C)c2C(=O)NCc3ccc(C)cc3 -MOL_01_037120,CCCNc1nccc(c12)cnc(n2)Nc(cc3)c(OC)cc3-c4cnn(C)c4 -MOL_01_037121,C1CN(C)CCC1Nc2nc(N3CCOCC3)nc(c24)cc(OC)c(c4)OC -MOL_01_037122,C=NC(=O)C(N)Cc1ccccc1 -MOL_01_037123,n1ncn(c12)c3c(nc2N)ccc(Cl)c3 -MOL_01_037124,Cc1nccn1-c(nccn2)c2C3CCCN(C3)C4CCCC4 -MOL_01_037125,C1CCCCN1CCN(C(N)=Nc(c23)ccc(Cl)c2)C3c4ccc(N)cc4 -MOL_01_037126,CCC(=O)NCC(=O)N(C1)CC1N(CC2)c(c23)nc(N4CCCCC4)nc3-c5cnc(N)nc5 -MOL_01_037127,C=C(N)c1c(C(N)O)cc(CC)cc1 -MOL_01_037128,CC(=O)CNC(=O)Nc(c(c1)CC)cc(c1CC)CN2C(C)NNc(c23)cccc3 -MOL_01_037129,Nc1c(N)ccc(c1)NC(=O)Nc(cc2)cc(c23)N(N)C(=O)CC3 -MOL_01_037130,C1CCCc(c12)nc(c(N)c2N)OCCCN3CCN(CC3)c(cc4)nc(c45)cccc5 -MOL_01_037131,c1cncc(Cl)c1-c2cc(=N)n(C)c(n2)N3CCON(C3)c4ccc(cc4)ON5CCCCC5 -MOL_01_037132,CNCC(C)CCN1CN(c(c12)cccc2)c(c3N)cccc3 -MOL_01_037133,CCN(CC)CCCCn(c(n1)-c2ccccc2)c(c13)nc(C)nc3N4CCOCC4 -MOL_01_037134,NCc1c(CN)ccc(c12)C3N(C2=O)c4c(C3)cccc4 -MOL_01_037135,c1ccc(S(=O)(=O)C)cc1-c(n2)ccn(c23)ncc3-c4ccc(cc4)S(=O)(=O)C -MOL_01_037136,c1cccc(N)c1NC(=N)CCCCCNC(=N)c2ccc(C(C)(C)C)cc2 -MOL_01_037137,N1CN(CN2)CC(C12)CC(=O)C3(C)CC(CCC3)(c4ccccc4)c5ccccc5 -MOL_01_037138,c1cccc(c12)cccc2CNCN3CCCCC3N4CNCNC4 -MOL_01_037139,Cc1cn(cn1)-c(c2CN)ccc(c2)Nc(ccc3)c(c34)nn(c4)-c(ccc5)cc5CN -MOL_01_037140,C1CCN(C12)C(=O)N(C2=O)CCCCCCNCC(CC3)Oc(c34)cccc4 -MOL_01_037141,Fc1nc(F)nc(c12)N(C(C)C(=O)N2)Cc(c3C)ncc(C)c3ON -MOL_01_037142,c1nc(N)ccc1C#Cc2c(CC)ncnc2-c(cn3)ccc3C(=O)N4CCN(C)CC4 -MOL_01_037143,C1[*][*]CC(C12)C(=N)N(C2=N)c(c3)ccc(c34)C(=N)N(C4=N)CC(=N)c5cc(C)c(C)cc5 -MOL_01_037144,c1ccccc1-c(c2C#N)nc(nc2Cl)OCc3ccccc3 -MOL_01_037145,c1ccccc1CNCC2(NC)CCN(CC2)c(nc3)ccc3Cl -MOL_01_037146,CC1CCN(CC1)CCNc(c2-c(cc3)nc(c34)cccc4)nc(nc2O)N5CCOCC5 -MOL_01_037147,FC(F)(F)c1ccc(cc1)CNC2C(NNNN2)NCc(cc3)ccc3C(F)(F)F -MOL_01_037148,n1nnnc(CC(=C)N)c1C(=C)Cc2c(CC)nnc(C3)c2CC(CC4)C3c(n5)c4nc(c56)CCC6 -MOL_01_037149,C1CCCC1NC(O)NC(O)CNCc(ccc2)cc2CC -MOL_01_037150,c1cc(Cl)ccc1Cn(c2C)nc(c23)C(=N)C4C(C=N3)CCC4 -MOL_01_037151,c1ccc(Cl)cc1C(=C2C(=O)CN)CC(CCC23)N3C(=O)N4CCCC4 -MOL_01_037152,C1CCCCN1c(c(c23)cccc3)nnc2-c4cc(N)c(N)cc4 -MOL_01_037153,CC(C)(C)c1c(F)c(C)n(n1)CC(N)N2CCN(CC2)c(c3)ccc(F)c3ON -MOL_01_037154,CCc1ccc(cc1)-c(cc2)nn(c23)c(nn3)CN -MOL_01_037155,NCc1ccc(cc1)-n(c2=O)ncc(Cl)c2Cl -MOL_01_037156,CCc(cc1)ccc1CC(C)(C)CCN(C)NCc2c(CN)cccc2 -MOL_01_037157,C=C(N)c(c1)ccc(c12)OC(C)(C)C(C)C2CCCC3CNNC3 -MOL_01_037158,c1cc(CN)ccc1C(=O)N(c2ccccn2)CC(C)N3CCN(CC3)c4cccc(c45)OCCO5 -MOL_01_037159,CC(=O)CCC(C)CCC(C)CCC(=O)c1c(C)nnnn1 -MOL_01_037160,Nc1cc(N)ccc1 -MOL_01_037161,c1cccc(CC)c1CC(O)Cc2c(C(O)CC)nc(c23)ccn(C)c3 -MOL_01_037162,c1ncccc1-c(cc2)cc3c2CC4(C35C=C(N)C(=N5)N)CCc6c(CC4)cccc6 -MOL_01_037163,c1ncccc1C(=N)CN(C2)C(C(CC23N(C)C)c4ccccc4)C(C3)c5ccccc5 -MOL_01_037164,c1ccccc1N(C(=O)CC)C2(COC(=O)OCC)CCN(CC2)CCn3ncnn3 -MOL_01_037165,N#CC1NC(N1)CN(C(C(C)=N)NNC(C)(C)C)Cc2ccc(Cl)cc2 -MOL_01_037166,CSc(cc1)ccc1-n2cnc(Cl)c2-c(cc3)cc(c34)NN(C4)N -MOL_01_037167,c1nccn1CC(O)N(C2)CCCC2N(C)CCc3cc(OC)c(cc3)OC -MOL_01_037168,NCC1CC(CC1)Cn(cn2)c(c23)ncnc3N -MOL_01_037169,NCc1c(N)cccc1S(=O)(=O)c(c2N)cccc2 -MOL_01_037170,C=C(N)c(c1)ccc(CC(C)(C)N2)c1C23C(C)C=C(C3)OC -MOL_01_037171,C1CNCCC1Nc2c(C(=N)C3CC3)cnc(c24)ccc(c4)-c(cc5Cl)cc(Cl)c5N -MOL_01_037172,CC(C)(C)CC(=O)NCCCCc(c1)c(CC)cc(c12)ncnc2-n(n3)c(N)nc3-c4ccccn4 -MOL_01_037173,c1c(O)ncc(c1C(C)(C)C)C(O)Nc(c(cc2)N(CC3)CCN3C)cc2-c(cn4)ccc4C -MOL_01_037174,CNCCNC(=O)c1cc(n(n1)-c2ccccc2)NC(=O)c3c(N)ccc(c3)-c4c(Cl)cccn4 -MOL_01_037175,c1ccccc1-c2c(cccc2)NCc(c3C)ccc(c34)c(cc(c4)N)N5CCNCC5 -MOL_01_037176,CCOC(=O)CC(C1=O)N(CCC1)C(=O)C(C2)=CC(C=23)=Nc4c(C3=O)cccc4 -MOL_01_037177,C1SCCC1C(=O)Cc2ccnn2Cc3c(F)cccc3 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-MOL_01_037388,c1ccccc1-n(n2C)c(=N)c(c2C)N(C3=N)C(=N)c(c4c3ccc5c46)ccc6CC5 -MOL_01_037389,CNCc(n1)nn(c12)c(cc(n2)C)Nc3cc(Cl)ccc3 -MOL_01_037390,n1nnnnc1\C=C\CC(=N2)N=NN(N23)N=NC(F)=C3 -MOL_01_037391,CCCCC(C(=O)C)CC(N)C(=O)C -MOL_01_037392,c1nc(ON)ccc1CNC(=O)Nc(cc2)ccc2Cc3ccccc3 -MOL_01_037393,c1cccc2N(C(=N)CCN)C(c(ccc3)cc3CN)Cc(c4c12)nc(nn4)OC -MOL_01_037394,NC(N)C12CC3CC(C1)CC(C2)C3 -MOL_01_037395,CNCC(=O)c1c(C)nc(CCCC)n(c1=O)Cc2ccc(cc2)-c(c3C(=O)C)cccc3 -MOL_01_037396,CN(C)C(=O)NCc(c1)nn(c12)CCN(C2)CC3CCN(C(C)C)CC3 -MOL_01_037397,c1cccc(OC2)c1c(c23)n(nc3)CC(N)N4CCN(CC4)c5ccccc5 -MOL_01_037398,Cc1nc(CC)nc(c12)n(cn2)CC3CCCCC3 -MOL_01_037399,NCc1cccc(c12)N(CCC2)CNCN3CCN(CC3)C4CCCCC4 -MOL_01_037400,c1cc(Br)ccc1C(=O)Nc2ccc(cc2)-n3ccnc3 -MOL_01_037401,CN1CCN(CC1)c(cc2)cc(OC)c2NC(=O)c3cccc(n3)-c4cnn(C)c4 -MOL_01_037402,CC(N)c1ccc(cc1)S(=O)(=O)Cc2ccc(cc2)-c3ccc(nn3)N4CCCCC4 -MOL_01_037403,CCCCCn1nnnc1C2C(O)CCC2 -MOL_01_037404,C1CCCCN1C(=N)c2nn(-c3c(F)cccc3)c(c24)c5c(S(=O)(=O)C4)cccc5 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-MOL_01_037421,C1CN(C)CCN1CCCCCc(cc2N)nc(c23)ccc(Cl)c3 -MOL_01_037422,O=CNNC(=O)CCc1c(C)cccc1 -MOL_01_037423,NC(N)(N)c1ccc(cc1)Nc(c(c23)cccc3)nnc2-c4cccc(c45)nccc5 -MOL_01_037424,c1cc(F)cc(c1C)Nc2nc(N3CCOCC3)nc(n2)N4CCOCC4 -MOL_01_037425,c1ccc(F)cc1-c(cn2)n(c23)cc(nc3)-c4ccc(cc4)N5CCNCC5 -MOL_01_037426,C1CC1CCc(c(n2)CC)nc(N=C3)c2C(=O)N(C34)CCC4 -MOL_01_037427,c1cc(F)c(Cl)cc1Cn(cc2)c(=N)cc2-c3ccnc(n3)NC4CCOCC4 -MOL_01_037428,CC(=O)NCC(C(=O)OCC)c1cn(C(=O)OCC)c(c12)cccc2Cl -MOL_01_037429,c1ccccc1-c(n2)cn(c23)cc(c(n3)N)-c4cc(Cl)ccc4 -MOL_01_037430,Nc1c(F)ccc(c1)S(=O)(=O)c(c2N(CC3)CCC3C)cnc(c24)ccc(F)c4 -MOL_01_037431,C1CN(N)CCC1N(N)Cc2ccc(cc2)-c3ccccc3 -MOL_01_037432,c1cc(F)cc(F)c1-n(cc(c2=O)C(=O)C)c(c23)c(C(F)(F)F)c(c(F)c3)N(CC4C)CCN4 -MOL_01_037433,C=C(N)c1cc(ccc1)CNc(n2)nn(c23)c(C)c(c(n3)C)CC(O)CC -MOL_01_037434,CC(F)(F)CNCCCN(c1cc(OC)cc(c1)OC)c(c2)ccc(c23)ncc(n3)-c4cnn(C)c4 -MOL_01_037435,CCc1c(F)ccc(c1)CC(N)Nc(n2)nc(N)cc2C3CCOCC3 -MOL_01_037436,C1CCC1CCc2c(NN)cc(cc2)-c3cc(ncc3)Nc4ccn(n4)C5CCNCC5 -MOL_01_037437,CCC(N)c1cc(ccc1)CC(N)N(CC2)CCC2Oc3cc(Cl)ccc3 -MOL_01_037438,c1ccccc1NC(O)CCCCCNC(O)CC -MOL_01_037439,c1ccccc1CC(C(=O)N(CC)CC)N(C2=O)C(=O)c(c23)cccc3 -MOL_01_037440,NC(=O)C(C)NC(=O)Cc(c1)ccc(c12)CCC2 -MOL_01_037441,COc(cc1)ccc1-c(c2C(=C)N)cn(c2)C(=O)OCC -MOL_01_037442,Cc1cc(ncc1)NC(=O)c2cncc(n2)C3CCNCC3 -MOL_01_037443,Clc1cc(Cl)cc(Cl)c1Cc(n2)cc(n(c23)ncn3)Nc(cc4)ccc4CN -MOL_01_037444,c1cncc(c12)cccc2SN3CCNCC3 -MOL_01_037445,NCc(c1)c(CN)cc(c12)ncnc2Nc3ccccc3 -MOL_01_037446,c1cc(Cl)ccc1NC(=O)CNC(=O)CN(C(=O)N2)C(=O)C23c4c(CC3)cccc4 -MOL_01_037447,C=S(=C)(N)c(cc1)ccc1CC(=O)c(c2C)cn(c23)ccc(c3)NC -MOL_01_037448,N1[*]Nc(c12)ccc(c2)CC(=O)c(c3)ccc(CN)c3CN -MOL_01_037449,N#Cc1cc(ccc1)C(N)NCCCCCN2CCN(CC2)c(c3CN)cccc3 -MOL_01_037450,c1cc(F)cc(c12)ncc(Sc(cc3)ccc3F)c2N4CNCNC4 -MOL_01_037451,CC(=O)C1CCN(CC1)CC(=O)Nc(n2)ncc(c2C)Oc(c3C(C)C)cc(Cl)c(c3)OC -MOL_01_037452,Cc1c(C)c(C)nc(c12)NC(=O)NC2 -MOL_01_037453,C1CC(N)Cc(c12)ccc(c2)C(N)CCC3CCC(CC3)CNCc4ccccc4 -MOL_01_037454,c1cc(CN)cc2n1cc(c23)C(=O)NCCN3C -MOL_01_037455,CCCN(CCC)CC(N)N1CCN(CC1)c2ccnc(c23)cc(F)cc3 -MOL_01_037456,NCc1cc(c(cc1)OC(F)F)NC(=O)Nc2c(Cl)cc(cc2)C3CNCCO3 -MOL_01_037457,N#Cc1cnn(c12)c(ccn2)NC3CC3 -MOL_01_037458,N1C(=O)COc(c12)ccc(c2)CN3CCN(CC3)c4cccc(c45)nc(C)cc5 -MOL_01_037459,c1ccc(Cl)c(N)c1CC(=N)C(NCSC)C(C2=N)Cc(c23)cccc3 -MOL_01_037460,CCCSCCOc(nnc1C(CC)N(C)C)n1CCN2CCCCC2 -MOL_01_037461,CCC(N)C(=O)N1CCCC1C(=O)NCC(C)C -MOL_01_037462,CCc(cc1)ccc1C(=O)CN(C(=O)N2)C(=O)C23c4c(CC3)cccc4 -MOL_01_037463,NCCC(Cl)N1CCN(CC1)Cc2cc(nn2C)-c3ccncc3 -MOL_01_037464,c1ccccc1-c(cc2)ccc2C(N)NCCCCN(CCC)C(C3)CCn(c34)ncc4Cl -MOL_01_037465,NCCC(=N)N(CC)c(cc1)ccc1Cc2c(cccc3)c3nc(c24)c(N)ccc4 -MOL_01_037466,CC(=O)C(N)C(CC(=O)C)c1ccc(Cl)cc1 -MOL_01_037467,CCCC(N)N(CC1)CCC1(N)c2cc(N)ccc2 -MOL_01_037468,CC(C)CC(=O)N(CC1)CCC12C3C(C(=O)N2C)CN(C3)C(=O)N(C)C -MOL_01_037469,CCOC(O)CCCNC(O)CN1CCN(CC1)c2ncccn2 -MOL_01_037470,c1ccccc1CCc2nc(ccn2)N3C(CCC3=O)c4ccccc4 -MOL_01_037471,NCCCCC(=O)c(c1=O)cn(C)c(c12)ccc(c2)CN(C)C3NNNNN3 -MOL_01_037472,CC(C)Oc(cc1)ccc1C(c2cccnc2)N(CC3)CCC3NC(N)N(CC)CC -MOL_01_037473,CN1CCN(CC1)c(nn2)ccc2Nc(nc3)nc(c3c45)n(c4cncc5)C6CCCC6 -MOL_01_037474,CNCCC(CCNC1)CC1(C(C)(C)C)C(=O)CCc2ccccc2 -MOL_01_037475,c1cc(C)ccc1CN(C)C(=O)CN(C2)CCCC2Cn3cncn3 -MOL_01_037476,c1ccccc1C(N)CCc(n2cnn3)c(CN)c(c4c23)CCCC4 -MOL_01_037477,c1nccn1CC(C)CNC(=O)c2cccc(n2)-n3cccn3 -MOL_01_037478,NCC#Cc(c1)c(Br)cc(c12)nc(CCC)c(n2)CCC -MOL_01_037479,n1cccc(c12)cccc2OCCCc3cn(nn3)Cc4cc(F)c(F)cc4 -MOL_01_037480,C=C(N)c(c1)ccc(c12)ncc(n2)-c3ccccc3 -MOL_01_037481,c1ncccc1CNC(c2ccccc2)CC(=O)N3CCN(CC3)C(CN)c4c(C)nccc4 -MOL_01_037482,Fc1cccc(N)c1C(N2)=NC(C=23)=c4c(=NC3=N)cc(cc4)-c5c(N)cccc5 -MOL_01_037483,CC(O)C(CC1)N=C1c2cc(N)ccc2 -MOL_01_037484,c1ccc(N)cc1CCc(c2)cnc(c23)N(CC)c4c(cccn4)N(O)C3N -MOL_01_037485,FC(F)(F)Oc(cc1)ccc1-c(c2)ncc(c23)OCCN(C3=O)Cc(n4)nccc4C -MOL_01_037486,CCc(n1)nn(c12)c(cc(n2)C)Nc(c3CN)cc(Cl)cc3 -MOL_01_037487,C#Cc1ccc(cn1)-c2nc(-c(n3)occ3N)c(C)c4C=CNc(c5c24)cccc5 -MOL_01_037488,CC(C)C(=O)C1=CCN(C=C1)c(c2)nc(C3CC=CC=N3)cc2-c4c(C(F)F)nn(c45)cccn5 -MOL_01_037489,c1nc(Cl)cc(c12)n3c(c2CC(N)O)CCN(C3)C(N)c(c4)nnc(c45)nccc5 -MOL_01_037490,c1nc(Br)ccc1C2[*]C(C3=C[*]N(C(C)O)C=C3)CC2c4nnnc(c45)cccc5 -MOL_01_037491,c1cncc(c12)N(CC=C2N)CCc(cn3)cc(c3CC(O4)C45)c6c(C5)cnc(F)c6N -MOL_01_037492,CC(=O)CC(O)Cc1c(nccc1)Cc(c2c3[nH]cc2)cc4Cc(c5c34)ncc(c5)C6CCCCO6 -MOL_01_037493,c1cc(F)ccc1-c(cc2C(=O)N)n(c23)c4c(cn3)ncc(c4)CN=O -MOL_01_037494,c1cc(Cl)cc(c1C)-c(c2)cn3C(=O)NCc(c4c23)ncc(c4)C5(F)CC5 -MOL_01_037495,NCc1cc(CC)nc(c1C23C)C=C2C(CN)c4c(C3)c(OC)ccc4 -MOL_01_037496,NCc1ccc(cc1)-c(c2)cc(c3c2c4c56)n(cnc3)[nH]c(c5cc4)ccc6 -MOL_01_037497,C1CNCCN1C(=O)n(c(c23)cc(cc3)OC)c(c2-c4ccncc4)Nc(c5C)cncc5N -MOL_01_037498,c1cc(CN)c(CC)c(c12)S3C2=Nc4n(C3)ccc4-c5ccccc5 -MOL_01_037499,c1cccc(Cl)c1-c(c2S)c(C)n(c23)CCNC3c4c(N)cc(Cl)cc4 -MOL_01_037500,N#Cc1c(F)cc(cc1)-c2c(N)n(c(c23)cccc3)C(C)c4nc(co4)-c5ccccn5 -MOL_01_037501,n1ccncc1-c(c(F)ccc2)c2C(=O)C(N3)CCN(N34)NC4c(cc5C)ncc5 -MOL_01_037502,c1cnccc1Cc2c(ncc(C)n3C(=O)CC)c3c(c24)cc5c(c4F)cncc5 -MOL_01_037503,c1cccc(NCN)c1-c(n2)ncc(c2c3c45)c(-c6ccccc6)n3c4cccc5 -MOL_01_037504,n1nc(Cl)cc2c1c(c23)cc4n(c3)c5c(c(n4)N)cc(n5)-c6c(F)cccc6Cl -MOL_01_037505,c1nccc(CO)c1Cc2ccc(nc2)-c(n(c34)c(Cl)nnn4)nc3C5=NOCC5 -MOL_01_037506,Cn1ccc(Cl)c1C(=O)CC2(C)C(O)N(c(c23)ccc(Cl)c3)NCc4ccccn4 -MOL_01_037507,FC(F)(F)Oc1ccc(nc1)NN2C(O)N(C)CC2c3c(CCC=O)nccc3F -MOL_01_037508,CCC(=O)NC1N(C2CCCC2)c(c13)c(Cl)c(cn3)-c4ccccn4 -MOL_01_037509,[*]C(=C)C(C)(C)CNC(O)c(cc1C=N)c(N)c(n2)c1cc(c2c34)Cc3cccc4O -MOL_01_037510,COc(c(n1)F)ccc1C(n2cccc2)NC(=C)C(=C3)N=C(F)N(C3=4)C=NN(C4)CC(C)CCF -MOL_01_037511,c1cnc(F)cc1NC(=O)Cc(c2C=C(C3)n4cccn4)cc(c=5c2=3)N=C(C5)CCN -MOL_01_037512,c1cccc(c1c23)C(=N)c2cc(CN)c(c3)-c4nc(C5=CNC5)n(c46)cccc6N -MOL_01_037513,CC(=O)CC(C)c1c(c12)nc(c2)CC(C3)CC(=N)c(n4)c3cc5c4OCC(=C56)C6 -MOL_01_037514,[*]CC12c3c4c(c(C=C4)c(c3)CC=N)C5N2N5/C=C/C=N\C=C\1 -MOL_01_037515,CN(C)CCCc1ccc(cc1)C(Nc(c2)cc(c3)N)C(=c(n4)/c=5ccc4c23)/CC(N)(O)\N=C/C5 -MOL_01_037516,c1nnccc1C(C)Cc(c2N)c(-c(ccc3)cc3CN)nn(c24)c(cc4)-c5ccc(F)nc5 -MOL_01_037517,CCCOc(c1)c2cc(c3c(C4)ccnc3)c1CC4=C(C2=5)N=C(C5)OC6C=CCC=C6 -MOL_01_037518,C\1=N/OCCCCCc(c1c2c3n(c45)cnc4)ncc2C/C=C\C=C\c3cn5 -MOL_01_037519,CC(C)CNCc1ccc(cn1)-c(c2nc(c3c24)cccc3)cn(O)c4OCCC -MOL_01_037520,NCCNC(=O)N(C=CC1)C2=S(C=3C=12)C(=NC3)Cc4ccccc4 -MOL_01_037521,c1ncccc1C(n2cccc2)c3c(-c(c4C)cccc4)n(nn3)-c(c5C)ccc(c5)N -MOL_01_037522,[*]C(N)c1cccc(n1)\C(=C/C=N\C=C\2)\C=c\3c2cnc(c3=4)N=C(C4)C(C)C5CCCC5 -MOL_01_037523,NCc1ccc(cc1)-c(c2)ccc(c2C345)CC3=CC=CC4=NC(=C5)n6nccn6 -MOL_01_037524,Cc(c1)ccc(c12)cn(c2)-c3c(nncc3)N4C(NC(C4=5)N5)c6ccc(Cl)cc6 -MOL_01_037525,NC(O)NCCC(C(=C1)CC)=CN(N1n(c23)ccc2)N=C3Cc4c(C)cccc4N -MOL_01_037526,C1=CC(C(F)(F)F)=C[*]C12c3c(ccc(c3)O)NC(=O)C=4/C(C=CC4)=C/NCC2O -MOL_01_037527,CC(N)(N)c1ccc(cc1)-c2nc(-c(nn3)ncc3C)n(c24)c(C(F)(F)F)cc(C(F)(F)F)c4 -MOL_01_037528,COC(=O)Nc(c(N)c(c1)N)cc1CCc(c2CC)n(-c3cnccn3)cc2-c4ccccn4 -MOL_01_037529,C1CC1C(=O)C2CCC(CC2)c(cn3)cc(OC)c3Cc4cc(c(N)nn4)-c(cn5)n(c56)ccnc6 -MOL_01_037530,C1CN(C(=O)N)C(C=12)c3c(C([*])=[*]2)ncc(c3)-c4cc(N)ccc4 -MOL_01_037531,c1cc(Cl)c(N)cc1CC(=N)Cc2cccc3c(c4c23)cncc4-n(c5)nc(c56)cccc6 -MOL_01_037532,c1cc(CN)cc(nc2)c1c3n(ncc4)c(c4c5c23)nccccc5 -MOL_01_037533,n1nnccc1C(CC2)CCC2CCNCC3(N)C(NC)CNCc(c4)n3c(c45)cc(F)c(F)c5 -MOL_01_037534,CCC(=O)c1c(F)cc(nc1)-c(cccn2)c2CC3=C(N)c(c34)ccc5c4ccc(F)c5 -MOL_01_037535,CC(O)CCCC(=CN1C)C=C(C2)C12c(ccn3)nc3CCc(c4)nc(c45)cn(O)cc5 -MOL_01_037536,[*]1=C[*]=C=CC=C1CNCN(C(C2)NC)S(C2=3)c4c(cc(Cl)cn4)C=CC=CC3 -MOL_01_037537,Fc1cncc(c1C(=O)C)CCC2(N)CCC(C23C)=Cn4c(C3)cnc4-c5ccc(F)cc5 -MOL_01_037538,n1cccn1C(=C2)N(CC=C2C)C(=O)C3C=CC3c4cnn(c4)-c(c5C)cncc5O -MOL_01_037539,n1cc(Cl)ccc1CC(O)n2c(=O)n3/C=N/C=C\N=C/Cc4cccc2c34 -MOL_01_037540,n1nccnc1C2(N)CC(C)=Cc(c23)cnc(c3)-c4cc(Cl)cnc4 -MOL_01_037541,n1cccc(c1C=23)C=C3C=C(c4cccnn4)C2c5ccc(cc5)S(=O)(=N)N -MOL_01_037542,CC(C)C(=O)C1=CCC(NC1)c2cc(-n(c(C(F)F)c3)c(c34)cccc4)nc(n2)C5CCOCC5 -MOL_01_037543,CC(=O)c1ccc(cc1)C(=CC(C(F)(F)F)=C2)N(N23)N=CC=C3c4ccn(c4)-c5ccncn5 -MOL_01_037544,NCc(n1)nnc(c1c23)/C=N/c4c(cccn4)C(=N)c2nccc3 -MOL_01_037545,C1/N=C(/[H])C(/OC)=C\N=N\C(C=1\C23C=C(C=O)N3)=C(NC)C(C2)Cc4c(F)ccc(Cl)c4 -MOL_01_037546,FC(F)(F)c1cc(ccn1)CC(=N)c2c(O)cnc(c2)-c(c3)cn(c3c45)c4ccnc5C -MOL_01_037547,NC(=O)CCC1=CCC(CC1)N(c(c23)nc(N)nc2C)C(=C)C(=C3)c4cnc(nc4)OC -MOL_01_037548,c1cccc(Cl)c1C([*]C(C2)C(NC3)[*]C3O)c(c2c45)nc4occc5 -MOL_01_037549,CCCCCCNc1cncn(c12)nc(-c3cccnc3)c2-c4ccccc4 -MOL_01_037550,N1CNCC1Cc2ccc(cn2)-c(c3c45)nc4cccc5c(=O)[nH][nH]n3 -MOL_01_037551,CC(C)(N)C(O)C(O1)CC([*]1=2)=CC=3N(CC3)C2c4ccccc4 -MOL_01_037552,OC(F)(F)c1ccc(cc1)NCC(=O)NC(C2)=CC=C3N=C(CCC)C=C4N(N5)C=5C234 -MOL_01_037553,Clc1nccc(Cl)c1CC(NC([*]23)CCCN3)C2CC4=CCN(C=C4)C(O)NCCCC(C)C -MOL_01_037554,c1ccc(Cl)cc1Cc2nccc(c23)cnc(c3)N4N=C4N(CN5)CCC56COC(C)(C)OO6 -MOL_01_037555,CNC(=O)C(C1)C=NC(C1=C23)C2=Cc4c3cccc4-c(ccc5)cc5CNc6ccccc6 -MOL_01_037556,CC(O)(O)c1ccc(nc1)-c2cc(ncc2)-n(n3)cc(C(=O)CC4)c3C45CCCCC5 -MOL_01_037557,C1CC=C[*]C1C(N)c2ccc(nc2)-c(n3)ccn(c34)ccc4-c(ccc5)cc5C6(F)CC6 -MOL_01_037558,FC(F)(F)c1c(F)ccc(c1)C2C(=O)CN=c3ncc(c4c=23)cnc(c4)-c(cc5)ccc5C -MOL_01_037559,N1CCC=CN1c(n2)cc(C)c(c2CC(NO)CC(CO)CO)-n(c3)ccc3-c4ccc(Cl)cc4 -MOL_01_037560,NCCOC1C/N=C(\c2c(N3)cccc2)Cc(c4/C=C(\C135)N5)cc6c(c4)cccc6 -MOL_01_037561,CCc1c(OC)c(ncc1)CC(C)OC(C=2CCC)=NC(C23)=C(CCCC)C(N)=CC3=N -MOL_01_037562,c1cccc(c12)cnc(c2C)C(N)Cc(c3c4c35)ccc5n6c4cccn6 -MOL_01_037563,n1cnccc1-c2ccc(c(c23)CCC[*]3)NC(N)C4CCc(c45)nc(F)c(c5)CCC -MOL_01_037564,C=Cc(c1)cc(CC)c(OC2O)c1N(C2=3)ON(C3)c4nccnn4 -MOL_01_037565,CCCC(=O)Nn(c1)cc(c12)nc3c4c(cnnc4)c5c(c2c3)cnc(c5)CN -MOL_01_037566,c1nncn1-c(cc2)ccc2C(CC3CCC3)N4CCN(CO4)c(ncn5)c(c5C)-c6ccc(F)cc6 -MOL_01_037567,n1ncn2c(Br)c(CC(F)(F)C)c(c3c12)nc(cc3)-c4ccncc4 -MOL_01_037568,N1OCCC1c2ccc(cc2)-c(n3)ccc(c34)cc(N)nc4-c5ccccc5 -MOL_01_037569,c12c3nccc2cccc1NC3N4C=CN(CN4)c5c(O)c(O)nc(c56)cccc6 -MOL_01_037570,OC(F)(F)c1cc(ccc1)Cn(nn2)cc2C(C3)=CC(C=34)=NC(=O)N(C4=O)ONC -MOL_01_037571,NCNc(cc1)c(Cl)cc1-c(cc2-c(cc3C)nc(n3)C)n(c24)CC(C)CCC4 -MOL_01_037572,c1ccccc1CCNCCC(=N)n2c(C)nc(c23)cnc(c3)-c(cc4)ccc4CN -MOL_01_037573,C12=C3C\1=C/CCOON(c4c(\C=C\3)nccc4)C(=O)C/C=C\c5c2cccn5 -MOL_01_037574,CC(C)C(N)c(c1F)ccc2C(=O)Nc(cnc(n3)F)c3C(N)Cc(c4c12)ccc(c4)N -MOL_01_037575,C1=CN(C=C2)N(C)S(O)(O)c(cccc3)c3C12C(=O)N(CC4)CCC4Cc(cc5)nc(c56)CCC6 -MOL_01_037576,CC(F)(C)c1cncn1-c(ccn2)cc2-c3cn(cn3)CN(CCC4)c(c45)cccc5 -MOL_01_037577,C[*]c1c(N)ccc(c1)/C(/C=C/N=N\N2CN)=C(\C3C)/N=C/C2=C\C(=O)c(c34)ccc(Cl)c4Cl -MOL_01_037578,CC(N1)=CC(C)(C)CC12c3c(cc(c(Cl)c3)NC(=O)C)CC(C2)c4c(N)ccnc4 -MOL_01_037579,CC(C)C1C(C(N)CC)NC2=C(C=3C=12)C=C(N3)c4cccnc4 -MOL_01_037580,c1cc(F)ccc1CNC(O)c(c2NC)cnc(c23)cc(nc3O)Nc(c4)cnc(c45)CN=C5 -MOL_01_037581,CNC(=O)N(O1)C(N)CC1C2C=Cc(c=23)c4/c(cc3)=C\Cc5c(CC4)cc(Cl)cn5 -MOL_01_037582,c1cc(F)cc(F)c1-c(c2)cn(c23)CC(CC3)C(C)COCc4cncn4-c(c5N)ncc(c5)N -MOL_01_037583,ClC1[*]CC(CC1)CC(CN)C(C(=C)CC2(C)CC2)c(c(c3)C(=O)NCC)n(c34)ccc(Cl)c4 -MOL_01_037584,COc(n1)ccc(c1[*][*])NC(O)C(=C(C2=3)NCCCC3)C=C2c4ccc(N)cc4 -MOL_01_037585,NC1CC(C)C=C1Cc2ccc(c23)n(CC4=CC4)nc(c3)NN(NC)c5ccccc5 -MOL_01_037586,C1ON2C(N)C(C3=C12)=C(C(C)=C3)C(=O)COCc4nc(nn4C)-c5ccccc5 -MOL_01_037587,c1ccccc1C(C)ONC(O)NC(C2=O)=CC=C(C23)c4c(cccc4)C=3Cc5cc(N)ccc5 -MOL_01_037588,CCCC(=O)Cc1cnc(nc1)C2=CC(=CCC3C)N4C(=C2C34CC)CCCOCCC -MOL_01_037589,CCCONCCCC1(OC)C(=O)NCC1c2c(cc(N)cc2)-c(c3)cnc(c34)nccc4 -MOL_01_037590,n1cc(C)cc(C)c1CNC(=C)c(c2CC(C)C(=O)OC)c(=O)n(N)c(c23)ncnc3 -MOL_01_037591,NCCC(=C)Cc(c1)nc(-c2ccnnc2)c(c13)C(=O)Cc4cc3cc(Cl)c4 -MOL_01_037592,C1CC(C=O)CCC12c3c4c(cc(F)nc4)ncc3CCC5=CC(OC2=O)CNC=C5 -MOL_01_037593,NCc1ccc(cc1)C2=C(c3ccccc3)C(C)c(c24)nc5c(c4N)cccc5 -MOL_01_037594,c1ncccc1CCNc(n2)nc(cc2C)NC(=CN(N34)C=CC=C4)C3(N)Cc5ccccc5 -MOL_01_037595,c1cc(N)cc(N)c1CCc2c(N)c(O)c(c(n2)C)-c(c3C)nc(cc3)-c(ccn4)cc4C5(C)CC5 -MOL_01_037596,N=CNCNCCCN(CC(C123)(F)CN3)c4cc1c(cc4)c5c2cccc5 -MOL_01_037597,C1CCCCN1CCOc(n2)cccc2CN(N3)N=NN(C=34)C=C(C=C4C)c5c(F)cccc5F -MOL_01_037598,CC1CNN(N1)c(c2)c(F)cc(c3O)c2c(c(c34)CC4=O)-c(c5)cn(c56)cncc6 -MOL_01_037599,c1nc(Cl)ccc1C(C(\C)=C/2)(CC(N)O)C(\CCC(=O)NCC)=C(N3CC3)/Cc(c24)cccc4 -MOL_01_037600,c1c(N)ncc(c1C(Cl)=C)Nc(c2C)ccc(c2)N3C=CC=C(C3=C45)CC5N=C4 -MOL_01_037601,C=C(C)NCc1c(=O)n(c(F)c(c12)cccc2)C(=N3)CC(=N)Nc(c34)cc(C)cc4 -MOL_01_037602,C1C=CN(C(=O)N)C(=C/[*]=C\2)/C=1/C=C(\C23)N=CC=3c4ccc(cc4)S(=O)(=O)C5CCOCC5 -MOL_01_037603,c1nccc(N=C2C#N)c1C23C(C)=CC(=C3)c4c(Br)cccccccc4 -MOL_01_037604,CCCCN(CCCC)C(=C)NCC(C(C1)=N)NC(c(c12)nc(Cl)nc2)c3c(F)ncnn3 -MOL_01_037605,c1ccnc(c12)n(cc2)N(C3=O)C(C(C)N3)Cc4cc(ccc4)NC(C5)CC5c6cc(N)ncn6 -MOL_01_037606,c1cccc(Cl)c1C(C2=O)=CC(CCNC)=C2Cc3ccc(nc3)-c4c(S(=O)N)ccnc4 -MOL_01_037607,c1ncccc1CC(C2=N)CCCNCN3c(c4C23C)ccc(c4)O -MOL_01_037608,n1cccc(OC)c1C(=[*]2)C=NC([*]23)=CC=C3c(n4)cncc4C(CC)CCC(F)F -MOL_01_037609,c1cccc(NC)c1CCc(c2C(F)(F)F)nc(nc2)C(C)c(nc3)cc(c34)N5C4CCNC5 -MOL_01_037610,Clc1cc(N)cc(c1CN)CC(C)c(nc(c23)nccc3F)c(c2N)-c4ccccc4 -MOL_01_037611,Clc1ncnc(c1C(=O)C)C(CC)NCCc2nc(cn2C)-c3ccc(F)c(n3)F -MOL_01_037612,n1cc(F)ncc1CCC(O)CCCN2C(O)=CCn(c23)cc(c3)-c4cnnn4C -MOL_01_037613,c1cccc(c1CCN)-c(cc2C(=O)N)cc(c23)n(c(n3)O)-c4ccccc4 -MOL_01_037614,O=CCCCn1ccc(c1=C23)=C(CNC)C(=O)C2=CC=C3 -MOL_01_037615,CCc(c1)ccc(c12)cc(-n(cc3C)c(c34)cccc4)[n+]([O-])c2-c(cn5)cnc5CN -MOL_01_037616,C1C(=O)OCCON(CN)N(c2ccccc2)Cc3c1ccc4n3cc(c45)cccn5 -MOL_01_037617,NC1Nc(c12)c(ncn2)CC(=N)C3CCN(CO3)c4ncnc(c45)cc(CC)nc5 -MOL_01_037618,O1CNCCC1c(cc2)ccc2Cc(c3)ncc(c34)n5c(cccc5)c4C6=COCC6=N -MOL_01_037619,C1NCc(c12)nc(nc2)CCC(C)CC(C3=O)C=C(C3=4)c5c(cncc5)CC4CCc6c(F)cccc6 -MOL_01_037620,[*]1NCCC(C1=2)S(N)c3c(nccn3)C(C2)Nc(n4)nccc4C -MOL_01_037621,c1cc(Cl)ccc1-c(cc2C(=O)NN)nn(c23)c(nc3C)-c4ccccc4 -MOL_01_037622,C1CCCC1NC(O)Cc2cc(c3n(c24)c(C)cc4)cnc(c3)-c(ccc5)cc5CN6C=CN(C)CC6 -MOL_01_037623,c1cccn(c12)nc(n2)C(=C)C(NC3=O)CC(=C3Cc(cc4C(F)(F)F)ccc4)Cc5cncnc5 -MOL_01_037624,c1cccc(c1C)C([*]2C([*]([*])([*])[*])O)Nc(c23)cccc3C(C)(O)O -MOL_01_037625,C=C(F)c1cc(ncc1)C(=N2)C(N)ON(C3=N)C2c(c34)cccc4 -MOL_01_037626,c1cccc(Cl)c1C(N)Nc(n2)ccc(cc3)c2c(c34)n(nc4CN)-c(cn5)ccc5C -MOL_01_037627,c1nccc(Cl)c1NC(=O)C(NC2)C=C3N2c(c34)cccc4OC -MOL_01_037628,CC(=O)Nc(cc1)cn(c12)ncc2-c(ccn3)nc3Cc4ccc(nc4)C5=CCC(C)CC5 -MOL_01_037629,CNCC(C1=O)=[*](O)C=C(C1=2)C=C(C2)c(c3)ccc(c3c45)CCC(=O)Cc4ccc(Cl)c5 -MOL_01_037630,c1ccc(Br)cc1CN(C=CN2)C(C=23)=NN(C=C3)c(ncn4)cc4C5CC=CCC5 -MOL_01_037631,C1CC=CC=C1CCC(=O)c2ccc(cc2)C(C=C3C)=C(O4)C34OC(N)CCc5c(F)nc(F)nc5 -MOL_01_037632,Cc1c(=O)n(C)cc(c1)-c(nc(c23)cnc(Cl)c2)n3N(C)c4cccnc4 -MOL_01_037633,F[*]1[*]CC(=C1)c(c2)cnc(c23)ncnc3Nc(c(C)nc4)cc4C(O)CNC(CC)CO -MOL_01_037634,OC(F)(F)CCC(N)Nc1cccc(c1c23)c2n4c(c3)cc(cc4)-c(n5)nc(C)cc5CCC -MOL_01_037635,c1ncc(OC)cc1CC(=N)Cc(cnc(C)c2N)c2CN(CC3)CC4=C3Cc(c45)cnc(F)c5 -MOL_01_037636,NCOC12c3c(CC1=C)cccc3ON=C2 -MOL_01_037637,c1nccc(N)c1CC2CN(c(c23)ncnc3)C(=O)NC4=CC=CCCC4COC -MOL_01_037638,OC1=C(O)N(C)c2nccc3c2C13O -MOL_01_037639,c1cccc2n(c3c12)c(cc3)C(=O)CC4CCC(NC4)Cc5ccc(F)cn5 -MOL_01_037640,Clc1cnnc(C)c1Cc2nc(c3n(c24)cnc4)c(ccn3)C5=CCNCC5 -MOL_01_037641,[*]C(F)(F)c(nc1)ccc1C(=O)Cc(c2)cn(c23)nc(cc3)-c(cc4C)n(n4)-c5ccc(F)cc5 -MOL_01_037642,c1cccc(c12)N(C)C([*]2)C(=O)Nc(nc3)ccc3N(C)CCN(C)C(=O)Cc4c(Cl)cccn4 -MOL_01_037643,C1C=CC=CC1C(N)/C2=C\C\C=N\C=C/C=C/N(c(c23)cccc3)c4ccncn4 -MOL_01_037644,O=CCCCNc(c1)cnc(c12)cccc2CCCN(C)C -MOL_01_037645,c1cccn1-c(c2)ccc(c23)NC(=N)C3(c4cnccn4)c5ccccc5 -MOL_01_037646,C12=C3C=C4C1=CC(NN4)c5cc(ccc5)Oc6c(/C=C\2C=C3)ncc(Cl)c6 -MOL_01_037647,c1nccccn(n12)CN(CC2)CNCSc(c(C)c3O)nc(c34)nn(C)c4C -MOL_01_037648,NCCCCCc1cc(c2cc(c13)nccc3)c(C)ccn4n2cccc4 -MOL_01_037649,NCc1ccc(cc1)C(N2)=CCC(C=23)=CN=C3n(n4)ccc4-c5cccnc5 -MOL_01_037650,CC(F)(C)c1ccc(cc1)-c(c(N)cnc2)c2C(=N)Nc(cc3)nc(c34)C=C(C4)NCc5ccccc5 -MOL_01_037651,C#Cc1c(C)c(cnc1F)C(OC2)CN(C23)CCN(C3)C(=O)Cc4c(O)nc(nc4)-n5cccc5 -MOL_01_037652,c1cc2ccc1Cc(c3)ccc(c(C)oc4=O)c3c4n(c5)ccc5C26CCCNC6 -MOL_01_037653,NC(=O)CCCN(CC1)C(c(c2C)ncc(c2)O)=C3C1Cc(c34)cccc4 -MOL_01_037654,C1CCC(N)[*]C1c(c2O)nc(c23)c4c(ncc3)cc(C(C)N)cc4 -MOL_01_037655,OCCc1c(N)nc(c12)n(ncc2)C(C)CN(OC)C(N)Cc3c(Cl)cc(Cl)cc3 -MOL_01_037656,c1ccccc1-c2c(n(C[*])c(c2)CN)-c3c(-c(cc4)ccc4C(=O)F)c(N)ncccccc3 -MOL_01_037657,Cc1cc(N)cc2c1c(N)nc3c(c4c23)cccc4 -MOL_01_037658,c1ccccc1[*]c2c(cc(n3)CC(=O)OCC)NC(O)C\C=C(N=C4c23)\CCC4 -MOL_01_037659,c1ccccc1C(N)C(C2)OC=C2Cc3ccnc(c34)cnc(c4)-c(cc5)ccc5CN -MOL_01_037660,c1ncccc1-c(c2)n(OCC)c(C)c2C(=O)CCCNC3CCN(CC3)c4cccc(N)c4N -MOL_01_037661,c1cc(O)ccc1-c(cccc2)c2CC(O)c3c(N)ncc(c3)-c(ccc4)n(c45)ccn5 -MOL_01_037662,OCCC(NC)c1ccc(cn1)-c(c2)c(n(c23)cc(cn3)N)Cc4c(C)nccc4 -MOL_01_037663,CCCNC12c3c(NC1=O)cccc3CC=C2 -MOL_01_037664,CCC(CC1)C(O2)c(cc3)c1c(N)c3n(c24)nc(C)c4 -MOL_01_037665,C=C(C)c(c1)c(C)n(c12)c(ccn2)C3CCN(CNC3)c4cnc(cn4)OC(C)C -MOL_01_037666,c1cccc(c12)nn(N)c2C(=C3)C3(N)Nc4ccnc(c45)c(F)ccc5 -MOL_01_037667,C1=C2N=C(N([*])C)C=C3N(C)\C=C\C(=O)N/C=N\Cc(c4C3=C12)cccc4 -MOL_01_037668,C1COCC=C1CCC(C[*])C(O)c2c(C)cc(n2C)CN(C=O)c(c3C)cc(F)cc3 -MOL_01_037669,N#Cc1ccc(cc1)Cc2cn(C(=C)NC)c(c23)cccc3 -MOL_01_037670,CC(O)c(cc1)cc(c1=2)=C3C(C=CNC3)C2c4ccccn4 -MOL_01_037671,c1c(Cl)ccc(c12)N(C)C(=O)N(CC2O)Cc3ccc(cc3)C4=CCN=C(C4=5)N=CC5 -MOL_01_037672,c1ccccc1-c(c2C(O)OCC)nc(nc2N)CCCCCNc3ccnc(c34)cc(F)cc4 -MOL_01_037673,c1cccc(c1C(=C)N)C2=NN=c3ccc(c4c23)=CC(=N4)CC(=N)OCC -MOL_01_037674,C1CNCC2N1c(c23)nc(cn3)CCNc4cn(cn4)-c(nc5)ccc5C -MOL_01_037675,c1nc(N)c(F)cc1CC(=C)n(c2)c(C)c(c23)n4c(cc3=O)nccc4 -MOL_01_037676,Cc(c1)nc(c12)cn(cc2F)NC(O)c3c(O)cc(cn3)N4CCCCC4 -MOL_01_037677,CCCOCCCNC/C(=N/C#N)C(CC1)CCC1=C(c(c23)nccc2)c4c(CN3)nc(F)cn4 -MOL_01_037678,CC(F)(Cl)c1ccc(cc1)-c(c2)cnc(C3)c2c(c=34)ccc5c4=NC=C5CN -MOL_01_037679,NCCc(c1)ccc(c12)/N=C\c3c(cc(C)cn3)/C(N)=C\2c4ccncn4 -MOL_01_037680,C1C(Cl)NC[*]C1Nc2nnc(c23)cc(oc3)Nc(cccc4F)c4NCC5C(COC)CCC5 -MOL_01_037681,c1ncccc1CC(CC=C2)C=c(c=23)nc(cc3CN)-c4cncc(c45)cccc5 -MOL_01_037682,CN(C)CC(=O)NC(=N1)C=CN(CC2)N1N(c(c23)cccc3)C(O)C4CCN(N)CC4 -MOL_01_037683,COC1=[*][*]=C(C=C1)S(=O)(=C)N(c(c2C=N)cc(F)cc2)Cc3cccnc3 -MOL_01_037684,c1ccnc2CC(c(cc3)ccc3C(O)O)Cc(c4c12)cc(nn4)CNc5ccc(Cl)cc5 -MOL_01_037685,CCc1ccc(nc1)N(C=O)N(NC(=C)C)C(=O)C(c2ccccn2)Cc3cc(F)ccc3 -MOL_01_037686,c1ccc(C)cc1CCc(c2)cn(c23)C(=O)C(NC3C)c4ccc(F)nc4 -MOL_01_037687,CNCCNC(=O)Cc(nc(F)c1)c(c12)nn3c2cc(nc3)NCc4cnccn4 -MOL_01_037688,NCNC(=O)Cc1c(O)c(nc(c12)cccc2)-c3c(cccc3)NCc4cccnc4 -MOL_01_037689,C1CCCOC=C1c(c(c2)-c3ccc(cc3)OC)nc(N)c2C(O)CC(=N)N -MOL_01_037690,c1cc(Cl)ccc1-c2c(n(cn2)C3CCNCN3)-c4cc(ncc4)Oc5ccccc5 -MOL_01_037691,COCCCc1ccc(nc1)CC(=O)Nc(cc2)ccc2Cc3c(cc(F)cn3)-c4cc(N)cc(c4)N -MOL_01_037692,OC(F)Cc1c(Br)cc(cc1)-c(n2)n(C)c(NCCCF)c2-c3cc(N)cnc3 -MOL_01_037693,c1ccc(OC)cc1CC(=O)C2NC(=C)N(C(=C3)C23CC=C)c4ccc(Cl)cc4 -MOL_01_037694,c1cccc(S(=O)(=N)C(C)N)c1Nc(n2)c(F)ccc2Cc(c(c3)OC)cc(C)c3CCNC -MOL_01_037695,n1cccnc1CNc(ccc2)cc2-c(c3)cc4n3c(N)cc5Cc(c6c45)nccc6 -MOL_01_037696,CCN1C(O)CC(C1=O)Cc2ccn(c23)c(NC4CC4)cc(c3)Cc5c(Cl)ccc(n5)N -MOL_01_037697,c1ncccc1-n2c(=O)c(-c3ccc(cc3)OC)nc(c24)cnc(c4)-c5cccnc5 -MOL_01_037698,n1cc(F)cc(F)c1-c2c(-c(cc3)ccc3C=C)nc(cc2)NCCCONNC -MOL_01_037699,C1CCCC1C(N)CCc2c(-c3ccc(cc3)ON)n(cn2)Cn(c(C)c4)c(c45)cccn5 -MOL_01_037700,c1cccc(c12)oc(n2)CC(CC(C34)=CCOC4O)=CC=3c5cc(F)cnc5 -MOL_01_037701,Oc1cccc(c1CCN)C(=C2)C(c3ccccc3)=c4ccc(c5c24)=CN=C5 -MOL_01_037702,n1cnccc1-c(c(cnc2)NC(=O)N)c2C(C)NCCCN/C=N/c(cc3C(F)(F)F)ccc3 -MOL_01_037703,C1=CC(C)=[*][*]=C1Cc2ccn(c23)c4c(C(=O)CS3)cccc4O -MOL_01_037704,C1OC=CCN1OCC(N)C(N2c3ccccc3)N=Nc4n2cc(c45)cccc5 -MOL_01_037705,C1CNCCC1c(ccnc2)c2CC(O)c3cnc(c34)c5cc(CC)c(c4)nc5 -MOL_01_037706,C=S(=O)(C)C(C=C1)CC=C1C([*](C[*])C2)=CN(C=23)CC=CC\3=N/CCc4ccc(Cl)nc4 -MOL_01_037707,c1cc(F)ccc1-c(nc2)ccc2C(=O)NCC3=CC=NN(N34)N=C(N=C4)CC5=COC(C)CC5 -MOL_01_037708,c1cccc2c1ccc(c23)c(O)c(CC4CCCN4)c5c3ncc(c5)N6CCCCC6 -MOL_01_037709,c1ccccc1C2[*]CCN2OC(=O)c(c(F)c(c34)O4)cc3-c5ccccn5 -MOL_01_037710,C1NC=CCCN1CC(N)c(cc2)nc(c23)nc(cc3Cl)-c4cccnn4 -MOL_01_037711,n1cnccc1C2=C(N)C(C)c(c23)ccc(c3)-c(nc4)ccc4C -MOL_01_037712,OCC(C)Cc(nc1)ccc1Cc(nn2)cc(c3N4CCCC4)n2c(c35)cccc5 -MOL_01_037713,CC1=CN(CC)C=C(NC1)c(c2)cn(c23)C(=C)N=C(C3)c4ccc(cc4)OCC -MOL_01_037714,CCCc1ccc(nc1)N(C(C)NC=N2)C(O)/C2=N/c(c3C)cnc(n3)N(CC)CNC -MOL_01_037715,C1CN(C(=O)N)Nc(c12)nc(NC[*])c(n2)C3CCC(CC3)Oc4c(Cl)cc(NC)nc4 -MOL_01_037716,C1CN1CNc(cc(O)nc2Cl)c2CC(OC(C)C3CNC[*]N3)c4cccc(n4)CCC5=CC5 -MOL_01_037717,CCc1ccc(nc1)N2CC(NC)C(CC2=O)c3c(F)ccc(n3)F -MOL_01_037718,c1ccnc(c12)C(C(=C)CC2)CC(C3)=NC(=N)C(C=34)=NC(=C4)CCC -MOL_01_037719,c1cc(F)ccc1C(c2n(C(C)(C)C)cnn2)C3CCC(CC3)c4nncc(c45)nc(F)cn5 -MOL_01_037720,O=C(F)C(C1O)=CN(N2CC2)C(C=13)=NN(C(=C3)N)CCCC(CF)NC -MOL_01_037721,FC(F)Oc(cc1)ccc1NN2C(CC(C)C2=O)c3c(F)ccnc3OC -MOL_01_037722,c1cccc(c12)C=C3C2=C(N)C(OCCC)Cc4c3ccc(c4)Cc5cncnc5 -MOL_01_037723,c1cccc(F)c1-c(cc2N)cc(c2C)C3CNNC(N3)c(cn4)ncc4C5CCC(CC5)N(C)C -MOL_01_037724,N1CN(C)C2=Cc(c1c23)c(C)c(c3)CNNCN4CCN(NC4)c(cc5)cc(c56)nccc6 -MOL_01_037725,CN(C)CCC(C)c1ccc(cc1)Cc(n2)ccc(c2c34)CC(O)Nc3cc(N)cc4 -MOL_01_037726,n1ccccc1NCCCc2c(C)c(C)c(N)c(c2O)-c(cnn3)nc3CC -MOL_01_037727,c1nc(F)ccc1C(N2)C(CN(S3)C(=O)N([*]3=S)C)C=C2C4=CC=C=C=C4 -MOL_01_037728,CCCCNCNC(=O)c1c(Cl)nc(-c2c(Cl)cc(Cl)cn2)c(n1)-c3ccc(cn3)O -MOL_01_037729,FC(F)(F)/C(=C\1)/C=C\C=N\C=C(\N)NN(C12O)C=c3c(=C2)cc(CC)c(C)c3 -MOL_01_037730,Nc1c(CO)cc(Cl)c2c1c(csc3)c3CC(=C24)C4 -MOL_01_037731,CCC1=CC=C(CO1)c(cn(c23)c(CN)cc2)nc3Cc(cc4)cc(c45)C=C5ON -MOL_01_037732,C1=C(Cl)C=NN(C1=C23)NCN(O)C\C=C\2C=CC(C3)c4cnc(cn4)N -MOL_01_037733,CNC(=O)N(CNC1)CC1c2cc(n(c23)c(N)ncc3)-c4cc(Cl)ccc4 -MOL_01_037734,CNCNc(c1)c(C)oc(c2)c1c(c3)c2cc(c3C45)NC(=O)N5C4 -MOL_01_037735,n1cccnc1CC(CC)C(=O)N(C)c2n(-c(cn3)ccc3C(F)(F)F)cc(c24)cccc4 -MOL_01_037736,n1cc(Cl)ccc1CC(=O)CN(C)C(=O)CC(C2=N)C(C)c(c23)nccc3C(C)C -MOL_01_037737,c1ccccc1C(C)NC(C=C2)=CC23C(=C3)c4ccc(nn4)-c(c5)c(c56)cc6CN -MOL_01_037738,[*]c1c(O)cnc(c1)C(C)(N)Cc2c(ncc(C)c2)Cc(c3C(C)C)cccc3Cl -MOL_01_037739,CC(N)(N)CCc1cc(c(cc1)OC)-c(cn2)n(c23)ccc(n3)Nc4c(Cl)cc(F)cc4 -MOL_01_037740,n1c(Cl)ccc(c1C(C)N)-c2cn(cn2)NNc(c3)nn(c34)cccc4 -MOL_01_037741,c1nc(Cl)ccc1C(C(C)CO)N(c2ccnnc2)C(=N)Cc3ccc(cn3)OCC -MOL_01_037742,CCCC(=O)Cc1c(C2CCCCC2)ccc(n1)-c3cnc(ON)c(c34)ccnc4 -MOL_01_037743,n1nc(N)ccc1C(C)NCCCc2cc(cnc2)OCC3=CCN(CC3)c4ncn(c45)cccc5 -MOL_01_037744,n1ccccc1\N=C\C(C)C(C)/C(=C/N=C(/[H])C(/[H])=C\2)c(c23)nc(cc3)-c(cc4)ccc4CN -MOL_01_037745,CC(N)NCCC(=O)c(c1)cnc(c12)cc(cc2)-c3ccc(O)nc3 -MOL_01_037746,CS(=O)(=O)CC1[*]CC(CC1)c2cc(C(C)C)n(c23)CC\C=C\C=C(N=C\3)\CCC -MOL_01_037747,c1cc(F)ccc1OCC(C)n(ncc2)c(c23)c(nc3)-c4ccc(cc4)NC(F)F -MOL_01_037748,n1cccc(c12)n(cc2C(C)(C)C)C(=O)c3cc(cnc3)CC(N)Nc(nc4)ccc4Cl -MOL_01_037749,CCC(=O)c1c(cccc1)NC(=O)c(c2)ccc(c23)nc4n3NCCNC4=N -MOL_01_037750,C1CC[*]CC1NCc(n(c23)cc(C(C)=N)c(F)c3)c(c2)C(=O)CCC(N)CC -MOL_01_037751,[*][*]c(c1N)n(C)c(c12)nnc(c2)-c3c(N)cc(cc3)-c(cc4)ccc4C(F)(F)F -MOL_01_037752,c1ccnc(Cl)c1C(C)CON(c(cc2)nc(c23)NCC3)C4C=CN(CC4)c5ccccn5 -MOL_01_037753,c1cc(Cl)nc(Cl)c1NN(C(=[*])[*]2=[*])CCC2c(c3C)c(N)cc(Cl)c3 -MOL_01_037754,FC(F)(F)c1nc(=N)oc(c12)c(ONC)c(c(c2)CCC)OOCO -MOL_01_037755,c1cccc(c12)ccnc2CCC(N)C(=C3)OC=C(C3=c45)CC=c5ccnc4CC -MOL_01_037756,CC(=N)NCc(cnc1O)c(C)c1/C=C/c2c(Cl)c(C)nc(c2)-c3cc(F)ncn3 -MOL_01_037757,n1cnccc1-n(c2C)nc(C)c2C(=O)Cc3ccc(nc3)C4CCNOC4 -MOL_01_037758,c1cccc(F)c1CN(C=C2CC)C=CN2CN(C3=O)CCc(c34)nc(cc4)OC -MOL_01_037759,CC(=O)N(C1)C=CC(C=12)=NN(c3ccc(Cl)nc3)C(=C2)C4CCN(C(=O)C)CC4 -MOL_01_037760,Cc1cc(ccc1)NC(O)c2c(C3CCCCN3)n(nc2)-c4ccc(Br)cc4 -MOL_01_037761,N1C(=O)C(C)C(=N)C12c3c(NNC2)cccc3 -MOL_01_037762,C1=NCN(C(=O)C)C=C1c2nc(cc(c23)cncc3)-c(ccc4)cc4CC5=CNCNC5 -MOL_01_037763,C=Cc1cncc2n(F)c(c3c12)nc4c(n3)n(cn4)CC5CCOCN5 -MOL_01_037764,c1ccccc1CC(=O)C(c2cc(F)cnc2)c(c3)sc(CN)c3-c4ccccc4 -MOL_01_037765,c1cc(Cl)ccc1CC(N)CN(C(=O)N2)C23c4c(cncc4)/C=C/C=C\C=C\3 -MOL_01_037766,FC(F)(F)CCC(=O)Nc(ccc1)cc1-c2cnn(c23)cc(cc3)-c(nc4)nc(N)c4CC5CCC5 -MOL_01_037767,n1cc(Cl)cc(c12)cccc2CC(c3ccc(F)cc3)c4ccc(cn4)OC5=CNCNC5 -MOL_01_037768,[*]1[*]C2C[*]C(C3[*]2[*]13)NCN(C)CNC(=O)NCC(=C)Cc4c(cccc4)-c5cc(F)ccc5 -MOL_01_037769,n1cnc(Cl)cc1NC(N)CCC(=O)CCc(c2)c(n(c23)nccc3)-c4ccccc4 -MOL_01_037770,o1ncnc1C(=C)C2=CCN(N=C2)C(=O)n(cc3)c(N)c3-c4cc(Cl)ccc4 -MOL_01_037771,c1cccc(Cl)c1CNC(N)CC2=C(c3ccccn3)C(=O)c(c24)cccc4 -MOL_01_037772,n1ccn2/C=C\C(\CC=N)=C(/c(c3c12)cccc3)Nc(nc4)ccc4F -MOL_01_037773,C1[*]C[*]CC1c(c2C(C)(N)N)c(cc(c23)ccc(Cl)c3)C(C)Cc4nccc(C)c4C=N -MOL_01_037774,n1nc(Cl)ncc1C(CC2(C)C)C(NC2)CN(CC)CCNc3cnn(c34)cc(Cl)cc4 -MOL_01_037775,c1ncccc1NC(=O)c2c(N)nnc(c2)-c(c3C(F)(F)C)cc(cc3)C4C=CNC(C)C4 -MOL_01_037776,c1cc(F)ccc1-c(n2)cn(C(=O)N)c(c23)cccc(ccc3)C(N)C4CC=CNC4 -MOL_01_037777,c1cccc(Cl)c1Nc2c(nn(c23)cncn3)C(N)C(CC4)CN=C4CCc5ccccc5 -MOL_01_037778,c1cccccccc(CC2N)c1C23C=C4C(C=C3)=Cc5c(CC4)nc(cn5)N -MOL_01_037779,NCOc1ccc(nc1)C2(N)CNC(=N\[H])\C=C/c(c23)cccc3 -MOL_01_037780,Cn(c1)ncc1Nc(nc2)cc(c2[*]C)C(CN=C3C)=C3c4ccc(cc4)OC(F)F -MOL_01_037781,OC1CCN(C1)c(cc2)c(-c(cc3C#N)cnc3)cc2C(=N)Cc(cn4)cc(F)c4CC(F)(F)F -MOL_01_037782,CC(=O)Nc(nc1)ccc1-c2ccc(cc2)C3CCN(CO3)N(CC4)c(c45)cc(Cl)cc5 -MOL_01_037783,C1=CCC(=C1C)C2(F)C(C(=O)N)=CN(C)C(=C2)N(C)C(CC3)C=C3Cc4ccccn4 -MOL_01_037784,COCCCC(=N)n(ccc1C)c(c12)cc(c2)-c(nc3)ccc3C(C)(O)CC(C)(C)C -MOL_01_037785,FC(F)(F)c1cccc(n1)Cc2c(cccn2)-c(cn3)cc(F)c3-c4cnc(C)nn4 -MOL_01_037786,c1ccc(F)cc1CCCC(CN)NOCn(c(N)c(c23)ccc2C)cc3C(O)OCC -MOL_01_037787,O\C=C\CCCCNc1c(CCCN2)c2nc(c13)ncc(c3)OC -MOL_01_037788,c1ncccc1C(C)c2ccc(cc2)-c3cnc(nc3)/C(=C/N=N/4)C(=O)C/N=C\C5=C4c(c56)cccc6 -MOL_01_037789,COC(=O)N(C)CC(C1=C=C1C)c2c(O)c(NC(C)C)nc(n2)O -MOL_01_037790,O1COCC1OC(CC2)CCC2c3c(C#N)cnc(c34)ccc(c4)-c5cc(F)c(O)cc5 -MOL_01_037791,FCc1ccc(cn1)C2[*]C(NC2)c(nccc3)c3CC(=O)c4ccc(CN)nc4 -MOL_01_037792,c1ccccc1Cc(nc(c23)cncc2)n3-c4ccncn4 -MOL_01_037793,c1cccc(c12)n3c(n2)CN(C=C3)C(=O)c4ccnc(n4)-c5cccc(n5)N -MOL_01_037794,C1CC=Cc(c12)ncc(c2)CC3=CC(N)N=C4C3=Cc(c45)cccc5 -MOL_01_037795,CC(=O)N1C=CNN(CC1)C2(C(=O)CC(=O)CC2=O)c3ccc(cc3)Oc4ccccc4 -MOL_01_037796,O=Cc(c1)ncc(c1c23)c2ccc(c3)NC(O)Nc(c4C5(O)CC5)nncc4 -MOL_01_037797,c1ccccc1[N+]([O-])(N)n(c(c23)cccc3C)cc2-c4ccccc4 -MOL_01_037798,c12c3c(C)ccc(n3)CCN(C(=N)CCc(cc1)cc2)Nc(cc4)nc(c45)NCC5 -MOL_01_037799,c1ccccc1-c(c2)n(CCNC=O)c(c23)ncnc3OC -MOL_01_037800,n1cccnc1NC/C=c2/c(=C)n(c(=N)c(c23)cccc3)-c(c4)ncc(C)c4C -MOL_01_037801,c1cccc(F)c1C(N)/C2=C\C=C(/C=C\N=C/C2)\c(cc3)nc(c34)CCC(O4)C -MOL_01_037802,c1cccc(c1C(N)N)-c(cc2)cc(c23)n(CC4CCOCN4)c(c3)-c5ccc(F)cc5 -MOL_01_037803,c1ncc(Cl)cc1C2=NN([*]O2)C3N(C=CO3)C(=N)c4cc(Cl)ccc4 -MOL_01_037804,C1C=C(C)C(C(C1=2)C2)C(=O)OCc(nc3)cc(c4C)n3c(c45)cc(cc5)NC -MOL_01_037805,c1cccc(c12)nn(C)c2NC(=O)NC(CN3)CC=C3c(cnc4)cc4C(F)(F)N -MOL_01_037806,c1cncc(c12)c(ccc2C(=O)N)N(CC3C)C=CC3c(nc4)ccc4C -MOL_01_037807,Cc(n1)cccc1C(=C)OCCc(c(c(c2)cc3)n4c5cc3c25)c6c4ccc(n6)OCCN -MOL_01_037808,OC1Cc(c12)c(ccc2)/C(N)=C/NC(=C)c3c(C)cc(c34)oncc4 -MOL_01_037809,FC(F)(F)c1cc(ccc1)N2C=CN(CN2)NC(O)n3c(C)nc(c34)cncc4 -MOL_01_037810,C1CCC[*]1NC(=O)C2CN(c3cncnc3)C=C2C(O)Nc(nc4)ccc4Cc5ccc(F)cc5 -MOL_01_037811,O1CCNCC1Cc(c2N)c(-c3c(C)ncnc3)cc(c24)cnc(c4)-c5ccc(O)cc5 -MOL_01_037812,CC(C)NCc1c(S(=O)N)cc(cc1)-c(cc2NCC)cc(c23)nnc(C)c3O -MOL_01_037813,n1ncccc1CN(C2N)N(CC(=O)CCC)C(C)=C2c3ccc(F)cc3 -MOL_01_037814,ONCN(CC)CC1CCN(CC1)c2c(C(=O)C3CC3)ncc(c24)ccc(c4)-c5cc(F)c(N)cc5 -MOL_01_037815,CCC1C(C)COCCCNC(=O)c(c12)ccc(O)c2-c3cc(Cl)c(O)cc3 -MOL_01_037816,CC1CCN(C1)N(C=C2)N(c(c3C#N)cc(F)cc3)C=C2C(=O)Nc(cc4)ccc4CC(F)(F)F -MOL_01_037817,C=C(C)c1cnc(c12)ccc3c(c2)nc(cc3)C(=O)NCC(N)c4ccccc4 -MOL_01_037818,[*][*]C(O)C(CC)Cc(c1)nn(c(c12)ccc2NC)CCc3ccncc3 -MOL_01_037819,CNC(=O)c(cc1)nc(/c1=2)=C/CNCCC/C2Nc(c3O)cccc3Cl -MOL_01_037820,N1=NN(N)[*]C=C1Cn(c2)ccc(c23)cnc3-c(ccc4)cc4C(=N)CC5C=C5 -MOL_01_037821,CNC(=O)N(C1)CCC1Cc(c2)ccc3OC(Nc(cc4c23)ccc4)c5cc(N)cnc5 -MOL_01_037822,N#CC1[*]C(CCC1)C(=O)NN(C2)CC=C2n(cc3)c(=O)c(c3C)Nc4ccccc4 -MOL_01_037823,CCc(nc1)ccc1Cc2c(cncn2)C3=NC=C3C(C4C)NCCC4 -MOL_01_037824,NCCC1C=CC(C=1C23Br)=C2N=CC=C3OC -MOL_01_037825,C1C(O)/C=C(NCN2)\C/C2=N\c(c(C)nc3)cc3CC(=O)Cc(c4)ccc5nc(C)cc1c45 -MOL_01_037826,Fc1cccc(F)c1C(O)Nc2ccc(nc2)-n(c3)c(N(N)N)cc3C4NO4 -MOL_01_037827,c1nc(O)ccc1N(CC2)[*]C2C(=N)CN(C=C3)C=c(c4)c3cc(c45)=N5 -MOL_01_037828,C\1=C/C=C\C=C/C(=N\[H])/C(OOC)=C(\C12)N=CC=2CCc3cc(N)cc4cnc(c5c34)cccc5 -MOL_01_037829,c1cccc(Cl)c1CC(=O)CCc2c(cc(F)nn2)-c(cc3O)cc(c34)NCC4 -MOL_01_037830,CC(N)c1cnc(cn1)N2C(=O)CC(C2=C)CN(ON)Cc(ccc3)cc3CC -MOL_01_037831,CCc1ccc(nc1)NC(C=C2)=CC(=C3C4=CC4)N2C=C(C35C)/C=C\N=C/N=C\5 -MOL_01_037832,CC(F)(F)c1cc(ccc1)S(=C)(O)N([*])CCC([*])C(C)c2nc(Cl)cc(c23)cccc3 -MOL_01_037833,n1ccccc1N(NC2)C=CC2C(N)c3ccc(cc3)-n4nc(N)cc4-c5ccccc5 -MOL_01_037834,CCC(=O)N1C=CC=CN1Cc(c(N)c2CC)cc(c2)Cc(nc3)nc(c34)C(C)CC(C)CC4 -MOL_01_037835,c1nc(CN)ccc1Cc2ncnc(c2c34)ccn4nc(c3)C5=CNCC5 -MOL_01_037836,c1cnccc1C(CC(F)CC2N)[*]2c3c(C)ccc(c3)C(CC4)CCC4C(=O)NCC(=O)CCC -MOL_01_037837,[*]1CCCC2=Cc(c3=C12)c(N)cc(c3=C)CCNC(O)NCCc4ccc(O)cc4 -MOL_01_037838,c1ccccc1NC(=C2)C(OCCN)=c(c3)c2cc(c3c45)=Cc4cccc5 -MOL_01_037839,c1cccc(c1CC)C2CCN(CO2)C(=N)CCC3=CC(=N)N(CC)N(N34)C=CC=C4 -MOL_01_037840,c1cccc(c12)cc(CNC(=O)C)n(c2=O)NC(O3)C3(O)Cc4c(Cl)cc(Cl)cc4 -MOL_01_037841,N1=CC1C(N2C)CC([*]23)CCC(N3)NC(=O)c4ccc(cc4)-c5ccc(Br)cc5 -MOL_01_037842,c1cccn1-c(c(N)ccn2)c2C(=O)N(C)CCC3CC(C3)c(n4)cc(N)cc4C 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-MOL_01_037857,c1cc(Cl)ccc1\C(\C2)=C(/c3c(OC)cccc3)\N=N\C(=O)NC(/C=24)CNCC4 -MOL_01_037858,CCCCNCc(cn1)ncc1Cc(c2)ccc(c23)cn(C)c(=N)c3C4CCCN4 -MOL_01_037859,FC(F)(F)CCC(N)Cc1cc(cnc1)-c(cc2)n(c23)ccc(c3)-c(cn4)ccc4COCOC -MOL_01_037860,N1=CN1c(cc2)ccc2C(N)C/N=C(/N=C/N=C\C=C\3)\c(c4)c3nc(c45)ncnc5 -MOL_01_037861,CCCC(=O)NN(C(C=12)=N2)C(C)CC1c(c3CC=C)ccnc3 -MOL_01_037862,c1ncccc1C(C2=CO2)CNC(=N)c(c3)ccc(c34)C(=N)C(C4=C)CCC -MOL_01_037863,CC(C)C(C)C1[*]C(F)C(NC1)N(CC2)CCC2C(=O)Cc(c3)cc(c34)onc(Cl)c4 -MOL_01_037864,c1cncc(c12)ccc(CN)c2-n(c3=N)cnc(c34)cc5c(c4)cccc5 -MOL_01_037865,c1c(N)ncc(c1[*])CC(N)CCCCN(C2=N)C(Br)(C)c(c23)cccc3 -MOL_01_037866,c1cc(N)ccc1C(C)c2ncc(n2C)-c(nc3)ccc3-c4ccc(F)nc4 -MOL_01_037867,c1cc(F)cc(c12)N(C)N(C2C)OCCCCCNc3ccnc(c34)cc(N)cc4 -MOL_01_037868,COc(nc1)ccc1C(=O)Cc2c(nccc2)-c3cnc(s3)-c(cc4)ccc4CF -MOL_01_037869,Nc1ncc(Cl)c(F)c1CCc(c2C(=O)C)cc(nc2)CC3=CCN(C=C3)C4CC=CNC4 -MOL_01_037870,c1cccc(F)c1C2=[*]C([*]C=C2)C(O)c(co3)nc(c34)nnc4 -MOL_01_037871,C1=C=CCC(\C(=O)NN)=C/C=C(\C)n(cc2)c3c1nccc2cnc(c34)cncc4 -MOL_01_037872,C1CC[*]C1N2N(N)CC(C2=O)CC3=C(CC=N3)c4ccc(cc4)C5CC=CC5 -MOL_01_037873,c1ccccc1C(NC(N)O)n(cc2)c(c23)ccc(c3)CCOc(cc4)nc(c45)CCCN5 -MOL_01_037874,CCCCCc(cc1)ccc1C(=C)C(O)CNCNc2ncnc(c23)nc(N)cc3 -MOL_01_037875,CCCC(O)CCn(c1)ccc1\C(=c(\c\2=3)nccc2Cl)\C=C\OCCCCN/C3 -MOL_01_037876,ClC1[*]CNC(C1Cl)C(CC2)CC=C2CCCOc3c(F)nc(nn3)NC4CN=CN4 -MOL_01_037877,C1NC(C#N)C[*]C1c(cn2O)cc2C(=O)Cc3ccc(nc3)N4CCCCC4 -MOL_01_037878,C1CCC(C12)C(=O)c3c4c2cc5c(c4)c(n3)ccn5 -MOL_01_037879,FC(F)(F)c1cc(ccc1)CC(=O)Nc(nc2)ccc2C(CCN3)=CN(C=34)C(C)=NC=C4 -MOL_01_037880,CCc1c(CN)ccc(c1)-c(nn2)ccccc(c23)nccc(c3)-c4ccccn4 -MOL_01_037881,CC1=CCC(=C[*]1)C(=O)OCC(C(=O)O)CNC(=O)n(c(n2)C(=O)C)c(c23)cccc3 -MOL_01_037882,CCCNCC(=O)NCc1nc(-c2cc(F)cc(F)c2)cn1-c(c3)cnc(c34)cccc4 -MOL_01_037883,c1ncccc1N(CC2)[*]CC2C(O)CCc3c(OC)c(on3)NCCc4ccc(F)cn4 -MOL_01_037884,C\N=C\NC(=O)Nc1c(cccc1)-n(c2)c(NC(C)(O)O)c(c23)nccc3 -MOL_01_037885,COC(=O)c1cc(ccc1)Nc(nc2C)cc(n2)N(C3)CC3Nc4ccc(F)cc4 -MOL_01_037886,[*]=1N(C)C=CC(C12)=CN(S2)c(cc3)ccc3C(C(=O)C4=C)C4c5ccc(Br)cc5 -MOL_01_037887,n1ncccc1NCc2c(C)c(-c3cc(F)cc(F)c3)nc(c24)cncc4 -MOL_01_037888,NC(=O)Nc(nc1)ccc1-c2ccnc(c23)OC(C)(C3)C=N -MOL_01_037889,C/C=C(\C)c(n1)ccc(c12)NC(=O)C2OCC(C)Cc3ccc(Cl)cn3 -MOL_01_037890,n1ccccc1N(C\C=C\CC2O)c(c(CN)cc3)cc3CNCc(c24)cccc4 -MOL_01_037891,CCC(CN)C(F)(N)c1c(CC)cnc(c1)CC(=O)NCCNC(=O)c2ccc(Cl)nc2 -MOL_01_037892,CC(=O)NCc1cc(cc(Cl)c1)-c2cn(N)c(c23)cnc(n3)CCO -MOL_01_037893,C1COCCN1CC(=O)c2c(N)c(N)c(n2C)C(=O)c3ccc(Cl)cc3 -MOL_01_037894,N1NC(N)CCC1Cc2cn(c(c23)cnc(F)c3)Cc4ccccn4 -MOL_01_037895,c12c(O2)ncc(c1)C(=O)N3CCN(OC3)c(c4C(F)(F)F)nccc4 -MOL_01_037896,N1CN1c(c2)c(C)n(c23)[*]C(CC3)NC(=O)c4ccc(cc4)-c(cc5)ccc5C(F)(F)F -MOL_01_037897,c1ccccc1CNC(NC#N)C2CCN(CC2)C(c(c34)ccc(Cl)c3)c5c(C=C4)ccnn5 -MOL_01_037898,c1cc(CN)cc(c12)ccc(c2)C(C)C3=CC=C(C3=4)N=C(C4)c5ccc(N)cc5 -MOL_01_037899,n1cccc(OC)c1C(C)NCC([*])C\C=C(c2ccccn2)\C(=O)c3c(Cl)cccc3 -MOL_01_037900,CCOC(=N)C1=CC=NC(C)N(C(=O)OC)C1c2ccccc2 -MOL_01_037901,O=c1n(C)cnc(c12)C3=C2CNCC3 -MOL_01_037902,CC(=O)/C=C/c1cc(ccn1)N2C(O)C(CC2=O)c(cc3)ccc3CN(C)C -MOL_01_037903,O1CCC=CC1CCCCN(O)c(cc2)cc(c23)nc(O)c(c3O)Cc4ccc(cn4)OC -MOL_01_037904,c1cncc(c1c23)n(C)n(O)n(c2cccc3)CC(=C)C(C)CC(=O)Cc4cc(F)nc(Cl)c4 -MOL_01_037905,Cc(c1)ncc(c12)cn(c2)-c(cc3)nc(c3N)NS(=O)(=O)c(cc4)ccc4OC -MOL_01_037906,n1cc(N)ccc1C(=C([*]2)O)ON=C2c(cccc3)c3C(=O)CCC -MOL_01_037907,C=C(O)c1cc(ccc1)C(=N)Nc(c2)c(C3C(O)CCC3)n(c24)ccnc4 -MOL_01_037908,c1cncc(Cl)c1CCC(=N)CC(C2=O)=NN=C(C2=3)C=C(C3)c4ccno4 -MOL_01_037909,c1cccn(c12)ncc2OCCC3C=CN(CC3)c4cccc(c45)CC(N)CN5 -MOL_01_037910,C1CC[*]C1C(N)CCc2c(-c3ccccn3)nn(c2)-c4cccnc4 -MOL_01_037911,COCNCc(c1)ccn(c12)c(cc2)-c(cc3)nc(c34)c(ccc4)OC(C5OC)COC5 -MOL_01_037912,CCC(ON)Cc1cc(ccc1)Cc(cc(c23)ncnc3)cc2NCCN4CCNC4 -MOL_01_037913,CCCCc(cc1)n(c12)c3c(cc(cn3)CN)cc2Cc4c(O)ccnc4O -MOL_01_037914,c1nccn1-c(cc2CC)cc(c23)c(O)nc(c3)C4C=C4c5cc(F)ncc5 -MOL_01_037915,FC(F)(F)Oc(cn1)ccc1CN2C(NC(F)C2=O)c(c3CCC)ncnc3 -MOL_01_037916,N1CNCCC1Cc2cccc(n2)-c(cc(c34)cncc4)cc3N(CC5N)CCN5 -MOL_01_037917,CC1CC(N)CN(C1)c(cccc2)c2NC(=O)c(c3)ccc(F)c3-c4c(Cl)cc(Cl)nc4 -MOL_01_037918,CC(O)CC(F)c1c(cccc1)NC(=C)CC2=CCC(=CC2)c3c(OCC)cncc3 -MOL_01_037919,[*]C(N)c1ccc(cc1)Cn2ccc(ccc3=O)c2cccc4n3c(c45)cccc5 -MOL_01_037920,CCc(c1)c(CN)nc(c12)NCC(N2)CNn(c3)ccc3CNc4ccc(F)nc4 -MOL_01_037921,N1CC=CCC1c(c2C(F)(F)F)ncc(c2)NC(C)c3cc(CC=O)c(C)nc3 -MOL_01_037922,NC(=O)Cc1cc(n(n1)N)C(=C2)N=C(C2=C)CNc3ccc(F)nc3 -MOL_01_037923,C=C(C)Cc1ccc(cc1)NC(=O)CCc2ncc3n2c(cc(c34)O4)CCN -MOL_01_037924,CC(N)c1ccc(cn1)-c(c2)ccc(c2c34)C(O)(O)Nc4cccc3CO -MOL_01_037925,C1CCNC=C1OCCc2nc(-c3c(OC)cccc3)cc(c24)cccc4 -MOL_01_037926,COCNC(N)C(=C)c1c(ccnc1)CC(N)c2c(ncc(c2)C3CC3)Cc4ccccc4 -MOL_01_037927,n1ccccc1N(C(=N)CC)C(CCC)c2c(CC(O)CN)cncc2 -MOL_01_037928,c1cc(N)cc(N)c1CCc2c(OC)ccc(c2)C(C(C3=O)N)Cc(c34)cncc4 -MOL_01_037929,c1ccc(Cl)cc1C(N)N([*])CNN(C)c(cc2C(F)(F)F)cc(n2)-c3cnon3 -MOL_01_037930,c1cnc(CC)c(c12)N3N(C2)C=C(N=C3)OC -MOL_01_037931,NCc1cccc(n1)-c2cc(-c(cc3C)cc(Cl)c3)cc(c24)nccc4N -MOL_01_037932,CCc(n1)cccc1CC(C(=O)C)Cc2ccc(nc2)-c(c3CN)c(OC)ccc3 -MOL_01_037933,C1CC/C=C/N=C\CCC1CC(N)c2ccn(c23)C=CN(O3)c4ccccc4 -MOL_01_037934,CCOC(=C)n(c1=O)ccc(c12)C(CC=C)CCC2N -MOL_01_037935,C1CCCCC1NCCNC(c2cccnc2)CCc3c(F)c(C)cc(n3)-c4cncnc4 -MOL_01_037936,C1CN=CC(F)=C1CC(=O)c2ccc(CC)s(c2)-c(ccc3)cc3C(N)CCCO -MOL_01_037937,CCNCNc(cc(Cl)c1)c(c12)=NCC=2COCNc3ccnc(c34)nc(F)cc4 -MOL_01_037938,c1ncc(N)cc1C2(CCCC2)C(F)CC(N=O)Cc3ccc(cn3)-c4c(OC)cccc4 -MOL_01_037939,c1cccn(c12)cc(-c(cc3)ccc3C#N)c2CC(C(=O)ON)CC(=N)c4ccccc4 -MOL_01_037940,c1cccn(c12)c(nc2)N(C=C3C(=N)O)C=C4C=CN(C5=C34)C=CC=C5 -MOL_01_037941,c1ccc(N)cc1CC(=O)C(C2[*]C(O)O)CCCc(c23)nc(C(F)(F)F)cc3 -MOL_01_037942,CN(O)c(c1)cnc(c12)nccc(O)n(n2O)-c3ccc(F)cc3 -MOL_01_037943,COc1ccc(cc1)S(=O)(=N)Cc2cc(ncc2)-c(cn3)ccc3C4CCNC4 -MOL_01_037944,n1ccccc1CCC(=O)Nc(cc2)nc(c23)nc(n3C)NCC4CCOCN4 -MOL_01_037945,OC1=CC(C([*])([*])N)=[*][*]=C1/C=C(/[*]2=[*])CC(Cl)CC2C(C)C3CC3 -MOL_01_037946,C1=CCc(c12)nc(nc2)-c(cc3)n(c34)c5c(cn4)cncc5 -MOL_01_037947,n1ccnc(c12)/C=C/C=C(NC(=O)N(CC3)CCC3C)\C(=O)\C=C2\Cc4ccc(Cl)nc4 -MOL_01_037948,CNc(cc1)ccc1Cc(cc(c2C)C(=C)NC)c(c23)CNc4c(C3=C)nccn4 -MOL_01_037949,c1ccccc1NC(O)Cc2c(-c3ccnnc3)cc(cc2)-c4cnc(c(n4)Cl)ON -MOL_01_037950,C1CN(C=N)CCC1c(c2)c(NCCC)nc(c23)nc(cc3)C(O)N(C)C -MOL_01_037951,N1=CN=CN(C1=2)C(C=C([*])CC2)CC(C)CCCN3CCN(CN3)c(nc4)ccc4Cl -MOL_01_037952,c1cccc(Cl)c1-c(n2CC(=O)CO)nc(C)c2Cc3ccccc3 -MOL_01_037953,NC(=O)c1cc(ccc1)-c2c(C)nnc(c2)COC3CCC(=N)N(C=34)CCC=C4 -MOL_01_037954,NC1=NC(=O)C(C)=C(C12)C=C(C=2CCCCC)CC3COC(NN3)Cc4cccnc4 -MOL_01_037955,C1CCOc(c12)cc(nc2)CC(=O)Cc3n(COOCN)cc(c34)ccnc4 -MOL_01_037956,c1cccc(c12)nc(cc2)C(=O)Nc(ccc3)cc3-c(cc4)cn(c45)c(nc5)-c6ncccn6 -MOL_01_037957,C1=CN(C)[*]C=C1OC(=O)CCN2C=CC(=NC2=C)OC3CCc(c34)ccnc4 -MOL_01_037958,CN(C1)[*]=[*]N1C(=O)Nc2ccc(cc2)-n3ccnc4c3cc(c45)cccc5 -MOL_01_037959,Cc(c1)cnc(c1C)C2CC/N=C\N(C3)OC=C(N23)C -MOL_01_037960,n1cccc(c1C(C)=N)CCCC(C)CNN(CC2)CC(=C23)/C=4C\3=C\CC/C=C/C(Cl)=C\N4 -MOL_01_037961,c1cc(Cl)nc(c12)n(c(n2)C)CC(=O)N3CCN(CC3)C(=O)N(C)CCc4ccccc4 -MOL_01_037962,Cc(c1)c(C(F)(F)F)cc(c12)CC(N)NC(=C2)c(ccc3)cc3-c(ncn4)cc4C(N)N -MOL_01_037963,CC(C)Nc1c(nccc1)C2=CCC(C=C2)Cc3cn(cn3)CN4CNCC4N -MOL_01_037964,c1cncc(O)c1C(=O)CNC(=O)Cc(n2)ccc(C)c2C(C)(O)C3CCCCC3 -MOL_01_037965,CC(C)(C)Nc(c(Cl)cc1)cc1Cc2c(ccnn2)-c(cc3C)nc(c3)N -MOL_01_037966,c1nc(Cl)ncc1Cn(c(c23)cccc3)c(c2)N([*])NNN(C)CCc4cnc(cn4)OC -MOL_01_037967,c1c(F)ccc(C2[*]O2)c1C(C)(C)n3cccc3C(O)CNN -MOL_01_037968,c1cc(F)cc(Cl)c1NCC(=O)Cc2c(N)ncc(c2)-c3ccccc3 -MOL_01_037969,CC(=O)N1CCN(CC1)CCCNn(c2cc(c3c24)cccc3)nnc4-c5cc(Cl)ccc5 -MOL_01_037970,c1cc(Cl)cc(N)c1CNC(=O)C2CCN(CO2)S(=N)c(c3C)c(O)cc(C)c3 -MOL_01_037971,c1ccccc1NCc(c2)nc(c23)ccn(c3O)-c4ccc(F)cc4 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-MOL_01_038001,c1cncc(F)c1-c(nc(=O)n2[*])nc2C(CCO)CCc3ccc(nc3)NC(=O)C -MOL_01_038002,C1CC(C=O)CCC1C(=O)C(O)c2cn(CC)c(c23)nccc3 -MOL_01_038003,N1CCCC1C/C=C(/C(=C2)Cc3ccco3)Sc(c4)c2cc(c45)cnnc5C -MOL_01_038004,C1CC(CN)C[*]C1c(cc2)cc3c2ncc(c34)cn(C)c4Nc5ccccc5 -MOL_01_038005,CCc1ccc(cn1)C(C2)NC=Nc(c23)ccc(c3)N(CC4)C=CN4Cc5cccnc5 -MOL_01_038006,c1cccc(Br)c1C(NC(=O)N)CC(=O)c2cc(c(CC)cc2)-c3ccccn3 -MOL_01_038007,c1ccnc(c12)COC(=C2)C(N)Cc(c3)ccc4n3cc(c45)ccnc5 -MOL_01_038008,c1ccc(CN)cc1C/C(=N\C2=O)C(=O)/C=C\Cc(c23)cncc3NC -MOL_01_038009,C1COCCC1C(=O)c(c(c23)n(N)nc2)ccc3Cc4nc(Cl)ccn4 -MOL_01_038010,C1CC[*]CC1n(cccccc2)c(c23)cncc3-c4c(OS(=O)=N)cccc4 -MOL_01_038011,CC(C)N(F)Nc(n1)nccc1C(CN2)CCC2Cc3cc(ccc3)Oc(nc4)ccc4ON -MOL_01_038012,CNC(C)CC(C1)CCC=C1NCc(cn2)cc(c23)cnnc3Cc4cc(N)c(O)cc4 -MOL_01_038013,n1ccn(c12)c(ccc2)Cc3ncnc(c34)ccc(c4)-c(cc5C)ncc5 -MOL_01_038014,CNC(=O)c1ccc(nc1)-c(n2)cccc2Cc3ccncn3 -MOL_01_038015,c1cccc(c12)C(NC([*]2)F)NC(N)NCCc3c(C)cc(cn3)N(CCC)CCN -MOL_01_038016,C1=CC\2=C/C(/CCO)=C(N(C)N=C3)\C=C3O\N=C/C=N/Cc(c1c24)ccc4 -MOL_01_038017,c1ccccc1C(C(C2)C(=N)CO)N=C2c3c(F)ccc(n3)C -MOL_01_038018,n1ccncc1C(C2)CC2C(C)c(n3)nc(N)n(c34)cnc4C5COOCN5 -MOL_01_038019,c1cccc(Cl)c1C(C)(N)N2CNc(c23)nccc3 -MOL_01_038020,c1cccc(c12)ncc(c2)C(=O)NOCC3C=C3N4C=CN(CN4)c5cccc(c56)cccc6 -MOL_01_038021,CCC(=O)NCCn(cc1)cc(c2C)c1c(C(=O)C)c3nc(c4c23)cncc4 -MOL_01_038022,[*]c1c(CC)c(ccc1)OC2[*]C(N)CCC2C(NC)CCc3c(F)ccnc3 -MOL_01_038023,c1cccn(c12)ncc2NCCC(=O)CNC(=O)n(cc3)cc(c34)cc(c4)-c5ccncc5 -MOL_01_038024,ClNCNc(c1C(=C)N)cc(cc1)Cc2ccc(nc2)C3=CN(C(=O)CC)CC=C3 -MOL_01_038025,NCc1c(NC)cc(cc1)CC(O)Cc2cc(ccc2)-c(c3)ccc(c34)ncn4C -MOL_01_038026,C1CC\2=C/OC(O3)=C(OC)C=CN3\S=N/C=C\Cc(c4)cnc1c24 -MOL_01_038027,NOC(=C1)C=CC([*]12)=CC(=[*]2)NC(=O)CC3CCC(NC3)Cc4ccc(Cl)nc4 -MOL_01_038028,c1nccc(c1C)-c2c(cccc2)OC(C)CCNc(n3)sc(c34)ccnc4 -MOL_01_038029,FC(F)(F)c1cccc(c1cc(c23)C2)c3-c(n4)nncc4-c5ccccn5 -MOL_01_038030,c1cccc(F)c1C(C2=O)CC(=N)N2CC3CCN(NC3)Nc4cccnc4 -MOL_01_038031,OCCC(C)CC(=C1C)C=C(C1=2)C(=O)C(=[*]C2N)C(=O)CCc3cnc(Cl)nc3 -MOL_01_038032,c1cc(C)ccc1C/C(=C/[*]C2)C(O)c(cc3)cc(c23)NC(=O)Cc(nc4)ccc4CC -MOL_01_038033,NC(N)CC(=C)N(CCCN1)C1C2=CC(=COC(O)=C2C)N(C)NOc3ccc(Cl)nc3 -MOL_01_038034,CN(C)NC(=O)NCc1ccnc(c12)nc3c(c2)c(ccn3)NCCN -MOL_01_038035,n1cccn(c2CC)c1c(c23)cc(cc3)NC(=N)CC(C)NC4=C=C4c5ccccc5 -MOL_01_038036,N1CC(C)CNC1CNCN(CNC2)C(O)c(c23)ccnc3Nc(nc4)nc(Cl)c4Cl -MOL_01_038037,[*]CN1CC1(C)C(N)n(cn2)c(c23)cc(Cl)c(Cl)c3 -MOL_01_038038,O=CNC(C)C(=N)Nc1c(ccc2c13)Cc(c3N)nc2 -MOL_01_038039,C1C=C(C123)C(CCN)=CC=C2\N=C/N=C\C=4\C\3=C/c5c(\C=C/C4)cccc5 -MOL_01_038040,c1ncccc1Cc(nc2)cc(c2C)-c(cc(c34)ccc(C)c4)cc3C5=CCNC=N5 -MOL_01_038041,c1cccc(c12)NCCC2CC(N)NOCCCC3CCN(CC3)c4c(N)nccc4 -MOL_01_038042,c1cc(F)ccc1CN(C(N)c(c23)cccc3)N(C2=O)C4=CCC(C)CN4 -MOL_01_038043,n1cc(Cl)ncc1CC(=N)c2c(ccc(Cl)c2)C3=C(O3)c(cn4)ccc4CCC -MOL_01_038044,CC(C)CC(C1)=NC(C=12)=C(C)C=C(C2=O)C(O)NCc3ccc(Cl)cc3 -MOL_01_038045,COc(cc1)ccc1C/C(C)=N/c(c(c23)OC2N)ccc3-n(c4)ccc4CN -MOL_01_038046,n1cnccc1-n(c2)ncc2CC=3CC(CN)=CC(C34)C(N)CC\N=C\C=C/C(F)=C\4 -MOL_01_038047,NC1C=NC(\C=12)=C\N=N\C(\c3ccccc3)=N/C(=C/C2=O)/c4ccc(Cl)cc4 -MOL_01_038048,n1ccncc1NC(=N)C2CCNc(c23)cc(cc3)-c4ccc(cc4)-c5ccc(cc5)NC(C)N -MOL_01_038049,Cc1cc(ccn1)NC(=O)N(NC2)CCN2C(O)(O)c(c3)ccc(c34)CC(=N)CCC4 -MOL_01_038050,c1ccc(N)cc1-c(nccc2)c2C(=O)n(cc3)cc(c3c45)cc4cccc5 -MOL_01_038051,CC(=O)CCC(C1)NC(C)=C1c2cc(Cl)c(cc2)C3CCC(CC3)c(nnn4)nc4C(F)(F)F -MOL_01_038052,CCCCC(O)c1c(OC)ccc(n1)S(=O)(=C)NCCCNCC -MOL_01_038053,c1ccc(Cl)c(C)c1C(=O)C2CCN(C(N2)O)Cc3c(Cl)nc(F)cc3 -MOL_01_038054,c1ccc(F)cc1C2=C(NCC2)c(c3)ncn(c34)ncc4 -MOL_01_038055,C1CCCCCC1CC(=O)c(c2)ccc(c23)n(cn3)-c(c4CC)nccn4 -MOL_01_038056,c1cc(Cl)c(Cl)cc1CC(=O)N(C)C(C2=C)=CN(C(=O)N2)CCC(C)c3cc(Cl)ncc3 -MOL_01_038057,N#CCC(=O)Nc(n1)cccc1C(CCN2)[*]C2Cc3ccc(cc3)C4CCCCC4 -MOL_01_038058,c1cccc(c12)nccc2C([*](=[*])=C)N(N)C(=O)CCc(c3)ccc(c34)CCC4 -MOL_01_038059,CCC(CC)CC/C(=C/1)/N=N/C=C\C=C\2N(C3=C12)C=CC(C3)CC(N)c4ccccn4 -MOL_01_038060,OCCC([*])Oc(ncc1)cc1-c2cc(C3CCCNN3)cc(c2)-n4cccc4 -MOL_01_038061,NC(=O)c1cc(cnc1)NC2=CN2c(ncnc3)c3CC4CCC(CC4)Cc5cnc(Cl)nc5 -MOL_01_038062,N1=NOCCC1CCc(c2)nc(C)c3NNc(c4c23)cc(cc4)OCCF -MOL_01_038063,c1cc(S(=O)(F)N)ccc1CCNOc(cn2)ccc2C3C(C)=CC(Cl)=CC3(C)C -MOL_01_038064,c1ccccc1-n(n2)ncc2Cc3c(N)cc(-c4cccnc4)c(c3)-c5cccnc5 -MOL_01_038065,CC(O)C(CC1)=CN(C=12)C(C([*]C3Cl)CNC3Cl)N(C)CCC(=O)\C=C\2 -MOL_01_038066,n1ccccc1NC(CC23)N(CN2CCCC)C=CN3OCc4ccccn4 -MOL_01_038067,n1cc(Cl)ncc1CC(CC2)CCC2(CC#N)c3cn(C(=O)C)c(n3)Nc4cc(Cl)cnc4 -MOL_01_038068,CNCC(CC)CCNn(cc1)c(-c2ccnnc2)c1-c3ccccc3 -MOL_01_038069,C=CCc1cc(ccc1)Cc(c2NN)ccc(c23)oc(n3)NC(O)C4CC4 -MOL_01_038070,c1ncccc1-c(c(CCN)ccc2Cl)c2Cc3nc(ccn3)-c4cccnc4 -MOL_01_038071,CNCNCCN1C(C)CC(CC1=O)c2ccccc2 -MOL_01_038072,CNCCCC(=N)N(C=C1)[*]N=C1N2C(C=NC2=O)CCCc(s3)ccc3C(=O)C -MOL_01_038073,c1cccc(c12)/C=3C(=C2C(N)CCN)C(C)/C=C/C=C\C=C/C3/C -MOL_01_038074,CC(N)NCCCCCCCNc(ccn1)cc1-c(cc2C)cc(c23)cccn3 -MOL_01_038075,[*]C(F)(F)c1cc(cnc1)S(=O)(=O)N2CC2CCCCN(NC)C(=O)c3ccc(C(=O)N)cc3 -MOL_01_038076,N1CCCCC\C=C2\C(C123)=C4C5=C(C3)/C(COC=C5)=N/CCOCCO/C=C\CC4 -MOL_01_038077,c1nc(F)c(O)c(c1CN)-n(n2)ccc2-c3ccccc3 -MOL_01_038078,c1nccc(c12)NC(N)C2(CN)OCCNC(CC3)CCC3c4ccncc4 -MOL_01_038079,CC(N)c1ccc(cc1)CNC2=CN2c(c3-c(cc4C)ccc4)c(N)c(cc3)NCc5cccnc5 -MOL_01_038080,C1=CC1(C)C(=O)Cc2cc(nnn2)N(C=C3CCC)N=CN3NC=O -MOL_01_038081,C1CC(CO)CC=C1CC(N)C(C2(C)C)=CCN(N2)C(=C3)N=CN(N34)C=CC=C4C -MOL_01_038082,n1ccccc1C(n2cccn2)NCC(N)c3ccc(nc3)NCc4ccc(Cl)cc4 -MOL_01_038083,OCC1[*]NC(CC1)C(CNN(C)O)Cc(c(F)c2)cn(c23)c(=O)c(C)cc3 -MOL_01_038084,C1CN=CC(F)=C1CC(=O)c2cc(c(CC)cc2)-c(ccn3)cc3C(N)OCCOC -MOL_01_038085,c1cncc(c12)NC(=N)C(\c3cc(Cl)ncc3)=C/c4ccc(nc4)NC2 -MOL_01_038086,c1c(Cl)nc(Cl)cc1CC(N)Cc(c2)cnc(c23)nnnc3Nc4cc(F)ccc4 -MOL_01_038087,n1nccnc(CCC(C)(C)O)cc2c1c(c23)ccc4c3cnc4 -MOL_01_038088,c1ccnn(c12)c(C(C)O)c(c2)CC(O)c3ccc(F)nc3 -MOL_01_038089,CC(=N)c(c1)ccc(c12)cc(-c3ccc(F)cn3)c(c2)C4=NNNCC4C -MOL_01_038090,c1ccccc1C2=CN(c3ccccc3)C=C(C\2=4)C/C=N/CCC(\C4)N -MOL_01_038091,c1nccn1C(C)Nc(n(n2)C(C)N)cc2Cc(cc3)cc(c34)nncc4 -MOL_01_038092,CC1(C)C=CN(C(=O)C1)CC(c2ccc(Cl)nc2)NCc3ccc(Cl)cn3 -MOL_01_038093,C=C1C=CN(C)c(c12)cc(cc2)CC(N3)C3(O)C45C(C4)C5 -MOL_01_038094,c1cccc(N)c1NC(=O)C(C=N2)CC=C2c(cc(c34)cccn4)cc3NCCN -MOL_01_038095,N1=COCC(C2CC2)C1C(=O)CCCc(cc3)c(c34)n(CC)ccc4 -MOL_01_038096,c1cc(Cl)ccc1CCc(c2)nn(c2c34)ccc3n(nc4)-c(cc5)ccc5CN -MOL_01_038097,c1cc(F)ccc1C(C)N2N(O)C(C=C2O)Cc3ccc(F)cn3 -MOL_01_038098,O=C1NCc(c12)c(C)cnc3c(CCC3)ccc2-c4ccccc4 -MOL_01_038099,CN(C)NCCOC(=N)C(C)(c1ccccn1)N2CCCNC2 -MOL_01_038100,COC(O)/C=N/c(n1)ccn(c12)c(C)c(n2)C3(C)NO3 -MOL_01_038101,c1cc(O)ccc1-c2ccc(cc2)N3N=C3c(cc4)cc(c45)ncc(c5)NC6CCNC6 -MOL_01_038102,CCc(n1)c(ON)cc(c12)nc(cc2C)C3=CCC(CC)CC3 -MOL_01_038103,c1cccc(c12)cc(OCN)c(c2)C(N)Cc3ccc(O)c4Cc(c5c34)cccc5 -MOL_01_038104,CN1CC1C(=O)Nc(cccc2)c2Cc(cc3CCN)nc(c3)Cc(cc4)ccc4C(F)(F)F -MOL_01_038105,c1ncccc1-c(nc2)ccc2C(=O)CCC3CN3CC(CC)NCNc(c4Cl)cccc4Cl -MOL_01_038106,Clc1cccc(S(=O)(C)N)c1Cc(c2)ccc(c23)ncnc3Cc4ccccn4 -MOL_01_038107,c1ncncc1C(C)(NCOC)CC/C(N)=C/c2cc(cc(n2)F)N3C=CON=N3 -MOL_01_038108,O=C(O)C1CCC([*]C1=O)C(=O)CCCc2c(O)ccc(c23)cccn3 -MOL_01_038109,CC(C)Cc1cccc(n1)-c(nc2)ccc2Cc3cc(ncc3)NCC(O)c4cccnc4 -MOL_01_038110,[*]C(=O)Nc(c1C(=C)N)cn(c1)-c(nc2)ncc2CN3C(C)(C)NCCC3(C)C -MOL_01_038111,c1ccc(N)n(c12)cc(c2)C3[*]C(CC3)c(cc4)ccc4CC5CCC(CC5)NCN -MOL_01_038112,c1cc(N)cc(Cl)c1-c(c2C(C)N)ccc(c2)-c(n3)scc3-c4cc(N)c(Cl)cc4 -MOL_01_038113,CCc1ccc(cc1)Cc2nn(cc(c23)ccc3)Cc(nc4)ccc4CN -MOL_01_038114,c1nc(Cl)ccc1Cc(cncc2)c2C(=O)CCC3(N)Cc(cc34)ccc4C -MOL_01_038115,Cc1cnc(cn1)-c2c(F)cc(nc2)-c3c(cccn3)NC4CCCCC4 -MOL_01_038116,[*]C(N)c1cccn2n(c3c12)c4c5c(ccc5c3)c6cc(ccc6)n7ccc4cc7 -MOL_01_038117,c1cccc(c1C(=O)ON)-c2ccc(cc2)Nc3cnc(c34)n(N)ccc4 -MOL_01_038118,C1CC[*]CC1C(=N)CC(NC2)[*]C2C(C)(O)Nc3c(F)cc(O)cc3 -MOL_01_038119,c1cncc(c1C(F)(F)F)N(CC2)NN=C2C(C)Nc(c3)cnc(c34)cccn4 -MOL_01_038120,c1cccc(Cl)c1-c2c(nccn2)OC([*])CCN([*])c(c3)ccc(c34)cncc4 -MOL_01_038121,c1nc(N)c(N)cc1CNC(=O)N(C)CCC(C)CCN(C)CNC(C)c2ccc(c23)cnn(C)c3 -MOL_01_038122,NCc1ccc(cc1)-c2ccc(nc2)-c3ccc(cc3)-n(c4)nc(c45)cccc5 -MOL_01_038123,FC(F)(F)c1c(Cl)cnc(c1)C2(C)CCN(CC2)NCC(c3ccccn3)c4ccncn4 -MOL_01_038124,FC(F)(F)c1cc(ncn1)CC(=O)c2ccc(cc2)N(CC3)Cc(c34)cnc(C)c4 -MOL_01_038125,CC(C)c1ccc(cc1)CC(=O)N(Cc2ccccc2)C(=CC3)N(N)N(C=34)C=CC=C4 -MOL_01_038126,c1cc(Cl)ccc1CC(N)C(=O)N(OC2)CCC2c3nnnc(c34)cccc4 -MOL_01_038127,c1ccccc1CC(=O)Nc(cc2)ccc2CCOc(cn3)ccc3C(F)(F)F -MOL_01_038128,c1cc(F)cc(c12)CC(=C/N(C)/C=N/C2=O)\C(=N\[H])\Cc3c(O)cc(C(C)O)cc3 -MOL_01_038129,C[*]C(C)c1ccc(cc1)-c(c(C)ccc2)c2C(=O)Nc(cn3)ccc3CC(N)NNc4ccnnn4 -MOL_01_038130,c1ccccc1CC(N=C(C2=O)N)=C(C2=3)C=NC3C -MOL_01_038131,C#[*]c(c1)ccc(c12)c(N(OC3)CCC3(N)N)ccc2CCc(nc4)cc(Cl)c4CN -MOL_01_038132,Clc1ncnc(c1C#C)NCC(O)CN2NCCC2Cc3c(F)cncc3 -MOL_01_038133,C1=C(Cl)C=CN([*]12)C=CC(O)=C2NCC(\[*])=C\CC(C)CC(=C)CCc3ccc(Cl)nc3 -MOL_01_038134,Cc(c1)ccc(c12)n(cc2C=N)-c(n3)cnc(c3C)N=C -MOL_01_038135,FCCc(cc1)ccc1CC(N)COc2c(N)n(nc2)-c3ccnc(n3)NC -MOL_01_038136,c1c(N)ccc(c1C)C(C2)CCN(C23)C(=O)N4N(C3)NCC4 -MOL_01_038137,c1cccc(c12)nc(-c3ccncc3)nc2C(N)CNC(O)Nc4ccccc4 -MOL_01_038138,CCC(=O)c1c(cccc1)CNC(N)C(O)c2c(Br)cn(n2)-c3ccccc3 -MOL_01_038139,c1cc(N)cc(c12)OC(CC2)C(=S)NNCc3ccc(Cl)cn3 -MOL_01_038140,Clc1cc(Cl)cc(CC(=O)NC)c1C(=C)CCC(N)c(ncc2)cc2C(C)=N -MOL_01_038141,Cc(c1)c(Cl)cc(CN)c1CC(=O)N(CCC)C(C2=O)Cc(c23)ccnc3 -MOL_01_038142,N1CCCNC1Nc2nc(CCCCNC)cc(C)c2-c(c3)ccc(c34)cccc4 -MOL_01_038143,CC1=CC=C(OO1)NC([*]C2C(F)F)CC(C2)CN(CC3)N=C3Cc4ccccc4 -MOL_01_038144,C1=NCC=C1CCC(=O)c2ccc(nn2)NC(C)C(C3)Cc(c34)nccc4 -MOL_01_038145,CC(C)CNN(N)c(cc1O)cc(c12)ncc(c2)CC(O)CCc3c(Cl)cc(N)nc3 -MOL_01_038146,NCCONC(CCC1)[*]C1c2cc(nnn2)Nc(cc3)ccc3C4CCCCC4 -MOL_01_038147,NC(=O)NN1CN(NC1)c(cc2)ccc2-c(c3)nc(cc3C)Cc(cc4C(F)(F)F)ccc4 -MOL_01_038148,c1nc(C)ccc1CCC(=O)C2CC=CN(C2)c(ncn3)cc3NCc4ccccc4 -MOL_01_038149,NCc(c1)ccc(c1c23)C/N=C\Cc3ccc=4c\2=C/C=C/N=C\N=C4 -MOL_01_038150,COc(nc1)ccc1CCC(N)Cc2ccn(c23)c(ccc3)CCc4ccncn4 -MOL_01_038151,NCCC(N)CCCC1[*]CC(CC1)Cc(c2)ncc(c23)cc(cc3C)-c4c(F)c(C)ccc4F -MOL_01_038152,COc(c1)ccc(c12)ccc(Br)c2Nc3cncc(c34)nccc4 -MOL_01_038153,N1CCC[*]C1c(cc2)cc(c23)COC(=C3)C(O)Nc(c4C)ccc(Cl)c4 -MOL_01_038154,n1ccc(N)c(O)c1C(C)CCCCOOCNCC(C=C2)=CN(C2=3)C(=O)COC3 -MOL_01_038155,NCc1c(CC)cc(cc1OC)-c(cc2C)cc(n2)-c3ccccc3 -MOL_01_038156,c1ccc(cc12)NC(=N)C(C)CO/C=C/N=C\2NC(C=C3)Nc(c34)cncn4 -MOL_01_038157,N#Cc1cc(cnc1)-c(nc2)ccc2COCC(O)Nc(c3)ncc(F)c3F -MOL_01_038158,c1ncccc1CC(N)c2c(O)cnc(c2)C3=NC3c(cn4)ccc4CC -MOL_01_038159,c1cnccc1-c(c2)oc(CC=O)c(c23)ccc3-c4cc(Cl)ccc4 -MOL_01_038160,[*]/C(C)=C\OC([*])c(c1)sc(c12)cc(cc2)C(=O)N(CC3)CC=C3c4ccccc4 -MOL_01_038161,c1nncc(c1C#N)\N=C(CCCNC2=O)\C\C=C(CC3)\C23N(C)C -MOL_01_038162,NCCCCc(c1)ncc(C2)c1N(Br)C(C=23)=N3 -MOL_01_038163,c1cc(Cl)ccc1CNC(c2cncnn2)CCc(n(C)c3=N)cc(c34)cncc4 -MOL_01_038164,c1ccccc1C(=N)N(N(C2)N)C=CC2c(cn3)ccccncc3-c4ccccc4 -MOL_01_038165,CC(=N)COCCNc(cc1)ccc1C(O)Cc2cc(cn2C(=O)N)-c3ccccc3 -MOL_01_038166,n1ccccc1-c(cc(C(=O)N)c2CN)c(c23)cc(cc3)-c4ccccc4 -MOL_01_038167,CCOC(=O)c1cnn(c1)-c(nc2)ccc2-n(c3)ncc3-c4ccc(Cl)cc4 -MOL_01_038168,c1ncc(Cl)cc1Cc2ccc(cn2)OC(NC=N3)C=C3c4ccccn4 -MOL_01_038169,OCNCCc1c(Cl)c(ncn1)N2COCC2C -MOL_01_038170,CC(C)(O)CCc1cc(N(CO2)C=C2O)c(cc1)Nc(cc3)ccc3-c4cncnc4 -MOL_01_038171,c1c(F)cc(F)cc1CCc(cc2C=C)c(cn2)CNC(c3cncn3C)N4C=CN(C)C=C4 -MOL_01_038172,c1ccccc1NCC(O)c(c2)ccc(Cl)c2C(O)COc(c3)cnc(c34)C=NC4 -MOL_01_038173,c1ccnc(c12)OC(C(=C2)N)c3ccc(cc3)Nc4ccncc4 -MOL_01_038174,CC1[*]NN(CC1)C(O)c2ccc(cc2)-c(c3)ncc(N)c3-c(cc4)ccc4C(F)(F)O -MOL_01_038175,NC(F)(F)Cc1ccc(cc1)-c2cnccn2 -MOL_01_038176,CC(C)c1ccc(cc1)Cc2cnn(c2)-c3cc(ncc3)N(C)CCc4cc(N)c(F)nn4 -MOL_01_038177,c1ccc(OC)cc1CC(=N)C2=CCC(=CC2)S(=O)(=O)c3ccc(nc3)OC -MOL_01_038178,C1CC=C(C1=2)N(C(CN)=CC2)c(c3N)cc(cc3)NC4=NN4 -MOL_01_038179,c1ccnc(c12)cc(C)nc2CC(N)Nc(cc3)ccc3Cc4cc(C)cnc4 -MOL_01_038180,CCCCNCC1CC(OCC1)CCc(c2)cnc(c23)c(ncc3)Nc(cc4)nc(N)c4N -MOL_01_038181,Clc1cnc(nc1)N(CC2)CCC2C(O)NCCn(n3)c(N)nc3-c(cc4)ccc4CC -MOL_01_038182,n1ccccc1OCC(=N)c2cc(-c3c(N)nccc3)cc(c24)cccc4 -MOL_01_038183,c1cc(F)ccc1C(F)C(CO)CCCCc(c2)n(C)c(c23)ccc(c3)N(F)N -MOL_01_038184,CCc(c1)ccc(c2=N3)c1c(cc(CN)cc4)c4c2=NC(=C5)C35Cc6ccccn6 -MOL_01_038185,N1CCCC1Cc2c(N)ccc(c2)Nc3cccc(Cl)cccc(c34)ncc(c4)ON -MOL_01_038186,N1/C=N/C=N\C(\CCC)=C\c(c=1\c2=3)ccc2CC(N)C=CC3 -MOL_01_038187,c1cccc(c12)n(C(=C)C)cc2NC(=O)NNCC -MOL_01_038188,c1cc(Cl)ccc1NNC(O)NC2[*]CC(CC2)/C(N)=N/C(Cc3ccncn3)C4C[*]NCC4 -MOL_01_038189,FC(F)(F)c1c(NC)ccc(c12)c(ccc2)C(=O)C(NC(=O)N)C(=O)c3cccnc3 -MOL_01_038190,Cc1ccc(cn1)-c(c2C)c(N)cc(c23)cc(N)cc3-c4cccnc4 -MOL_01_038191,C1NOCCN1c(cc(c23)CC(C2)O)c(c3)NCNc4ncn(c45)cccc5 -MOL_01_038192,c1nc(N)ccc1CC(N)C2=CC=C(C\2=3)/C=C/C=C(/[H])C(/[H])=C(\C3)N(CC)Cc4ccccc4 -MOL_01_038193,NCCN(CC1)C=CC1c2ncnc(c23)ccc(C)c3 -MOL_01_038194,[*]NC(N)Cc(c1)coc(c12)c(-c3ccccc3)cc2CNc4ccccc4 -MOL_01_038195,c1cccc(Cl)c1C(C)CCC([*])C(=O)N2CCN(CC2)Cc(c3CC)nc(cc3)OC -MOL_01_038196,n1ccccc1CC2=NC=C(CC2)c(cc3)ccc3-c([nH]c4)cc4-c5ccccc5 -MOL_01_038197,C1CCCC1NC(=N)c2ccc(Cl)c(n2)CC(N)CCc(c3C(N)O)cc(Cl)cc3 -MOL_01_038198,NCON1NC(=O)N(CC1(O)O)c2c(Cl)ccnc2 -MOL_01_038199,CC(C)C(=O)c1c(nnnc1)NCNNC2CCN(CC2)c(c3CCC(F)(F)F)nccc3 -MOL_01_038200,N#Cc1ccc(nn1)-c(c2)ccc(c23)ccc(C(O)C4CN4)c3Nc(cc5)ccc5CN -MOL_01_038201,O=C1CC(O)C(O1)CCCc2ccc(cc2)OCc3c(N)oc(n3)-c4ccccc4 -MOL_01_038202,NCc1cc(ccc1)-n(n2)ccc2C(=O)N(C)c(ccc3)cc3-c4ccccc4 -MOL_01_038203,c1cccc(c12)N=C(c(s3)ccc3CN)C(C2N)Cc4ccccc4 -MOL_01_038204,CC(O)c(c1)c(CC)cc(c12)ncnc2CCc(cn3)cc(Cl)c3CN -MOL_01_038205,N1CC[*]CC1Nc(cccc2)c2CC(=N)Cc(c3)ccc(c34)c5c4ccnc5 -MOL_01_038206,O=CCc1cc(c(N)cc1)ON2CC=C(C2=C34)CC3=CC=C4 -MOL_01_038207,CC(O)NC(=O)/C/1=C/C(=C)C(Cc2ccc(Cl)cn2)C(=C/C=C\1)\c(cc3)ccc3CC -MOL_01_038208,CC(=O)c(cc1)ccc1C#Cc2ccc(cc2)-n(c3)ccc3-c4c(C)ccnc4N -MOL_01_038209,Cc(c1)c(c2)coc(cnc3CN)c(ccc4)c3ccc4ccc(nc5)ccc5c12 -MOL_01_038210,CCc1ccc(nc1)CNC(N)C(CCC2=N)C=C2c3cc(Cl)c(Cl)cc3 -MOL_01_038211,CC(N)(N)N(NN1)CNC1c(c2C#N)cc(-c3c(Cl)cccc3)c(c2)-c4ccc(Cl)cc4 -MOL_01_038212,C1CN(C(=O)N)[*]C1C(=O)C2=CN(C=CC2)OCC(=O)C(C)CNc3ccccc3 -MOL_01_038213,c1ccc(Cl)cc1NC(=N)C2CCC(NO2)Cc(c3)cnc(c34)ccnc4 -MOL_01_038214,C1CCN=CC1NC(=O)c2ccc(cn2)C3=CCC(C=C3)NC -MOL_01_038215,CCc(c1)sc(c1CC)NC(=O)c2c(CCN(C)CO)ccc(c2)C(F)(F)O -MOL_01_038216,OC(F)(Cl)c(c1)ccc(c12)cc(O)nc2-c3cc(O)ccc3 -MOL_01_038217,CCCC(=O)Nc(cc1)ccc1-c(c2)nc(cc2C(F)O)C(CC)CCOC -MOL_01_038218,c1ncccc1CC(=C)NCCN(CC)c(n2)scc2-c3ccccc3 -MOL_01_038219,c1cccc2ccc(c3c12)NC(S)N(C3)c(nc4)ccc4N -MOL_01_038220,c1cc(O)nc(F)c1-c2c(-c3ccc(N)nc3)ccc(N)ncnnc2 -MOL_01_038221,c1ccccc1NC2C=CC(\C=23)=C(/C([*])(C)N)\C=C/N4/C(=C\3)N=C\C=C/C=C/C=C\4 -MOL_01_038222,c1cc(Cl)ccc1C(=O)Cc(c2)ccc(N)c2-c(nc3)ccc3C(N)Nc4ccncc4 -MOL_01_038223,O=c1n([*])c(N)cc(c12)cc(cn2)C(=O)CCc3ccc(Cl)cc3 -MOL_01_038224,c1ncccc1C(C)(C)C(=O)Cc2c(N)cc(nc2)C(C)CON(C)C(=O)c3ccccc3 -MOL_01_038225,c1nnc(O)cc1CCc2cc(CO)cc(c2)-c3c(O)ccc(c3)NC(NC4)CCC4C -MOL_01_038226,CNC(=O)n(cc1)c(c12)ccc(c2)C(=C)CCCNC(=O)CNc3cccnc3 -MOL_01_038227,C1CCC[*]C1C(C)NC(c2ccccc2)COC(=O)CNCNc3ccnc(c34)cc(N)cc4 -MOL_01_038228,CC(O)CC(=O)Cc1ccc(nc1)-n(s2)n2-c(c3C)cco3 -MOL_01_038229,c1cccc(F)c1C(CCCN)COc(c2)ncc(OC)c2CN(CC3)CC=C3N -MOL_01_038230,COc(c1)ncc(c12)cn(c2)C(=O)Nc(c3CCO)cc(N)nccc(F)cc3 -MOL_01_038231,c1cncc(Cl)c1NC(F)N(Cc2ccccn2)c3cc(ccc3)N4c(c45)cncc5 -MOL_01_038232,c1cc(O)c(F)cc1C(c2ccn([*])c2)CC(=O)c(c3)ccc(c34)ccc(c4)NC(C)OO -MOL_01_038233,NC(O)c(c1)ccc(c12)cc(-c3ccccc3)c(c2)C(NC4)CC=C4c5cc(Cl)ncc5 -MOL_01_038234,n1ccccc1C2CCN(NC2)C(=N)Cc3ncc4c3c(c5c(c46)n6)cccc5 -MOL_01_038235,n1cccc(c1[*](C)O)NC(N)c2ccc(nc2)C(=O)Cc3ccc(F)cn3 -MOL_01_038236,CC(C)NCOC(=O)c1ccnc(c12)c(Cl)c3c(c2)c(ccc3)-c4ccc(N)cc4 -MOL_01_038237,NCC(=O)n(c1)ccc(c12)cc(-c3cc(Cl)ccc3)c2Nc4ccccc4 -MOL_01_038238,c1cccc(c1C([*])C)N([*])CCC(N)c(nc2)ccc2C(F)(O)O -MOL_01_038239,NCc1cccc2\N=C\C(\c3ccnnc3)=N\C=N\C=C\c(c4c12)cccc4 -MOL_01_038240,O=Cc1ccn(c1)-c(s2)ccc2C(N)CCc(n3)oc(c34)cccc4 -MOL_01_038241,Cc(n1)cccc1CNC(O)C2=CN(C=CN2)Cc3c(C)oc(n3)-c4ccccc4 -MOL_01_038242,C1N=CC1CN(C([*]C2O)CNC2Cl)Cc(c3CC(C)O)cccc3 -MOL_01_038243,c1nccc(C)c1CC(=O)Nc(ccn2)cc2C(C)(O)C3CCCCC3 -MOL_01_038244,C=C(N)N(C(=O)C)c(cn1)ccc1-c(cc2)cc(c23)nccccccc3 -MOL_01_038245,CCC(=O)c1cc(ncc1)Cc2cc(ncc2)C3=CCC(NC3)Nc4ncccn4 -MOL_01_038246,n1ccccc1CCC(=N)Cc(cccc2)cn(CN)c(c23)cccc3 -MOL_01_038247,n1cc(Cl)ccc1CCc(nc(c23)cccc3)cc2CNCc(nc4)cc(OC)c4CN -MOL_01_038248,c1c(N)ccc(C)c1CC(=O)c2c(nc(N)c(C)c2)NCCC(C)CC -MOL_01_038249,n1cc(F)cc(F)c1C(N)(O)C2C=COCC2 -MOL_01_038250,CC1=[*][*]N(C=C1)C(=N)CNc(cn2)ccc2Cc3cc(C4(C)CC4)c(Cl)cc3 -MOL_01_038251,c1ccccc1-c2c(C=N)c(N)cc(c23)nncc3 -MOL_01_038252,c1cccc(/c1=2)=C\c3n(ccc(=O)c3Cl)CNNNNO/C=C/C2O -MOL_01_038253,n1cncn(c12)nc(C)c2NC(=O)CCC(N)Cc3ccc(Cl)nc3 -MOL_01_038254,c1c(Cl)cc(F)cc1NC(NC(=O)N)C2CN2NCc3cc(ncc3)N(C)CCC -MOL_01_038255,CCCC(=C)C1=C(O)C(CCC1=O)c2cc(ncc2)Oc3ccccc3 -MOL_01_038256,c1ccccc1C(=O)N(C2=C)C(c3ccc(cc3)ON)=Nc(c24)cccc4 -MOL_01_038257,c1cccc(c12)CNC(=C2)NC(N)COc(ccc3)cc3-c4cnccn4 -MOL_01_038258,c1nc(F)ccc1Cc2ccc(cn2)C3=C(CCC3=N)c4ccccc4 -MOL_01_038259,n1cc(Cl)ncc1CNN(C)CCC(O)CNc2ccnc(c23)cnc(c3)CC -MOL_01_038260,COc(nc1)ccc1CC(=O)N(C2)CCC(C2C)c(c3)cnc(CC)c3C(F)(F)F -MOL_01_038261,C1C(O)NC(O)C([*]12)NCC(C2=[*])CC(=O)CC(C)Cc3ccccc3 -MOL_01_038262,COC(=O)c1cccc(c12)c3c(cncn3)c(c2)CCc(c4)ncc(c45)cnnc5 -MOL_01_038263,COCCC(C)c1cc(nc(n1)C(C)O)-c2cccnc2 -MOL_01_038264,n1c(Cl)ccc(OCC(=O)O)c1CC2CCN(CC2)C(F)(O)c3ccccc3 -MOL_01_038265,c1cc(Cl)ccc1CC(=N)c2c(cnnc2)Cn(cn3)c(c34)ccc(Cl)c4 -MOL_01_038266,Cc1c(N)nnc(c1)C(CC(F)(F)F)C(N)c2cc(F)c(N)cc2 -MOL_01_038267,c1cccc(c12)nc3c(cccc3)c2C/C/4=C(\CN)/C=C/C/C=N/C=C\C=C\4 -MOL_01_038268,CC(=O)NCC(=O)c1cc(C)cc(c12)ncc(c2)CN -MOL_01_038269,FC(F)(F)c1c(C)ccc(c1)CC(N)CC(C)c2cncc(n2)-c3cncnn3 -MOL_01_038270,CCCNC(=O)C(=C1)C(O)=CC=Cc(ccn2)c(cc2c13)cc3 -MOL_01_038271,COC(=O)c1cc(ccc1)Nc(ncc2)cc2C(C3)CC3CNc(c4C)cnc(n4)Cl -MOL_01_038272,c1c(N)ccn(c12)c(=O)c(-c3ccccc3)c(c2)-c4ccccc4 -MOL_01_038273,c1cccc(c12)cnc(c2)C(N)NON(CNC3)CC3N(CC4)CCC4Cc5cc(F)c(O)cc5 -MOL_01_038274,N1NCCC1CCc(c(c23)nccc3)nc(c2)Cc4ccccc4 -MOL_01_038275,CCC(=O)c1c(S)ccc(c1)-c(cnc2)cc2C(N)N -MOL_01_038276,C1NC=C1C(N)c2nc(-c(cc3)ccc3CN)ccccccn2 -MOL_01_038277,C1NN=CN1CC(O)c2ccccc(C)ccc(n2)-c3c(Cl)cncc3 -MOL_01_038278,c1nnc(Cl)cc1Cc(c2)ccc(c23)C(N)C(=O)NC3c4ccc(Cl)cc4 -MOL_01_038279,CCC(=O)NOc(cccc1)c1-c(cn2)ccc2C(N)Cc(cn3)ncc3C(F)C -MOL_01_038280,c1cccc(Cl)c1OCC(O)Cc2cc(cnc2)Nc3cnc(N)c(C)c3CCC -MOL_01_038281,c1ncccc1CC(=C)NCCCC(O)N2C=CN(CC2)c(cnc3)cc3CC4=NCCCN4 -MOL_01_038282,n1ccccc1CC(=O)C2(C)C=CCC2c(nc3)cn(c34)ccc4 -MOL_01_038283,COC(O)C(=O)Cc(n1)ccc(c1CC(C=O)N2C=N2)Nc3cc(Cl)ccc3 -MOL_01_038284,c1ccccc1CNCC(N)COc2c(-c3ccccc3)nn(c2)-c4ccccc4 -MOL_01_038285,C#Cc1ccc(nc1)-c2ccc(nn2)NCOCC3C(N)CCN=C3C -MOL_01_038286,CCCC(=O)C1=CN(C=CC1)C(CNN)NCc2cnc(cn2)-c3cc(Cl)ccn3 -MOL_01_038287,CCCC(CO)NC(=O)c1cc(CC=O)c(cc1)C2=CCC(CC2)NC -MOL_01_038288,CC(C)(C)NC(C(=O)N)NN(C(F)(F)F)c(cc1)ccc1-c(nc2)ccc2C3(O)OO3 -MOL_01_038289,C1=CC(CO)C=CC1C(Cl)c2cc(ccc2)CC3=CC=CON(C3=4)COCC4 -MOL_01_038290,CCCC(N)Cc(nc1)ccc1CNCN2NCN(CN2)c(cc3C)cc(c34)cc(ON)c(c4)CC -MOL_01_038291,n1ccccc1-n(cn2)cc2C(=O)CCNCCNc(c3Cl)cccc3Cl -MOL_01_038292,FC(F)(F)Cc1ccc(cc1)NNC(=O)Nc(cnc2)cc2-c3cc(sc3)NC(C)C -MOL_01_038293,C1CCC[*]C1c(cc2)ccc2CN(C=CN3C(=O)C)N=C3NNc4c(S)cccc4 -MOL_01_038294,n1cc(F)ccc1Cc(cc2)cn(c23)cc(c3)-c4ccncn4 -MOL_01_038295,c1ccc(Cl)cc1NC(O)c2cc(ccc2)N(NC3)CN=C3C4CCCO4 -MOL_01_038296,c1cc(CN)ccc1C(CNN(C)O)CN(C2)C(F)=Cc(c=23)ccc(C)c3=C -MOL_01_038297,COC(O)N(C)NCc(ccc(Cl)c1Cl)c1C(N)NCC2CCN(CC2)c3ccccc3 -MOL_01_038298,C1N=CC=CC=C1c(ccc2CN)c(N)nc(ccc2)-n(c3)ccc3C -MOL_01_038299,N1CN=CCC1NC(=O)c2cc(n(C)c2)NC(=O)Nc3ccc(Cl)cc3 -MOL_01_038300,CC(C)n(n1)ncc1-c(cn2)cc(Cl)c2CNc3ccccc3 -MOL_01_038301,c1cc(O)ccc1CC(C)C(C)CCNC(=CC=N2)N(C2=3)OC(=CN3)OC -MOL_01_038302,n1ccccc1CNc(nccn2)c2C(=N)Nc3ccc(cc3)N4C=NCCC4 -MOL_01_038303,C1=CC=CC(C123)=c4/c(ccc(c4)NC(=O)N)=C\C=C/C/2=C\C=N/C=C\C=C\3 -MOL_01_038304,CC(=O)NC(O)C1[*]CC(CC1)Nc(c2)ccc(c23)cc(cc3Cl)-c4ccncn4 -MOL_01_038305,C1CC(F)N[*]C1C2[*]CC(N2)NC(=O)OC(=O)c3ccc(Cl)cc3 -MOL_01_038306,c1ccccc1C(NC(=O)NN)CC(=O)c2ccc(o2)-c3ccccc3 -MOL_01_038307,n1ccc(O)cc1CN(C(=O)C2)/C=C\CC(C2=O)Nc3cc(O)ccc3 -MOL_01_038308,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)OC(c(c34)cc(N)cc3)C/C=C/N=N\C=C\4 -MOL_01_038309,CCC(CF)Cc(nc1)c(c12)ncccc2NN -MOL_01_038310,c1cccc(Cl)c1C(N)C([*])CN\C=C\[*]2C(NCCC2)NCc3cc(Cl)cnc3 -MOL_01_038311,N1=CC1c2ncc(cn2)-c(nc3O)nc(c34)cc(cc4)ON5CNONC5 -MOL_01_038312,Clc1cccc(c1C(C)(C)S(=O)C)-c2cccnc2 -MOL_01_038313,Cc1nccc(c12)cnc(n2)-c3cc(F)cnn3 -MOL_01_038314,c1cccc(c1C#N)C2(CN)CCC(CN2)CCCOC=O -MOL_01_038315,c1cc(Cl)nc(c12)nccc2CCCNCC3C(O)CCc(c34)cccc4 -MOL_01_038316,c1nc(F)ccc1CCC(=N)c2cnc(c(c23)cncc3)C4CCNCC4 -MOL_01_038317,FC(F)(F)c1c(N)cc(cc1)OC(N)c(c2C)n(cc2)CNc3ccncc3 -MOL_01_038318,CC(Cl)(Cl)Cc1cc(ncc1)Cc2cncc(c23)ccc(c3)NOC4CCCNC4 -MOL_01_038319,n1ncc(Cl)cc1CCC(O)c2cc(ncc2)C(N)C3=CCCOC3 -MOL_01_038320,C1NCCCC1C(=O)Nc(cc2)ccc2-c3cnc(cn3)N(C)CCO -MOL_01_038321,c1ccccc1C(CN2CN)N=C2c3cc(ccn3)OC -MOL_01_038322,c1cccc(c12)c(cn(c2=[*])C(=O)O)CCCCNC=C -MOL_01_038323,Cc(c1)c(CN)cc(c12)C=CN=C3C\2=C/C=C/C=N\NCCCN3 -MOL_01_038324,C=C(C)Cc1cc(ccc1)-c(ccn2)nc2Cc3cc(CN)cc(c3)OC -MOL_01_038325,C1=CN=C(C1=2)N=C(N2)C(O)NNc3c(F)ccnc3Cl -MOL_01_038326,c1cc(Cl)ccc1CC(N2)=CN(CO)C(C=23)=NN(C)C=N3 -MOL_01_038327,Cc(c1)ccc(F)c1CC(=O)N(Cc2cnccn2)Nc3ccccn3 -MOL_01_038328,n1ncncc1CCc(cc2N)cc(c23)cn4c3cc5c(c4)cccc5 -MOL_01_038329,c1cccc(c1C(=C)O)NC(=O)NCc2ccn(c2)-c3c(OC)cccc3 -MOL_01_038330,OCCNc(nc1)ccc1CC(=O)N(N(C)C)CC(N)c2cc(Cl)c(Cl)cc2 -MOL_01_038331,NCc1cc(co1)ON(C(=O)O)C(NC2)CC2Cc3c(F)cccc3 -MOL_01_038332,n1cccc(Cl)c1CC(C#N)C(C)CNCCNC(=O)N(C#N)Cc2c(Cl)cccc2 -MOL_01_038333,N1CC(C)CCC1CNc(c(Cl)c2)cc(c23)NC(=O)NC3 -MOL_01_038334,[*][*]C1(N)C=CN=C(C12)N=CC=2CBr -MOL_01_038335,NC(=O)C1[*]C(CCC1)C(CC2)C[*]C2C(N)Cc3c(Cl)ccc(c3)O -MOL_01_038336,c1cnc(Cl)cc1CNC(N)C(CC(C)C)Cc2cc(N)nc(n2)CCc3cc(C)ccc3 -MOL_01_038337,NN/C=C(/[*]C1F)c(c2)ccc(OC)c2Cc(c13)ccc(C(F)(F)F)c3 -MOL_01_038338,CCC(=O)c1c(cccc1)NC(=O)CSCC(O)Cc2ccc(F)cn2 -MOL_01_038339,N=CCc1c(Cl)ccc(c1)N(C2)C=CN(C=23)N=C(O3)NC4CC4 -MOL_01_038340,N1=CC=C(N(C1=2)N2)CC(O)N3C=NN(C(F)O)C=C3C -MOL_01_038341,c1ccnc(F)c1CC(O)(Cc2ccc(CN)cc2)Nc3c(O)cncc3 -MOL_01_038342,N1CN(CO)C=CC1N(CN(C)N2)c(c23)cc(Cl)cc3Cl -MOL_01_038343,c1ccnc(c1N)NCC(=O)c2cc(C)cc(c2)-c(c3CCN)cccc3 -MOL_01_038344,c1cccc(OC)c1C/C(O)=C/c(c2)ccc(c23)ncc(c3O)CC(=C)O -MOL_01_038345,COc(nc1)ccc1C(=N)NN(CC2=CC(=N)CC=C2)Nc(cc3)ccc3C(F)C -MOL_01_038346,c1ccnc(c12)ccc(c2)C(=O)CCC(=O)Nc(nc3)ccc3Cl -MOL_01_038347,CC(N)c1cc(nc(N)cc2)c2c(c13)cccc3 -MOL_01_038348,c1sc(N)c(NO)c1CCCCC2=C(O)Cc(c23)cc(C)cc3 -MOL_01_038349,C1C=CC=CC1(NC(=O)C)C(C(=O)ON)Cc2ccccc2 -MOL_01_038350,C1CC(N=O)C[*]C1C2=C=NC(=[*]2)C/C(=C/C)Cc3ccncc3 -MOL_01_038351,CC(C)N(C(=O)N)CC(=O)ON(C=N1)C=CN1c(cc2)ccc2CNc3cnccn3 -MOL_01_038352,[*]C(C)COc(cc1)ccc1Cc2cnc(s2)-c3cc(ccc3)-c4cccnc4 -MOL_01_038353,ClC1[*]CC(CC1C)CC2CNC(NC2)CC(=C)CCCC(=C)Cc(ccc3)cc3C(=O)NC -MOL_01_038354,CCCOc(ccc1)cc1Nc(n2)c(F)ccc2Cc3cccc(n3)ONCO -MOL_01_038355,Cc1cc(C)cc(C)c1C(=O)N(CC2)CCC2C(=O)NNc(c3Cl)nccc3 -MOL_01_038356,NCc(c1)c(CC)cc(c12)ncnc2Cc3cc(Cl)c(O)cc3 -MOL_01_038357,CC(C)C(N)(O)c1c(cnc(n1)Cl)CNC=C -MOL_01_038358,ClC1[*]CC(CC1)C(=O)CCC(=O)Nc(c2CC)cc(O)cc2 -MOL_01_038359,CC(F)(N)c1ccc(nc1)-c2cccnc2 -MOL_01_038360,c1cncc(Cl)c1C(CC2)C[*]C2Oc(c3C(O)O)ccc(c3)C4CC4 -MOL_01_038361,c1ccccc1NC(O)N(C)CCN(C)c(ccn2)cc2-c3c(F)cc(Cl)cn3 -MOL_01_038362,CCCNC(=O)C1=C(C)C=C(C2=O)C1=CC3=C2C34C=C5C(C=C4)=CC=C5 -MOL_01_038363,c1cc(Cl)ccc1CNC(=O)c2ccc(cc2)CC(N)Cc3cccnc3 -MOL_01_038364,OCNCCC(CC)CC1NN(CCCC)c(c12)cccc2 -MOL_01_038365,C1=CC1C(N)C2CCC(CC2)C(O)c3c(Cl)c(Cl)cc(c3)C/C/4=C/C=C(O)/C=C\NN/C=C\4 -MOL_01_038366,CCc(cc1)cc(c12)cc(C3CNC3)cc2C4CCN(NC4)c5c(Cl)cncc5 -MOL_01_038367,CC(O)c(c1)ccc(c12)Cc3ccc(nc3)NCc4cc(C)c(cc4)/C=C(\[H])C\2=N/[H] -MOL_01_038368,FC(F)(F)c1ccc(nc1)NCCNCN([*]2)CNCNC(=O)Cc(c23)cccc3C#N -MOL_01_038369,NC(=O)C(C)CONCC1CCN(CC1)C(c2ccc(Cl)cc2)c3ccnnc3 -MOL_01_038370,C1CCCCC1C(O)c2c(nccn2)Cc3cc(ccn3)C4(C)CC4 -MOL_01_038371,C1NNCC1C(=C)NOC(=O)OC(CC2)CCC2C(=O)SCCc3c(N(F)C)cnn3C -MOL_01_038372,c1ccccc1NCCONC(=C2C)CC=NN=C2c3ccc(Cl)nc3 -MOL_01_038373,c1cc(F)nc(c1Cl)OC(CC)CNCc(nc2)ccc2C(O)CC -MOL_01_038374,n1cnccc1C(=O)Oc2c(=O)cc(oc2)NNC(O)c3ccccc3 -MOL_01_038375,n1ccccc1N(c2ncccn2)NC(=C)C(N)C3CCC(CC3)Nc4cc(Cl)nc(Cl)c4 -MOL_01_038376,c1ccc(Cl)cc1NCC(CNC(=O)C)c2cccc(c23)nncc3 -MOL_01_038377,c1ccccc1NCCCCC(=N)c2c(cccn2)CCNc3ccc(nc3)OC -MOL_01_038378,O=Cc1ccc(cc1)OCC(O)c(c2)cn(c23)cccc3 -MOL_01_038379,c1cccc(O)c1C(C=C2)=[*][*]=C2C(O)CCc3cc(Cl)nn3C -MOL_01_038380,c1ncccc1CCC(N)NCCCNc2cccn2-c(n3)nnc(C)c3C -MOL_01_038381,CN(C)NNCC(=O)Nc(c1)ccc(cc2)c1c(c2c34)[nH]c3ccc(Cl)c4O -MOL_01_038382,CCCOCc(c1)cc(n(c12)nnn2)CNc3ccc(cc3)NN -MOL_01_038383,c1cc(Cl)ccc1CC(=C)CCc2c(nccc2)/C=C3\C(=O)NC(=O)N3 -MOL_01_038384,C1C=CC=C1Cc2c(C#N)ccc3cnc(c4c23)nccccc(C(C)(N)N)cc4 -MOL_01_038385,[*]C(O)CCC([*])CC(=O)c1cc(-c(oc2)cc2O)cc(c13)cccc3 -MOL_01_038386,OC(O)C=1C=CC(C12)=C(C(=O)C(C)=C2O)NCCC -MOL_01_038387,N1CCCC=C1CCNCc2cc(ccc2)-c3ccc(cc3)-n(c4)nc(c45)cccc5 -MOL_01_038388,c1ccc(O)cc1CC(=O)C2=NN2CC(=O)C3C(C)Cc(c34)cccc4 -MOL_01_038389,C1CNC(NC)[*]C1C2[*]C(O)CC(C2)Oc3cc(Cl)ncc3 -MOL_01_038390,O=CCC1C(N1)c(c2CO)cc(Cl)cc2 -MOL_01_038391,CC1(O)CC(N)(N1)c2ccc(cc2)-c(n3)c(-c4ccccc4)n5CNc(c6c35)nccc6 -MOL_01_038392,c1ccc(CN)cc1CCc(nc2C)cn(c23)cc(n3)-c4ccccc4 -MOL_01_038393,c1ccc(ON)c(nc2)n1c(c23)c(-c(ccc4)cc4C(=O)O)nc3-c(cc5)ccc5C -MOL_01_038394,CC(N)c(c1N)cc(c12)n3c4c(ccc(c4)CC(=O)C)ccc3nc2CCCc5cccnc5 -MOL_01_038395,Clc1nccc(Cl)c1C(C(N)CC2)c(c23)cc(N)nc3-c4c(Cl)cnnc4 -MOL_01_038396,c1cc(Cl)cc(Cl)c1-c(c(c(C)c2)NN)n(c23)nc(n3)C4CCOCN4 -MOL_01_038397,c1cnccc1Cc2c(ON)ccc3c2c(cncc4)c4CNc(c35)n6c(n5)cccc6 -MOL_01_038398,Cn(n1)ccc1-c(cc2)nc(c23)n(nc3)C(C)c(c4)ccc(c45)ncc(n5)-c6cnn(C)c6 -MOL_01_038399,CC(O)CC(C)c1ccc(nc1)NC(C2)=C(C)c3ncc(OCC)c4[nH]cc2c34 -MOL_01_038400,c1cc(CN)cc2n(c3c12)nc(c3)-c(c4O)c(-c5cccnc5)nc(c46)cccc6 -MOL_01_038401,C1CNNC=C1C(C)c2cc(ccc2)-c(cc3)cn(c34)c(cn4)-c5ccc(cc5)S(=O)C -MOL_01_038402,C1NCCCC1NCNCc2cc(C)cn(c23)c(c(n3)C)-c(c4C)c(C)ccc4 -MOL_01_038403,N1CCCCN1CCCOc(c2)cc(c23)cn(-c4cc(OC)ccc4)c(c3N)C5=NN5CCC -MOL_01_038404,n1ccccc1-c(c2CC(=N)ON)c(c(cc3)n2c(c34)OC4)-c5ccccc5 -MOL_01_038405,FC(F)Oc(c1C)cc(cn1)-c(nc2C(=CC3(F)F)CC3)cc(n2)N(C4)N(C5)CC(C45)CN -MOL_01_038406,C=C(C)Cc(c(C)c1O)n2ccc3NC(=O)C/C=N/c(c4c3c12)ccnc4 -MOL_01_038407,N1COCCN1CCCc2nnc(-c3ccc(F)cn3)n2-c4cccnc4 -MOL_01_038408,[*]C(C1)COc(c12)ncc(n2)-n3c(C)nc(N)c3-c4c(F)nc(F)nc4 -MOL_01_038409,c12c3cc(O)c(n2)CN4C(C1CN3CNN)CN(CC4)c5ccccc5 -MOL_01_038410,C1CCNC=C1NCCCc(n2)cc(C)c(c3C)c2nc4c(c5c34)cc(C)cc5 -MOL_01_038411,c1cc(Cl)cc(c12)N(CC)c3c(C(=O)C2C)nc(cc3)COc4cccn(c45)ncn5 -MOL_01_038412,C1CCCCN1CCOc(cn2)ccc2-c(c(c3)CNN)nc4c3CCCC(=C45)CNNC5 -MOL_01_038413,FC(F)(F)CC(O)Cc1cc(ncn1)-c2c(-c3ccc(F)nc3)nn(SC)c2OCOC -MOL_01_038414,C1CN(N)CCC1Cc2cnc(nc2)Cc3nc(c(F)cn3)-c(c4)nc(F)c(c4C=56)C=C6CCC5C -MOL_01_038415,c1ncc(O)cc1-c(n(c23)c(C)ncc3)cc2C(CC4)NN(C45)OCC5 -MOL_01_038416,C1CCC(CO)C=C1c(nc2)cc3n2nc(c(c34)cnc4)Nc(c5C)c(Cl)ccn5 -MOL_01_038417,C12CC(C1)N(C2)c(n3)cc(-c4cc(OC(F)F)c(N)nc4)cc3C5C(C=56)CN(C6)C7CNC7 -MOL_01_038418,CC(C1)C=CC(C=12)=NC(=C2)CC(N)c3cccc4CCCNCC(=O)c(c5c34)ncc(OC)c5CC -MOL_01_038419,n1cc(Cl)ccc1C23c4c(NC(C=C2)NC3)nc(cc4)-c5ccccc5 -MOL_01_038420,CC(N)CCCCc(n1c(c2C)nccc1)c3nc(c4c23)ccc(c4)OCCN(C)C -MOL_01_038421,C1COCCN1C(=O)Oc(ccc2)cc2-c3c(CC)c(N)oc(c34)nnc4C(C)C -MOL_01_038422,n1cc(Cl)cc(c1C)N(CC2)CCC2C(=O)c(cc(n3)C)n(c34)c(N)nc4-c5ccccn5 -MOL_01_038423,CC(F)(O)c(c1)ccc(nc2C)c1n(c23)c(cn3)-c4c(N)ccc(c4)C5(N)CCCCC5 -MOL_01_038424,c1cnnc(C)c1C(=N)C(C2c(nc3)ccc3F)NC(=O)Nc(c24)ccc(F)c4 -MOL_01_038425,FC(F)(F)c1ccnc(n1)C2CCN(NC2)C(CN)c3cncn3C(N(C=45)C4)=C(C)C=C5 -MOL_01_038426,c1cncc(c2)c1cn(c2c(c3c45)C(=N)C(C)C3=O)c5nc6c4cccc6 -MOL_01_038427,c1ccnc(c12)c(-c(c3CC=O)c(CN)ncc3)n(c2)-c4ccccn4 -MOL_01_038428,c1ncn(c1c23)c2c(CC(F)F)c(N)c(c3)CC(=N)c4ccc(cc4)C=5C(=N)C=c(c56)cccc6 -MOL_01_038429,C1CNN(C=12)C=C(N=N2)C(=O)CNc3c(N)ncc(c3c45)c4cncc5CN6CCCCC6 -MOL_01_038430,NCCCCN1Oc(ccc(F)c2)c2C(=C)C13CC(CO3)c4ccccc4 -MOL_01_038431,c12c(c1)nc3c(c2C)c(N)c(n3)C(=O)CC45C(=C4)CN(C(=C)C5)c(cnc6)cc6CC -MOL_01_038432,n1cc(Cl)nc(Cl)c1-c(c2)c(n(c23)cc(nc3)N(C)C(C)C)CC(C=N4)C=C(C4=5)N=CC5 -MOL_01_038433,C1NCNCC1Cc2ccc(cn2)Nn(cn3)cc(c4C5CCCC5)c3c(c46)cnnc6F -MOL_01_038434,C1CC(C1=2)=CN3N(C2C)C(=O)c4c(C3O)cc(C)nc4N -MOL_01_038435,c1cc(F)c(F)cc1CNC(=O)c2n(CN)c(c(c23)nc(C)nc3)Nc4ccn(c4)N -MOL_01_038436,Cc1ccnc(c12)Cn3c(O2)cc(=O)nc3N(NC4)CCN4c5ccccc5 -MOL_01_038437,c1cc(O)cc(c12)n3c(c2CC(=O)O)NCC(C3)N(C)c(n4)cc(N)cc4C -MOL_01_038438,C1C(F)(F)Oc(c12)cncc2CN3CCN(CC3)C4=CN=c5ncc(c6c45)=CC=C6 -MOL_01_038439,c1cc(Cl)cc(Cl)c1-c2nc(C(N)NC3CCNCN3)n4CNCc(c5c24)ccnc5 -MOL_01_038440,Cc(c1)cc(c12)c3c(ccc(c3Cl)CN)n(CO)c2C(O)NCNc4ccncn4 -MOL_01_038441,c1ccc(N)cc1Cc(c2)nc(c23)c4c(ccnc4)n5c3NN(N)CC5 -MOL_01_038442,c1nc(F)ccc1C23c4c(nccn4)N=CN3CCC2 -MOL_01_038443,c1ccc(OC)cc1-c(c2)cn(c23)c(N(CC4)C=CC4C=N)cc(n3)-c(n5)cccc5CC -MOL_01_038444,CCn(c1)ccc(c12)nc(c2-c3ccccc3)-c(cc4)ccc4C5(N)CCC5 -MOL_01_038445,c1nc(Cl)ccc1CCNc2ncc(C3N)n2C34C=c5c(=C4)ccc(c5)-c(nc6)ccc6C -MOL_01_038446,c1ccc(F)cc1C(=O)C(=C2)c(cccc3)c3C24c5c(CC4N)ccnc5 -MOL_01_038447,CC(C)c1cc(cnc1)C(N)Cc2ccc(cc2)-c(n3)cn(c34)cccn4 -MOL_01_038448,c1nc(Cl)ccc1C(N)Cc(ccc2)c3c2C=NC(=C)c4nn(c5c34)cccc5 -MOL_01_038449,COn1cc(C(F)(F)F)cc2c1nnc(c23)c(C)nc3-c(c4C)cccc4F -MOL_01_038450,CC1=C(N)CN(CC1C)C(=N)c(c2)c(c(Cl)cnc3)c3n(c24)ccc4-c5ccc(F)cn5 -MOL_01_038451,[*]=1[*]=[*]N(C12)C(CO)=C(C=C2)c(cn3)c(CC)c(c4)c3nc(c45)CCC5 -MOL_01_038452,N=CCC(C)CCc(nc1)c(c=2c13)c4c(c3=NN2)ncc(N)n4C5CC5 -MOL_01_038453,n1nccnc1CC(C=C2)CN(N23)C(c4ccccn4)(c5ccccn5)C(=O)CC/C=C\3 -MOL_01_038454,FC(F)(F)c(c1)nc(c12)cnc3n2CCN(CC3)CCCNc(n4C)nnc4-c5ccc(C)nc5 -MOL_01_038455,c1nccc(c1c23)cc2c(C#N)c(N)n4c3N(CC4)Cc5ccccc5 -MOL_01_038456,Nc1cccc(c12)cc(c(n2)N)-c(c3)nn(c34)c(cc(c4)C5CCCC5)NC6=NCCC=C6 -MOL_01_038457,CCCC12N(O2)c3c(ccnc3)N1Cc4c(C)nc(C)cc4 -MOL_01_038458,n1cc(F)nc(F)c1CCc(c2c3C24C(=C)CCC)ccc3C=C4c5ncc(cn5)OC -MOL_01_038459,Cc1ncc(s1)C2=CN(C(C2)c3ccc(F)nc3)c4cn(cn4)-c(cc5)ccc5C -MOL_01_038460,N=CCCC(=O)C(C=N1)N2NN1c(c23)cccc3-c(nc4)ccc4C(F)(F)C -MOL_01_038461,c1c(Cl)ncc(c12)OCC(O)N2CC(=N)NCc(c3)ncc4c(c5c34)nccc5 -MOL_01_038462,NCc1cc(ncc1)C(C2=[*])=C(C)N=C(C2=3)C(=NC3)c(c4)ncc(C)c4C -MOL_01_038463,FC(F)(F)c(c1)ccc(c12)c(ncc2ON)-c(n3)oc(C(C)N)c3C(O)CCc4c(F)cccn4 -MOL_01_038464,NCc1c(OC)cc(cn1)-c(nn2)n(c23)N=C(CC3)c4c(NC)cccc4OC -MOL_01_038465,n1nc(F)ccc1C(C2O)CCc(c2c34)cc3n[nH]c5c4cccc5 -MOL_01_038466,CCNCCOC(\C=C\1)=C(/[H])C(/[H])=N/C=C(\C1=2)C=C(C(O)NC2N)c3nn(C)c(c34)cc(Cl)c(F)c4 -MOL_01_038467,NCc1ccc(nc1)C2N=NC(C=23)=CC=C(C3=O)c(cc4)ccc4C5C=C5C6=CCCCC6 -MOL_01_038468,CCCC(N)c1cc(ncn1)NC(=C)C(=C2N)N=c(c23)cc4c(c3)nc=5c(c4)CCCC5 -MOL_01_038469,c1cc(F)ccc1Cc(cn2)c3nccc(c4c23)n(c(n4)O)Cc5ccc(cc5)OC -MOL_01_038470,Nn1nncc1COc(c2)c(-c(c3C(F)(F)F)nccc3)n(c24)cncc4-c5c(F)nccc5 -MOL_01_038471,COc(nc1)c(NC)cc1-c(cn2)nc(c23)n(cc3)-c4ccc(cc4)ON -MOL_01_038472,CCCCCc1cc(c12)c3c2OCC(=O)C4N(C3=N)CCC5C(=C4)COC=C5 -MOL_01_038473,N1CCCC=C2C1C=NC(=C23)C=C4C3=NC(=N4)c5cccc(c56)ccnc6 -MOL_01_038474,c1ccccc1-c(cc2)ccc2C(C)Nc(n3)nccc3N(C(=N)N4)C(C4(C)C)c5ccnnn5 -MOL_01_038475,C1CNCCC=C1CCOc(cc2)ccc2-n(c3c4ccn5O)oc(cc(F)cc6)c6c3cnc7c5c47 -MOL_01_038476,CC1[*]CC(C1)CC(=O)CCC=2C=CC(C23)=C(OOC)C(=O)c4c3ncnc4 -MOL_01_038477,c1ncccc1CN2C(=C)C=C(CC3=CC=CNC3)C24NNC(CO4)Nc5ccccc5 -MOL_01_038478,CN(C)CC(N1)OC(C=12)c3c(cncn3)N(C)c4c2cccc4 -MOL_01_038479,n1cccnc1N2CC2CC(O)N(N3)C(C)(C)n(c34)ccc4Cc5c(C)cccn5 -MOL_01_038480,c1cc(F)ccc1CC(=CC2)C(=C(C23N)C=CNN3)c(c4)ncc(c45)OCC5 -MOL_01_038481,c1c(F)ccc(c12)OCCNC2S(=O)(C)c(cn3)ncc3-c(o4)cnc4C5CC5 -MOL_01_038482,c1ccc(Cl)cc1C(=O)CCC(=C2)CN(N)C(C=C3C=C4C)N2c5cccc4c35 -MOL_01_038483,CCc1ccc(cc1)-c(n2)nc(CCc3ccc(F)nc3)c(C4)c2Nc(c45)c(C)ncc5CN -MOL_01_038484,c1ccc(c12)cn(nc2)C(CC(C3)N)c(c34)ncc(c4)-c5ccccn5 -MOL_01_038485,n1ncccc1Cc2n(C(C)N)c(c(c23)ccc(c3)CC(C)C)N(O)NCc4cc(F)c(F)nc4 -MOL_01_038486,c1cncc(c12)n(c(C)c2)C(=CC3)CC=C3C(C4=O)NC(=O)N4c5ccc(F)cc5 -MOL_01_038487,c1cc(Cl)cc(c12)ncnc2Cc3ccc(O)c(n3)\C4C(CN)C/C=C\CC(/C=45)O5 -MOL_01_038488,Cc1cc(ccc1)C2(N)C(CN(C)C)CNc(c23)cc(cn3)-c4cc(OC)ccc4 -MOL_01_038489,FC(F)(F)c1cccc(n1)N2CCN(NC2)C3Cc(cccn4)c4Cc(c35)ncc(C)c5 -MOL_01_038490,CCCc(c1Cl)c(CC(=O)C)cc(c1NCC(C=23)C2)C3c4cnccn4 -MOL_01_038491,c1ccccc1CCNC(=N2)C(=C(C(=O)N3C)C2=C(C4)C34O)Cc5cc(Cl)c(Cl)cc5 -MOL_01_038492,OC(O)C1CCC(CN1)c2nc(-c(c3)c(F)cc(Cl)c3C)cc(C4)c2CS45=C=N5 -MOL_01_038493,NC(=O)c1cc(cnc1)-c2cc(C3CCCCN3)nc(c24)C(CC4)c5ccncn5 -MOL_01_038494,c1nccc(c12)nc(c(F)c2)-c(cc3C)n(c3)C(=N)Nc(cn4)c(F)cc4C(N)N(C)CCN(C)N -MOL_01_038495,n1c(F)cccc1-c(ccnc2)c2C(=O)N(C3)NC(=C34)CN(C4)c(n5)nncc5C -MOL_01_038496,NCC(=O)C(CC1)CC2N1c(c23)ncc(c3)Nc(nc4)nc(c45)c(C(C)C)c(cc5)OC -MOL_01_038497,C=CC(=O)Oc(n1)cccc1N(CC2)C(C23C)=Nc4c(C3=N)cc(C)cn4 -MOL_01_038498,c1cc(Cl)cc(Cl)c1CC(N)C2=C(N)N(C(C)c(c23)ncc(F)c3)Cc4cccnc4 -MOL_01_038499,CC1(N)CCC(=CO1)c2c(nncn2)NC(=O)c3c(C)ccc(n3)-c4c(Cl)cccn4 -MOL_01_038500,FC(F)(F)c1c(Cl)ccc(c1)Cc2cc(ncn2)-c3c(-c4ccccn4)nn(c35)ccnc5 -MOL_01_038501,c1nc(Cl)ccc1Cc(c(N)c2C(=O)N)nc(c23)c4c(cn3)CCC(N4)N(C)C -MOL_01_038502,C1CNCCC1C23C(NCC2)=C4C(C(=O)CC3)=C(C)C(=C4)c5cc(nnn5)-c6c(F)cccc6 -MOL_01_038503,CN1N(C)C(O)=C(C)C(C)=C1Cc2c(cn(c23)nc(C)c(c3)N)N4CCNCC4 -MOL_01_038504,FC(F)(F)c1c(Cl)c(ncc1)C(=O)C(CC2)C(C)n(c23)cnc3-c4cnccn4 -MOL_01_038505,o1cccc1-c(c2)c(-c3ccco3)nc(c24)ccc(c4)-c5c(F)nncc5 -MOL_01_038506,C1CCCC1n(c(n2)C(=O)N(C)C)c(c23)nc(nc3)Cc(nn4)cnc4C(=O)C(C5)CC(=C56)CNC6 -MOL_01_038507,COc(c1)c(OC)nc(c12)cc(-c3ccccn3)nc2N(CC4)CCC4c5c(F)nccc5 -MOL_01_038508,C1NCNC=C1c(n2)nc(-c3cc(O)ccc3)c(c24)N=CC4c5ccnnc5 -MOL_01_038509,n1cc(F)c(F)cc1CC(O)CCc(nc(c23)cnc2C)n(c3C)-c(c4)ncc(Cl)c4C -MOL_01_038510,CNCC(C)c1c(O)cc(cc1)-c2c(O)cc(C)c(c2=C34)=NC(=O)C3=NC=C4 -MOL_01_038511,n1ccccc1Cc(c2O)c(=N)c(N)c(cc3)n2c(c3c45)c4cccc5 -MOL_01_038512,CCCCN(C1=O)C(=O)C(C12)C=C(C=2c3ccco3)c4c(N)cncc4 -MOL_01_038513,c1cc(F)c2cc1S(=O)(N)Nc(c3)c(nc(c3c24)ccc4)C(CN5)CC=C5c6ccccc6 -MOL_01_038514,Fc1cccc(F)c1C(C(=O)N)c2nc(-c3c(F)cncc3)nc(c24)n(cn4)Cc5ccccc5 -MOL_01_038515,c1cc(F)ccc1C(N)CCCC(C=C2)=CC(N)c(n3)c2nc(c3c45)NNc4cccc5 -MOL_01_038516,c1ccnc(c12)N(C(C)C2)C(=O)c3cc(ccn3)C4=NN4c5cccnc5 -MOL_01_038517,CC(N)C1=CC=C2NCC3=C(c(c4C3=C12)cccc4)NOc(cc5C)ccc5 -MOL_01_038518,CC(C)CNCNC(N)c1cc(ccc1)Cc(n2)cnc(c23)nc(cc3C)C45C(=C4)N=CC=C5C -MOL_01_038519,CCCCc(nc1)cc(F)c1CC(N(CN)C(=O)CCC)C2=CCC(C234)=CN=C3C=CC=C4 -MOL_01_038520,COCCN(CC(C=12)CC1)C=C2n(cc3)c(c34)ncnc4N5CCNC5 -MOL_01_038521,CC(=O)CC(C1=C)=CC(=O)c(c12)ccc(c2)-c(ccn3)c(n4)n3c(c45)nccc5 -MOL_01_038522,c1nc(F)ccc1-c2cn(C(=O)N)c(c23)CNc4c3cc(cc4)CC(O)c5c(Cl)cccc5 -MOL_01_038523,CS(N)c(cc1)ccc1C2=CN=C3c(cnc(F)c4)c4C23c5ccccc5 -MOL_01_038524,n1ccccc1C(N2)=NC(=C)N(C=C3)C=2C(=C34)OCCCCCNC5=C4C=C(C)NC5 -MOL_01_038525,c1ccccc1Nc(sc2)c(c23)C4C3=CNCC4c5cccnn5 -MOL_01_038526,NC(O)CCc1ccnc(c12)N=C3C2=CN=C(C3=N)c(cc4)ccc4CC -MOL_01_038527,c1ccc(NC)cc1C(C2=O)=C(c3ccccc3)C=C4N=c(c5=C24)cccc5 -MOL_01_038528,c1ccnc(c1Cl)N(NN2)C=CC2CC(N3)CN4C(=O)Nc(c5C=34)ccnc5 -MOL_01_038529,NC1=CN=C2c(cccc3)c3C12C(=O)C(CC4)CC=C4C/C=C/c5ccccc5 -MOL_01_038530,N=C(N)NNCc1cc(ccc1)C(=C2)C=c(c2c34)nc(CC)c4=NC=C3C -MOL_01_038531,C1CNC=CN1C2=NN(C(C)C)C(=O)N(c(c23)nncc3)Cc4ccc(N)nc4 -MOL_01_038532,C1=NN=CN(C1=2)C=NC(=CC2)CCOc3c(CC)ccc4/C=C/CCC\N=C\c(c5c34)cccn5 -MOL_01_038533,CNCCN(CCC)c1cc(C)nc(c12)C(CNN2)c(c(c3)N)cc(CN)c3CC -MOL_01_038534,c1ccnc(c12)C(N)C(CCC(F)(F)F)=C2C(=O)NCc3cnc(cn3)OC(F)(F)F -MOL_01_038535,c1cccc(Cl)c1-c2cn(cn2)C(=O)Cc(s3)cc4c3N(CCC)C=C(C4=5)C5 -MOL_01_038536,N#Cc1cc(F)cc(n1)-c(c2)ccc(c23)CC(N)COC3(C(F)F)n4cccc4 -MOL_01_038537,c1cccc2c1C=c(c2c(c=3c45)NCC3N)c5oc6c4cccc6 -MOL_01_038538,CN(C)c1ccc(c12)n(C(=O)C(C)CN)c(CC(C)N)c3c2cccc3 -MOL_01_038539,N=CN(C1)CCC1(C)C(CC2)c(c23)cc(N4CCCCC4)nc3-c5cnc(N)nc5 -MOL_01_038540,c1nc(Cl)ccc1NCc(c2)cn(c23)C(=O)C(CC3N)c4c(F)cccn4 -MOL_01_038541,Nc1nc(C)n(c12)c([*])c(nn2)-c(c3)c(F)cc(c34)CCC(=O)C4CC=C -MOL_01_038542,FC(F)(F)c(c1)ccc(c1C(F)(F)F)C2NC(C(=O)O)C=C3C2=Nc(c34)cncc4 -MOL_01_038543,c1ccccc1CC(O)c2c(Cc3ccc(cn3)OC)nc(-c4ccccc4)nc2-c5cnc(F)cn5 -MOL_01_038544,c1cc(Cl)cc(c1C#N)C2=NC(=C)N(N=C2Cl)C(NCCC3)C3(O)Cc(cc4)ccc4C(=N)O -MOL_01_038545,c1ccccc1C\C(c2c(C/C=N\3)cncc2)=C(\C3=c45)C(=N)N=c4cccc5 -MOL_01_038546,Cc1ccc(cn1)C(C2=N)C(c3ccc(Cl)cc3)=C2Cc4ccnc(n4)-c(n5)cn(c56)cnnc6 -MOL_01_038547,CC(N)CC(C)C1=C(C)NC(N)=C(CN)N1c(c2)c(nc(c23)cccc3)N4CCOCN4 -MOL_01_038548,COc(nc1)cc(Cl)c1CCCCCCCC23C(CN3)=C(N=C2NN)c4cccnc4 -MOL_01_038549,C1CC(N)CC=C1Cc(nc(c23)n(cn3)C(C)N)nc2CCc4ccc(s4)-c5ccccn5 -MOL_01_038550,CCNC(=O)C(N)Cc1c(ccc(Cl)c1)Nc2ccnc(c23)sc(c3C)C(O)CC -MOL_01_038551,n1cnccc1C(C(C)C)NCC2(CC)OCNc(c23)n4c(n3)cnc(C)c4 -MOL_01_038552,CC(C)(N)Nc1nc(C(F)(F)C)cc(c12)ncc(c2)-c(cc3C)ncc3 -MOL_01_038553,FC(F)(F)c1cc(ccc1)Nc(nn2)ccc2C34C(=C3)C(Cl)=C(CO)N=C4C -MOL_01_038554,NCNc(ncn1)cc1C(=C(C2NC)C(O)CCC)Nc(c23)cc(cc3)NC -MOL_01_038555,c1cc(Cl)c(OC(F)(F)F)cc1C2=NC(=C(C2=3)NCOCC3)C(=C4)ON(C)C=C4C -MOL_01_038556,CCCc1cc(ncc1)NC(=O)Cc(ccn2)c(c23)N4C(C3O)CCNC4 -MOL_01_038557,c1cccc(Cl)c1CNC(=O)CC(C(=O)C2)=C(C)c(c3)c=2c(C)c(c34)N=CC=4C(C)N -MOL_01_038558,C1CCc(c12)nc(cc2)Cc3c(-c4ccco4)cc(c35)cnnn5C -MOL_01_038559,CC(C)Cc(c1C#N)ncc(c1)-c(n2)occ2-c3cncc(c34)C4CCCC -MOL_01_038560,c1ccc(Cl)cc1C(NN2)CC=C2C(O)CCCc3cnc(n(CC)c4C)n3c(c45)cnc5 -MOL_01_038561,NCN1C=CN=CN1c2c(C(C)CC=CN3)c3cc(n4)c2nc(c45)[nH]cc5 -MOL_01_038562,FC(F)(F)CCC(=O)Cc1cc(cnc1)-c(cn2)n(c23)ccc(c3)-c(n4)nccc4C(F)(F)F -MOL_01_038563,CCc1c(OC)ccc(c1)C(C2=O)=C(NN)N=C3C=C(C4=C23)CCNN4 -MOL_01_038564,C1=CC=c(c12)c(=C)nc3c2c(c(N)nc3C)-c(cc4)ccc4CNCOCC -MOL_01_038565,N1CN1C(N)c2ccc(nc2)NC(=N)c3c(cn(n3)C)-c(c(F)c4)nc(c45)cccc5 -MOL_01_038566,Cc1c(N)cn(c12)CCCNC(C)C3N2N(NNC3)N(N)C4CCCC4 -MOL_01_038567,C1NCCCC1Cc2c(-c(n3)nn(c34)c(ncn4)C5CC5)c(O)cc(n2)C6=CCN(C)CC6 -MOL_01_038568,CCC(=C)CCC1C=C1n2cccc(o[nH]n3c4)c2c3n(c45)cccc5 -MOL_01_038569,n1ccccc1CNc(c2OC)ncc(c2)-n(c3)nc(c3-c4ccccn4)-c5ccc(Cl)cc5 -MOL_01_038570,c1c(F)ccc(c2)n1c(c23)CCN(CC3)CCCCc4nnc(n4C)-c5cccc(c56)nc(C)nc6 -MOL_01_038571,c1cc(ON)c(OC)cc1C2=NC(N)Cc(c23)nnn3-c4ccccn4 -MOL_01_038572,CC1N=NC(C=12)=C([*])Cc3c2nnc(c3)NC(O)OC(CC4)CC=C4CC -MOL_01_038573,COc(cc1)c(CN)c2cn3Cc(c4c3c12)nc(O)c(n4)OC -MOL_01_038574,n1nc(Cl)ccc1C2(c(c3NC)ncnc3)C(CC4)CCC4NCc(c25)cccc5 -MOL_01_038575,CCc1c(=O)n(C(=O)CCN)c(c(c12)cccc2)C3=CCC(C=C3)c4cnc(F)nc4 -MOL_01_038576,COCCNCc1ccnc(n1)-c(cc2)nc(c23)nc(C4=C(N)CNCC4)nc3C5=CCOCC5C -MOL_01_038577,C1NNC(C(=C12)O)C=C(C2)C(=O)c3ccc(cc3)Cc(nn4)cc(c45)n(nc5)C6CCCCCN6 -MOL_01_038578,FC(F)(F)CN(C1)CN(C12)C2c3cc(-c4cc(Cl)c(N)nn4)nn3CCCC -MOL_01_038579,o1ccnc1-c(cc2)n3CN=C(c(c4c23)cccc4)c5c(Cl)nccc5 -MOL_01_038580,COc(cc1)c(OC)cc1CCNCOC(C=C2)=C(N=C3C)C2=C(O4)C34Cc5c(Cl)cccc5 -MOL_01_038581,N1CCCCN1c(n2)cnc(c2CN)-c(c3)c(Cl)cc(c3=C45)=CC4=CC5C -MOL_01_038582,CN(C)CCOc(cc1)ccc1CCC(CC2)CN(N3)N2C(C=34)=C(O)N(C)C(O)=C4C -MOL_01_038583,c1ccc(C(F)(F)F)c(c12)CC(N)C2(c3ccc(N)nc3)C4=CCCCCC4 -MOL_01_038584,N#CC1=CN=c(c12)/c3=N/c4cc(ccc4)NC\C=C\CNC5=C(CN)C(CN5)c(n2)c3 -MOL_01_038585,c1ncccc1NC(O)C2=CC(CCC2)c3ncnc(c3=4)=C5C(C4)=CCCCC5 -MOL_01_038586,O=C1CC(O)C/2=C/c(cc(CC)cc3)c3/C=N/c4ccc(c5\c4=C1\2)C=CC=5C -MOL_01_038587,FC(F)(F)c1cc(ncc1)NC(C)c(c2)cc(NCC)c(OC3)c2C(N)c(c34)nccc4C -MOL_01_038588,CC(C)CC(=O)c1c(N)cc(c(c1)-c(nc2)cc(c23)OCC3)C4=CCCCNC4 -MOL_01_038589,FC(F)(F)c1ccc(nc1)NC(c2ccc(nc2)OC)C(CO)c(c3)nc(OC)c(NC)c3CC -MOL_01_038590,CC1=NN=c(c12)c(=C)c(CC)c(n2)-c3c(Cl)nc(O)cc3 -MOL_01_038591,C1CNCCC1C(=N)c2ccc(nn2)N(C3=C)C(=Nc(c34)cccc4)CNc5cc(F)ccc5 -MOL_01_038592,c1ncc(F)cc1N(C(=N)c2cccs2)CCCC(C3=N)C(C)c4nccc5cccc3c45 -MOL_01_038593,Nc(n1)cccc1C(N)(C2C)NCN(C2=3)CC(=CC3)c4cnncn4 -MOL_01_038594,CCCOC(O)C(CC1)=Cc(c2)n1c(c23)c(NCON)nc(c3)-c4ccccc4 -MOL_01_038595,c1cccn(c12)nc(n2)CCn(nc(n3)C)c(c3c45)nc4cc(CC)nc5 -MOL_01_038596,CC(F)(F)c1cc(ccc1)C(CC2)=CN=C2C(=N)c3cccc4C(C)NNc(c5c34)cncn5 -MOL_01_038597,C1CCCC=C1CCCc(c2)c(-n3ccnc3C)nc(c2c45)NC(=O)Nc4cncc5 -MOL_01_038598,n1ccccc1-c2c(nc(c23)n(C(=O)N)ccc3)-c(cc4)ccc4C5(C)C=CC5 -MOL_01_038599,c1ncnc2n1nc(c(c23)ncc3)C4CCN(NN4)c5c(F)cncc5 -MOL_01_038600,CC(C)n(cn1)c(c12)cc(CCCO)nc2CNc3cccnc3 -MOL_01_038601,Oc1ccc(c1c23)nc(n3OC2)NC(=O)NCc4c(CCC)ncnc4 -MOL_01_038602,NC(=O)N(C1)NNn(c12)c(cc2)C(O)N(NC3)CCC3c(c4C(F)(F)F)nc(F)cc4 -MOL_01_038603,C1CSCC=C1Cc2ccc(cn2)C(C(C=34)NNC3)Nc5c4cccn5 -MOL_01_038604,CC(N)c(n1)ccc(c1c23)OCC(O)Cc2ccc(n3)N(N)NCC -MOL_01_038605,c1cccc(c1c23)cc2nn(CC)c(c3C)NNCN4C=CN(N=C4)N5C=CC=CN5CC -MOL_01_038606,CC(C)(N)c1ccc(cc1)-c(cc2C(N)N)cc(n2)-c(c3)cnc(c34)cccc4 -MOL_01_038607,C1=CC=NN(C1=2)N3C(N=NC=C3)=NC2C4C=CC(CC4)c5ccncn5 -MOL_01_038608,C1C(N)OCCN(C=12)C(c(cc3C)cc(c3)OC)=NN2c(c4)ccc(Cl)c4OC -MOL_01_038609,CC(C)(N)N(CC1)CCC1C(C)c(n2)cnc(c2c34)CCCn4nc(n3)-c(nc5C)n(n5)C(C)C -MOL_01_038610,c1cncn(c12)cc(c2)N(C=C3)N(N34)OC(=CC4=N)C5=CCCNC5 -MOL_01_038611,CCc(nn1)nc(c12)n(C3CCCN3)c(c2)Cc4c(F)nccc4 -MOL_01_038612,C1CCC=CC1C(=O)Cc2nc(-c(ncc3)cc3CCN)n(n2)-c4ccc(cc4)OCNC(F)(F)C -MOL_01_038613,c1c(Cl)cc(C)c(c1C(=O)NO)CC(O)n2nc(Cl)cc2-c3c(Cl)nccn3 -MOL_01_038614,CC(=N1)SCCC1(C)c2cnnc3OCNCc(c4c23)cnc(Cl)c4 -MOL_01_038615,C=C1C=CC(=C12)CNC(=O)c3c2cc(nc3)OCc4cc(C)nc(c45)cccc5 -MOL_01_038616,COCCCCC(=C)C(C=C(C1=N)CCOC)=C(C12)c3c(C=2C)nccc3 -MOL_01_038617,NCC(=O)c1cc(F)c(c(F)c1)C2=C(N3C=C(C2=4)C4)C=NC=C3c5c(F)cc(F)cc5 -MOL_01_038618,c1cnccc1CC(N)c(cc2)nc(c2Cc(c34)nccc3)C=C4C5CNCC=N5 -MOL_01_038619,C1=NN=C(C12[*])C=CC=C2NC(=O)NCc(c3)cnc(c3C(F)(F)F)N4CNCCC4NC -MOL_01_038620,O=C1C=CCN1CCC2C=CC(CC2)c(c(c34)cnn(C)c4)cc3-c5cnc(F)cn5 -MOL_01_038621,c1ccnc(c12)CC(CN2)c(c3C(F)(C)N)ccn(c34)c(cc4)CC5CC5 -MOL_01_038622,c1cnccc1CNc(cc2)nc(c2nc3c(C(O)O)ccc4c35)c5NC4CCCCNCC -MOL_01_038623,O=C1C(C)CC(=N)C(C2)=C1C(CCCCN)c(c23)nn4c3nccc4 -MOL_01_038624,CC(C)C(O)Cn(c1)ccc1Cc(cn2)cc3c2CCc(c34)nn(C)c4-c5ccccc5 -MOL_01_038625,FC(F)CCN(C(=O)C)CCC(CC1)c(c12)cc(N3CCOCC3)nc2-c4ccc(N)nc4 -MOL_01_038626,O1COCC1(CC)C(NNCO)n(cc2)c(c23)nc(N)nc3CC -MOL_01_038627,CC1=COCCC1c2nc(NC(C)CC(C)C)cc(c23)cc(nc3)-c(c4)cnc(NC)c4CO -MOL_01_038628,c1ccnc(N2CCN)c1C=C(C234)C=CC=C3/C=N\C=N/C=C/C=N\C=C\4 -MOL_01_038629,c1cnc(Cl)n(c12)cc(n2)NC(CN3CCCCN3)C(=O)NN(C)CC4=CCc(c45)cc(F)cn5 -MOL_01_038630,NC(=O)COC(CC)C(=O)C1=C(c2c(F)nc(F)cc2)CN(CN1)c3ccc(F)nc3 -MOL_01_038631,FC(F)(F)c1ccc(cc1)C(=N2)N=c(c2c34)c(NCO)nc3=NC(C)=C4 -MOL_01_038632,O=C1Oc(c12)c3c(C)o[nH]c(n3)c(c(F)ccc2=O)C4=CCCCN4 -MOL_01_038633,c1cc(Cl)nc(c12)C(O)NC(Cc3ncccn3)c4n2c(=O)cccc(F)ccc4 -MOL_01_038634,Cc1ccc(cc1)-c2nc(C3CCOCO3)nc(c24)C(CC4)c5cccnc5 -MOL_01_038635,CC(O)c1cc(ccc1)-c(c2)c(N)n(c23)c(nn(CC)c3=N)-c4ccccc4 -MOL_01_038636,FC(F)(F)c1ccc(nc1)-c(cc2)ccc2CC(c(c34)cncn4)C5=C3NCC5 -MOL_01_038637,c1ncccc1-c2c(nccc2)N\C=C\c(c3)cnc(c3c45)C(C)(N)c4cccc5 -MOL_01_038638,c1ccccc1-c2nnnn2CC(=O)Nc(cnc3)cc3N(O)c4cn(C(C)C)c(c45)ncnc5 -MOL_01_038639,c1ccnc(F)c1C(CC2)CC=C2CCNCC34c5c(cncc5)C3=NC(=C4)NCC -MOL_01_038640,C1CNCCN1CNCNC(=O)n(c2)nc(-c(ccc3)cc3CC)c(c2c45)nc4cccc5 -MOL_01_038641,[*]c1cc(ccc1)-c2c(O)nc(Cl)c(c2=C34)=CC(=O)C3=CC=C4 -MOL_01_038642,c1cccc(Cl)c1C(O)Nc(nc2)cc(c2oc(c3c45)cccn3)cc4n(NN)ncc5 -MOL_01_038643,c1cc(N)c(C)cc1CC(C2N)=Cc(c23)cc(O)c(c3N)-c(c4)ncc(N)c4C -MOL_01_038644,C1CCC(CN)n(c12)ccc2-c3ccc(c(n3)OC)-n(n4)cnc4C -MOL_01_038645,c1ccnc(c12)N(C(C)C2)C(=O)Cc(nc3C(=O)O)c(O)c(c34)cccc4 -MOL_01_038646,Cc1c(C)nc(nc1C)CCC2=NN2c3c(O)c(n(C)c3N)-c4ccncc4 -MOL_01_038647,CC(C)(O)C1C=C1N(N=C2)CN=C2C(C)CNC(=C3)C=C4C=c(c5=C34)ccc(n5)OC -MOL_01_038648,C1=CC(C)CC=C1c2c(C(C)C)c(=O)n(c(c23)ccnc3)-c4ccncn4 -MOL_01_038649,CCc1cc(nc(c1)OC)C(NS2)=Nn(c23)c(nc3)-c4c(OCC)cccc4 -MOL_01_038650,c1cccc2c1C(=N)N=C(C2=3)C(c4ccccc4)=NC3c5cncnc5 -MOL_01_038651,C1NCCc(c2C#N)n1c(c23)c(ccc3)C(CN4)CCC4Cc5ccccn5 -MOL_01_038652,FC(F)(F)C(=N)CC(CCN1)C2N1c(cc(C(C)=N)cc3)c3Oc(c24)ccnc4 -MOL_01_038653,C1CCNN=C1CCCc2c(-c(cc3C)nc(n3)N)c(C)nc(c24)cc(Cl)c(c4)CO -MOL_01_038654,[*]=Cc(c1)cnc(c1=C23)=CC2=C(C#N)C(=CC3=O)c4ccccc4 -MOL_01_038655,C1C=NC(C=12)=c3c(=C(C2=O)CC(F)(F)F)cc(cc3)-c(cn4)ccc4C(CC)NN -MOL_01_038656,c1nccc(c1C(F)(F)F)Nc2nnn(c23)c(NC4CCNC4)cc(c3)-c5ccccn5 -MOL_01_038657,FC(F)(F)c(c1)nnc(cc2C)c1n(c23)c(cc3N)-c(c4C)ncnc4 -MOL_01_038658,Fc1ccnc(c1CC)C(=N)C2C(N)N(NON2)Cc(c3)nnc(c34)cccc4 -MOL_01_038659,CCC1CCCn(c12)c(nn2)-c3cc(OC)c(nc3)-n(nn4)cc4C -MOL_01_038660,c=12c3ncc(C)c\2=C\C(=C/CC(=N3)C1)\C(O)CN(CC4)C=CC4c5ccccn5 -MOL_01_038661,COC([*])C1=C(N)NCC(=C1c2cccs2)C(C(=O)CCC)NCc3cc(Cl)ccc3 -MOL_01_038662,n1cc(N)cc(C)c1C(=O)N(C(C)C2)Cc(c23)nc(C)nc3-n4cccc4 -MOL_01_038663,c1cc(F)ccc1CN2CCN(C(N3)CO)N2c(c34)nc(cc4)-c5ccccc5 -MOL_01_038664,N1CCCCN1c(c2)ncc(c23)nc(-c4ccc(F)cc4)c(O)c3Nc5ccc(F)nc5 -MOL_01_038665,c1c(Cl)ccc(c1=2)=C(CCC)C(N)=C(NC(C)O)CC2c(c3CC)cccc3NC -MOL_01_038666,c1ccccc1CNC2C=C(c3ccccc3)C(C=24)=CC(=C(C4=O)N)Nc5ccc(F)nc5 -MOL_01_038667,c1cc(F)nc(nc23)c1n3c(C(N)NC=O)nc4c(c5c6c24)cccc5=NCC=C6 -MOL_01_038668,CC(=O)Cc(c1Cl)c(NC(=O)N)cc(c1CCN(C23)C2)N3c4ccccn4 -MOL_01_038669,CCC(CN)c1nc(c(cc12)CC2O)N(CC3)CC(N)=C3Cc(cc4)ccc4CC -MOL_01_038670,c1ccnc(NC(=O)C)c1-c(cc2)cc(=C(C3=O)CC(F)(F)F)c2=C(C3=4)N=CC4 -MOL_01_038671,C1NCCCN1c2nc(CCCCC)nc(c23)c(N4NCCCN4)nc(c3)OCCCC -MOL_01_038672,n1nc(F)cnc1C(=O)Cc2ccc(nc2)CCC(=CC3=O)C=C4N=C(C5=C34)NNCC5 -MOL_01_038673,c1ccnc(c12)C(=N)C(Nc(c3C)cccc3)C2(O)c4ccc(Cl)cc4 -MOL_01_038674,n1ccccc1CC(N)NCCCCCCC2=C(N)N=C3c(cccc4)c4C23c5ccccc5 -MOL_01_038675,CC(N)n1ncnc2c1cc(O)c(c23)nc(c3O)-c(cc4)ccc4CN -MOL_01_038676,C1C=Cc(c=1c2=3)ccc2C(C(=O)N)=CC3c(nc4)ccc4CCCOCC -MOL_01_038677,CCCC(O)c1cnn2c(O)nc(c3c12)cc(Cl)c(n3)CC(N)NCCc4cccnc4 -MOL_01_038678,c1ccccc1C=2C(c3ccncn3)=CC(C24)N=CN(C4N)c5ccccc5 -MOL_01_038679,C1C=NN(C(F)(F)F)C(\C=12)=C(/c(cc3C(F)(F)F)ncc3)NNCCCC(=O)N2 -MOL_01_038680,CC1=C(F)C(CN)=C(F)N(N12)C=C(C=C2O)c(cc3)nc(F)c3C -MOL_01_038681,n1cccnc1-c(n2)c(CC3C=C3)c(C)n(c4OC)c2cc(c45)ccc5 -MOL_01_038682,c1ccc(C(O)O)c(c12)C(O)N(C2=O)NC(C)C3=CCN(CN3)c(nc4)ccc4F -MOL_01_038683,CC(=N)C(=C1)OC=Nc(c12)oc(c2C#N)-c3nccc(c34)cccc4 -MOL_01_038684,FC(F)(F)c(n1)cc(C(F)(F)C)c2n(c3c12)cc(c3)CCN -MOL_01_038685,FC(F)(F)c1cc(ccc1)N2C(N)=NC(=C)C(C2[*]34)CCC3CCC(C4)c5ccc(N)cc5 -MOL_01_038686,CCc(c1)c(OC)cc(c12)ncnc2N(NCN3)CC3c(nc4OC)nc(OC)c4OC -MOL_01_038687,c1cnc(cc1Cl)NC(C)CCc(nn2O)nc3cc(c4c23)CCCN4 -MOL_01_038688,C1CCOc(c12)nc(cc2)Cc3ccc(o3)-c4c(cnn4C)NCc5cncnc5 -MOL_01_038689,Clc1cccc(Cl)c1C2=C(C(O)CCC)C(N)Cc(c23)c(N)ncnc4c(nc3)cccc4 -MOL_01_038690,NCCCCCC12c3c(N=C1CC=C2)c4c(cc(C)cn4)c5c3ccc(F)c5 -MOL_01_038691,CNC(=O)c1c(cccc1)Cc2c(Cl)cnc(n2)Nc(c(c3)OC)nc(c34)CCCCN(N)CC4 -MOL_01_038692,c1cccc2N(C=C)C(c3c(NC)cccc3)Nc(c4c12)nc(nn4)CC -MOL_01_038693,c1cc(Cl)ccc1-n(c2)nc(c2N)-c(nc(c34)cccn4)c(c3)-c5ccccc5 -MOL_01_038694,CCCc1cncc2NC(=O)Cc(cc3c12)c4c(c3)nccc4 -MOL_01_038695,C1NN=NC=C1CCN(N)C(=O)C(CN2)CCC23c4c(C(=O)O3)cccc4CC -MOL_01_038696,C\N=C\c(c1=O)cn(C(CF)(C)C)c(c12)nc(c(F)c2C)CNCCN -MOL_01_038697,CC(C)(C)Oc(c1)cnc(Cl)c1-c(cc2)n(c23)cnc(C(=O)NC(C)C)cccnc3C -MOL_01_038698,O=C(O)CN(N(C1=2)N2)N3C(\C=CC=C3)=N\N=C(C(\CN)=C\C=C\1)\c(cn4)ccc4C(F)(C)C -MOL_01_038699,C1CCCC(C12)CNC([*]2)Nc(n3)nccc3-c(n(c45)cccc5)c(c4)-c6ccccc6 -MOL_01_038700,N#Cc(c1)ccc2c1CC(=N3)C23c4nccc(c45)cc(cc5)CCNCC6CCCCC6 -MOL_01_038701,c1ccc(N)cc1C(=O)CC(C(=O)N(N)c(c23)cccc2)CC3c(c4F)ncnc4 -MOL_01_038702,CC(=O)c(c1)ccc(c1C(F)(F)F)Cc2ccc(cc2)-c(c3)nc(CN)c(O4)c3C(C4=5)C5 -MOL_01_038703,c1ccccc1S(=C)(=C)C2(Cc3cccnc3)C(=N)Cc(c24)cccc4 -MOL_01_038704,c1cc(Cl)ccc1CNCC(=O)NCC(C(C2=3)C(=O)C(N3)C)=Nc4c2nccc4 -MOL_01_038705,CNC(CC1)CC=C1NN(C2)C(Nc3cccnc3)=CC(=N4)C=2N(c(c45)cccc5)c6ccc(F)cc6 -MOL_01_038706,CCCc(c1)cc(N(C)C2=C)n1C(=N3)C23O -MOL_01_038707,OCCC1=C(C(=O)C(C)(C)C)C=C(C1=2)C3N(CC2)C(=O)C(=C3O)c4ccccc4 -MOL_01_038708,CC(C)C/C(=N\[H])/C(/C1N)=C/Cc(cc(Cl)cc2Cl)c2/C=c(\c=1\3)c(Cl)ccc3C(C)N -MOL_01_038709,c1cc(F)ccc1C(=N)Nc(nn2-c3ccccc3)nc2C(=C4N)COc(c45)cccc5 -MOL_01_038710,CCC(C=C1)=CN([*]12)N=C(N(C2=N)C(C)OCC)c3cc(N(C)C)ccc3 -MOL_01_038711,c1cc(Cl)cc(Cl)c1C(C2CCNC2)C(=C3N)C=C(C3=4)N=C(C4)c5ncco5 -MOL_01_038712,C1[*]C1(O)c2c(cnnc2)N3NCC(C3=O)c(ccn4)cc4C(F)(F)F -MOL_01_038713,c1c(F)cnc(c1C)ON(CN2)C=CC2c(c(c3)NN4CCN4)nc(c35)ncnc5 -MOL_01_038714,CC1CCCON1c2nc(C(=C3C)CCOC3)nc(c24)cc(cc4)-c5ccc(nc5)ONC -MOL_01_038715,c1ccccc1C(C2)=NC(C=23)=C(c4ccccc4)C(N)=C(C3=N)c5ccccc5 -MOL_01_038716,C#Cc1ccc(cc1)C(=O)Cc(c2)cnc(F)c2C3(C(F)F)CC(N)OC(=C34)O4 -MOL_01_038717,C1CCCC1C(=O)C(Cc(c23)nncc3)C2C(=O)C4=CN4c5cccnn5 -MOL_01_038718,CCc1ccc(OCCN)c(n1)-c(c2)nc(O)c(n3)c2cn(c34)ccc4Cc5ccc(F)cc5 -MOL_01_038719,C1CCCC1NC(=O)c(c2)c(N)c(C3=CCCCC3)c(c24)N=C5N(C4=C)C=C(C)C=C5 -MOL_01_038720,c1cc(F)ccc1C2=CC(=C(C2=3)CCN(C3)C(=O)C)C4C(O)Cc(c45)cc(Cl)c(Cl)c5 -MOL_01_038721,Fc1cncc(NN)c1C(CC(F)F)N(C=N)Cc(cc2)nn3c2nc(c34)nccc4 -MOL_01_038722,C1CC1c2cn(C(=O)C)c(=O)c(c23)cc(F)c(c3C(F)(F)F)N(C4)CCC4NN -MOL_01_038723,c1ccccc1-c(n(c23)nc(cn3)CC)c(n2)-c(cn4)ncc4C5(N)C=CC5 -MOL_01_038724,Cc(c1)oc(c12)nc(cc2)C(O)CSC3C=CC(C=34)=CC=C4c(ncc5)cc5CC -MOL_01_038725,NC(=O)c1ccc(nc1)-c(nc2)n(c23)c4c(CCC3)nncn4 -MOL_01_038726,FC(F)(F)c1ccc(nc1)COC(=C2)N=CC(=N3)N2N(C3=4)CNCC4NC(O)O -MOL_01_038727,c1ccccc1CC(O)Nc(c(c23)OS(=O)(=C)C3)n(c2)-c4cc(Cl)ccc4 -MOL_01_038728,CC(C)CC(=N)c1ccc(-c2ccc(Cl)nc2)n1-c(cn3)ccc3C4=CCNCC4 -MOL_01_038729,c1nc(Cl)ccc1C(=O)N(c2ccncc2)CC(C)N3CCN(CN3)c4cncc(c45)CCCO5 -MOL_01_038730,CNc(cc1)ccc1Cc2ccc(nc2)C(NC3)CCC34c5c(CCN4)scc5 -MOL_01_038731,CCC(O1)N(O)C(O)=C1c2c(ncnc3N)c3c(c4)c2cc5c4c(c56)cnc6 -MOL_01_038732,c1cc(F)ccc1-c2cc(sc2)-c(c3)c(N)nc(c34)CC(CC4N)c5ccccc5 -MOL_01_038733,c1cc(Cl)nc(c12)C(O)CN(C(=C)C2C)Cc3ccc(nc3)-c(c4C)nccn4 -MOL_01_038734,CNCCn(ncc1)c(c12)nc(-c3c(F)cccc3F)c2Cc4c(F)cccc4F -MOL_01_038735,CCc1ccc(nc1)-n2c(-c3cnc(Cl)nc3)ccc2-c(c(nc4)OCO)cc4CN -MOL_01_038736,C=12C(C1)c3c2n4c(c3N)N=CC=CC4 -MOL_01_038737,c1cc(F)cc(c12)ONC(C2)CN(NC3)CCC3n(c(C)c4)c(c45)cnc(C)c5 -MOL_01_038738,OCCN/C=N/c(ccc1)cc1C2(C(=O)N(N)C(C)N2)c3ccc(nc3)OC(F)F -MOL_01_038739,CC(O)c(c1)cnc(c12)nc(s2)-c(cc3CC)c(O)c(c34)cc(F)c(c4)N5CCNCC5 -MOL_01_038740,N#Cn1c2nc(cccc3)c3c2ccccnccs4c5c4c15 -MOL_01_038741,s1cccc1-c(ccnc2)c2C(=O)N(C3)CC(C3=4)=CC4c(c5)nc(C)cc5C -MOL_01_038742,n1ccccc1CN(CN)C(=O)N2CCN(CC2)c3ncnc(c3=4)=C5C(C4)=CCCCC5 -MOL_01_038743,OC1CCN(CC1)C(N)CCC23C(c4c2cc(N)cc4)=C(C)c5c3cc(Cl)cc5 -MOL_01_038744,c1cc(C)cc(C)c1C(C)N(Cc2cccnc2)c(nn3)ccc3C(N(C=45)C4)=C(C=N5)CN -MOL_01_038745,O1COc(c12)cc3c(c2)C(C(C)(C)CC3)C(OC4=N)c5ccc(c6c45)OCO6 -MOL_01_038746,c1cc(F)ccc1OCCCC(NN2)=CCC23c4c(NC3=O)ccnc4 -MOL_01_038747,n1ccccc1C2=C(N)C=C(C2=3)C(=O)C=C(C3)c(c4)ccc(c45)onc5 -MOL_01_038748,NCOc(cc1)ccc1C2C(=C(N)CC(C=23)=NC(C(F)(F)F)=C3)C(O)Cc4ccc(Cl)cc4 -MOL_01_038749,N=CNCCc1c(cncc1)N(CC2)CCN2C(=N3)C34C(=CC(F)=C4)Cc5ccc(Cl)cc5 -MOL_01_038750,c1ncccc1C(C(=O)C)C(CC2)N(C=23)C=CC(=N3)CCCc4c(C)nn(c4)-c5cccnc5 -MOL_01_038751,N1NCCCC1Cc(c2)cc(-c3c(F)nc(F)cn3)c(c24)ncc(O)c4-c5c(F)cccc5F -MOL_01_038752,C1CCC2=CC(=[*])c(ccc3)cc3C2c(c14)cc(N)nc4C5=CC=NCC5 -MOL_01_038753,CC(=O)c(c1=O)cn(NC)c(c12)nc(c(F)c2)C3=CC(C=C3)NNNC -MOL_01_038754,C123/C(O3)=C/C=C\C=C\C(=C)C(/CCO)=C\2c4c1cc(N)cc4 -MOL_01_038755,C1C(N)N[*]CC1n(ncc2)c(c23)nc(C)c3Nc4cc(Cl)cnc4 -MOL_01_038756,c1cccc(F)c1NC(N)C(=O)NCC(c(c23)cnc(c2)OCO3)N(CC4)CC=C4c5cnccn5 -MOL_01_038757,NCNC(=C1)C=NN(C1=c23)c4c(cccn4)N=c2cccc3 -MOL_01_038758,CC(N)c(c1)ccc(n2)c1nc(c(O)c3C)c2c4C(=O)OCc(c5c34)cccc5 -MOL_01_038759,n1cccc(c12)cccc2C(=O)CCc(cc(cn3)O)c3C(=O)c4c(cccn4)-c5cccnc5 -MOL_01_038760,CC(C)(C)C(CC1)C=C(C2)C1=C3C(=O)C(=C(C=4C=23)N=NC4)c5cc(Cl)ccc5 -MOL_01_038761,C1C=CCC1NNCC2C=CC(CC2)C3=NC=c4nnc(c5c34)=CC=N5 -MOL_01_038762,Fc1ccc(nc1)N(C=C2)CC=C2CC(=O)Cc3ccc(cn3)-c(c4C)nc(O)c(c45)cccc5 -MOL_01_038763,CCCc1c(O)c(CC)c(C)c(c12)n(Cc3ncccn3)c(n2)NC4CCNC4 -MOL_01_038764,c1cc(Cl)nc(c1C(=O)N)C(C(=O)C(=C)C)c2cncc(c23)ccc(C)c3 -MOL_01_038765,NCc1c(OC)c(OC)nc(n1)C(=CC=CN2)c(c2c34)ccn4ccc3 -MOL_01_038766,n1c(Cl)cccc1COC2=C(c3cnc(Cl)nc3)N=c(c24)c=5c(cc4)CC=CC5 -MOL_01_038767,C1C(F)=CC(C=12)=NC(=C2)C(=O)NC(C3)C(=N)N(CNO)c(c34)cccc4 -MOL_01_038768,CCNN(CC)c(cn1)ccc1-c2c(c(Cl)cnc2)N(CC3)C=CC34CNC(=O)N4 -MOL_01_038769,C1=CN(C)C=CN1Cn(c(c2c34)ncc(c2)C(C)(N)O)c3ccc(CC(F)F)c4NC(F)F -MOL_01_038770,[*]C1CCOc(c12)cc(c(c2)CC(=O)C)NC(=O)Cc3c(O)ccc(n3)-c4ccc(F)cc4 -MOL_01_038771,FC(F)(F)CNC(=C)Nc(ccc1)cc1-c(cn2)n(c23)ccc(n3)-c(nc4)ncc4OCC -MOL_01_038772,NNCCC(CN1)C=C(C1=c23)C=c2ncnc3Cc(c4)ccc(c4=5)=NC(N5)=O -MOL_01_038773,CC(=N)NNC(NC1)=CC=C1C2c(nccc3)c3COc(c24)cc(F)cc4 -MOL_01_038774,c1ccccc1CCNC(O)C/C(=C/N2)C(=C)c(cc(Cl)cn3)c3C(/C=24)=NC=C4 -MOL_01_038775,CC(N)c1c(C)nc(c12)coc(c2)-c3cc(ccc3)Nc4ccc(nc4)OC -MOL_01_038776,C1CCCCC(=C1[*])N(C)C(=O)/C(/C=C/OO2)=C/C=C/CC(C(=O)C3)S2c(c34)cc(Cl)cc4 -MOL_01_038777,c1nc(F)ccc1CC(O)Nc(cc2)cc(c2CCCC)-n(nc3C)nc(c34)c(C)nc4C -MOL_01_038778,c1ncccc1CCc2c(CCC(C)C(=O)C)cnc(c2)-n(n3[nH]n4)c(c5c34)cccc5 -MOL_01_038779,CC(C)(N)c1cn(C(=C)O)c(=O)c(c12)cc(F)c(c2)C3C(C)C(C4)=NC=C34 -MOL_01_038780,C#Cc1cn(C(C)C)c(c12)c(nnc2)C3CCN(NC3)CCc4ccccc4 -MOL_01_038781,c1ccc(N)cc1C2(C=C(C)NCC2)c3c(O)c(F)nc(c3)C4=CCOCC4 -MOL_01_038782,CN(N)C1=CCN(CC1)c(nc2)ccc2Nc(n3)ncc(c34)n5c(cccc5)c4C6C=CCC6 -MOL_01_038783,N=CNCC(=N)c1c(C)n(-c2ccccn2)nc1-c3cccnc3 -MOL_01_038784,Cc1c(N)cnc(c1c2c34)ccc(-c5ccccc5)c6cc(c(c4)cc6)cc3OC2 -MOL_01_038785,C1CC1Nc(n2)cccc2-c3cnn(c34)cc(nn4)C5=CCOCN5 -MOL_01_038786,CCc(n1)c(OC)nc(c12)nc(nc2N)C(C3)CCN4C(O)N(C5=C34)CCNCCC5 -MOL_01_038787,C1=CCC=CN1C(=N)c(nc(c23)nccc3)c(CF)c2-c4ccncn4 -MOL_01_038788,CC(C)C(=O)Cn(cc1)c(c12)nc(cn2)C(CNC3)C3c4c(F)ccc(F)c4 -MOL_01_038789,n1ccccc1C2(NCCC)/C=C/C=C\C=C\C(=O)C2Nc3ccccc3 -MOL_01_038790,c1cc(F)ccc1Cn2c(=N)c(-c3ccc(F)cc3)nc(c24)cnc(c4)OC -MOL_01_038791,N1CCN=c(c=12)n3c(c(N)ncc3)c2-c4cc(F)c(cc4)Oc5c(F)cccc5 -MOL_01_038792,C1[*]CCC(C=12)=NC(=C2)C(O)(c3cccnc3)Nc4c(Cl)ncnc4 -MOL_01_038793,n1ccccc1-c(cc2C)cc(c23)c(Cc4ccccc4)n5c3C(N)/N=C/C=C\C=C\5 -MOL_01_038794,c1cc(F)ccc1NCC(N2)CN(C(=O)CC3)C23c(cc4)cc5CCc(c6c45)cccc6 -MOL_01_038795,c1ccnc(c1C(F)(F)C)N(CC2)CCc(c23)nc(C(C)C)nc3C/C(/C=C\O4)=C/C=C\C4(C)C -MOL_01_038796,CC(=N)c1c(F)ccc(c1)-c(ccc2)cc2CCC(C=C3)=CC(=C4)N3C(=N5)C45C6CCCN6 -MOL_01_038797,CN1CC1C(=O)Nc(cc2)ccc2CNC(CCO)c3c(C)c(O)cc(n3)-c4c(F)cncn4 -MOL_01_038798,n1ccn2c(N)c(CC(F)(F)F)c(c3c12)cc(nc3)-c(ncnc4)c4CN5CCOCN5 -MOL_01_038799,N1CCCCC1NC(=O)c(cc2c34)c(=O)n4cccc3OCC2CCN -MOL_01_038800,NCc1ccc(cc1)N(C=O)C(C)C/C2=C(CCCCCN2)\c3c(C)nn(c34)cccc4 -MOL_01_038801,c1c(Cl)ccc(c12)nc(-c3ccncn3)nc2C(N)C(NC)CCCCc(c4)ccc(c45)NCC5 -MOL_01_038802,[*]NC(=O)C(CCC1)c(c12)n3c(c2CCF)ccnc3 -MOL_01_038803,Nc1ccc(C(CC)CN)c(c12)nc(C)c(c2)-c(c3CC)c(NC)cc(c3)COC -MOL_01_038804,n1cnccc1N(CC2)C=CC2C(O)COCC3=C(N)c(c4N(C3=5)C5)cc(C)c(c4)CC -MOL_01_038805,C1CCC=C2N1c(c23)cccc3Nc(n4)cnc(F)c4Nc5c(F)cncc5F -MOL_01_038806,CNc(c1)c(CN)nc(c12)ncnc2N(NNC3)CC3c4ccc(Cl)nn4 -MOL_01_038807,CCC(NC)S(=C)(C)c(cc1)cc(c1CCC)-c(c2)cc(N)n(c23)c(C)cc3CCN -MOL_01_038808,N1CCCC1n(cc(Cl)c2)c(c23)ncc3CCNc4ccnc(c45)cc(Cl)cc5 -MOL_01_038809,c1ncccc1CCC2(c3cccnc3)CC(N)C(=C(O2)N)Cc(c4CC)cc(C)nc4 -MOL_01_038810,Cc1ccc(nc1)-c(c2CN)ccc(c2)Nc(n3)cn(c34)CCC(N)N4Cc5c(N)cccc5 -MOL_01_038811,c1cccc(c12)cc=3c(=CCCC3)c2NCCCCCc4c(cccn5)c5c(C)c(n6)n4c(c67)cccc7 -MOL_01_038812,C1C=NC=C(C12)C=C(CCN)C=2Cc3ccc(cn3)-c(nccc4)c4C5=CCN=N5 -MOL_01_038813,CC1COCNN1c(cc(c23)CCC2)nc3-c4cnc(N)nc4 -MOL_01_038814,Fc1c(Cl)cc(cc1)-n2c(=O)ncc(c2c34)cnc3ccc(c4)-c5ccc(N)nn5 -MOL_01_038815,c1cc(C)nc(N)c1CC(O)C(C2c(c3C)scc3)=C(C)CC(C=24)=CC=C4 -MOL_01_038816,C#CC(=C1)N(N)C=C(N2)C1=C=C(N)n(c23)cc(c3)C(C4C#N)CCCC4 -MOL_01_038817,OCC1CCN(C=N1)c(nccn2)c2C(N3)C=C3c(cn4)nc(c45)ccc(Cl)c5 -MOL_01_038818,CC(O)c1c(Cl)nnc(c1)CCCC(O)CC(C2=O)=CN=C3N=C(C4=C23)CNNC4 -MOL_01_038819,C1NCCC1CCCCC(O2)C=C2c3nccc(c34)scc4-c5ccccn5 -MOL_01_038820,c1ccc(F)cc1CC(=O)CCC(=Nc(c2C34)cccc2)N3C(O)=C(N4)CCCO -MOL_01_038821,N#Cc1ccc(cc1)CCc2c(F)c(-c(nc3)ccc3C)nnc2N4CCN4 -MOL_01_038822,c1cc(C#N)cc2c1C(c3ccccc3)=C(c4c5cccc4)C25NCc6cc(N)ccc6 -MOL_01_038823,OC1NCc(c12)cnc(c2F)OCCCC3CCN(CC3)c4ncnc(c45)nc(F)cc5 -MOL_01_038824,c1cccc(c12)N(C(=O)C)C(C2=O)N3CNN(CN3)c4ccc(Cl)nc4 -MOL_01_038825,CCCC(O)c(c1O)c(C(F)(F)C)cc(c12)nc(Cl)c(c2)C3COCCN3 -MOL_01_038826,c1nc(C)nn(c12)ncc2-c(cc34)cc(n4)N5COC(C3)CN5 -MOL_01_038827,Cc1cc(ccn1)-c2ncc(c23)cc4n(c3)c5c(cccc5)CNC(=O)N4 -MOL_01_038828,C1C=CC1(N)c2ccc(cc2)-c(c3-c4ccccn4)cc(c35)cn(N)cc5 -MOL_01_038829,CC(F)(F)Nc(c1)ncc(c12)nc(cc2C(N)O)-c(cc3)ccc3Cc4cccnc4 -MOL_01_038830,CC(F)(F)Cc1cc(c(cc1)OC)-c(cc2C(F)(F)C)nc(n2)C(CCN)c3nnc(o3)C -MOL_01_038831,CONCC(CC)NNCc1nc(-c(cn2)cc(Cl)c2C)cn1C3CCCN3 -MOL_01_038832,CC(N)n(cc1)c(c12)cc(C(CCO)CCO)nc2NN(C3)Nc(c34)ncnc4 -MOL_01_038833,Cn1c(=O)[nH]c(c12)cc(cc2)-c(nccn3)c3C4CC(C4)c(c5)ncc(c56)cccc6 -MOL_01_038834,O=CNc(c1)ccc(c12)OCC(=O)C2 -MOL_01_038835,FC(F)(F)c1cnn(c1)-c(cccc2)c2Cc(nc3O)cc(c34)n(nc4)C5CCONC5 -MOL_01_038836,CC(F)(F)c1ccc(cc1)C(C2)=C(N)N(N(C=23)C=NC=C3C)Nc4cccnc4 -MOL_01_038837,c1cccc(c12)CC=CC2C(=N)c3nc(\c=4\c(c35)cncc5)=C\C=C/C=C\C4 -MOL_01_038838,c1ccccc1-c(c(C)c2)n(c23)nc(cc3N)-c(n4)cnc(c4C)ONC -MOL_01_038839,c1nc(Cl)ccc1-c(c(c23)nc(N)c(c2=O)N)cn4c3cccc4 -MOL_01_038840,FC(F)(F)c1cc(ccc1)C(C(=O)N2)N=C2C(=O)N3CNc(c34)nccc4 -MOL_01_038841,n1c(Cl)c(Cl)ccc1C(N)C2=CCN(NO2)c(c3)c(NC4NN4)nc(c35)cccc5 -MOL_01_038842,c1ccccc1CCCCC(=O)n(cc2)c(C)c(c23)nnc3-c4c(C)nncc4 -MOL_01_038843,C1=CC=C2C(=N)C(=c(c3=C12)nc(F)cc3)CC(=N)C(C=C4)CC=C4c5ccccc5 -MOL_01_038844,Nc1nccc(c12)nc(cc2)-c3ccc(nc3)N4CCCCC4 -MOL_01_038845,C=NN1C(NC)N(OCOC2)N2c(c3)c1cc4c3c(C)cc(c45)O5 -MOL_01_038846,NOc(c1)ncc(c1CC)CNc2nc(-c(cncc3)c3CC4C=C4)cc(c25)cccc5 -MOL_01_038847,o1cccc1N(N)Cc2cn(cn2)C(CC3C)C=C3c4cc(C)nc(c45)N5 -MOL_01_038848,c1cccc(F)c1C(=O)NC(C(F)(F)F)c2c(N)c(c(N)nc2O)-c3ccc(Cl)cc3 -MOL_01_038849,C1NNNC(C1=2)N(C(C(C)N)=C(C2)C=N)/C=N/c(cc3)nc(CC)c3-c4ccccc4 -MOL_01_038850,c1cc(F)ccc1NC(=O)NCC=2C=CC(C23)=C(NC(C)N)C(=O)c4c3cccc4 -MOL_01_038851,C1N=CC(C=12)=C3C\2=C/C(/C(=O)N)=C\N=C(\c4c(\N=N\3)cccc4)c(cc5)ccc5C6(N)C=CC6 -MOL_01_038852,CCN(N=N1)N(C(F)(F)C)C=C1OCc(c2C(F)(F)F)c(co2)-c3ccc(Cl)nc3 -MOL_01_038853,C1=CCC=C(C1C234)N3N4C=NC(=C2)Nc5ccccn5 -MOL_01_038854,NCCN(CC1)CCC1N2C(=C)N=Nc(c2c34)cnc3ccc(c4)-c5cnc(cn5)N -MOL_01_038855,COc(cc1)ccc1NNC(=O)CCCC2C(=O)CCn(c23)nc(c3)-c4nn(C)c(c45)cccc5 -MOL_01_038856,c1cccc(F)c1CCC(C(=O)CC2)C2(C)n3ncnc3-c(n4)ccc(c4C)NCC -MOL_01_038857,CC(N)C(=O)CC(C1=C23)=NC3=NN(CC2=NC1=O)CCc4cccc(c45)cccc5 -MOL_01_038858,CC(N)c1ccc(cc1)C(C=N2)=CN(C3O)C2=NC(C=34)=NN(CC)C(=C4)CC -MOL_01_038859,N1NCN(CC1=O)C(=O)Nc(nc2)n(c23)nc(cc3)C(CCC4)C4c5c(F)ccc(F)c5 -MOL_01_038860,CCOc1nccc(c12)cn(O)c2-c(c3C)cc(cc3)N4CCCCCN4 -MOL_01_038861,CC(F)(F)Cc1cccc(n1)-n(cc2)c(c2C(CCN)CNC=O)-c(cc3)ccc3C=O -MOL_01_038862,C=C1CNCc(c12)cc(cc2)NC(=O)Cc(n3)ccc(c34)nccc4C(OC5)CCC5C -MOL_01_038863,C1CNCCC1CC(=O)c2cc(ccc2)Cn(n3)cc(c(c34)ncc4)-c5cc(OC)c(cc5)OC -MOL_01_038864,n1cc(F)ccc1C(=CC(=C2)C(=O)C)N(C2=3)C=NN(C3)CCCCC4C=CCN4C -MOL_01_038865,CC(N)CC(O)CC(C1=C)=Nc(c12)nc(cc2C)-c(cc3)ccc3CN -MOL_01_038866,CCc1c(CN)ccc(c1)CC2=NN=C(C2=3)C=C(C3)c4nc(C)cc(c45)cccn5 -MOL_01_038867,NCNc(c1F)ccc(c1c2N(C3=4)N4)[nH]c2C=CN=CC=C3 -MOL_01_038868,FC(F)(F)Cc(cc1)ccc1CC(=O)c2cc(c(nc2)N(C(O3)C34)CC4)-c5cc(F)cnc5 -MOL_01_038869,N1CCCC1C(=O)Nc(c2)ccc(F)c2-c(n3)nc(c34)ncn(c4)-c(n5)cccc5N -MOL_01_038870,CNCCCOc(nc1)nc(c1c23)CC(N)Cc2c(-c4ccccc4)nc(c3)-c5cc(Cl)ccc5 -MOL_01_038871,N1=CONCN1CNCC(O)Cc(nn2)c3n2ccc4c(c5c34)cccc5 -MOL_01_038872,CNOC(=O)N1C(CC)=CN(c(c12)cccc2)N3C\C=C/C=C/C=C\C3(O)CC -MOL_01_038873,C1C=CC2=NC(\C=3\C=12)=C(O)\C4C(/C(O)=C\N=N\C3\C)C=CC(=C4)c5cccnn5 -MOL_01_038874,N#Cc1ccc(cc1)C(CCC2)c(c23)ncc(c3)S(=C)(O)Nc4cccs4 -MOL_01_038875,c1cnccc1NCCCNc(c(ON)nccc2)cnc(CN3)c2c(c4)c3nc(c45)CCC5 -MOL_01_038876,C#Cc1c(C(F)F)cc(cc1)N(C(C=O)=C(N2)NCC)C(C=23)=NNNCC3 -MOL_01_038877,C#CCC(=O)N(C=C1)Cc(c12)nc(c(n2)NC(C)N)C3CCC(CC3)Oc4c(F)nc(F)cc4 -MOL_01_038878,c1nnc(c12)n3c(c(CC(F)(F)F)c2N)cc(cn3)-c4cccnc4 -MOL_01_038879,N#Cc1c(C(F)(F)F)cc(cc1)-c(n2)cn(c23)c4c(CO3)ccc(n4)F -MOL_01_038880,OCNc(cc1)cc(C)c1Cc(ncc2)c(c3C)n2c(c34)C=CCCC4 -MOL_01_038881,CNc(cc1)ccc1Cc2ncc(c(c23)cccc3)-c(cn4)cc(c4C)C56C(C5)N6 -MOL_01_038882,Nc1nc(N)nc(c12)CC(c3c(Cl)nc(s3)Cl)CC(=C2)c4ccc(Cl)cc4 -MOL_01_038883,CC(C)(N)CC(=O)Nc(c1)c(-c(c2C)cccn2)nc(c13)cnc(c3)N -MOL_01_038884,Cc1cc(C(F)(F)F)cc(c1c(c23)n3)c2Cc4ccc(nn4)C(NN5)CC=C5CNN(C)C -MOL_01_038885,c1cc(N)nc2cnc(c3c12)CCC(O3)NC4=CCN(C=CC4)c(c5)ccc(c56)cccc6 -MOL_01_038886,C1CCCC1C(N)Nc(n2)ccc(F)c2-c(c3)nn(c34)cc(cc4)-c5cc(Cl)nnc5 -MOL_01_038887,c1cc(Cl)nc(c12)nc(C(N)(N)O)n2C(CC3)CCC3NNC(C4)Cc(c45)ccc(Cl)c5 -MOL_01_038888,CCC12C(CNC1)c3n(CNCN2)nc(c3)-c(cc4)ccc4CC -MOL_01_038889,Clc1cc(C)n(c12)ccc(c2)Cc3ccc(F)c(n3)-n(n4)nc(N)c4Cn(c5)c(c56)c6 -MOL_01_038890,c1nccc(c12)N(CC2(C)N)C(=O)CC(C=C34)=CN(C4C)CC(=C3)CCCC -MOL_01_038891,CC(O)C(=C1)C=NN(C12)C=C(c3ccc(Cl)cn3)C(=C)C=2CCCN -MOL_01_038892,c1cccn(c12)cc(c2)CCCNCCC(NN3)CCC34c5c(C4=O)ccc(Cl)c5 -MOL_01_038893,c1ncccc1C2C(C(=O)CC(C)N)=C(C)Cc(c23)ncc(c3C)Cc4ccco4 -MOL_01_038894,COc(cc1)ccc1C2(CC2)C(=O)C3C=CN(CC3)n(c(=O)o4)cc4-c5ccc(nc5)OC -MOL_01_038895,n1ccccc1CC(CN)C(=O)NC2=NC=C3C(=N)C=c(c4=C23)ccc(C)c4 -MOL_01_038896,N1=CC=C(C)C12/C=C/C(Cl)=C\C=C\CC2n(c(n3)N)c(c34)nccc4 -MOL_01_038897,n1ccccc1CC(=C2c3ccccn3)N(N)CNc(c24)nccc4 -MOL_01_038898,FC(F)(F)c1cc(N)nc(n1)-c2c(nncc2)NC(=O)c3c(C)cnc(c3)-c4c(F)cccc4F -MOL_01_038899,C1COCCC1CC(=O)Cc2cc(cnc2)-c(c3)cnc(c34)N(C(=O)N)C=CC4 -MOL_01_038900,C1=CC=C1c2nc(ccn2)C(CC3N)=CC3(c4ccc(F)cc4)c5ccc(F)nc5 -MOL_01_038901,C1C=NC(C=12)=c3c(=C(C2=O)CC(F)(F)F)cc(cc3)-c4cc(Cl)ccn4 -MOL_01_038902,c1ccnc(c12)N=C3C(\C2=[*])=C(NC(=O)N)/C=C/c4c(\N=C\3)cccc4 -MOL_01_038903,CCC(N1)C([*][*])([*][*])CN(C2)N1N=c(c=23)nc(O)cc3C(F)(F)F -MOL_01_038904,c1cccc2n(c3c12)cc4c(c5c(c4)c(N)cnc5)c3-c6cccnc6 -MOL_01_038905,c1cccc(c1CCN)-c(cc2O)nc(c23)n4c(n3)cccc4CN -MOL_01_038906,COc(c1)ncc(c12)cncc2C(C)CC(CC3)NC=C3CNc(c4)cc(c45)n(F)cnc5F -MOL_01_038907,N1NCCC=C1c(nccn2)c2C(C)N(c3ccccn3)NN4CCC=NC4 -MOL_01_038908,NCc1ccc(cn1)C(=C=C2)C23c4c(C=C3)ccnc4-c5ccc(F)cc5 -MOL_01_038909,Cc(n1)cc(N)cc1Cc(n2)c(-c(c3C)nc(o3)C)nc(c24)cc(Cl)c(c4)N -MOL_01_038910,c1nc(ON)ccc1Cc(c2)ccn(c23)nc(c3C4CCNC4)Nc5c(Cl)cccc5 -MOL_01_038911,c1cccc(c12)N(CCC2N)C(=O)C3=CCNC3Cc4c(Cl)cnc(n4)Cl -MOL_01_038912,c1nnccc1CNC(=O)N(C2C)C(C)CN(c(c23)cncc3)Nc(c4F)cncc4F -MOL_01_038913,FC(F)(F)c1ccc(nc1)-c(cc2)nc(N)c2-c(cc3)cc(c34)c(N)n5c4CCCC5 -MOL_01_038914,O=C(O)Nc(cn1)ccc1C23C(C2)CC(=S)N3Cc4cnccn4 -MOL_01_038915,CCCNCn(c1)nc(-c(cn2)ncc2C)c1C(N)Cc(c3)cnc(N)c3C(C)C4CCOCC4 -MOL_01_038916,Cc1cc(C)nc(c1)-c2c(cncn2)NC(=O)c3c(C)ccc(n3)-c4c(F)nccc4 -MOL_01_038917,C1=CNCC=C1CC(=O)c2c(F)cc(cn2)-c(cc3F)cn(c34)c(nc4)Cc(c5)ncc(c56)cccc6 -MOL_01_038918,N#Cc1ccc(cn1)CCc2ccnc(c23)C(C4=CC4)c5c(C(C3)=N)cccn5 -MOL_01_038919,Clc1ncnc(F)c1CSc(c2)nc(c23)nn(C)c(c3N)Oc4ccccc4 -MOL_01_038920,c1cccc(c1C(=O)CN)-c(cc2)cc(=C(C3=O)CC(F)(F)F)c2=C(C3=4)N=CC4 -MOL_01_038921,N=CCCC(CC)C(N)C1=C(c2c(F)nncc2)CN(CN1)c(nc3)ccc3F -MOL_01_038922,Cc1c(F)ccc(c1)NC(=O)C(C=2C)=Cc(c23)nc=4c(c3)C=C(CC)CC4 -MOL_01_038923,c1ncccc1-c(c2)ccc(c2C34C=C(N)N(N)C3O)Cc5c4cc(cc5)-c6ccccn6 -MOL_01_038924,c1cc(C(F)(F)F)cc(c12)NCC2C(=N)Nc(n3)nc(OC(F)(F)C)cc3-c4cnnnn4 -MOL_01_038925,C1CCCCC1n(cc(c2)C(C)(N)N)c(c23)nc(N)c3-c4ccc(Cl)cc4 -MOL_01_038926,c1cc(ON)ccc1CC=2N=Cc3c2cc(c(c34)=NC4O)Nc5ccccc5 -MOL_01_038927,CCC1(O)C(C)CCC(C2=C)=C1C=C3N2Cc(c34)ccc(c(O)cccc4)CN5CCOCC5 -MOL_01_038928,O1CC1CN(CN2)Cc3n2nc(O)c(c34)cc(c4)-c5c(F)nccc5 -MOL_01_038929,n1ccnc(C)c1C(=O)Cc2cc(Cl)c(cc2)N(C3=O)C(O)c(c34)ccnc4C -MOL_01_038930,CC(C)(N)CCc1cn(C(C2)CC=C2F)cc(c13)cc(c3)-c(c4)c(C)nc(c45)ncc(n5)F -MOL_01_038931,FC(F)Cc1ccc(cc1)-c(nn2)n(c23)c(ncc3)Cc(c4)cnc(c45)CNCC5 -MOL_01_038932,c1ccc(F)c(NCC=O)c1C2(C)C(C)N(CCN2)c3ccncc3 -MOL_01_038933,c1cnc(C)cc1C(CC)C(N)Nc(c(c23)nccc3)n(c2N)-c(cc4)ccc4CC -MOL_01_038934,c1cc(Cl)ccc1CC(CCC2)Cc3c=2c(O)cc(c34)=CC(=C4O)c5c(Cl)cccc5 -MOL_01_038935,NCc1ccc(cc1)N(C2)N=CC(C2=C34)C(=O)CC4=CC=C3c5c(N)cccc5 -MOL_01_038936,C1NCCC=C(C1=c23)N=c2c(ccn3)C4CCCCN4 -MOL_01_038937,O=CCc1cc(ccc1)-c(cn2)n(c23)cnc(c3)-c(cc4C)cc(n4)N -MOL_01_038938,c1cccc(c1C)C(CN2)CC=C2CCC(C3=O)=C(O)N=C4C3=Cc(c45)cccc5 -MOL_01_038939,CC(=O)c(c1=O)cn(N2CN2)c(c13)c(F)c(c(F)c3)C(C4)CC4(O)CC -MOL_01_038940,CCC(O)C(=N)CCc1c(O)cc(cc1)-c(nc(c23)nncc3)c(c2)CCC(O)OCC(F)(F)F -MOL_01_038941,CC(C)(C)c(nc1)c(c12)ncn(c2O)Cc(ccc3)c(F)c3Cn(c4N)cnc(c45)nnc5 -MOL_01_038942,CC(=O)c(c1)nnc(c12)nc(c(c2)N(C)C(C)N)-c(c3)ccc(c34)occ4 -MOL_01_038943,n1ncn(c12)c(ncc2)C(N)C(C3)CCc(c34)n(nc4)-c5c(Cl)cccc5 -MOL_01_038944,n1c(Cl)cccc1C(CC)c(c2C(=O)NC)ccc(c2)NCc3cncc(c34)[nH]c(n4)C -MOL_01_038945,FC(F)(F)c1cc(ccc1)C(N)C(=N)c2n(C)nc(c23)c(F)c(F)c(F)c3F -MOL_01_038946,n1cncc(c12)nc(nc2C)C(Cc3ccccn3)NN4CC(C)(N)Nc(c45)cc(Cl)cc5 -MOL_01_038947,CCCC(O)c1cc(ncn1)C=2C(C)=CN(N)N(C23)C=CC=C3 -MOL_01_038948,NCNC(N)CC1=CC=C(CC1)c(cc2-c3ccncc3)nn2-c4ccc(F)nc4 -MOL_01_038949,c1ccccc1C(C2=C)C(=N)CON(c3ccccn3)C(C2)c4nccnn4 -MOL_01_038950,CCCOCC1N=CCC=c(c=12)nc(N(C)C3CCCC3)nc2Cc4cccc(n4)C -MOL_01_038951,c1cc(F)cc2c(c3c12)n4c(c(c3)CC(=O)N)ccc4-c5ccc(F)cc5 -MOL_01_038952,c12c3c1n(C(C)=N)ccc3c(C4C=CC=C4)c2-c(cn5)ccc5CNc6ccccc6 -MOL_01_038953,COCCC(CCON)c1cc(C)cc(c12)n(c(c2)-c3cnccn3)CCCN4CCCCC4C -MOL_01_038954,n1cc(C)cc(C)c1Cc2nnc(o2)NNc(c3C)c(O)c(n3C)-c4ccccc4 -MOL_01_038955,c1cncc(F)c1-c(nc2O)nc(c2C)C3CC(OCC3)c4c(OC)cc(Cl)cc4 -MOL_01_038956,c1ncncc1CCC23N(O3)C(=c4c(=C2)cccc4)c(cc5)ccc5CN -MOL_01_038957,c1cnccc1N(CN2)CC2C(=O)N(c3cccnc3)Cc4c(F)cc(cc4)-c5ccn(n5)C -MOL_01_038958,C1CCNC=C1Cc(ncc2C(=O)N)n(c23)nc(c3)-c4ccc(Cl)cc4 -MOL_01_038959,Fc1cccc(F)c1-c(c2)ncn(c23)cnc3Nc(cncc4)c4C5=CC(N)CCC5 -MOL_01_038960,FC(F)(F)c1cnc(nc1)-n(c(c23)NCC3)c(c2)-c4cccnc4 -MOL_01_038961,C1=NCCc2n(c(c3c12)cccn3)CCCCCCN4N=CNCN4 -MOL_01_038962,C1NCC(C)C=C1Cc2ccc(cc2)Nc(cc3C)cn3-c4nccc(c45)nc(OC)c(c5)NC -MOL_01_038963,n1ncccc1CCNc2ncnn(c23)nc(-c4ccccc4)c3-c5ccccc5 -MOL_01_038964,N1=CC1c(c2N)nc(c23)ccn(c3)NC(=O)c4ncc(cn4)-c5ccc(F)cc5 -MOL_01_038965,c1nc(F)ccc1CC(=N)CC(=CC2)CN=C2C(=O)c(c3NCCC)oc(c34)ccnc4 -MOL_01_038966,c1cccc(c1[*])C(=[*])c(c(c2)O)c(C=O)c(c23)C(=O)CC([*]3)(C)O -MOL_01_038967,FC(F)(F)c1c(N)ccc(n1)-c2ccc(C)n(c23)c(=O)c(cc3)CC4CC=NC4 -MOL_01_038968,n1ccccc1NC(NCCC)(c2cccc3)C(N)Cc(c4c23)cccc4 -MOL_01_038969,FC(F)(F)c1ccc(cc1)CN(c(c23)cccc2)C(N)CCC3c4ccccn4 -MOL_01_038970,CC(F)(F)c1cc(F)c(nn1)NC(CCC2)=C2NC(C)c3c(ccc(F)c3)-c4ncccn4 -MOL_01_038971,Cc1cc(ncc1)-c2ccc(nn2)N(C3CC)C(=C34)CC(CC/C=C\4)Nc5ccncn5 -MOL_01_038972,C1=CCCCC=C1CC(=N)Cc2c(cn(C(C)=N)c2C)-c3ccc(F)cn3 -MOL_01_038973,c1nc(F)ccc1CC(N)CNc2cc(-c3ccncc3)nc(c4)n2c(c45)cccc5 -MOL_01_038974,c1ccnc(Cl)c1CC(=N)NCCc(c2O)c(-c3cccnc3)cc(c24)cnc(n4)C(C)O -MOL_01_038975,N1=CC(C(F)(F)F)=CC(N1C=23)=S3C(C=N)=C(C2)N -MOL_01_038976,Cc1cncc(n1)N(CC2)CCN2C(=O)c3c(F)ccc(c3)CC(C=NC4=O)=C(C4=5)CCCC5 -MOL_01_038977,N1CC1Cc2cc(cc(nc3)C(=O)CC)n3c(c24)cccscn4 -MOL_01_038978,CC(=O)C1C=CN(CC1)C(C)c2ccc(nc2)-c(nc3)cn(c34)c(cn4)-c5ccc(N)cc5 -MOL_01_038979,CC(O)N1C=CN(C=C1)C2=C(C(C3)c4ccncn4)N2C35CCCCC5 -MOL_01_038980,c1ccccc1C2(C(=O)NC)C(CC)=NC(C2=O)C(C)(C)c3cc(Cl)cc(Cl)c3 -MOL_01_038981,CCC1(O)C(C)(C(=C)N)CCc(c12)ncc(c2)OCc3ccc(cc3)OC(F)(F)F -MOL_01_038982,c1cnccc1CC(=O)c(c2)cnc(-c3ncc(Cl)nn3)c2-c4c(Cl)cc(Cl)cc4 -MOL_01_038983,CCCc(c1)c(OCN)cc(c12)ncnc2Nc(cnc3)cc3-c4c(N)nccn4 -MOL_01_038984,c1ccc(C)c(c12)ncn(c2=O)C(=O)C3=CN=C(C(C)C3)c4cc(N)ccc4 -MOL_01_038985,c1ncc(ON)cc1CCC(=N)C(C(C)N)Cc(o2)nc3c2c(c34)cc(Cl)cc4 -MOL_01_038986,c1cccc(CNC(=O)N)c1Cc2nc(ncn2)-c(c3-c4ccc(F)cc4)n(cc3)C5=CCCCC5 -MOL_01_038987,c1cccc(c12)c(O)ncc2C(=O)NC(C3)C3CN(CC4)CCC4Cc5c(Cl)c(C)c(Cl)nc5 -MOL_01_038988,N1OCC(C)NC1(C(F)F)c(c(F)cc2)cc2Cc3nccn(c34)nc(n4)C -MOL_01_038989,Cc(n1)nnc(c1CO)-c2cc(C3CCONN3)nc(n2)C4CCCCC4 -MOL_01_038990,c1ccnc(Cl)c1CC(N)C(=O)C2CCC(CC2)c3ccnc(c34)cccc4 -MOL_01_038991,c1ncncc1Cc(n2)c(NCNCCCC)nc(c3-c4ccc(F)cn4)c2cc(c35)cccc5 -MOL_01_038992,CCc(nc1)cc(c12)cc(C(C)N)nc2CCc(c3)ncc(c3c45)CC(=N)c4ncc(F)c5 -MOL_01_038993,n1ccnc(c1C(C)(C)N)-c(c2)cn(c23)c(ccc3)NC(O)Nc(nc4)ccc4CC(F)(F)F -MOL_01_038994,CC(C)(C1)CCn(c12)cc(c2C=N)N3CCN=C3Nc4ccccc4 -MOL_01_038995,OCC(C1)(N)Oc(c12)nccc2-c3ccc(cn3)N(C)C -MOL_01_038996,Fc1nccc(F)c1COC(=N)Cc2c(C)onc2-c3c(F)ccnc3N -MOL_01_038997,c1ncccc1C(=O)Cc2c(N)cnc3c(c4c23)ccc(c4)ON -MOL_01_038998,CONCCc1ccc(nc1)-n(n2)cc(c3)c2cc(c34)OC5C4=CNN5 -MOL_01_038999,CCC(N)n1cnc(c12)nc(O)c(c2N)-c3cc(ccc3)Nc4ccccc4 -MOL_01_039000,CC(C)(N)c1cc(no1)CC(=O)N(CCN2)CC(C2C(C345)=N5)=C3CCCC4 -MOL_01_039001,NC1COC=CN1c(cc2)ccc2-c(c3=C)ncc(c3=4)N=NC4c5ccc(Cl)cc5 -MOL_01_039002,CC(F)(F)c1cnc(c(n1)Cl)C(N)Cc(c2)ccc(F)c2C3(C)C(F)(F)COC(=C3)N -MOL_01_039003,FC(F)Cc1ccc(cc1)-c2nc(-c3cncnc3)n(c24)CCCCC4 -MOL_01_039004,CC(=O)Nc1c(F)cc(nc1)N(N)C(=O)NCc2c(nc(CC)cc2)C3CCCCN3 -MOL_01_039005,NCCc1ccc(nc1)CC(=O)Cc2ccc(cc2)-c(cc(c34)cccn4)nc3C5=CCOC=C5 -MOL_01_039006,CC(C)(C)CCc1nccc(c12)cnc(c2)Cc3c(OC)nc(cc3)-c(c4C)nn(n4)C -MOL_01_039007,C1=CC=CN(C12)N(Cl)C=C(C=2[*])C(CC(=C)CN)c3c(Cl)nncc3 -MOL_01_039008,c1ccccc1C(O)C(N=C2)Cc(c23)nc(C)n4n(cc3)cc(ON)c(c4)OC -MOL_01_039009,c1cc(F)cc(F)c1C(=O)Nc(c(cc2)ON)cc2-c(c3)cnc(c34)nc(C)nc4N -MOL_01_039010,NC(=O)C1C=CN(C1)c(c2)nc(C3CCOCC3)n(c24)c(cc4)-c5ccccc5 -MOL_01_039011,n1ccccc1C2(CC=N)C(=CC=C(O2)OC)Cc3ccc(C)nc3 -MOL_01_039012,c1cc(F)cc(F)c1Nc(c(c23)ccn(c3)C(=O)N)nc2-c4ccc(F)cc4 -MOL_01_039013,C12=CCC(CC2)C(CO)=C1C(=O)Cc(cn3)ncc3C(=O)Nc4ccnc(c45)ccnn5 -MOL_01_039014,N1COCC=C1NCCc2nc(-c3ccccc3)nc(c24)cc(c(n4)Cl)N(CC5)CCN5C -MOL_01_039015,c1ncnc(c12)CC(C2C(=C)CC(C)(C)N)C3=CN3c4c(Cl)ccc(Cl)c4 -MOL_01_039016,CC(=O)NCC12C3=c4c(ccc(c4)NNCC)=C=CC3=CC=C1OCCC=C2 -MOL_01_039017,c1ccccc1NC(=N)n(c(c2[*])-c3ccco3)cc2-c4c(O)cccc4 -MOL_01_039018,OC(O)c(c1)cnc(c1C(F)(F)F)C(CC2)CC(=C23)N4N(C=CC=N4)OCCCC3 -MOL_01_039019,CCC(=O)C1CCCn(c12)c(nn2)-c3cc(ON)c(cc3)-n(c4)ccc4C -MOL_01_039020,C1C=NC=CC1C(=N/N)\c2ccc(cn2)CC3=C(Cc4ccccn4)C(=N)c(c35)nccc5 -MOL_01_039021,CC(F)(F)c1cc(ncc1)-c(cc2)c(c23)nc(NOCCN)n4c3cccc4 -MOL_01_039022,OC/C=C/Nc1ncnc(c12)cc(c(c2)CN)CCCOC -MOL_01_039023,n1cnc(NN)n(c12)ncc2C3=CN(CC(C3)CC)Nc(cc4)ccc4-c5ccccn5 -MOL_01_039024,C1CCCC(C=12)=C(C=NC2=O)Cc3cc(ccc3)N4C(N)C=CC=C(C4=5)N=CC5 -MOL_01_039025,CCCc1ccc(cn1)-n(c(CN)cc2F)c3c2nc(O)c(c34)ccc4 -MOL_01_039026,c1cccc(c12)oc(c2)C(O)Nc(cn3)ccc3C4N=NC(C=45)=CCCCC5 -MOL_01_039027,c1ccccc1C23C(O3)=C(C(=C)C2)C(=O)Cc4ccc(cc4)C5=CCCNC5 -MOL_01_039028,CCc1cnc(cn1)-c(c2)c(n(c23)cccc3)-c4cccc(n4)N(C)C -MOL_01_039029,C1=COCC=C1C(O2)=CC(=C)c(c23)ncc(c3C)NNCC4=CC=CCC4 -MOL_01_039030,Nc1c(C)n(CC)c(c12)nc(nc2C)-c3c(Cl)cccc3 -MOL_01_039031,c1ccccc1C(=O)c2ccc(nc2)CC(N=C3)=CC34c5c(CC4N)ccc(Cl)c5 -MOL_01_039032,c1cc(F)cc(F)c1-c(n2)sc(c23)c(C(=C)N)ccc3NC4CNCNC4 -MOL_01_039033,c1cnccc1C2=NC(C)CCN2C(=O)Cn(c3=O)ccc4n3cc(c45)cnc(C)c5 -MOL_01_039034,n1nc(Cl)ccc1-c(o2)ncc2-c3nncn3-c4ccc(cc4)N5CCNCN5 -MOL_01_039035,c1cccc(c1NC(F)(F)F)NC2CN(NC2)c3ncnc(c34)nc(CC)c(c4)NC -MOL_01_039036,c1ccnc(c12)N(C=N)C(NN)CC2(N)c3ccc(Cl)cc3 -MOL_01_039037,CC1CCCN(C)N1C(C)c2ccc(cn2)Nn(c3)ccc3-c4cc(N)nn4N -MOL_01_039038,n1cnccc1-c(c2CN)ccc(c3N)c2c(C4CC4)c(c35)C=NC5=O -MOL_01_039039,c1cc(F)cc(F)c1Cc2cc(F)nc(c23)Cc4c(c(N)ccn4)N=C3N -MOL_01_039040,c1ccccc1-c(cc2)n(c23)ccnc3N(CC4)N=CN4c5cnccn5 -MOL_01_039041,O=C1CCCc(cncn2)c2C13CC(=C)N(C3)CNc4ncccn4 -MOL_01_039042,c1cc(N)ccc1-c(n2)c(nc(c23)nccc3)C4CC(C4)c(c5)ccc(c56)nncc6 -MOL_01_039043,CCC(=O)c1ccc(nn1)CN(C(=O)C2)C(O)C2(NC)c3ccc(Cl)cc3 -MOL_01_039044,C=C(C)COc(n1)ncc(c1C)-c(nc(C)nc2)c2-c(nc3)cc(OC)c3CC -MOL_01_039045,c1cc(F)ccc1NC(=O)Cc(nc2)ccc2CNc3nc(N(C)C)nc(c34)ncc(C)c4 -MOL_01_039046,CC(N)c1ccc(cc1)C(O)NCCc2c(-c3cc(N)ccc3)c(Cl)nc(c2O)CC4CCC4 -MOL_01_039047,c1cc(ON)ccc1-c(n(c2)C(=O)N)c(c23)nc(C)c4c3cc(nc4)OC -MOL_01_039048,c1ccccc1NCCCC(=O)c(c2)ncc(c23)nc4c(c3=O)cn(C(C)C)cc4 -MOL_01_039049,FC(F)(F)c1cc(ccc1)NC(N)CN(CC2)CC=C2c(nc(c34)cnc3)n5c4cccc5 -MOL_01_039050,c1ccnc(c12)N=C(C(=N)CC)C2C3=NC3c4cc(F)c(F)cc4 -MOL_01_039051,CC(=C1)C=C(C12)C=C(c(cn3)ccc3C)C=2/C=N/Nc(sn4)cc4-c5ccc(nc5)OC -MOL_01_039052,C1CC=CC=C1C2(c(cc3)ccc3C)CC(N)(N)c4ccnc5cccc2c45 -MOL_01_039053,CC(=C1)C=CC(C12)CN(C=C2)C(=O)c3ccc(cc3)-c(cn4)cc5n4c(c56)n6 -MOL_01_039054,c1ccccc1CC(Cc2ccccn2)c(c3C(C)N)nnc(c3)-c4c(CN)nc(C)nc4C -MOL_01_039055,FC(F)(F)Oc(nc1)ccc1C(=C(CN)N2O)N(O)c(c23)cc(Cl)c(Cl)c3 -MOL_01_039056,c1cccc(C2)c1NC(=C)C2(CN3)CCC34C(=N4)c(cn5)ccc5CC -MOL_01_039057,FCOCc1c(C(O)CC)nc(cc1O)-c(c2)c(C)nc(c23)cccc3 -MOL_01_039058,c1ccnc(c1=2)=CC(C2)CNCN(C3=N)C(=O)N(C34)Nc5c(N4)cccc5 -MOL_01_039059,CCc(nc1)ccc1CONc2c(C(=O)CN)ncn(c23)c(cc3)CC(Cl)c4cccnc4 -MOL_01_039060,c1cc(F)ccc1C(C)NCCCNC(C2)CCCC=C2n(c(n3)C)c(c34)nccc4 -MOL_01_039061,c1cccc(N)c1C(=C(C=23)C=CC2N)c4c(OC3O)cnc(Cl)c4 -MOL_01_039062,c1cncc(c12)nc(C(CC3)CC=C3C(N)O)c(=N)n2C(CC4)CCC4/C5=C/CNCCNC5 -MOL_01_039063,[*]=C1CC(N)CCC2=CSC3=CC=C(C=4C123)C=C(C4)c5cccnc5 -MOL_01_039064,c1ccccc1CC(C2=O)=C(NCCN(C)N)N=C3N=C(C4=C23)CNCCC4 -MOL_01_039065,N1CCNC1n(cnn2)c2CN3N(CN4)CC(O)(CC34)c5ccc(F)cc5 -MOL_01_039066,OC12C(C1)=Cc3c2c([*])c(cn3)CC(=O)CCC(=C)Cc4cc(F)c(C)cc4 -MOL_01_039067,FC1=NN(C1)c2cccc(N)c2-c3c(F)cc(nc3)Oc4cccn(c45)ncc5 -MOL_01_039068,COc(n1)cccc1-c2ccc(C(=C)N)c(c23)cn4c3cc(cc4)C(=O)C5CCN(N)CC5 -MOL_01_039069,CCCCC(C)(O)Nc(cccc1)c1-c(ncc2)c(c23)nn4c3cccc4 -MOL_01_039070,c1cc(C)c(Cl)cc1C(=O)Cc2cc(ncc2)C(C)Cc3ncnc(c34)c(C(=O)N)ccc4 -MOL_01_039071,CC(=O)C1=CCCc(c12)cc(cn2)-c(ccc3)cc3C4=CCCN4C(=O)C -MOL_01_039072,NCc1cc(ccc1)-c(cn(c23)ccn3)cc2Cc4cc(ccc4)C5=C(N)COC5 -MOL_01_039073,c1ccccc1NCc(nn2)n(c23)cnc(c3)-c(c4CN)c(C)nc(c4)N -MOL_01_039074,c1cncc(c1C)-c(cc2)nc(c2C)C(C)Nc(ccnc3)c3C4CNNNN4 -MOL_01_039075,C1=CCC[*]=C1C(=N)c(c2)nc(c23)ccn(c3O)Cc4c(Cl)ncnc4 -MOL_01_039076,c1cc(Cl)ccc1C(C(=N)C/C2=C\O)N2/C(N=C\C=C/C3)=N/c(c34)ccnc4 -MOL_01_039077,c1ccc(C(F)(F)F)c(Cl)c1C(=O)C(C2C)CCN(N23)N(C=N3)c4ncccn4 -MOL_01_039078,c1ccnc(c12)c(ccc2)OCC(=O)C(C3c(c4C)cccc4)C=C(C3(C)C)c5ccnnc5 -MOL_01_039079,c1ccccc1C(C)(O)C(NC2=CCCN2)c(c3Cl)sc(c34)cccc4 -MOL_01_039080,CC(F)(F)Oc(cc1)cc(/C2)c1C(/[H])=C\C(\C(=O)C)=c(/c=23)ccnc3NC4CCCNC4 -MOL_01_039081,c1c(F)c(F)cc(Cl)c1C(=O)N(CC2)Nc(c23)ncnc3-c4ccccc4 -MOL_01_039082,C1CC1NC(C)Cc2ccnc(c23)CC(CO3)c(c4)cn(c45)ccc(c5)-c(ccn6)cc6C -MOL_01_039083,N1NCCC1CCCc2ccc(cc2)-c(cc(c34)cnn(C)c4=O)nc3NCCC -MOL_01_039084,CC(C)CCCNc(c(F)c1)cc(c12)nc(nc2C)CC3C(=O)Cc(c34)nccc4 -MOL_01_039085,c1cnnc(c12)C(NC2)C(=N)CSCc3c(C)oc(n3)-c(c4)ccc(CN)c4CC -MOL_01_039086,Cc1ccc(o1)-c2cc(NC=N)nc(n2)-n3cccc3C -MOL_01_039087,CCOC(=O)C1=C(C)C(CNCC([*])C)=C(N)CC1c2c(Cl)cc(Cl)nc2 -MOL_01_039088,CCNC(=O)Cc(cn1)cn(cc2)c1c(c2c34)c3cn(CO)c(F)c4C -MOL_01_039089,CCCNCCOc(cn1)ccc1-c2cc(n(c23)c(N)ncc3)-c4cc(Cl)ccc4 -MOL_01_039090,c1ccccc1CNC(=O)C2CCC(NC2)n(c3C)nc(c34)OC(N)=CC4 -MOL_01_039091,n1cnccc1Nc(cn2)c(F)cc2-c3ncn(c34)cnc(c4)NC(C=C5)CC=C5N -MOL_01_039092,CC(=N)n1ccnc1-c(cc(c23)occc3)c2Nc4ccnc(n4)Cl -MOL_01_039093,c1cc(F)ccc1-c(n2)c(c(=[*])n(c23)cccn3)CC(N)c4cccnc4 -MOL_01_039094,FC(F)(F)c(c1)c(C)cc(c12)NCC2C(=O)Cc(c3)cnc(c3C(F)(F)F)OCON(C)C -MOL_01_039095,[*]1CCc(c12)n3c(c2)c(=O)n(cc3CC)CC(=O)N(CC4)CC=C4C(=O)N -MOL_01_039096,[*]C(O)c1ccc(nc1)C(N)Cn(c(c2C)NC(=O)N)c(c23)cccc3 -MOL_01_039097,c1ncccc1NC(=O)Nc(ncn2)c(c23)=NC(=C)C=3c4ccccc4 -MOL_01_039098,c1ccccc1-c(nc2)n(c23)cccc3C4CCC(NC4)c5cc(N)c(Cl)cc5 -MOL_01_039099,n1c(Cl)cccc1-n(c2)cc(c2CCC3CCN3)C4C=CN(CC4)c5ncnc(N)c5NC -MOL_01_039100,CCCCN[*]C1N(C(C)C)CN=C2C1=Cc(c23)cccn3 -MOL_01_039101,C1CNC(C(=O)C)c(c2)ncc(c12)-c(n3)cccc3C(=O)N(C)CCOC -MOL_01_039102,c1cc(Cl)cc(Cl)c1NC(=C)NCCN(NC2)CC(=C3CN4)N2Cc(nc4c35)nc5 -MOL_01_039103,C1CNCCC1CC(=O)C2c(cc(nn3)NC(=O)OCC)c3NCc(c24)cccc4 -MOL_01_039104,C1NCCCN1C(=N)c2ccc(s2)CN(C(=O)C3C)c(c34)ccc(F)c4 -MOL_01_039105,c1ncnc(C)c1CC(=O)C(C2)CCc(c23)nc(-c(cc4)ccc4C)cc3OC(C)N -MOL_01_039106,Cc1nccc2c(C)cc3NCC(=O)C\C=C\c(c4c3c12)cncn4 -MOL_01_039107,c1cncc(c12)CNC(=C2)Cc(c3N)c(C)cc(c34)nc(cc4C)-c5ccccn5 -MOL_01_039108,n1ccccc1C(c2cccnn2)C(CN3)CC=C3c(ccc4)c(c45)cn6c5cc(F)cc6 -MOL_01_039109,C1=2C(N2)CCC(=C1)C(=O)Cn(c3=O)ccc4n3c(NCC)c(c45)cccc5 -MOL_01_039110,C1CCC=CC1c(c2)cc(CN)c(c2c34)ccn4c(C)nc3-c(c5C)nccc5 -MOL_01_039111,CC(N)(N)NCC(=O)CC1N(C=CC=C2)N2N=C(C=13)C(CC3)Nc4ccccc4 -MOL_01_039112,C1COC(C(=O)N)C=C1CC(=C(O)C=C2)N3N2OC(=C34)CCCC4 -MOL_01_039113,c1cccc(F)c1C(N)Cc(cc2)cn(c23)nc(c3)-c4ccc(F)cc4 -MOL_01_039114,C1=CC(=O)C=C1C(N)Cc2cc(-c(nc3)cn(c34)c(N)cc4)nc(c25)nccc5 -MOL_01_039115,c1nnccc1CCCC(=N)C(N)(N2)Oc(c23)cccc3-c4cccnn4 -MOL_01_039116,c1cccc(c12)nc(nc2)\C=C\c3cc(ncn3)C(N4C5)=Cc(c6C4=5)c(C(C)N)cc(F)c6 -MOL_01_039117,CCC(C)OCCNc(c1)c(C(=O)NC)cc2NCOc(c3c12)ccc(C(F)(F)F)c3 -MOL_01_039118,c1c(Cl)ccc(c12)n(c(n2)N)CCCN(CC)CN(C3)CNc(c34)nc(F)cc4 -MOL_01_039119,COC(=N)c1ccc(cc1)CC(=O)CC(CN2)=CC3=C2c(c34)cncc4Cl -MOL_01_039120,c1ccc(C(C)O)c(c12)NCC3=C2C/C(N)=N\C=C/N3c4ccc(cc4)OC -MOL_01_039121,NCc1c(CC)nc(cc1)-c2ccn(n2)C(=N)Nc3cn(nn3)Nc4ccc(F)cc4 -MOL_01_039122,FC(F)(F)c1c(F)c(ccc1)-c2csc(n2)CC(=N)c3ccc(nc3)Cc4ccnc(n4)C -MOL_01_039123,CCC(=O)NCc(ccc1)cc1CC(c(c23)nc(nc2)NCCCC)=COC(=C3)c4c(N)cccc4 -MOL_01_039124,CC(C)N(CC1)C(CC1C)NC(=O)NC2=NC(=C(C2=3)NCCCC3)c4ccc(cc4)OC -MOL_01_039125,CCN(OC)CNCc1ccc(cc1)C(CCC2)C(C2=C34)=NC3=C(C)C(=N)C(C)=C4O -MOL_01_039126,CCNC(=O)CNc(cccc1)c1C(C(C2=O)c3cccc(n3)Cl)Cc(c24)cncc4 -MOL_01_039127,n1ccccc1-c(ccc(c2)N)c2C(=O)N(CC)C(C)Cn(nn3)cc3-c4ccc(F)nc4 -MOL_01_039128,C1N=CC=CC1Cc(nc2)ccc2C(=O)NCC3(C=CNCC3)c(n4)scc4-c5ccccc5 -MOL_01_039129,c1cc(Cl)ccc1-n2c(C#N)nc(c23)ccnc3Nc(c4N)ncnc4 -MOL_01_039130,NCc1ccc(cn1)C(=N2)C=C(c3ccccc3)Cc(c24)nc(OC)nc4N -MOL_01_039131,c1ccccc1CC(=C2C)C(=O)C=C(C2=3)N=C(C3O)Nc4c(Cl)cc(F)cc4 -MOL_01_039132,C#Cc1cc(ccn1)-c2cnn(c23)cncc3C(CCC4)C=C4c5ccncc5 -MOL_01_039133,O=C1CC(C)(O)Oc(c12)ccc(c2)CCC(=O)NCCC3CNCc(c34)cccc4 -MOL_01_039134,CCC1=CCN(C=C1)c(ccc2)n(c23)c(cn3)-c4ccc(cn4)ON -MOL_01_039135,NNC(=O)c(c1O)ccc(c12)cc(nc2)CC3CCC(NC3)c4ccc(cc4)NC -MOL_01_039136,CN(C)c(n1)nc(C)nc1Cc2c(-c3c[nH][nH]3)nnc(c2F)-c(cn4)ccc4C -MOL_01_039137,CC(O)CCCCCCCOC1N(CC)N=CN(C=12)C(=CC(=C2)N)Nc3c(Cl)cncc3Cl -MOL_01_039138,n1occc1Cc2cnn(c23)c(NC4=CCCC4)nc(n3)-c5c(F)cncc5 -MOL_01_039139,c1cccc(F)c1CCNC(CN)C(O)C(=C2C)N=C(C2=3)N=C(C3)c4ccccc4 -MOL_01_039140,c1cccc(NC(=C)C)c1-c(c2[*])c(C)nc(=N)n2-c3cccnc3 -MOL_01_039141,CN(C)CCCCc1nc(C(F)(F)F)cc(c12)n(cn2)CN3CNCO3 -MOL_01_039142,c1ccccc1COc(c2C3CNCN3)c(F)c(cc2)-c4ccc(cn4)N -MOL_01_039143,CC(F)(F)c(c1)c(OC)cc(c12)CC=C2C(=O)Nc(cc(F)c3)cc3-c4cccnc4 -MOL_01_039144,CCc1ccc(cc1)-c(cc2C=N)c(nc2)-c3ccc(cc3)OC -MOL_01_039145,CNC(=O)c1c(cccc1)Cc2c(Cl)nnc(n2)Cc(c(n3)OC)nc(c34)CCC/C=C(\C)CC4 -MOL_01_039146,Cc(n1)cccc1CC(=O)CCC2N=CC(C=23)=NC=C3c4ccc(N)nc4 -MOL_01_039147,c1cc(F)cc(F)c1OCC(O)Cn(c(c23)cncc3)c(N)c2Cc4ccccc4 -MOL_01_039148,c1ccnc(Cl)c1C(c2cc(Cl)ccc2)NCc3ccn4n(c5c34)c(CC)nc5 -MOL_01_039149,c1cccc(c12)CCCC2C(=N)Cc(c3O)cnc(c34)n(nn4)Cc5ccc(Cl)cc5 -MOL_01_039150,NCCCCNCCCNC(=O)c1ccc(n1C)-c2c(Cl)sc(c2)NCN -MOL_01_039151,[*]1COc(c12)nc(C(=O)N)c3c2c4c(c(CC)c(C)cc4)cc3C(C)N -MOL_01_039152,n1cccn(c12)ccc2C(=O)NN(C=C(C3=4)N4)C(=C3)c5ccccn5 -MOL_01_039153,n1ccccc1Oc(cc2)c(cc2C)N(C3=C)/C=C(N)\CCNc(c34)nccn4 -MOL_01_039154,CCCCN(N(N)C(O)CO)CC(=C1)C=C(O)N(C(=C)/C=N\2)N1Oc(c23)cc(C)cc3 -MOL_01_039155,c1noc(C)c1C(=O)Cc2c(F)cc(cc2)N(C3N)C=Nc(c34)ccnc4F -MOL_01_039156,c1cnc(\c2c13)=N/C(C)c4cccc(n4)C(=N)OC(=c\3ncc2)/c5ccccc5 -MOL_01_039157,OCCOC(NO)c1ccc(c12)n(C)cc(n2)CCc3ccc(N(C)O)nc3 -MOL_01_039158,CCn1c(C)nc(c1C)-c(nc2)ccc2C3=CCC=NC3 -MOL_01_039159,c1cccc(c12)nccc2NCCCN(CC3)CCC3c4ccnc(c45)nc(Cl)cc5 -MOL_01_039160,N1NCCCC1Cc(c(c2)N)nc(c23)CC(Cc4ncccn4)N(C)C=C3c5ccccc5 -MOL_01_039161,CC(=O)n(c1)cc(c1C(C)O)-c2cc(ncc2)-c(cc3C(F)(F)F)c(cc3)OC(F)(F)C -MOL_01_039162,c1cnnc(c12)N(C(C)C2)C(=O)CC3C=CN(NN3)Cc4cc(Cl)nc(n4)Cl -MOL_01_039163,FC(F)Cc1c(C)ncc(c1)-c(nc2C3CC3)cc(n2)C(CC4)NC=C4CCCC -MOL_01_039164,c1ccccc1C2NC[*]C2c(ccn3)cc3C(C(CC)C(=O)CC)c4cncnn4 -MOL_01_039165,NCCc1ccc(cc1)CC(=C2CCN(C)C)N=c(c3)c2cc(=N4)c3C(=N)C(C4=5)NC5 -MOL_01_039166,C1CNCC=C1CCCCc(nc2)ccc2CC34C(C(C3)N)=CC=C5N4C=C(C=C5)OC -MOL_01_039167,CC(N)(N)c1ccc(nc1)-c(n2)n(cc2NC(C)C)-c(n3)cccc3C -MOL_01_039168,c1ccccc1CCc2c(CN)c(c(F)c(c23)nc(C)nc3C)OCc4ccccc4 -MOL_01_039169,C1CCNC=C1CCc2ncnc(c23)C=C(C3O)Nc4c(NCOC)nccc4 -MOL_01_039170,O=C(O)c1cc(ncc1)-n(n2)c(nc2C(=O)C)-c3ccc(cc3)-c4c(Cl)nc(Cl)cc4 -MOL_01_039171,NOC(=O)c1c(cccn1)-n(c2)ccc3c2c(CC(F)(F)F)c(O)c(c34)ncn4 -MOL_01_039172,Cn(n1)cnc1CC2=CC(CC=C2)c3ncnc(c34)nc(cc4)N5CCOCC5 -MOL_01_039173,C1NCCCN1c2cnc(c(c23)nccc3)C(N)C4CCN(CC4)c5ccc(F)cc5 -MOL_01_039174,CC(N)OC(C)(N)CNc1cn(-c2ccccc2)nc(c13)cc(c3)-c4cc(F)ccn4 -MOL_01_039175,N1CCCCN1CCCCCCc(n2c(c3)nccc2)c4nc(c5c34)ccnc5 -MOL_01_039176,C1C=CC=CN1CC(C(=O)N)C(c2ccncc2)c(c3N)c(N)nc(c34)cccc4 -MOL_01_039177,Cc1ccc(cc1)Nc2cc(C)c(C(=O)N)c(cn3)c2c(/C4)c3C(/[H])=C\C=C(/C=45)CN=C5 -MOL_01_039178,CCc(n1)c(NC)nc(c12)nc(nc2C)-c(n3)cccc3CN(C)Nc4ccncn4 -MOL_01_039179,Cc1ccc(nc1)C(=C2CCCO)C(C2=N)c3ccc(F)nn3 -MOL_01_039180,C=NCN(CC1)C(N2)Cc(ccc(c3)OC=O)c3C12c4ccncc4 -MOL_01_039181,C1C=C1CC(C2=O)=C(c3cccs3)Cc(c24)cccc4 -MOL_01_039182,CC(O)CCCN(C(=N1)C)C(c(c12)nc(Cl)cc2)c3nccnn3 -MOL_01_039183,N#CCC1=NCC(=CC1)c2c(c3cc(c24)O4)c5c(nc3)nc(F)c(c5)-c6cccnc6 -MOL_01_039184,NCCOc(c1)ccc(c2)c1nc(c23)nc([nH]3)-c(c4)cnc(c45)N=C5 -MOL_01_039185,CC(N)c1nccc(c12)c(c(nc2)N(C)OCC)C3CCOCN3 -MOL_01_039186,Cc1ccnc(n1)N(CC2)C=C(CCC(C3)N)C23c4c(F)cc(F)cn4 -MOL_01_039187,Cn1c(N)cc(C)c1/C(=C\O)C2C=CC(CN2)Nc(c3)cnc(Cl)c3Cl -MOL_01_039188,COC1COC(=C12)CC(C2)Oc(c(c3)CC)cc(c34)cnnc4Nc(cc5)nc(Cl)c5Cl -MOL_01_039189,CCC1[*]CC(CC1)c(n2)n(C)c(c23)cncc3NC4=CCCC4 -MOL_01_039190,c1cccc(=C2)c1=CC23N4n5c(OCC4)nc(NNC3O)ccccc5 -MOL_01_039191,CC(C1)CC(C)C=C1CCCCC(=O)NC(C2=O)=CC=C3C2=Cc(c34)cn(C)c4 -MOL_01_039192,c1c(F)nnc(c1F)NC(=O)NC(=C2c3ccncc3)N=CN(C2=4)C=CN(C4)C(C)C -MOL_01_039193,Cc1cc(Cl)c(c(n1)Cl)NC(=O)n(cc2)cc(c23)c(cc3C)NC4CCCCN4 -MOL_01_039194,CC(C)C(F)(F)C(F)(F)C(N)CC(NC(=C)O)Nc(c1)ccc(c1c23)c2ncnc3Cl -MOL_01_039195,CCC1N=CN(c(ncc2)cc2C(=N)O)C(C=13)=C3CNCCO -MOL_01_039196,NC(=O)c1ccc(cn1)-c(cc2)cc(c23)C(CC(CC)=C3C(C)O)Cc4ccccn4 -MOL_01_039197,CC(C)(C)c1ccc(cn1)C(N)N(CC2)CCC2CC(O)(Cn3cncn3)c4c(F)nc(F)cc4 -MOL_01_039198,CC(N)c(cc1)cc(c12)sc(c2)-c(cccc3)c3-c(c4)cc(c45)cn(C(N)N)cc5 -MOL_01_039199,c1nc(Cl)ccc1-c(c2)c(-c3c(Cl)ccnc3)cc(N4)c2C(=O)CC45CC=NCC5 -MOL_01_039200,NCN1N=CC=CN1c(c2C)c(-c(nc3)ccc3C)cc(c24)cccc4 -MOL_01_039201,CCCC(O)Nc(nnc1)cc1Cc(c(F)c2C)nc(c2F)Nc(ccc3)cc3C(N)N -MOL_01_039202,c1cnccc1C(=O)C2CCC(CC2)Cc(n(c34)cc(nc3)C5CC5)c(n4)-c6ccc(Cl)nc6 -MOL_01_039203,c1c(Cl)cnc(CC)c1C(=N)Cn(c2=O)c(C)nc(c23)nccn3 -MOL_01_039204,O=C(O)c(c1=O)cn(C(N)N)c(c12)cc(nc2)C3=CC(C)CC(C)C3 -MOL_01_039205,COc1cc(N)c2C(=O)CC(C)/C=C/CC(O)CCCCOCCCNC(=O)C\C=C\3c1c23 -MOL_01_039206,C1CCCCC1NCCC(=O)c(n2)ccc(c23)ONC(=C3O)Cc4ccc(cc4)OC -MOL_01_039207,c1cc(F)c(N)cc1CC(=C2)c(cccc3)c3C(=O)C24C(=N4)C -MOL_01_039208,CC1(C)OC(CO1)CC2=C(Cc(cc3)cc(c23)C=O)c4cc(ncc4)Nc5c(F)cc(F)cc5 -MOL_01_039209,CC(C)C(C)CCCNC(=N)C1=CCC(NC1)n(n2)c(N)cc2-c3c(Cl)c(Cl)ncc3 -MOL_01_039210,c1cc(C)ccc1C(=O)C([*][*])CCN([*])c2ncnc(c23)scc3 -MOL_01_039211,CC(O)c1ccc(nc1)-c(c2)c(C(=O)C)c(N)c(c23)cccc3CC(C)O -MOL_01_039212,CCC(=O)Nc1cccc(c12)c3n(C2=O)c(nn3)-c4ccc(cc4)OC -MOL_01_039213,CCC(=O)Nc(cccn1)c1-c2ccc(cc2)NC3CCN(C3)c(c(F)cn4)nc4C(C)N -MOL_01_039214,Cc1ccc(cc1)NC(=C)CN(C2=C)C=Cc(c23)n(nc3)-c(ccn4)cc4CN -MOL_01_039215,Cc1nccn(c12)c(N(C3)C=C3CN(C)C)nc2-c4ccc(cc4)Nc5ccncc5 -MOL_01_039216,FC(F)(F)Cc1ccc(cc1)CC2=C(CN(Cl)C2=N)c3c(OC)ccnc3OC -MOL_01_039217,c1ccccc1C2CCCN(C2)C(=O)c(c3)cn(c34)ccnc4N(CC5)CCC5C -MOL_01_039218,c1cccc(F)c1-c(cn2)ncc2CCN(CN3)CCC34CC(=O)C(C4)c5ccccn5 -MOL_01_039219,n1cc(F)ccc1Cc(n2c(n3)ccnc2)c(c3c45)cc4cccc5 -MOL_01_039220,c1ccccc1C(=N)Cc2c(cccc2)-c(cc3)n(c3c45)c4cncn5 -MOL_01_039221,c1nc(F)ccc1C(CNC)NC(=O)Nc(c2F)cnn(c23)c(cc3)OCC -MOL_01_039222,CC(C)C(=N)N(N=C1)CC=C1c(cc2)cc3C(C(F)(F)F)(C)c(c4c23)cncc4 -MOL_01_039223,c1cccc(c1CN)C(=C2)C(CC(=O)C)C(=C)C(CCC(C)C)c(c23)ncc(F)c3 -MOL_01_039224,n1cccc(Cl)c1CC(=N)CN(CC2)CCC2Nc(n3)nccc3OC45C(=C4)C=6C(=CC6)C=C5C -MOL_01_039225,CCN(C=N)CCNC1c(ncc(Cl)c2)c2N(C)C=c(c=13)ccnc3 -MOL_01_039226,C1CC(N)CC1c2nn(c(c23)cccc3)C(O)(O)c4cccc(c45)ccnc5 -MOL_01_039227,Cc1cncc(n1)NC(=O)c(c2)c(C)c(c(c23)CCNC3=O)-c(nn4)ccc4C -MOL_01_039228,CN(C)CCCC(C1)CCC([*]12)NC(C2)C(=C)N(CCCCl)c(cc3N(N)O)cc(c34)cccc4 -MOL_01_039229,NCc1ccc(cc1)C(C2)=NC(C=23)=C(C=C3)c4ccc(nc4)S(=O)(=O)c5ccccn5 -MOL_01_039230,COCNc1cc(C(=O)O)c(=O)n(c12)nc(cc2)Cc3c(Cl)cc(N)cc3 -MOL_01_039231,c1cncc(c1c23)C(C)(C(C)(C)O)c2cc(cc3)-c4cc(N)c(cc4)N(C)CN -MOL_01_039232,NCc1cc(ncc1)-c(cccc2)c2C3=CN(C3)c(c4)ncc(c45)cccc5 -MOL_01_039233,C1CCCC1CCC(N)c2nc(S)n(c23)c4c(c(C)c3)nccn4 -MOL_01_039234,CC(O)c1cc(ccc1)-c(c2)c(cn(c23)c(C)cn3)-c(ccc4)cc4C(C)O -MOL_01_039235,CCCCCc(n1)ncc(-c(n2)sc(c23)cccc3)c1CC4=C(C)C(O)C(C4)CN -MOL_01_039236,c1ccnc(c1C(/C=23)O3)N(C(O)NC/N2)NNc4c(Cl)cc(Cl)nc4 -MOL_01_039237,c1c(N)c(C)cc2n1nc(c2c3c45)c3ncc4c6c5n(nn6)-c7c(Cl)cccc7 -MOL_01_039238,NN1C=C(C)N(C2CN2)C(N)=C1C(=O)CCn3ccnc3-c4cccc(C)c4C -MOL_01_039239,N1NC(O)C(C)(CC)c(c2)c1c(O)c3[nH]c(c4c23)cc5c6c(OCC6)ccc5c4 -MOL_01_039240,Fc1nccc(F)c1CN(NC2)CCC2n(cn3)c(c34)ccc(F)c4 -MOL_01_039241,n1ccccc1CC(=O)COc(c2C)ccc(c2N(C3=4)N4)C(=C3)CCN -MOL_01_039242,c1cnccc1C(=CC2)C(c3ccccc3)=C(C2=c45)SC=c4cncc5 -MOL_01_039243,c1nc(N)cc(Cl)c1C(=O)C(C2)c(cccc3)c3C(O)n(c24)ccc4 -MOL_01_039244,c1cc(F)ccc1C(N=C2)CC=C2C(=O)CNc3ncn(c34)ccc(n4)C5=CCC(C)C=C5 -MOL_01_039245,c1ccccc1C(=C)NC(C2=O)C(N2Cl)c(c3)c(Cl)nc(c34)ccnc4 -MOL_01_039246,C=Cc1cccc(c12)cccc2-c(c3-c4cccnc4)[nH]ccccnc3 -MOL_01_039247,c1ccccc1C(O)NC(=N2)C=CN(C2=3)C(C)=C(C(N3)=C)Cc4c(F)c(C)ncc4 -MOL_01_039248,Cc1c(C)cncc1NC(O)NCCc(nc2C)c(O)c(c23)cn(c3C)-c4ccccc4 -MOL_01_039249,CC(F)(F)c1nc(cc(n1)Cl)C2C=NN(C2O)c(cncn3)c3C4CC4 -MOL_01_039250,c1ccc(Cl)cc1C(=O)CC2=C(N(CO3)OC=C23)Cc4cccnc4 -MOL_01_039251,c1cccc2nn(c3c12)c4c(cnnc4)cc3-c5ccccc5 -MOL_01_039252,c1ccccc1Cc(n(c2C#N)CCN)c(c23)nc4c(c3)cnnc4 -MOL_01_039253,CCOC(=O)C1=C(C)CC(/C1O)=C\c2c(C)n(c(n2)C)-c(c3C(F)(F)F)cccc3 -MOL_01_039254,C123C(=N2)C4=C1/C=C/C=C5\C(=CCC(=C5)CN)\C=C6\C(=C/N3CC4)\C7=C(CC6)NC=CC7 -MOL_01_039255,CCCCCC(=O)Cc(cc1)nc2C(C)c(c3c12)nc(cn3)CCO -MOL_01_039256,c1ncccc1C2/C(=N\C=O)N(C(=O)C2=O)c3ccccc3 -MOL_01_039257,c1cc(F)c(Cl)cc1C(=O)CC=2NCN(C23)Cc4c(O3)nccc4 -MOL_01_039258,CNCCC1CCC(CC1)Cc2c(C(C)=N)cnc(c23)ccc(n3)-c(cc4F)cc(F)c4N -MOL_01_039259,NC1=CCN(CN1)CCCC#Cc2cnn(c23)c(cnc3)-c4cc(ccc4)NCN -MOL_01_039260,CNC(=O)c1c(cc(F)cc1)C(N)Nc(c(N)nc2)cc2-c3c(OC)cccn3 -MOL_01_039261,c1ccccc1NC([*])c2c(N)ccc(n2)-c(cn3)ncc3/C(=C/O)N(NC)CNC(C)C -MOL_01_039262,CCC(=O)NCc1cc(oc1)-c2c(C)ncnc2Nc(cc3)cc(Cl)c3OCc4ccccn4 -MOL_01_039263,CN(C)OCCC(=O)c(ccc1)c(c1c23)nc(c2cccc3)-c4ccccc4 -MOL_01_039264,c1cnc(CC)cc1CCc(nc(c2)NOCCN)n(c23)cc(n3)-c4cccnn4 -MOL_01_039265,C#Cc1ccc(cc1)N2C=CCC(/C2=N\C3=C45)CCCN(C=C5)C(N)=C4CO3 -MOL_01_039266,s1cccc1CCCC(=C)c(cc2)cc(C(C3=O)N)c2S(C)c(c34)cncc4 -MOL_01_039267,c1cccc(c12)N(C)N(CC2(O)O)C(O)CCCc(c3)c(N)nc(c34)ccc(c4)CC -MOL_01_039268,O=CCC/C(=C(N1)\C=C2)/N=C\NN(C)Cc(n3)c(C)nc(c3c4C=12)ccc4 -MOL_01_039269,c1ncccc1/C=C(\C(=O)CC)CN2C(C(C2=C)NC)c(c3C(F)(F)F)cccc3 -MOL_01_039270,s1cccc1C(=C)NC23C(=CC=C3)c4c2ccnc4 -MOL_01_039271,c1ccc(Cl)c(Cl)c1CC(N)C(N)Nn(c2)ccc(c23)nc(c3)-c(c4CC)ccnc4 -MOL_01_039272,c1cccc(c1C)Nc(csn2)c2CC(C(=N3)C4)C(C)(C)C=c5cncc3c=45 -MOL_01_039273,CC(=O)Nc(cc1)ccc1C(=C2C)CC(c(cn3)ccc3C(C)O)=Nc(c24)cccc4 -MOL_01_039274,n1cccnc1-c2c(O)c(-c3cc(F)cc(F)c3)nc(c24)ccc(c4)N5CCN(N)CC5 -MOL_01_039275,n1nccc(OCC)c1C(=N)C2=CCNC(C2C)Nc(cc3)nc(c34)cccc4 -MOL_01_039276,c1nc(C)nc(c12)cccc2CCCN(CC3)CC=C3Cc4cc(ncc4)N5CCC(C)CC5=O -MOL_01_039277,C=C(N)Cc(c1)c(=O)cc(c12)n(C3C[*]CCN3)cc(c2)-c4ccccc4 -MOL_01_039278,C1NCCN1C(N)c(n(c23)CCCC3)cc2C(O)NCCC -MOL_01_039279,CCc1c(OC)ccc(c1)-c(nc2)cc(c23)cc(-c(ncc4)cc4CN)nc3C(C5C)CCOC5 -MOL_01_039280,CC(=C1)CC=C1C(C)Cc2cc(cc(c23)nccc3)-c4cnc(nn4)N5CCNNC5 -MOL_01_039281,C1CNCCC1CC(N)c2cc(c(cc2)CCCC)C(=CC3=O)N=C(C3=4)C(C)=NC4N -MOL_01_039282,c1ccccc1-c2cc(C(O)CCN)n(c23)c(O)c(nc3)Nc4ccccc4 -MOL_01_039283,C1CCCCC1Cc2cc(nc(c23)cnc(F)c3)-c(nc4)ccc4CN5CCNCN5 -MOL_01_039284,N=C(O)NCCOc(cc1)nc(c12)OC(CO2)c(ccc3)cc3-c(c4C(F)(F)F)nccc4 -MOL_01_039285,C1CCCC=C1c(n2)nc(nc2C)C(=C3N)N=c(c34)nc5c(n4)=NCCC5 -MOL_01_039286,Nc1nccc(c12)nc(c(Cl)c2)NC(=O)C3NCC=C3c(ccn4)cc4CC -MOL_01_039287,n1ncccc1CCc(c2)ccc(c23)N(CC)c4c(C(C)C3=O)nccc4 -MOL_01_039288,c1cccc(c12)cc(cc2O)C(=O)CCCCNCNCCN(C(C=34)=CCC=C4)c5c(C3)ncnc5 -MOL_01_039289,c1cccc(OCC)c1-n(n2)ccc2CN3CCN(CN3)c4cc(C)nc(c45)cccc5 -MOL_01_039290,CNC(=O)c1c(F)ncc(c1)CCNCCN2CCN(NC2)c3nccc(c34)scc4 -MOL_01_039291,C=CCCC(C(=N1)Cl)=CN(C12F)C(\CN)=C(CO/C=C\2)\C3=CCCCC3 -MOL_01_039292,C1CCCC1CCCS(=O)(F)N2C=CN(N=C2C)c(ccn3)nc3CNCc4ccc(F)cc4 -MOL_01_039293,n1cccnc1C(=O)CCCC(C)(C2=O)c(c23)cc(cc3)Cc4nc(cccc5)c5n(c46)cnc6 -MOL_01_039294,c1cccc(c1c23)C(C(F)(F)F)(N)c2cc(cc3CC)-n(cn4)cc4NC(C)C -MOL_01_039295,c1cc(Cl)ccc1CN(CC)CCC2CCCN(C2=C34)C(=O)C3=NC(=N4)C -MOL_01_039296,CC(C)CCNn1n(-c(c2C)cc(o2)C)nc(c1c34)cc3cccc4 -MOL_01_039297,N/1=C\C=C(\[H])C(\[H])=C(/N)\N=C\2C1=Cc(c23)c(ccc3)-c4cccc(c45)nccc5 -MOL_01_039298,c1cnc(cc1Cl)N(C2)NCC(C2[*])CCCCc(nn3)c(N)c(c3c45)cnc4cccc5 -MOL_01_039299,c1ccnc(F)c1-c(cc2)n(c23)cc(cc3)-c4c(nccc4)N(CC5N)COC5 -MOL_01_039300,C1CSC(=C12)C(O)c3c(C2=O)nccc3 -MOL_01_039301,CON(C1)C(CC)=CN(C=12)C(=CC=N2)Nc(cc3)ccc3NC(=C4)CCC5C4=C6C(C567)=C7 -MOL_01_039302,C1CC=CC(OCC2)C1=C(C2=c34)/C=C/C(/C(O)NC)=C\C=c\4cc(N)cc3CCC -MOL_01_039303,N1CCCC=C1NC(=O)Nc(cc2)ccc2-c(c(c3)CC)n(c34)c(C)nnn4 -MOL_01_039304,C1CNCCC1CC(N)Cc(nc(c2)-c3c(N)nccc3)cc2-c(c4)c(Cl)cc(c45)ccc(F)c5 -MOL_01_039305,CC(C)c(cn1)ccc1C(=O)CNC(=O)C23CC4=CC(=N3)CC(C2)N4 -MOL_01_039306,c1cc(Cl)c(Cl)cc1C(=O)Cc2cc(ccc2)-c(cn3)n(c34)ccnc4N -MOL_01_039307,C1OCCC(=C12)CCCC2(C)c(ccc3)nc(OC)c(NN)cc(c34)nccc4 -MOL_01_039308,CN(N)CCC(C1=N)C(N)c2cc(nc3cccc1c23)-c(c4)ccc(c45)cccc5 -MOL_01_039309,O=c1n(C)cnc(c12)cc(-c(cn3)ccc3C(C)N)cc2CC4CCCC4 -MOL_01_039310,N1=CC1c2cc(C(F)(C)C)cc(c23)c(O)nc(c3)C4=CNN(CC4)C(=O)NC(C)C -MOL_01_039311,c1ccc(C2(C#N)CN2)cc1Cc(n3)nc(-c(ccn4)cc4C(F)(F)N)cc3CC(C5)CC5(F)F -MOL_01_039312,C1CCCCN1c(cc(c23)CCC2)nc3-c4cnc(N)nc4 -MOL_01_039313,c1cc(Cl)ccc1C2=NC2C(=O)C3CCC(CC3)c4ncnc(c45)COC5C -MOL_01_039314,FC(F)(F)c1cc(ccc1)NC(=N)Cc(c(N)c(c23)cncc3)nc2-c4ccc(Cl)nn4 -MOL_01_039315,c1cccc(c12)CCC(CC2)Cc3c(C(N=C4N)ON4C)cc(cn3)-c(ccc5)cc5CN -MOL_01_039316,CCCOc1ccc(nc1)-c2ccccc(cco2)C3=NNCOC=C3CC -MOL_01_039317,CCCCNc(c(c1)NC)cc(c12)ccnc2CC3=CC(=O)C(=NC3=N)N4CN4C -MOL_01_039318,N1C=Nc(c=12)cc=3c(OCNCC3)c2C(C)NCOc4ccccc4 -MOL_01_039319,NCc(c12)ncc(c1)NCOc3cccc(n3)CC(=C(\C)C2O)/c4ccccc4 -MOL_01_039320,CC(F)(F)c(c1)cccc[nH]c(=O)c(c12)cnc(C)c2NC(O)c3nnnc(c34)cccc4 -MOL_01_039321,C1CCCC1c2n(C(=O)N(C)C)cc(c23)ccc(c3)Cc4cnc(cn4)N(C5)CCCC5O -MOL_01_039322,c1cccc(c12)CCN(C(=O)CC)C2C(O)Nc3c(F)ccnc3F -MOL_01_039323,c1ccnc(S(=[*])(=C)CCN)c1-c(cn2)nc(F)c2-c3cnc(cn3)N -MOL_01_039324,CCCC(=O)N1C=CN(C=C1)C(O2)C23C(=C)C=c4c(=N3)c5c(cc4)cccc5 -MOL_01_039325,N=CCNC(=O)N(N1)C=Cc(c1c(c23)COC(C)C3)cc2-c4ccccc4 -MOL_01_039326,NCCc1c(NCC)cc(cc1)C(=N2)C=C(c3cccnn3)Cc(c24)ncc(C)c4 -MOL_01_039327,CCc1c(C)nc(nc1)NN(C)C2=CC2Nc(c3)c(OC)nc(c34)n5c(c4)cccc5 -MOL_01_039328,c1ccccc1NCNCC(=O)n(cc2)c(N)c(c23)ncc3-c4ccc(nc4)ON -MOL_01_039329,Cc1c(=O)nc(O)n(c1)C2CCN(C2)Cc3cncc4Cc(c5c34)cccc5 -MOL_01_039330,n1cc(Cl)ccc1CC(=C)C(Nc(c23)cnnc2)C(C3)C(=O)OCc4ccccc4 -MOL_01_039331,n1ccc(F)c(F)c1-c(c(C(F)(F)F)c2[*])c(CC=O)cc2NNCC -MOL_01_039332,CC(N)Cc(n1)ncn(c12)ccc2-c3cc(ncc3)-c(cc4)ccc4C(C)N -MOL_01_039333,NC(=O)c1c(C)nc(C)c(c1)-c(cc2)cc(CC3)c2C34CCC(C5=NO5)CC4 -MOL_01_039334,c1cc(F)ccc1NC(=C(C)C2=O)N=C(C2=3)C=C(C3)c4c(N)nccc4 -MOL_01_039335,c1cccc(c12)n3c(n2)ccccccnc3-c4c(N)nccccncc4 -MOL_01_039336,n1ncccc1C(C2=O)NC(O2)CCNCNc(nc3)ccc3-c4c(F)cccn4 -MOL_01_039337,CCC(NN)NCCc(ccn1nn2)c3c(=O)c(c4c2c13)cnc(n4)C -MOL_01_039338,c1ccccc1CN(CC2)CC=C2CC(N)c(cc3)cc(c34)nc(C)c(c4N)-c5ccc(N)cc5 -MOL_01_039339,n1c(Cl)cccc1C(CO)NC(=N)c2c(F)cc(cc2)-c3c(N)ncc(c3)C4CC=CCCC4 -MOL_01_039340,NC(=O)/C(/C1)=C(\[H])C(\[H])=C/C=N\C(/C=12)=CC(=C2)c(c3C)sc(n3)CC(C)Cc4ccncc4 -MOL_01_039341,CCCC(O)C1=C/C(N=C12)=C/CCc3c(nc(C)nc3)c4c(C2)cccc4 -MOL_01_039342,Cc1c(Cl)c(F)ccc1OCCNCN(C2=O)CCc(c23)c(O)c(cc3)-c4cnn(C)c4 -MOL_01_039343,CCc1cnc(cn1)N(C2)N(N)C=C2N(C)Cc3c(nccc3)C4CCCC4 -MOL_01_039344,c1cccn(NC2CN2)cnc(\C(Cl)=C/3)c1\C=C/C(CC4=N)=C3C45CCNC5 -MOL_01_039345,C12N(C1)C(=N)CC=C2c(cn3)nc(c34)oc(n4)Nc5ccccc5 -MOL_01_039346,c1cc(Cl)nc(c12)nccc2C3=CCN(NC3)c(ncn4)cc4Nc(nc5)ccc5F -MOL_01_039347,OC1=CCC(CC1)C2C(=O)C(C)=c(c=23)ccc4c3nc(cc4)-c(cc5)ccc5C -MOL_01_039348,CC(F)(F)c1cnc(NC)c(n1)-c(c2CCO)cc(c(c2)NC)CCCCO -MOL_01_039349,c1cccc(c12)CNCC2C(=O)c3ccc(o3)-c4cncc(n4)F -MOL_01_039350,N1CCCCC1Cc(nc(C(F)(F)F)c2C)nc2-c(cc3)cc(c34)OONC4 -MOL_01_039351,CCCC(C)c(n1)n(c(c12)nncc2)CC(CN3)CC=C3c4ccccc4 -MOL_01_039352,C1CC(N)Nc(c12)nc(cc2)CCNCCC(CC3)CC=C3c4cccc(c45)ccnc5F -MOL_01_039353,CCCC(=O)c1ccc(cc1)N(C(=O)\C2=C\NC)C(=C)N(N23)C=CC=C3 -MOL_01_039354,COc(cc1)cc(c1CC)NCC(=N)C(C2)=CC(C=23)=C(N=C3C)c(c4)ccc(OC)c4CC -MOL_01_039355,c1cccc(F)c1C(=O)Nc(n(c23)cncc3)c(c2)-c4cnccn4 -MOL_01_039356,FC(F)(F)C(N)CC(O)c1c(cccn1)-c(nn2)nc(F)c2-c(cn3)ncc3C -MOL_01_039357,CC(N)c1ccc(cc1)CC(O)NOc(n2)ccc(c2c34)NCCC(=O)c3cccc4 -MOL_01_039358,Oc1[nH]cc(c12)cc(nc2)NC(=O)Cc(c3)ccc(c34)nccc4C5=CCC(C)CC5 -MOL_01_039359,c1cncc(c1C(N)O)CC(=C)CCc(c(c2)N)c(C)n(c23)cc(c3)-c4cc(F)ccc4 -MOL_01_039360,OC(O)Cc1nc(ccn1)N2C(N)C(CC2=N)c3ccc(F)cc3 -MOL_01_039361,c1cc(Cl)cc(c12)nc(O)c(-c(n3)nc(C)cc3C)c2NC4=CNN(C)CN4 -MOL_01_039362,C1N(N)CCCC1c(ncnc2)c2Cc3ncnc(c34)ccc(c4)-c5c(F)cncc5 -MOL_01_039363,CC(C)(O)CNCCCCc1nc(-c2c(O)ccc(n2)F)nc(c13)cc(OC)c(c3)CC -MOL_01_039364,CC1Oc(c(c12)C(F)(F)F)c(cc2)NC(=O)C(C)(O)COc(nc3)cc(Cl)c3F -MOL_01_039365,CC1CCN(NN1)c2c(cc(Cl)nc3)c3cc4n2c(=O)cc(c45)cc(Cl)nc5Cl -MOL_01_039366,O=Cc1ccc(cc1)C=2C(C3)=NNC(NC)C3=c(c24)ccc(C)c4 -MOL_01_039367,Cc(c1)c(N)c([*])n(c12)cc(c2)C(NC=CC3)C3C(=O)c4c(C)cccc4 -MOL_01_039368,NCc1ccc(nc1)-c(cc2NC(=O)C)cc(c23)n(cc3)-c(cc4)cc(Cl)c4F -MOL_01_039369,CCCCc(cc1)cc([*]N2N)c1C(=C3)C23CC(=O)c4c(C=C)cccc4 -MOL_01_039370,FC(F)(F)c1c(Cl)cnc(c1)NC(=O)Cc2ccc(nc2)-c(ccc3)cc3C(=O)NN -MOL_01_039371,FC(F)(F)c1cc(F)nc(n1)CNC(N)CCCN(CC2)CCC23c4c(cccn4)CC(C)N3 -MOL_01_039372,CCCNC(=O)c1ccc(cc1)CC(c2ccccn2)c(c3N)ccc(c34)cccn4 -MOL_01_039373,c12c3cc(C(N)O)cc2CCC=C1C(=N)N3C -MOL_01_039374,CCc(c1)c(CC)cc(c12)nc(C3=CCNCCN3)nc2NC4=CCN(C)CC4 -MOL_01_039375,n1c(F)ccc(CC(C)N)c1C(C(=O)CF)Nc(c2CC)cc(cc2)OC -MOL_01_039376,n1ccccc1-c(c2C(=O)OC)cc(cc2)CCc3ccnn3Cc4ccc(Cl)nc4 -MOL_01_039377,c1ccnc(c12)ccc(n2)CC=3C=CC(C34)=CNC(C4=N)c5ccccc5 -MOL_01_039378,c1nccc(c12)cnc(OCC)c2C(=O)C3C(CCN3C)CCOc4ccccn4 -MOL_01_039379,N#CC1=CC=C(CN1)c2nc(C)cn(c23)cc(c3)-c(cc4)ccc4C(F)(F)C -MOL_01_039380,CC(=O)Cc1c(F)cc(cn1)C(C)C(=O)NCc(ccc2C(F)(F)C)c(n2)-c3cnc(Cl)nc3 -MOL_01_039381,n1ccccc1CC(N)C(C2)Cc(c23)nccc3-c(nccc4)c4Cc5ccccc5 -MOL_01_039382,Cc(c1)nc(C)c(c12)n(C)c(C)c2-c(c3C)c(N)cc(C)c3 -MOL_01_039383,NCCCN(C1)Cc(c12)nc(C)nc2-c3c(F)cccc3 -MOL_01_039384,Cc1c(=O)cc(n(C)c1O)C2C=CN(CC2)NC3N=C3Oc4ccccn4 -MOL_01_039385,NC1=NOC=CC=C1C(C)N(C2)CCc(c23)nc(nc3)N(CC4)CC=C4c5ccncc5 -MOL_01_039386,O1CCCC1C2[*]N(CN2)C(=O)N(NC3)CCC3c(cc4C)nc(c4)N -MOL_01_039387,c1cccc(c1C(=O)N)CCC(=O)C2CCC(CC2)Oc(c3C(F)(F)F)cccc3 -MOL_01_039388,c1cc(CN)ccc1C(C)(N)c2cc(cs2)-c(c3)cnc(c34)ccnc4 -MOL_01_039389,C1=[*]C1C(C2)=NC(C=23)=NCC(C3)CCc4cc(ncn4)-c5cc(F)c(cc5)ON -MOL_01_039390,c1ccnc(NC(=O)C)c1-c(ccc2)c(c23)oc(cc3=N)C4=CCCCC4 -MOL_01_039391,CCc1c(ON)ccc(c1)NC(O)CCCc(nc2C)c(C)c(c23)cn(c3C)-c4cccnc4 -MOL_01_039392,c1ncccc1CCCNc2nc(N(CCC3)c(c34)cncc4)nc(n2)N5CCOC=C5NOCC -MOL_01_039393,CN(N)CC(=N1)N=C2c(ccc(c3)C(C)N)c3C12c(cc4C)ccc4 -MOL_01_039394,CC1=CNC(N)CN1c(ccnc2)c2Nc3ncn(c34)cnc(n4)-c5c(F)cncc5F -MOL_01_039395,c1cc(Cl)nc(Cl)c1Cc(c2)nn(c23)c(cc(n3)N)Nc4c(F)cc(Cl)nc4 -MOL_01_039396,n1cccc(C=C2)c1C(c(c23)cncc3)C(N)CCc4cccnc4 -MOL_01_039397,COc(c1)cnc(c12)cccc2NC(=O)C3(C)C=CC(CC3)CCc(n4)cnc(c45)SCCN5 -MOL_01_039398,c1cc(N)nc(C)c1C(O)N(Cc2ccccn2)c(nc3)ccc3-c4c(NCC)cccc4 -MOL_01_039399,n1ccc(F)cc1C(=O)C2CCN(NC2)C(N)n(cc3)nc(c34)ncc4 -MOL_01_039400,c1cccc(N)c1-c(c2C)c(C)nc(c23)c(O)ccc3 -MOL_01_039401,CCC(=N)CCCCN(c(c12)nccc1)C(O)N(CC)N=C2c3ccncc3 -MOL_01_039402,n1ccccc1-c(cc2)ccc2C(=N)C(C3)CCn(c34)c(nn4)-c5ccccc5 -MOL_01_039403,o1cccc1C(O)Cn(c(c23)ccnc3)c(N)c2Cc4ccc(Cl)cc4 -MOL_01_039404,CC(=O)Cc(cc1)ccc1C(=O)CCC2N=CC(C=23)=NC=C3c4cc(OC)ncc4 -MOL_01_039405,c1ccccc1C(=C2)C(=C)N(CCCN)c(c23)nc(nc3)Cc4ccccc4 -MOL_01_039406,c1cccc(c12)n(C(=O)CCC(F)(F)F)cc2C(N)c3cc(C)ccc3 -MOL_01_039407,Clc1c(N)ncc(c1)NC(=O)C(c2cccnc2)C3C\N=C\C=C/C=C/C3=N\[H] -MOL_01_039408,CNCC(O)n(nc1)c(c12)c(ccc2)Cc3cc(ncc3)-c4c(F)ccc(n4)F -MOL_01_039409,CCCCNc1cc(C)nc(c12)NCC(C2)Cc3ccnc(c34)cccc4 -MOL_01_039410,c1ccccc1C(C)c(n2)c(-c(nc3)ccc3CN)nc(c24)nccc4 -MOL_01_039411,n1ccccc1C2=C(C(=O)C)C(C(=O)NNCC)Cc(c23)cccc3 -MOL_01_039412,c1nc(Cl)nc(Cl)c1C(C)c(n2CO)nc(NC)c2Cc3ccc(cc3)OC -MOL_01_039413,C=CCC1=C(N=N2)SCC(O)Nc(cc3)c(F)cc3N(C\C=C\12)C(O)c4c(F)cncc4 -MOL_01_039414,c1cccc(c1CC)-c(c2O)cnc(cc3N)c2c(c34)ccc(c4O)-c(c5CN)cccc5 -MOL_01_039415,C1CCCC1c(c(O)cc2N)c(c23)nc(nc3)Cc4ccc(cn4)N5CC=CNCC5 -MOL_01_039416,N1CCCC1CCNCN(CC2)CCC2c3ncnc(c34)scc4-c5cccnn5 -MOL_01_039417,C1COCCN1c(n(c23)ncc2)nc(n3)C(CC4)Cc(c45)nccc5 -MOL_01_039418,NCc1ccc(nc1)C(NC(C=23)N3)=CC2c4ccc(N)c(c45)cccc5 -MOL_01_039419,FC(F)(F)c1cc(ccc1)CC(C)NC2C(=O)C=c(c=23)cc(cn3)S4=CO4 -MOL_01_039420,c1ccc(NC)cc1-c2cccc(N3C=COCC3N)nc(ncn2)-c4cccnc4 -MOL_01_039421,c1ccccc1OC(c2ccccn2)NC(O)N(CC)CCCCc3c(C)nn(c34)cncc4 -MOL_01_039422,c1c(N)ccc(c12)N(C(=O)C)Cc3c(NC2)ccc(n3)-c4cc(ccc4)NSC -MOL_01_039423,CCc1ccc(cn1)-c(n2)n(C=O)cc2-c3cccnc3 -MOL_01_039424,C1NCCCC1CCSc(n2)nnc(c23)n4c(cccc4)c3CNNC -MOL_01_039425,[*]=C(O1)NCC12C(CCC)/N=N/C=C\c3c(CC2)cc(OC)c(n3)CC -MOL_01_039426,CC(=O)Nc(cc1)ccc1C(C)C(=C(C=C)CC2)c(n3)n2c(c34)cccc4 -MOL_01_039427,CCCN1C=CC(=N)CC12N3N(C=CC=C3NC)CCN(NN2)CN4CN4 -MOL_01_039428,CCc1c(NC)cc(nc1)-n(n2)nc(c23)ncc(Cl)c3NCC4CCN(C)CC4 -MOL_01_039429,CC(N)c(c1)ccc(c12)nc(c(c2O)-c(c3C)cccc3)CCNCNCC -MOL_01_039430,c1ncc(O)cc1-c2cc(C3CCOCC3)cc(c2)NC4=CCC(O)CC4 -MOL_01_039431,C1CNC=CN1c(nc2)ccc2Cc(c3)ccc(c34)n5c(cncc5)c4N6CCCC6 -MOL_01_039432,C1NCCCC1C(=N)c2ccc(cn2)NC(=O)n(n3)c(N(C)N)cc3C -MOL_01_039433,C=C(N)C(C1)CCn(c12)c(CC3CC3)nc2-n4cccnnncc4 -MOL_01_039434,CNc(s1)nc(N)c1-c2c(F)ccc(n2)Nc3cc(ccc3)N4CCCCC4 -MOL_01_039435,c1ncccc1NC(C(=O)N2CCN(C)CN2)Cc3ccnc(c34)cc(Cl)cc4 -MOL_01_039436,C12=CC=CSC(=N2)CC=C1C([*]3)=C=Nn(c34)c(C)nccncn4 -MOL_01_039437,C1NCn(c12)c(=O)c3c(n2)cc(cc3)C(=O)NCC(O)Cc4cc(O)c(F)cc4 -MOL_01_039438,FC(F)(F)c1cc(Cl)c(cc1)Cc(o2)ncc2-c3ccc(nc3)C(NC4)CCC4CC(O)O -MOL_01_039439,NCOc1ccc(nc1)C2=C(c3ccncn3)C=CCc(c24)cc(C)cc4 -MOL_01_039440,c1nc(O)ccc1CC(=N)C(=N2)C(N)=c(c3)c2cc(c34)=CC=C4C -MOL_01_039441,n1cnccc1C(C2)=CC(=C)C23N=CN(CN3)Nc4ccnnn4 -MOL_01_039442,c1c(N)nc(C)cc1C/C(=C\c(c2c34)cccn2)/C=C\C(=O)NCc3nccc4 -MOL_01_039443,c1ccccc1CCCC(N)CC(C(=N2)O)=C(/C=C\C=C/C=C\3)C23c4ccccc4 -MOL_01_039444,C1NNCCC1CCCc2ccc(cc2)Nc3c(-c4ccc(F)cc4)c(N)nc(c35)cc(C)nc5 -MOL_01_039445,CC(=O)c1cccc(n1)-c2c(-n(c3)ccc3C(F)(F)F)nc(nc2)NC(O)CCC -MOL_01_039446,CC(=O)Nc(c1)ccc(=C2)c1=C/C(N2n(c34)ccn3)=N\C(C)CCN4 -MOL_01_039447,c1cc(Cl)cn(c12)nnc2C(=O)N3CCN(NC3)CCc4c(F)cc(F)cc4 -MOL_01_039448,c1c(Cl)ccc(c12)nc(-c(ccc3)cc3C(=O)N)cc2Cc4cnc(o4)C5CN5 -MOL_01_039449,c1ccccc1C([*]2=[*])=CCN2C(C)(N)c(c3)sc(c34)cccc4 -MOL_01_039450,N1CCCCC1c(n2)nc(cc2C#N)N(C3=CCNCC3)Cc4ccc(Cl)cc4 -MOL_01_039451,n1nnccc1CC(=N)c2cc(c(CN)nc2)-c(n3)cccc3C(O)CCc4ccccc4 -MOL_01_039452,ONCCCCCCOc(c1)c(OC)nc(c12)ncnc2Nc(c3)ccc(F)c3N -MOL_01_039453,n1cscc1C(N2)=NC(=C)N(C=23)C=CC(=C3)c(cn4)ccc4CN -MOL_01_039454,C=C(C1)C=C(C)N(C=12)C=C(c3ccc(F)cc3)C(=N2)c(cc4)ccc4CN -MOL_01_039455,[*]1C(F)CCn(c12)ccc2C3=NNN(CC3)NNc4noc(c45)cccc5 -MOL_01_039456,Cc(n1)nc(Cl)c(c12)oc(c2C)C(=N)NCCCCCCCC(C3=N)CNC3 -MOL_01_039457,NC1(O)CCN(C=N1)Nc(cc2)nc(c23)n(C)c(=O)c(c3)Oc4c(F)nc(F)cc4 -MOL_01_039458,c1cccn(c12)nnc2C(=C)Cc(nc3)ccc3C(=C)N(CC4)CCC4c5ccc(Cl)nc5 -MOL_01_039459,FC(F)(F)Cc1ccc(cn1)NN2N(CC(Cl)C2=O)c(c3ONC)cccc3F -MOL_01_039460,CNC(N)CCCCC(O)c1ccc(cc1)Cc2nc(ncn2)N(C)c(cc3)nc(c34)nn(C)c4C -MOL_01_039461,c1ccc(C(C)N)c(c1c23)oc2c(C(=O)N)cnc3Nc4cc(Cl)ccc4 -MOL_01_039462,c1ccccc1OCC(N)N2C=CCC=C2c3cc(oc3)-c4cncc(c45)cncc5 -MOL_01_039463,CC(N)c1cc(ncc1)NC(=C)CNc(cc(c23)nncn3)c(c2N)-c(cc4)ccc4CCC -MOL_01_039464,c1cccc(c12)CC/C=C/CNC(N)/C(N)=C(\c3ccc(Cl)nc3)C(C2=N)c4ccc(Cl)cc4 -MOL_01_039465,Fc1cccc(F)c1CC(N)Cc(cc(c23)n(N)nc2)nc3-c4c(F)cccc4 -MOL_01_039466,c1ccccc1C(OC2N)(c3ccccc3)c(c24)ncc5c4cc(F)cc5 -MOL_01_039467,COc1cccc(NC)c1C(=O)Nc(cccc2)c2CC(O)c3c(CC)ccnc3OC -MOL_01_039468,n1cc(N)ccc1CC(=O)N2CCN(CC2)c(ncn3)cc3Cc4cc(Cl)cc(Cl)c4 -MOL_01_039469,C1CN(C)CCC1c(c2)cnc(c23)cc(C(F)(F)C)cc3NCc4cccc(n4)NS(=O)(C)C -MOL_01_039470,c1ncccc1CCC(=O)c(c2N)cc(c23)cn4c(c3)NC(N)CN4 -MOL_01_039471,c1nc(Cl)ccc1CC(=O)NC2=CCC(CC2)NCN(CC3)N=CC3c4nccc(c45)OCO5 -MOL_01_039472,CC(N)c1ccc(cc1)Nc2ncnc(c2C(C)O)Cc(c3)cc(ON)c(NC)c3CC -MOL_01_039473,CCc(c1)ccn(c2)c1cc(c23)nc(c3)C(=O)NCCN(CC)CCNc4c(F)cccc4 -MOL_01_039474,n1cccn1CC(O)CCc2ccc(nc2)C(C(=O)OC3)=C3c4cccs4 -MOL_01_039475,CCCC(O)n(nc1)c([*])c2c1cc(C)c(c23)ncc3-c4ccccc4 -MOL_01_039476,CC(C)(C)CC(O)C1CCN(C1)Cc2cccc(c23)cnc(c3)-c4ccc(nc4)OC -MOL_01_039477,c1nc(N)ccc1CCc(c2)ccc(c23)N(CC)c4c(N(C)C3=N)cccc4 -MOL_01_039478,Cc1ccc(cn1)-c(nc2)c(F)c(c2CNCC)OCc3c(Cl)cc(Cl)nc3 -MOL_01_039479,C#Cc1c(OC)cc(nc1F)C(CC2)CN(C23)CCN(C3)CCCc4cnc(nc4)-n5ccnc5 -MOL_01_039480,c1nc(C)ccc1Cc(c2)ncc3C(=O)NCCc(c4c23)cccn4 -MOL_01_039481,CCOc1cccc(nnncc1)NC(C2=O)=CCNc(c2c34)ncc3cncc4 -MOL_01_039482,NCCCCc(n1)ccc(c12)ccc(F)c2CCC34CCC(CO4)(CC3)NCc5cnc(cn5)OC -MOL_01_039483,c1cccc(c12)scc2C(=O)Cc(nc(c34)cccc4)c(c3)C(C=C5)CC=C5CN -MOL_01_039484,n1ccccc1COc(n2)cncc2-c(cc(N)nc3C)c3-c4cc(Cl)ncc4 -MOL_01_039485,CC(=O)C(C=C1)CC=C1c2c(nccn2)OC3=CCN(CC3)c(c4Cl)nccc4 -MOL_01_039486,CC(O)c1cccc(n1)C2=C(N)CN(CC2C)c3cc(ncn3)N(CC4)CCC4C -MOL_01_039487,n1ccccc1CC(CCC)CCc(c2)nc(=C)c(c23)=CN=C3C4=CCOCN4 -MOL_01_039488,NCC(=O)NCc(cc1)ccc1CC(O)CCc(c2C)nc(c(c23)cccc3)-c4ccc(N)nc4 -MOL_01_039489,c1ccc(C)cc1C(=O)Cc(c2)c(NCCCCC)nc(c23)=C(C)C(=O)C=3C -MOL_01_039490,n1ccc(Cl)cc1CCC(=C)C(C2)(N)Cc(c23)cncc3-c4ccccc4 -MOL_01_039491,N#Cc1ccc(cn1)-c(nccn2)c2CC(C3)C=C3Nc(c4)ncc(c45)cccc5 -MOL_01_039492,CC(F)(F)Cc1cc(c(Cl)cc1)-c(n(c2)C(=C)N)cc2-c(n3)cccc3C -MOL_01_039493,c1nc(N)ccc1-c(cc2)ccc2C3(CCC3)c4cc(on4)-c5ccc(cc5)N6CCNCC6 -MOL_01_039494,c1cc(N)ccc1C(CC2C(C)C)N(C2)C(=O)C3=CCN(NC3)c4c(OC)cccc4 -MOL_01_039495,C1CCC(F)[*]C1Nc(c(n2)C(C)(N)N)n(c23)ccc(n3)C(F)(F)F -MOL_01_039496,n1cnccc1NCCC(C=C2)=C(C2=3)N(CC)N4C(C3N)=CC(C=C4)Cc5ccc(cc5)NC -MOL_01_039497,NCc1cc(ccc1)-n(c2)cc(CC=O)c(c23)ncc3-c4cc(Cl)c(F)cc4 -MOL_01_039498,o1ccc(=N)c(c1c23)C(C)Nc2nncc3 -MOL_01_039499,c1cc(Cl)ccc1NC(=S)N(C2c3cccs3)CCNC(C=24)NCOC4 -MOL_01_039500,NC(N)c1cc(ccc1)C2=C(CCC2=N)c(c(n3)Cl)nc(c34)cncc4 -MOL_01_039501,CC(N)c(c1)ccc(n2)c1c(cccn3)c3[nH]n(c24)C(=O)CC4=N -MOL_01_039502,CC(=O)CCCC(=O)Cc1c(F)ccc(c1)Cc2nnc(=O)n(c23)CCCN3 -MOL_01_039503,Fc1c(Cl)cc(cc1)Nc2ncnc(c23)ccc(c3)/C4=C\NOCCCCCCC4O -MOL_01_039504,CC(=O)Nc(n1)sc(c12)cccc2Cc3cc(ncn3)C(CC4)CCC4CC -MOL_01_039505,CCC(=O)CNCCCCC(=O)Cc(c1)ccc(c12)ncnc2Nc(cc3)c(Cl)cc3C -MOL_01_039506,c1cc(Cl)ccc1-c(n2)n(C(N)C3=CCOCC3)cc2-c4ccccn4 -MOL_01_039507,c1ccnc(F)c1C(CC2=C)C(=O)N2CN3CCN(CN3)c4ccc(F)cc4 -MOL_01_039508,c1ccnc(OC)c1C(CC2)CC=C2c3nc(C4CCN4)cc(c35)cc(cc5)OC -MOL_01_039509,C1CCCC1CNC(O)c2nc(-c3ccccn3)nc(c24)ncc(C)c4 -MOL_01_039510,n1cc(C(F)F)nc(C(O2)O)c1O\C=C/N=C/N=C\C(=O)C23C=CCC=N3 -MOL_01_039511,O=CNC/1=C\C=C(OC)/C(/CC)=N\C=C\2C=C(C=3C(C124)=C4)SCC3 -MOL_01_039512,CC(C)(N)Cn(n1)ccc1-c2ccnc(c23)C(O)\C=C/C=C\C=C\3 -MOL_01_039513,CC(O)Nc(cc1)ccc1-c2c(ccnc2)OC(=C\3O)\NCC/C=C(O4)\C34F -MOL_01_039514,FC(F)(F)CCC(=N)Cc1cc(ccn1)-c(cc2)n(c23)ccc(n3)-c4cccc(n4)N(C)C -MOL_01_039515,c1c(F)ccc(c1c2=C34)cnc\2=C(/c5ccccc5)N=C\CC(=O)CC3CCC4 -MOL_01_039516,O=C1CC(C)(C)N=C(C1=2)CC(=O)CC2c(c3)c(N)cc(c34)cnnc4 -MOL_01_039517,C1CC1c(cc2F)cc(c23)ccc(c3N)-c(c4CN)cccc4-c(cc5C)cc(n5)Nc6cnn(C)c6 -MOL_01_039518,C1COCCN1c(cccc2)c2NC(N)c(c3)ccc(c34)C(N)C(=C4O)Cc5ccncn5 -MOL_01_039519,ClCCC(CCCl)CNCCN(c(c12)cccc2)C=3C(=C1)C=CN(N3)OC -MOL_01_039520,CCC(=O)Cc(cc1Cl)cc(N)c1Cc2cc(c(C)nc2)-c(ccc3)cc3C(C)O -MOL_01_039521,C1C(=O)CCc(c12)ncc(c2)CCC3CCN(CC3)CCc4c(F)cnc(c45)ccc(c5)OC -MOL_01_039522,NCC(C)CCc1c(nc(N)nc1)-c(cc(cn2)OC)c2CNCC -MOL_01_039523,c1cccc(OCC)c1NNc2cc(C)nn(c23)ccc3-c(ccn4)cc4C -MOL_01_039524,N1C=COC(OCC(F)(F)F)=CC12C(=N)C(=CN2)c(nc3)ccc3CCCF -MOL_01_039525,C1CN(C)CCC1c(c2)cnc(c23)cc(C(F)(F)C)cc3NCc4cc(ccc4)NS5CC5 -MOL_01_039526,c1ncccc1C(Cl)Nc2ncc(c23)c(NCCC)cn(c3)CCCC4CCOCN4 -MOL_01_039527,c1cccc(c12)N=Cc3c(cccn3)C2NC(=N)CCNCNC(CC)c4ccc(F)nc4 -MOL_01_039528,CC1CNN(NC1)Nc2nc(nc(c23)nc(c(c3)N)OC)N4C=CC=CC4 -MOL_01_039529,COC(=O)c1cc(ncc1)NC(=O)C2(NC)CCC(CC2)c3ccnn(c34)ccc4C -MOL_01_039530,c1cc(F)ccc1-c(cc2C)n(n2)C(=N)N3C(C)NCCC3CCCN -MOL_01_039531,N1CCCC1NC(=N)CSc(n2)n(-c(cc3)ccc3C)cc2-c4cccc(n4)OC -MOL_01_039532,N1C(O)NC(N)/C1=C\c2ccn(c23)c(CCC4CC4)cc(c3)Cc5cccc(n5)OC -MOL_01_039533,CC(F)(F)Cc1ccc(nc1)CN2C(CC(C2=O)O)c3c(NC)cc(F)cc3 -MOL_01_039534,CC(=O)N1C=CN(C=C1)c(nc2)ccc2Cc3c(C)nc(c34)cc(C)n(C)c4 -MOL_01_039535,C1COCC=C1C(=O)c2ccc(cn2)NC(=O)NCc3cccc(c34)sc(C)c4N -MOL_01_039536,C1CC(O)CC=C1CCCNC(=O)Cc(nn2)c(O)n(c23)cc(c3)-c(cc4)ccc4CC -MOL_01_039537,c1ccnc(C)c1C(N)c(c2=[*])ncc(Cl)n2Oc(cc3)ccc3CC -MOL_01_039538,c1ccnc(c12)c(O)c(cc2Cl)C(CCO)c(n3)ncc(OC)c3CC -MOL_01_039539,CC(N)Oc(c1)ccc(c12)n(c(c2)-c3ccc(F)cc3)-c(ccn4)nc4COCCC -MOL_01_039540,c1cnc(C(F)(F)F)cc1C(O)Nc(n2)cccc2-c(ncn3)n(c34)ncc4 -MOL_01_039541,CCC(=O)c(cc1)nc(c12)/C3=C(CC(O)CN/C=N/2)/CNCCCC3 -MOL_01_039542,c1cnccc1CNC(=N)c2ccc(s2)Nc(c3)ncc(c34)CC(NC4)c5cc(F)ccn5 -MOL_01_039543,CCC1CCC(NC1)c2ncnc(c23)scc3-c4ccccc4 -MOL_01_039544,CNC(=O)c1c(cccn1)Nc(c(Cl)cc2)cc2Cc3c(CC)nc(nc3)N4C=COC=N4 -MOL_01_039545,CCc1c(CC)ncc(c1)Nc(c2-c(cc(n3)N)nc3C)ccc(c2)C4C=N4 -MOL_01_039546,N#Cc1ccc(cn1)-c(cc2)ccc2COCCOC(=C3C)N=C(C4O5)C3=C45 -MOL_01_039547,CCCC(=C1O)C(=O)C=C(C1=2)C=C(C2)c3cn(cn3)Cc4cc(C)cnn4 -MOL_01_039548,O=C1CC(C)(N)Nc(c12)cc(O)c(c2)-c(n3)scc3-c4ccccc4 -MOL_01_039549,c12c3c4c1nc(cc4)\N=C/C=C\N=C/N=C/Cc5c(N)ccc(c5)c2ccc3 -MOL_01_039550,c1cccc(F)c1C(c(nccc2)c2CCCN)CCCc3cnn(c34)cccc4 -MOL_01_039551,C1CN(C)C=C1Oc(cc2)cn(c23)c(cc3)-c4ccc(nc4)Nc(c5F)nccc5 -MOL_01_039552,Clc1ccnc(c12)/C=C(\[H])C(\C(C)N)=C/C=C\CNc3c(C2N)cccc3Cl -MOL_01_039553,Nc1nccc(c1C)-c(nc2)ccc2C(O)c(c3)cc(c34)n(C)cc5c4cccc5 -MOL_01_039554,Nc1n(C)nnc(c12)cc(c2N)C(O)CNCNc3c(F)cc(F)cc3 -MOL_01_039555,CNc1cccc(NC)c1C2=C(C(=O)CCC2)Nc(ccn3)cc3-c4ccccc4 -MOL_01_039556,c1cc(Cl)ccc1CC2CCC(CN2)c(nc(C)c3)c(c34)nn5c4cccc5 -MOL_01_039557,CC(C)C(=O)Nc1cnn(c12)ccc(c2)N3CCCC3c4c(F)ccc(F)c4 -MOL_01_039558,O=CCCCC(=O)C(NC(C)C)c1c(C)n(c(O)nc1=O)CCCC -MOL_01_039559,n1ccccc1CC2C(N3CCONC3)CCN2c(nc4)ccc4F -MOL_01_039560,Cc1cccc(n1)C2=CC(C(=C2)c(nn3)ccc3C)c4ccc(cc4)S5(=O)C=N5 -MOL_01_039561,C1CC1C(=O)NCCC(CC)C(=O)c(cnc(c23)c(F)cc(F)c3)c2CCCC4(CC)OCCO4 -MOL_01_039562,c1cc(F)ccc1CC(=N)Nc2ccc(cc2)-n3cncc(c34)cnc4N -MOL_01_039563,c1nc(Cl)ccc1CCc(n2)c(n(c23)nccc3C)NNCC(CC4)CCC4CCO -MOL_01_039564,O=C1CC(=O)/C=N\N(C)c(c12)cc(c(c2)O)C(CN3)CC=C3c4ccccc4 -MOL_01_039565,CNc(nc1)ccc1Cc(c(C(F)(F)F)c2)c(=O)n(c23)ccc(C)c3CC(CCN)NCN -MOL_01_039566,c1ccccc1C(O)CNc2cc(C3CCOCN3)nc(c2)N4CCOCC4 -MOL_01_039567,c1cccc(c1CC)CC(C2=O)C(Cc(c23)cccn3)c(s4)ccc4CN -MOL_01_039568,c1nncc(c12)cccc2C(=O)N(CN3)CCC3C(CC4)CC=C4Cc5ccc(Cl)c(n5)Cl -MOL_01_039569,CCCCCC1C(=O)C(C)Oc(c12)ccc(c2)-c(c3CC)c(C)nc(n3)C -MOL_01_039570,O=NNOC(=O)c1c(C)c(c(c12)c2)N(C=N3)C=CN3C -MOL_01_039571,CC(C)C(=O)c1ccc(nc1)NC(O)c(c2)ccc(c23)N=C4C3=CC(C)C=C4 -MOL_01_039572,c1nc(C)ccc1CC(=N)CC(c(c23)ccc(Cl)c2)C(=O)CN=C3c4ccccn4 -MOL_01_039573,c1ccccc1CNc(c2)c(CN)cc(c23)ncnc3-n(c4)c(C)cc4-c5ccccc5 -MOL_01_039574,O=CNC1C(C=12)CC(CC(=O)C)c3c2nccc3 -MOL_01_039575,CC(=O)COC1CN(C1)c(nc2)ccc2CC(O)c(c3C(F)(F)F)nc(o3)-c4ccccc4 -MOL_01_039576,c1cc(F)ccc1C(=O)C(=CN2)CC23C(=O)N(NN3)Nc4ccccc4 -MOL_01_039577,NCCCC(C(=O)C)CC(=O)c1c(-c2ccccn2)cc(cc1)NCCC -MOL_01_039578,CC(O)C#Cc1c(F)cc(cc1)CCCn(n2)c(nc2CN)-c3c(F)cccn3 -MOL_01_039579,c1ncccc1-c(cn2)ccc2CNc3nc(-c(c4CN)nccc4)cc(c35)cccc5 -MOL_01_039580,Cc1csc(c12)nc(nc2O)-c(c3)c(N)nc(c34)ccnc4 -MOL_01_039581,n1c(F)ccc(c1C)Nc2c(C(=O)NC)cnc(c23)c(cnc3)NCCOC -MOL_01_039582,OCC(C)CCNCCc1ccc(cc1)C(N2N3)=Nc(c4C2=3)cc(OC)cc4OC -MOL_01_039583,COCC(O)NC(=C1C)C=NN(C/C(/C=C\2F)=C/C=C/CC(C2=3)C3)N1Cc4ccc(Cl)cc4 -MOL_01_039584,C1C=NN(C(=O)N)c(c12)ncc(c2)-c(cnn3)cc3CCCCC4CCCCC4 -MOL_01_039585,Cc(c1)nc(C)cc1CCC(N)Nc(c2C)cc(cc2)-c(c3)nc(c34)cnn(c4)CC -MOL_01_039586,CC(N)c1ccc(cn1)-c2nc([nH]c(c23)ccc3)-c4ccc(Cl)cc4 -MOL_01_039587,CC(O)c1cc(ccc1)C2C=C(O)Oc(c2c34)ncc3cc(C)nc4 -MOL_01_039588,NCCCc1cnc(cn1)-c(c2)cc(C)c(c23)C=C(C3=O)c4cccnc4 -MOL_01_039589,COc(nc1)ccc1-c(c2)ccn(c23)cnc3-c4ccnc(n4)C5C=CCCC5 -MOL_01_039590,OC(F)(F)c1c(Cl)c(ccc1)NCC(=O)C(N2C)CC(C2=O)c3ccccc3 -MOL_01_039591,C1CCCN=C1CCN(C(=C2)N)C(c(c23)cc(Cl)cc3)c4cccnn4 -MOL_01_039592,NC(N1)NCc([nH]cn2)c1cc(n(c23)cc(n3)C(C)(C)N)Cc4cc(Cl)c(F)cc4 -MOL_01_039593,c1ccccc1Cc(/c(c2)=N/C(C)N)cc(c23)cn4c(cncc4)c3-c5ccccc5 -MOL_01_039594,OCC1CCCN1c(cnc2C)c(C)c2CNc3cncc(c34)ccc(n4)N -MOL_01_039595,n1cccc(F)c1-c(c2)cnc(Cl)c2C(=N)Nc3cccn3-c4ccccc4 -MOL_01_039596,NC(=O)c1ccc(cc1)-n(c(n2)=N)c(-c3ccccc3)cc2-c4ccc(N)cc4 -MOL_01_039597,c1cccc(c12)NC(C)C2C(=O)CN(CN3)CC=C3Cc(cc4)ccc4C(F)(F)F -MOL_01_039598,c1cc(Cl)ccc1C2C(C#N)C\N=C(\C)c(cccc3)c3CC(=C24)CCNC4=O -MOL_01_039599,c1ccc(F)c(F)c1CC(C(=O)C23C(=N3)C)=CC(=C2)Cc4ccccn4 -MOL_01_039600,CCNCC(=N)c1cc(-c2cccnc2)nc(c13)ccnc3 -MOL_01_039601,CCCC(=O)C1=C(C)C(C)=C(C1)c2ccn(c23)c(ccn3)CCc(cc4)ccc4C(O)O -MOL_01_039602,CCCC(O)c1cnc(nn1)N(C2)C=CC2Nc(c(c34)cncc4)nnc3Nc5ccccc5 -MOL_01_039603,FC(F)(F)c1ccc(cn1)CC2=CNC(=CN2)c(c(c34)N=C3N)cc(c4)CC(N)CC -MOL_01_039604,CN(N)Cc1ccc(cc1)C=2C(c(ccc3)cc3CC(F)(F)C)=CC(C24)=C(N)NCC4CCCC -MOL_01_039605,c1ccccc1CN(CC2)c(c23)nc(C=N)nc3CNc4ccc(cc4)ON -MOL_01_039606,c1ccccc1Cc2c(N)n(C(=O)C)c(nc2=S)CNCN(CC)c3ccc(F)cc3 -MOL_01_039607,N1CCC1(N)S(=O)c(nccn2)c2-c(cc3)cc(F)c3-c4ccc(cn4)N -MOL_01_039608,C1COCCC1c2c(-c3ccnc(n3)N)n(cc2)-c4ccc(F)cc4 -MOL_01_039609,CN(C)CCCCCC(N)Cc1ccc(cc1)Cc(c(O)c(c23)cccc3)nc2-c4ccnnn4 -MOL_01_039610,[*]1C(C)CCc(c12)[nH]c(-c3ccsc3)c2Cc4ccc(CN)cc4 -MOL_01_039611,FC(F)(F)COc1c(N)ncnc1N(CN2)CCC2N(CN)c(cc3)ccc3C(F)(F)F -MOL_01_039612,O1OC1(C(F)(F)F)c2ccc(cc2)NC34C(C(O4)N)=CC(=N3)CCC -MOL_01_039613,C=C1CCc(c12)cnc(c2)ONNCCC3C=CN(CC3)C(=NC=C4)N(C4=5)COC5 -MOL_01_039614,c1nccc(F)c1CC2CCCc([nH]cnn3)c2n4c3n(c45)cnc5 -MOL_01_039615,CCOC(=O)c1cc(ccc1)-c(ccn2)c(c23)oc(cc3=N)N4CCOCC4 -MOL_01_039616,C1CCC1C(C)(C)Cc2c(C3CC(N)OC3)nc(cn2)-c4c(Cl)ccc(c4)OC -MOL_01_039617,c1ccccc1-c(nc2C)n(c23)cc(cc3)-c4ccncn4 -MOL_01_039618,Cc(n1)ccc(c12)cc(c(C)c2C(=N)N)-c3ccc(nc3)-c4ccccc4 -MOL_01_039619,c1ccc(Cl)cc1C(C2=O)=C(C(N)=C2C)c(c3)ccc(c34)nccn4 -MOL_01_039620,c1cc(C)ccc1CC(C=C)N(C2=O)C(=C)c(c23)nc(C=O)cc3 -MOL_01_039621,n1cccc(c12)ncc(c2N)/C=C(\C=O)NC(c3ccc(F)nc3)Cc4ccc(nc4)SC -MOL_01_039622,n1ccccc1C(O)c2c(nc(nc2)C(=C3CO)CCC3)NCc4cc(Cl)c(cc4)OC -MOL_01_039623,c1cncc(c12)n3c2nc(c3)CCCC4C(O)/C=N/C=C\C=C\C4=O -MOL_01_039624,c1ccnc(c1C(F)(F)F)C(CC2)CCc(c23)nc(C4CCNCC4)nc3Cc5ccccn5 -MOL_01_039625,NCC(=O)c1cc(Cl)c(nc1)C2=CC(C)C(CC2)C3=CCN(CN3)Cc4ccccn4 -MOL_01_039626,CC(O)c1ccc(cc1)-c(nc2)c(N)nc(c23)c(nc3C)-c4cccnc4 -MOL_01_039627,NCc1cc(ccc1)-c(cccn2)c2C3CC(C3)c(c4)cnc(c45)cccc5 -MOL_01_039628,N1CCCC1C2=CC(CC2)CCC(=N)CCc3ncn(c34)ncc(c4)NCc5ccncn5 -MOL_01_039629,CNC(=O)CC1C\C=C\C=C(\N)N=C\n(c12)cc(c2)-c3ccc(cn3)N -MOL_01_039630,C1CCCCC1c(n2)nc(c23)cn(-c4cccnc4)cc3-c5ccccc5 -MOL_01_039631,c1cccc(c1C)-c2ccc(nn2)NCC(CC3)CCC34NN(C(O4)=N)c5cccnn5 -MOL_01_039632,n1ccccc1C(=N)c(c2CN)cn(c23)c(C(O)CC)c(C)cc3 -MOL_01_039633,O1CNN=NC(C)C12c3c2ccnc3OC -MOL_01_039634,c1cccc(c12)c3ncc2NCCCCCCc4c5c(cccn5)c(nc4)CCCOC3 -MOL_01_039635,CC(C)CC(=O)c(nc1)cc(c12)nc(C3=CCCCN3)cc2Cc4ccc(Cl)nc4 -MOL_01_039636,c1ncccc1C2=CNN(CC2)C(=O)CCc(ccc3)n(c34)ccc4-c5ccc(nc5)OC -MOL_01_039637,CNC(=O)c1cc(F)c(nc1)CCC(=O)N2CCCc(c23)cccc3C -MOL_01_039638,OCNNC(=O)c1ncc(-c2ccccn2)n1-c3ccccc3 -MOL_01_039639,c1ccc(c2c13)c4c(N)nc(cc4)/C=C\C=C\C\C=C\C(N)/C=C\C(=C2)C3=N -MOL_01_039640,CS(=O)(=O)N(CN1)CCC1c(c(c2)C(C)C)cc(c23)ncnc3CCCc4ccc(Cl)cc4 -MOL_01_039641,FC(F)(F)Cc1ccc(nc1)-c(c2CC(=O)N)cc(cc2)-c3ccc(nc3)C4CC=CCN4 -MOL_01_039642,FC(F)(F)c1cc(c(F)cc1)CC(N)Cc2ccc(cn2)Oc3ccnc(c34)NNC(C)C4 -MOL_01_039643,c1ncccc1-c2ccc(nc2)CC(O)Nc(c3)ccc(c34)nccc4C5=CCC(N)CN5 -MOL_01_039644,c1cccc(F)c1C(C2=O)CC(N)N2NN(NC3)CCN3c4c(F)cccc4 -MOL_01_039645,c1ccccc1Cc(nn2)n(c23)ncnc3NC4CCc(c45)cccc5 -MOL_01_039646,CCc(n1)cccc1C(=O)CC(CC2=N)C(C)=C2c(c3)sc(c34)cncc4 -MOL_01_039647,COc(c1)ccn(c12)c(nc2)S(=CO)c(c3)cnc(F)c3NC4=CCC(N)NC4 -MOL_01_039648,CC1(C)C=C(CC(C)(C)N1)C(C)c2ncc(cn2)-c3c(O)cc(cn3)-n4cccn4 -MOL_01_039649,c1c(Cl)c(F)cc(c12)NCC2C(=O)Nc3ccc(nc3)Oc(c4C)cccn4 -MOL_01_039650,CC(C)(N)CC#Cc1csc(c12)c(CCCC)cc(n2)-c3ccncc3 -MOL_01_039651,O=C1CC(C)(C)CC(=C12)CC(c3cnccn3)=CC2c4c(Cl)cc(F)cc4 -MOL_01_039652,COc(nn1)ccc1CC(C)c(c2C(=O)O)cnc(c2)-c(on3)cc3CC -MOL_01_039653,n1cnccc1C2(CCCN)CC(=O)C(=C(O2)C)CCc3cccnc3 -MOL_01_039654,O=CNCc(nc1O)cc2sc(c3c12)CCCC3 -MOL_01_039655,c1ncc(c12)cnc(CC(F)(F)F)c3c2ccc(c3)-c4ccnc(n4)C5CCN(C)NC5 -MOL_01_039656,FC1(F)CC(CC1)Nc(n2)nc(-n(n3)ccc3C(F)F)cc2CC(=CC4(F)F)CC4 -MOL_01_039657,O=CCc1c(non1)-c(c2)c(OCC=O)cc(c23)OC(=C)C=C3C -MOL_01_039658,c1cccc(c1C(C)O)CC(=N)C2CCN(CN2)c(cc3)nc(c34)cnc(c4)OC -MOL_01_039659,O=C1OC(C)(C)C=C(C1=2)C=C(NCCCCC)OC2c3ccc(Cl)cc3 -MOL_01_039660,c1nccc(c1C(F)(F)F)-c(n2)sc(c2CN)CC(=O)c3ccc(cc3)CN4CCN(C)CC4 -MOL_01_039661,CCC(=O)N(CC(=C12)O2)C(N)(N)c3c1ccc(c3)-c4c(F)cccc4 -MOL_01_039662,c1cccc(c1C)NCC2=C=C2c3c(cccn3)NCc(nc4O)nc(c45)cccc5 -MOL_01_039663,NC(N1)CNC=C1c2c(cccn2)NC(=O)c(c3)ccc(F)c3-c4c(F)ccc(c4)O -MOL_01_039664,Clc1ccc(nc1)S(=O)(C)NC(=C2)C23C4(C=C3)CCN(CC4)c5ccccn5 -MOL_01_039665,COC(=N)c1ccc(cn1)-c(c2)cnc(c23)=NC(=O)C=3CC4CCCCC4 -MOL_01_039666,FC(F)(F)c1ccc(cn1)Nc2c(C(N)N)cnc(c23)cc(nc3)-n4c(C)nnc4C -MOL_01_039667,CCCCC(CCON)CC1CCC(CC1)C2=NC=c3cnc(c4c23)=CC=C4 -MOL_01_039668,FC(F)(F)C1=CC(CCN1)C(O)c2cc(-c3ccncc3)nc(c24)cccc4 -MOL_01_039669,C1CNCCC12C(O2)(C)c3ccc(nc3)-c4cc(ncc4)Nc(cn5)cnc5C -MOL_01_039670,c1cc(F)ccc1CN2C(=O)C(O)Oc(c23)ccc(c3)-c4cc(OC)ccc4 -MOL_01_039671,FC(F)(F)c1ccc(nc1)Cc2cn(CCC(C)N)c(c23)nccc3 -MOL_01_039672,CCNc(cn1)c(F)cc1C(N)C(=O)NCc(ccc2C(F)(F)Cl)c(n2)CCc3ccccc3 -MOL_01_039673,C1CCCC1CCOc(c2COC\N=C\C)ncc(n2)Cc3nc(c(F)nn3)-c(cc4C)ccc4 -MOL_01_039674,c1ccccc1CC2C=CN(NC2)CN3C=CN(NC3)C4C(=O)N=c(c=45)cccc5 -MOL_01_039675,c1cccc(OC)c1N(CC)CCCc2nc(-c3cnccn3)nc(c24)cc(c(C)c4)OC -MOL_01_039676,c1ccnc(c1C(F)(F)F)NC2=CCC(CC2)N(CC)NNCC=3C(=C)N=c(c34)cccc4 -MOL_01_039677,CC(=N)C(C)(C)Nc(cc1)cc2c1/N=C\COc3nn(c4c23)nccc4 -MOL_01_039678,c1nccc(N)c1-c(c(C)c2CC)c(C)c(c23)cc(CO)nc3 -MOL_01_039679,c1cccn(c1c23)nc2NC(=C\N)/C=C/N=C(\C=C\3)/c4ccc(cc4)ON -MOL_01_039680,OCN(C)C(=O)C(C1(O)CC)C\N=C(\CC(C)C)Oc(c12)ccc(Cl)c2 -MOL_01_039681,c1cncc(c1C)C(CC2=C)C(=O)N2CC(NC3)CC=C3c4ccccc4 -MOL_01_039682,CCCCCNc(c(nn1)NC)cc1C(=N2)C2(NC)CC3=CCCC3 -MOL_01_039683,NCc1ccc(cn1)-c(c2CCO)c(co2)-c3c(N)nc(O)c(Cl)c3 -MOL_01_039684,n1c(Cl)cccc1NNCN(CC)CNCC2C(=O)C(c(c23)cccc3)Nc4cccnc4 -MOL_01_039685,c1nccc(c12)NC([*]2)n3c(N)ncc3-c4ccc(cc4)NC -MOL_01_039686,c1nc(CO)ccc1C(C(C2)CC2(C)N)Nc(c(C)c3)nc(c34)nc(F)cc4 -MOL_01_039687,CC(F)(F)c1cc(ncn1)N(CC2)CCN2CCCCc(c(O)c3C(F)(F)F)ncc3 -MOL_01_039688,CNC(=O)c1c(cccc1)Cc2c(N)cnc(n2)Nc(cn3)ncc3C4=CNC(C)CC4 -MOL_01_039689,[*]c1c(C)nc(C=O)nc1N(C2)CC(N)C2CCc3c(Cl)ccc(n3)F -MOL_01_039690,c1ccc(CN)cc1C(=O)CC(C2)CCC(CN3)C2=C(C3=c45)N=c4cccc5 -MOL_01_039691,n1ccccc(C)n(CN)c2c1ccn3n(c4c23)ccc(n4)F -MOL_01_039692,c1cc(Cl)cc(NC)c1C(C)N(N)c2ccc(cc2)Nc3c(OC)cc(nc3)N4C=CC=CN=C4 -MOL_01_039693,c1c(N)ncc2c1C=C(C23)c4c(cccc4)C=3Cc5ccc(cc5)ONCC6CCNCC6 -MOL_01_039694,c1cccc(F)c1-c(nc2)n(c23)cc(cc3)-c4cc(ncc4)C5=CCCC(N)=CC5 -MOL_01_039695,C=S(N)c(cn1)ccc1CCCC(=C2)C=C(C2=3)N=CC3c4cc(Cl)c(F)cc4 -MOL_01_039696,c1cncc(c1C(F)Cl)-c(c2)ccc(c23)ncnc3CCCC4CCOCC4 -MOL_01_039697,C=CCc1c(N)cc(-c(c2C(N3)C3C)nccc2)cc1SCCN -MOL_01_039698,c1ccccc1CC(=N)OC2=C(C(CC3)NC=C23)Cc4cccnc4 -MOL_01_039699,C1CCCc(c12)nc(cc2)Cn(cnccncc3=O)n3-c4ccc(O)cc4 -MOL_01_039700,c1ccnc(c12)c(C(=O)N)ccc2C(CC3)C=C3CC(O)c4cc(F)c(F)nc4 -MOL_01_039701,N1CC1C(=O)Nc(nc2)ncc2Nc3c(cccc3)-n(cc(C)c4)c(c45)ccc5 -MOL_01_039702,N#CC1CC=CN1C(=O)CC([*]2[*]=C2)C(=O)c3ccnc(c34)ccnc4 -MOL_01_039703,C1CC(C=O)C(N)n(c12)ncc2-c3ccccn3 -MOL_01_039704,c1cccc(c12)sc(n2)CC(CCCCN)C3NCNc(c34)nccc4 -MOL_01_039705,CCCc1c(SC)ccc(n1)CNNCNC(CC2)CC2c3nccc(c34)ccc(n4)OC -MOL_01_039706,c1cnccc1-c(nc2)ccc2CC3C(=O)C(N)c(c34)cc(cc4)OCc5ccc(F)cc5 -MOL_01_039707,C1CCC(CC)C=C1C(N)c(cn2)nc(c23)ncc(c3)Cc4ccc(cc4)C5(N)CC5 -MOL_01_039708,c1ncccc1CNC(=O)c2cc(ccc2)N(C(=O)C3)C(O)/C3=N/c(nc4)ccc4C -MOL_01_039709,CCNc(cs1)cc1CC(=O)N(OC2)CCC2n(cc3)c(c34)nc(F)cc4 -MOL_01_039710,C1CCC(C)C(N)=C1CC(=N)CN(C(=O)N2)C(=O)C2(NC)c3ccc(F)cc3 -MOL_01_039711,C1CCCC(CN)C1Cc2c(Cl)cnc(n2)Nc(c3)ncc(c34)N(C)C(=O)NNC4 -MOL_01_039712,NCCc1cc(ccc1)-c2cccc3[nH]c(c4c23)cccn4 -MOL_01_039713,C1CC=CC=C1NC(N)COc(cnc2)cc2-c(cc3)cn(c34)c(C)nn4 -MOL_01_039714,c1c(Cl)ccc(c12)cn(c2)-c(n(c34)cccc3)c(n4)-c5ccc(cc5)ON -MOL_01_039715,COC(=O)c1ccc(cc1)C(=Cc(c23)nccc2)CC(=O)C3Cc(c4C(C)O)cccc4 -MOL_01_039716,CC(F)(F)c1cc(C(F)(F)F)nc(c1)C(C)NCc2c(ccnn2)-c3c(F)nccc3 -MOL_01_039717,CC(C)NC(CO)NC(=O)C(N)Cc(c1)cnc(c1c23)c2cccc3 -MOL_01_039718,C1COCCC1CCOc(c2)cnc(c23)CC/C=NC(=C/C=C/C3O)\Nc4c(F)nc(F)cc4 -MOL_01_039719,CCC(=O)c1c(cncc1)Nc2ccnc3[nH]c(c4c23)ccc(c4)C5=CCONN5 -MOL_01_039720,n1ccccc1CNC(O)c2c(nc(nc2)C(=C3CO)CCC3)NCc4cc(Cl)c(cc4)OC -MOL_01_039721,N=C(O)n(cn1)c(c12)cc(c(Cl)c2)-c3ccc(nc3)OCCCN(C4)CCC4F -MOL_01_039722,CC(C)CCc(c1)ccc(c12)C(N)CNc3cc2nc(F)c3 -MOL_01_039723,CCC(C)(N)CCc1cc(C)cc(c12)cnc(n2)Cc3c(OC)cc(cc3)-n4cncc4C -MOL_01_039724,n1cccnc1NNCC(O)c2nc(cc(c23)cccc3)-c4cc(ccc4)OCCN -MOL_01_039725,C=CNC(C1)=Nc2c(C(F)F)cc(c=3c=12)N=NN3 -MOL_01_039726,n1ncccc1C(=O)C2CC(c(cn3)ccc3C)N=C2c4ccc(cc4)OC(C)C -MOL_01_039727,C1=NN=C2C(=O)C(=c(c3=C12)cccc3)CC(=C)N(C)Cc4cccnc4 -MOL_01_039728,NNc(c1)c(CC)cc(c12)ncnc2-n3cc(cc3C)-c4ccccc4 -MOL_01_039729,n1cnnc(C)c1CC(CC2)CC=C2c3ncnc(c34)cc(C)cc4N -MOL_01_039730,c1ccccc1NC(=C)Cc2ccc(cc2)C(C3)=NC(C=34)=CC=C4C(=O)OCC -MOL_01_039731,CC1CCC(CC1)NC(=O)c(cc2)cc(c23)n4c3cncc(C)nc(C)c4 -MOL_01_039732,N1CCCN=C1C(=O)COc(c2)ccc(c23)n4c(c3C(F)(F)C)cccc4 -MOL_01_039733,C1NCCC1S(=O)(O)c(cn(c2)CN)c2-c(cc3)ccc3C -MOL_01_039734,CCCC(C=1C)=NC(C12)=CC=C(C2=O)Cc3c(CN)ccc(c34)cccc4 -MOL_01_039735,n1ccccc1NC(=O)N(Cc(c23)cc(CN)cc2)CC3Cc4c(Cl)ccnc4Cl -MOL_01_039736,CC(C)n1cnc(Cl)c1-c(n2)cncc2Cc3ccc(cc3)C(NN4)CCC4CCO -MOL_01_039737,CNC1=CNC(CC1)c2ccnc(c23)scc3-c4ccccc4 -MOL_01_039738,c1cccc(Cl)c1C(C)CC(=C)Nc(n(C)nc2)c2-c3ccc(F)cn3 -MOL_01_039739,FC(F)Cc1ccc(cc1)-c(nn2)n(c23)c(ccc3)CNC(N)c4cc(F)c(F)cc4 -MOL_01_039740,n1ccccc1NN(C=2CCCC)CN3CCCN(N3C24)C=CN4 -MOL_01_039741,c1ccccc1-c(noc2N)c2C(N)Cc3c(cccc3)C4=CC=CCC4 -MOL_01_039742,Cc1cncn1-c(ncc2)cc2NCN(CC3)C=CC3c4cccc(c45)nc(C)cc5 -MOL_01_039743,NCC(=O)c1cc(ccc1)-c2nccn(c23)cc(c3)Nc4c(OC)cccc4 -MOL_01_039744,c1cc(F)cc(N)c1C(N)C(CC2)C=C(C2=3)N=NC3c4c(F)c(F)ccc4 -MOL_01_039745,Cc1c(F)cc(NC)c(c1)NC(=N)CCc(nc2)nc(c23)/C=N/C=C\C=C\N(CC)C3(O)O -MOL_01_039746,NS(=O)NC(CC)CCCC1=CC=c2cnc(c3c12)=NC=C3 -MOL_01_039747,CC(N)CCNc(nc1)ccc1N(CO2)C(C2=N)n(cc3)cc(c34)ccc4 -MOL_01_039748,c1nc(F)ccc1C(C)(O)CNC(=O)N(CC2)CC=C2c(c3)cn(c34)ccc(N)c4C -MOL_01_039749,COC(=N)c1ccnn(c12)c(C(N)C(C)C)cc2C=N -MOL_01_039750,CC1CCN(OC1)CCCNC(O)C2CCC(CC2)c3cnc4c(c5c34)ncc5 -MOL_01_039751,n1ccccc1Cc2nc(-c(n(c3)N)cc3C)nc(n2)C(CC4)Cc(c45)cncc5 -MOL_01_039752,c1ccccc1C2(C(=O)N(C)C(C2)N)c3cc(ccc3)-c4cc(Cl)ccn4 -MOL_01_039753,c1ccccc1C(N)Cc2nc(nc(c23)nc(ON)c(c3)CC)CCNc4cccnc4 -MOL_01_039754,c1ncnc(c12)N(C(C2)O)CCCCCN(NC)Cn(cc3)c(c34)cc(F)cc4 -MOL_01_039755,c1cccc(c1C(F)(F)C)OCN(C(C)N)c2cnn(c23)c(C)ncc3 -MOL_01_039756,n1cncc(c1CC)-c(c2C(=C)N)c(c(C)cc2)C(N)CNc3ccccn3 -MOL_01_039757,c1ccccc1CC(N)n(nc(c23)cncc3)c2Cc4cc(O)c(Cl)cc4 -MOL_01_039758,c1cccc(c12)ncc(c2)C(=O)NCCC(N)CN3CCN(CN3)c4ccnc(c45)cccc5 -MOL_01_039759,CNC(=O)c1cc(c(Cl)cc1)-c(cc2)cc(c23)CCCC3CO -MOL_01_039760,NCC1OC=C1NCc2cccc(n2)-c(cc3)cc(c34)n(cc4)-c5ccnc(n5)N -MOL_01_039761,c1ccccc1CNC(=O)c2nnc(s2)Nc(c3)cnc(c34)C=C(CC4)c5cccnc5 -MOL_01_039762,C1CC[*]CC1C(C)Cc2cc(-c3c(N)cccc3)nc(c24)cnnc4 -MOL_01_039763,C1=CN=CN(C1=2)N=C(N(NC3)CCN3C)C(=CC2)c4ccc(N)cc4 -MOL_01_039764,c1ncc(Cl)cc1C(=N)C(c(c2c34)ccnc2)NC(=N)c3cccc4 -MOL_01_039765,c1cc(Cl)ccc1Cc(c2)cc(CCC3CN3)n(c24)ccc4\N=C5\C(O)CC(=O)N5 -MOL_01_039766,c1cc(C)cc(c12)NC(C2O)C3CCN(CC3)c4cccc(c45)CCCO5 -MOL_01_039767,Cc1cc(cnc1)N(CCNN)C2CCN(CC2)N(C3)c4cncc5cccc3c45 -MOL_01_039768,FC(F)(F)Cc1cc(cnc1)Nc2nccc(c23)cnc(c3)N(CC4)CC=C4C5CCNCN5 -MOL_01_039769,c1c(F)ncc(c1c23)c2nc4c3c(N)cc4 -MOL_01_039770,c1ccnc(c1C)C(N(C)C2)=Cc(c2c34)ccc3ncc(c4)ON -MOL_01_039771,c1cc(Cl)nc(c12)cccc2CCCNCN(N)c(s3)ccc3-c4cnc(F)cn4 -MOL_01_039772,c1cc(F)nc(c12)C(NC(CF)C2)CC(=O)Cc3cccc(c34)ccc(C)c4 -MOL_01_039773,OCCCCc1c(F)ccc(n1)-c(c2)cnc(c2C)C3=CCOCC3 -MOL_01_039774,c1cccc(c1c23)cnc2c(ccc3)-c(nc(c45)cccc5)cc4C6=CCC(CO6)N -MOL_01_039775,NCCNC(=O)c1cc(-c2cccnc2)cc(c13)cccc3 -MOL_01_039776,NC1CCN(CC1)CC(C)CCC(=O)c2cc(-c3cccnn3)cc(c24)nccc4 -MOL_01_039777,c1ccc(NC)cc1-c(cc2)cn(c23)c(nc3)-c4cc(ncc4)C5CCCNC5 -MOL_01_039778,c1cnnc(c1C(F)(F)F)NC(=O)C(O)(CC)c2c(NC)cccc2 -MOL_01_039779,c1ccc(C(F)(F)O)c(Cl)c1C(=O)N(CC2)CC(N)C2c(c3C(C)C)ccnc3 -MOL_01_039780,c1cc(CN)ccc1C(C)c2cc(-c3cccnc3)nc(c24)cccc4 -MOL_01_039781,c1cc(F)ccc1NC(CC)CCCC(O)c2c(nccn2)-c(nc3)ccc3CC4=CCN=C(C)C4 -MOL_01_039782,c1ccc(c12)n3c(c(ccc3)NCC)cc2Nc(c4C)c(Cl)ncn4 -MOL_01_039783,Fc1c(Cl)cc(cc1)NC(N)COC(O)NCc(c(O)c2CCNC)nc(c23)cncc3 -MOL_01_039784,c1ncccc1-n(c2)cc(-c3ccc(Cl)nc3)c2-c4ncc(o4)-c5ccccc5 -MOL_01_039785,CC(=N)C(C1)C=C1Nc(cc2)ccc2-c(c3)nc(c34)cn(cc4)-c5cccnc5 -MOL_01_039786,O=CN1CNN2C(CO)Nc(c3C12)ccc(c3)CCc4ccc(cc4)OC -MOL_01_039787,O=CCCNCNc1ncnc(c12)C(=O)C(C)C2=O -MOL_01_039788,Cc1ccc(cn1)C(C2)N(C=O)C=C2c3cc(ccc3)Nc4ccnc(c45)cc(Cl)cc5 -MOL_01_039789,n1cncc(c12)n(CC(C)C)c(c2)NCC(N)C3CCN(CC3)C(N)c4cccnn4 -MOL_01_039790,c1ccccc1C2(C=C2)CCNCC(=O)Nc(c3)cnc(c34)ccc(c4)-c5cnn(C)c5 -MOL_01_039791,C1CCCC12C(=[*])N(CCC2)c(cn3)ncc3C(C=C4)C=C4C(=C5C)NNN5 -MOL_01_039792,C1CCN(C(=C)N)c(c12)ncc(c2)S(=C)Nc3c(N)cccc3 -MOL_01_039793,c1cc(F)ccc1-c2cc(C(=O)N)cc(c23)nc(nc3)CC(=C4)CN=C(C4=5)N5 -MOL_01_039794,c1ccnc(Cl)c1CCC(=O)n(c2)nc(c23)NCCC(C3=N)Cc4ccc(C)cc4 -MOL_01_039795,OC(O)c(c1)c(F)cc(c1C(=O)C)-c(nc2)ccc2CNc(ccc3)cc3C(F)(F)C -MOL_01_039796,NCCCc(nn1)n(c12)cnc(c2C)-c(cc3)ccc3CC -MOL_01_039797,OCCCNCCc1nccc(c12)NCCN2c3ccnc(c34)cc(Cl)cc4 -MOL_01_039798,CCc1c(CC)cnc(c1)Nc(nc2)nc(c23)n(cc3)-c(ccc4)cc4CO -MOL_01_039799,C1CC(C)=NC=C1Cc(c(c23)ncc2)cc4n3ccnc4 -MOL_01_039800,Cc(c1)ccc(c1c23)/C=C/N=C(N)\CC(C)c3nnc4c2cccc4 -MOL_01_039801,c1ncnc(c12)N(C(C2)N)CCCc3nnnc(c34)cccc4 -MOL_01_039802,CC(=O)CC(N)c1ccc(cn1)CC(NN2)C=C2c(c3)nnc(Cl)c3C(F)(F)F -MOL_01_039803,c1cc(F)ccc1C(N)n2nc(-c3cccnc3)nc2CCc4ccc(F)cn4 -MOL_01_039804,c12/c=3c4=Cc1ccc(c2)c(n4)/N=C\CC(=O)/C3 -MOL_01_039805,COCCOCCOCCCc1c(OC)cc(nc1)/N=C\2C(O)Nc(c23)ccc(Cl)c3 -MOL_01_039806,c1ccc(Cl)cc1CCC(=N)C(CC2)CN3N2NCc(c34)nncc4 -MOL_01_039807,c1ccccc1CN(CC2CCCC2)C(O)c3c(C)nc(cc3)-c4ccncc4 -MOL_01_039808,CCC(=O)c1cc(ncc1)-c(nc2)cn(c23)c(nc3)-c(c4)ccc(c45)CC=C5 -MOL_01_039809,n1cc(N)nc(C)c1C#Cc2c(cccc2OC)-c(cc3)cc(F)c3C(=O)C4CCC(C)CN4 -MOL_01_039810,C=C(N)OCc1ccc(cc1)-c2nccn(c23)c(cc3)C(N)c4c(F)cccc4 -MOL_01_039811,c1ccc(C)cc1C(=O)Nc(cc2)ccc2C3N=C3CC(=NC4=O)N=C(C4=5)N=CC5N -MOL_01_039812,FC(F)(F)c1cc(C(F)(F)F)nc(c1)CNC(=O)C2=CC(CC2)N(NN3)CC=C3c4ccccn4 -MOL_01_039813,C1COc(c12)ccc(n2)-c3nnn(c34)nccc4 -MOL_01_039814,NNc1ccnc(c12)c(Nc(c3C)cccn3)nc(n2)C4CCNCC4 -MOL_01_039815,NCc1ccc(cc1)NN(CN2)[*]C2C(N)n(c3O)nc(c34)cccc4 -MOL_01_039816,CCNC(=O)c1c(nc(F)cc1)/C=C/NCc(cc2)nc(C)c2-c3ccccc3 -MOL_01_039817,n1nccc(Cl)c1C(CC2)CCC2C(=O)Cc3ccc(c(n3)Cl)-n(n4)cnc4C(=O)NC -MOL_01_039818,c1ncccc1NN(C(=O)C2=NNCCC2)C(N)Cc(c34)c(C=C3)cc(c4)-c(ccn5)cc5C -MOL_01_039819,CC(F)(F)c1cccc(n1)CCC(=O)C2(N)C(NC2)Cc(c3)oc(c34)ccnc4 -MOL_01_039820,c1ccccc1CCC(=N2)C(C(=N)CC=N)=CNc(c23)cnc(c3)N(CC4)C=CC4C(=O)C -MOL_01_039821,c1cccc(F)c1N(CN2)C[*]C2/C=C(\C3=O)C(=O)Cc(c34)cccc4 -MOL_01_039822,C1=CC=CC(C12C)=CC=C2C(=O)Nc(cc3)nc(c34)n5c(n4)cccc5 -MOL_01_039823,OC(O)c1cccc(c12)NC(=O)CC(C2=O)NC(N)OCc3ccccc3 -MOL_01_039824,C1=CCC(=C1C)c(cc2)nc(c23)oc(n3)C(CC4)CC=C4C5CCCNC5 -MOL_01_039825,N#Cc1cc(ccc1)-c2nc(OC(=N)N)cc(c23)ccnn3 -MOL_01_039826,c1cccc(c12)c(NC)c(N)c(c2C)-c(n3)cn(c34)cccc4 -MOL_01_039827,FC(F)(F)c1cc(ccc1)CC(=O)CCC2(C=C2)c(cc3)nc(c34)[nH]c(=O)n4C -MOL_01_039828,CC(O)c(cc1)cc(c12)N(CC2)C(O)CNCCN(CC)Cc3ccc(Cl)nc3 -MOL_01_039829,c1cccc(c12)ncc(O)c2C3=CCC(CC3)C4CCCNCCC4 -MOL_01_039830,c1cc(N)ccc1C(CC(=O)CN)c(cc2CN)c(N)c(c23)nccc3 -MOL_01_039831,Cc(s1)cnc1CC(=O)c2cc(ccn2)S(=O)(=C)C(N=C3C)ON(C)C3 -MOL_01_039832,C1COCCC1C(=O)c(c2CC)nc(cc2C)-c3ccc(cc3)OC -MOL_01_039833,C=C(O)c1cc(sc1)S(=C)(=N)C2CCN(CN2)Nc3ccc(Cl)cc3 -MOL_01_039834,CCCCONc(nc1)nc(c12)cc(c(c2)-c3cccnn3)C4=CCNCC4 -MOL_01_039835,NCC1[*]CC(NC1)NCCC(N(C)C2=C)=Cc(c23)cc(Cl)cn3 -MOL_01_039836,O=CCC(=C)C1C(NCCN1)c(cccc2)c2-c3ccccn3 -MOL_01_039837,C1NNCCN1c(c2)n(c(c23)cc(cc3)C(=N)CC)Cc4cc(C)ccc4 -MOL_01_039838,N#Cc1ccc(cc1)C(=N)Nc(c2)ccc(F)c2C3(CO)C(F)(F)COC(C)=C3 -MOL_01_039839,C1CCCC1N(O)S(=O)c(c2CC=N)cc(cn2)C3=CC(=O)N=C3 -MOL_01_039840,c1nccc(c12)nc(C3[*]CCCC3)c(c2)NS4(=C=C=4)c(cc5)ccc5N -MOL_01_039841,NC(=O)C([*]1)=CC(=CCN2)C12C(=O)CCCCc3ccccc3 -MOL_01_039842,c1ncc(N)cc1Cc2cc(ccc2)NC(c(c34)cccc4)=C5C3=CCCC5 -MOL_01_039843,C1COCCN1C(=N)CN(C(=O)C2)C(=O)C2(NC)c3ccc(F)cc3 -MOL_01_039844,C1NCCC=C1CNNNc2cc(-c3ccncc3)nc(c24)nnc(C)c4 -MOL_01_039845,c1cnc(C(F)(F)F)cc1C(=O)CNC(=C)CC2=CN(CC2)C(CC3)=CCC3(O)c4ccncn4 -MOL_01_039846,n1c(F)cccc1CC(N)c2cccc(c23)cc(cc3)Nc4nccc(c45)nc(CN)c(c5)CC -MOL_01_039847,CCCCCCCc1nc(-c(nc2)ccc2C)nc(c13)CC(C=C3)c4nccnn4 -MOL_01_039848,c1nc(F)ccc1CCc2nc(N3C=CNNC3)nc(c24)cc(CN)c(c4)NN -MOL_01_039849,C1=COC=CN1CCOc(c(n2)ON)cc(c23)ncnc3Nc(c4)ccc(F)c4F -MOL_01_039850,N=CNc(c1C(=O)O)ccc(c1)-c2nccc(c23)cccn3 -MOL_01_039851,CC(F)(F)C1=CC(CCO1)c(c2)nc(-c3ccccn3)cc2Cc4ccncn4 -MOL_01_039852,c1c(Cl)ccc(c12)nc(cc2NCCN)C(C3)CNCc(c34)cccc4 -MOL_01_039853,CC(=N)c1cccc(c12)/C=3C\2=C/N=C\NC(C)(C/C3)C(=O)Cc4ccccc4 -MOL_01_039854,n1cc(Cl)c(Cl)cc1CC(=O)NC2CCC(CC2)Oc(n34)nn(C3(C)C)[nH][nH]4 -MOL_01_039855,C1=C(O)C=CN(C1=2)/C=3N(C2)CC(CC)OCCC3\c4ccncn4 -MOL_01_039856,FC(F)(F)c1cc(ccc1)CNc2nccc(c23)cnc(c3)-c4c(C)noc4C -MOL_01_039857,c1cc(C)ccc1Cc2cc(nc(C)c2)CN(C(=O)N3)C(O)C34CCCCN4 -MOL_01_039858,c1cc(O)cc(O)c1C(=O)C(=C)c2c(cncc2)C(=O)N3CN=CCN3 -MOL_01_039859,Cc1c(F)c(F)ncc1NC(=O)NC2=CC2COc(c3C(N)O)ccc(n3)C -MOL_01_039860,CCc1c(N)cc(cc1)NNc(cc2)nc(F)c2Nc(nn3)c4c3ncc(c45)c5 -MOL_01_039861,c1cccc(F)c1CC(=O)N(NCCC2)CC(=C23)C(C3CN)c4ccc(cc4)\N=C\c5ccccc5 -MOL_01_039862,C1=CN=C(C1=2)C(=N)C(=C(N2)O)CC(=O)c3ccc(cc3)-c(c4C)cc(C)nc4 -MOL_01_039863,c1ccc(CC)cc1CC(=N)C(C2)Cc(c23)nccc3-c4ccc(cc4)NC(=O)N -MOL_01_039864,CNC(=O)C(N)N(C)Cc(c1)c(OC)nc(c12)nccc2Nc(c3F)cccc3Cl -MOL_01_039865,CCCn(c1)ncc1-c2cc(NC)c(nc2)Nc(c3)ncc(c34)ccnc4CC5CCCCC5 -MOL_01_039866,CC(O1)(N)CCc(c2)c1c(CC)c(c23)nc(=N)n4c3cccccccc4 -MOL_01_039867,NCCC(=C1)C12C(=[*])c3c(O)cc(cc3)N(N2)C4CCCC4 -MOL_01_039868,c1cccc(Cl)c1CC(=C)NC2(CCCNO2)C(=O)N(NN3)CCC3C -MOL_01_039869,Clc1c(Cl)ccnc1NC(O)Nc(ccc2)cc2-c(cc3)n(c34)ccnc4N -MOL_01_039870,COc(cc1)ccc1NC(=O)Cc2c(-c3c(F)cc(F)cc3)ncc(n2)OCC(F)(F)F -MOL_01_039871,c1cccc(c12)NCC3=C(CCCC3)C2NC(=O)CCCNCCN(CN)c4cc(F)ccc4 -MOL_01_039872,CCC(C)c1c(CCC=O)c(O)cc(c1)-c(c2)c(N)cc(c23)nc(O)cc3 -MOL_01_039873,c1ccccc1CCC(N)NCc2nc(c(c3=O)c4c23)CCO4 -MOL_01_039874,CC(F)(F)c1ccc(cc1)Nc2ccnc(c23)sc(n3)Nc(c(Cl)c4)c(N)cc4C(C)O -MOL_01_039875,N1CNCC(C=12)=CC(=C2C(=O)C)NC(=O)C(C3)CCc(c34)cccc4 -MOL_01_039876,CC(F)(F)c1cc(C(C(N)CC)NCC)c(cn1)N(CC2)CCN2C=O -MOL_01_039877,CC(F)(F)c1ccccn(ccc1)-c2c(nccc2)NS(=O)(O)c3c(F)cccc3F -MOL_01_039878,Cc(n1)cccc1C(=O)CC2CC(C2)c3ccn(c34)c(ccn4)CC5=CCN(C(=O)C)C=C5 -MOL_01_039879,FC(F)(F)c1cc(ncc1)C(C=O)C(=N)C(Cl)CC2=CC=C(NC2)c3cc(OC)ccc3 -MOL_01_039880,c1cccc(S(=O)N)c1C(=O)Cc(n2)nc3c2c(c34)cc5c4cccc5 -MOL_01_039881,c1ccccc1C(N)(C2[*]CCCN2)C(=C)CCc3c(O)cccn3 -MOL_01_039882,O1NCC1(O)CCc2c(F)c(ncc2)C(OC3)C=C3Nc4ccccn4 -MOL_01_039883,c1cc(ON)ccc1-c2nc(\S=C\O)cn2-c(nc3)ccc3OC -MOL_01_039884,c12c(C1)ccc(OC)c2C(C(=O)C)N3CCN(NC3)Cc4ccccc4 -MOL_01_039885,FC(F)(F)C1(O)CNc(c12)nc(cc2)ONCCCc(cc3)cc(c34)CCC4C -MOL_01_039886,c1nccc(c12)nc(CN)c(c2)C(=O)Nn(nc3)cc(c34)ccc(=O)c4 -MOL_01_039887,c1cc(C)cc(c1CC)NNC(=O)Cc2c(=C)c(nc(c23)=C3)NNCc4ccccn4 -MOL_01_039888,C1=2C(N2)CC(C1)CCc3cc(nc(c34)cccc4)-c(c5)ncc(CN)c5CC -MOL_01_039889,FCC(C)(C)CCc1c(F)cc(cc1)NCCn2cnc(C3=NO3)c2C(=O)NN -MOL_01_039890,C1CC1C2=COC(ON2)C(C)NCc(nc3)n(c34)c(ncc4)NC5=CCCCC5 -MOL_01_039891,CNCCCNCC(C)N(C)C1(c2c(Cl)cccn2)C(=O)CNCC1 -MOL_01_039892,NC1CCN(CC1)Cc2ccn(c23)cccc3Nc(cc4)cc(Cl)c4OCc5c(O)nccc5 -MOL_01_039893,C1CNCCC1c(cc2)cc(c23)ncnc3-c4c(F)cc(Cl)cn4 -MOL_01_039894,c1cccc(c12)cnc(c2)C3CC(C3)Oc(nccc4)c4N(O5)CCCC5(F)F -MOL_01_039895,c1ncccc1C2=CCN(NC2)C(=N)c(c3)ccc4COc(c5c34)ccc(c5)C(C)C -MOL_01_039896,C1=CN1CCCNNCCc2nc(C3=CCCC3)nc(c24)cc(CC)c(n4)CC -MOL_01_039897,C1CC[*](N)CC1(C)c2c(F)ccc(n2)Nc3c(nccc3)OCC(F)N -MOL_01_039898,CC1=CC(=C)N(C1=O)Nc(c2C(=C)OCC)cc(cc2)-c3ccc(cn3)NC -MOL_01_039899,c1ncccc1NCc(c(c2)NC(C)NC)nc(c23)C=CC(C3)CNN(C)C -MOL_01_039900,CC(=O)c1ccc(cn1)CCN(C2)CC(\Cc3ccccc3)=C\C(N)N(C)C4NN(C5=C24)CC=C5 -MOL_01_039901,CC(=O)c(c1c23)ccc3C(=N)C(C(=C)c2ccc1)C4=CC(S(=O)(=O)C)=NC=CC4 -MOL_01_039902,C#Cc1c(C)c(ccc1)C(=CC2)CN(C2=3)CCC(C3)C(=N)Cc4ccc(nc4)-n5cnnc5 -MOL_01_039903,NOc(cn1)cc(F)c1-c(c2=C)ccc(c\2=3)/C=C(\NC)N=C/N=C\C3 -MOL_01_039904,c1cncc(C)c1C(O)(O)Cc2nnc(o2)N(N)C(CC3)CC=C3c4c(F)cccc4 -MOL_01_039905,FC(F)(F)c1cc(c(Cl)cc1)CCC(=O)CN2N(C)N(N=C2C)c3ccccn3 -MOL_01_039906,O=CCC1=CN(NC1)c2ccnc(n2)Nc(cc3NC)cc(CC)c3CC -MOL_01_039907,OCCOCc(c(c12)OCN2)cc(c1Cl)Nc(nn3)ccc3N(C)N -MOL_01_039908,N=CC(O)CCc1c(OCCF)cccc1F -MOL_01_039909,C1C=CCN1CNC(=O)CC(=CC2)C(=O)C(C=23)=CN=C3c4ccc(cc4)NC -MOL_01_039910,c1ccnn(c12)c(cc2)C(NC3)CC(C3=O)NOc4ccccc4 -MOL_01_039911,OC1=C(C)C(=O)C(C)=C(C12)C=C(C=2CC)SCc3cc(C)nc(n3)C4CCCNC4 -MOL_01_039912,FC(F)(F)c1cc(cc(F)c1)-c(ncnn2)c2CCN(C)c(nc3)nc(c34)ccnc4 -MOL_01_039913,CC(C)C(O)C(N)Oc1cccc(c12)ncnc2Cc3cc(Cl)c(cc3)NCc4cccnc4 -MOL_01_039914,O=CCC(C)Nc(c1)cnc(Cl)c1-c(c2)nn(c23)nnnc3 -MOL_01_039915,CN(N)CCCCC(=C1)N(C=C(C)C=N2)C2=C3C=NN(C4=C13)C=C(C)C=C4 -MOL_01_039916,CNC(=O)c1cc(co1)OCC(NC=O)CNc(cn2)cc(F)c2C3=CCOCC3 -MOL_01_039917,c12c3cc(cc2)NC(C(/C=O)=C\1CCO3)SCCC(N)Nc4c(F)cc(F)cc4 -MOL_01_039918,n1ccccc1CC(N)c2ccc(cc2)-c3ccn(c34)c(O)cc(c4)C5=CCOCC5 -MOL_01_039919,C1[*]=CC(C=12)=NC(=C2)S(O)Cc(nnn3)cc3Cc4c(F)nc(F)cc4 -MOL_01_039920,C=C(C)NCCC(=O)Cc(nn1)cc(c12)n(cc2)Cc3c(OC)nc(nc3)C4=NC4 -MOL_01_039921,CC(N)c(c1C)cccc1Oc(ncc2)cc2N(N(C)C=N3)c(c34)cccc4Cl -MOL_01_039922,CC(C)(C)OC(CC1)CCC1C(C(=N)NC)C(N)(O)c2ccc(cn2)OCCNC -MOL_01_039923,COc(cn1)ncc1C(=C2C=O)OCC2c3ccc(Cl)cn3 -MOL_01_039924,CC(F)(F)c1cc(nnc1)-c(cc2)cc(c23)sc(n3)CC(O)CCN -MOL_01_039925,c1cc(Cl)cc(c1CN)NC(=O)Cn(c2=N)c(cccc3)c3c4c2cc(c45)n5 -MOL_01_039926,CC(F)(F)CNC(N)Cc1cc(ccc1)-c(cc2)n(c23)ccc(c3)-c(cc4)nc(C)c4C(F)(F)C -MOL_01_039927,NCCc1ccc(cc1)-n(cc2)cc3c2c(C)cc(c34)nn[n+]4[O-] -MOL_01_039928,c1cccc2c1c(c23)c(cc(N)c3C#N)-c(c4C)c(O)cc(c45)cccn5 -MOL_01_039929,NC(O)c1c(Cl)c(ccc1)OC(C)C(=O)Nc(c2)ccc(c23)oc(c3)-c4ccccn4 -MOL_01_039930,c1cc(Cl)cc(C2=NN2)c1CC(N)c(c3)cnn4n(c5c34)cccc5 -MOL_01_039931,Cc(c1)ncc(c12)cc(-c3ccncc3)nc2C(O)C(CC4)CC=C4c5ccccn5 -MOL_01_039932,Cn(n1)ccc1C(=O)Nc(nc2)ccc2NCc3cc(ccc3)N4CC4CCc5cc(C)cc(n5)N -MOL_01_039933,N=CC1CCC(CC1)c(n2)ccc(=N3)c2=CC34C(=C4)OCC -MOL_01_039934,c12c3c(F)ncc(c3)CC(=O)CC4CCC(CN4)Nc1cccc2 -MOL_01_039935,CNC(=O)c1c(F)cc(cc1)-c(nccn2)c2C3CC(C3)c(c4)ncc(c45)cccc5 -MOL_01_039936,Cc1c(F)cc(cn1)-c(cc2C=N)c(nc2)N(N3)CC3CO -MOL_01_039937,Cc1c(Cl)ccc(c1)Oc(c2)cnc3/C=N\CC(O)c(c4c23)ccnc4 -MOL_01_039938,CCCC(=O)Cc(ccc1)cc1C(C)c2ccnc(c23)cc(OC)c(c3)OC -MOL_01_039939,c1cc(Cl)ccc1C(=O)Cc2cc(nc(n2)NC(=O)C(C)NC)-c(cc3C)cccccnc3 -MOL_01_039940,C1C(=O)CCc(c12)ccc(c2)CNC3CCN(CC3)c4ccc(Cl)c(c45)nc(C)cc5 -MOL_01_039941,N=CCC=1C(C(=O)OC)=CC2=Nc(c3C12)cccc3 -MOL_01_039942,CC(N)C(=C1)N=C(C1=2)CNC(C2)CCc3cc(nnn3)-c4cc(O)ccc4 -MOL_01_039943,c1ccnc(C)c1Cc(cc2)cc(c23)nc4c(cccn4)c3-c5cnc(F)cn5 -MOL_01_039944,CNCCCc1ncc(cn1)C2=NC2N(Cc(c34)cncc3)C(C4)c5ccc(N)nc5 -MOL_01_039945,c1cncc(c12)C(N)C(C2=O)CCCc3nc(no3)-c4ccccc4 -MOL_01_039946,n1ccc(F)cc1CC(=O)Nc2ccc(cc2)-n3nccc(c34)nnc4N -MOL_01_039947,c1cccc(c12)N[*]([*])N2C(=O)CC3CCN(OC3)Cc4c(C)nccc4 -MOL_01_039948,c1cc(F)ccc1C(C(=C23)C(=O)NC)CC(CN3)N2CCCc4ccccn4 -MOL_01_039949,NCc1ccc(cc1)C(=N2)CC(c3ccc(cn3)OC)C=C2COCc4cnnnn4 -MOL_01_039950,OCNCCOCn1ccn(c2N)c1cc(c23)cc(c3)-c(cc4)ccc4C -MOL_01_039951,O=C(O)OC(N)CN(O)c(c(c12)ccc(Cl)c2)n(c1C)CCCNCO -MOL_01_039952,C1NC[*]C1C(N)Nc(c2)c(F)cc(c23)CCC3C4=CC=C(CC4)NN -MOL_01_039953,c1cccn(c12)ccc2CN3C(CCC34)NC(N4)(O)c5c(Cl)c(Cl)cnc5 -MOL_01_039954,FC(F)(F)c1cc(ccc1)Cc2nc(N(CC3)CCC3N)nc(c24)cnnc4O -MOL_01_039955,C1COCCC1CCc2c(Cl)cc(Cl)c(n2)-c3c(Cl)cnc(c3)CC4=CNC(N)CC4 -MOL_01_039956,n1ccccc1C(=C2C(=O)NC)C2c(c3)ccc(c34)ncc(c4)C5CC5 -MOL_01_039957,n1ncccc1-c(o2)cc(c2[*])NC(CO3)CCC3c4ccc(F)cn4 -MOL_01_039958,n1ccccc1NCC(C)C(C2)=CN(c(c23)nccc3)c4ccccc4 -MOL_01_039959,COc1ccnc(c12)C(NN=N2)NC(=O)NC(C=C3)CC=C3C4=CCCCC4 -MOL_01_039960,c1nccc(c2)c1c(O)c(c23)CC(c4ccccc4)=C3c(c5)ccc(c56)OCC6 -MOL_01_039961,CNC(=O)COc(c1)c(-c2ccccc2)c(C)c(c13)n(cc3)-c4ccccc4 -MOL_01_039962,c1cc(ON)ccc1Cc2c(-c3cc(C)nc(C)c3)cc(cn2)CC4CCC(N)CN4 -MOL_01_039963,FC(F)(F)c1cccc(n1)Cc(cc2C(F)(F)F)nc(c2)N(CN3)CC=C3C4C=NCC4 -MOL_01_039964,c1ccccc1CC(N)C(=N)N2C=CN(CC2)c(cc3)ncncnc(CN)c3CC -MOL_01_039965,CNc1cccc(NC)c1C(=O)NCc2c(-c3ccccn3)ccc(c24)ccnc4 -MOL_01_039966,FC(F)(F)c1ccc(cc1)CCC(=O)Nc(nc2)cc(c23)n(C)c(n3)-n4ccnc4 -MOL_01_039967,c1cc(O)ccc1-c2cc(C(F)(F)N)cc(c23)ccc(n3)C4=CCN(C)CC4 -MOL_01_039968,Cc(c1)cnc(c1C)Nc(c2C#N)c(ncn2)-c(c3)ccc(ON)c3CC -MOL_01_039969,c1cccc(NC)c1-c(on2)cc2C(=O)C3CCN(CC3)c(c4)ncc(c45)C5 -MOL_01_039970,CN(C)CC1C(C)CCN(C1)C/C=C/c2ccc(cc2)Cc3c(CN)nn(c34)c(C)cc(c4)N -MOL_01_039971,CC(C)(C)OC(C)NNc(nc1)ccc1-n(c2OC)nc(c23)nccc3 -MOL_01_039972,CCNc1ccc(F)n(c1c23)c2cnc4c3cc(=O)c5c([nH]4)cnc(n5)C -MOL_01_039973,O=C(O)c1c(O)ccc(F)c(c(Cl)cc(c1)C2CC2)C(C3)CN(C34)NCCC4 -MOL_01_039974,COc(cn1)ccc1Cc2c(-c(cc3C)nc(n3)C)nc(cn2)CN4CCCC4 -MOL_01_039975,FC(F)(F)c1cccc(n1)NNNC(CC)NCCC(=C2)CCc(c23)c4n(c3)cncc4 -MOL_01_039976,c1ccc(Cl)cc1CN(c2c(C3)nccn2)C(=O)CCC(=O)NCc(c34)cccc4 -MOL_01_039977,n1ccc(Cl)c(F)c1C(c2cnccn2)C(=O)CCC3=CC=C(CC3)CONC(N)O -MOL_01_039978,c1ncccc1CCc2cc(ccc2)-c(n3)c(Cl)ccc3CC4CNC(O)CN4 -MOL_01_039979,C1C2/C=C\N(C(O)O)\C(O)=c(/c3=C1\2)cc(F)c(c3)C4CCN(CC4)c5ccccc5 -MOL_01_039980,C1CN1C(=O)Cc(nnc2)cc2Cc3ccc(c(n3)C)NC(N)Cc(cc4C(F)(F)F)nc(F)c4 -MOL_01_039981,CC(C)Cc1ccc(cc1)C2=CC=C(C\2=3)CC(=O)C4=C(C(\N3)=O)C5CC4CC5 -MOL_01_039982,c1ccccc1C(=O)c2ccc(nc2)C(=O)N(C)CC(N)Cc3cc(F)ccc3 -MOL_01_039983,NC1CCCn(c12)nc(c2)-c3cccc(c34)ccc(c4)NC5CNCCN5 -MOL_01_039984,N1ON=C(CC)N(C=12)C(=CC=N2)CNCN(NC3)CC=C3c4ccccn4 -MOL_01_039985,C=CCc1ccc(F)c(n1)C2(COC)CCNCC(N)N2 -MOL_01_039986,c1nnccc1C2=CC(C(=C2)c3ccccn3)c4cncc(c45)ccnc5 -MOL_01_039987,c1nccc(c12)C/C=C/C=C(\C=C\2)NC(=N)c3ccc(cc3)Nc4ccnc(c45)cnc(c5)C(C)C -MOL_01_039988,Cc1ccc(cc1)C2CCN(CC2)C(=N)CNc(c3)ccc(c34)ncn4CCN -MOL_01_039989,O1CCN(C(=O)O)c(c12)nccc2N3CNCCN3 -MOL_01_039990,c1ccccc1C(NC2)N(C(=O)c3c(ON)cccn3)CC2c4ccccc4 -MOL_01_039991,c1cc(Cl)ccc1CC(=N)Cc2cccc(n2)-c(cn(c34)ccn4)nc3NCc5ccncc5 -MOL_01_039992,N#Cc1ccc(cn1)-c(c2)cc(N3CCCNC3)n(c24)ccc4-c5ccc(F)cc5 -MOL_01_039993,NC(=O)CNCCc(cc1)cc(c12)n(NC(=N)NC)c(C)c2Cc3cccnc3 -MOL_01_039994,O=C(O)c1cc(ncc1)C2=CCC=C2c3c(cncc3)OCc4cc(Cl)c(Cl)cc4 -MOL_01_039995,Cn1cnc(c12)c(cnc2C=O)Cc3cccc(n3)Cl -MOL_01_039996,c1nc(F)ncc1CNC(O)c(c2C(F)(F)C)c(C)c(=O)n(c2)Cc3ccccc3 -MOL_01_039997,FC(F)(F)Cc1ccc(cc1)NN2N(CC(F)C2=O)c3c(NC)cncc3Cl -MOL_01_039998,n1cc(F)ccc1CNc2nc(C(C3)Nc(c34)cccn4)cc(c25)cccc5 -MOL_01_039999,C1=CC=CN(C1=2)C(=C)C(c(cn3)ccc3CC)=CC2OCCN -MOL_01_040000,C1NCCN=C1C(N)c2ccc(cc2)-c3cc(ncn3)-c4cc(F)ccn4 -MOL_01_040001,c1cn(C(=O)N)cc(c12)nc(n2)-c(cc3)ccc3C(O)c4c(Cl)cc(Cl)cn4 -MOL_01_040002,COc1ccc(nc1)NC(=C)Cc2ccc(nc2)C(C)C3=C(C)NCC3O -MOL_01_040003,COCC(CCC1)C1C(O)(O)c2cc(C=O)c(cc2)N(C=O)Cc3ccn(c3)-c4ccc(cc4)OC -MOL_01_040004,CC(N)(O)CC(O)c1cc(ccc1)Nc2c(Cl)cc(cc2)Nc(ccc3)n(c34)c(nc4)CCC -MOL_01_040005,CC(N)CC(O)N(CC1)CCC1c(n2)cc(nc2C#C)-c3ccc(cc3)Oc4ccc(F)nc4 -MOL_01_040006,CC(C)Oc(c1)ncn(c12)cnc2-c(n3)cccc3CCNCO -MOL_01_040007,c1cc(Cl)cc(Cl)c1CC(C([*])OC)NC(=O)n(n2)ccc2-c3cc(NN)ccc3 -MOL_01_040008,C1NN(C)NCN1Cc(nc2)nc(c2-c(nn3)cc(Cl)c3C)-c4ccccc4 -MOL_01_040009,n1ccccc1-n(n2)c(NC=O)cc2C(O)N3CCCCC3CC -MOL_01_040010,c1ccc(c12)c3c(c(c2C)CC(F)(F)C)cn(cc3)-c(cccn4)c4C5CC(O)C(C5)O -MOL_01_040011,Cc(n1)c(F)ccc1C(=O)Cc(n2)c(C(CN3)CCC3C)ccc2C(=O)OC -MOL_01_040012,c1cc(N)c(C=N)c2C(c(c3c12)cccc3)Cc4ccccn4 -MOL_01_040013,c1cc(O)ccc1-c(c2)c(-c3ccncc3)n4CNc(c5c24)cccc5 -MOL_01_040014,CC(C1)CON(C=12)C(=CC=N2)NC(=O)c3c(CC)cc(c(Cl)c3)CNOC -MOL_01_040015,N=CC(=O)Cc1cc(ccc1)-c2ccc(nc2)NC(=N)Cc3cc(Cl)c(N)cc3 -MOL_01_040016,CC(=O)c1cc(ccc1)-c(c2C(O)C(C)N)cn(c2)-c3ccccn3 -MOL_01_040017,Clc1ccc(nc1)NC(=N)CCC(=CC2=O)N(N(C2=3)C3)c(cc4)ccc4C -MOL_01_040018,CCc(cc1)cc(OC)c1\C=C\C(=O)CC(=O)/C=C/c2c(OC)cc(nc2)OC -MOL_01_040019,Cn1ccnc1C(CC2C=N2)c3cnc(cn3)CCc4cc(ccc4)-c5c(Cl)nc(Cl)cc5 -MOL_01_040020,CCCC(=O)c(nc1)cc(c12)C(O)=C(C2=O)CCC -MOL_01_040021,O=CNc1c(cc(c12)n2)-c(nc3N)cc(O)c3CC -MOL_01_040022,CC(C)=CCNC(=O)CC(C(C)N)c1cc(cs1)-c(c2)oc(C)c2C(=O)OC -MOL_01_040023,n1cc(Cl)ccc1C(CCN2)N(C2=C)CCNCNC3=CC=CN(N34)C=C(Cl)C=C4 -MOL_01_040024,c1cnccc1CC2(N3)C=3C24N=C5N(C=N4)C=CCC5 -MOL_01_040025,CCc(c1)ncc(NC)c1CC(=O)C2(C)C(NN2)Cc3c(OC(F)F)cccc3 -MOL_01_040026,CCC(C=C1)=CC(=C2O)N1C=C(C3)C2=C(C)N4C=3NCNNCCCCC(C4=5)C5 -MOL_01_040027,c1c(F)ccc(c12)nc(n(c2=[*][*])CC(C)N)SCC(=O)CC3CC3 -MOL_01_040028,n1nc(N)ccc1CC(Nc(c2C=C)cccc2)c3cc(c(CN)nc3)CNc4ccccn4 -MOL_01_040029,O=CC12c3c1c(CN)ccc3C(C)=C2C -MOL_01_040030,FC(F)(F)c1cc(ncc1)C(C)Cc(c2)nnc(C)c2-c(cc(N)c3O)cc3N4CCOCC4 -MOL_01_040031,c1ncccc1CCc(c2)c(c3c[nH]c4CC3)c4c(c25)ncc5C6CCOCC6 -MOL_01_040032,CNC(=O)c1cc(ccn1)-n2nc([nH]c(ccc23)cc3)Nc(c4)ccc(F)c4C(F)(F)F -MOL_01_040033,NCOC(N)C(CC1)CCC1C(=C)N(NC2)CCC2Cc3c(N)oc(n3)-c(c4C)cccc4 -MOL_01_040034,c1ncccc1CC(=N)Cc2ccc(nc2)-c(n3)cn(c34)ncnc4 -MOL_01_040035,c1cccc(OC)c1Cc2cc(nc(n2)C)CC3CCC(CN3)c4c(F)nccc4 -MOL_01_040036,n1cc(N)ccc1-c(cc2)c(F)c(c2CCCC)Nc(nc3)ncc3-c4ccc(N)nc4 -MOL_01_040037,CCC(=O)N(CCO1)Cc(c12)cc(cc2CC)-c3c(OC)ncc(F)c3 -MOL_01_040038,NCNC(=O)C1CC(CC1)c2c(NCCNC)ccc(n2)-c3ccno3 -MOL_01_040039,c1nc(F)ccc1C(=O)Cc(cc2)cc(c23)N(NCC3)C4=CCC(N)CC4 -MOL_01_040040,C1NN=C(C1=2)OC(=NC2)c(cc3C(=O)N)c(cc3)NCc4ccccn4 -MOL_01_040041,c1ccccc1-c(nc2)ccc2C(=O)Nc(cn3)ccc3C4=CC=C(CC4)NC -MOL_01_040042,CC1(N)CC(CC1)c(ncc2)cc2Cc3cc(cn(c34)ccc4)-c5ccccc5 -MOL_01_040043,c1ncccc1CC(=O)N(CN2)NCC2Cc3cccc4Cc(c5c34)ccc(C(F)(F)F)c5 -MOL_01_040044,Nc1cccc2nc(c(c3c12)cnc(n3)F)Nc4c(F)cc(F)nc4Cl -MOL_01_040045,c1cc(Cl)nc(c1CC)NC(=O)C2=NC=C(NC2)c3c(Cl)cnnc3 -MOL_01_040046,CC(C)c1ccc(cn1)CC2=CN(CCC2)C(O)c3nc(ccn3)C(C4=N)CCN4 -MOL_01_040047,C=12N(C1)C=CC(=C2)CCc(n3CN)cnc3C(CC)CCNC(O4)=C4c(cc5)ccc5CC -MOL_01_040048,c1nc(C)nc(O)c1-c2cc(cc(n2)C3=CCOCC3)Nc4ccccccccc4 -MOL_01_040049,FC(F)(F)c1cc(c(cc1)OC)NNc(c2NC)cnc(c23)nc(C)nc3C -MOL_01_040050,c1cccc(N)c1NC(=O)c(c2)ccc(=C3)c2=C(N4C(C3=5)C5)CC(C)CC4 -MOL_01_040051,CCC(C(Cl)N)CCCNc(cc1)ccc1-c2ccc(nc2)-c(c3)cn(c34)nc(nc4)OC -MOL_01_040052,C1CC1(C(F)(F)F)CNc2c(ccc(F)c2)Nc3ccnc(c34)c5c(cc4N)NCN=CO5 -MOL_01_040053,C1COCC=C1CC2=CNC(CC2)c(c3)c(cc(c34)noc4)C5CCCNC5 -MOL_01_040054,C1=CC1NC(=N)c2cc(c(F)cc2)Nc3cncc(c34)n(nc4)-c5ccc(F)cc5 -MOL_01_040055,CNC(C)CNC(=O)c(c1)nn(C)c2nc(c3c12)cccc3 -MOL_01_040056,c1cc(CN)nc(c12)CNCC(c3cccnn3)=C2c(cc4)ccc4C -MOL_01_040057,O1OCOCN1NNC(=N)Cc2n(C(=O)OC)nc(c23)ccc(Cl)c3 -MOL_01_040058,c1cccc(c12)CCCC2N(C)Nc(c3)n(c(c34)cccc4)OC5CCNC5 -MOL_01_040059,c1cccc(c12)cccc2Nc3cc(cnc3)N(C4N)N(N)C=c(c=45)cc(Cl)cc5 -MOL_01_040060,C=c(c1)cc(C)c(c12)=CC(NC(=S)N)=C2Cc3cccc(c34)ccnc4 -MOL_01_040061,CC(=O)CN(C1=C)C(=O)C(N1)Cc2ccccc2 -MOL_01_040062,C1NNC(CO)C1CCNOc(c(c2)OC)cc(c23)ccnc3Nc4ccc(Cl)c(Cl)c4F -MOL_01_040063,CNCC(O)c1cc(nnc1)-c(s2)cnc2Cc3cc(ccn3)C(CC4)CCC4C -MOL_01_040064,n1ccccc1CNC(C)N(NN2)NCC2c3ncnc(c34)ccc(Cl)c4 -MOL_01_040065,c1nnccc1-c(cccc2)c2C(=N)C(C3)CC(C34)CC(C4)c(c5)ncc(c56)nccc6 -MOL_01_040066,n1cccnc1NS(=C)(N)CC2c(nccc3)c3Cc(c24)nccc4 -MOL_01_040067,n1c(Cl)ncc(c1C)NNC(O2)C2CCCc3cc(C4=CCCCN4)nc(n3)N5CCOCC5 -MOL_01_040068,c1cccc(c12)NN(C2)CCN(C3=O)CNN3c4ccn(c45)ccnc5 -MOL_01_040069,NCc1c(OC)ccc2NNCCC(O)NCc(c3c12)cncc3C -MOL_01_040070,CCNCC(=N)NC1=NCN(CC1)CCN(NC2)CCC2c(ccc3)c(c34)NCC4 -MOL_01_040071,c1ncccc1N2CN2NC(=O)C(CC3)CCC34CC(O)N5N(O4)N=CC=C5 -MOL_01_040072,CCCCn1nncc1C(c2cncnn2)C3CCCN(CC3)Cc4ccc(F)cc4 -MOL_01_040073,c1cccc(F)c1NC(C(N)N2)=C(N)\C2=C\c3c(cccc3)OCC(N)Nc(nc4)ccc4F -MOL_01_040074,c1ccccc1CCC(=O)n2cncc2NC(=O)c3c(NC)cccc3OC -MOL_01_040075,n1ccncc1C(CNCO)C2=CCN(NC2)c(c3F)nccc3 -MOL_01_040076,n1cc(Cl)ccc1C(=C)Nc(cnc2)cc2-c(cc3)cn(c34)c(C)cn4 -MOL_01_040077,COc(c1)cc(CC)cc1C(=O)Cc(nccc2)c2C(O)C3=CCCC3 -MOL_01_040078,Clc1cccc(Cl)c1Nc(c(c23)ncc(c3)CC)cnc2-n4ccnc4 -MOL_01_040079,c1cccc2nc(NCC(C)(C)NC)c(c3c12)ccccccn3N -MOL_01_040080,N1CSCC=C1C(=O)c2cnc(nc2)NCc3c(ncn3C)-c4cc(F)ccc4 -MOL_01_040081,c1nc(O)cc(O)c1C(N)C2CCNc(c23)cc(CO)cc3 -MOL_01_040082,NN1CCCC(=C1C)NC(=N)CC(O)Nc(c2C)nc(o2)-c3c(F)cccc3 -MOL_01_040083,n1cc(F)ccc1C(N)Cc(cc2)cn(c23)nc(n3)-c4cccnc4 -MOL_01_040084,Cc1nccn(c12)c(CCCN)cc2-c3ccc(cc3)NC4CCCC4 -MOL_01_040085,c1ccc(N)cc1NCC(N)Cc(c2)cnc(c23)nc(cc3)CC4CCNC4 -MOL_01_040086,c1ccccc1N(OC(C(F)(F)F)=C2C#N)C=C2SCc3nc(C)nc(n3)C4CCOCC4 -MOL_01_040087,N1NCCC([*]1[*])Nc(n(c2C)C(=O)ON)c(c23)cccc3 -MOL_01_040088,c1ccccc1C(C)Nc(cc2)cc(c23)n(cc3C)-c(cnc4)cc4N5C=N5 -MOL_01_040089,CNC(CN)CCCc(c1c(n2)cc(Cl)cc1)c(c3)n2c(c34)cccc4 -MOL_01_040090,c1cc(C)nc(C)c1CC(=O)NC2C(=O)C(=CC2(C)C)c3ccc(F)nc3 -MOL_01_040091,Clc1c(=O)nc(N)n(c1)C(C2)C(C)C(C)=C2CCCN3C=CC=CN3c4ccccc4 -MOL_01_040092,COc(c1)nc(F)c(c12)ccc(Cl)c2CNC3CCC(CC3)NCc(cc4)nc(c45)OCCO5 -MOL_01_040093,o1cccc1CCCC(=O)CCc(nc2)n(c23)c4c(CCC3)cccc4 -MOL_01_040094,c1ccccc1CC(=N)Nc(nc2)ccc2Oc3nccc(c34)nc(ON)c(c4)CC -MOL_01_040095,c1cccc(c1=2)=CCC2NC(=C\O)\c3c(cccn3)Cc4ccc(nc4)OC -MOL_01_040096,Cc1ccc(cc1)Oc(nc(C)cn2)c2C(CO)C3CCN(NC3)c4ccc(F)cc4 -MOL_01_040097,CC(C)(C)c1ccc(cn1)-c(n2)cnc(c23)CCC(=O)C3CCC4CCOOC4 -MOL_01_040098,Cc(c1)ccc(c12)c(O)c(N)c(c2C)C(=O)NCc(c3)cnc(c34)CCC4 -MOL_01_040099,C1CCCCC12C(C2)C(=O)NCc3cnc(c(c34)cncc4)-c5cc(OC)ccc5 -MOL_01_040100,c1cccc(c12)oc(n2)NCNNN(CN3)CCC3(O)c4ccc(Cl)nc4 -MOL_01_040101,c1ncnc(c1C(F)(F)F)NNN(C2)N(C)C=C2c(cc(C)c3)c(c34)CC4=N -MOL_01_040102,n1nccnc1CCC(O)c2cc(nc(c23)cccc3)Nc(cc4)c(NC)cc4CN -MOL_01_040103,CCC(=N)c1cccc(c12)c(c3c(c2)cccc3)Nc(c4)cnc(c45)NC(C)C5N -MOL_01_040104,C1CC=CC=C1NCC(N)c(cc2)cc(c23)oc(n3)Cc4cc(Cl)ccc4 -MOL_01_040105,c1occc1C(=N)Cc2cc(ncc2)-c(cc3)ccc3-c(c4)cn(c45)nc(F)cc5 -MOL_01_040106,c1cc(F)ccc1NC(=O)c2cc(Cl)c(nc2)N(CN3)CCC3c4ccncc4 -MOL_01_040107,CCC(=O)Nc(ccc1)cc1Cc(c2)ncc(c23)nc(C)nc3C4CCCC4 -MOL_01_040108,CCc(c1)c(ON)cc(/c1=2)=N/C=C\C=N/C2/Cc(cccc3)c3Cc4ccccn4 -MOL_01_040109,c1ccccc1C(C)(C)C(=O)C2=CC=C(NC2)c(cc(c34)ccnc4)cc3NCCC -MOL_01_040110,n1cncc(c1C(=O)N)Nc(c2Cl)nc(cc2)Nc3ccc(nc3)C4CCONC4 -MOL_01_040111,c1cccc(c12)ccc(c2)NC(N(C3=4)C(=C)C=CN4)=CC(=C3)CN5C=COCC5N -MOL_01_040112,C1NCCCC1C(CN2)=C[*]=C2CCCNN(C(S3)=C)c(c34)nccc4 -MOL_01_040113,FC(F)(F)c1ccc(cc1)Oc(c2CNCC)c(F)c(cc2)-c(cn3)ncc3C -MOL_01_040114,O=CC1CCC(NC1)c(n(n2)C)nc2-c3c(Cl)c(Cl)ccc3 -MOL_01_040115,N1CON=CN1C(=O)N(C2NNC=CO2)CC(O)Cc3cc(F)cc(n3)F -MOL_01_040116,c1cccc(c12)N(C(N)C=C2)CC(C3)Cc(c34)ccc(c4)-c5cccnc5 -MOL_01_040117,CC(=O)Nc(c(Cl)c1)cc(O)c1C2=C=C2NC(CCC3)CC3Cc4cccnc4 -MOL_01_040118,n1cc(Cl)ccc1-c(cc2C(C)O)cc(c23)nc(Cl)cc3 -MOL_01_040119,CC(F)(F)c(cc1)nc(c12)CCC(C2)C(=O)CCCNc(ncn3)nc3Cc4c(F)cc(F)cn4 -MOL_01_040120,c1cccc(c12)N(N(C2)CCC)C(S(=O)=C)Cc3ccc(F)cc3 -MOL_01_040121,c1cc(ON)ccc1NC(=O)C2CC(CCC2)c(s3)nn(c34)c(=O)cc(C)c4 -MOL_01_040122,NOCCN(C)Cc1ccc(cc1)Nc(cc2)nc(c23)ccc(c3)-c4ccccn4 -MOL_01_040123,NC(=O)c1ccc(cc1)Cc2cccc(c23)c(C45C(C4)C5)cc(c3)-c6cncs6 -MOL_01_040124,n1ccccc1N(C)CNC(=O)c2ccc(nn2)N(CC3)CCC3C(N)c(c4C(F)(F)F)cccc4 -MOL_01_040125,CNNC(N1)=CC(=O)C(C=12)=CN=C2c3c(Cl)cccc3 -MOL_01_040126,c1nccc(c12)sc(n2)NCCc3ccc(nc3)NC4CN(C=CS4)c5ccc(cc5)OC -MOL_01_040127,n1ncncc1CNc(c2)cc(-c3cc(O)ncn3)cc2C4=CCOC=C4 -MOL_01_040128,Cc1cc(ccc1)-c(cc2)cc3c2Oc(c4C35CC(N)=CC5)ccc(c4)-c6c(N)nccc6 -MOL_01_040129,NC(=O)n(c1)ccc(c12)nc(c2)-c3ccc(cc3)S(C)c(nc4)ccc4Cl -MOL_01_040130,CCc1c(CN)ccc(c1)Cc(c(c2)-c3cccs3)nc(c24)cccn4 -MOL_01_040131,c1cccc(c1c23)c2nc(-c4cccnc4)nc3-c5ccncn5 -MOL_01_040132,CC(C)Cc1c(CC)cc(cc1)C(C(CC2)CN(C)C)n(c23)cc(n3)O -MOL_01_040133,C1CC(=O)Nc(c12)ccc(c2)OCC(C)Cc3ccc(nc3)-c4ccccc4 -MOL_01_040134,N=Cc(c1=O)cn(CC=C)c(c12)ccc(n2)[N+]([O-])=O -MOL_01_040135,Fc1ncc(C)c(F)c1C(O)c2ccn(c2)-c(ncn3)cc3NS4=C=N4 -MOL_01_040136,FC(F)(F)c1c(Cl)c(ccc1)C(O)C(N2)NCN(C=23)N(N=N3)CCCC -MOL_01_040137,N#CCN1C=CN(C=C1)c2c(C)cnc3cnc(c4c23)cc(F)c(c4)-c5ccccc5 -MOL_01_040138,c1cc(Cl)ccc1C(C(C2)=N)=C(O)\C2=C\c3ncc(cn3)OCc(nc4)ccc4C(O)O -MOL_01_040139,CC(F)(Cl)Cc(cc1)ccc1CC(=C)c2cc(c(nc2)C3CC(C3)O)-c4cccnc4 -MOL_01_040140,FC1(F)CCC(CC1)c(cccn2)c2CC3CN(N3)c(c4)ccc(c45)ncnc5 -MOL_01_040141,c1ccc(N)c(nc2)c1c3c2c(CCCC)cc(c34)oc(n4)Nc5cccnc5 -MOL_01_040142,c1nc(C)ccc1C(C)(O)Cc(cncc2)c2C(N)Cc3ccc(cn3)N4C=COCC4 -MOL_01_040143,C1=CC(CO)N2C1n(c23)cccnccc3O -MOL_01_040144,CC(N)COc(ccc1F)c(F)c1CCc2c(N)ncc(n2)-c3cc(F)c(F)cc3 -MOL_01_040145,c1cc(C)cc(N)c1CNCC(=O)c2ccc(cc2)-c(c3)nc(c34)cccn4C -MOL_01_040146,Cc1cc(C)n(c1)-c(nc2)ccc2C(=O)N3CCN(C=N3)c4ccncc4 -MOL_01_040147,NCc(cn1)cc(c12)cc(CCC(=O)N(C)C)cc2-c3ccccc3 -MOL_01_040148,c1cccc(c12)CN(C)C2C(=O)CC3CCN(CN3)Nc(cc4Cl)nc(Cl)c4 -MOL_01_040149,N1CC1Cc(c2C#N)ncc(c2)-c3cc(ncc3)Nc(cn4)ccc4CC5CCCCC5 -MOL_01_040150,c1nnccc1-c2cc(-c3ccc(Cl)cn3)cc(c2)C(CC4)CC=C4c5ccnnc5 -MOL_01_040151,Cc1ncc(cn1)-c2nc(nc(c23)CCC3)N4CCCNC4 -MOL_01_040152,c1cc(F)cc(F)c1-c2cc(C(N)O)c(N)c(c23)cc(F)c(c3)C4CCN(NC4)NCCC -MOL_01_040153,Cc(c1)ccc(c12)nc(cc2NC(C)(C)CN)CNCCc3c(C)cc(N)cc3 -MOL_01_040154,c1ncc(F)cc1Cc(c2C(C)N)cn(c2)C3(CC#N)C=CC(=CC3)Cc4c(C)cccc4 -MOL_01_040155,c12c(c1)nc(c2C)-c3cc(N)nc(n3)-c(o4)ccc4C -MOL_01_040156,N#Cc1ccc(cc1)Cc2cncn2CNC(Cc(c34)cccc3)C(N)=C(C4)c5ccccc5 -MOL_01_040157,[*]C[*]Cc1cnn(c12)cc(nc2C)NC(=N)NC(C)c3ccncc3 -MOL_01_040158,c1nc(Cl)ccc1NC(=O)Cc2c(cccc2)NC(O)C(=C3)C=C(C3=4)CNN(C)C4 -MOL_01_040159,c1cncc(c1C([*])C(F)(F)F)-c(cccc2)c2-c3ccn(n3)CCNO -MOL_01_040160,CC(C)C(O)c(c1)cc(c12)cn(cc2)Cc3cc(ccn3)-c(n4)cncc4CCC(F)F -MOL_01_040161,Cc1c(F)cc(nc1F)-c(cncc2)c2-c3ccc(cc3)N4CCCNC4 -MOL_01_040162,c1ccccc1C(N)Cc2cc(-c3ccccc3)nn2-c4ccccn4 -MOL_01_040163,C1CCC(C)(CO)N=C(C12)N=CC=2C3(CC3)c4ccc(cc4)-c5ccnnn5 -MOL_01_040164,n1cc(O)ncc1CCNCCCCCc2c(Cl)c(N)nc(c2)-c3ccc(Cl)nc3 -MOL_01_040165,Fc1cccc(c1C)Nc2nc(c3n(c24)ccc4)ccc(c3)C5C=C5N -MOL_01_040166,c1cccc(c12)cnc(c2O)CCC(O)Cc3cc(cs3)-c(c4)ccc(ON)c4CC -MOL_01_040167,c1ncccc1C(O)CCC2=NC(c3ccccc3)=CN(N24)N=NC=C4 -MOL_01_040168,c1ccccc1CCC(N)c(c2)sc(c23)c4c(cc3)ncc(C(C)N)c4N -MOL_01_040169,c1cccc(c12)CCC(C2)C(=N)Nc(n3)sc(c34)cccc4N -MOL_01_040170,FC(F)(F)c1cc(ccc1)C2C(=N)SC(\C2=N)=N/c3cc(cnc3)OCC(C)O -MOL_01_040171,c1c(Cl)cnc(c12)c(n(c2)C(N)O)NCCNc3cccc(c34)cccc4 -MOL_01_040172,N#Cc1cc(ncn1)-c(c2CC(C)C)nc(s2)Cc3ccc(F)cn3 -MOL_01_040173,n1c(Cl)ccc(c1CC)-c2ccnc(c23)cc(C4OO4)cc3 -MOL_01_040174,C1CC(C)C=CC1C(=O)c(c2)nn(C)c(c23)cnc3 -MOL_01_040175,CCC(=N)c1c(cccc1)-c(nc2)ccc2CNc(nccc3)c3NC(=O)CCC -MOL_01_040176,c1cc(N)ccc1C(C2)=CC(\C=23)=N\C=C(\[H])C(\c4cccnc4)=NC(=C\3)\c5ccccc5 -MOL_01_040177,NCCCC(=O)Nc(cc1)ccc1CC=2C(O)C(=N)C(C23)=CC=C3CSC -MOL_01_040178,OCC(CO)OCn(cn1)c(c12)ccnc2CCc3cccnc3 -MOL_01_040179,n1c(F)cccc1-c(nccc2C(=O)O)c(nncc2)-c3ccccc3 -MOL_01_040180,CC1(C)CC(C)=CN1c(n2)cc(C)nc2COCc3nc(C)nc(n3)C(C(C)C4)N=C4C -MOL_01_040181,c1ccccc1CC(=N)Nc2ccc(cc2)Nc3c(cnc(n4)CC)c4cc(c35)cncc5 -MOL_01_040182,c1cnccc1CCCCc(n2)ccc(c23)nn(c3)-c(ncc4)cc4CNc5cccnc5 -MOL_01_040183,FC1CCCN1CCCNC(=O)c2c(NC3C=CCC3)nc(nc2)CCCc4ccc(nc4)OC -MOL_01_040184,n1ccccc(ON)c(CC)cocc(c12)n3c(cc2)ccnc3N -MOL_01_040185,c1ccnc(c12)CCc3c(nccn3)C/2=C\CCC(N)Cc4ccccc4 -MOL_01_040186,Cc1cc(ccc1)-c2cc(-c3c(Cl)nccc3)nc(c2)-c4cnnc(n4)N -MOL_01_040187,c1ccccc1CC(=O)CC(O2)(C)NC(C)NCc(c23)nc(cc3)OC -MOL_01_040188,N1CCCC=C1C(O)Nc(cc2)n(c23)cc(cn3)-c(cc4)ccc4C -MOL_01_040189,Cc(n1)cccc1Cc(c2C)c(O)nc(c23)cc(c(Cl)c3)OCN -MOL_01_040190,c1ccc(F)cc1C(=O)N(CC2)CCC2CNC(CC)c3ccccn3 -MOL_01_040191,c1nnccc1NC(=N)Nc(cccn2)c2C(=C(C3)CN)CC(C3=4)C4 -MOL_01_040192,NCCNCCc(cn1)ccc1C(=O)N2C=C2CNCc3ccnc(c34)cc(Cl)cc4 -MOL_01_040193,O1COc(c12)ncc(c2)/C(/C=C(\C)/C(N)=N\C=C\3)=C(\C)CCCNNc(cc34)sc4 -MOL_01_040194,c1nncc(OCC)c1N(CC2)C=CC2C(=O)n(n3)ccc3CC4CCCCC4 -MOL_01_040195,c1c(Cl)c(C)cc(OC)c1C(=O)NCC2=CCN(NC2)Cc3ccccc3 -MOL_01_040196,NCCC1=NC1c2c(F)cc(cn2)-c(c3C)cc(cn3)-c4ccn(c4)CC -MOL_01_040197,c1cnc(N)cc1Cc2c(C(C)(C)C)ccc(c2F)-c(nn3)ccc3C -MOL_01_040198,c1cc(F)ccc1C(C)CC(=O)Nc(nc2)cn(c23)ncc3CC(=O)OC4CCCC4 -MOL_01_040199,OCc1cnc(o1)-c2cc(Cl)c(nc2)C3CN=CCN3 -MOL_01_040200,c1ccccc1Cc2cc(cc(F)c2)N(C3=O)C(O)c(c34)cncc4 -MOL_01_040201,n1ccccc1CCc(c2C(CO)CCCO)nc(Cl)c(n2)Cc3ccc(nn3)NC -MOL_01_040202,C1[*][*]C1N(CC2[*])CNN2C(=O)c3ccc(cn3)NN4CCCCC4 -MOL_01_040203,CC(C)(C)OC(=N)C1C(NCC1)c2ncc(o2)SCc3c(F)cccc3Cl -MOL_01_040204,c1ncccc1NC(=N)c2nc(-c(o3)ncc3N)nc(c24)cncc4 -MOL_01_040205,c1nc(CN)ccc1CCCN(CC2)CC=C2c3nc(O)nc(c34)cccc4 -MOL_01_040206,c1c(N)nc(C)c(cc2)c1c3c2CC(=N)Cc4ccc5cc(N)c(c6c5c34)ncc(C)c6 -MOL_01_040207,c1ccccc1-n(cn2)cc2C3(CCC3)c4ccc(cc4)-c5ccc(N)nc5 -MOL_01_040208,CCNc(cnc1)ccsc(c1-c(cc2)ccc2C)N3C=CC=CN3CN -MOL_01_040209,[*]1CNCc(c12)nc(cc2)CC(=O)c3c(N)nn(c3)-c4ccncc4 -MOL_01_040210,C1CCCCC1CNCCc2c(c3cc(c24)nncc4)NCc5cc(ON)c(cc5)/C=C\3 -MOL_01_040211,C1C/C=C\N=C(/C=C\1OC)NCNC(=O)c2cc(c([nH]2)O)-c3ccc(nc3)OCC -MOL_01_040212,Cc(c1)nc(C)n(c12)cc(n2)C(=N)NCCCc3c(C)c(ccc3)-c(cc4)ccc4C(C)(O)O -MOL_01_040213,FC(F)(F)c(c1)ccc(c12)N(CC(C)(C)C2)CC(=O)Nc(cc3)cc(c34)NC(=O)NC4 -MOL_01_040214,c1c(N)c(C)c(C(C)C)c(c12)n(cc2C)Cc3ccccn3 -MOL_01_040215,c1cc(C(N)(N)N)cc(c12)nc(-c3ccccc3)c(c2)Cc(nc4)ccc4CN -MOL_01_040216,C1CC(C2)CC(C12)C(=O)NN(C#N)Cc3c(F)cc(cn3)-c4ccn(c45)cccc5 -MOL_01_040217,CC(=O)Nc(c1)ccc(c12)ncnc2Cc(cn3)cc(Cl)c3CCc4cc(F)ncc4 -MOL_01_040218,C1=CC=CN(N12)N=CC(C(O)CCC)=C2Cc(cc3)ccc3CCCCC4CCNCC4 -MOL_01_040219,n1c(F)cccc1-c(nc2)nc(c2CN)/C/3=N\C=N/NCC(N)/N=C\3 -MOL_01_040220,CCCNC(O)CCc(c1C)c(C)cc(c12)n(nc2C)-c(cn3)ccc3C -MOL_01_040221,c1nc(C(F)(F)F)nc(c1C=O)-c2cc(OC)c(cc2)NC -MOL_01_040222,FC(F)(F)c1cc(F)cc2ncnc[nH]c(c3c12)ccc(ON)c3NNCN(C(C)C)C(C)C -MOL_01_040223,CCCCCNCC(=O)Nc1cc(nc(n1)NN2CCCC2)Nc3ccnc(c34)nc(Cl)cc4 -MOL_01_040224,N#Cc1ccc(cc1)-c2c(cccn2)ON(C3)CC3c(c4)cnc(c45)cccc5 -MOL_01_040225,c1ccccc1/C=N/NCCC(c2ccc(cn2)N)c3c(CC)c(N)c(O)c(c3)N -MOL_01_040226,O=CCc1cc(c(C)cc1)C2(C=C(C)C(=N2)N)C(CC)CCCOC -MOL_01_040227,O1C/C=C\C=C\c(n2)c(C#C)ncc2CC(N)Cc(c13)nc(cc3)OCCCCCN4CCCOC4 -MOL_01_040228,n1ccccc1Cn(c(=O)nc2O)c(C)c2-c3ccc(N)nccccc3 -MOL_01_040229,COc1cc(OC)cc(c12)nc(cc2C)C(=O)Cc3ccc(cc3)C4CCCCN4 -MOL_01_040230,n1ccccc1NC2=CC(=C)Oc(c23)cc(cc3)NCc4cccc(n4)Cl -MOL_01_040231,Cc(c1)nc(C)cc1Cc(c2C(N)O)cc(n(c23)ccn3)CN4CCNCC4C -MOL_01_040232,Nc(n1)nccc1Oc(cn2)c(F)cc2C/C=N/c3nccc(c3C)-c4cc(F)c(F)cc4 -MOL_01_040233,c1ccc(N)cc1CC(=O)Nc(ccn2)cc2-c3csc(c34)cccc4C -MOL_01_040234,c1ncccc1CC(O)c2nc(-c3cc(N)ccc3)nc(c24)nccc4 -MOL_01_040235,n1ccccc1CCC(=O)n(cc2C)c(c23)cc(C)c4c3ccnc4 -MOL_01_040236,C\1=N\C(\C)=C\C=C/Cc(c12)nc3n2c(ncc3)-c4ncccn4 -MOL_01_040237,CSc1cc(C(F)(F)F)cc(ON)c1C(=O)CN2COCCC2C3CCCC3 -MOL_01_040238,c1cccc(c1C(=O)CN)NC(=O)CC2CCN(CC2)C34C=C5C=C(C4)NC(=C3)C5 -MOL_01_040239,CCN(CN)CCCc(c(c1)ON)nc(c12)ncnc2Cc(cc3)cc(C)c3CCF -MOL_01_040240,O=C1C(N)=C(O)C([*])=C(C12)C=C(C3=CCCCC3)C=2CCc4ccccc4 -MOL_01_040241,FC(F)(F)c1ccc(cc1)CC(O)CCn(c(C)c2C(O)CCC)c(n2)-c3ncccn3 -MOL_01_040242,NNCCN(CNC)Cc(c1C(F)(F)F)sc(n1)Cc2c(C)nc(Cl)cc2Cl -MOL_01_040243,n1ncccc1CC(O)c2nc(cc(c23)cccc3)-c(c4)ccc(CN)c4CC -MOL_01_040244,n1ccccc1CC(=N)NCc(c2)cn(c23)c(C)c(nn3)Cc(c4)ccc(CN)c4CC -MOL_01_040245,CC(N)(O)c1c(Cl)ncc(c1)-c(nc2CC)nc(n2)NNCc3ccc(cc3)OCF -MOL_01_040246,c1cc(Cl)nc(c1C)C2CCN(CC2)C(=O)n(c3)nc(c34)ccc5c4nccc5 -MOL_01_040247,CC(O)c(c1)cc(c12)n(cnc2)Cc3ccc(cc3)-c4ccncn4 -MOL_01_040248,CCCCc(nccc1)c1C(=O)N2C=CCCC2CCC3=CCOCC3 -MOL_01_040249,CC(C)n1nnnc1C(c2ccc(F)cc2)N(NC3)CC=C3C4CCCN4 -MOL_01_040250,FC(F)Nc(c1C)cc(cn1)-c(cc(c2)N3CC3)cc2C4CN(C4)C5CCOCC5 -MOL_01_040251,c1ccccc1CC(O)c(c2O)c(c(O)c(c23)nccc3)-c4ccccc4 -MOL_01_040252,n1ccncc1C2=C(OCc(cc3C(F)(F)F)ccc3)CCC2CC4CCCCN4 -MOL_01_040253,c1ccccc1-c(c2C#N)nc(CC(=O)C3CO3)nc2-c4ccccn4 -MOL_01_040254,c1ccccc1CCC(O)C(c2ccc(F)nc2)C3=CCN(NC3)c4c(F)cccc4 -MOL_01_040255,n1cccc(C)c1C(=O)C2=NN=C(C23)C(=C=3)C -MOL_01_040256,n1nnccc1CC(=O)c(c2)ccc(CC3=N)c2C34C=C5C(C=C4)=CC=C5 -MOL_01_040257,c1cccc(c1C(C)(N)O)-c(cn2)ccc2CC(=C)N(C3)CN=C3c(cc4)ccc4CC -MOL_01_040258,n1cccc(C)c1CNC(=O)c2cc(C)nc(c2)-c3c(cccn3)OCN -MOL_01_040259,OCCNC(=C)c1cnc(cn1)NNc2c(C)onc2-c3cccnc3 -MOL_01_040260,CC(=O)C(CC1)CNc(c12)cc(nc2)C(=O)NCCN(CC3)CCC3c4cc(Cl)ncc4 -MOL_01_040261,C1COCCC1CCCC(=O)Nc(c2)sc(c23)cc(cc3)-c4c(OCN)cncc4 -MOL_01_040262,NOC(=N)C(=C1)N=C(C1=2)C=CC2c(nc3)ccc3C -MOL_01_040263,c1cccc(C(C)N)c1C(=O)c2ccc(cc2)Nc(c(Cl)n(n3)CO)c3CCCC -MOL_01_040264,C1CC(=O)N(C)c(c12)nc(cc2)NC(=O)NC(C)CCCc3c(F)nccc3 -MOL_01_040265,Clc1cccc(Cl)c1C(=O)Nc(c2)c(CN)n(c23)CCOC3 -MOL_01_040266,C1CNc(c12)cc(c(c2)N)OCCc3c(C)oc(n3)-c4ccccn4 -MOL_01_040267,CC(=N)CCCC(=O)c1ncc(nn1)NC(CC(C)C)c2ccc(nn2)-c(cc3)ccc3C(F)(F)F -MOL_01_040268,OC(O)Nc(cc1)ccc1CNc(cc2C3CN3)nc(n2)-c4ccc(Cl)cn4 -MOL_01_040269,n1ncccc1CC(=N)NOc(c2N)nc(c(c23)cc(Cl)cc3)-c4ccccc4 -MOL_01_040270,[*]=1CC=c(c12)cc3c(c2)N(c(c4CN)cc(CC)cc4)/N=C(O)\CCCC3 -MOL_01_040271,O=CC(C1)C(N)Nn(c12)c(cn2)-c3ccccn3 -MOL_01_040272,CCCCC(=O)CCc1cc(ccc1)C(=C2)N=c(c2c34)cc(CN)c4=NC=C3C -MOL_01_040273,FC(F)C(N)c1ncc(nn1)-c2cc(C(=O)C)cc(c23)cc(cc3)-c4ccc(F)nc4 -MOL_01_040274,c1nc(F)ccc1C(=O)N(C)CCn2cnnc2-c(ncn3)cc3C -MOL_01_040275,CN(N)CC(N)CC1=NC(=CC1=O)NCC(c2c(Cl)nccn2)c3cc(Cl)ccc3 -MOL_01_040276,C1CC(O)Cc(c12)nc(nc2)OCCCCN3CCN(CC3)c4cccc(c45)c(F)ccc5 -MOL_01_040277,c1c(F)ccc(c12)nc(OC)c(n2)NC(=O)C3CCC(CC3)c4cc(cnn4)OC -MOL_01_040278,c1cc(C)nc(c12)c([*])c(C(=O)NCC)nc2C(C)N -MOL_01_040279,n1ncccc1C(=C(C#N)C(C)C2)CC2(C(F)(F)C)c(cc3)ccc3C -MOL_01_040280,Fc1cc(F)cc(F)c1C(=O)N(C2)CCC(C2=O)c3c(F)ccc(c3)N4CCOCC4 -MOL_01_040281,c1ccccc1C([*])C2=CCN(CC2)c(ncn3)cc3Cc4cc(ccc4)NC(=O)C -MOL_01_040282,c1cc(F)ccc1C2=CCN(NN2)C(=N)NCc3c(N)[nH]c(c34)ccc(Cl)c4 -MOL_01_040283,NCC(CN)CCCN(c(c12)cccc1)c3c(OC2)ncc(c3)O -MOL_01_040284,c1ccccc1CCC(=O)N2CCCC2C(=N)NCc3ccc(F)cc3 -MOL_01_040285,FC(F)(F)c1ccc(cc1)NC(=O)CNC(O)C(=CS2)N(C23C)C(=N)CC3 -MOL_01_040286,n1ncncc1C(=N)C(c2ccccc2)Cc3c(nncc3)Cc4c(Cl)cncc4 -MOL_01_040287,CC(=O)NC(C)c1ccc(cc1)OC(CC2)C=C2c(ncn3)c(F)c3CNCC -MOL_01_040288,CN(C)C(O)C(C1)N(C=N)c(c12)cccc2 -MOL_01_040289,c1ccccc1OC(=N)NC([*]2)Nc(c23)c(ccc3CN)-c4ccccc4 -MOL_01_040290,O=C1C=Nc(c12)cc(Cl)c(c2)ONNCN3CCN(CC3)c4nccc(c45)cccc5 -MOL_01_040291,CCOC(=O)c1coc(n1)N(CC2)C=CN2C(=N)c3cc(ccn3)OC -MOL_01_040292,c1ccccc1-c(c2C(=O)OC)[nH]c(n2)-n(c(c3)=N)cc(c34)cccc4 -MOL_01_040293,NCC(=O)c1cc(ncc1)Cc2cc(ncc2)C(C3)CNc(c34)cc(N)cc4 -MOL_01_040294,c1c(Cl)c(N)cc(OC)c1C(=O)NCCn([nH][nH]2)[nH]cc2-c3cccnc3 -MOL_01_040295,c1ccccc1Cc2ccc(cn2)C3=CC=CN=C(C3)c(c4)ccc(ON)c4NC -MOL_01_040296,c1ccccc1CC(CCC)CNC(=NC2=N)N=C(C2=3)C(=CC3)C4=CCOCC4 -MOL_01_040297,CCNC(=C)Nc(cc1)cc(-c2cnccn2)c1C(O)Cc3cc(C)ccc3 -MOL_01_040298,c1cc(N)ccc1C(SCCC2=O)=C2CNCNCc3ccnc(c34)cc(Cl)cc4 -MOL_01_040299,CC(N)c1cccc(c12)nc3c(nccc3)c2NNCc4ccccc4 -MOL_01_040300,NCOc(nc1)ccc1NCCC(C)CC(C)Cn(c(n2)C)c(C)c2Cc3c(F)nccc3 -MOL_01_040301,c1cc(F)ccc1CN2C(N)COC(=O)Nc(c23)ccc(c3)-c4ccccc4 -MOL_01_040302,c1ccccc1CNC(=O)Nc(ccc2)cc2-c(c3)nc(c34)cn(C)cn4 -MOL_01_040303,CC(=O)CNNNC(CC)c(cc(c12)ccc(Cl)c2)nc1Cc3cn(cn3)N4CN4 -MOL_01_040304,c1nc(N)ccc1Cc2ccc(cc2)-c(cc3C)nc(c34)cc(C)nc4 -MOL_01_040305,n1ccccc1CCC(=N)Cc2c(cn(c23)cncc3)-c4ccccc4 -MOL_01_040306,c1cccc(c12)sc(c2)-c(c3C(C)C(C)C)nccnc(C(N)O)ccc3 -MOL_01_040307,c1ncncc1CCC(=O)CCNC(=C2C)c(c23)cn4c3nc(C)nc4C -MOL_01_040308,CC(O)c1cc(ccc1)Nc2nc(-c(cc3)ccc3CN)cc(c24)cccc4 -MOL_01_040309,c1cc(Cl)ccc1CC2(CN2)C(=N)Nn(c3)nc(c34)n(N)ccnccc4 -MOL_01_040310,N=C(N)c1ccc(c12)n(C(F)(F)F)cc(c2)-c3ccc(F)cc3 -MOL_01_040311,Cc(c1)ccc(c12)N(O)NN(NC2)C(CC3)C=CC3c4ccccn4 -MOL_01_040312,C\1=N\C=C/C=C\C(C12)CCOC=2c(nc3)ccc3-c4cc(N)ncc4 -MOL_01_040313,n1cnc(N(C)C)cc1C(N)C2CCCCN2Cn(c3)ccc3N -MOL_01_040314,C1COc(c12)ncc(c2)CNC(O)C(C3)NCC=C3c(n4)nc(C)cc4C -MOL_01_040315,C1NCC(C(O)O)C=C1CCOCC2c(cc(Cl)cn3)c3CCc(c24)ccc(Cl)c4 -MOL_01_040316,NC(N)OCC1C(C1)c2c(cncc2)-c(cc3)nc(F)c3-c(cn4)ccc4C -MOL_01_040317,c1cncc(c12)n(c(n2)C(F)(F)F)CC(N)Cc(cc3C(F)(F)F)ccc3 -MOL_01_040318,c1ccccc1N(c2cccnc2)/C=C/3C(=N)Nc(c34)c(Cl)ccc4 -MOL_01_040319,O1CCCC1CCc2cc(n(CC)c(n2)=N)-c(cc3)ccc3-c(ccc4)cc4CN -MOL_01_040320,N1CNCn(c12)nnc2CCC3=CCC(CN3)c(c4C)cncc4 -MOL_01_040321,c1cnccc1CCC(=O)c(cc2C(F)(F)C)nc(c2)N(C(=N)CN)CNC(C)C -MOL_01_040322,c1nc(Cl)ccc1NC(=O)/C=C/c2c(C)n(c(n2)C)C(=O)NCC3=CCC(C)CN3 -MOL_01_040323,CCCCN(CC)c(ccc1)cc1-c2nnc(c23)ccn(n3)CCC -MOL_01_040324,n1ccccc1CNC(=O)C(CC2)CC(=C/3)\CC(\CCCN)=C/CC2c(c34)nc(N)cc4 -MOL_01_040325,c1cc(Cl)c(F)cc1C(C)Cc(c2)cc(O)c(c23)nc(N)cc3N -MOL_01_040326,CC(C)Cc1c(cncc1)-c2c(Cl)cc(nc2)NC(O)Cc3ccccn3 -MOL_01_040327,n1ccccc1-c2c(NC(C)=N)oc(c2)-c3cc(ncc3)-c4ccccc4 -MOL_01_040328,c1ncnc(c12)N(C(C)C2)C(=C3C)C=CN=CC3 -MOL_01_040329,c1n(F)cnc(c12)ncc(c2=[*])C(=O)CCCc3ccc(O)cc3 -MOL_01_040330,FC(F)(F)c1cc(C(F)(F)F)nc(c1)NC(=O)NNC(c2c(ON)cccc2)N3CC=CCC3 -MOL_01_040331,c1cccc(C)c1C(N)N(CC2)CCC2c(cc3C4=CCOCC4)cc(n3)C5CCCNC5 -MOL_01_040332,c1nccc(c12)cccc2C(O)NCc3cnc(CCC4CCCO4)n3Cc5ccccc5 -MOL_01_040333,c1cncc(c12)CC(C(=O)N)(CC2)CC(C)NCCOc3c(Cl)nc(Cl)cc3 -MOL_01_040334,c1ccnc(c1C(=O)CN)-c(cc2)ccc2CNc3c(NC(=O)CC(F)(F)F)nccc3 -MOL_01_040335,c1ccc(C)cc1C(=O)NC(CC23)=NN(CNC2)N3Cc4ccccc4 -MOL_01_040336,C1NNCC=C1CCc(c(c2c34)O)cc3CCCNc4cnc2 -MOL_01_040337,c1oc(N)cc1NC(=O)CSc(c2)cnc(c23)c4n(c3CC)cccc4 -MOL_01_040338,CN(C1)CCC(=C1C(C)N)c(nc2C(=C)N)nc(n2)-c3ccc(cc3)Oc4c(F)cc(Cl)cc4 -MOL_01_040339,c1cc(F)ccc1C(NC2)CC=C2CCn(c(cn3)=N)cc3-c4ccc(cc4)OC -MOL_01_040340,NC(=O)C(C)Cc1cnc(cn1)NCCc2c(C)oc(c2)-c3cc(F)ccn3 -MOL_01_040341,c1cnccc1CNc(c2-c3ccc(O)cc3)ncn2-c4ccc(O)cc4 -MOL_01_040342,CC(=O)c(c1)ccc(c12)Sc3c(C2C=O)nccc3 -MOL_01_040343,CCCNCCCc1cc(C(C2C)CCOC2)nc(c13)cc(cc3)-n(c4)ccc4CNCN -MOL_01_040344,FC(F)(F)Cc(cn1)cn(c12)nc(n2)CC(O)Nc(c3C)c(F)ccc3 -MOL_01_040345,CC(=O)NC(N)c1ccc(cc1)OCCCN(C)c(c2F)ncnc2N(C3C)NCN3 -MOL_01_040346,COC(=O)N1CCCC(NCC12)NN2C/C=C/c3ccc(cc3)-c(cn4)ccc4C(F)(F)F -MOL_01_040347,FC(F)(F)c1ccc(cc1)-c2cc(cnc2)Nc3nccc(c34)C=CC(C4)N -MOL_01_040348,c1cnc(F)cc1CNc(ccc2)cc2-c3c(Cl)cnc(n3)NC(NC4)CCC4ON -MOL_01_040349,n1nc(F)cc(F)c1C(=N)Nc2ccc(nc2)NCc3nc(NC)cc(c34)ccc(C)c4 -MOL_01_040350,Nc1ncnc(c12)CC(c3ccc(F)cc3)NCCc4c(/C=N/2)ccnn4 -MOL_01_040351,c1ncccc1CC(=O)CCn(cc(c2)N)c(c23)ccc3-c4ccccc4 -MOL_01_040352,n1ccccc1CN(CC(C)N)C(=O)c2nc(nn2N)-c3ccccc3 -MOL_01_040353,c1ccc(C(F)(F)F)c(F)c1C(=O)C(C)CCc2cncn2-c(nc3)ccc3F -MOL_01_040354,C1NCCC12CCN(CO2)c(c3C#N)cc(nc3)Nc(ccc4)cc4-c5ccccc5 -MOL_01_040355,CC1(O)CCC=C(O1)Nc(ccn2)cc2C(=O)NCC3N=C3NCCc4c(C)cncn4 -MOL_01_040356,c1cc(F)nc(F)c1C#Cc(cc2)cc(c23)NC(O)CC(=N3)c(cc4C#N)cnc4 -MOL_01_040357,FC(F)(F)c1ccc(cc1)Nc(nc2)ccc2-c3nc(on3)-c4ccc(cn4)N -MOL_01_040358,C1CONC=C1c(cccc2)c2CNC(=O)c3ncc(o3)-c4c(N)cccc4 -MOL_01_040359,FC(F)(F)Cc(cc1)ccc1CC(=O)c2cc(c(nc2)N(CC)CCO)-c3cccnc3 -MOL_01_040360,C1NCCCN1COc(c(c2)-c3ccccn3)nc(c24)cccc4 -MOL_01_040361,c1ncccc1C(=O)C2=NC(C(C2)c3ccncc3)CC4=CC=C(CC4)c5ccccc5 -MOL_01_040362,FC(F)(F)c1cc(ccn1)Oc(nccc2)c2-c(cn3)cc(F)c3-c4ccc(cn4)N -MOL_01_040363,COC(=O)c1c(cccc1)NC(=O)C2CNN(CO2)c3c(F)cccc3 -MOL_01_040364,NOc1cccc(c12)c(c(C)cc2CC)-c(c3O)ccc(c34)cc(C)nc4N -MOL_01_040365,C1CC[*]CC1c(n(c2)C(=S)N)cc2Nc(sn3)cc3-c4ccncc4 -MOL_01_040366,CC(O)c1cc(C)c(cc1)COc2c(Cl)cc(cc2)N3C(C)=CC(N)=NC3(C)N -MOL_01_040367,c1cccc(c1C(F)(C)C)-c(n(c23)ccc2)nc(c3)NCCC(C)N -MOL_01_040368,OCCN(CC)NCCC(C1)N=C1CC(=O)NNc2ncnc(c23)ncc(c3)C(F)(F)C -MOL_01_040369,c1c(F)ccc(c12)n(nn2)C(O)Cc3cnc(cn3)Cc4c(N)nncc4 -MOL_01_040370,c1ccccc1CNc(cn2C)c(=O)cc2CCCCNCc3ncnc(c34)cc(Cl)cc4 -MOL_01_040371,CNC(=O)c1cccc(n1)CCCCCN(NC2)CCC2c3ccn(c34)cc(F)cc4 -MOL_01_040372,c1ccc(OC)cc1Nc(c2C(O)CCC)cc(nc2)-c(ccc3)cc3-c(cc4)ccc4C(N)N -MOL_01_040373,N1CNc(c12)nc(cc2)CC(=N)CCc3cc(cnc3)-c(ccc4)cc4CC5CCNCC5 -MOL_01_040374,c1ccnc(c1CCN)C2=CCC(=CC2)Nc3nccc(c34)cccc4 -MOL_01_040375,NNCNc1cn(F)cc(c1c(c23)nc(c2)N)cc3Nc(c4)ccc(c45)OCC5 -MOL_01_040376,o1cccc1CC(CN2)CC(c(c23)cc(N)c(c3Cl)N)c4cc(Cl)ccc4 -MOL_01_040377,NC(=O)Nc(n1)cccc1Cc2cc(ncc2)C(NC3)CC=C3c4ccccc4 -MOL_01_040378,NCCC1=CCC(NC1)CC(C=C2N=NC3=O)Cc4cccc3c24 -MOL_01_040379,OCc1c(F)ccc(n1)C(=N)C2=CCN(C=N2)c(nc3)ccc3F -MOL_01_040380,CC(=O)c1c(OC)cc(F)c(c1)Cc2cc(ccc2)-c3c(OC(C)N)cc(F)nc3 -MOL_01_040381,O=CCCCNCc(c1O)c(O)nc(c12)cc(OC)c(n2)CC -MOL_01_040382,COc1ccc(cc1)Oc(n2)c(ccc2C)C3=NN=C3C4CNNC4 -MOL_01_040383,FC(F)(F)c1c(F)cc(cc1)CC(C(=O)O)c(n2)c(Cl)n(c23)cccc3 -MOL_01_040384,CCC1=NC(N)=C(C1=2)C(=CC(=N)C2CC)c3ccccc3 -MOL_01_040385,O1N=C1Nc(c(Cl)c2)cc(CCN)c2C(O)CCN(C3)OCCN3Cc4ccc(F)nc4 -MOL_01_040386,FC(F)(F)c(c1)ccc(c1C(F)(F)F)-c2cc(ccc2)OCC(N)CC(NC)Cc3cccnn3 -MOL_01_040387,CCCC(O)CC(N)c1ccc(nc1)-c(c2)ccc3oc(c4c23)ccc(c4)OCCC -MOL_01_040388,O1CCC(C(=O)N)Cc(c12)cc(cc2OC)-c3cc(Cl)c(cc3)OC -MOL_01_040389,NCCOc(cnc1)cc1-c(s2)ncc2Nc(ncc3)cc3N4CCCCC4 -MOL_01_040390,O=CNc1cc(ccc1)-n(cc2)cc3cc(c4c23)c(N)ncn4 -MOL_01_040391,O1CC1NC(=O)CNC(=O)Cc2c(cc(F)cc2N)-c3ccccc3 -MOL_01_040392,N1CN(C)CCC1CCCNCc(n2)ncc(c23)cc(c(O)c3C)-c4c(Cl)cccc4Cl -MOL_01_040393,c1ccccc1-c(cc2)ccc2C(=O)c(nc3N)cn(c34)cc(n4)-n5cccc5 -MOL_01_040394,CC1=CCC(CC1)Cc2cnc(Cl)c(n2)-c3cc(ccn3)NCc4cnc(N)nc4 -MOL_01_040395,c1ncncc1C(C2CC[*]CC2)Nc(cc3)ccc3-c(c(c4C)NC)nc(c4)ON -MOL_01_040396,CC(C)C(=C)n1nncc1Nc(cn2)ccc2-c(ccc3)cc3C(=O)CN -MOL_01_040397,N1CCCNO\N=C1\Cc(cccnc2C)ccn(c23)c(nc3)-c4c(Cl)cccc4 -MOL_01_040398,c1cccc(c12)nc(cc2CCN)Cc3cc(Cl)c(Cl)nc3 -MOL_01_040399,c1cnc(N)cc1-c(cccc2)c2C3CN(C3)c(cc4)nc(c45)cccc5 -MOL_01_040400,c1ccccc1C(N)CC(=O)Nc(c2)ncn(c23)c(nn3)N4CCCC4 -MOL_01_040401,c1ccccc1N(c2ccccn2)C(=O)NCC(N)Cc(c3)sc(c34)cccc4 -MOL_01_040402,CCCOc(nc1)ccc1Oc(cn2)ccc2-c3ccc(nc3)N(C)NN4C=N4 -MOL_01_040403,C1COCCC1C(=O)c2cc(OC3COC3)c(cc2)Cc4nc(c(Cl)cn4)NC -MOL_01_040404,CC(C)C1CCN(CCN1)C(=O)C2CCN(NC2)c(ncn3)cc3CC(C)C -MOL_01_040405,N#Cc1c(C(F)(F)F)cc(cc1)Nc(n2)nc(C3CCOCC3)nc2Cc4ncnc(c45)cccc5 -MOL_01_040406,CCCC(C=C1)=C(C(C)O)N(/C=C\2)C\1=C(N)/CC(C(=O)C3)=C2N(C34)C4 -MOL_01_040407,CNC(=O)Cc(cc1Cl)cc(Cl)c1Cc(c2)cnc(O)c2-c(ccc3)cc3C(N)O -MOL_01_040408,c1ccc(c12)cn(cc2)N(C3N)N(NO3)c4ccc(cc4)N5CNCCN5 -MOL_01_040409,C1CCCCN1CNCc2nc(nc(c23)ccnn3)-c4cc(N)ccc4 -MOL_01_040410,O=C(O)c1c(C)c(ccc1)-c(c2)cn(c23)nnc(n3)C -MOL_01_040411,c1cc(Cl)ccc1CC(N)Cc(c2)ncc(c23)ncnc3Nc4ccccc4 -MOL_01_040412,n1ccccc1OC(=O)c2c(cccn2)-c(cn3)cc(OC)c3CN -MOL_01_040413,CC(N)Cc(c1)cc(n1c(c23)O3)cc2CCc4ccc(cc4)NCN -MOL_01_040414,c1ccnc(C)c1Cc2c(nnc(C)c2)S(=O)(=O)c(c3C)ccc(c3)N -MOL_01_040415,C1CCNCC=C1CN(N)Cc(c2N)cc(CN)c3n2cc(c34)cc(F)cc4 -MOL_01_040416,c1cccc(OC)c1CC(C)NC(=C)Nc(nc2)cc(CO)c2C(CN)Cc3c(Cl)nccc3 -MOL_01_040417,c1cnccc1-c(c2C(F)(F)C)ccc(c2)NC(=N)Nc(c3)ccc(Cl)c3CC4=CCC(C)=CN4 -MOL_01_040418,C1NN=CC=C1C/C(=C/N2)C(O)Nc(cc3)s4c2c34 -MOL_01_040419,CC1[*]CC(C1)NC(=O)CCc2ccc(cc2)-c(c3)nc(c34)ccn(C)c4 -MOL_01_040420,c1ncccc1CCc2c(cncc2)-c(c3)c(N)cc(c34)cccc4 -MOL_01_040421,C1NC(=N)C(C1=O)c(cc2)ccc2C(=O)Cc3ccc(o3)-c(c4C)ccnc4 -MOL_01_040422,c1cnccc1CNC(=N)Nc(c2)nc(c23)[nH]c(C)cc3-c4cccnc4 -MOL_01_040423,Cc(c1)ccc2n(C[*]C)c(c3c12)nc(nc3)SCCC4C[*]OCC4 -MOL_01_040424,c1cccc(c12)cnc(c2)CC(=N)c3cc(-c4cnccn4)cc(c35)c(C)nc(C)c5 -MOL_01_040425,NCCNC(=O)N(C1CC)C=CC=C1c(cccc2)c2-c(cc3C)ccc3 -MOL_01_040426,c1ncc(C(N)N)c(c1C(C)C)CCCC=2C=NC(C23)=C(O)CN=CN3 -MOL_01_040427,c1ncccc1-c2cnc(nn2)C3=CC(N)CC(C3)c4ccc(Cl)cc4 -MOL_01_040428,n1ccc(F)nc1-c(c2)ccc(c23)n(cc3OC(=O)N)CCCCc4ccncn4 -MOL_01_040429,CC(=O)CC(O)c1ccc(cc1)CC2CN(CN2)c(nc3)c(N)cc3CCC4CC4 -MOL_01_040430,C1=CCc(c12)ncc(n2)CNc(n3)cc(cc3C)-c4cccc(n4)OC -MOL_01_040431,CCCCC1=C(CCCN)N=c(c12)cc3c(c2)=CCC(=O)C=C3 -MOL_01_040432,n1cc(C)ccc1CC(=O)Cc2c(O)c(Cc3ccc(Cl)cc3)nc(n2)-c4ccccn4 -MOL_01_040433,CC(=O)Nc1nccc(c1C)Nc(n2)nccc2C(CC3)CCC3CCc(nc4)ccc4C(F)(F)C -MOL_01_040434,c1ccccc1CNc(c(Cl)c2)cc(c23)NCCCCNNc4c(CN)ncc(n4)CC(C)C3 -MOL_01_040435,c1cnc(F)c(Cl)c1CC(=O)Cc(ccc2Cl)c(O)c2C(=O)C3CCNON3 -MOL_01_040436,[*]C12c3cc(cc(F)c3)NC(=O)CC1CCN(C2)CCCCCNCO -MOL_01_040437,n1c(Cl)nc(Cl)cc1C(=O)N(CC2)CCCC2C(=N)Nc(nc3)ccc3C(C)(C)N -MOL_01_040438,COc(cc1)c(Cl)cc1CNc(c2C(=O)NCCNCO)nc(cc2)OCc3ccccc3 -MOL_01_040439,[*]COc(c1)c(CN)nc(c12)cncc2Nc(c3)ccc(c34)cccc4C -MOL_01_040440,c1ccccc1ONC(N)c(c2C)ccc(c23)nc(cc3)NCc4cccnc4 -MOL_01_040441,Cc1ccc(cc1)-c2c(cnc(C)c2)C(\C=C\3)C(N)C\C=C\C=C/3\c4ccncc4 -MOL_01_040442,CC(=O)NC(C)c1ccc(cc1)OC2=CC(CC2)c3c(Cl)c(ccn3)OC4CCOCC4 -MOL_01_040443,Fc1c(Cl)cc(cc1)Oc2c(C#N)cnc(c23)ncc(c3)NNCC4CCOCN4 -MOL_01_040444,c1cccc(F)c1N(CC2)CCN2C(=O)c3cc(N)nn3-c4ccncc4 -MOL_01_040445,N1CCC=C1COc(c2)nc(=N)n(c23)CC/C=C/C(=C\C=C\3)NCc4ccncc4 -MOL_01_040446,n1nc(N)ccc1-c(c2)nc(-c(c3C)cccc3)cc2-c4ccc(Cl)nc4 -MOL_01_040447,c1cccc(c12)NCCC(c3c(Cl)cccc3)N(\C=C\2)c(nc4)ncc4S(=O)N -MOL_01_040448,CCCCc(cc1)cc(NC2O)c1Cc(c23)cc(cc3)-c(c4)ccc(N)c4CN -MOL_01_040449,c1ccc(CC)cc1C(=O)NCCNCCCNC(C2C)=C3CCc4cccc2c34 -MOL_01_040450,c1ccc(N)cc1Nn(ccc2)c(c23)cnc3Nc4ccc(Cl)cc4 -MOL_01_040451,CC/C=N/C(CCC1=O)N1c(ccc2)c(C)c2CNC(N)O -MOL_01_040452,Fc1cccc(N)c1NC(O)c2ccc(s2)-c3c(Cl)ccnc(C)occ3 -MOL_01_040453,O=Cc1c(C)c(CC)cc(c12)c(C)c(c(c2)N)/C(C(\[H])=C\3)=N/C=C/C(O)C(C3=4)C=CCC4 -MOL_01_040454,n1ccccc1C(C)CC(=O)Nc(n2)cnc(c23)n(cn3)CC4(C)C=CC4 -MOL_01_040455,n1cccc(c1C(C)O)CC(=N)CC(C)CC(=O)Nc2ccc(nc2)N3CCOCC3 -MOL_01_040456,Cc1nc(nc(n1)Cl)NC(C)c(c(c2O)C3CC3)cc(c24)ccnc4C -MOL_01_040457,C1CC(=O)N=C1NC(=O)NCc2cc(-c(nc3)ccc3C)c(cc2)-c(nc4)ccc4C -MOL_01_040458,c1cc(F)ccc1\N=C\COCc2c(nc(N)nc2)-c3ccc(F)cc3 -MOL_01_040459,CCCN(CCC)C(=C1C(O)O)N(C(O)O)C=C(C1=C23)C(=O)CC3CC=C2 -MOL_01_040460,FC(F)(F)c1cc(CN)cc(c1)-c2nc(C3CCOCC3)nc(n2)N(CC4)CCN4C -MOL_01_040461,CC(C)c1ccc(nc1)-c(cc(c23)nccc3)cc2NCCNCN -MOL_01_040462,c1cc(Cl)ccc1C(=O)N(CO2)CC=C2c3nnnc(c34)cc(Cl)cc4 -MOL_01_040463,CC(C)Cc(c1C(=N)N)cc(cc1)-c(c2)ncc(c23)CC=C(C3)NCCN -MOL_01_040464,c1cc(C)ccc1CN(CC[*]2)C(=O)n(c23)cc(c3)C(=O)NCCCOC -MOL_01_040465,FC(F)Oc(cn1)ccc1Cc2cnc(nc2)Nc3c(Cl)nc(cc3)N4CCCNC4 -MOL_01_040466,CC(O)N(N)CCCCNc(nc(n1)-c2cccnc2)cc1-c3cccc(n3)OC -MOL_01_040467,CNCC(O)c1ccc(cn1)NC(=O)CCn(n2)ccc2-c3ccc(C)nc3 -MOL_01_040468,Fc1nccc(F)c1-c(c2)ccc(c23)cccc3Nc4c(nccc4)N(CC5N)CC(N)N5 -MOL_01_040469,c1c(Cl)c(N)cc(OC)c1C(=O)NCC2CCCN(N2)Nc3ccc(F)cc3 -MOL_01_040470,CC(F)(F)C(=O)NCCOC(c(c12)nccn2)C(C1=O)Cc3ccccn3 -MOL_01_040471,FC(F)(F)c1cc(C(F)(F)F)cc(c1)N(O)C2=COC(c3cccnc3)=Cc(c24)cccc4 -MOL_01_040472,n1cc(Cl)ccc1C(=O)CCc(c2C(=N)CCCO)cc(cc2)N(CO)C(=O)c3ccccc3 -MOL_01_040473,c1cccc(c12)ccc(c2)Nc(c3)cc(-c4ccc(cn4)N)cc3C5=CCOCC5 -MOL_01_040474,Cc1cc(c(N)cc1)N(CC2)C=CC2C(O)NNc(n3)occ3-c4ccc(cc4)OC -MOL_01_040475,CN(C)NC(=N)Nc1ccnn1C2CCN(CC2)C(O)c3c(F)cc(Cl)cc3 -MOL_01_040476,c1cc(Cl)c(Cl)cc1CC(=O)Nc(c(Cl)cc2)cc2C(N)NCCCC3=CCCCNC3 -MOL_01_040477,c1nc(Cl)cc(Cl)c1C(=O)c2c(Cl)cc(cc2)Cn(nc3)c(N)c3C(=O)N -MOL_01_040478,C1COCCC1c(ccc2)cc2Cc3nnc(s3)-c4cccc(n4)-c5ccnnn5 -MOL_01_040479,CC(=O)c1cccc(N(C)C(C)C)c(cncc1)-c(cc2)nn(c23)ccc3 -MOL_01_040480,c1cnccc1C(=N)Nc(ccc2)cc2C(C)Cc3cncc(n3)-c(cc4)cc(c4C)NC -MOL_01_040481,Cn(n1)ncc1-c(cccc2)c2C(=O)CC3C(CCC3)Cc(c(n4)C)ncc4C(F)(F)F -MOL_01_040482,c1ccnc(c12)N(C(C)C2)NCCCn([nH]3)[nH][nH]c(c34)cccc4 -MOL_01_040483,N1CCCCN1c(cc2)c(cc2C=C)CC(N)COc3ccc(Cl)nc3 -MOL_01_040484,c1nc(F)c(F)c(F)c1CC(=C)CCC(=O)CN2C=CN(CC2)c(c3)ccc(c34)O4 -MOL_01_040485,c1ccccc1-c(c2C#N)oc(n2)-c(o3)ccc3CCc4ccc(CN)cc4 -MOL_01_040486,c1cncc(c12)nc(nc2)N(CC3N)CCN3c(c4F)nc(F)c(F)c4 -MOL_01_040487,C1CCCC=C1NCn(c(=C)nccn2)c(=[*])c3cc2cc(c34)ccnc4 -MOL_01_040488,c1cccc(c12)ccc(c2)C(N)CCCc3c(nccn3)-c(ccc4)cc4COC -MOL_01_040489,CCN(CN1)CCC1Cc(c2C(F)(F)F)ccc(c2)NC(O)c3cc(c(C)nc3)NCO -MOL_01_040490,NCC1CCN(CO1)c(nccc2)c2CC3CC(C3)c(c4)cnc(c45)cccc5 -MOL_01_040491,c1cc(CN)cc(CC)c1C(=N)NC2CC=CC(C=23)=C(C=C3)c4cc(F)cc(F)c4 -MOL_01_040492,C=CC(=O)Cc1c(nccc1)Cc2c(Cl)nnc(c2)NC3C=CCCC3 -MOL_01_040493,c1ncccc1CN(C)C(=O)c2c(Cl)ccc(n2)C3=CN3Cc(cc4)ccc4CCC -MOL_01_040494,NC(=O)c1ccc(cc1)-c(c(c23)cccc3)ncc2Cc4cccnn4 -MOL_01_040495,C1N(N)N=NN(C=12)N(CC(=O)O)C(=C2C)CCCCC -MOL_01_040496,c1cncc(c12)cccc2N(C=O)CC3=CC=C(CC3)c(c4CN)nccc4 -MOL_01_040497,C1CN(C2)CC(=C12)C(=O)CC(C#C)Cc3c(F)cc(cn3)-c4ccn(C=O)c4 -MOL_01_040498,c1ccc(C(F)(F)C)c(Cl)c1C(=O)N(C)CNn2cncc2-c3nc(F)ccn3 -MOL_01_040499,c1ccnc(c1C(F)(F)F)CCc2cc(cnn2)-c(cc3)cc(c34)CCC(=O)C4C -MOL_01_040500,CC(F)(F)c(cc1)nc(Cl)c1CC(=O)C2=CCC(NN2)c3cc(Cl)ccc3 -MOL_01_040501,N1CCCC1NC(=N)CCc2cnc(-n3cnnc3C)n2-c4ccccc4 -MOL_01_040502,c1ccnc(c1[*][*]F)NCC(=N)CC2C=C2c(c3CCN)nccc3 -MOL_01_040503,c1cccc(c12)oc(c2)C(N)Nc(cc3)ccc3C4N=CC(C=45)=NCCNC5 -MOL_01_040504,FC(F)(F)Cc(c1)ccc(c1c23)NC(=O)CNC(=C)CC(C)C(O)c2cccc3 -MOL_01_040505,n1ccnc(c12)nnn(c2=O)CCN3CCN(NC3)c4cccc(c45)cccc5 -MOL_01_040506,c1c(F)ccc(F)c1C(C=C2C=N)=NC2c3cnccn3 -MOL_01_040507,C1=CC(=C)n(c2c13)ccc(C)ccc(CC)c(CN)ccnccnc3CCC2 -MOL_01_040508,FC(F)(F)c1cncc(n1)N(NC2)CCC2CNNc(c3)ccc(c3=4)=NC(C4)=N -MOL_01_040509,c1cccc(c12)scc2C(N3CCCCN3)CCN(CN4)CCC4Cc5ccncc5 -MOL_01_040510,CC1C(=O)N(CNC)C(=O)C2=Cc(c3C=12)cccc3 -MOL_01_040511,C1COc(c12)ccc(c2)\N=C\C3CCC(CC3)c(cc4C)nc(n4)-c5ccccn5 -MOL_01_040512,Cn(c1)cc(N)c1C2C=C2Cc3ccc(cc3)-c(c4)cn(c45)cncc5 -MOL_01_040513,CCCC(O)OCC1=C(CCC(=N)NC(N)N)C=C(C2)C12c3cc(Cl)c(Cl)cc3 -MOL_01_040514,c1c(Cl)cnc(c1[*])N(N2C)N(N)C=C2CNCc3ccc(F)cc3 -MOL_01_040515,CCc1c(CN)nccc(cc(C)cc1)C2=CC=C(OC)N(N2C)OC -MOL_01_040516,CCCc(cc1C)nc(c12)nn(c2)NCN(C=C3OC)C=CN3OC -MOL_01_040517,O=CC(C1)CCC(C1=c23)N=c2c(N)cc(C)c3N -MOL_01_040518,NC(N)CC1CCc(cc12)c(cc2)NCCc3nc(nn3C)-c4cc(NC)ccc4 -MOL_01_040519,c1ccccc1CC(=O)CSC2Nc(cccc3)c3C(C=24)NC=C4 -MOL_01_040520,c1cc(N)c(Cl)cc1CC(=O)N(N)C(C2)C(C3CCCC3)Cc(c4)c2cc(c45)cnnc5 -MOL_01_040521,n1cnccc1CCNc(c2)ccc(N)c2-c(n3)cccc3CNc4cccc(n4)F -MOL_01_040522,c1ccccc1CC2C(N)/C=C/C=C\C=C/CN2c3c(Cl)ccnc3Cl -MOL_01_040523,FC(F)(F)Cc(cc1)ccc1CC(=N)N(C2)CCC23CCN(NC3)C(N)c4c(F)ccnc4F -MOL_01_040524,CNNNC(=O)c1ccc(cn1)NC(=O)N(C2)Cc(c23)nnc(c3)CC -MOL_01_040525,c1ccccc1OC(=O)N(CN2)CCC23CCN(CC3)c4ccccn4 -MOL_01_040526,c1nc(Cl)ccc1C(c2cnccn2)CC(=O)C3CCN(CC3)Nc4ccc(Cl)nn4 -MOL_01_040527,O1CNCCC1CCc(c2)cnc(Cl)c2-c3cc(ccn3)NNc4cc(F)ccc4 -MOL_01_040528,CC(=O)Nc(cc1)ccc1C(O)NC(=CC2)C=C2c3ccnc(c34)nc(Cl)cc4 -MOL_01_040529,NNC(=O)c1c(CC)ncc(c1)Cc2nc(ncn2)C(C3)CC3Cc4ccc(Cl)nc4 -MOL_01_040530,CC(O)c1ccc(nc1)NCc2nnc(o2)-c(c3)c(N)cc(c34)cccc4 -MOL_01_040531,FC(F)(F)c(n1)nc(C(F)(F)C)cc1C(=O)N(CC2)CCC23CCC(CN3)Cc4ccncc4 -MOL_01_040532,OC(O)n(c1)nc(c12)CCC(C2)OCC#Cc3ccc(cn3)-c(cc4)ccc4C(F)(F)F -MOL_01_040533,CC(O)CC(O)c(cccc1)c1C(=O)Nc(c2)ccc(c2C(F)(F)F)C3CC3 -MOL_01_040534,FC(F)(F)c1ccc(cc1)CNC(N)c2c(OC)ncc(c2)C(C3=O)SC(=N)N3 -MOL_01_040535,CCC(=O)n(oo1)[nH]cc1-c(c2C(C)O)cc(c(F)c2)COC3CCCC3 -MOL_01_040536,C1=NC=CN(N12)OC(=O)N2NCCNCN(NC3)CCC3c4ccc(F)cc4 -MOL_01_040537,COc(cc1)c(O)cc1CC(CC)C(O)c2cc(OC)c(OC)c(n2)NC -MOL_01_040538,c1ccccc1C(=N)Cc2cc(N)cc(C=O)c2-c3ccccn3 -MOL_01_040539,Nc(n1)c(N)ncc1Cc2cccc(c23)cnc(c3)-c4cccc(n4)C5CCCCC5 -MOL_01_040540,Clc1ccc(nc1)NCNC(C)(N)NC(C2=N)=NC(O)c(c23)cccc3 -MOL_01_040541,CNC/C=C(O1)\C[*][*]=[*]C1(C(F)(F)C)C(=O)CCCN2CCCCO2 -MOL_01_040542,N#Cc1c(C)ccc(n1)-c2c(F)cc(cc2)-c3c(cccc3)Oc(n4)nncc4N -MOL_01_040543,CC1CCCN(C1)c2ccc(nc2)Nc(cccn(c34)ccnc3)ncc4C5CCNC5 -MOL_01_040544,N=CN(C)CCC1=CN1c(cc2C)nc(c23)cc(CN)c(c3)CC -MOL_01_040545,c1cc(CN)ccc1C(=N)NNc2cncn(c23)c(nc3)-c(cc4)cc(Cl)c4C -MOL_01_040546,[*]1CNc(c12)ccc(c2)NNN(C)CC3CCNc(c34)c(CN)ccc4 -MOL_01_040547,n1cc(Cl)cc(C)c1C(=N)Cc2cc(c(F)nc2)C(COC3)N=C3N -MOL_01_040548,C1NCCCN1CC(=O)c2cc(-c(cc3)ccc3C)c(cn2)-c(cc4)ccc4C -MOL_01_040549,c1ccccc1C(C(=C)CC(=O)CC)C(C)NN(C2)CNc(c23)nccc3 -MOL_01_040550,c1ccccc1Nc(c2)nn(c2c34)ccc3n(nc4)-c5c(F)cccc5 -MOL_01_040551,C1NNCCC1CC(=O)Cc2ccc(ON)c(n2)-c(ccc3)cc3C(=O)C -MOL_01_040552,c1cccc(O)c1C(=O)Cc(c2)n(C=O)c(c23)CCCCC3 -MOL_01_040553,C1CCCCN1c(nc2C)nc(c23)ccc(c3)N4N=C4c5cccnc5 -MOL_01_040554,c1cc(N)nc(N)c1C(N)N(Cc2ccnnc2)c(cc3)ccc3-c(c4)oc(c45)cccc5 -MOL_01_040555,c1cnccc1CC(=O)Nc(c2)cc(cc2C(F)(F)F)-c3ccnnc3 -MOL_01_040556,N=CNc1cc(CN)c(c12)nc3c(c2)ccncc3 -MOL_01_040557,CC(F)CN(C)C(=O)c(n1)cnc(c12)cccc2-c3ccc(cc3)-n(c4)ccc4C -MOL_01_040558,Clc1cccc(c12)N(C(=O)NC2)CCNN(NC3)CCN3c(cc4C)ccc4 -MOL_01_040559,c1cccc(F)c1N(C(=C\C)\C(=O)CN)C(=C/2\C)/C=C\N/C=N\C\2=N\[H] -MOL_01_040560,C=C(C)C=1CCCC(C12)=NN(N=N2)c(n3)cccc3CC -MOL_01_040561,CCNNCC/C(=N\c1ccc(Cl)c2)/C=C/NNc(c3c12)cnc(n3)F -MOL_01_040562,c1cccc(c1C(=O)O)NN(NC2)CCC2n(ccc3)c(c34)ccc4 -MOL_01_040563,CCNC(CCC1)C=C1NCCCCCCc(c2)ncc(c23)nc(nc3O)-c4ccccn4 -MOL_01_040564,CC(C)(N1)C=Cc(c12)cc(c(c2O)NCC(C)N)CCCc3c(O)nc(N)cc3 -MOL_01_040565,c1cc(C)ccc1C(=N)NCc2c(cccc2)N(C3C)N(N)c(c34)cccc4 -MOL_01_040566,c1ccccc1CC(C(C)C)(OC)C(=O)c2ccc(cn2)C3CCCON3 -MOL_01_040567,FC(F)(F)c1cc(cnc1)COC(N=C2O)=CC(C23C)=CC(=C)C=C3CC -MOL_01_040568,NCC1CCCC(C=12)=C(C(C)N)C(=C2)c(cn3)ccc3Cc4ccccc4 -MOL_01_040569,n1cc(C)ccc1C(=O)CC(=C\c2ccccn2)\C(=O)NC(C(=O)O)Cc3ccccc3 -MOL_01_040570,Nc1c(N)ccc(c12)C(c(c3C(=O)ON)cccc3)c4c(C2)nc(C)cc4 -MOL_01_040571,c1cc(Cl)ccc1OCC(O)Cc(c2)ccc(c23)nc(cc3)NC4CCNCN4 -MOL_01_040572,C1CCCC1C(=N)Nc(cc2)ccc2-c3ccc(nc3)NC(=O)N(C4)Cc(c45)ncnc5 -MOL_01_040573,c1ccccc1N(CC2)CCN2CCCNc(cc3)cc(c34)N(C(N)CC4)Cc5ccccc5 -MOL_01_040574,N1CC[*]CC1NC(=O)c(c(n2)N)c(c3)c2cc(c34)n4 -MOL_01_040575,c1ccc(NC(=O)N)cc1-c2cccc(c23)CC(C3)C(N)Nc(ccc4)cc4Cc5ccccn5 -MOL_01_040576,NC(=O)C1CCc(c12)cc(cc2)C(=C)CC3=CCC(CN3)c4cncc(n4)Cl -MOL_01_040577,c1cccc(c12)cc(cc2C(=O)NC=O)CC(O)n(c3Cl)nc(c34)cccc4 -MOL_01_040578,n1ccccc1-c(cc2C)cc3n2c(C)c(c34)c(=O)c5c(cccc5)c6c4cncc6 -MOL_01_040579,c1ccccc1Cc2c(ncc(Cl)c2)N3N(C)N=NN3CC4CCNC4 -MOL_01_040580,c1ncncc1CCNC(=C)c2nc(-c(cc3)ccc3CN)cc(c24)c(C)nc(C)c4 -MOL_01_040581,C1COc(c12)cc(nc2)CCC(=CC3=N)C=C(C3=4)C=C(C4)c5ccccc5 -MOL_01_040582,CNc(cc1)ccc1CC(=O)C(C)CC(=C)c2cc(C(N)N)c(nc2)C3CCCC3 -MOL_01_040583,CCc(cn1)ccc1C(=O)CNC(=C2CCCN)c(c23)ccnc3 -MOL_01_040584,NC(=O)C(N)c(cc1)ccc1C(=C)Cc2c(N)ccc(c2)-c3cccs3 -MOL_01_040585,Cc1cc(ccn1)-c(cc2)cc(c23)oc(c3)C4CCC(CN4)N5CCCCC5 -MOL_01_040586,CC(=O)CCCn1c(C)c(-c(cc2C(F)(F)F)ccc2)cc1Cc3ncc(Cl)cn3 -MOL_01_040587,c1nc(N)ccc1CC(C)(C)c(cc2)cc(c23)N4N(C=CC=C4)C=CC3C -MOL_01_040588,CC(N)Cc(c1C)cnc2[nH]c(c3c12)cccn3 -MOL_01_040589,CC(O)c1cc(ccc1)C2=CC=C(C2=3)C=C(C3)c4ccc(nc4)S(=O)N -MOL_01_040590,CCCNN(C)Cc(c(c12)ccnc1C)cc(CN)c2Oc(c3)cnc(Cl)c3Cl -MOL_01_040591,c1ncc(Cl)cc1CCc2c(-c3ccccc3)ncc(n2)-c4cnncn4 -MOL_01_040592,CCCNc(cn1)ccc1Cc2cc(C3=CCONC3)cc(c2)N4CCOCN4 -MOL_01_040593,n1ccccc1C(=C)c(c2)n(c(c23)cccc3)CC(=N)c4ccc(CN)cc4 -MOL_01_040594,NCCC(=O)C(NC1)CC=C1N(C=O)N(c2ccccc2)Nc(nc3)ccc3N 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-MOL_01_040611,N#Cc1ccc(cc1)-c(c2)ccn(c23)c(cc3)-c4cc(ccc4)NC=N -MOL_01_040612,n1ccccc1NCC(O)C(C2=O)N(C2)Sc(cc3)ccc3CC -MOL_01_040613,FC(F)(F)/C/1=C/N=C/C=C\CN(C)N(\C=C\1)c2coc(c23)nccc3 -MOL_01_040614,c1ccccc1C(C)CC(=O)Nc(cc2)cn(c23)cnc3NC(O)CCN -MOL_01_040615,COCCNN(NC1)CCC1Cc2cc(c(Cl)cc2)-c(ccn3)nc3CNC4=NCOCN4 -MOL_01_040616,c1cccc(c12)CC(C2)C(N)c3c(O)cc(O)c(n3)Nc4ccc(F)cc4 -MOL_01_040617,c1ccccc1NC(=N)C2=C(N)NC(N)NC2c(c3)ccc(CN)c3CC -MOL_01_040618,c1cccc(c12)N(NC(=O)C2)C(=O)CCc3ccn(c3)Nc(cc4)ccc4NC -MOL_01_040619,c1c(F)c(F)cc(F)c1CC(N)CC(=O)n2cccc2C(=O)NCc3ccc(O)cc3 -MOL_01_040620,O1CCCc(c12)cc(F)cc2CCC(N)NC3CNN(NN3)c(c4CO)ccc(c45)cccc5 -MOL_01_040621,[*][*]NC(=C)c1c(OC)ncc(c1)C2=CCC2C3C=N3 -MOL_01_040622,FC(F)(F)c1ccc(cc1)NCc2c(-c3cccnn3)nn(n2)-c4cccnc4 -MOL_01_040623,CC(C)Nc1ccc(nc1)NNCn2cncc2-c(cn3)ccc3C -MOL_01_040624,FC(F)(F)CCc(n1)cccc1CC(=N)C(NC2)=CC23C=CC(CC3)C(=N)c4c(F)cccc4F -MOL_01_040625,C1CCCN=C1C(F)(F)c2c(c(Cl)cc(Cl)c2)OCC(O)NC(O)CC(O)O -MOL_01_040626,n1ccccc1-c2ncc(SCC(C)CC)n2CCc3cccnc3 -MOL_01_040627,NCOc(cc1)ccc1CCCC(=C)c(cn2)c(O)n(c23)cc(n3)C4CCCOCC4 -MOL_01_040628,C#Cc(c1)ccn(c12)ccc2CNN(C)S(=O)c(ncc3)c(C)c3C(C)C -MOL_01_040629,c1ccccc1NCC(C)c(c2)cn(c23)cnc(c3)-c4cc(N)ccc4 -MOL_01_040630,NCNCC(C)CCc1c(cccn1)C(CC2)Nc(c23)nccc3 -MOL_01_040631,c1ccnc(c12)ccc(C(C)N)c2CCc3c(C(C)N)ccc(c34)nccc4 -MOL_01_040632,c1ccccc1-c(nc2)c(F)cc2C(N)C(=O)CNC(O)CNCc3cncc(n3)F -MOL_01_040633,FC(F)(F)c1cc(ncn1)N(C2)\C=C(Cl)\N=C/C=C/C(C23)NCC3 -MOL_01_040634,C1CCCC=C1c2cc(-c3ccccn3)cc(c2)Nc4cnccn4 -MOL_01_040635,NCCCC(=O)c1c(N)n(c(C)c1)Cc(cc2)cc(c23)OCC3 -MOL_01_040636,c1cc(F)ccc1C(c2ccc(F)nc2)CNCCCC3(CC)C(=N)C=CN3c4ncncn4 -MOL_01_040637,c1ccnc(c12)C(CCN)CC=NC2c(cc3F)ncc3 -MOL_01_040638,ClCCC(CO)C(=O)CC([*]1)CCc(c12)ncnc2CC(C3)CC[*]C3Cl -MOL_01_040639,c1cccc(CN)c1CC(=C)Cc2ccc(nc2)-n(c(c3)N)c(c34)cccc4 -MOL_01_040640,c1c(Cl)c(N)cc(OC)c1C(=O)NC2CCN(NO2)OCN3CCCCO3 -MOL_01_040641,CCc(n1)cnn(c12)nnc2NCCC(=O)/C=C/c3ccc(cc3)Cc4c(F)nccn4 -MOL_01_040642,n1cccnc1CC(N)COc(ccc2)cc2-c(c3)cnc(c34)nnn4C -MOL_01_040643,Cc1ccc(nc1)CC(=O)NCC(c2cccnc2)C(CC3)CC=C3c4ccncn4 -MOL_01_040644,Cc(n1)cccc1CC(=N)C2CCC(NC2)Cc3cc(N)c(cn3)\N=C\c4c(OC)cccn4 -MOL_01_040645,CC(C)N(CC1)C=CC1Nc(cc2)ccc2C3(CCOCC3)CNc4cccnc4 -MOL_01_040646,C1CCCCC=C1C(N)(N)c2nc(cnn2)CC(=N)Cc(nc3)ccc3Cc4ccccc4 -MOL_01_040647,FC(F)(F)c(c1)cnc(c12)ncnc2CCC(=O)CC3CN(C3)CCCCc4c(NC)ccnn4 -MOL_01_040648,c1ccc(OC)cc1CCC(=C)Cc2ncn3c(N)cc(c4c23)cccc4 -MOL_01_040649,CC(C)(N)C(N=C1)=C(C1=2)CNCC2NNc(c3)ccc(c34)nccc4 -MOL_01_040650,CC(N)NOc(c(c12)NCC1)ncc2NCc(cc3)ccc3CCc4ccc(F)nc4 -MOL_01_040651,CC(O1)Nc(c12)cccc2-c3cc(ccc3)Nc4c(OC)cc(nc4)ON -MOL_01_040652,NC(=O)c1c(C(F)(F)C)ccc(c1)NC2=CCC(CC2)NC(O)Nc(ccn3)cc3C(F)(F)F -MOL_01_040653,N1CCN(C1CO)c2c(nccn2)Oc3ccc(nc3)Nc4ncccn4 -MOL_01_040654,c1cncc(c1=2)=NC(=C)C(=O)C2C3CCC(CC3)/C4=C/C=C\NONC4 -MOL_01_040655,c1cccc(O)c1C(NC2)=CC=C2C(=N)c3ccc(cc3)C4(C=C4)Cc5c(C)nccc5 -MOL_01_040656,O=c(o1)ccc(c12)cc(cc2C)C(C(C)C3=O)=Nc(c34)cccc4 -MOL_01_040657,N1=CNC=NC1C(c2cncnn2)CC(O)N(C3)CNc(c34)cccc4 -MOL_01_040658,c1cc(Cl)ccc1S(=O)(N)NCC(c2cccnc2)C3=CCN(CC3)Cc4ccccc4 -MOL_01_040659,C1CC(=N)C=C1CCc2nc(cc(c23)cccc3)-c(c4)ccc(c4=5)=CNNC5 -MOL_01_040660,C1=CC1CCc(c2)ccc(c23)CN(CC3N)Cc4ccc(cc4)-c(c5C)ncnc5 -MOL_01_040661,c1ccccc1-c(c2[*])c(=[*])nc(n2C(=C)N)NOc3ccccc3 -MOL_01_040662,c1cc(Cl)c(Cl)cc1CC(N)Nc(ccn2)cc2-c(n3)cncc3C4CCCC4 -MOL_01_040663,COCCN(C)C(=O)c1c(ccc(n1)NC(=O)NC)OON(C)CC2CN2 -MOL_01_040664,c1ncccc1CCC(=O)C(C2)=C(C)ON(C=23)C=C(C=C3)OCC -MOL_01_040665,CNC(=O)c1cc(ccc1)-c(nc2)cc(Cl)c2CCCCCNC3C(O3)O -MOL_01_040666,N#Cc1cc(ccc1)OC2=CCC(CN2)c(c(c3)NN4CN4)cc(c35)cncc5 -MOL_01_040667,c1ccn(c12)ccc(n2)N(NNN3)C3c4c(F)ccc(F)c4 -MOL_01_040668,n1cc(F)ccc1CCCCC(=N)C2C=NCNC2C(O)(O)c3ccc(C)cn3 -MOL_01_040669,c1ncccc1C(=O)CC(C=C2)C(C)C=C2c3cccc(c34)nccc4 -MOL_01_040670,CNNC(O)C(C)CCCc1ccc(nc1)NCc(c2)ncc(c23)nc(C)cc3C -MOL_01_040671,Fc1cccc(F)c1C(O)CC(C)Nc2cc(cnc2)Oc(nc3)ncc3Cl -MOL_01_040672,c1cncc(c12)cc(C(F)(F)F)nc2CC(N)CC3=CC=C(NC3)c(c4C)ccnc4 -MOL_01_040673,c1cc(Cl)ccc1CCNC(=O)CCCc2coc(n2)-c3ccc(cn3)OCC -MOL_01_040674,c1ccccc1N(CC2)CCN2C(=O)CNC(N3)=NC(=C)N(C=34)C=CC=C4C -MOL_01_040675,CNC(=O)COc(cc1)cc(c1n(c23)ccc2)Oc4c(C3)ccc(c4)CC -MOL_01_040676,c1cccc(Cl)c1C(=O)CC(CCSC)C(O)C2=CC=C(NC2)c3ccccn3 -MOL_01_040677,c1cccc(c12)nc(cc2C)CC(N)Cc3nc(O)nc4ccc(c5c34)cccc5 -MOL_01_040678,COCCC1(CCC1)Nc2c(N(CN3)N=C3C)cc(cc2)-n(c4)ncc4CCN -MOL_01_040679,c1ccccc1NC(NNC=O)c(c2)c(CCCCN)nc(c23)nccc3 -MOL_01_040680,NC(=O)c1ccc(cc1)-c(n2)cc(cc2C)C(NC3)CC3CC -MOL_01_040681,c1ccccc1NNC(=N)c2ccc(cc2)NC(=N3)C34c5c(C=N4)cccc5 -MOL_01_040682,Cc(c1)cn(C)c(c12)nc(c2)CCc3c(C)cn(c3)-n4cccn4 -MOL_01_040683,C1=CCCc(c12)cc(cc2)-c(c3)nc(=N)n(c34)cccc4 -MOL_01_040684,COC(=O)CC(=C1)CC(c(c12)cncc2)NCC(CC3)CC=C3c4ccccc4 -MOL_01_040685,CCC(=O)Nc(ccc1)cc1Cc2cc(c(Cl)cn2)Nc(c3C(=O)NC)cccc3 -MOL_01_040686,CNC(=O)Cc(nccc1)c1Cc2ccc(cn2)NCc3c(Cl)c(CC)cc(c3Cl)CN -MOL_01_040687,c1nccc(c1C(=O)C)NNC(=O)N2NC(=N)Nc(c23)cc(C(F)(F)F)cc3 -MOL_01_040688,N1CCCC1CCNC(=N)c2ccc(cn2)Nc(c3)ccc(c34)nc(cc4)-c5ccncc5 -MOL_01_040689,c1c(Cl)c(N)cc(OC)c1C(=O)OCCC(CN2)OC=C2c3ccccn3 -MOL_01_040690,CC(F)(F)c1cc(C(F)(F)C)nc(c1)C(O)CNCn(c(C)c2)c(c23)cccc3 -MOL_01_040691,c1cc(C=N)cc(n2)c1c(=N)n(c23)cc(s3)Cc4c(C)cccc4 -MOL_01_040692,c1cc(F)ccc1CC(CO)NNCC(C)Nc(cc(c2)CC)c(c23)nccc3 -MOL_01_040693,C1CCCC1C(N)Nc(nc2)ncc2-c3cnnc(n3)Nc(nc4)ccc4C5CCCCC5 -MOL_01_040694,Nc1cc(oc1)-c(nc2)ccc2C(NC)NCCOc(c3N)cccc3 -MOL_01_040695,c1ccc(F)cc1CC(NCN)CC(C2=O)NN=CN2c(cc3)ccc3CCCC -MOL_01_040696,CN(C)CCNC(=C)c1c(C(C)O)c(ccc1)N(C)C(N)c2ccccc2 -MOL_01_040697,N1CNCC1CCN(COC)c(c(N)nc2C)n2Cc3cc(Cl)ccc3 -MOL_01_040698,FC(F)(F)c1c(Cl)c(ccc1)CNC(C)C(NCC2=O)=C2C3=CCCN3 -MOL_01_040699,NN(O)CC=1C=CC(\C12)=C(OC(=O)C)\C(c3ccccc3)N\C=N/C=C\C=C\2 -MOL_01_040700,NCC(C)CNCCCCCC(c1c(C)cc(Cl)cn1)c2c(C)nc(Cl)cc2 -MOL_01_040701,n1cnccc1\C=C\c(cc2)n(c23)ccc(c3)Cc(nccc4)c4C(C)NOC(C)N -MOL_01_040702,c1cccc(c12)cncc2N(CN)Nc3cc(oc3)-c4ccc(nc4)ON -MOL_01_040703,NCc(c1)ccc(c12)nn(CC)c2N(C)Cc3ccc(C)cc3 -MOL_01_040704,CC(=O)N([*]1)C=CC=C1c(ccc2)cccn(c23)N4CC(C3)CNC4 -MOL_01_040705,c1nc(Cl)cc(C(C)C2=O)c1Oc(c23)ncnc3 -MOL_01_040706,c1ccccc1C(C)COCc2ccc(nc2)-c([nH]cc3O)c3Cc4cccnc4 -MOL_01_040707,CC(N)c(c1)ccc(c12)n(CCC)c3c(c2=O)cccn3 -MOL_01_040708,n1nc(Cl)ccc1CC(=N)Nc(c2)ccc(c2-n3nnnc3C)OCCN4CCN(C)CC4 -MOL_01_040709,C1COCCC1c(cnc2)cc2-c3cccc(n3)Nc4ccnnn4 -MOL_01_040710,c1cc(Cl)ccc1C(N(CO)CC2)CC2C(=N)c3cnc(o3)-c4ccccc4 -MOL_01_040711,c1ncnc(c12)n(c(n2)C)NCCCN(NC3)CC=C3c4ccccn4 -MOL_01_040712,CC(F)(F)C(C(F)(F)F)OC(=O)C(N1)C=C1c2cn(nn2)-c3ccccc3 -MOL_01_040713,OCCCNCC(=C)Cc1cc(ncc1)-c(o2)ccc2-c(cc3)ccc3C -MOL_01_040714,c1cc(Cl)cc(Cl)c1C(=O)NCC(N)c(c2)cnc(c23)cccc3 -MOL_01_040715,FC(F)(F)Cc(nc1)ccc1-c2cc(ncn2)NCC(O)c3cccnc3 -MOL_01_040716,FC1=NCC(CC1)CCNOC(C=C2)=CN(C2=3)C=NC=CC3c(cc4)ccc4CN -MOL_01_040717,C1NNC(C)=C1C(=O)c2cc(CC)c(cc2)Cc3ccc(Cl)c(n3)NC -MOL_01_040718,c1nccn1-c(cc2)c(cc2C(F)(F)N)NC(=O)CN3/C=C/C=C\C=C/CN3C -MOL_01_040719,C1C=C1CCC(=N)c2ccc(nc2)CCc3c(C)onc3-c4ccc(N)cc4 -MOL_01_040720,C#Cc1cc(F)c(cn1)-n(c2)ccc2C(=N)Cc3cc(F)c(cc3)C4CNCNC4 -MOL_01_040721,CCC(=O)c1c(cccc1)NC(=O)Cc(cc2)n(c23)cccc3 -MOL_01_040722,c1ccccc1OCC(=O)Nn(n2)cnc2-c(nc3)ccc3C(C)N -MOL_01_040723,CCNC(CC1)[*]C1[*]2CCC(CC2)Cc3ccc(cc3)NC4N(O4)c(cc5C(F)(F)F)cnc5 -MOL_01_040724,C1CC1N(C(=O)C)Cc(ncc2)n(c23)ncc3CNCCCC(C)CC -MOL_01_040725,CC1C(O)[*]CC(C1)Oc(c2)nc(C3CCCNC3)cc2C4CCCCC4 -MOL_01_040726,n1cccc(c1C(F)(F)F)NC(N)CSC(=CC2=C)Nc(c23)ccc(Cl)c3 -MOL_01_040727,CC(=O)NCCc1c(ccc(n1)C)-c2cc(F)cnn2 -MOL_01_040728,CC(C)N(CC1)Nc(c12)cc(nc2)OCC3C=CN(CN3)Cc4c(C)cccc4 -MOL_01_040729,FC(F)(F)c1cc(ccc1)-c(cn2)ccc2/C=C/N(C(C=34)CCC3N)/C=C/C(F)=C\C=C\C4 -MOL_01_040730,c1cccc(C)c1CNC(=N)Nc(nc2)ccc2-c(n3)oc(c34)cc(N)cc4 -MOL_01_040731,c1c(N)ccn(c12)nc(c2)CC(O)CC3CCN(CN3)c4ccccn4 -MOL_01_040732,N=CN(C)C(=O)c1cccc2NC(=O)CCc(c3c12)cccc3 -MOL_01_040733,C1CCCC1CC(O)Cc(c2C(C)N)c(ccc2)ONCCc3cn(nn3)-c4ccccc4 -MOL_01_040734,NC(O)c1ccc(cc1)C2=CCC(N=C2)Nc(nncn3)c3C4CCCCC4 -MOL_01_040735,N1NCCCC1CC(O)C2=C(c(cc3)ccc3C)CC(=N2)c(cc4)ccc4CC -MOL_01_040736,n1cnccc1C2=CN(C(C)=N)N(C2)c(cc3)ccc3NCc4ccccc4 -MOL_01_040737,c1ccnc(c12)cc(nc2)CC(=N)COc3cccoc(=N)ccnc3 -MOL_01_040738,NCC1=CCC(=C1)c2c(cccn2)OC(C3)CC3c(c4)ccc(c45)cccc5 -MOL_01_040739,c1cc(Cl)c(Cl)cc1CC(O)Cc(c2)cnc(c23)cncc3Cc(nc4)ccc4CN -MOL_01_040740,N1CCCCC1C(=S)SCc2cc(nc(n2)C)Nc(c3CC)cncc3 -MOL_01_040741,n1c(F)nccc1CC(=O)Cc2c(Oc3cccc(n3)F)ccc(c2)C(O)NCNC4CCCC4 -MOL_01_040742,OCCCCc1cc(cc(c12)cccc2)-c(cc3)ccc3-c(c4CN)cccn4 -MOL_01_040743,n1c(F)cccc1C(=O)NN2C(N(CC3)CCC23)Cc4cccnc4 -MOL_01_040744,CNC(=O)C1=CC=C(CC1)c(nccc2)c2Cc3ccc(cc3)Nc(cn4)ccc4C -MOL_01_040745,n1cc(Cl)ccc1CC(N)N(C(CO)CC(=O)C)NNc(c2)cnc(OC)c2CC -MOL_01_040746,n1cccc(Cl)c1CC(O)Cc2ccnn2N(OC3)CCC3NO -MOL_01_040747,ON1N(O)N=C(C=C1C)c(cccc2)c2C3=CN(N)ON=C3 -MOL_01_040748,CCC(=C)Cc1c(nccc1)C(O)c2ccc(nc2)-c(nc3)ccc3CC -MOL_01_040749,CN1CCN(CC1)OC(=N)C(C)(c2ccccn2)N3CCCCC3 -MOL_01_040750,CCOc(c1)c(CCN)cc(c12)ccnc2Nc(c3)cnc(F)c3Cl -MOL_01_040751,CCCc1c(cccc1)C2N=CN(CN2)Cc3nnn(c34)cccc4 -MOL_01_040752,C1CC1C(=O)Nc(c2)ccc(c23)cc(nc3C4CC4)-c5c(F)cccc5 -MOL_01_040753,C1COC=CC1CC(=O)Nc(c2)ncc(c23)ccnc3Nc(n4)ccc(Cl)c4C(F)(F)F -MOL_01_040754,c1c(F)c(F)cc(F)c1N(CC)C(N)CCc2cccc(n2)-c3ccncc3 -MOL_01_040755,c1cccc(NCO)c1CCC(/N=C\O2)CCc(cc3)cc(c23)OC -MOL_01_040756,c1c(F)nc(cc1F)N2NCC(C2=O)CCN3C/C=C\N=C\N=C/C3 -MOL_01_040757,c1cccc(Cl)c1NC(=O)CC(C(=O)N(C)c(c23)cccc2)C=C3c4ccccc4 -MOL_01_040758,CCc1ccc(cc1)CN/C=N/NN(C=O)c2c(ncc(Cl)c2)N3CCNC3 -MOL_01_040759,CC(=N)c1cc(n2c(=C=3)c13)cc(=O)cc2CC -MOL_01_040760,c1cc(Cl)ccc1COCCn(c2)c(-c3c(Cl)cc(Cl)cc3)cc2C4CNNNC4 -MOL_01_040761,c1ccc(F)cc1C(NC(C)N)Cc2nccc(c23)c(CN)cc(c3)OC -MOL_01_040762,FC(F)(F)c1ccnc(n1)Cc2nc(-c3ccccc3)cc(n2)C(CC4C)CC(O4)C -MOL_01_040763,CCONC(=N)Cc1cccc(c12)nccc2 -MOL_01_040764,c1ccccc1CNc(n2)ncn(c23)cc(c(=N)c3N)Oc4c(F)cccc4F -MOL_01_040765,CCOC(=O)c1cccc(n1)NC(=O)Nc2nc(C)nc(c23)cccc3 -MOL_01_040766,Clc1cccc(Cl)c1COc2nccc(c23)c(nc(c3)N)-n4cnnc4N -MOL_01_040767,c1ccnc(c12)c(ccc2)OC(=O)C(Cc3ccncc3)CC(O)CCc4ccccc4 -MOL_01_040768,CCCC(O)Nc(c1)sc(c12)cc(c(c2)-c3cnccn3)NC4CCCC4 -MOL_01_040769,n1ccccc1NC(CC2)CC=C2C(N)CNc(nc3)ccc3-c4ccccn4 -MOL_01_040770,CCCC(O)C([*]1)NC(=C)c(c12)nc(cc2)NSCS -MOL_01_040771,NC(=O)Cc(cn1)ccc1C(=O)NCC(NC=N2)C=C2c(ccc3)cc3CC -MOL_01_040772,c1cnc(N)c(c12)oc(c2C)C(O)NCCc3ccc(CC)cc3 -MOL_01_040773,CNC(N)c1ccc(cc1)CCCCCC(N)Cc(c2)ccc(c23)oc(n3)Cc4ccccn4 -MOL_01_040774,CC1C(=N)CCC(c(c12)cncc2)c3ccccn3 -MOL_01_040775,FC(F)(F)c1cc(cnc1)Cc2nc(CC(C)N)nc(c23)ccc(c3)C(O)O -MOL_01_040776,CCC(=O)N(CC1)CCC1c(nn2)n(c23)ccc(F)c3 -MOL_01_040777,CS(=O)Nc1c(F)cc(cc1)N(C)C(=O)NCc(cc2)c(cc2C(F)(F)C)OCC3CCNC3 -MOL_01_040778,c1cccc(Cl)c1CC(=O)NCCC2CCC(NC2)c3ccccc3 -MOL_01_040779,Cc1ccc(cc1)NC(C)(C)N(C2)C=NN(C=23)CC(NC3)CCc4nccnn4 -MOL_01_040780,FC(F)(F)c1cc(ccc1)/C=N/C(N)NCCCC(N)Cc2nc(CC)cc(c23)nccn3 -MOL_01_040781,FC(F)(F)Oc(cn1)ccc1CCC(CC(CO)NC)c2c(OC)ccnc2OC -MOL_01_040782,n1cccnc1CC(=O)c2cc(-c3cncnc3)c(nc2)C(C)CCCCC -MOL_01_040783,CC(=O)NNc(cc1)cn(c12)c(cc2NN)Cc3c(Cl)ccnc3Cl -MOL_01_040784,c1cccc(Cl)c1N(CO2)CCC2Cc3nnc(o3)-c4ccccc4 -MOL_01_040785,Cc1ccc(cc1)C(N2)C([*])C=C2C(=O)CNC(=O)c3ccc(F)nc3 -MOL_01_040786,c1ccc(N)cc1CNc(c2Cl)ncc(c2)Nc(c3)ncc4c(c5c34)cccc5 -MOL_01_040787,c1cccn(c12)ccc2C(=O)Nc3c(ccc(Cl)c3)N4NCNCN4CO -MOL_01_040788,CC(=O)CC(N)c1ccc(cc1)OC2=CC(CC2)c3c(Cl)ccc(n3)NC -MOL_01_040789,c1cnc(CN)c(c1CC)OC(=O)C(C)C(=C2)NCc(c23)cccc3 -MOL_01_040790,n1ccccc1CCNC(=N)c(c2)cc(CNCc3cn(C)nn3)c4NNc(c5c24)cccc5 -MOL_01_040791,NCc(n1)cc(=O)n(c12)cc(s2)C3=CC=CCC3 -MOL_01_040792,CC(=O)N(C1)N=C1C(=C)c2nc(ncn2)C(C)(C(F)(F)C)c3ccccc3 -MOL_01_040793,c1cccc(c1C(F)(F)F)CC(=N)Cc2c(-c3ccccc3)ccn2CNC(O)O -MOL_01_040794,c1cccc(N)c1C(=N)NCC(c2ccccn2)C3CCc(c34)cccc4 -MOL_01_040795,c1cccc(S(=O)N)c1-c(cc2)ccc2C(=O)Cc(ccnc3)c3C(O)Nc4ccc(Cl)cc4 -MOL_01_040796,OC(O)c1ccc(nc1)-c2cc(-c3ccc(F)cc3)n(c2)NCc4ccccc4 -MOL_01_040797,NC(=O)c1cc(ccc1)NCc2c(C3NCN3)ccc(c2F)-c4ccc(N)nc4 -MOL_01_040798,c1csc(c12)c(nc(Cl)c2)CC(=O)NCCC(C=C3)CC=C3OCc4cccnc4 -MOL_01_040799,C#Cc(c12)ncc(c1)NC(=[*])Cc3c(ncc(C)c3)OC\C=C\C\N=C\2 -MOL_01_040800,c1ccccc1CC(=O)N(CCO)C(C#N)Cc2ccc(cn2)-c(ccc3)cc3CN -MOL_01_040801,c1ncc(N)cc1CCc(cc2)nc(F)c2Cn3cnc(c34)ncc(Cl)c4 -MOL_01_040802,c1cc(N)cc(Cl)c1NC(c2c(F)cccc2)n(c3)ccc3-c4ccccn4 -MOL_01_040803,c1ccccc1C(C)CC2=C(N)C(C)=C2Cc3cc(ncc3)NC(O)c4cnccn4 -MOL_01_040804,c1ccccc1CC(=O)n(n2)c(NCc3ccco3)cc2-c4ccccc4 -MOL_01_040805,O=CCNC(O)CN(C(=C1)O)C(=O)C1(C)c(cc2)ccc2C -MOL_01_040806,n1nc(Cl)ccc1CC(=O)c2cc(ccn2)C3C(O3)Nc(cc4)ccc4C(=O)N -MOL_01_040807,CNCc(cc1)cc(c1CCC)CC2N(O2)CC=3C(=O)C=c(c34)cccc4 -MOL_01_040808,FC(F)(F)c1cc(c(N)nc1)C(N)CCC(=O)CC2=CN(CC2)Cc3cc(OC)c(C)cc3 -MOL_01_040809,c1nc(ON)ccc1CCC2C=C2c3cc(ncc3)-n(c4)nc(c45)cccc5 -MOL_01_040810,n1ccccc1CC(CN2)CC(C2=N)Cn3cnc(c34)nccc4 -MOL_01_040811,CC(C)C(=O)c1ccc(cc1)-c(c2)cnc(N)c2C(=N)Cc3ccccc3 -MOL_01_040812,C=C(C)C(=C1)N=C2C(C=O)C(C3=C12)=CC=C(C3)C(C)(N)N -MOL_01_040813,C1CCc(c12)nc(C=O)c(c2)-c3ccc(cc3)S(=C)C -MOL_01_040814,C1=CC(=O)Cc(c12)nc(cc2)CCCNCC(CC3)CN=C3c4c(N)nccc4 -MOL_01_040815,c1cccc(c12)NC([*]2)NCCCN(CO3)CCC3(O)c4ccc(Cl)nc4 -MOL_01_040816,C#CCC(O)NN(NC1)C=CN1NCC2CCN(CC2)c(ccn3)c(c34)OCC4 -MOL_01_040817,c1ccccc1CC(=O)C2CCC(CC2)c3ncnc(c34)cc(CN)c(c4)CC -MOL_01_040818,s1cncc1-n(c2)cc(C)c2CCc(c3)cn(c34)c(C)ccc4ON -MOL_01_040819,n1nc(N)ncc1-c2c(F)cc(nc2)-c3ccccc3 -MOL_01_040820,CC(=O)Nc(ncc1)cc1-c2ccnc(c23)CC(C=O)C3 -MOL_01_040821,c1nc(C)ccc1C#Cc2c(C)ccnc2N(CC3)CCC34CNCO4 -MOL_01_040822,O=CNc(cc1)ccc1-c2nc(N)n(n2)-c(nn3)ccc3C -MOL_01_040823,c1ccccc1CCc(c2)c(=O)n(N)c(c23)cc(nc3)NCc4ccccc4 -MOL_01_040824,n1ccccc1CN(CC(C(F)(F)F)C)c2cc(ncn2)Nc(nc3)ccc3C -MOL_01_040825,s1ccnc1C(N(C)C)CCC(=O)Nc(nc2)ccc2-c3cc(Cl)c(F)nc3 -MOL_01_040826,CC1(C)C(CN2)C=C(C12C)CNN3C=CN(NC3)Nc4c(F)cc(Cl)cc4 -MOL_01_040827,c1cccc(C)c1CCC(=C)CC(C2(O)O)CC3=NC=C(C234)C=CC=C4 -MOL_01_040828,FC(F)(F)c1cc(ccc1)C(O)NC(CC2)CC=C2CNc3cccc(c34)nccc4 -MOL_01_040829,n1ncccc1N(N=CN2)C2CNCc3cc(nnn3)-c4ccccc4 -MOL_01_040830,O1COc(c12)cnc(c2)NC(=O)N3CCN(CC3)c4ccc(F)cc4 -MOL_01_040831,n1ccnc(C)c1CCC2CCC(CC2)S(=O)(=N)Nc(ncn3)cc3Nc(c4C)ccc(F)c4 -MOL_01_040832,CC(N1)Oc(c12)cc(nc2)NC(=O)c3ccc(nc3)OCCNC -MOL_01_040833,NCc1ccc(cc1)-c2cn(cn2)CCCCNc3cccc(c34)cc(Cl)cc4 -MOL_01_040834,CCC(=C1)N=C(C1=2)C(CC2)c(c3C)c(N)cc(c3)N -MOL_01_040835,N#Cc1ccc(cc1)Cn2cncc2CN(CCC3CCNCC3)C(C4C)CCN4Nc5cccnc5 -MOL_01_040836,c1ccc(F)c(Cl)c1C(=O)CCC(c(cn2)ccc2C(F)(F)F)C3CCONN3 -MOL_01_040837,N[*]c1c(OC)ncc(c1)-c(n2)ncc(O)c2CCCNCCCC(C)N -MOL_01_040838,c1ncccc1-c(cc(c2[*])N)nc2NCc3ccccc3 -MOL_01_040839,n1cc(Cl)ccc1C(S(=C)C)CC(=O)Cc(cccc2)c2C(=O)C3CCOCC3 -MOL_01_040840,C1CCCN1c(c2C(=O)O)cc(cc2)-c3cccn(C(=O)N)ccnc3 -MOL_01_040841,Cc1ccc(cc1)-c(c2)cc(C(CC)C(=O)CN)cc2C(=O)NC(C)CC -MOL_01_040842,N1CCNCC1c(c2[*]C)cc(Cc3cccnc3)cc2N\C=C\C(O)NO -MOL_01_040843,c1cccc(Cl)c1C(=O)Nc(c2CN)ccc(n2)NC(=O)c3ccccn3 -MOL_01_040844,c12c(O2)ccc(c1)CC(=O)CNc(n3)cc(cc3C(F)(F)F)-c4cc(OC)c(cc4)OC -MOL_01_040845,N#Cc1ccc(cc1)-c([nH]c2)cc2-c(nc3)ccc3Cc(ncc4)cc4C(=O)CN -MOL_01_040846,C1C=C1c(c2)ccc(c23)CN(C3(N)N)c(cc4)cc(N)c4-c5c(F)ccc(F)c5 -MOL_01_040847,o1nccc1NNc(nccc2)c2C(=N)OCC(N)Cc(c3)ccc(c34)OCC4 -MOL_01_040848,Oc1cccc(c1C(=N)O)-c(c(c23)cc(F)c(c2F)O)ccc(F)c(=N)c(F)co3 -MOL_01_040849,C1CC[*]C1CNC(O)n(cc2)cc(c23)ccc3-c4c(OCN)cccc4 -MOL_01_040850,C1=CC1CNCC(=O)c(ccc2)c(c23)nc4c(c3C)ccnc4C -MOL_01_040851,c1ccc(Cl)cc1C(NC2)CCC2CCNSc3cn(nn3)-c4cnc(Cl)nc4 -MOL_01_040852,c1ccc(F)cc1CNc(ccn2)nc2-c3c(Cl)ccc(c3)NC4=CCC(N(C)N)NC4 -MOL_01_040853,c1ccccc1COC(=O)Cc(c2O)ccn(c23)c(cc3)Nc4ccc(Cl)nc4 -MOL_01_040854,c1ccn(c12)N(C(=O)CCC2)Cc3ccc(nc3)C4CCCNCC4 -MOL_01_040855,c1cc(Cl)ccc1Cc2c(C(=O)CCN)cnc(c23)c4c(cc3)nccc4 -MOL_01_040856,o1ccnc1-c2ccc(nc2)Nc3ccc(nc3)C4CNCCO4 -MOL_01_040857,C1NOCCN1CCSc(o2)ncc2CNc(cc3)cc(c34)nc(O)cc4C -MOL_01_040858,c1cc(F)ccc1C(c2ccc(F)nc2)CCCNCCNN -MOL_01_040859,c1cccn(c12)c(nc2)CC(N)COc3ccc(Cl)c(c34)ccc5c4nncc5 -MOL_01_040860,c1ccccc1NCC(N)CCc2cccc(c23)ccnc3 -MOL_01_040861,CC(=N)N1CN(C1)Nc(cc2)cc(F)c2-c(c3)cc(c34)nn(cc4)Cc5ccncc5 -MOL_01_040862,c1cc(F)nc(c1CN)-c2ccc(cc2)-n(n3)ccc3-c4ccncc4 -MOL_01_040863,O=Cc(c1O)ccc(c12)nc(C)c(n2)Cc3c(F)c(Cl)ccn3 -MOL_01_040864,Cc(n1)cnc(c1CC)-c2ccnc(n2)-c(cc3)ccc3CN -MOL_01_040865,c1cccc(F)c1Cc2ccn(c23)c(NC)cc(c3)-c4cncnc4 -MOL_01_040866,N1CCCCC1Cc2cnc(o2)-c3c(N)cc(cc3)SCc4ccccn4 -MOL_01_040867,n1cc(Cl)cc(F)c1-c(c2CN)cc(cc2N)-c(cc3)ccc3C -MOL_01_040868,c1cccc(Cl)c1N(CC(O)OCC)Cc2nc(C3CCONC3)nc(n2)N4CCOCC4 -MOL_01_040869,c1ccc(C)cc1C(=N)C(=C2)CCc(c23)nn(c3)CNc4cc(F)ccc4 -MOL_01_040870,CC(N)c1c(C)nc(NC(=O)CCC)cc1NCCc2cncnc2 -MOL_01_040871,c1ccccc1CC(N)C2CCC=C2C(=N)Cc(cn3)ccc3\C=C\c4ccc(cc4)NC(=O)C -MOL_01_040872,c1cccc(c12)nc(-c3ccccc3)nc2CCc4ccc(cn4)-c5cccnc5 -MOL_01_040873,OCOc(cc1)cc(c12)CC(C)C(C(=O)C3CC3)C=C2N4C=CN(N)C=C4 -MOL_01_040874,ClCCC(NCCl)CCNNCCc1c(cccc2)c2nc(c13)ccc(c3)CC -MOL_01_040875,c1cccn(c12)nc(c2)C(=O)C3=NCN(CC3)NNc4ccccc4 -MOL_01_040876,n1c(F)cccc1-c2cc(-c(nc3)ccc3C(C)O)cc(c2)N(C=N4)N=CN4CC -MOL_01_040877,Nc(n1)cc(C)nc1CCNC(=O)C(CCC2=O)C=C2Cc3c(F)cccc3 -MOL_01_040878,c1ccccc1-c(c2)ccc(CNC(C)N)c2Cc3ccc(cc3)-c4ccccn4 -MOL_01_040879,c1cccc(c1C(F)(F)F)NC2=CCC(CN2)c3cnc(nc3)-c(s4)nnc4CC -MOL_01_040880,N1CCCC1NC(=O)CCc2cc(-c(cc3)ccc3C)c(cn2)-c(cc4)ccc4C -MOL_01_040881,C=S(C)OCC1=CC(CN)c(c12)nc(cc2)CCc3ccccc3 -MOL_01_040882,n1cc(Cl)ccc1CC(O)NCc2cc(ccc2)NC(N)c3ccn(c34)ccnc4N -MOL_01_040883,FC(F)(F)c1c(Cl)ccc(c1)NC(=O)Cc(nc2)ccc2Cc(ccn3)cc3C(=O)N -MOL_01_040884,c1cnc(CC)cc1CCC2=NC(c3ccccc3)=C(C2=O)c4ccccc4 -MOL_01_040885,CC(O)c1cc(C)n(c1)OCCNCc2ccc(nc2)-c3ccc(N)nc3 -MOL_01_040886,FC(F)(F)CCC(=O)Nc(n1)nccc1-c(cc2)n(c23)ccc(c3)-c4ccccc4 -MOL_01_040887,CC(C)CC(=O)Cc(c1)c(n(c12)CCC[*]2)OCN(C3)C=C3OC -MOL_01_040888,c1cc(F)ccc1CCCCNCNCC=2C=NC(C23)=C(C)C(=O)N(C)C3=O -MOL_01_040889,CC(=O)Cc1c(F)ncc(c1)Nc(nccc2)c2-c(cc3C)cc(n3)N -MOL_01_040890,CC(C)CNCc(cccn1)c1C(C=O)NC(=N)C(C)NC(=O)Cc2cc(F)cc(F)c2 -MOL_01_040891,n1ccncc1CCNc(nc2)nc(c2-c3nc(Cl)ccn3)-c4ccccc4 -MOL_01_040892,CC(=O)Cc(nc1)c(Cl)cc1C(=O)Cc2c(nnnn2)C3C=COCC3 -MOL_01_040893,NCCCCc1c(c(N)ccc1)-c2ccc(cc2)-n(nn3)cc3-c4c(N)cccc4 -MOL_01_040894,NC(O)C1CCC(CC1)CCc2cc(-c(ccc3)cc3CN)cc(n2)-c4ccccc4 -MOL_01_040895,c1cccc(c12)cc(nc2C)CCC(=O)C3C=CN(CC3)c4cccc(N)c4C -MOL_01_040896,CN1C=CN(C=C1C)C(=O)CCc(nc2O)nc(c23)nc(C)cc3C -MOL_01_040897,Oc1nccc(c12)cc(cc2)CCCCN3C=CN(CC3)c4cccc(c45)scc5 -MOL_01_040898,C1NCCC1CC(=N)c(n2)nc(O)n(c23)cnc3Nc4ccnc(n4)Cl -MOL_01_040899,c1cncc(C)c1C(F)c2c(nc(s2)N)-c3ccccc3 -MOL_01_040900,C1CNCCCN1c(c2)ccc(c2c34)Cc3c5c(cc4)cc6c(c5)ncnc6 -MOL_01_040901,c1cc(C(N)N)nc(c12)n(cc2)C(CC=O)Cc3ccccc3 -MOL_01_040902,c1cc(F)ccc1C(=O)N2CCN(CC2)NCn(c3=O)[n+]([O-])nc(c34)cccc4 -MOL_01_040903,CNCCC(=O)c1ccc(cc1)NC(=O)c2nc(C)nc(c23)cncc3 -MOL_01_040904,c1c(Cl)cc(Cl)cc1CC(=N)Nc(nccc2)c2C(=O)NC3=CCCCC3 -MOL_01_040905,CNc(n1)cc(ON)cccc(C2CCCOC2)cc1-c3ccccc3 -MOL_01_040906,c1ccccc1C(C)NC(=O)Nc(nc2)cn(c23)cnc3ONC4CCNO4 -MOL_01_040907,COc(cc1)c(OC)ccnc(cc1C)C(\C=C(\C=23)C=CC2)CCCCNC3=O -MOL_01_040908,FC(F)CCC(C)c1cc(-c2cc(c(N)nn2)OC(F)F)cc(n1)C3CC(C3)O -MOL_01_040909,CCC(F)(F)c(cn1)cc(c12)NCC2(C)N -MOL_01_040910,c1ncnn(c12)c(N)c(c2)NC(C)CC3CCNN3c4ccccc4 -MOL_01_040911,n1c(Cl)ccc(OC)c1CC(=O)COC(=O)Cc2cc(OC)c(OC)c(n2)OC -MOL_01_040912,CC1CCN(CC1)c(n2)nc(c23)c3CC(=O)c4cc(ncc4)C(C)Cc5ccc(F)nc5 -MOL_01_040913,n1cccc(c1C)NCCc2cc(Cc(cc3)ccc3C(N)O)nc(n2)CCCc4c(C)nccc4 -MOL_01_040914,CC(O)c1cc(ccc1)NCc2c(nccc2Cl)C(N)c3cc(N)ccc3 -MOL_01_040915,FC(F)(F)C\C1C(=O)/C=C\N=N/C=c(/c=12)ncc(c2)-c3ccccc3 -MOL_01_040916,NCc1cc([nH]cc2)cc(CC)c1ccn(cc3)cc2ccc4c3c(c45)cccc5 -MOL_01_040917,c1ncccc1-c(ccc2)cc2C(=O)N(NCC)C(=O)NCOc3ccccc3 -MOL_01_040918,O=CCCN(O1)C=CC1n(cn2)c(c23)cccc3N -MOL_01_040919,Cc1cnc(nn1)-c(c2)ccc(c23)cccc3Nc(nc4)ccc4O -MOL_01_040920,c1ccccc1OCNCON2C(N)=NC(C)=NC23CCNC3 -MOL_01_040921,c1cccn(c12)nc(c2)NCc3c(N)cnc(c34)cccc4 -MOL_01_040922,N#Cc1ccc(cc1)-c(nc2)ccc2C(=C3C)C(C3)NCSO -MOL_01_040923,ClCC(=O)n1c(=N)[nH]c(c1C)-c2ccc(Cl)cc2 -MOL_01_040924,c1cccc(c12)NC(C)N2C(=O)CN(NC3)CCC3Cc4c(Cl)cccc4 -MOL_01_040925,N=CCNc1nccc(c12)cn3c2CCNC3 -MOL_01_040926,FC(F)(F)c1cc(ccc1)N(C=C2)C=CC2C(O)c(cc3)c(=N)n(c34)ccnc4 -MOL_01_040927,CCCN(N)CC1=NN(CC1NC)N(O)c(c2CC)cnc(n2)C -MOL_01_040928,C1NCCCC1CCc2cccc(n2)-c3c(Cl)ccc(c3)NC4CCC(N)CC4 -MOL_01_040929,c1nccc(c12)N(C(C)C2)C(C[*]N)CNCCCC=O -MOL_01_040930,c1ccccc1C2C(C(=O)NCCC)CCc(c23)cc(OC)c(c3)NC -MOL_01_040931,c1ccc(F)cc1-c(c2C)cc(cc2N)NC3CNCc(c34)cccc4 -MOL_01_040932,Cc1nccc(C)c1CC(=O)N(CCSC)C2=CCC(CC2)c3ccc(F)cc3 -MOL_01_040933,c1ccccc1CNC(=C)c2cn(c(=N)c(c23)cccc3)-c4ccc(cc4)ON -MOL_01_040934,C1C=C2CNC(=C)Nc(cccc3)c3C(C)/C=c(c4)\c(N)cc(c4c=1c25)cc5 -MOL_01_040935,NNCOCCc1c(Cl)cc(cc1)-c(c2)ccc(c23)n(C)cn3 -MOL_01_040936,c1ncccc1C2(CN2C=N)COc(c3C)cnc(C)c3 -MOL_01_040937,N#Cc1cc(ccc1)-c(nc2)ccc2CNCCCN3CCCC3 -MOL_01_040938,C1CNCC=C1CCCCCCc2cnn(c23)c(ccc3)ONc4cccnc4 -MOL_01_040939,OCCn(cc1)c(c12)cc(N)nc2C3CCCCC3 -MOL_01_040940,O1COc(c2)ccc(c12)/C=C3\C(=O)N(C)C(C3)CNCNCc(c4)ccc(c45)CC=C5 -MOL_01_040941,NCC(N12)CN(CC2)C(C1)c(n3)cccc3-c4ccccc4 -MOL_01_040942,CNC(=O)c1cc(ccc1)Cc2nc(ccn2)C(C3)C=C3Oc4cc(Cl)cc(Cl)c4 -MOL_01_040943,n1cc(C)ccc1C(O)Cc2ccc(nc2)Nc3c(ccnc4)c4cc(c35)cccc5 -MOL_01_040944,c1cc(F)ccc1C(=O)CCCN(CC2)CCC23C(O)C(CCC)CN3c4ccccc4 -MOL_01_040945,c1cccc(c1C)OCC(=O)Cc2cc(Cl)c(cc2)C(C3)CCN(C3=4)C(=O)C(C)C4 -MOL_01_040946,C1CC(O)CCC1Nc(c2)ccc(Cl)c2-c3cncc(n3)NNC4CCCOC4 -MOL_01_040947,Clc1nc(F)cc(Cl)c1Cc(c(c23)ccnc3N)nc4c2cccc4 -MOL_01_040948,CNCC(C(O)=NC1)[*]C12CCN(NC2)c(cc3C(F)(F)F)cc(n3)C -MOL_01_040949,c1cc(F)cc(F)c1\C(\C=C/2\C(N)O)=N\C=C(C(=C)\C=C\2)\c(c3)ccc(C)c3C -MOL_01_040950,c1nc(Cl)c(Cl)cc1C(O)Nc2cc(cnc2)NC3CCN(CNC3)Cc4ncccn4 -MOL_01_040951,c1cc(C(=O)O)ccc1C(=N)c2ccc(cn2)CC(N)COc(cnn3)cc3C -MOL_01_040952,n1cccc(c1CC)ON(NC2)C(O)C2NNN(CO3)Oc(c34)cccc4 -MOL_01_040953,Cn(c1)ncc1C(=O)CCc(c2)cn(c23)OCC(N3)CC4CCOC4 -MOL_01_040954,c1nc(Cl)ccc1CCC(=C)CCC(=O)CC2NCCc(c23)cccc3 -MOL_01_040955,c1cnccc1CNNC(O)COc(nc(c23)cccc3)c(c2)C4CCOCC4 -MOL_01_040956,n1ccnc(c1C(C)=N)-c(cc2)cc(F)c2-c(nn3)ccc3C -MOL_01_040957,C#Cc1ccc(cc1)C(=O)Cc2cc(ccc2)C34C(=N4)NCCC(C)=C3 -MOL_01_040958,CC(=O)c1ccc(cn1)-c(cc(c23)cccc3)cc2Cc4c(CN)nccc4 -MOL_01_040959,O=CNc(c1)sc(c12)c(ccc2CN)C3CCNNC3 -MOL_01_040960,NC(=O)c1ncc(o1)CCCC(CC)Oc(c2C(F)F)cccc2 -MOL_01_040961,CCc(o1)nnc1CC(NC)C(=O)C2=CN(C(C2)=N)Cc3ccccn3 -MOL_01_040962,c1cccc(c1C(=O)N)CNC(=O)C(CC2)NC=C2Cc(c3C(F)(F)F)cccn3 -MOL_01_040963,c1cc(Cl)ccc1CC(O)CC2=CC=C3C(=O)CNCC(\C\4=C\23)=C\C/C=N\C=C/4\CC -MOL_01_040964,c1cc(F)ccc1CC(=O)Nc(c2C)cnc(c23)nc(C)nc3C -MOL_01_040965,OC1=C(C)C(=O)C(C)=C(C12)C=C(C=2CCCN)CC3=CCN(NC3)c4cc(Cl)ccc4 -MOL_01_040966,[*]c1c(CC)ncn(c12)nc(c2)CNCC(=O)c3ccncn3 -MOL_01_040967,n1nc(Cl)ccc1-c2nc(sn2)NC(=O)CCN(C=N3)CCC3c4ccccc4 -MOL_01_040968,c1ccnc(c1CCN)Nc2c(cnnc3)c3cc(c24)cccc4 -MOL_01_040969,Cc1ncc(nn1)-c(c2)ccc(c23)ccnc3N(C)Nc4cc(Cl)ccc4 -MOL_01_040970,FC(F)C(O)Nc(cc(Cl)c1)c(c12)nn3c2cc(cc3)NCc4ccccc4 -MOL_01_040971,C1CCCN1CNC(=O)c(c2C(=O)C)occ2CNc(ccc3)cc3CCC -MOL_01_040972,c1ncc(N)cc1CC(=O)C(CC2)CC=C2c(n3)scc3-c4ccccc4 -MOL_01_040973,c1cccc(N)c1C(=N)CC(C2)C=CC(=NON3)C2=C(C4)C=3CCc(c45)cccc5 -MOL_01_040974,Clc1c(N)ncc(c1)NCc2c(cccc2)-c3cnc(o3)-c4c(Cl)cccc4 -MOL_01_040975,n1ccccc1CNC(C2(F)F)CC(CN2)Nc3cccc(c34)OCN4 -MOL_01_040976,c1cc(F)ccc1-c2cc(C(=O)N)cc(c23)cc(cc3)CN(C4)CCCC4C(C)(C)N -MOL_01_040977,c1cc(Cl)cc(NC(=O)C)c1CCC(=O)N(NC2)C(N)CC2Cc3ccc(F)cc3 -MOL_01_040978,c1cccc(c12)ccc(c2)C(N)CNCc3ccc(o3)-c(ccc4)cc4C(C)O -MOL_01_040979,CC(=O)Cn(c1)nc(c12)nnc(c2)CCNC(=N)Cc(cc3C(F)(F)F)c(cc3)OCCC -MOL_01_040980,c1cncc(c12)ccc(c2)-c(cc3C(=O)NN)cc(c3)-c(cc4)ccc4C(C)C -MOL_01_040981,c1ccccc1CCCN(C2)C(O)C(/C2=3)CC(=O)O/C=C\c4c(\N3)ccc(Cl)c4 -MOL_01_040982,C1=[*]C=C(C1=2)N=C(C2)C(O)Cc3cc(ccc3)CCc4cc(F)cc(n4)F -MOL_01_040983,C1CCCCN1CCCNc(cnc2)cc2-c3cc(ccc3)Nc4cc(Cl)cnc4 -MOL_01_040984,c1ncncc1NC(=N)c(cc2)nc(c2CC)-c3ccncn3 -MOL_01_040985,CC(=O)n(cc1)c(c12)cc(cc2)CC(=N/[H])\C=C\c3ccccn3 -MOL_01_040986,CC(=O)N(CC1)CC=C1c2ccc(cc2)NCc(o3)ncc3-c4cc(Cl)ncc4 -MOL_01_040987,CNC(=N)c1c(cccn1)CCC(=O)N2CCN(CC2)Oc(c3N)c(F)ccc3F -MOL_01_040988,n1cc(F)ccc1CC(=N)C(C2)C2(c3ccncc3)CCc(c4CCC)cnc(C)c4 -MOL_01_040989,c1ncccc1CNCCCc2ccc(nc2)-c(c3)cn(c34)cccc4 -MOL_01_040990,CCNCCNc(cc1)c(NC(C)N)cc1-c(c(c23)cccc3)nnc2CC -MOL_01_040991,CC(N)CC(=O)C1(C)CCN1Cc2ccc(cc2)-c3cncnc3 -MOL_01_040992,CN(C)c(cn1)ccc1CCC(=COC(=O)O2)C2(CC)Cc3ccccc3 -MOL_01_040993,C1=CC1C(=O)N(N2N)N=NC=C2Cc3nc(O)cn3CCC(C)C -MOL_01_040994,c1ccnc(c12)cc(N)c(c2)\N=C\NNCC(=NC3=O)C(Cl)=C3Cc4ccccc4 -MOL_01_040995,c1cccc(c12)sc(n2)NCc3c(N)ccc(c34)ccnc4 -MOL_01_040996,c1ncccc1NNCCC(O)n(c2)ccc(c3CC)c2c(c34)cccc4 -MOL_01_040997,C1NNc(c12)cc(cc2)C(=O)C3CCC(NC3)c(cc4C(F)(F)F)ccc4 -MOL_01_040998,Fc1nccc(F)c1C2=NNC(CC2)N(CC3)CCN3c4ncccn4 -MOL_01_040999,CCNCNCCCCC(=O)c(c1)cnc(c12)cc(cn2)Oc(cc3)ccc3C(F)(F)F -MOL_01_041000,n1ccccc1CCc2cc(-c3ccco3)cn2C4=NO4 -MOL_01_041001,c1cccc(Cl)c1C(=N)CC2(C=N2)CC(C)(c3ccccn3)c4ccccn4 -MOL_01_041002,CNC(=O)Nc(ccc1)cc1Cc2c(Cl)cnc(n2)Nc3ccc(nc3)OCC4CCCO4 -MOL_01_041003,CCNc(n1)n(CCC)c(=O)cc1-c(c2C)cccc2 -MOL_01_041004,Cl[*]1C(Cl)C(Cl)C(CC1)NC(=S)OCCN(C2C)C(O)c(c23)cccc3 -MOL_01_041005,c1ccccc1C2=CCN(CC2)C(=N)c3c(cccc3)C(=N)OCC(N)Nc4ccccn4 -MOL_01_041006,NC(F)(F)N1C=CC=C(C1=2)N(C(C)N)C(C)=C(C2)Cc3ccc(Cl)cc3 -MOL_01_041007,CCOC(=O)c1ccc(cc1)-n(c2=O)ncc(F)c2Nc3ccc(cc3)OC -MOL_01_041008,c1cccc(c1c23)cc2c(-c4cc(Cl)nnc4)cn(c3)-c(c5N)cccc5 -MOL_01_041009,c1cncc(CN)c1CCC(=O)Cc2ncc(cn2)-c(n3)oc(c34)ccc(Cl)c4 -MOL_01_041010,c1cc(N)cc(c1CC)NC(=C)CC(C)c(nc2)cc(c23)OCC3 -MOL_01_041011,FC(F)(F)c1ccc(cn1)N(CC)CCCC(N)Nn(nc2)c(c23)nccc3 -MOL_01_041012,O=C(O)C1C(C1)c(cc2)ccc2CNc(n(n3)C)cc3-c(cc4)ccc4C(F)(F)F -MOL_01_041013,c1cc(N)cc(OC(F)(F)C)c1C2=NC=CN(N23)C=CC=C3 -MOL_01_041014,CC(N)OOC(O)CCc(cn1)ccc1C(=O)Cc2c(N)ccc(c2)-c3ccccc3 -MOL_01_041015,n1ccc(OC(F)F)cc1C#COC(C=C23)NC(CC2)N3C(=C)OC -MOL_01_041016,n1cccn(c12)cc(c2)Nc3ccc(cc3)Nc4c(nccc4)C(CC5)CC=C5NO -MOL_01_041017,Fc1cccc(C(F)(F)F)c1C(=O)Cc(c2)sc(c23)CNCC3 -MOL_01_041018,C1[*]C=CC1c(n2)nc(C)c(c2[*][*])CCCC(=O)C3CC[*]C3[*] -MOL_01_041019,FC(F)(F)c1cc(N(C)N)c(cn1)NC(=C)Cc(cccc2)cnc(C)cc2C(=O)OC -MOL_01_041020,CC(O)c1cc(c(Cl)cc1)CC(=N)N(C)C(C)N2N=C2Nc(ncc3)cc3CC -MOL_01_041021,c12c(c1)cc3c2cc(cc3)CC(N)C(=N)C(NN4)NC=C4Cc5ccc(Cl)nc5 -MOL_01_041022,CCCC(=O)c1ccc(nc1)OCc2c(coc2)N(NC3)CC=C3F -MOL_01_041023,c1ccccc1CCN(CC=O)C(O)OCc2ccc(o2)-c3ccccn3 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-MOL_01_041040,COC(=O)N(CC1)c(c12)ncc(c2)CNS(=O)=N -MOL_01_041041,c1c(O)c(C)nc(c12)cc(C(C)O)cc2NNc3cccnn3 -MOL_01_041042,ONC(O)OC(=O)c1c(nccc1)Nc2cccc(c23)nc(Cl)cc3 -MOL_01_041043,c1cccc(c1C(N)O)-c2ccc(cc2)Nc3c(NN)nc4c3ccc(c45)c5 -MOL_01_041044,C1\C=N\C=C(\C(F)(F)C)N=C\c2c1ccc3[nH]c(c4c23)cncc4 -MOL_01_041045,n1ccccc1CC(C2C=CCNC2)c(n3)oc(c34)cccc4 -MOL_01_041046,[H]/N=C1\C=C\C=C/N=C/C(=O)N1CCNCN(CC2)C=CC2c(c3F)nccc3F -MOL_01_041047,N#Cc1ccc(nc1)Cc(c2)ccc(c23)nc(cc3)C(=O)C4=NCCCCC4 -MOL_01_041048,CCC(=O)Cc1c(NC(O)CC)ccc(c1)Cc(cc2)ccc2CC(=O)CC -MOL_01_041049,CC(N)Cc1cc(ccc1)NC(=O)C2CCN(CC2)c(ncn3)n(c34)c(C)cn4 -MOL_01_041050,Cc1nn(N)c(=O)c(c2)n1c(c23)ccc(F)c3 -MOL_01_041051,c1cncc(c12)nc(cc2)C(=O)OCC(N)Cc(nc3)c(Cl)cc3C(F)(F)F -MOL_01_041052,c1c(F)cnc(C)c1CC(N)c(c2)cnc(c23)cc(cc3)C4CCNCO4 -MOL_01_041053,OCCC1CCN(NN1)C(c2ccnn2C)c3ccc(cc3)CN(C)C -MOL_01_041054,N#CCc1c(C2CO2)nc(CC)c(c1Cl)O -MOL_01_041055,c1cc(F)c(Cl)cc1Cc2ccnc(c23)nc(c(C)c3)OC4CCOC4 -MOL_01_041056,c1cc(O)c(C)cc1C(=N)Nc(c2C(C)N)ccc(c2)-c3ccncc3 -MOL_01_041057,CC(N)c1c(C)cc(cn1)-c(c2CC)nccc2 -MOL_01_041058,CCCc(c1O)cnc(c12)nc(nc2Cl)OCCc3cnccn3 -MOL_01_041059,CC/C=C(N1)/C(=N\CO)N=C(C12C)C(C)C\C=C3\C(C=C3)=C/N=C/2 -MOL_01_041060,O=CC1=CCN(CN1)c(nc2)c(Cl)cc2CC(N)Cc3ccccn3 -MOL_01_041061,C1CC=CC1Cc2c(O)c(CC3CNNC3)cc(c2)NCc4nnc(Cl)c(c45)cccc5 -MOL_01_041062,CC(=O)Nn1cc(nc1C)-c2cc(OC)ncc2 -MOL_01_041063,CCNCCCCC(=O)Cc(cc1C(O)O)cc(c1)Nc2ccnc(c23)nc(Cl)cc3 -MOL_01_041064,FC(F)(F)c1ccc(cc1)NC2=CCC(CN2)S(=C)(N)c(cc3)ccc3-c4ccncc4 -MOL_01_041065,c1ccnc(c12)NN(C(C2)C=C)C(=O)CCNCNCc3cccnc3 -MOL_01_041066,c1ccccc1CC(N)C2CCN(CN2)c3ccc(nc3)Nc4ccccc4 -MOL_01_041067,c1ccnc(c12)cccc2CC(=O)CCNC(CN)c3cc(N)ccc3 -MOL_01_041068,CCc1ccc(nc1)C2=CCN(C=N2)C(=O)CCc3c(cccc3)CCC(N)c4ccccn4 -MOL_01_041069,c1cc(Cl)ccc1NCC(O)Cc(c2)ccc(c23)nc(cc3)NC4CCNCC4 -MOL_01_041070,C1N=NNN(N2C)N1N3C=NN(C234)N5N4NNCN5 -MOL_01_041071,NCCC(O)C1=CCC(C=N1)C(=C)c(c2)sc(c23)cc4c(c3O)cccc4 -MOL_01_041072,c1ccnc(c1C)-c2cnc(nn2)OC(C)CCNc3cc(ncn3)NCC4CC4 -MOL_01_041073,n1cc(F)ccc1C(N)NNC(=O)c2c(nccc2)CCc3cccc(n3)C4CO4 -MOL_01_041074,CC(=O)CCc1ccc(o1)-c(cs2)nc2C/C(N)=N/CCc3c(CC)cccc3 -MOL_01_041075,CNCc1cc(ccc1)-c(cc2CC(=O)C(Cl)Cl)nc(c2)-c3cc(ncc3)OCC -MOL_01_041076,OCCC(=O)Nc(ccc1F)c(F)c1C(=O)Nc(cc2)cn(c23)ccc3 -MOL_01_041077,c1ccccc1C(O)CC(C)c(cc2=O)oc(c23)c4c(cc3)cccn4 -MOL_01_041078,c1ccc(O)cc1NC(=O)c2c(cc(Cl)cc2)Oc3c(Cl)nc(F)cc3 -MOL_01_041079,OC(O)Nc(cc1)ccc1-c(ccc2F)c(c23)NC(C)CC3 -MOL_01_041080,C=CNCCn1cncc1-c2c(NC)cccn2 -MOL_01_041081,CC1NC(=N)N(C)C(=O)/C1=N/Cc2cccc(c23)C(=N)c4c(C3N)cccc4 -MOL_01_041082,OCCCCCc(n1)nccc1CCNCNc2ccnc(c23)cc(Cl)cc3 -MOL_01_041083,FC(F)(F)c1cc(C(F)(F)C)cc2[nH]c(=O)c(c3c12)ccc(n3)C(O)O -MOL_01_041084,C1CCCNc(c12)nc3n(c2=N)cccc3 -MOL_01_041085,CCC(=N)CCCCCCNC(=O)c1cc(on1)-c2ccc(cn2)NC(=O)C -MOL_01_041086,c1ncccc1C(=C)Cc(nc2)ccc2Cc3cncc(c34)cc(c(c4)OC)NNc5ccccc5 -MOL_01_041087,CCCc(c1)ccc(c12)nc(cc2N)NCC -MOL_01_041088,c1cc(Cl)cc(C)c1Cc(nc(c23)cccc3)cc2N(N)c4cccnc4 -MOL_01_041089,O/C=C/1C(O)Nc(c12)nc(Cl)nc2Cl -MOL_01_041090,CC(C)C(CC)NCNc1cc(C)nc(c12)cn(c2)-c3cnccn3 -MOL_01_041091,CCCCC(=O)c1c(CC=O)ccc(c1)-c(c2C)ncc(F)c2 -MOL_01_041092,CCc(n1)ccn(c12)cnc2Cc3c(F)cc(cc3)NCc4c(OC)cccc4 -MOL_01_041093,C1COCC=C1C(=O)Nc(cc2)cc(OC)c2Nc(n3)ncc(Cl)c3CC -MOL_01_041094,C1=CN(CN)[*]C=C1Cc2c(cccc2)NC(=O)C3C(C)CCCN3 -MOL_01_041095,c1cc(C)ccc1C(=O)Cc(o2)ccc2C(=O)N(C3)CCCC3C(=O)OCC -MOL_01_041096,n1ccc(F)cc1C(=N)CC2CCN(CC2)NC(=O)Nc(c3CCN)cc(cc3)ONC -MOL_01_041097,CCc(cc1)ccc1CC(=O)N(C)CCCCc2ccc(nc2)NC(N)C(C3)Cc(c34)cncc4 -MOL_01_041098,NCc1cc(NC)c(cc1)OCC(=O)NNC(c2ccc(F)cn2)C3CCCCC3 -MOL_01_041099,c1c(F)ccc(c12)n(C)c(c2)C(O)CCCNCc3ccccn3 -MOL_01_041100,O=CCCCCCc1c(cccc1)-c2cncn2CCCCO -MOL_01_041101,C1NCCCN1CC(=N)N(c(cc2)ccc2CC)C(C=N)c3c(Cl)cccc3 -MOL_01_041102,s1cccc1C(NO)C(=C)CCc2c(O)c(C3(CO3)O)ccc2 -MOL_01_041103,c1ccccc1CNC(=N)c(c2O)ccc(c23)nc(cc3)NCc4ccccc4 -MOL_01_041104,Nc1cc(C)c(C)c(c12)nc(cc2)C3CCCCN3 -MOL_01_041105,C1CNCCC1C(N)c2ccc(cc2)-c(c3)ccc(c34)/C=C/CONCCCC\C=C\4 -MOL_01_041106,N1NC[*]C1C(CCN2)C2C(=C)Cc3cnc(cn3)OCNCCC -MOL_01_041107,Fc1c(F)c(F)c(F)c(F)c1C(O)N(OO2)CNC2Cc(c3)ccc(c34)CCC4 -MOL_01_041108,c1ncccc1NC(N)N2C=CN(CN2)C(c(c34)cccc3)/C=C/C=C\C=C\4 -MOL_01_041109,CC(N)c1cc(ccc1)-c(o2)ncc2-c3ccc(nc3)-n4cccc4 -MOL_01_041110,FC(F)(F)c1ccc(cc1)Cc2cc(ncn2)NC3CCN(C3)C(O)Nc4ccccn4 -MOL_01_041111,c1ncccc1CCC(=O)c2c(nccn2)NCC(=O)C3CCC(CC3)Oc4c(Cl)cccc4 -MOL_01_041112,c1cnccc1C(=N)N/C(N=C\c(c2c34)cccc2)=C/C=C=Cc3ccc(c4)S(=O)C -MOL_01_041113,FC(F)(F)NNC(=O)Nc(ccc1)cc1-c(nn2)n(c23)ccc(c3)\C=C\CO -MOL_01_041114,NC(=O)c1ccc(cc1)Cc(cc2)nc(c23)CCC(C3)CCNc4ccccc4 -MOL_01_041115,C1CC1CC(=O)c2c(cccc2)CC(=N)CN3C=CN(C=C3)Nc(c4OC)nc(F)cc4 -MOL_01_041116,Nc1nc(N)cc(c12)cc3c(ccc(Cl)c3)c2Nc4ccc(O)nc4 -MOL_01_041117,CCc1c(CN)cc(cc1)C(CC2)C=CC2CCNCc3cnn(c34)ccc(c4)CN -MOL_01_041118,CC(=O)c(cc1)ccc1C(=N)Cc(cccn2)c2C(=O)Nc(cc3C(F)(F)F)ccc3 -MOL_01_041119,n1ncccc1CC(=O)c2c(ccc(c2)N(CN3)CCC3C)NCc4ccncc4 -MOL_01_041120,CCC(=O)Oc(cccc1)c1CC(c2ncccn2)C3CCN(CC3)C4CCCCN4 -MOL_01_041121,N1=CC=CC1CC2(C)CN(COC2)Cc3ccc(nc3)-c4ccccn4 -MOL_01_041122,CC(C)NCNNC1c(cccn2)c2CNc(c13)cccc3 -MOL_01_041123,CCc(cc1)ccc1C(=O)c2ccc(cc2)-c(cc3)ccc3C(=O)N -MOL_01_041124,c1ccccc1CNC(=O)Cc2cc(CN)cc(c2)NC(N)COc3cccnc3 -MOL_01_041125,c1c(F)cnc(F)c1CC(=O)Nc(ncnc2)c2CC(CC3)CC=C3O -MOL_01_041126,C=C(C)Nc(c1[*])c(C)nc(c1)NCC(=O)Nc(cc2)cc3c2c(c34)[nH]4 -MOL_01_041127,CCNCCc(c1)cc(n(c12)cnc2C(C)N)CCc3ccccc3 -MOL_01_041128,n1ccccc1C(C2CCCC2)(c3cnccn3)c4ccc(CN)cc4 -MOL_01_041129,OCCC(N=C12)CN(N=N2)C1Nc3ccno3 -MOL_01_041130,c1c(Cl)c(C)cc(OC)c1C(=O)OCCC(NC2)NC=C2c3ccccn3 -MOL_01_041131,FC(F)(F)c1cc(ncc1)CCc(n2)ccc(c23)cc(CC)cc3CNN -MOL_01_041132,Clc1ccc(nc1)NCCC(=N)CCC(N)Cc2ccc(nc2)-c3ccncc3 -MOL_01_041133,N#Cc1ccc(cc1)CC(=O)Nc(ncc2)cc2-c(ccc3)cc3C4CCN4 -MOL_01_041134,CC(N)c(cc1)n(c12)cc(cc2O)CN3CCNCC3CCCC4CCCCC4 -MOL_01_041135,CCc(c1)ccc(c1C#N)CCC(C)CNC2CN=C2c(c3)cnc(c34)ccnc4 -MOL_01_041136,Cc1coc(c12)cc(cc2O)-c3ccnnc3 -MOL_01_041137,Clc1cccc(Cl)c1CNc2cccn(c23)c(cc3)C4CCCNNC4 -MOL_01_041138,C1NCC(F)C1NC(=O)c2cc(CCO)n(c2)-c3ccccc3 -MOL_01_041139,N1CCC[*]C1/C=C\2/C(=N)C(CC/2=N\[H])c3cc(Cl)c(F)nc3 -MOL_01_041140,c1ncccc1CNc(c2)ccc(c2C)-c(cc3C)nc(c3)-c4cc(N)ncc4 -MOL_01_041141,c1ccccc1-n2nc(nc2CC(C)C)CNS(=C)c(nc3)ccc3C -MOL_01_041142,CC(N)c1ccc(cc1)CC2=CC(CCC2)Nc(c3)ncn(c34)nnc4 -MOL_01_041143,c1cc(Cl)nc(c1CC)NC(=O)CCc(cc2)cc(N)c2Cc(ccc3)cc3C(=O)NC -MOL_01_041144,c1c(O)n(C)c(c12)ccc(c2)C(=N)CCC(=O)Nc3c(NCN)cccc3 -MOL_01_041145,n1cccc(c1C#N)Cc2cc(ncc2)-n(nn3)c(c34)cccc4 -MOL_01_041146,NCc1ccc(cc1)NC(C)c(c2)ccn(c23)c(nn3)N4NCCN4 -MOL_01_041147,CC(C)CC(=O)NN1C/C1=C\c(c2)cnc(c23)cc(cc3)Cc(nc4)ccc4C(F)(F)F -MOL_01_041148,n1cc(N)ccc1CNC(=N)C2=C(O)C(=O)C(C2)NCCc3ccccc3 -MOL_01_041149,C1C(F)(F)Cc(c12)ccc(c2)NC(=O)c3c(nccc3)CCc4cc(ccc4)NCNCN -MOL_01_041150,c1cc(Cl)cc(c1CC(F)F)-c(c2N)nn(c2)CCO -MOL_01_041151,c1ccnc(c1C(F)(F)F)CCC(=O)c2ccc(cc2)C3CN3C(=O)C(C)OC -MOL_01_041152,CC(O)(O)C1=CC=C(CC1)N(C)C(=O)CC2=CCC(C=N2)c3cccnc3 -MOL_01_041153,CC(C)Oc(c1C(F)(F)F)ccc(c1)C(N)Nc(cc2)cc(c23)CCNC3(C)N -MOL_01_041154,NCC(=O)c1cc(ccn1)Nc(cc2C)cc(n2)-c(c3C)cccc3 -MOL_01_041155,c1cccc(c1C(F)(F)F)NC(=O)CN(CC)C(O)NCC2(OO2)c3cnc(Cl)cn3 -MOL_01_041156,FC(F)(F)c1ccc(cc1)C(C)CC(O)Nc2nccc(c23)cncc3 -MOL_01_041157,CNC(=O)c1cccc(n1)Cc2ccnc(n2)C(CC3)Cc(c34)ccc(c4)OC -MOL_01_041158,c1ccc(Cl)cc1NC(=N)C2CCN(CC2)c(n3)cc(cc3C)Nc(cn4)cnc4C -MOL_01_041159,CCNC(O)c1cc(ncc1)N(CCN2)CC2COc(c3C)cccc3 -MOL_01_041160,Cc1c(C=O)nc(c12)cc(ccn2)-c(cc3)ccc3CC -MOL_01_041161,c1cccc(F)c1C(N(N)CNC2)C2C(=O)CCc3cc(OC)ccc3 -MOL_01_041162,c1ncc(CC)cc1C(=O)Nc(ccn2)cc2CC(CC3)CC=C3C(N)NC4=CCCCC4 -MOL_01_041163,c1cccc(c12)ncc(c2)C(=N)CC(SC)NC(=O)c(c3)cnc(c34)cccc4 -MOL_01_041164,C#CC1[*]CC(CC1)c(n2)nc(cc2C)N(CC3)CCC3CC4CN4 -MOL_01_041165,c1ccnc(c1C)NC(=O)c2ccc(cn2)CNc(nc(c3)N)cc3-c4cccnc4 -MOL_01_041166,C1CNCC=C1CCC(O)c(c2)ccc(c23)nccc3Cc4c(C)ccc(c4)O -MOL_01_041167,CCCCC1NC=CC=C1NCCCc2c(N)cnc(c23)nc(Cl)cc3 -MOL_01_041168,C1CC(O)CCC1N(C2)CC2CC(=O)CCc3nccc(c34)ncc(C(F)(F)F)c4 -MOL_01_041169,NCC(=O)CCC(=O)Nc(cccn1)c1CCc(c2)ccc(c23)cccc3 -MOL_01_041170,c1cccc(c12)n(c(=O)c(n2)C)NC(=O)CC(C(O)CC(C)C)Cc3ccccc3 -MOL_01_041171,[*]1[*]C(N)CC=C1c(c2)ccc(c23)C[*]C=C(C3=O)Cc4ccccc4 -MOL_01_041172,FC(F)(F)c1ccc(cc1)CCC(=O)Cc(c2)ncc(c23)nc(cc3)C4CC(CC4)NC(=O)C -MOL_01_041173,C1NCCCC1CCCCC(N)Cc2c(N)ccc(c2)-c(cc3)ccc3C -MOL_01_041174,CN1C(=O)/C=C\C=C\C=C(C=CC2)\C=2C13C(CCC3)C4NCCN4 -MOL_01_041175,CC(N)c1cc(nnc1)Nc(nc(Cl)nc2)c2NCc3ccc(Cl)cn3 -MOL_01_041176,c1c(Cl)ccc(CCO)c1C(=O)Nc(nc2)c(Cl)cc2C(C)N -MOL_01_041177,Clc1ccc(nc1)NC(=O)CCCN(CC2)C=CC2c(c(O)c3C)ncc3 -MOL_01_041178,N1CCCC(O)C1Cc2cc(ON)cc(c23)ccc(c3)-c4ccc(Cl)cc4 -MOL_01_041179,n1cnccc1CC(O)NC(=O)CSn2nnc3n2cc(c34)cc(C)cc4 -MOL_01_041180,C=C(C)c1ccc(nc1)NC(=C)c(c2)ccc(c23)cc(cc3)C(=O)OC -MOL_01_041181,c1ccnc(c1C(F)(F)F)N2CCN(CC2)n(ncc3)ncc(N(N)O)cc3C(F)(F)F -MOL_01_041182,O=CCc1c(OC)ccc(c1)NC(=O)NCCC(C)(C)Oc(cc2C(F)(F)F)cnc2 -MOL_01_041183,c1cncc(c1C(C)N)CCC2C=NC(c3ccccc3)=C2c4ccccc4 -MOL_01_041184,c1ccc(Cl)c(c1C)NC(=O)Cc(c(c2)C(O)CC(C(O)O)CC)cc(c23)cccc3 -MOL_01_041185,CCN(N1)CC(C)C(=C1C(=O)C)C(CN)Nc2ccc(Cl)nc2 -MOL_01_041186,CC(=O)Cc1ccc(cc1)N(CC2C=CNC2)C(=O)c3c(cccc3)ONCC -MOL_01_041187,CC(N)c1cc(ccc1)Cc2nc(-c3cncnc3)cc(c24)cccc4 -MOL_01_041188,FC(F)(F)c1cc(c(cc1)OC)CC(=O)Nc2ccc(cc2)Oc(cnc3)cc3C(=O)NC -MOL_01_041189,c1ncc(NC(F)(F)F)cc1C(N)C(=O)NCc2c(F)cc(cc2)-c3ccccc3 -MOL_01_041190,Fc1c(Cl)cc(cc1)C2=C(C=C(C#N)C=C3)N3C=Cc(c24)ccc(c4)N -MOL_01_041191,c1cnnc(c12)ccnc2NC(=N)CCc3cnc(nc3)C4CCCNC4 -MOL_01_041192,CC(=O)N(NC1)CCC1c(nc2)cc(F)c2CC(C3=C=C3)C4CCC4 -MOL_01_041193,NCC(=C)c(nc1)cc(c12)C(C)C=NC/2=C\CCNC -MOL_01_041194,CC(O)(O)Oc(cc1)ccc1CN(\C=C\C=C/C=N2)C(N)C(N)/C=C2\c3ccccn3 -MOL_01_041195,O=CNC(C)CC1C=NN(CN1)c2ccc(F)cccn(c23)O3 -MOL_01_041196,c1nnnc(c1C(C)=N)Nc(nc2)ccc2NCc(c3)ccc(F)c3C(F)(F)F -MOL_01_041197,COc(cc1)c(F)cc1CO/C=N/c(c2)ccc(C)c2C(NC)C3CCNCC3 -MOL_01_041198,c1cccc(c12)cncc2\C=C\Cc3ccnc(n3)-c4ccc(nc4)CC5CCC(N)CC5 -MOL_01_041199,n1c(F)cncc1CC(=O)N(C2)CC23CCC(CC3)Nc4cc(ncn4)Oc5ccc(Cl)cc5 -MOL_01_041200,C1CC(N)Cc(c12)nc(cc2)OCCCCN(CC)CCCNc(c3F)cccc3F -MOL_01_041201,CC(F)(F)c1ccc(cc1)-c2c(N)nnccccc(c2)-c(nc3)ccc3F -MOL_01_041202,C1CCCC=C1CC(=O)NNC(O)C2CCOc(c23)ccc(Cl)c3 -MOL_01_041203,c1cc(F)cc(Cl)c1C/C/2=N/C=C/C(=O)/C(=C(/C)\C=C\2O)Nc3ccccc3 -MOL_01_041204,NCNNCc(n1)ncc(Cl)c1-c2cccc(n2)NNc3cc(F)ccc3 -MOL_01_041205,c1c(F)ccc(c12)cc(ON)c(c2)NC(=O)C3=CCC(CC3)c4cccc(n4)Cl -MOL_01_041206,CCNc(ccc1)cc1-c2cccc(n2)NC(/C=C\3)=C/C=C\C=C/3\CN -MOL_01_041207,n1cccn1-c(ncc2)cc2CC(C)c3cc(C)nc(c3)N4CCCC4 -MOL_01_041208,CC(C)(O)n(c1)nc(c1CC(=O)N)CC(O)Nc2c(Cl)c(Cl)ccc2 -MOL_01_041209,COC(CC1)NC=C1C(N)Nc(cnc2)cc2-c3cc(ncc3)Nc4ccc(F)cc4 -MOL_01_041210,CCC(N)C(N)C(=C)Cc1cc(ccc1)-c(cn2)ncc2CC -MOL_01_041211,c1ccccc1Cc2cnc(cn2)N(CC3)CCC3S(=O)(O)c(c4)ccc(c45)cccc5 -MOL_01_041212,C1COc(c12)cnc(n2)C(C)CN3/N=C/N=C\C=C\C(C3=4)C=COC4 -MOL_01_041213,OCCCc1ccc(nc1)CC(=O)CC(C)CNC(=O)c2c(Cl)cccc2 -MOL_01_041214,c1nc(Cl)ccc1-c2cc(-c3ccc(Cl)nc3)cc(c2)C(C4=O)/C=N\C=N/CC4 -MOL_01_041215,c1cnc(NC(=O)N)cc1Cc2cc(ccc2)N(NN3)Cc(c34)nccc4 -MOL_01_041216,NCC(=O)c1ccc(cn1)Cc2ccc(c(c23)ccnc3)-c(cc4)ccc4C -MOL_01_041217,c1nc(Cl)ccc1CC(=N)C2CCN(NC2)C(N)CCc(cc3)nc(c34)CCC4 -MOL_01_041218,CCC(N)c(c1c23)cc2cn(nc3c(=O)cc1)CC4CCOCC4 -MOL_01_041219,CCc(cc1)nc(C(N)N)c1CN(CCC2)C(C3)N2Cc(c34)cccc4 -MOL_01_041220,c1ccc(c12)c3c2c(C(F)(F)F)c4c(c3)c(c(=O)cc4N)Oc5cccnc5 -MOL_01_041221,c1ccccc1C2(CC2)C(=O)NCNC(CC)(CC3C)Cc(c34)ccc(F)c4 -MOL_01_041222,c1ccc(O)cc1-c(ncn2)cc2C(=O)Cc3ccc(cc3)CCCC(C)N -MOL_01_041223,C12COC(O2)c3c([*]C1)c4c(c(c3)C=N)ccnc4 -MOL_01_041224,CCOC(=O)C1=C(C)CC(C)=C(C(=O)OCNCN)N1c(ccc2)cc2C(C)C -MOL_01_041225,[nH]1cccc1C(O)CC(C)c2ccc(cn2)Nc(c3)ncc(c34)cc(cc4)-c5ccncc5 -MOL_01_041226,c1cccc(c1C(=O)C)OCCCCOc(cn2)c(OC)cc2C -MOL_01_041227,C1NC(N2)CC(=C12)/C=C/NC(C#C)Cc3c(F)cc(cn3)C4CCOCC4 -MOL_01_041228,n1cnnc(Cl)c1NC(C2CCNNN2)C(=O)CCc(c3)cc(C(F)(F)F)cc3C(F)(F)F -MOL_01_041229,C1CNCC(C)=C1CCCNc(c2)nc(c(c23)ccnc3CC)CNc4ccnnc4 -MOL_01_041230,c1cc(Cl)ccc1C(=O)N(C2CNCNN2)CCC(C)Cc3cc(F)cc(n3)F -MOL_01_041231,c1cccc(c12)CCC(=C2)C(=N)c3nccn3C(N)NCc4ccccc4 -MOL_01_041232,c1cc(F)ccc1NC(=O)NCNCC(C)Cc2nc(OC)cc(c23)cccn3 -MOL_01_041233,FC(F)(F)c1nc(ccn1)N(CCNC2)C[*]CC2c3cncnn3 -MOL_01_041234,c1cnccc1CCNC(=N)c2cc(on2)-c3c(OC(C)N)cc(F)cc3 -MOL_01_041235,c1ccccc1CCCC(=O)Cc(cc2)c(=O)n(c23)ccnc3NC -MOL_01_041236,c1cc(F)cc(c12)CC(N)C2NCCNN(NC3)CC=C3c4cc(Cl)ccc4 -MOL_01_041237,C\1=C/N\C=C\C(\C(=O)O)=C(Cl)/C=C/c(c12)nc(cc2)N3CCOCC3 -MOL_01_041238,c1cc(Cl)ccc1-c(c(Cl)nc2)cc2C(O)CCCCOCNCC -MOL_01_041239,c1ccnc(c1N)NC(=O)c(c2)cn(c23)cc4c(c3)nc(CN)cc4 -MOL_01_041240,Clc1cccc(F)c1CN(CC=N2)C(C2=O)CC(C)CNCCOc3ccccc3 -MOL_01_041241,[*]=C1C(CC)=NC=C(C\1=2)/C=C/C=N\C(=C\C2)\C(N)NCc3ccccc3 -MOL_01_041242,N#Cc1cc(ccc1)Cc2nc(c3n(c24)ccc4)ccnc3C(=N)O -MOL_01_041243,Cc1c(N)cc(nc1)NC(=O)c2ccn(c2)NCCNCC3CCCNC3 -MOL_01_041244,C1CC1Cc2c(CC(C)(C)C)nn(c23)nc(C(=O)O)cc3 -MOL_01_041245,c1cnccc1CC(NC)Cc2coc(n2)N3N=CC=CN3CCC -MOL_01_041246,C=C(C)CCc1ccc(cn1)-c(c2)nc(C)cc2Cc3nc(ccn3)ON -MOL_01_041247,n1nccnc1Cc2cnc(nc2)Cc3c(cccn3)N(C)CN(N)Cc4cccnn4 -MOL_01_041248,CC(=O)Nc(cc1)cc(c12)nc3c(cccc3)c2Cc(cc4)ccc4CC5=NC=C5 -MOL_01_041249,c1cc(F)ccc1CC(=C)c2c(cccc2)C(=O)NCc3ccc(cn3)-c4cccnc4 -MOL_01_041250,C1CC[*]C1CC2=C(SCC2=O)Cc3ccc(nc3)CC(=N)CCCCC -MOL_01_041251,[*]CC([*]C)CCNc(nc(c12)coc1)c(c2)CCCC(CC)CN -MOL_01_041252,C#CNCc1c(=O)cc(ccc1)-c2ccc(nc2)NCC(OC=O)CCC3CO3 -MOL_01_041253,OCC(C1O)N=C([*]1[*])n(cnc2)ccccc2NCc3cc(Cl)ccc3 -MOL_01_041254,NOC(=O)c1c(nccn1)NC(=O)CC2=CCC(CN2)Cc3ccccc3 -MOL_01_041255,c1ccccc1NCC(CO2)CC2(Nn3cccc3)NCc4ccc(N)nc4 -MOL_01_041256,Oc1cc(N)nc(c12)NCC(C2)ONc3ccccc3 -MOL_01_041257,n1ccc(C)cc1C(N)CC(Cc2c(Cl)cccc2)C(=O)NCCCc3ccc(cn3)OC -MOL_01_041258,CCC(=O)Cc1ccc(cc1)Cc2nc(-c3ccccn3)nc(c24)cccc4 -MOL_01_041259,NS(=O)c(cn1)ccc1CC2C=C2c3ccc(cn3)-c4c(N)cccc4 -MOL_01_041260,c1cc(F)cc(Cl)c1C(=O)Cc2cnn(c(n2)=O)C(N)COCCO -MOL_01_041261,n1cnc(F)cc1C(=O)N(C2)CCCC2N(CC)CCCc3c(F)cccc3 -MOL_01_041262,CCCCNC(=O)Cc1ccc(cc1)-c2nnnn2-c3cnc(Cl)cn3 -MOL_01_041263,NCc1cc(ccc1)NC(N)Cc2ccc(cc2)Cc3cccc(c34)Cc5c(N4)cccn5 -MOL_01_041264,CNC(=O)CC(=C1)CC(c(c12)nccc2)C3CCC(CC3)C4CCCCCCNNC4 -MOL_01_041265,NCC(=O)c1cc(ncc1)NC(C2=C)C(=O)CC2Nc(c3C)cccc3 -MOL_01_041266,n1cscc1CCc(c(c2)ON)cc(c23)ccnc3Nc(c4)ccc(Cl)c4Cl -MOL_01_041267,FC(F)(F)c1cc(ncc1)Nc(c2)cc(cc2C)-c(c3CC(F)O)cc(C(N)N)cc3 -MOL_01_041268,c1c(F)cc(C)cc1CC(O)Cc(c2)ncc(c2CN)-c(c3C)cc(F)cc3 -MOL_01_041269,c1ccccc1CCC(=N)c2c(cccc2)NCCCCC3=CCCCN3 -MOL_01_041270,CC(=O)CNC(=O)c(cc1C)c(N)c(c12)cnc(c2)Cc3ccc(CN)cc3 -MOL_01_041271,CC(N)c(c1)cc(C(C)N)cc1C(=C)C2=C(NCC2)c(cccc3)c3CCCCC -MOL_01_041272,CC(O)c1ccc(cn1)CC(N)CCCCN(C=CC2)N(C=23)C=CC(=N3)Cl -MOL_01_041273,FC(F)(F)c1c(F)ccc(c1)S(=O)(=O)CCCc(c2)cn(c23)cnc(c3)N -MOL_01_041274,CN(C)OC(CO)COc(cc1)ccc1C(O)c2c(CC)nc(nc2)Nc3c(F)cc(F)cc3 -MOL_01_041275,N=Cc(c1)cnc(c12)CN(C(=N2)CC(C)C)Cc3ccccc3 -MOL_01_041276,C=C(N)c1nccc(c12)c(ncc2)CCc3c(F)ccc(c3)NC(O)c4ccc(CC)cc4 -MOL_01_041277,CCCCC(C=O)C(=N)C1(NO1)CCCc2ccnc(c23)nc(Cl)cc3 -MOL_01_041278,c1ccccc1-n(c2)c(cc2CN)-c(cc3)cc4ccc(c5c34)nccc5 -MOL_01_041279,CC(=O)CCN(C1)OC(O)=C1c(cc2)nc(F)c2CCCO -MOL_01_041280,OCCCC(CC)c1cnc(N)c(n1)-c2cc(F)ccn2 -MOL_01_041281,c1nc(O)c(C)cc1CCC(=N)CNc(cncc2)c2-c3ccc(F)cn3 -MOL_01_041282,c1cncc(c12)ccnc2NC(N)CCc3ccc(nc3)C4=CNCCC4 -MOL_01_041283,NCC(=O)CC(C=O)C(C)/C(=C\1)C(\[H])=c(cccc2)/c2=N/C=C(\C1=c34)C=c3cccc4 -MOL_01_041284,c1ccnc(c1C#N)CCc(c2)cc(C)n(c23)nc(c3)Cc4ccccc4 -MOL_01_041285,OC(O)NCCNCC1NN=COc(c12)cc(cc2)NCc3c(Cl)c(Cl)ccc3 -MOL_01_041286,CC(N)(N)C(=N)Cc(cccn1)c1C(=O)Cc2c(Cl)ccc(n2)Cl -MOL_01_041287,CCCC(=O)Nc(ncnc1)c1NC(=O)COc(c2C(=O)N)cccc2 -MOL_01_041288,CC(C)(N)NC(=O)Cc(cccc1)c1C(=O)NCc2c(ccc(F)c2)-c3ccccc3 -MOL_01_041289,CCC(=O)c1ncn(c12)ccc(c2)CC(O)CNC(O)Cc3ccncn3 -MOL_01_041290,NCc1nccc(c12)c3c(c(c2C)OC)cc(=N)n(c3)Cc4cnnnc4 -MOL_01_041291,n1ccnn1CCCCc2cccc(c23)n(nc3)-c(cc4)cc(N)c4C -MOL_01_041292,CC(=O)Cc1cc(ccc1)-c2nnc(o2)SCC(C)c3ccc(C(C)O)nc3 -MOL_01_041293,Nc1cnc(s1)-c2c(F)c(F)ccc2F -MOL_01_041294,n1ccccc1CNC(=N)c2nc(ccn2)-c(cc3)ccc3Cc(cc4)cc(c45)scc5 -MOL_01_041295,OCCCC1=CN(C(O1)N)c(cc2)cc(F)c2C3=CCCCC3 -MOL_01_041296,CCc(cn1)c(C(N)O)cc1C(C)(O)CNC(=O)CCCCc2ccnnc2 -MOL_01_041297,n1ccccc1Cc2cc(-c3cccnc3)nc(c2)C4CCOCC4 -MOL_01_041298,N#CC1=CC=C(CC1)c2c(nccc2)Cc3ccc(cc3)Nc4cccnc4 -MOL_01_041299,c1cc(F)ccc1C(=N)NCCNc(nc(N)nn2)c2-c3ccccc3 -MOL_01_041300,C1CN(CC2)NC(C12)CC(C)N(c(nc3)ccc3C)Cc4cccnc4 -MOL_01_041301,c1cc(N)c(Cl)cc1CNC(=O)c2ccc(cc2)-c(c(cc34)cc3)ncnc4C -MOL_01_041302,OC1CNc(c12)ccc3c2/C=C\C=N\C=C/NC3 -MOL_01_041303,NC(F)(F)c1ccnc(n1)CCCN(CC)CCc(c2)ccc(c23)nc(N)c(n3)O -MOL_01_041304,n1ccc(OC)cc1C(=O)CCCCNC2CCN(NN2)c(c3CC)cncn3 -MOL_01_041305,c1cnccc1Cc(nc2C(CC)CN)nc(n2)Nc(c3)ccc(c34)nc(N)cc4C -MOL_01_041306,CC(N)OC(=O)c1ccc(nc1)NC(=O)NC(C)c2cccnc2 -MOL_01_041307,FC(F)(F)c(c1)ccc(c12)ncnc2CCC(O)NC(C3)CC3C4CCCCC4 -MOL_01_041308,[*]=C(O)c1ccc(cc1)CC(=O)CCc(nc2)c(Cl)c(Cl)c2C(=N)C(=C)CC -MOL_01_041309,CCCc1ccc(c(c12)O2)N(C(N3)O)CC3C -MOL_01_041310,n1cnncc1C(=O)NC(C)c2c(Cl)cccc2 -MOL_01_041311,CC(N)CC(=N)c1ccn(c1)Cc2c(cccc2)-c(cn3)cn(c34)cnn4 -MOL_01_041312,c1ccc(F)cc1C(N2)N(c(cc3)ccc3C#N)C=C2c(cc4)ccc4C(=O)O -MOL_01_041313,c1ncccc1C(O)NCC(=C)OCC(=NC2=O)C=C(C2=3)C=C(C3)C4CC4 -MOL_01_041314,Fc1ncnc(F)c1CC2=CCN(NC2)N(CC3)CCC3(N)c4ccccn4 -MOL_01_041315,COCC(COC)Nc(c1)c(CC)nc(c1CC)Oc(cc2C)ncc2 -MOL_01_041316,CNC(=O)c1ccc(cc1)-c2cc(nnc2)Nc(ccn3)cc3CC(C)c4cccnc4 -MOL_01_041317,N=CCC(=O)Nc1ccc(nc1)NCc2cc(Cl)c(c(Cl)c2)OC(F)(F)C(F)F -MOL_01_041318,c1cc(F)c(F)cc1C(C)CC(=O)Cc(c2)ccn(c23)c(nc3)CC(=O)CN -MOL_01_041319,c1nccc(c1C)NCCC(=O)C2(N)CCN(CC2)n(ccc3)c(c34)ccc4 -MOL_01_041320,c1cc(F)ccc1CCC(=O)CC2C(O)=NOc(c23)ccc(c3)C(N)O -MOL_01_041321,c1cnccc1CCc2c(ccc(c2)C3(OO3)CNC)NC4CCCNCCC4 -MOL_01_041322,CCNC(=O)N(C1)CNc(c12)n(cc2)C(O)CCC -MOL_01_041323,n1ccccc1N(C(O)CC(C)(C)N)CCNCNc(c2CC)nccc2 -MOL_01_041324,FC(F)(F)c1cc(Cl)c(cn1)C2=CCN(CNO2)C(N)Nc3ccccc3 -MOL_01_041325,Fc1cccc(F)c1CC(=O)CCC(N)COc2ccc(nc2)Oc3ccccc3 -MOL_01_041326,[*]NCC(O)c1ccc(cc1)-c2c(F)cncc2 -MOL_01_041327,c1ccc(F)cc1C(CC)NCNCc(n2C)ccc2CC(C3=O)NCC3 -MOL_01_041328,c1c(N)ncc(c1C)NC2=NC2Nc3cccn3Nc4ccccn4 -MOL_01_041329,c1ncccc1NCN2C=CN(CC2)c(ncc3)c(c34)occ4 -MOL_01_041330,CC(F)(F)c1cc(N2CC2)c(cc1)CC3=NC=CC3NCO -MOL_01_041331,c1cccc(c12)ncc(c2)CCNc(c3CC)ccc(N4CN4)ncccc3 -MOL_01_041332,CC(C)(C)c1ccc(nc1)-c(cc(c2)NC)cc2C(C)Cc3cncnc3 -MOL_01_041333,Cc(c1)cnc(c1C=O)C(CC2)CN=C2c3cccnc3 -MOL_01_041334,OC(O)C(=C1)N=C(C1=2)CCC(C2)CCc3cc(cnc3)-c4ccc(F)cc4 -MOL_01_041335,NC(=O)c1cc(cnc1)NCc2cc(ncc2)CCNc(cc3)ccc3-c4ccccn4 -MOL_01_041336,c1cccn(c12)cc(C)c2CCC(O)NNCc3cccc(c34)cccc4 -MOL_01_041337,CCCc1cc(C)n(c12)c(N)ccc2O -MOL_01_041338,CCCCNC(NO)c1c(nc(C)cc1)Oc(cc2)cc(c23)nccc3 -MOL_01_041339,Cc1ccc(cc1)NC(=N)NCc2ccc(c23)coc4c3cc(cc4)ON -MOL_01_041340,NCCCC(N)C1=CCN(C=C1)C(=O)c2ccc(cc2)-c3ccncc3 -MOL_01_041341,n1ccccc1C(=N)NCCNc(c2C)cc(cc2)NC(=O)c3cccc(n3)C(F)(F)F -MOL_01_041342,O=CC1CCN(CN1)C(N)c(c2)ccc(c23)OCCN3C -MOL_01_041343,CNC(=O)c1cc(ccc1)Nc(n2)cccc2C(CC3)CC=C3O -MOL_01_041344,C1COCCN1CCCCCC(=O)Nc(c2C(=O)N)nn(n2)Nc(c3)ccc(c34)cccc4 -MOL_01_041345,Cc1cc(ccc1)Nc(nc(n2)C)cc2CN(CC3)CC=C3c4ccccc4 -MOL_01_041346,CC(=O)Cc1c(Cl)cc(cc1Cl)CC/C(C)=N/C(=O)CC2NCc(c23)cccc3 -MOL_01_041347,[*]Cc1c(CN)cc(cc1OC)CCc(c2)ccc(c23)nc(C)cc3C -MOL_01_041348,FC(F)(F)c1cc(ccc1)C(CC)C(N)Cc2c(cccc2)N3CCCN3 -MOL_01_041349,c1ncnc(c1C(=O)N)Cc(c2)cnc(c2c34)[nH]c3cccc4 -MOL_01_041350,c1nc(Cl)c(Cl)cc1CC(=O)C(CCn(c23)nnn3)C2CC4CCCC4 -MOL_01_041351,c1cccc(c12)NC(C2=N)CNN3NCNc(c34)cccc4 -MOL_01_041352,c1c(N)cc(C)cc1CCC(=O)CCc2c(cc(Cl)nc2)CC3CCNC3 -MOL_01_041353,CCCN(CCC1)C(=C2)N=C(C123)N=CC=C3N -MOL_01_041354,C1COCCN1CCCNC(O)CN2CCC(C2=O)Cc3ccc(Cl)cc3 -MOL_01_041355,CCc1c(O)ccc(c1)-c(c2)ccc(c23)ccnc3Nc4cc(N)cnc4 -MOL_01_041356,CC(N)c1ccc(nc1)C(C=C(C)C2=N)=C2CCC3CCCNC3 -MOL_01_041357,CCC(ON)CCCc(nc1)ccc1Cc(nc2N)nc(C)c2CCc3cccnc3 -MOL_01_041358,n1ccccc1CC(Cc2ccncn2)C(C)c3nncn3C4=CCCCC4 -MOL_01_041359,c1cccc(c1CN)C(C2=C)=CC(c3ccccc3)=C(C=C2O)c4ccccc4 -MOL_01_041360,CC(C)CC(C1=O)=CC(O)=C1CC(=O)Cc2ccc(cc2)-c3cccnn3 -MOL_01_041361,c1ccccc1-n2nncc2CCCOc3nnnn3-c4cccnc4 -MOL_01_041362,n1cccc(C)c1Cc2ncnc(c23)cnc(c3)C4CCCC4 -MOL_01_041363,CC(C)C(=N)n(c1)ncc1Cc2ccc(cc2)-c(ccn3)cc3C(=O)OC -MOL_01_041364,c1ccc(S(=O)(=O)C)cc1Cc2cc(ccc2)-c3ccnc(c34)c(N)ccc4 -MOL_01_041365,CC(C)(N)CC(N)NCC(=O)Nc(c1)nc(c12)cn(C(F)(F)F)cc2 -MOL_01_041366,FC(F)(F)CCC(=O)c1ccc(cc1)ONn2c(ccc2C)-c3ccccn3 -MOL_01_041367,CCC(=N)C(CC1)CC=C1C(=O)NC(CC)c2c(C)cc(C)nc2 -MOL_01_041368,CCCCOc(cc1)ccc1C2N(CCCN3N)C3c(c24)cccc4 -MOL_01_041369,NCC(=O)c1cc(ccc1)Nc2cc(ncc2)C(NC3)CC=C3Cc4ccc(F)cc4 -MOL_01_041370,c1ccc(Cl)cc1C(CN)C(C)CNCCCC(C2=O)=Nc(c23)cccc3 -MOL_01_041371,c1ccccc1CC(N)C(=C2)C=C(C2=3)C(=O)N(CNC)C(=O)C3CCC -MOL_01_041372,c1nccc(c12)n(nc2)CCCCCNOc(c3)cnc(c34)ncc(o4)=N -MOL_01_041373,ClNCC(CN)CCCCCCc1c(cncn2)c2cc(c13)ccc(c3)OC -MOL_01_041374,c1ncccc1CC(C)C2=CCN(NN2)CCn(nc3)c(c34)cc(F)cc4 -MOL_01_041375,c1ncccc1CC(=O)Nc(cc2)ccc2C(C)CNC(=O)c3cc(F)ccc3 -MOL_01_041376,c1ncccc1-c(cc2)ccc2C(=O)Nc3ccc(cc3)N(CC4)C=CC4C(C)C -MOL_01_041377,O1C=C1c2ccc(C)c(c23)nc(cc3)C(=N)Cc4cccc(c45)cccc5 -MOL_01_041378,c1cc(Cl)ccc1C(N)CC(C(=N)Nc(c23)cccc2)N=C3c4ccccc4 -MOL_01_041379,CC1CCCN1C(=O)c2ncn(c23)CCOC3 -MOL_01_041380,c1ccccc1CC(=O)CNC(N)c2cc(ncn2)-c3ccccc3 -MOL_01_041381,c1ccnc(NC(=O)C)c1-c(cccc2)cn(C)c(c23)cccc3 -MOL_01_041382,o1ccnc1C(CCCN)C2=CCC(CN2)c3c(F)cncc3 -MOL_01_041383,c1cccc(c12)c(O)ccc2NC(C=C3)Cc(c34)nc(Cl)cc4 -MOL_01_041384,c1cc(F)c(Cl)cc1C(=O)C(CN2)CCC2(F)CCCc3nc(ccn3)OC -MOL_01_041385,[*]c1c(N)cnc(c1)\C(=C\N=C\C2=C)\C=C\C=C2\Cc3ccncn3 -MOL_01_041386,CCc1ccc(nc1)N/C(O)=C\c2c(ccc(c2)NC=O)C3=CCC=CC3 -MOL_01_041387,n1cccnc1NNC(=N)n2cccc2C(O)Nc(c3)cnc(Cl)c3Cl -MOL_01_041388,Fc1ncnc(F)c1CC(N)N(c2cc(C3)ccc2)C(N)Nc(c34)cccc4 -MOL_01_041389,c1ccccc1CCCCC(O)N2NCCC2c3cc(oc3)C4NN4 -MOL_01_041390,NC1(O)C=C(CC1)c2c(Cl)c(ccc2)N3CCCC3 -MOL_01_041391,n1ccccc1NNCc2ccc(cc2)-c3cnc(Cl)cn3 -MOL_01_041392,O=Cc(c1)ccc(c2CC)n1c(c23)ncnc3 -MOL_01_041393,FC1(F)C(C1)CCc2c(F)c(ccn2)N(C3)CCC3Oc4ncccn4 -MOL_01_041394,C=C(N)N(CO)c(nc1)ccc1-c2ccccn2 -MOL_01_041395,C1CCCCC1NC(=O)C2CCN(CC2)Cc3cc(ncc3)NC(O)c4ccnc(n4)Cl -MOL_01_041396,Fc1ccc(nn1)S(=CN)C(CCC)c2cc(ccc2)NCN -MOL_01_041397,N1CC1C(=N)Cc2ccccc(cccc2)-c3c(F)cc(F)nc3Cl -MOL_01_041398,FC(F)(F)c1cc(ccc1)NC(CC2)CCC2c(nc3)ccc3-c4nccs4 -MOL_01_041399,C1CCCC1NN(CN2)CC2CCN(CC)c(n3)nccc3CCN4C=NN(Cl)C=C4Cl -MOL_01_041400,c1cc(Cl)ccc1CC(=O)CCC(=O)C2NCC(CN2)c3noc(c34)cc(F)cc4 -MOL_01_041401,FC(F)(F)c1ccc(nc1)NC(O)Cc2cc(cnc2)OCC(C)C -MOL_01_041402,c1cc(C)ccc1C(N)Cc(cccc2)c2C(=O)C3CCN(NC3)Cc4ccccn4 -MOL_01_041403,O=CC1CCN(CC1)C(N2O)C23C=C4C(=CC=N4)C=C3 -MOL_01_041404,c1ccc(N)cc1C(=N)CC23CC(CC2)(NCC3)NC(=O)c4cc(C)ccc4 -MOL_01_041405,C1COc(c12)cc(cc2)ONC(=N)C(CC3=O)C=C3/C4=C/NCCCCC4 -MOL_01_041406,n1ncccc1-c2c(scn2)C3=CCCCC3 -MOL_01_041407,[*]1COc(c12)nc(cc2)NC(=N)CCC(=N)C(N)Cc3cccnc3 -MOL_01_041408,c1ccnc(c12)ccc(c2[*])C(=O)NCC3=CC(CCC3)CCCC(C=O)CC -MOL_01_041409,Clc1c(O)cc(c2c13)C(O)(CNC=C)Oc4ccc2ccc3ccc4 -MOL_01_041410,Fc1ccc(nc1)S(=O)(N)CNCCCC2CCC(CC2)c3c(Cl)c(Cl)ncc3 -MOL_01_041411,c1ccnc(c1C)NCC(=O)Nc(cc2)ccc2-c(c3)cc(c34)cn(cc4)OC -MOL_01_041412,FC(F)(F)[*]c1ccc(cn1)Cc2cccc(Cl)ccnc(c23)ccc(c3)ON -MOL_01_041413,C=C(N)c1c(N)ncc(c1)-c(c2)ccc(N)c2C -MOL_01_041414,CCc1c(OC)ccc(ncncn1)N(CC2)CCN2CNS(=O)(=O)N -MOL_01_041415,FC(F)Cc1ccnc(c12)N(CO)C(C)N2 -MOL_01_041416,NCCCc1ccc(cc1)Cn(cc(c23)ccnc3)c2Nc4ccccc4 -MOL_01_041417,n1c(F)nccc1NN(CC#N)CC(C(C)(C)C)CC(=O)Nc(c2)ccc(CN)c2CC -MOL_01_041418,c1cccc(c12)cc(CC)nc2NC(=O)CNC(C)Cc3ccccc3 -MOL_01_041419,n1ccnc(C(C)N)c1C(=O)Cc2ccc(nc2)Oc3c(Cl)cccc3Cl -MOL_01_041420,c1nccc(c12)nc(N)c(c2)C(=N)Cc3ccc(cc3)Cc4nc(C)ccn4 -MOL_01_041421,c1ccccc1CNc(c2C(N)N)nc(cc2)Nc(cc3)ccc3C4=CCC(C)OO4 -MOL_01_041422,c1nc(Cl)ccc1CNCCCN(CN2)CCC2(O)c3ccc(Cl)cc3 -MOL_01_041423,c1nc(F)nc(C)c1CNc(cc2C(=N)O)cc(n2)-c3ccccc3 -MOL_01_041424,c1ncccc1CCC(=N)N(NC2)C=CC2c3nccc(c34)ccc(Cl)c4 -MOL_01_041425,c1ccccc1CNNc(c2-c3ccccc3)nc(cc2)-c4ccccn4 -MOL_01_041426,CC(=O)N(C1)CCC1CN(CC2=NC=C(C2=3)C(C3)O)Cc4ccc(Cl)cc4 -MOL_01_041427,c1nc(O)ccc1C2C=CN(CC2)C(C3=C)=NCC3Cc4ccccc4 -MOL_01_041428,c1ncccccccc1Cc2cc(-c3cncnc3)nc(n2)C4CCOCC4 -MOL_01_041429,Cc(n1)oc(c12)ccc(c2)NC(N(C#N)S(=O)(=O)C)CCCCCCNCCO -MOL_01_041430,CCC(CC)ONCC(O)C(NC=C1O)NN1Cc(c2CC)nccn2 -MOL_01_041431,Cc(c1)nc(O)c(N=O)c1CCNCOc(nccc2)c2ONc3ccccn3 -MOL_01_041432,CC(=O)NC1=CNC(N=N1)CCC2CCN(CC2)c(c3Cl)ncnc3Cl -MOL_01_041433,n1ccc(F)nc1CC(=O)CC(C)C(=O)C2=CN(C(C2)=N)Cc3ccc(C)nc3 -MOL_01_041434,Cc(c1)ccn(c12)cc(N)c2SC3N=NCC=C3C -MOL_01_041435,c1ccccc1C(=O)CCC(N)COC(=O)Cc(ccc2O)c(c23)cncc3 -MOL_01_041436,Cc(c1)ccc(C)c1CCC(=N)N2CNCC2C(=O)N(C)Cc3ccccc3 -MOL_01_041437,c1cc(Cl)ccc1CC(N)c2c(cnnc2)Nn(cc3)c(c34)cccn4 -MOL_01_041438,O=CC1C=CN(CC1)c(ncc2)n(c23)cnc3C -MOL_01_041439,CC(F)(F)c1ccc(cn1)CC(C(=O)OC(C)(C)N)Cc2cnc(C)c(c23)cccc3 -MOL_01_041440,CC(C)C1(O)CCC(CC1)C(C2CC2)C(=O)c3ccc(nc3)C(C)(O)C(F)(F)C -MOL_01_041441,c1ncccc1CC(C=O)C(=O)S\C=C\c2c(Cl)nc(s2)C3CCCNC3 -MOL_01_041442,C1CN(F)CCC1C(c(nc2)ccc2C(F)(F)F)CNC(O)c3c(Cl)cccc3Cl -MOL_01_041443,N#CNC(=O)C1CCCC(CCC1)Cc2c(Cl)ncc(c2)Cc3cnc(N)n3C -MOL_01_041444,FC(F)(F)c1ccc(cn1)S(=O)CCCC(O)c(c2)cnc(c23)cncc3 -MOL_01_041445,c1occc1CC(C)C(N)Cc2c(cn[nH]c2=O)Cc3c(F)cc(cc3)OC -MOL_01_041446,Cc1ccc(cn1)C(C=CC2=O)C2c3ccc(F)cn3 -MOL_01_041447,c1ccnc(c1NC(=O)O)NCCC(CN)Oc(nccc2)c2CCCc3ccccc3 -MOL_01_041448,C1N=C(C)N(C(C)C)c(c12)ccc(c2)CN3NCN(CN3)c4c(O)cccc4 -MOL_01_041449,O=CN(C1)CC1c2c(nccc2)N(C=N3)CCC3C -MOL_01_041450,O1N=C1c2cc(ccc2)NC(N)CC(CC3)CC=C3c4ccccn4 -MOL_01_041451,c1ccccc1CNC(=C)c(c2C)cc(NCCF)c(c23)cc(c(F)c3)C4=CCOCN4 -MOL_01_041452,CC(F)(F)c1ccc(cc1)C2=CN(C(CCl)O)C(=NN2)c(cc3)ccc3C(F)(F)F -MOL_01_041453,NC(=O)CC1=CNC(CC1)c(cc(n2)Cl)cc2-c3ccccc3 -MOL_01_041454,CC(C)(N)CC(O)CC(=C)c1c(cnc(n1)C(C)O)Oc(cc2)ccc2OCNC -MOL_01_041455,CNC(=O)C(OC)c1c(nccc1)CCNC(C)c2c(Cl)cccc2 -MOL_01_041456,c1cc(Cl)cc(c12)cc(n(N)c2=N)CNCc3ccc(cc3)-c4ccc(F)nc4 -MOL_01_041457,Cn1cccc1C(=N)C2CC(NNC2)C(CC3)CCC3c4cc(Cl)ccc4 -MOL_01_041458,Nc(n1)cccc1Cc2c(ccc(C(F)(F)F)c2)-c(c3)ccc(c3C)-c4cnc(N)nc4 -MOL_01_041459,n1ccccc1CC(NNCCC)c2ccn(c23)c(CC)ccc3 -MOL_01_041460,OCCCc1ccc(cn1)-c(c2)oc(c23)nccc3 -MOL_01_041461,FC(F)(F)c1cc(ccn1)CC(=C)N(NN2)CCC2C(=N)c3cccs3 -MOL_01_041462,N#Cc1c(Cl)cc(cc1)NCN(CN2)CCC2CNc(nc3)ccc3C(F)OC -MOL_01_041463,C1C[*]C[*]N1C(=[*])COc(ccnc2)c2C(=O)Cc3c(Cl)c(Cl)ccc3 -MOL_01_041464,c1ncncc1C(=O)Cc(cc(c23)cccc3)c(c2O)-c4c(N)cccc4 -MOL_01_041465,c1nncc(c1C(C)O)-c2c(ccc(C)c3O)c3cc(c24)c(N)c(C)cc4 -MOL_01_041466,c1ccc(Cl)cc1C(CN2NCON2)C(=O)C(C)Cc3c(Cl)nccc3 -MOL_01_041467,C1NCC(C2=O)CN(C=C12)C(=O)OCC(=N)CCC(=N)c3c(F)cccc3 -MOL_01_041468,NC(=O)Nn(cn1)c(O)c(cc2)c1c(c23)ccc3-c(cc4)ccc4C -MOL_01_041469,Cn(c1)ncc1C(=N)Cc(cc2C(F)(F)F)c(cc2)N3CCCCC3 -MOL_01_041470,FC(F)(F)C1(C)N(O1)n(c2)cc(c23)nc(cc3)OCC -MOL_01_041471,c1cccc(c1C(C(F)(F)F)O)-c(ccc(Cl)c2)c2-c3ccn(c3)CCN -MOL_01_041472,FC(F)(F)c1ccc(cc1)-c2cccc(c23)C=C(CO3)C(CCN)NNC -MOL_01_041473,c1ccc(C)cc1C(=O)NC2=CCC(CC2)c(ncc3)cc3Nc(cc4)ccc4CN -MOL_01_041474,c1cccc(F)c1C2(N)CCC(CN2)N(c3ccccc3)c4ccccc4 -MOL_01_041475,FC(F)(F)c1c(Cl)ccc(c1)CC(=N)CN(C)C(=O)CCc2c(OC)cccc2 -MOL_01_041476,c1cc(C(F)(F)F)cc(c12)c3c(cnc(C(F)(F)F)c3)cc2C(N)CCC4=NCCC=N4 -MOL_01_041477,C1CC(O)CCC1CNCN(CC)C2=CN(N=CN2C)n3c(C)ncc3C -MOL_01_041478,c1ccccc1C(=O)CCC(N)COC(=O)Nc(ncc2O)c(c23)cccc3 -MOL_01_041479,c1cc(F)c(C)cc1C(=O)C(CN2)CCC2(F)CNCc(ccc3)cc3CC -MOL_01_041480,N1CCCCC1NC(=O)Nc(c2)ccc(F)c2C(C=C3N)CCCO3 -MOL_01_041481,c1nc(ON)ccc1-c(nccc2)c2Cc3ccc(cc3)Nc4ccccc4 -MOL_01_041482,Cc1ccc(cc1)C(C2=[*])CC(C2)c(o3)cnc3Cc4c(Cl)cc(N)cc4 -MOL_01_041483,C1NCC(N)C(C=12)=CC(=C2)c3cccc(c34)ccc(c4)Oc5ccc(Cl)cc5 -MOL_01_041484,[*]=1CC=c(c12)cc3c(c2)c(nc(C)c3)CCNc(cc4)ccc4C(CN)CN -MOL_01_041485,COc(cc1)ccc1N(NC)CCC2=CN=C(CC2)c3ccc(cn3)OC -MOL_01_041486,Fc1nc(Cl)cc(c12)cc(cc2O)C(=O)CCCC3CNOCN3 -MOL_01_041487,OCC(C)Cc1cc(NC2=C=C2)nc(n1)SNc(c3F)cccc3F -MOL_01_041488,NCCc1nc(Cl)c(cn1)N(C=C2C)CCC2C3CCN(CC3)Nc4ccc(Cl)nc4 -MOL_01_041489,n1cnccc1CCCC(=O)c2ccc(nc2)Cc(c3)nccccn(c34)nccc4 -MOL_01_041490,FC(F)(F)c1ccc(nc1)OCCN(C2)CCN2C(N)c3c(cccc3)-n4nccn4 -MOL_01_041491,FC(F)(F)Cc1cc(ccc1)NC(=O)CCCc(cc2)cc(c23)cnc(c3)C(=O)NC -MOL_01_041492,FC(F)(F)COc1ccc(nc1)Nc(c2C)ccc(c2)C3=CNCCO3 -MOL_01_041493,CC(O)NNNNc(c1)ccc(c1C)OC23C(=CC=C2)C=C(C(C)=C3)OC -MOL_01_041494,N=C(O)c1ccc(s1)-c(nc2)ccc2C(C)C -MOL_01_041495,CC(O)c1cnc(o1)\N=C\c(cc(c23)nccc3)cc2Nc4ccccc4 -MOL_01_041496,NS(=O)Cc(c1)cnc(c1CN)Nc2c(ccnc3)c3cc(c24)cccc4 -MOL_01_041497,Clc1cccc(NC(=O)C=N)c1Nc(nc2)ncc2NCc3c(Cl)c(NC)ncc3 -MOL_01_041498,o1cccc1C(N)CC(C)C(=O)Nc(n2)scc2-c3ccncn3 -MOL_01_041499,CC(C)N(C=N)CC(O)c(c1C)cnc(c12)CC(C)C2 -MOL_01_041500,c1nc(Cl)ncc1CCc(nc2NNC)cc(c23)cc4c(n3)cccc4 -MOL_01_041501,c1cc(C)ccc1C(O)C2=CCC(CC2)CCN(C(=C)C3)C(=O)N(C=34)C=CC=C4 -MOL_01_041502,n1ccc(Cl)c(C)c1CC(O)CCC(=O)Cc2nnc(O)c(c23)cccc3 -MOL_01_041503,n1ncncc1NCCCC(=O)C(Cc2cccnc2)Cc(n3)nc(C)cc3Cc4cccnc4 -MOL_01_041504,c1cc(F)cc(c12)NCN2C(=O)Nc3ccc(nc3)Oc(c4C)cccn4 -MOL_01_041505,c1ccccc1C2[*]CC(CC2)C(=N)CC(=C)c3ccc(cn3)Nc4cccnc4 -MOL_01_041506,c1cc(C)cc2c1oc3ncc(c4c23)c5n(c4)c6c(nc5)cccc6 -MOL_01_041507,FC(F)(F)c1ccc(cc1)NN(N)CCc2nnc(s2)C(=C3)C=CN(C3=4)C=CN(C)C4 -MOL_01_041508,n1ccccc1C(=C)C(C)C(c2ccc(nn2)CC)NCc3ccc(O)cc3 -MOL_01_041509,NC(=O)C1[*]C(CC1)C(CC2)CC=C2Cc(c3C(F)(F)F)ccnc3 -MOL_01_041510,c1cnc(C)cc1C(C(CC)CCN)c(n2)cn(c23)cc(C)nc3 -MOL_01_041511,N=Cc1c(Cl)nc(c(Cl)c1)C(O)Cc(n2)cnc(c23)CCCC3 -MOL_01_041512,C1COCc(c12)nc(cc2)NC(=O)NC(C)CC/C=N/COc3ccccc3 -MOL_01_041513,Cc1cc(nc(Cl)c1)NCNCNc2ccnc(c23)cc(N)cc3 -MOL_01_041514,c1ccc(Cl)cc1C(=O)Nc(ccc2)cc2-c(cn3)ccc3CN4CNCN4 -MOL_01_041515,c1c(F)c(F)cc(Cl)c1C(=O)Cc(n2)nc(C(N)N3CCCCC3)nc2C(C)C4CCOCC4 -MOL_01_041516,c1ccnc(C)c1CCC(=O)C(CC2)NNc(c23)nccc3CCCC -MOL_01_041517,c1cc(Cl)ccc1C2(CCCC2)C(N)ONCCN(CC3)CCC3c4ccncc4 -MOL_01_041518,c1ccnc(Cl)c1NC(=C)c2ccc(cc2)S(=C)(O)N3CCCCNC3 -MOL_01_041519,CC(=O)Nc(ccc1)cc1-c(cc2)cc(c23)oc(cc3=O)C4CCOCC4 -MOL_01_041520,s1cccc1-c(ccn2)cc2C(=N)Cc3ccn(c3)Cc4cnc(Cl)cn4 -MOL_01_041521,[*]C1[*]C[*][*]C1C(=O)CCNCN(C)c(cc2)nc(c23)OCO3 -MOL_01_041522,c1ccc(OC)cc1CCC(O)NC2CN(CN2)c(ccc3)cc3Cc4ccc(F)nc4 -MOL_01_041523,s1nccc1C(N)Nc(cc2)ccc2-c3ccn(n3)-c(ccc4)cc4CN -MOL_01_041524,c1cncc(OCN)c1-c2cc(ccc2)-n(nn3)cc3-c4ccccc4 -MOL_01_041525,CCN1N=CC=CN1c(cc2)ccc2-c3ccnccccc(C)c3CN -MOL_01_041526,N1CCNCN1C(O)c(c2C)cc(c(c23)c(F)ccc3F)Cc4ccc(CN)cc4 -MOL_01_041527,c1ccccc1-c(c(C)c2CCNN)ccncc(nc2)Cc3cc(Cl)ccc3 -MOL_01_041528,NCCN(C1=O)C(=O)NC(c(c12)cccc2)c3ccccc3 -MOL_01_041529,c1cccc(c1CC)NCCC(CC)CNNc(cc2)nc(c23)ccc(c3)ON -MOL_01_041530,C1=CC=C[*]N1c(nc2)ccc2C(CCC(C)N)c3ccc(Cl)cc3 -MOL_01_041531,FC(F)(F)C(=C)C1=CC(O1)C(=O)CCNc2nncc(c23)ccc(c3)CC -MOL_01_041532,N1COCCC1CC#CC(O)Cc(c2)ccc(c23)nccc3Cc4cc(Cl)c(F)cc4 -MOL_01_041533,CC(=O)c1cc(ccc1)NC(=N)Cc2cnn(c2)Cc3c(Cl)nc(Cl)cc3 -MOL_01_041534,CC(N)C(=N)Cc1nc(-c(cc2)ccc2CC)cc(n1)-c3ccc(cc3)OC -MOL_01_041535,c1ccccc1C(=O)NCC2CC(CCCOC2)Nc(n3)cccc3C -MOL_01_041536,c1ccnc(CC)c1CC(=N)Cc2cnn(c2)COc(cn3)ncc3N(N)CC -MOL_01_041537,n1ccccc1CCc2cc(-c3cc(N)cnc3)cc(n2)C4CCNCN4 -MOL_01_041538,c1cccc(c12)n3c(c2)c(C#N)ccncc(cn3)C4CCNCC4 -MOL_01_041539,c1ccccc1NCC(=O)c2c(cccc2)OCc3cc(N)c(nc3)ON -MOL_01_041540,FC(F)(F)c1c(Cl)ccc(c1)CC(=O)Cc2nnc(s2)-c3ccncn3 -MOL_01_041541,n1ccccc1C(=N)Nc(c2)c(OCC)cc(NC=N)c2CCC -MOL_01_041542,c1cc(F)ccc1C(=O)CC2CCC(CN2)c(n3)nccc3Cc4c(C)cccc4 -MOL_01_041543,NCCN1C=CN(CC1)c(cc(c23)cccc3)cc2Nc(cc4N)ncc4 -MOL_01_041544,c1c(F)c(F)cc(O)c1CC(C)NC(=O)N(C2)CCC(C2=O)Cc3ccccc3 -MOL_01_041545,NC(=O)c1cc(ccn1)C(C)Cc2cc(C)cc(c2)-c3c(Cl)c(ON)ccc3 -MOL_01_041546,n1ccnn1C(C2=C)CNc(c23)ccc(Cl)c3 -MOL_01_041547,c1cnc(CC)cc1COc(cc2)ccc2NC3=CC=CN(N34)C=C(OC)C(=C4)OC -MOL_01_041548,C1=CNCCC=C1CC(=O)CN(C2=O)N(CCN2)Cc3c(F)nccc3 -MOL_01_041549,CCCC(N)(O)c1c(cccc1)N(CC2)CCN2C=O -MOL_01_041550,CC1=CCC(N(C1)CN)Nc(c(F)nc2)cc2-c3ncccn3 -MOL_01_041551,Cc1ccc(cc1)-n(c2)cccnc(NC3CNCN3)cc2-c4ccccc4 -MOL_01_041552,n1ccccc1NCC(O)CCC(O)NC(CC2)=Nc(c23)ncnc3 -MOL_01_041553,n1ccccc1CN(CCCO)c(n2)ccc(OC)c2CC -MOL_01_041554,NCc1ccc(nc1)C(=C2)C(C=O)C=C2c(nc3)ccc3C -MOL_01_041555,NC(=O)c1cc(C(C2)C2C)nc(n1)-c(cc3)ccc3Cc4ccc(F)cc4 -MOL_01_041556,CC(=O)NC1=CNC(CC1)Cc2ccc(cc2)NCCCc3ccc(nc3)Oc4ccccc4 -MOL_01_041557,c1cccc(O)c1NC([*][*])CCN([*])c2nnnc(c23)cccc3 -MOL_01_041558,n1ccccc1CCC(=N)C2C=CN(OC2)Cc3cnc(C)c(c34)cccc4 -MOL_01_041559,COC(=O)CCC1N=C1c(cccc2)c2CCc(c3)cnc(c34)ccnc4 -MOL_01_041560,COC(=O)CCNc(n1)nc(-c(cc2C(F)(F)F)ccc2)nc1CC(C)C3CC3 -MOL_01_041561,ClC1=CC=CN(O1)NC(C)c2cc(nnc2)C(N)Nc3cc(Cl)ncc3 -MOL_01_041562,c1nccc(c12)nc(cc2)N3C=CNCC3 -MOL_01_041563,n1nnccc1CC(C(C)N)Cc2ccc(cc2)-c(c3CC)c(OC)ccc3 -MOL_01_041564,CN(C)C(=C)Cc(n1)scc1C(CO)CCC(CC2)CC3=C2c(c34)cccc4 -MOL_01_041565,c1c(F)cnc(c1C(C)C)C(C=O)CC2=CNC(CC2)NC=C -MOL_01_041566,c1nc(F)ccc1Cc2cnc(c23)n(CNC)ccc3 -MOL_01_041567,c1ccc(N)c(C)c1CN(C(=O)N(C)C)CCc2ccnc(n2)O -MOL_01_041568,c1ccnc(F)c1CC(=O)c2ccc(nc2)CC(N)C(C3)Cc(c34)cncc4 -MOL_01_041569,OC(F)(F)c1ccc(cc1)Oc(c2)ccc(c23)nc(cc3)C(O)CCC4CNC4 -MOL_01_041570,Cc(c1)cnc(CC=O)c1C(CCC)Nc(cc2)ccc2C -MOL_01_041571,NCCCCC(=C12)OCC(=C2)N=C1Cc(cc3)ccc3CC -MOL_01_041572,CCC(C)(CN)COC(CC)N(C=CN1Cl)C=C1Cc2ccc(cn2)OCC -MOL_01_041573,NOc(n1)ccc(c1CC)/C(=C/N/N=C/2\C)/C=C/C=C/C/C=N/N(/C=C\2)NC -MOL_01_041574,CC(=O)Nc1c(N)nc(cc1)N(C)C(=O)NCc(nc2)ccc2C(C)C -MOL_01_041575,c1ncccc1NNC(=N)C(C2)C[*]C2c3ccc(nn3)-c4ccccc4 -MOL_01_041576,C1CNCCN1CCNCC(=N)C(C2)CC(C=23)=Nc4c(C=C3)ccc(C)c4 -MOL_01_041577,CCC(=O)C1=NC(=CC(N)N1C)c2cc(ccc2)NCC -MOL_01_041578,CC(F)(F)c1cc(ccc1)NCC(=O)c2ccc(nc2)Cc3ccccc3 -MOL_01_041579,c1cc(F)ccc1CCC(C)Nc(c2)ccn(c23)c(nc3)CC4CCNC4 -MOL_01_041580,c1ncc(NC=O)cc1CCC(N)c2ccccc2 -MOL_01_041581,COCCC/C=C/c1cc(cnc1)Nc(ccc2)cc2C(=C3)N=C3CCc4cnc(Cl)nn4 -MOL_01_041582,FC(F)(F)c1cc(ccc1)CC2=CC(CCC2=O)C(=O)CNCc3cccn3CC -MOL_01_041583,O=CNc(c1)ccc2c1nncc3cc(c4c23)ccc(C)c4 -MOL_01_041584,Cc1cc(ccc1)-c(ccc2)cc2CC(=N)C3CN(CNC3)C(O)c4cccnc4 -MOL_01_041585,N#Cc1ccc(cc1)C2=CCN(C=N2)C(O)c3cc(ncc3)CC(=O)C4CCCC4 -MOL_01_041586,CC(C)NC(=O)c1cc(F)c(cc1)OC(CC2)CCC2NC3CCCCN3 -MOL_01_041587,c1ccnc(N)c1Cc2cc(ccn2)-c3cc(ccc3)Nc(c4C)cccc4 -MOL_01_041588,C[*]c1c(O[*])cc(cc1ON)-c2cc(nc(n2)N)-c3ccc(Cl)cc3 -MOL_01_041589,NC(=O)c1ccc(cc1)/C(=C\2)C(=O)ONNCc(c23)nccc3 -MOL_01_041590,n1cc(O)ccc1C(O)(NC=N)c2cccc(c23)cccc3 -MOL_01_041591,n1cncnc1NC(=C)c(c2)ccc(c23)NC(=N)NC3c4ccc(Cl)cc4 -MOL_01_041592,O=CNC(NC1)CCC1NCc2ccc(cc2)-c(c3C)cccc3 -MOL_01_041593,c1cc(F)c(Cl)cc1C(=O)NCCC(F)(CC)NCCc2c(N)ccc(n2)CN -MOL_01_041594,c1cnc(NC(=O)N)cc1-c2cccc(c23)CC(C3)CO -MOL_01_041595,CC(C)c1ccc(cc1)C2(c3ccccc3)C(=N)N(C(C2)N)CNCc4ccccc4 -MOL_01_041596,c1ccccc1CNc(c2)nc(C)cc2C3=CCC(C=C3)S(=O)O -MOL_01_041597,C1OOCCC1CCCNc(n2)ncc(c23)ccnc3Cc4cc(N)ccc4 -MOL_01_041598,NC1[*]CC(CC1)CCC(=O)c2cc(C)c(n2C)C3CC3 -MOL_01_041599,CCc1c(CN)ccc(c1)C(N)Cc2cc(ccc2)Nc3ccnc(c34)cccc4 -MOL_01_041600,CCC(=O)c1cnc(CCN)c(c12)cccc2 -MOL_01_041601,CCCc1c(F)cc(cc1)NC(=O)c2cc(ccc2)-c3cc(N)ccc3 -MOL_01_041602,c1cccc(F)c1COc2nc(Cl)cc(Cl)c2OCN(C3)CC(O)CC3O -MOL_01_041603,c1ccnc(C)c1C(C(=O)C(C)N)Cc2cc(O)ncccccc2 -MOL_01_041604,c1cncc(c12)cc(cc2O)CNC(=O)OCC(O)Cc3ccc(cc3)OC(F)(F)F -MOL_01_041605,C1CCCN1N(C=N)Cc2cccc(C)c(C)ccn(c23)ncn3 -MOL_01_041606,C1COCCN1CCCC(=O)CC2=C=S2(=N)c(cn3)ccc3C -MOL_01_041607,CCc(cc1)ccc1C(=N)CCC2c(cncn3)c3Cc(c24)cccc4 -MOL_01_041608,CC1CC(C1)NC(=N)c(c2)ccc(c23)nc(cc3)Oc4ccc(N(F)F)nc4 -MOL_01_041609,FC(F)(F)Cc1ccc(nc1)-c2cc(ccc2)Nc3ccncn3 -MOL_01_041610,CC(=O)NC(N)c1ccc(cn1)OC2=CC(CC2)c3ccc(cc3)OCCC(F)(F)F -MOL_01_041611,CNCCCc(ccc1)cc1C(=O)NCN(O)NC(NN2)=Cc(c23)nccc3 -MOL_01_041612,CC(C)C(=O)c1c(F)cc(cc1)NCc2nc(no2)-c(cc3)ccc3C(F)(F)F -MOL_01_041613,Cc(c1)ccc(c12)n(CCC)cnc(nnc2)CNNC3CCNCC3 -MOL_01_041614,c1cccc(c12)nc(O)c(c2O)Nc3ccc(Cl)cc3 -MOL_01_041615,c1cc(ON)ccc1CC2=CC=C(C\2=3)/C=C/C(=O)/C(=C\N=C\C3)NCC4CCCCC4 -MOL_01_041616,C=C(N)c1cccc(c12)c(cnc2)NNc(n3)cccc3NC(O)CCC -MOL_01_041617,NCCC(N1)=Nc(c=1c2=3)ccc2C=CC3 -MOL_01_041618,n1ncccc1NC(=O)Cc2c(cccc2)C(=C3C=C)CC(CN)C=C3 -MOL_01_041619,C#CN(O1)N=CC=C1Cc2cccc(c23)nc(CN)cc3 -MOL_01_041620,c1cccc2c1cc(CC=N)c(c23)nn(c3)-c4ccccc4 -MOL_01_041621,c1ccccc1C(c2cncnc2)C3=CCC(CN3)Cc4ccccn4 -MOL_01_041622,FC(F)(F)c1ccc(nc1)Cc(cc2)nc(c23)ccc(c3)C(O)CCC4CNCN4 -MOL_01_041623,Clc1c(Cl)cnc(c1)Nc(n2)nc(C3CCOCN3)cc2C4CCOCN4 -MOL_01_041624,c1ccccc1CC(C(=O)CC)NC(=O)N2CCN(CN2)c3ccc(F)cc3 -MOL_01_041625,N#Cc1ccc(nc1)OC2=CNC(C2)C(=O)N(CNC3)CCC3CCCC -MOL_01_041626,[*]C(=C)C(C)Cc(cc1F)cc(O)c1Cc(n2)ncc(C)c2C(=C)C -MOL_01_041627,n1ccncc1CCCCCN2c(cccn3)c3Nc(c24)cccc4 -MOL_01_041628,CCCNC(=O)c1cccn1C(=O)OC(c2ccccc2)c3ccccc3 -MOL_01_041629,c1ccccc1CN(C)C(N)c(c2)ccc(F)c2C(O)Nc(c3CC)nc(Cl)nc3 -MOL_01_041630,CC(=O)C1C=CNc(c12)cc(nn2)S3OO3 -MOL_01_041631,c1ccnc(c12)cccc2NC(=N)c3ccc(cn3)OCc4ccccc4 -MOL_01_041632,NCCc1cc(nc(n1)C)NC(N)Cc2cnc(nn2)Cc3ccccc3 -MOL_01_041633,N1CCCC1C(=O)Cc(c2)cn(c23)CCNC3 -MOL_01_041634,C1CCC([*])C1(C(=N)O)CC(=O)Cc2c(c(Cl)cc(Cl)c2)-c3ccccc3 -MOL_01_041635,n1cccnc1Cc(cccc2)c2CC(N)CNc3cnnn3-c4ccc(Cl)cc4 -MOL_01_041636,n1cc(Cl)ccc1CC(O)c2c(cccc2)CN3C=C3c4ccc(cc4)-c5c(N)cccc5 -MOL_01_041637,NCCC(=O)C1N=CN(ON1)C(=S)CCc2ccn(c2)Cc3ccc(F)nc3 -MOL_01_041638,n1cccn1-c(cn2)ccc2CCCC/C3=C/N=C=C=C\C=C3\CN -MOL_01_041639,C1COCCC1C(=N)c2c(F)cc(cc2)NC(O)Cc3ccc(Cl)cn3 -MOL_01_041640,c1cccc(c12)cncc2CC(=O)NCC(C)CCc3ccc(F)nc3 -MOL_01_041641,c1cc(F)ccc1C(c2ccc(F)cc2)NCCN3CCN(NC3)CC(C4O)CCc(c45)cccc5 -MOL_01_041642,c12c(O)ccc(n1)c(O)ccc3n(cn2)cccn3 -MOL_01_041643,CCCCc1ccc(nc1)-n(n2)ccc2CCN(C3)CC(N)=CC3(C)C -MOL_01_041644,[*]=C(C)CN1C(=S)OC(C1=O)Cc(c(c2)CC)cc(c23)cncc3 -MOL_01_041645,CC(C)c1cc(cc(Cl)c1)C(O)NCC(=O)N(CC2)C=CC2Nc3ccccc3 -MOL_01_041646,COCc1cc(OC)c(cc1)NC(=O)Cc2ccc(cc2)Cc3ccccc3 -MOL_01_041647,n1ccn(c12)cc(nc2)C(=O)C(C)CNC(C)c3cnc(Cl)cn3 -MOL_01_041648,c1cnnc(c1F)N(CN)CC(=O)Cc2c(OCC)cccc2 -MOL_01_041649,c1ccccc1C(=N)CC2=C(C=CCC2)NCn(cn3)c(c34)cccc4 -MOL_01_041650,COC(=O)Nc(cc1C(F)(F)F)c(cc1)N(CN2)CC=C2c3ccccc3 -MOL_01_041651,c1nnccc1CC(=C2)CNNc(c23)ccncnc(CC)c(c3)NO -MOL_01_041652,FCCCc1c(CC)ccc(c1)CN(CC)CCCNc(n2)cn(c23)ccnc3 -MOL_01_041653,c1cc(F)ccc1NCC(O)c2c(cccc2)ONC(O)CN(C=C3)C=CC3c(ccn4)cc4C -MOL_01_041654,c1ccccc1C2=NC(CCC2)C(=O)Cc(nc3)ccc3Cc4ccccn4 -MOL_01_041655,COCCC(=O)CC1=NCC(C1)Cc2cc(ncn2)-c3ccccc3 -MOL_01_041656,c1cccc(C(=O)O)c1C(=O)CNC(C)c2csc(n2)C3CCOCC3 -MOL_01_041657,c1ccccc1CNc(c2-c3ccccc3)nc(nc2)-c4cccnc4 -MOL_01_041658,C1CCC(C=12)=CC(=C2C(C)N)NC(=N)CN(C)CC(O)Nc3c(Cl)cccc3 -MOL_01_041659,c1ccccc1C(O)NCC(C2)Cc(c23)cccc3-c4cccnc4 -MOL_01_041660,O=Cc1ccc(cn1)N(CC2)CCC2CCC3=C(F)C=NN(O3)C -MOL_01_041661,c1ncccc1Cc2nccc(c23)CCC(CC)ONCCC3 -MOL_01_041662,O=CC1C=CC(NC1)Cc2nc(on2)-c3c(OCC)cccc3 -MOL_01_041663,FC(F)(F)Nc(cc1)ccc1CC(=O)c2cc(cnc2)-c3ccc(N)cc3 -MOL_01_041664,n1ccccc1CCC(CC2)CCC23C(=O)C(=NO3)c(cc4)ccc4CN -MOL_01_041665,CCCCOC(O)c1ccc(cc1)Cc2cc(N)nc(c23)ccc(c3)OC -MOL_01_041666,c1cccc(c12)ccc(c2C)C(c3ccc(C(N)N)cc3)CC4=C=C4c5cncnn5 -MOL_01_041667,c1cncc(c12)cc(cc2)CCCCNCNNCCCC3CCCCC3 -MOL_01_041668,CC(=O)NCCC(=O)c1cc(ccc1)-c2cccc(n2)OC -MOL_01_041669,c1ccccc1NC(=O)c2ccc(cc2)Cc3ccnc(c34)cc(C)c(c4)ON -MOL_01_041670,N1=CC1(C)n(c2)ccc2CC(=O)Cc(cn3)ccc3C(C)c4ncncn4 -MOL_01_041671,c1ccccc1Cc2ccc(cc2)CNc(cc3)nc(c34)nccc4N -MOL_01_041672,c1ccc(O)cc1CC(=N)CC(Cc2ccc(F)nn2)C(=O)NC(C)c3ccccc3 -MOL_01_041673,Cc1nccn1CNCN(CC2)O[*]C2c3nccn3CCCCC -MOL_01_041674,Cc1cc(ncn1)C(CN2)[*]C2C(=O)CCCNNCc3ccccc3 -MOL_01_041675,CNNC/C(=N\1)N(C)\C=C\C\C=C(\C)C1(O)NNc2cc(F)ccc2 -MOL_01_041676,CC(C)C(=O)CC(N)Nc(c1)cnc2cnc(c3c12)ncc(c3)NC4CCN4 -MOL_01_041677,CNC(=O)c1cc(ncc1)Cc(cc2)ccc2CC(O)Cc(n3)ccc(Cl)c3C(F)(F)F -MOL_01_041678,c1cccc(c1C=O)C(CC=C)S(=O)(=C)c(cc2)ccc2CC=O -MOL_01_041679,C1OCCCC1C(=O)Nc(cccc2C)cccc(n2)-c(cc3)ccc3CC -MOL_01_041680,CCOC(=O)c1cccc(n1)CC(=O)CC(C2=N)C(=O)C=C2C\C=C\CC -MOL_01_041681,c1cc(F)ccc1C(=O)N2C=CN(N=C2)C(CN3)CC=C3c4ccccc4 -MOL_01_041682,c1ccnc(c12)CCC(=C2)C(N)Nc(cc3)ccc3CCc4cccnc4 -MOL_01_041683,c1ccccc1-c(nccc2)c2/C(=C/C)NCc(cc3)ccc3C(C)N -MOL_01_041684,O=C(O)CC(NC=O)c(c1[*])cc(Cl)cc1Cl -MOL_01_041685,C1COCCC1C(=O)Cc(c2)ccc(c2CC)Cc(nc3)nc(c3C(F)(F)F)NC -MOL_01_041686,c1nnccc1CCC(=O)Cc(cc2)cc3n2cc(c34)cccc4 -MOL_01_041687,ONCNCC(C1)OC(O)=C1c2cc(F)c(cc2)C3=CCNCN3 -MOL_01_041688,c1ncccc1N(C2)CCCC2C(C)Cc3coc(n3)-c4ccccc4 -MOL_01_041689,COc(c12)ccc(c1)/C=N/C=C\CC3CC=C(CN3)C(=C/O2)\c4ccccc4 -MOL_01_041690,c1ccccc1C(=O)NCC(=N)CCC(=O)Nc(c2Cl)nc(cc2)S(=C)C -MOL_01_041691,c1nc(CN)ccc1C(=C)Nc(nccc2)c2-c3cc(F)ncc3 -MOL_01_041692,c1cccc(c12)oc(c2)CC(=N)CSc(c3C)ncn3Nc4ccccc4 -MOL_01_041693,c1cncc(c12)CC(C2)C(=O)Nc(cc3)ccc3C(C)NCC4=CN=CC4 -MOL_01_041694,N=CCC(O)c1c(nc(F)cn1)CNCNc(c2)ccc(c2C)-c3ccccc3 -MOL_01_041695,NC(=O)Nc(cc1)ccc1-c(ncc2)cc2Cc3ccc(cc3)C4CNONC4 -MOL_01_041696,c1cc(Cl)nc(c1C#N)-c(cc2)cc(c23)ccc(c3)CC=O -MOL_01_041697,COc(cc1)ccc1NC(=O)NCC2CCNN(C2)Cc3c(F)cc(F)cc3 -MOL_01_041698,c1cc(Cl)cc(O)c1OC(C(F)(F)C)CC(=O)Cc2cc(ccn2)N3CCOCC3 -MOL_01_041699,c1ccccc1\C=C\c2cc(nc(c2)NC(O)CCC)\N=C\c3ccncc3 -MOL_01_041700,C1C=CC(C1=C)CC(=N)c2cc(ccc2)S(C)Nc3ccc(F)nc3 -MOL_01_041701,CCCCCN(C)CCN(C)c(nncn1)c1-c2ccc(F)cc2 -MOL_01_041702,c1ccccc1NN(C2[*]C2)C(O)CCC(N=C3)=C(C3=4)NCCCC4 -MOL_01_041703,C1CC1NC(=O)c2cnc(nc2)N(CC3)NC=C3c(c4C)ccnc4 -MOL_01_041704,c1ccccc1C(Cl)Cc2ncn(c23)c(ccn3)CCc4cc(F)cnc4 -MOL_01_041705,CC(N)c1cc(C(C)O)cc(c1)-c2cnc(o2)SNc(c3)ccc(Cl)c3Cl -MOL_01_041706,NC1=COC(CC1)COCc2c(nncc2)-c3ccccn3 -MOL_01_041707,C1CCCCN1NC(O)N2CCN(CC2)c(ccc3)cc3-c(c4C)ccnc4 -MOL_01_041708,Clc1c(Cl)ccc(c1)NC(=O)CCc2cc(cc(n2)NC)C3CCOCC3 -MOL_01_041709,c1ncc(F)cc1CCC(=O)NC(CN)CCCCc2cn(nn2)-c(cc3)ccc3C(F)(F)F -MOL_01_041710,N=CCc1c(C)n(C(=O)C)cc1-c2ccccc2 -MOL_01_041711,C1COCCC1CNC(=O)C(C)Cc(c2C)nccc2-c(ccn3)cc3C(F)(F)F -MOL_01_041712,NCc1cc(cnc1)OCNCOc(c(c2)c3cc(c24)c4)cccccn3 -MOL_01_041713,CNC(C(=N)N)Cc(c1)ccc(OC)c1CCCc(cc2)ccc2C(F)(F)F -MOL_01_041714,Cc(c12)ccc(c1)\C=C(\C(=C)CC(C)(C)N)CC(=N)c3cc(/C(=N\2)N)ccc3 -MOL_01_041715,CC(O)c1ccc(cc1)NSC2=CCCN2C(C)Nc(nc3)ccc3CCN -MOL_01_041716,NCCC(=N)C1=CCC(C=C1)C(c2ccccn2)c3ccccc3 -MOL_01_041717,CCC(O)c1ccc(cc1)Nc2n(C)nc(c23)cncc3 -MOL_01_041718,ONCCC(C=C1N)=CN(N12)C=C(C=C2C)c3ccncc3 -MOL_01_041719,C1COCC=C1C(N)CCc2c(-c3ccncc3)ccc(c24)cccc4 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-MOL_01_041737,CC(C)NCCc1cc(cc(c12)cccc2)-c3cnc(nc3)C4=CCCNC4 -MOL_01_041738,c1cc(F)ccc1C(=N)CCCC2CCC(NC2)c3ccc(Cl)cn3 -MOL_01_041739,CC(=O)Nc(cc1)ccc1CCOc(cncc2)c2Cc3c(Cl)c(O)ccc3Cl -MOL_01_041740,c1cccc(c12)CC(C)C2C(=O)CN3CNN(CN3)Cc4ccccc4 -MOL_01_041741,c1c(N)cnc(c1c23)C(N)NCc2cccc3 -MOL_01_041742,c1cc(Cl)cc(c12)c(=O)n(cc2C)C(=O)NCc3ccccn3 -MOL_01_041743,C=C(C)c1ccc(cc1)NCN2OCN(CC2C)C(=O)NC(=O)Nc(n3)nccc3C -MOL_01_041744,c1cncc(N)c1CNC(=O)C(C)c2ccn(c23)cncc3 -MOL_01_041745,CCC(S(=O)(=O)C)CNCc1c(CNC)ccc(c12)cc(F)cn2 -MOL_01_041746,FC(F)(F)c1cc(ccn1)CC(=O)C(C2=CCCNC2)Nc3ccccc3 -MOL_01_041747,N#Cc1ccc(cn1)CC(=[*])CCC(c2ccncc2)COc(c3C)cn(c3)CC -MOL_01_041748,O1NNCC1CCC(=O)c2cc(ccn2)CNC(=O)c3cc(CC)c(CC)cc3 -MOL_01_041749,c1cc(F)ccc1COC(CCC2N)NN2N3CCN(NC3)Nc4ccccc4 -MOL_01_041750,c1ccc(O)c(C)c1CNC2C(CCCC2)NCc3c(C)c(O)cnc3 -MOL_01_041751,CCC(=O)Nc(ccc1)cc1CCc2cc(ncc2)Nc3ccc(cc3)N(CC4)C=CN4C -MOL_01_041752,O1CC1COc2cc(NCC3CC3)cc(c24)oc5c(c4=N)cc6c(c5)cccc6 -MOL_01_041753,c1ncccc1Cc2ccn(c23)c(ccn3)C4CCC(CC4)c5ccccn5 -MOL_01_041754,c1nc(F)ccc1C(O)NNCN(C2)N(C)CCCC2c3cncnn3 -MOL_01_041755,c1cccc(F)c1CC(N)c2ccn(c2)-c(cc3ON)cc(OC)c3OC -MOL_01_041756,[*][*]c1c(CC)ccc(c1)-c(nc2C(F)(F)F)nc(n2)NN3CCCN3 -MOL_01_041757,c1nccc(c12)cccc2CC(N)N3CCN(CO3)c4ccc(F)cc4 -MOL_01_041758,OCCc(c1)ccc(c12)ccnc2Cc3ccc(OC)c(n3)ON -MOL_01_041759,c1nnccc1CCN(c2ccccc2)C3CCC(CCN)C=CC3=N -MOL_01_041760,ON1C=CN(N=C1O)CC(=O)c2c(nsc2)NCc3ccccc3 -MOL_01_041761,c1cccc(c1C(=O)C)CCC(O)CC2=CCC(NC2)c(c3C)cccc3 -MOL_01_041762,n1cncnc1C(c2cnnnn2)C(=O)Nn(c3)ccc3CCCC -MOL_01_041763,c1cnc(C(F)(F)F)cc1C(=C)NCC(=O)NC(CC2)=CC(CC(O)O)=C2C(C)CCC -MOL_01_041764,c1cccc(CC(=O)CN)c1C(=O)CC(c2ccccn2)c3ccccc3 -MOL_01_041765,CC(=O)/C=C/C(=O)Nc1ncc(F)c(F)c1CC -MOL_01_041766,C1C(N)C(=O)C(C)=C1C(=O)NCc(cc2)ccc2Cc3c(C)cc(C)cn3 -MOL_01_041767,c1ccccc1C(C)OCC(N)Nc(sc2)cc2-c3ccc(F)cn3 -MOL_01_041768,NCC/C(=C\1)/C=C\C=C\CCc(c1c23)ccc2ncnc3 -MOL_01_041769,c1cccc(F)c1CC(=O)C(c2ccc(F)cc2)c3cc(ncc3)NC(N)COC -MOL_01_041770,C1Cc(c12)cc(c(C)c2)NS(=O)(N)c(cc3)ccc3-c4c(F)cc(F)cc4 -MOL_01_041771,c1cncc(c2cc3)c1c(CCCC)c4ccc5ccc(c3c5c24)OCCN -MOL_01_041772,C1CCCCN1Cc(cn2)ncc2CC(O)c3c(Cl)ncc(n3)OCc4ccccc4 -MOL_01_041773,NCCCC(=C)CN(C(N)N1)C(N)=C1Nc(cc2CN)cc(CC)c2CC -MOL_01_041774,c1ccnc(c12)ccc(c2)N(CN)C(N)c3ccnc(c34)cccc4 -MOL_01_041775,Cc1ccc(nc1)NC(=O)CCC2CCN(CN2)c3cccc(n3)OC -MOL_01_041776,CCNC(O)NC(C=C1)=CC2=NN=C3CC(=C4C123)CCCC4 -MOL_01_041777,O=CCc(n1)ncc(c12)ccc(c2N)-c3ccccc3 -MOL_01_041778,NC(=O)c1ccc(cc1)NCC(N)c(n2)oc(c23)cccc3 -MOL_01_041779,c1ncncc1C(=O)N(N)c2ccc(cc2)OCc(cc3)nc(c34)nccc4 -MOL_01_041780,Cc(c1)c(Cl)cc(c1[*]C)NC(=O)C2CCN(CN2)NCc3ccccc3 -MOL_01_041781,c12ccc(nc1)C(=O)NC/C(=N\C=C\C(\CC)=C\C=C/2)NCc3c(C)nccc3 -MOL_01_041782,CC(F)(N)c1cc(C(F)(F)F)cc(c1)Cc(c2)ncc(c23)cc(C)nc3N -MOL_01_041783,CC(N)c1cc(cnc1)-c(c2C)nccc2 -MOL_01_041784,c1cnnc(c1C(C)C)CCCc2cncn2-c3cc(O)ccc3 -MOL_01_041785,COc(c1)ccc(c12)cc3c(ccc(Cl)c3)c2CCNCC4=C(NCCC4N)c5ccncc5 -MOL_01_041786,CC(N)NCCC(=O)c1cc(nc(O)nc2)c2c(c13)cc4c(c3)cccc4 -MOL_01_041787,C=C(C)NCC(C1)CC(C1=O)c2ccc(cc2)-c3ccc(=N)c(cc3)OCCC -MOL_01_041788,c1cnc(N)cc1C(=O)NC/C=N/NN(CN2)CCN2c(c3Cl)cccc3Cl -MOL_01_041789,N#CCNCCNC(=O)CCC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)nc2 -MOL_01_041790,c1ncccc1CNc(n2)ccc(c23)nc(C)nc3C -MOL_01_041791,CCOc1c(ncnc1)OCC(=O)Cc2ccc(nn2)N3C=CC=CC3 -MOL_01_041792,CCCc(c1C(=N)N)cc(nc1)CC2N(O2)CCN3C=C3 -MOL_01_041793,N=Cc1c(CC)ccc(c1)-c(cc2)ccc2CCN -MOL_01_041794,O=C(O)c(n1)ccc(c12)nc(cc2)Nc3cc(F)ccc3 -MOL_01_041795,CCNOC(=O)c1c(c(C=O)ccc1)-c(c2CN)cccn2 -MOL_01_041796,CC(=O)Nc(ccc1)cc1Cc2ccnc(n2)C(CC3)CCC3(C)c4ccccc4 -MOL_01_041797,FC(F)CNc(ccc1Cl)c(C)c1CC(=O)NCc2c(F)cncc2 -MOL_01_041798,FC(F)(F)c1ccc(cc1)\C=C\C(=O)Cc(c2)ccc(c23)CC(C)(C)NC3(C)N -MOL_01_041799,CC(=O)c1ccc(cc1)-c(cccc2)c2CCC(C3)CC=C(C3=4)N=C(C4)C(C)O -MOL_01_041800,c1cc(=N)[nH]c(c12)cc(cc2)NC(=N)NC3=CN(CC3)c4cccnc4 -MOL_01_041801,CNN(C)CCCNC(N)N(C(=C)C=1CCCC)C=c(c12)cccc2 -MOL_01_041802,NCC(=O)c1cc(ccc1)Cc2cc(ncc2)CCCCc3ccc(Cl)nc3 -MOL_01_041803,CNCCSc(c1)c(-c2ccccc2)cc(c13)cnc(c3)CC -MOL_01_041804,c1cccc(c12)cccc2NC(=N)Cc3c(nccc3)OCc4c(Cl)cncc4 -MOL_01_041805,c1ccc(Cl)cc1CC(=O)Nc(nc2CCC)n(n2)-c3ccccc3 -MOL_01_041806,c1ccccc1C(=O)c2c(C=O)c(NCCC(C)C)ccc2CCCCN -MOL_01_041807,c1cc(Cl)ccc1Cc2cc(C)nc(n2)Cc(c3)ccc(c3CN)-n(n4)ccc4C -MOL_01_041808,C1CC1COc(n2)cnc(c23)NN(CC3)Cc4ccncc4 -MOL_01_041809,n1ccccc1CCN(C)Nc(ncn2)cc2-c3c(Cl)cc(Cl)cc3 -MOL_01_041810,N#CN(CN1)C=C=C1NCC(C(C2(F)F)NCC2)C(=O)CCc3ccc(F)cc3 -MOL_01_041811,CC(=O)n1ccccccnc1CNCCc2nnc(Cl)c(c23)cccc3 -MOL_01_041812,NC(F)(N)c1cc(ccc1)-c2cc(NCNC(C)C)cc(n2)-c3ccccc3 -MOL_01_041813,CCCC(S)Cc(c1CC)ncc(c1)CC(O)c2c(F)cccn2 -MOL_01_041814,CC(C)c1ccc(cc1)C/C2=C/C(/c3ccc(F)nc3)=N\C(\CN)=N\CCC2 -MOL_01_041815,c1ccccc1C(=O)Nc(cccc2)c2C(O)Cc3ccc(Cl)nc3 -MOL_01_041816,OCCCc1c(cccc1)CNc(nc2)nc(c2CO)NCc3cc(N)c(cc3)OC -MOL_01_041817,CCCNc1nnc(n1OC)NOc(n2)cnc(c23)OCC3 -MOL_01_041818,O=CCCc1c(F)cc(cc1)-c2cc(ncc2)NC3CCCN(C)NC3 -MOL_01_041819,CC(O)c(nc1)ccc1CC(=O)C(Cc2ccccn2)NC(=N)c3ccccc3 -MOL_01_041820,CC(=O)Nc1c(CCO)c(C)cc(c12)C=CC2 -MOL_01_041821,c1c(O)ccc(F)c1C(O)N(CC2)CCC23C(=O)CCCCNN3 -MOL_01_041822,c1ccccc1NCC(=N)c2ccc(cc2)NC(O)c(cn3)n(c34)cccc4 -MOL_01_041823,c1cncc(NC=O)c1C(CCN)CC(C)CN -MOL_01_041824,Clc1cnc(nc1)NC(=O)CC(C2=CO2)c3c(CC)ccc(Cl)c3 -MOL_01_041825,CCCc1ccc(cn1)Nc(c(F)cn2)cc2Cc3ccc(nc3)ONC -MOL_01_041826,c1cccc(c12)sc(c2)C(CN(C)C/C=C/3)/C=N/N=C\3N4C=CCCC4 -MOL_01_041827,CCC(=O)c1cc(ccc1)NC(=O)C2=CC=C(CC2)Nc3ncccn3 -MOL_01_041828,C1=CC1CC(CCC)C(=N)c2ccc(cc2)C(c3cccnc3)C4C=CN(C=C4)CC=N -MOL_01_041829,N#Cc1cc(ccc1)-c2cc(C3=NCC(C(=O)N)CC3)cc(c24)cccc4 -MOL_01_041830,n1ccnc(N)c1C(C#N)C2=CCC(C=C2)C(=O)OCCC -MOL_01_041831,NCCc1ccc(cc1)-c(cc2)ccc2-c3nc(on3)-c4cccnn4 -MOL_01_041832,c1cccc(c1C)NNCC(O)c2ccc(cc2)-c3ccccn3 -MOL_01_041833,c1cncc(c12)CC(C=C2)CCC(N)Cc3ccn(c3)Cc4c(F)cccn4 -MOL_01_041834,Clc1cnc(nc1)NCCCN(C)COc(c(F)nc2C)c(c23)cccc3 -MOL_01_041835,c1ccccc1CC(N)N(C)NCOc(cn2)ncc2-c3ccccc3 -MOL_01_041836,CCCNC(C)c1cccc(C)ncc(cn1)-c(cc2)ccc2-c3cnn(n3)N -MOL_01_041837,C1CCC=C1c2c(N)nc(nc2)-c3ccccc3 -MOL_01_041838,Cc1c(F)cnc(c1)N(CN2)C=C2Oc3cccnc3 -MOL_01_041839,FC(F)(F)C1CCCN(C1)C(=O)c2ccc(cn2)C(O)N3CCCC3 -MOL_01_041840,c1cccncn(C(=O)O)c(c12)cc(cc2)CCCN3CCCOC3 -MOL_01_041841,NCC(=O)c1cc(ccc1)Cc2c(F)cc(cc2)CC(O)c3cc(ccn3)-c4ccccc4 -MOL_01_041842,c1cc(O)ccc1\N=C\C(c2c(O)cccn2)CCC(O)Nc3ccc(F)cc3 -MOL_01_041843,c1ccnn(c12)ccc2CNC3=CCN(CN3)Nc4cccnc4 -MOL_01_041844,NCc1cccc(CC2C=N2)cccc(c3)n1c(c34)cc(cc4)CN(C)C -MOL_01_041845,N/1=C\C=N/C=C/C=C(\C1=C)n(nccc2)cnc(c23)ccnc3 -MOL_01_041846,c1cc(F)cc(F)c1NC(=N)CCC(=O)N2CCNc(c23)ccnc3 -MOL_01_041847,NN(O1)N=NN1c2ccc(cc2)OCc3cnnn3Cc4ccc(F)nc4 -MOL_01_041848,CC(=O)c1ccc(cc1)CCC(O)CC2=CCN(NN2)c(nc3)ccc3F -MOL_01_041849,n1nccc(C)c1CCc2ncc(nn2)-c(cc3)ccc3CNN -MOL_01_041850,n1cnccc1C(=C)CCc2cc(Cc3ccc(C)nc3)nc(n2)Nc4ccccc4 -MOL_01_041851,c12n(O2)c3c(n1)nc(C)c(n3)Oc4ccccc4 -MOL_01_041852,NCC(C)(C)c1c(N(C)C)cc(cn1)NCC -MOL_01_041853,C#CCOc(c1CN)ncc(c1)NCNC(=O)C(C)c2ccc(Cl)cc2 -MOL_01_041854,N#Cc1cccc(n1)CC(=O)CCC(O)CC(C2=C)=NC(=C2)c3ccccc3 -MOL_01_041855,NC(=O)c1cccc(c12)c(ncc2)CCc3cnnc(n3)NC=N -MOL_01_041856,c1nc(F)ccc1C(c2ccc(F)nc2)NCCN(CC)CCCN(CC3)Cc(c34)cccc4 -MOL_01_041857,O=CCN(C(Cl)(Cl)C)CC1C(N=CN1)c2ccc(Cl)cn2 -MOL_01_041858,CN(C)C(C1)C(C(=N)NC)C=C1CCc2cc(ncc2)Oc3cccnc3 -MOL_01_041859,Nn(n1)nnc1Nc2nccc(c23)cnc(c3)Oc4c(F)cncc4F -MOL_01_041860,n1ccccc1CN(C)CC(=O)Nc(c2)c(N)cc(c23)cc(OC)c(c3)CN -MOL_01_041861,COc(cc1)ccc1NC(=O)C2C(CCC2)C(=O)Nc(c3C)ncc(C)c3 -MOL_01_041862,c1cccc(CC#N)c1C(=C)CCC(=N)N(Cc2ccccn2)Nc3ccccc3 -MOL_01_041863,CC(=O)CCC(C)N(CC)Cc(c1)ccc(c1CC)OCCC2=C(C)CCC2=O -MOL_01_041864,CCCC(=O)CCCCNCc(nc1C(C)C)c(cn1)-c(oc2)cc2C -MOL_01_041865,O=CCc(nc1)ncc1-c(cc2)ccc2CN -MOL_01_041866,FC(F)(F)c1ccc(c(n1)ON)COCC(N)CC(CC2)CCC2C(O)Nc3ccccn3 -MOL_01_041867,c1cccc2c1nc(CCNCNC(=O)N)c3n2cc(c34)cccc4 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-MOL_01_041885,CC(C)C(=O)NCC(O)CCCN1CCCCC1c2ccccc2 -MOL_01_041886,O=Cc1cc(c(Cl)nc1)NC(O)CSc(c2)nc(C)c(N)c2C -MOL_01_041887,c1cccc(OC)c1CCCc2nc(nc(n2)NC)Cc(c3)ccc(c34)nccc4 -MOL_01_041888,n1ccnc(c1C(C)=N)Nc(c(Cl)cc2)cc2Cc3ccnnc3 -MOL_01_041889,c1ccccc1NCC(=N)c2c(nccc2)-n(c3)cc(c34)cccc4 -MOL_01_041890,n1ccccc1C(=N)Nc(n2)cccc2N(C)CNC(=O)NCCc3c(Cl)cccc3 -MOL_01_041891,n1ncccc1C(C)CC(=O)C(CC2)CC=C2N(C)c3cnccn3 -MOL_01_041892,C1CNC(=[*])CCNC(\c2ccccc2)=C\CC1(O)Cc(nc3)ccc3CC -MOL_01_041893,c1ncccc1CCC(=O)NC2CCN(CC2)Cn(cn3)c(c34)cccc4 -MOL_01_041894,CC(N)N(C)c(cc1)ccc1-c(ccccn2)ccc(OC)c2CN -MOL_01_041895,CC(N)/C=C/c1c(cnc(Cl)c1)OCCC(O)Nc2c(O)cccc2 -MOL_01_041896,NOCCCC(=C)C1=CCC(CN=C1)Cc2ccc(cn2)-c3ccccc3 -MOL_01_041897,CCCc1ccc(cn1)NCC(=O)c2nnc(o2)Nc3ccc(Cl)cc3 -MOL_01_041898,C1CNCCC1CCC(c2ccccc2)C(=O)NNCCc(nc3)ccc3CC(F)(F)C -MOL_01_041899,CC(N)c1ccc(cc1)-c(cc2O)cc(c23)ccc(c3)CNCCCCF -MOL_01_041900,Cc1c(Cl)c(oc1)N(N)C(OC)OCCCc(nc2)ccc2CCC -MOL_01_041901,N=CCc(nc1)cc(c1C)-n(c2)ncc2-c3cccnc3 -MOL_01_041902,c1cccc(c12)nc(C(=O)OCC)nc2Cc3cc(cc(C)c3)Cc4ccncc4 -MOL_01_041903,CCN(C)C/C=C1/C(=O)C(C(=C)CC1=O)c2ccc(O)nc2 -MOL_01_041904,c1cnccc1CC(=N)c2c(nccc2)C(=N)Oc3ccccn3 -MOL_01_041905,CC12C(=C1)/C(O)=C(NC(C)N)\C=C\C=C(/C=C/2)NNc3c(F)nccc3 -MOL_01_041906,c1cccc(N)c1CNC(=O)NNC(c2ccc(Cl)nn2)C3CCOCC3 -MOL_01_041907,N=CNc(cc1)ccc1-c2cccc(c23)onc3C -MOL_01_041908,CC(N)Nc(nc1)c(cc1C=N)-c2ccc(F)cc2 -MOL_01_041909,C1CCCCC1C(N)(O)c2ccc(cc2)NNC(O)c(cc3)cn(c34)ccc4 -MOL_01_041910,Cc1cc(ccn1)NC(N)CCC(=C2C#N)CC(C)=C(C=O)C2c3ccccc3 -MOL_01_041911,c1ccc(F)cc1CC(C)(CO)CCCNCc(nc2)nc(c23)ccc(F)c3 -MOL_01_041912,C1NN(C)CC=C1Cc(cc2CCCC)nc(c2)Nc3ccccc3 -MOL_01_041913,NC(=O)c1ccc(nc1)CC(N)c2cc(F)c(cc2)NCC -MOL_01_041914,n1c(Cl)ccc(c1C=N)NC(=O)CC2CCNCN2 -MOL_01_041915,n1ccccc1N/C=c(/cc2)nc(/c2=3)CCCCCNC(N)N(C)\C=C\C3 -MOL_01_041916,N1C=CC=CC1CCC(C)C(=O)C(CC2)CCC23Cc4c(C(=O)C3)cccc4 -MOL_01_041917,CCC1CCC(NC1)CCC(=O)CNC(=O)c2ccc(CC)cc2 -MOL_01_041918,N=CC(C1)CC(C12)CN(C2)c(cc3OC)nc(c3)OC -MOL_01_041919,CCc(n1)ccn(c12)c(C(C)C)cc2CC3CNC(C)NC3 -MOL_01_041920,CCCNC(=C1)OC(C1=2)CN(C3CO3)NCC2C -MOL_01_041921,O1OC1c(c2)ccc(c23)CC(C(=O)CN)C(C3=N)Cc4ccccc4 -MOL_01_041922,OCNCc(cc1=C)nc(c1=2)C=C(C2)CCC -MOL_01_041923,n1c(Cl)cccc1C(=N)CC2C=CN(C=C2)c(ncc3)cc3Nc4ccc(F)cc4 -MOL_01_041924,c1cccc(c12)nc(cc2O)CCC(=O)OCC(N)Nc3c(N)cccc3 -MOL_01_041925,n1nc(Cl)ccc1NC(=C)C(C)C(C)CN(CC)C(\C=C/2\C(F)(F)F)=N\C=C/C=N\2 -MOL_01_041926,NCCCC(=N)c(c1)c(N)nc(c12)cncc2 -MOL_01_041927,c1ccccc1CC(N)CNc(ccc(F)c2)c2-c3c(SO)cccc3 -MOL_01_041928,O=CCCC(C)CC(O)Nc(cc1)nc(c12)ONCC2 -MOL_01_041929,FC(F)(F)CCCc(nc1)ccc1C(O)CCCc2c(cccc2)-c3cnc(C)nc3 -MOL_01_041930,Cc1ccc(nc1)NC(N)c2c(N)ccc(c2)Cc(cc3)ccc3C(O)O -MOL_01_041931,[*]c1cc(O)c(cn1)CC(=O)NCc2c(cncn2)N(C)CCC -MOL_01_041932,NCCCC(C)CNc(c1)cnc(C)c1CC -MOL_01_041933,c1ccccc1-c(nc2)nc(c2C)NC(=O)c3ccc(cc3)CNC(O)CNC -MOL_01_041934,CC(N)OCCNC(O)c1c(nccc1)Nc(cc2)ccc2Cc3ncccn3 -MOL_01_041935,FC(F)(F)c1c(Cl)ncc(c1)CC(=N)Cc2ccc(cc2)Cc3cc(ccc3)NC(C)N -MOL_01_041936,n1ccccc1CNC(C)Nc(c(F)cc2)c(F)c2CS(=O)Cc3ccccn3 -MOL_01_041937,c1cccc(c1[*])CC(=O)CNNCNC(CC)c2c(Cl)cccc2 -MOL_01_041938,[*]C1[*]NCCC1NC(=O)CC(C2)=NC(C=23)=CC(C)CC3 -MOL_01_041939,N=CC1CCN(NN1)Cc2nc(C)cc(c23)ccc(c3)OCC -MOL_01_041940,N[*]\C(\C1)=C(/CC)\C=C\C=C/CC2=CC(=C3/C=12)C=CN=CN3C -MOL_01_041941,CNC(=N)c1c(cccc1)C(/C=N\C=C\2)C(\CC)=C\C=C\C=C\C=C/2\CC -MOL_01_041942,C1CCCC1CCNC(N)CCc2ccc(nc2)Nc(n3)nc(C)cc[nH]c(c34)cccc4 -MOL_01_041943,C=COCC(=O)N(CN)c1nccc(c12)cccc2 -MOL_01_041944,n1ccncc1C(C(=O)CC)C2=CCC(CC2)Cc3ccncn3 -MOL_01_041945,n1ncccc1OC(=C)C2C=CC(CN2)CNn(cc3)c(c34)ccc(Cl)c4 -MOL_01_041946,CC(=O)C1C=COc(c12)ccc(c2)C(=O)O -MOL_01_041947,c1ncccc1/C=N/NC2CCN(CC2)Nc3coc(n3)-c4c(F)cccc4 -MOL_01_041948,CCCNCCc1c(cncn1)C2/C=C\CC/N=C\C2 -MOL_01_041949,CC(=O)c1cnc(cn1)Cc(n(c23)ccc2)c4c(c3)cc(CN)cc4 -MOL_01_041950,N#Cc1ccc(cc1)Nc(ccc2)cc2-c3ccc(nc3)Cc4c(N)cccc4 -MOL_01_041951,NCOc(c1)c(OCC)cc2c1ccc(c23)c(C)cc(c3)-c4ccncn4 -MOL_01_041952,N1COC=CC1NC(=O)Nc2ccc(cc2)OC3=CON(C=C3)C4CCN4 -MOL_01_041953,Fc1cccc(c1C(=O)N)CCCCNC(O)c2c(C)cccc2C -MOL_01_041954,C1C(F)(F)Cc(c12)ncc(c2)Nc3c(N)cccc3 -MOL_01_041955,o1cccc1C(O)C2CCC(CC2)c(nn3)ccc3CC(O)Nc(cc4)ccc4C -MOL_01_041956,COC(=O)C(C)(N)Cc1cc(CC)nc(n1)-c(cc2)ccc2Cc3ccc(F)cc3 -MOL_01_041957,CCC(=O)c1cc(cc(n1)C(O)OC)NCCCCC(N)Nc2ccncn2 -MOL_01_041958,C1CNCCC1C(N)(N)c2cc(ncn2)C(O)Nc3ccc(F)cc3 -MOL_01_041959,n1nc(Cl)ccc1CC(=O)c2c(ccnc2)CC(=O)c3ccc(cc3)-c4ccccc4 -MOL_01_041960,NC(=O)NC(C)CCc1ccc(cc1)Oc2ccc(nc2)NNc3cccnc3 -MOL_01_041961,c1cc(C(=N)N)ccc1C(=O)c2ccc(cc2)CC(N)COc3c(Cl)cccc3 -MOL_01_041962,CNNNC(=N)Cc1c(nccc1)Cc2c(Cl)ccnc2Cl -MOL_01_041963,c1cc(Cl)c(Cl)cc1CC(=O)Nc(nnc2)cc2OCN(C)CCCC -MOL_01_041964,c1ccnc(c12)/C=C/3\C(=C\N=C/CC2)CC/C=C\C/C=N/C=N\N=C\3 -MOL_01_041965,n1ccccc1C(O2)C2/C=N/c(c(Cl)c3)cc(c34)nccc4 -MOL_01_041966,C1CCCCC1CNC(=N)C(NCC2)C2C(=O)Nc3ccc(nc3)OC -MOL_01_041967,c1cccc(c12)nc(nc2)C(=O)NCCC3C=CC(CC3)c(cc4)ccc4C -MOL_01_041968,n1c(Cl)cccc1NCC(C)c2cocc(cccn2)-n(cn3)cc3N -MOL_01_041969,c1ccccc1NC(=O)c2ccc(cn2)CC(O)c3c(C)c(C(C)O)ccc3 -MOL_01_041970,n1ccc(OCO)cc1CCC(=O)C2C(NCCC2)Nn3cccn3 -MOL_01_041971,CC(F)(F)c1ccc(cc1)CC(=N)n2ncnc2CNc3cccnn3 -MOL_01_041972,O=C1N(C)C(=O)C(C)=C(C12)C=CC=2CCCNCCc3cc(Cl)c(Cl)cc3 -MOL_01_041973,C1O[*]CCC1NC2[*]CC(CN2)NC(=O)c3c(CC)cccc3CC -MOL_01_041974,NCCOC(C(C)CO)NCc(c1c2ccc(c13)n3)c4c(c2C)c(C)c5c4cccc5 -MOL_01_041975,c1cccc(c1C(F)(F)F)NC(=O)NN(C=C2)CC=C2c3ncccn3 -MOL_01_041976,CC(=O)C1=CN(CC)CC=C1c2cnccn2 -MOL_01_041977,n1ncccc1C(C)(C2CCCO2)CC#CCN3CCNCNC3 -MOL_01_041978,O=C1CC(O)CN(O1)CCc2c(cc(Cl)cc2Cl)OCc3ccncc3 -MOL_01_041979,CC(=O)c1ccc(cc1)OC([*])(N)C(O)CNC(=O)c2c(Cl)cc(F)cc2 -MOL_01_041980,CCOC(=O)CC(=O)CCC(OCN)(OCN)c(c1)ccc(c12)OCC2 -MOL_01_041981,c1cccc(c12)c(N)cc(C)c2CCCCONc(c3C)ncccccc(n3)C -MOL_01_041982,c1cc(F)ccc1CC(=O)Cc(cc2)cc(c23)cncc3O -MOL_01_041983,CNC(=O)c(cc1)nc(c12)ccc(c2)OC\3=C\C=C/C=C\C=C/3 -MOL_01_041984,c1ccccc1CC(CN)C(=O)Cc2cccc3c2C34C(=C4)N -MOL_01_041985,C1CCCCC1N(CC)C(=O)C(C2)=CC(\C=23)=N\C=C\C=C/C=N/C3=O -MOL_01_041986,CC(C)(N)Nc1c(cccc1)Nc(c2)cc(NCCC)cc2C3CNOC3 -MOL_01_041987,c1cccc(c12)cncc2CC(=O)C\C3C(C)CC(=O)CCC(/C=34)=CC=C4 -MOL_01_041988,c1cc(CN)c(CC)cc1C(=N)Cc(ccc(Cl)c2)c2C(=O)c3cc(C)cnc3 -MOL_01_041989,c1cccc(c12)ccc(c2)S(=O)(N)NCCCCN(CC3)CCC3c4ccc(Cl)nc4 -MOL_01_041990,c1cc(F)c(F)c(F)c1CC(=C)CC(N)CC(=O)CNc2c(OC)cccc2 -MOL_01_041991,c1ccccc1NC(=O)C(C2)Cc(c23)cncc3 -MOL_01_041992,c1cccc(c12)CN(C=C2)CC(N)Cc(c3)ccc4[nH]c(c5c34)cccc5 -MOL_01_041993,c1c(Cl)ccc(CCO)c1C(=O)NCCN2CCCCC2 -MOL_01_041994,Fc1ccc(F)c(F)c1CN(CC2)CCC2(CC#N)C(=C3)C=C(CN)C3(C)Cc4ccccc4 -MOL_01_041995,CN(C)C(=O)CN(C=O)C(CCCC1)CC1Cc(c2CC)cccc2 -MOL_01_041996,NOC(=O)c1cc(c(Cl)cc1)CC(=O)CC2=CCC(CN2)Cc3ccccc3 -MOL_01_041997,c1cccc(c12)nc(cc2O)CN(C(=O)c3ccc(C)cc3)Cc(c4)ccc(c45)CNC5 -MOL_01_041998,o1cccc1CCC(=O)C2CCC(CC2)n(c3)ccc3-c4ccccn4 -MOL_01_041999,C=S(N)c(cc1)ccc1C(=CC=[*]2=[*])N2c(cc3)ccc3CN -MOL_01_042000,CC(O)c1ccc(cc1)CC(=O)c2cccc(c23)cnnc3C=O -MOL_01_042001,CCCCNCc(nc1CC)nc(n1)N(CC2)CCC2c3ccc(Cl)cn3 -MOL_01_042002,c1nnccc1NC(=O)C2CCN(CC2)c3cc(ncc3)-n4ccnc4 -MOL_01_042003,CC(N)CC(CO)Cc(cc1Cl)cc(c12)OCNCO2 -MOL_01_042004,c1cccc(c1CC)OC(=[*])COCNn(nn2)c(c23)cnnc3N -MOL_01_042005,C=CC(=O)Nc(ccc1)cc1CC(=O)Cc2ccnc(n2)Cc(cc3)ccc3C(C)N -MOL_01_042006,N#CC1CC=CN1C(=N)Cn(c2)ccc2CCC(=O)C(C3)Cc(c34)cccc4 -MOL_01_042007,[*]c1c(CN)ccc(c1)Nc(cc2)ccc2NC(=O)Cc3cc(Cl)ccc3 -MOL_01_042008,O=CNc(cc1)cc(F)c1Oc2ncnc(C)c2CNOCC -MOL_01_042009,C#Cc1c(NC=N)sc(c1=2)=CNCC2 -MOL_01_042010,n1cccc(F)c1C(=C)CNC(=O)CCNC(=C)c2ccc(cn2)C(O)O -MOL_01_042011,c1cccc(c1C(N)O)NC(=N)c2cc(ccc2)Cc(cn3)ccc3C(C)C -MOL_01_042012,C1NCCC1Cc2cc(ccc2)Cc3cc(ccn3)-c(cc4)ccc4CS(=O)C -MOL_01_042013,OCCC(=C1)N=CN(C\1=2)N(CCCCC/C2)NC3C=CCC3 -MOL_01_042014,c1cnccc1NC(=O)CN2CCC(CC2C)c(cc3)ccc3C(O)O -MOL_01_042015,N#CCCc1c(F)cc(cc1)N(N2)CC23CN(C)N3 -MOL_01_042016,C=CC(=N)Nc(ccc1)cc1-c(cc2)ccc2CC(O)Cc3c(C)ccnc3C -MOL_01_042017,NCCc(ccn1)cc1C(O)NCCc(cc2)nc(c23)OCO3 -MOL_01_042018,c1ccccc1NNCC(N)CCc2cn(cn2)-c3c(Cl)ccnc3 -MOL_01_042019,n1cc(C)ccc1C(O)Nc(cccn2)c2CCc(c3)ccc(c34)cccc4 -MOL_01_042020,c1cccc(c12)cc(CC=O)c(c2O)-c3c(N)cncc3 -MOL_01_042021,CCCN1C(CC)C(CCC1=O)CNCc(n2)ccc(c23)occ3 -MOL_01_042022,c1ccc(NC(=O)N)cc1Cc2ccnc(n2)C3CCC(O)NC3 -MOL_01_042023,N1CCCN1CCc2c(O)c(nnc2)-c3ccccc3 -MOL_01_042024,C1CCCC1C(=O)Cn(c2)nc(c23)ccc(c3)C(=O)c4c(CN)cccc4 -MOL_01_042025,NC(=O)N1C=CC=CN1Nc(ccc2)cc2CCCc(c3C(F)(F)F)cncc3 -MOL_01_042026,NNC(=O)c1cc(ccc1)Cc2cc(ncc2)C(C3)C=C3Cc4ccc(Cl)cc4 -MOL_01_042027,CC(=O)NC(N)c1ccc(cc1)CN(CC2)Cc(c23)ncc(n3)OCC(F)F -MOL_01_042028,CC(O)c(n1)ccc(C)c1C(=O)NCc2ccc(cc2)-c(c3C)cccc3 -MOL_01_042029,CCCCC(=O)Nc(cc1)ccc1C(=O)C(CN2)CC=C2C(=O)OCC -MOL_01_042030,c1c(Cl)ncc(c1C(F)(F)F)C(O)Nc(cc2C(F)(F)F)ccc2 -MOL_01_042031,n1cnccc1-c(o2)nnc2CN3CCN(CC3)c4ccccc4 -MOL_01_042032,c1ccccc1C(N2CCCNC2)NNCc(c3)cc(OC)c(OC)c3CC -MOL_01_042033,CC#CCCc(cn1)ncc1C(C)Cc2ccc(cn2)OCCC(C=C3C)C=C3O -MOL_01_042034,c1nc(F)ccc1C(c2ccc(F)nn2)CCNC(=C3C)NCC3 -MOL_01_042035,c1cccc(C)c1CC(=C)NCCN2CCN(CC2)c3c(NN)ncc(F)c3 -MOL_01_042036,c1ncnc(c12)nc(c(n2)N)CCC(=O)Nc(c3)ccc(c34)cccc4 -MOL_01_042037,C1=CC1CC(N)c(c2)ncc(c3)c2[nH]cccc(c3c45)ncc4cccc5 -MOL_01_042038,FC(F)(F)c1ccc(cc1)-c2ccc(nc2)Nn3c(C)nnc3/C=N/C -MOL_01_042039,c1cc(CN)cc(c1CN)Nc(c(c23)ccc2)cc4c3nn(C)nc4 -MOL_01_042040,NCC(=O)C(CC1)CC=C1Cc(c2CO)ncnc2C -MOL_01_042041,FC(F)(F)CC1=NCC(=CC1)NCc2nc(cncc3)c3c(c24)cccc4 -MOL_01_042042,CC(=O)c1ccc(nc1)CCNCCNC(N)n(c2)ccc2-c3ccccc3 -MOL_01_042043,n1cncnc1N(CC=N)[*]c2cc(C)c(CCC)c(c2)OC -MOL_01_042044,c1ccccc1NCCc(nc2)ncc2CC(CC3)CCNCCNCCc(n4)cccc34 -MOL_01_042045,C=C(C)NCCNc(ccc1)cc1Cc(n2)sc(c23)cc(CN)cc3 -MOL_01_042046,N=CNC1=CC(CCC=C1)NCc(c2)ccc(c23)nc(F)cc3 -MOL_01_042047,c1cnccc1C(=O)C(C)N(C)C(=N)Nc2ccc(nc2)Nc3ccccc3 -MOL_01_042048,N1COCCN1c(ccn2)cc2Cc3cc(c(F)cn3)Nc4c(F)cccc4F -MOL_01_042049,c1cc(S(N)O)ccc1-c(nc2C(F)(F)F)cc(n2)ONCCC -MOL_01_042050,C1NCCC=C1CC(O)Nn(n2)nnc2-c(c3)ccc(OC)c3CC -MOL_01_042051,c1ccccc1C(C(=N)O)N(CC2)CCC2N(CC3)CCC3Nc(c4)ccc(Cl)c4Cl -MOL_01_042052,FC(F)(F)CC1=C(N)C(NNCC)CCc(c12)cccc2 -MOL_01_042053,NCc(c1)c(NC)cc(c(c2)CNC)c1c(c2c34)[nH]c3ccc5c4ccc(C)c5 -MOL_01_042054,C1COCCC1C(C(C2)N)C(=O)C2(c3ccccc3)c4ccccc4 -MOL_01_042055,n1cccc(C)c1CCC(O)c2cc(ccc2)-c3ccc(cc3)OCN -MOL_01_042056,NCc(c1)ccc(c12)CN(C2)C(=O)Cc(cc3)ccc3C(=O)NCCC -MOL_01_042057,Cc(c1)nc(C)cc1CCc2c(CCNN)nnc(c2)CCc3cc(N)nc(n3)C -MOL_01_042058,c1cccc(F)c1CC(=O)Nc(ncnn2)c2CCc3ccccc3 -MOL_01_042059,c1cncc(Cl)c1C(=O)Cc2ccnc(n2)CN(CC3)CCC3C(=O)CN4C=CCCC4 -MOL_01_042060,CCC(=O)N(CCC)c(cc1)ccc1C(C)Cc(c2CN)nncc2 -MOL_01_042061,CCc(cc1)c(CC)cc1C(O)Nc(c2C)c(O)nc(n2)SNCO -MOL_01_042062,FC(F)(F)c1cc(ccc1)N(CC2)CCN2CN(C3=N)C(N)CN3c4ccc(F)cc4 -MOL_01_042063,c1ccccc1NCC(=O)c2c(cc(Cl)cc2)NCc3ccccn3 -MOL_01_042064,CCCC(=O)c1c(Oc(cc2Cl)ncc2)ccc(c1)NSO -MOL_01_042065,CC(=O)NCc1cccc(n1)-c(ccc2)cc2Cc(cc3C(F)(F)F)ccc3 -MOL_01_042066,CCC(=O)CCC(=O)Cn1c(ccc1C)Nc2c(F)ccc(c2)O -MOL_01_042067,CC1CCN(CC1)C(=N)c(c2)ccc(c23)cc(cc3)CCCCC4CNNCN4 -MOL_01_042068,ClCC(=O)Cc1ccc(cc1)Cc2cccc(c23)cc(CN)c(c3)OC -MOL_01_042069,n1ccccc1\N=C\CC2CC(CN2)Nc(cn3)ncc3CCCNN(C)C -MOL_01_042070,Cc1c(N)c(ccc1)N(CC2)C=CN2CC(C3)C\C=C/C=C\C=C\C3=O -MOL_01_042071,n1cnccc1CNC(=O)N2CCNN2C(O)CCc3ccc(C)cc3 -MOL_01_042072,n1cc(N)ncc1/C/2=N/C=C/N=C\C=N/C(=O)/C(=C\C=C\2)N3CCCCC3 -MOL_01_042073,c1cccc(Cl)c1C(O)CCC(=O)N2C=CN(CN2)Cc3cncnn3 -MOL_01_042074,n1ccccc1C(CCO)CCc2c(Cl)c(C)nc(n2)-c3ccccc3 -MOL_01_042075,CS(=O)(=O)Cc(cc1)ccc1CCC(=O)NCC(=O)Nc(c2)ccc(Cl)c2Cl -MOL_01_042076,C1CC1C(=O)Nc(cc2)cc(c23)ccc(c3)-c(c4C)nc(F)nc4 -MOL_01_042077,FC(F)(F)Cc1ccc(cc1)CC(O)c2nccn2CNc(nc3)ccc3C(N)N -MOL_01_042078,c12c(O2)ccc(c1)C(=O)CCC(N)CCc3ccccc3 -MOL_01_042079,n1ccccc1NCC(=O)CCC(=O)c(cc2)nc(c23)cccc3 -MOL_01_042080,n1cnccc1CCC(C[*])Nc(ncc(C)c2)c2CNCCC -MOL_01_042081,n1ncncc1CC(O)C(Cc2c(F)cccc2)NCNN3CCOCN3 -MOL_01_042082,CC1CCN(CC1)CCCNc(cccc2)c2CCc3cc(NN)ccc3 -MOL_01_042083,CC(=O)CCCN1C=CCCC1Cc(n2)occ2Cc(cc3C(F)(F)F)ccc3 -MOL_01_042084,C1CCCCC1C(=O)CC2C=NN(NN2)C(=O)Nc3c(OCC)cccc3 -MOL_01_042085,CS(=O)c(c1)ccc(c12)CC([*]2)NC(=O)CC(=N)c3ccc(Cl)cc3 -MOL_01_042086,C1CCCc(n2)cnc(c12)C(=O)NC(C)Cc3ccc(cc3)CNC -MOL_01_042087,c1nccc(Cl)c1CCC(=N)C2CCN(NC2)C(O)c3cnc(F)nc3 -MOL_01_042088,CC(=O)NC(N)c1ccc(cc1)OC(C)NCNc(c2Cl)ccnc2OCC3CC3 -MOL_01_042089,n1ccccc1-c(ccnc(C)c2)cnn(c23)ncc3 -MOL_01_042090,c1ncccc1CNn(c(=O)c2C)cnc(nccn2)N3C=CCCC3 -MOL_01_042091,c1ncccc1/C(/C=C\2)=N\C=C/C(C(=N)N)C(C)/C=C/2\Cc3ccncc3 -MOL_01_042092,c1cccc(c12)cc(-c3ccccc3)cc2C(=O)NNC(O)c4c(F)cccc4 -MOL_01_042093,c1nc(C)ccc1C(O)CN2/C=C\N=C(\C=C(\N)/N=C/3)/C=C\CCC/C=C2\3 -MOL_01_042094,OC1\C=C\C=N/C=C/C=N\N1Cn2ccn([nH][nH]2)Nc3ccccn3 -MOL_01_042095,CCc1ccc(cc1)Nc(ncc2)cc2Cc3c(F)nnc(n3)N -MOL_01_042096,C=C(N)CCCC(OCCC1)C1(C)Cc2ccc(cc2)-c3cc(Cl)cnc3 -MOL_01_042097,FC(F)(F)c1ccc(cn1)CC(=O)Nc(nn2)ncc2C3=CO3 -MOL_01_042098,c1cccc(F)c1NCCNC(=O)C(CC2)CC(C2=O)Cc3cc(CC)ncc3 -MOL_01_042099,CC(C)(C)OC(=O)N1CCCC1CNC(C)Cc2ccccn2 -MOL_01_042100,CC(N)c1cc(ccc1)-c2ccc(o2)SCc(c3C(O)O)ccc(c3)CC -MOL_01_042101,CCc1c(OC)ccc(c1)NC(=O)CNCNN(CC)c2c(F)cc(F)cc2 -MOL_01_042102,c1ccccc1CN(C=O)c(cc2)ccc2-c3ccc(cn3)N -MOL_01_042103,C1CCCCC1C(N)c2c(cncc2)CC(=N)NSCC(O)Cc3cc(C)ncc3 -MOL_01_042104,CC(C)C(=O)N(C=C1)CC=C1c2c(NC=O)nccn2 -MOL_01_042105,c1ncccc1CCCCCCc(c2N)cnc(c23)cccn3 -MOL_01_042106,O=CNNCc1c(CCC)cnc(c12)nccc2 -MOL_01_042107,CN(C)CCNC(=O)c1cccc(c12)ccc(c2)-c3ccc(cc3)OC -MOL_01_042108,OCc(n1)cnc(CC)c1C(=O)Nc2cccnc2 -MOL_01_042109,CCC(N)CCCCCC1=NC1Cc(sc2)ncnccc2Cc3c(C)nc(nc3)OC -MOL_01_042110,c1nc(Cl)ccc1CCC(=O)C/C/2=C(O)/CCC(c3ccccc3)CC(=O)CNCC\C=C\2 -MOL_01_042111,c1ncccc1OC2(CC=O)C=CC(NC2)Cc3ccncc3 -MOL_01_042112,c1c(Cl)ncc(c1C(=O)O)CC(N)c(nc2)ccc2C=O -MOL_01_042113,CCc1c(Cl)sc(n1)NC(=O)C2CCN(CC2)C(=O)C3CCCN(C3)CN -MOL_01_042114,C1CCC(CCN)[*]CCCn(c2C)c1c(c23)nccc3 -MOL_01_042115,C=C(N1)C=C(N)N(C=12)C=CC(=C2)CCc3cc(Cl)ncc3 -MOL_01_042116,c12c(O2)cccc(C(=O)NC)cc(C3C=C3)c4c1cccc4Cl -MOL_01_042117,c1nc(Cl)ccc1CC(C(=O)CCNC(C)C)CC(=O)Cc2ccc(Cl)cc2 -MOL_01_042118,C1CCC(N)=C1C(CN2)Nc(c23)nccc3 -MOL_01_042119,CCc1c(CN)cnc(c1)CC(C)NCCc2c(O)nc(nc2)CCC -MOL_01_042120,Clc1cccc(Cl)c1CC(=N)CC(CN2)CC=C2Oc3ccc(F)nn3 -MOL_01_042121,c1cc(Cl)ccc1CNC([*])CCCCCC(C)Cc2cc(O)cnc2 -MOL_01_042122,CCOC(=O)c1cc(ccc1)CC(=O)C(C)N(C=O)C(=O)c2ccccc2 -MOL_01_042123,c1ncccc1/C=C/C(=N/[H])c2cccc(c23)C(C)c4c(C3=O)cccc4 -MOL_01_042124,c1nnccc1CNC(=C)c2ccc(cn2)C(CC)Cc3c(Cl)nccc3 -MOL_01_042125,n1ccccc1CC(=N)Nc(ccc2)cc2CCN3C=CN(CC3)c4ccccc4 -MOL_01_042126,c1cccc(F)c1CC(=O)NSc(o2)nnc2Nc(c(c34)C)c(cc3)cc4 -MOL_01_042127,c1cnccc1NCNCCCCNCCc2ncnc(c23)cccc3 -MOL_01_042128,Cc1ccc(cc1)NC(=O)CN(C)C(=O)CCc2ccc(O)n2CCC -MOL_01_042129,C1COCCC1c(c2C(C)=N)ccc(c2)NC(=O)c3ccccc3 -MOL_01_042130,CCCNCCn(c1)ncc1-c2ncn(n2)-c3ccc(Cl)cc3 -MOL_01_042131,n1ccccc1C(O)NNC2CCCc(c23)ccnc3 -MOL_01_042132,s1cccc1NCc(cccc2)c2C(N)NNc3cccc(c34)nc(Cl)cc4 -MOL_01_042133,CCNCc1nc(ncn1)Nc2cc(ncc2)N(OC3)CN=C3C -MOL_01_042134,C=CCNC(C)CC(=O)Nc(cc1)cc(c12)OCC2 -MOL_01_042135,NNC(=O)c1cc(ccn1)Cc(cn2)ccc2C(O)/C=C/c3ccc(F)cc3 -MOL_01_042136,CC(=O)C(C)c1ccc(cc1)NC(=O)CCCC(N)c(c2C=O)cccc2 -MOL_01_042137,CC(=O)ONCC(C)CC1=C(C=CN(C)C1)c(nn2)ccc2C -MOL_01_042138,c1cccc(c12)CCNC2NC(=O)OSc(n3)nc(C)cc3CCC -MOL_01_042139,c1ccccc1CCCNC(=O)C2C=CC(CN2)Nc3ccccc3 -MOL_01_042140,c1ccc(C(F)(C)O)cc1C(=O)NCCCc2ccccc2 -MOL_01_042141,CCc(cc1)c(CN)cccnc(c(c2)N)c1c(c23)ccc(O)c3C -MOL_01_042142,O=CNc(cc1)cc(c1=2)=NC(=O)C2N(C)N -MOL_01_042143,CCc1c(CC)cc(cc1CN)Cc(nnc2)cc2Cc3cccc(c34)cncc4 -MOL_01_042144,Fc1cccc(F)c1C(=O)CC(=N)OCc2ccc(o2)-c3cc(F)ccc3 -MOL_01_042145,C1C=CN(C(=O)N)c(c12)cc(cc2)S(=O)N -MOL_01_042146,CCCNc(sc1)cc1C(=O)CCC(=O)N(C(C)C)Cc2ccccc2 -MOL_01_042147,NC(O)c1cc(ccc1)-c(cc(N)cc2)c2-c3c(ccc(Cl)c3)NCc4ccccc4 -MOL_01_042148,NCc1ccc(cc1)-c(ncc2)cc2CS(=O)=O -MOL_01_042149,c1cc(F)ccc1C(c2ccc(F)cc2)OCNN(CN3)CCN3c4ccccn4 -MOL_01_042150,c1ccccc1C(=O)N\C(\N2)=C\C=C\C=C(O)\N/N=C\NC(/C=23)NN=CC3 -MOL_01_042151,C1NCCN1C(=O)COc(cccc2)c2C(=O)OCC(C)Cc3ccccc3 -MOL_01_042152,n1cncc(SC)c1C(=O)C(C)c(ccc2)cc2C(=O)Cc3ccccc3 -MOL_01_042153,CC(O)c1ccc(cc1)CNC(/C=C/2)=C(\CO)N=C\C=C\Nc(c23)ccnc3 -MOL_01_042154,FC(F)(F)c1nc(ccn1)CC(N)Nc2nccc(c23)cc(cc3)NC(F)F -MOL_01_042155,CCCC(C)N(CC)C(=O)CCc1nnc(C)n1-c(cc2)ccc2CC -MOL_01_042156,NCc1ccc(cc1)Nc2cc(-c3ccncc3)cc(c24)cccc4 -MOL_01_042157,CC(C)N(CC1)CCC1C(O)CC(CC2)CC=C2c(nc3)ccc3CO -MOL_01_042158,n1nc(C)c(C)cc1CCCSc(c2)n(C)c(c23)cccc3 -MOL_01_042159,CC(N)CC(C1)N(C=C1C#N)c(cc2)ccc2Cc3c(C)nccn3 -MOL_01_042160,CC(=O)CC(CN1)CC=C1CCN(CC2)CCC2Oc(ccc3)cc3C(F)(F)N -MOL_01_042161,c1ccccc1-c(nn2)nnc2C(CC)NCC3=C=C3Cc4ccccn4 -MOL_01_042162,CC(=O)Cc1nccc(c12)c(C)cc(c2)C(=N)Cc(c3C)cccc3F -MOL_01_042163,CCCCC(=O)Cc1ccc(nc1)NC(=N)CNc(c2C)nc(C)cn2 -MOL_01_042164,CC(C)CNc(n1)nccc1CCc2c(C)nc(s2)-c3ccccc3 -MOL_01_042165,o1cccc1CNC(O)c2ccc(cn2)N(CC3)CCC3CN -MOL_01_042166,Clc1c(Cl)cnc(c1)NC(=O)CCc2cc(ncc2)Oc3cccnc3 -MOL_01_042167,CC(O)c1ccc(cc1)CC(=O)CCC(=O)C2CCN(CC2)Cc3c(Cl)cc(F)cc3 -MOL_01_042168,CCCC(=N)CC(C)NCc(nc1Cl)cc(Cl)c1CC(=O)C -MOL_01_042169,NCC(CN)c(c1)ccc(c12)CC(C([*]2)N)C(=O)NCc3ccc(F)cc3 -MOL_01_042170,c1ccccc1C(N)Nc(cc2)ccc2-c(nnc3)cc3COCCC4CCCC4 -MOL_01_042171,c1ccccc1C(=O)NC(N=C2)N(C)N(N23)CNON3 -MOL_01_042172,N1=CCC=[*]C1NNNCC(C)Cc(cc2)c(Cl)c(c23)nccc3 -MOL_01_042173,c1cc(F)ccc1CNC(O)CN(CN2)CCC2c(nc3)ccc3CC -MOL_01_042174,c1cnccc1N(N2)N[*]C2C(N)C(=O)c3ccc(CC(F)(F)F)cc3 -MOL_01_042175,CC(=O)c1cc(ncn1)-c2c(Cl)c(Cl)ccc2 -MOL_01_042176,c1ccc(C(F)(F)C)cc1C(=O)CNC(O)CC(C)CCCCc2c(Cl)nccc2 -MOL_01_042177,n1cc(F)ccc1CN(CCCN)CCC2C=CN(CN2)c3cccnc3 -MOL_01_042178,c1cc(CN)ccc1C(=N)c(cc2)cc(c23)oc(N)c3CCc4ccccc4 -MOL_01_042179,c1cccc(c12)cccc2NC(=N)C3CCC(CC3)c(n4)nc(OC)cc4CN -MOL_01_042180,C1COCCC1CC(=O)COc(nccc2)c2C(N)CCCNC -MOL_01_042181,CCC(C)Cc1c(cncc1)N(C=C2)CC=C2CC(C)N -MOL_01_042182,NC(N)c1cc(ccc1)C2=CCC(C2=O)C3=CCC(CC3)Cc4ccccc4 -MOL_01_042183,c1cccc(c12)ccc(c2)NC(=O)C3CCN(NN3)c4c(Cl)ccnc4 -MOL_01_042184,c1cccc(c12)N(N)C(=O)C(CC=C)CN2c3ccccc3 -MOL_01_042185,c1ccc(NCO)cc1C(=O)OCNc(oc2=O)cc(c23)cccc3 -MOL_01_042186,Oc1nccc(Cl)c1CC(=O)N(CC2)CCC2Cc3cccnc3 -MOL_01_042187,c1sccc1C(=O)C(CC=O)c2c(N)c(C)ccc2 -MOL_01_042188,c1ccccc1NC(=N)c2ccc(nc2)CN(C3)CNc(c34)cccc4 -MOL_01_042189,n1nnccc1CC(=O)Nn2cccc2CNCC(CC)Cc3ccc(o3)CC -MOL_01_042190,n1cc(Cl)ccc1CCCCC(C=C23)=NC(=NC2)N3N -MOL_01_042191,CC(C)CCC(C=O)C(=O)c1nc(CCO)cc(c12)cccc2 -MOL_01_042192,c1ncccc1CCC(O)N(C)COCCN(C=C2)N(C2=3)CCNCC3C -MOL_01_042193,c1ccccc1CC(=O)Nc(c(n2)N)ccc2CNc3ccccn3 -MOL_01_042194,ONC(=O)C(C)C(C1)C=CCc(c12)nc(O)cc2 -MOL_01_042195,OCCC/C(C)=C/CCc(cc1)cc(c12)oc(=O)nc2 -MOL_01_042196,n1ccccc1CC(CC(=O)C)C(=O)Cc(c2)ncc(c23)nccc3 -MOL_01_042197,c1nc(F)ccc1C(C)COCNNCCOc2ccc(F)nc2 -MOL_01_042198,c1ccccc1CC2CCN(NC2)c(nc3)ccc3N -MOL_01_042199,CCCC(=O)c1ccc(cc1)NC(=O)C2CCN(CO2)CCc3ccccc3 -MOL_01_042200,c1ncnc(c1C)NC(=O)NCCC(CC)/C(=C2\[H])N=C/C=N\C=C2\C(F)(F)F -MOL_01_042201,C[*]C(=C)CCC(=O)OCc1c(nccc1)Oc(c2C)cnc(F)c2 -MOL_01_042202,c1cc(Cl)nc(c12)CC(=O)Cc3ccnc(n3)CCCCNO2 -MOL_01_042203,c1ccnc(c1F)NC(=N)C(N)Cc2cccnc2 -MOL_01_042204,n1cncn1-c(ncc2)cc2CC(=O)CCCCc3c(C)cc(Cl)nc3 -MOL_01_042205,CC(C)C1N(C)CC(CN1N)c(c2NC=N)ncnc2 -MOL_01_042206,NCC(=C)c1cc(Cl)c(cc1)Nc(cc2)nc(c2O)NC -MOL_01_042207,C#CCNC(=O)CC1[*]C(CC1)Nc(nc2)ncc2-c3ccccn3 -MOL_01_042208,O1CN(C)CCN1Cc(cc2)cc(c23)nccc(cccc3)CN(CC4)CCC4N -MOL_01_042209,C1N[*]N(CC1O)C(=O)NCc2ccc(cn2)NC(=C)OC(C)(C)C -MOL_01_042210,COC(=O)NC(C1)Nc(c12)cc(cc2)NC=O -MOL_01_042211,O=CC1CCN(CC1)Cc2c(ccc(n2)Cl)OCC(C)O -MOL_01_042212,c1cccc(c12)CCC=C2C(=O)CCC(N)c3c(CCCO)cccc3 -MOL_01_042213,C1CC1C(O)Cc2cc(ncn2)Oc(c(n3)F)ccc3C -MOL_01_042214,ONCNCNCc(cc([*])cc1=O)ccnc2c1ccc(c23)n3 -MOL_01_042215,FC(F)(F)c1ccc(nc1)CNc2nccc(N)c2CN -MOL_01_042216,c1cnc(Cl)cc1NCc2cccncn(cc2)-c(c3)ccc(O)c3ON -MOL_01_042217,c1cnc(F)cc1N/C(=C2\CCC)/N=C\N=C(/N=C\C2=O)\C3CCCC3 -MOL_01_042218,CCNC(=O)C1(C)C(CN1)C(=N)COc2ccc(Cl)cc2 -MOL_01_042219,CCCc1c(cccc1)NNc(n2)nncc2NCc3c(OC)cccc3 -MOL_01_042220,FC(F)(F)c1ccc(cn1)NC(=C2)N=NN(N23)N=CC=C3 -MOL_01_042221,c1ccnc(N)c1NCCC(=O)Nc(cn2)ccc2C(C)CCC -MOL_01_042222,O1N=C1NC(C)c2c(F)ccc(n2)N3C=C3 -MOL_01_042223,c1ncccc1CC(O)(CC)NCCC(c2ccccc2)c3ccccc3 -MOL_01_042224,N=C(O)c1cc(ccc1)-c2c(O)ccc(c2)NC(=O)Nc3ccc(cc3)OC -MOL_01_042225,O1OC1c(cc2)ccc2CC3(N)C(N)Cc(c34)cccc4 -MOL_01_042226,CCCCCNC(=C)c(cc1)cc(c12)ncc(c2)N -MOL_01_042227,c1nccc(c1C(=O)N)Nc2cc(ncc2)OCCc3ccc(F)cc3 -MOL_01_042228,c1ccccc1CCCC(=O)c2c(N)cnc(n2)NCc3c(F)cccc3 -MOL_01_042229,n1ccccc1C(C(C[*])C)OCCC(=N)Cc2c(C)ncc(F)c2 -MOL_01_042230,c1ccccc1CC(C(=O)OCC)Nc(oc2=O)cc(c23)cccc3 -MOL_01_042231,CCCCCNONCOCc1cnc(c12)n(C)cnc2 -MOL_01_042232,OC1=CN(C1)NC(CCC=O)C(C)N(O)Cc2c(F)nc(F)cc2 -MOL_01_042233,CC(=O)CC(N)c1ccc(nc1)CCCC(C)c2cc(ccc2)OCC3CC3 -MOL_01_042234,c1ccc(F)cc1NC(=N)C(=N2)CCCC23CC=C(CC3)C(=O)Nc4ccccc4 -MOL_01_042235,CCCc(ncc1)cccnc(N)c1CC2=CC=C(NC2)N3CCNC3 -MOL_01_042236,CCCNCCC(C)C(N)Cc1c(nsn1)-c2c(O)cccc2O -MOL_01_042237,N#Cc1ccc(cc1)CC(=O)CCc(ccn2)cc2C(=O)Nc(cc3)ccc3CN -MOL_01_042238,c1ncccc1CC(=N)c2c(cccc2)CCC(=O)N(N)c3ccccc3 -MOL_01_042239,c1cccc(C)c1Cc2cc(ccn2)-c3cc(ncc3)Nc4c(N)cccc4 -MOL_01_042240,c1cc(N)cc(C)c1CCc2ncnc(c23)cccc3 -MOL_01_042241,FC(F)(F)c1c(C(N)O)ccc(c1)NNCC2=CCC(CC2)Nc3ccccc3 -MOL_01_042242,Cc1cn(C=O)c(c12)cnnc2 -MOL_01_042243,c1cccc(c12)ccc(c2N)C(c3ccc(Cl)cc3)NC(N)Cc4ccccc4 -MOL_01_042244,c1ccc(C(F)(F)F)cc1C(=O)CCC(=C)NCCC(C)N(CC2)CCC2(F)c3cncnc3 -MOL_01_042245,CC(N)C(C)CCCc(nc1C)cc(c12)ccc(c2)CCN -MOL_01_042246,CCCc1c(NC(=O)N)ccc(c1)C(N)N -MOL_01_042247,CC(C)C(=O)CCC1C(NCC1)N(C)CCCc2cc(c23)c(c3)O -MOL_01_042248,c1cccc(Cl)c1CC(=O)CN(C)C(=O)C2CCC(CC2)C(O)c3ccc(Cl)cc3 -MOL_01_042249,CC(C)C(C(C)C)CC(C)(C)c1c(C)nc(N)c(n1)CCC(O)CC2CCCNC2 -MOL_01_042250,n1nc(CO)ncc1C(=O)Nc2c(OCC)cccc2 -MOL_01_042251,c1ccccc1C(=O)CC(=C\c2ccc(C(O)O)nc2)\C(=O)C/C=C/c3ccc(O)cc3 -MOL_01_042252,c1ccccc1Cn(c(=O)c(c=23)=NC2)cccc(cn3)O -MOL_01_042253,n1cnccc1NCC(C)C(CC2)CCC2(CN)Nc3ccccn3 -MOL_01_042254,c1cccc(c12)nc(cc2O)Cc(nc3C)cc(c34)cc(cc4)OC -MOL_01_042255,n1ccncc1Cc2ccc(cc2)N3C=CNCN3Cc4ccncc4 -MOL_01_042256,c1cc(C)ccc1C(=O)N(Cc2ccnnn2)Cc(c3)c(C)cc(c34)cccc4 -MOL_01_042257,CC(N)c1cc(ccc1)NNc(o2)ncc2-c3c(N)cccccccc3 -MOL_01_042258,c1cccc(c1CC)Cc2cc(nc(n2)CNC=O)CNC(O)c3ccncc3 -MOL_01_042259,O1OC1c2c(Cl)cc(nc2Cl)CCNC3CCNNC3 -MOL_01_042260,O1N=C1N(CN2)NCC2C(=O)CCCCNNc(nc3)ccc3CC -MOL_01_042261,NC(=O)c1ccc(cc1)N(CC2)C=CN2CCCOc(nc3)ccc3CCC -MOL_01_042262,CC(C)CN(N)c(c1CCO)cccc1 -MOL_01_042263,C1C\C=C/C(F)=C(\[H])C(\C(CN)OC)=N/c2c1ccc(c23)cccc3 -MOL_01_042264,n1cnc(Cl)cc1Cc(cc2)cc(c2cc(c34)N4)c3Nc(ccc5)cc5CN -MOL_01_042265,c1cc(Cl)ccc1-n(cn2)cc2NCc3ccn(c3)Nc4ccccc4 -MOL_01_042266,c1cncc(c12)ccnc2C(=N)CC3NCN(CN3)Cc4c(Cl)cccc4 -MOL_01_042267,OCCCCCCCC(=O)N(N1)CCCC1Cc2cc(C)c(C)nc2 -MOL_01_042268,C1=CCc(c12)ccc(c2)CC3C(NNCC3)NCc4ccc(cc4)-n5cccc5 -MOL_01_042269,CC(C)NC(=O)c1cc(ccn1)Oc(n2)cccc2CC=N -MOL_01_042270,Cc1c(F)ccc(c1)OC(C(=C)CO)CNCCNCc2ccc(F)c(n2)C -MOL_01_042271,C=C(C)Cc1cc(NC(N)O)cc(c12)ccc(c2)CCc3ccc(cn3)ON -MOL_01_042272,c1c(Cl)cc(Cl)cc1NC(=C)CC(C(O)NCC2)=C2C(=O)Nc3ccccc3 -MOL_01_042273,c1c(Cl)cnc(c1C=O)C(C)C(=O)CNC(=O)CCCCCC -MOL_01_042274,NCN(CN)c1c(O)ccc(c1)Nc2c(ccc(Cl)c3)c3cc(c24)cc(N)cc4C -MOL_01_042275,c1ccccc1CNC(=O)NCC(N)CCCCC2CCN(CN2)c3c(F)cccc3 -MOL_01_042276,NCC1=CCC(CC1)c(n(c23)ccn3)ncc2 -MOL_01_042277,c1cc(N)ccc1C(=O)C(c2c(O)cccc2)C(N)CCc3ccccc3 -MOL_01_042278,C1CC(N)C=CC1c2cc(ccc2)NC(=O)CCCCCNCc3ccccc3 -MOL_01_042279,NC(=O)c1ccc(cn1)Cc2ccc(cc2)OCNCCc3ccccc3 -MOL_01_042280,CCCC(C)c1ncc(cn1)NC(O)N(C2)Cc(c23)cccc3 -MOL_01_042281,C1COOC=C1S(=N)(O)c2ccccn2 -MOL_01_042282,N#Cc1ccc(cc1)Cc(ncc2)cc2CCc3ccc(F)nc3 -MOL_01_042283,c1cccc(c1[*])CC(=O)CC(C)C(=O)C(CC(=O)N)NCCC -MOL_01_042284,FC(F)C(O)c(nc1)ccc1C(=C)OCC(=O)Nc2c(Cl)ncnc2 -MOL_01_042285,CCCCc(nccc1)c1C(=O)NCc2ccccn2 -MOL_01_042286,O=C(O)COCC(=O)Cc1ccc(cc1)Oc2nnnc(c23)cc(Cl)cc3 -MOL_01_042287,c1cccc(OCCN)c1CCc2ncn(n2)Cc(c3)ccc(c34)cccc4 -MOL_01_042288,c1ccc(Cl)cc1C(CCNC(C)O)Cc2ccc(Cl)nc2 -MOL_01_042289,O=C(O)c1cc(c(cc1)NC=O)CNCc2ccccc2 -MOL_01_042290,c1ncccc1C(O)NCC(C)c2c(cccc2)CCc(nnc3)cc3C(C)C -MOL_01_042291,N=c1[nH][nH]c(c12)ccc(c2)NCCCN(CC)CCNc3cccc(c34)cccc4F -MOL_01_042292,[*]C(N)c1cc(ncc1)NC(=S)CCCN2C(=O)/N=N/C=C\C=C\C2=C -MOL_01_042293,C1C=CCC1NC(=O)CC(C#C)C(CCC)c2ccc(cc2)C3=CNCOC3 -MOL_01_042294,c1cnccc1CC(N)C(CO2)CC23CCN(CC3)Cc4ccco4 -MOL_01_042295,C=CCc1c(OC)cc(cn1)S(O)N2CCCCC2 -MOL_01_042296,FC(F)(F)c1cc(ccc1)Oc(cccn2)c2CC(N)Cc3ccc(F)cc3 -MOL_01_042297,C12C(N2)N(CC1)CCc3c(C)c(ccc3)-c(c4CC)cc(CN)cc4 -MOL_01_042298,c1ccccc1OCC(N)CCC(=S)NCc2ccc(cc2)-c3ccccc3 -MOL_01_042299,FC(F)(F)c1ccc(cc1)Cc(nccn2)c2CCCC(O)Cc3ccc(F)nc3 -MOL_01_042300,CC(=O)N(C1)NCC(C12)CCC(=C2)Cc(nc3)ncc3-c4ccccc4 -MOL_01_042301,FC(F)(F)c1cc(ccc1)NC(O)NN(NC2)CC=C2Cc3cc(Cl)ccc3 -MOL_01_042302,O=CNc(c(n1)C)cc(CN)c1C(C)C -MOL_01_042303,ClCCC(CCCl)c1ccc(nn1)NC(=O)Cc2ccc(cc2)OCCN(C)C -MOL_01_042304,c1cncc(c12)nn(n2)C(=O)CCNN(CC)C(O)n(c3)ccc3Cl -MOL_01_042305,OCN(C)CC(C(=O)N)c(cc1)cc(c12)NCC2 -MOL_01_042306,CC(C)CC(O)NCc1ccc(nc1)Nc(ccc2)cc2Cc3c(F)nccc3 -MOL_01_042307,c1ncccc1CCC(=N)N(OC2)CCC2C(C)c3c(F)cccc3 -MOL_01_042308,c1nccc(C(C)N)c1C(=N)CCC(=O)CCC(=O)Cc2c(C)cc(C)cc2 -MOL_01_042309,c1cc(C)ccc1C(=O)C2=CCN(C=C2)C(=O)CNc3c(Cl)cccc3 -MOL_01_042310,c1ncccc1C(=C)CC2CCN(CC2)C(O)c(cc3)ccc3C(C)(C)N -MOL_01_042311,c1cc(F)ccc1C(=N)CC(=C2)ONN(C23)/C=C/O/C=N/C=C/C=C\C=C\3 -MOL_01_042312,CC(=O)NCC(CC=O)CNc(cc1F)cc(NC2)c1N(C23)CCC3 -MOL_01_042313,CC(C)(N)CC(=O)NC(CC(C)C)c1nnc(o1)NCc2ccccc2 -MOL_01_042314,COc(cc1)ccc1C(O)(O)NCc(cc2)nc(c23)CCC3 -MOL_01_042315,c1ccnc(Cl)c1NC(=N)Nc(cccn2)c2Cc(cc3C(F)(F)F)ccc3 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-MOL_01_042334,c1cc(F)ccc1NC(=O)CCCC(=NC2=O)C=C(C2=3)C=C(C3)CCO -MOL_01_042335,CCC(=O)CCCCNCc1c(CN)ccncnc(cc1)Cc2c(F)cncc2 -MOL_01_042336,CC(C)CCN(C(C)CCO)CCCCc1cncn1-c2ccc(Cl)nc2 -MOL_01_042337,Cc1c(O)ccc(c1)CCNC(=O)C(C)c2cc(ccn2)Oc3ccccn3 -MOL_01_042338,CC(C)C(=O)Cc(ncn1)cc1C(=O)Cc2c(OCC)cccc2 -MOL_01_042339,c1ocnc(c12)ncc2CC(=C)Cc3ccc(cc3)CC4CCOCC4 -MOL_01_042340,N#Cc1cc(ccc1)C(=O)NNCCNN(NN2)CC=C2c3c(Cl)c(Cl)ccc3 -MOL_01_042341,n1ccccc1N(CC(=O)C)CC(=O)Nc(nc2)ccc2Cl -MOL_01_042342,O\C=C\c1ccc(cc1)CC(=O)C2=CCC(=CC2)c3ccccn3 -MOL_01_042343,c12c(c1)ccc2CCN3COCCC3Cc4nnc(o4)C -MOL_01_042344,n1ccccc1C(O)Cc(n2)scc2-c3ccccc3 -MOL_01_042345,c1cc(F)cc(F)c1CC(CC)CNCOc(c(cc2)OC)cc2C(O)NN3CC3 -MOL_01_042346,c1ncncc1CC(C)CCc2c(C)nc(N)cc2C3CCCC3 -MOL_01_042347,CCCCc1c(N)c(ncn1)C2CC(CC2)Oc(cc3)ccc3CN -MOL_01_042348,O=Cc1cc(CC(C)C)c(O)c(c1)NC(C)C -MOL_01_042349,C1CCCC1N(C)C(=O)CCc2cnn(c2)-c(c3)ccc(c34)OCCO4 -MOL_01_042350,c1cccc(c12)Nc3c(C=C2O)ncnc3 -MOL_01_042351,NCCCCc(c1)ccc(c12)nc(C)nc2C -MOL_01_042352,c1nccc(c1C#N)CN(CC2)CC=C2C(O)Cc3ccc(CC(F)F)cc3 -MOL_01_042353,n1cccc(S(=O)C)c1CCC(=O)c2ccc(cc2)NCCC(F)(F)F -MOL_01_042354,FC(F)(F)c1c(Cl)cnc(n1)-n2nc(N)cc2C=O -MOL_01_042355,[*]C(=O)c1c(C)nc(cc1)Cc2c(ccc(Cl)c3)c3cc(c24)ccc(c4)CN -MOL_01_042356,c1cccc(c12)cccc2S(=O)(N)C(Cc3ccccc3)CNCCc4ccccc4 -MOL_01_042357,N\1=C\C=C/C=C(/CN(C(C)C)NC)\C=C/1\C(=C)NCc2ccc(cc2)CNc3cccnc3 -MOL_01_042358,c1c(Cl)nc(cc1Cl)NC(=N)CC(COC)C(=O)CC/C/2=N/N=C\C=C/C=C\2 -MOL_01_042359,CNCCC(CNCC1)=C1C(O)c2c(cccc3)c3cc(c24)cc(Cl)c(Cl)c4 -MOL_01_042360,C1CC=CCC1(N)CCn(c(c2)N)c(c23)cccc3 -MOL_01_042361,CCC(N)C(=N)CN(C(=O)O)CNCc1ccc(nc1)Nc2ccccc2 -MOL_01_042362,c1cccc(C(F)(F)F)c1C(=N)CC(C)CCNNCc2ccc(Cl)nc2 -MOL_01_042363,n1ccncc1CNC(N)Cc2cc(-c3ccccc3)cc(c24)cc(CN)cc4 -MOL_01_042364,[*]OCCCC(\C=C\1)C(=O)\N=C\C=N\O\N=C\N=C/1\c2cccnc2 -MOL_01_042365,c1cncc(c12)ccc(c2)Cc3c(Cl)cc(cc3)NS(=O)(N)c(cc4N)ccc4 -MOL_01_042366,CCC(O)(NC)c1c(cccc1)C2CCN(CO)CC2 -MOL_01_042367,O=CCCCCCCc1ccnc(c12)cc(Cl)cn2 -MOL_01_042368,FC(F)C(=O)C(N)c1cc(ccn1)-c(cc2)ccc2CCCN -MOL_01_042369,c1cccc(c12)ON(CO2)CNCCCNC(C(C3)O)C(=O)CC34CC=CC4 -MOL_01_042370,NCCCCCN1CCN(C=N1)c(c2C)cnnc2N -MOL_01_042371,CCCC(CCC)c1c(C(C)C)cc(C(C)N)cc1N(O)O -MOL_01_042372,COc(n1)cc(OC)cc1CC(=O)CC(=O)Oc2cccc(c23)cccc3 -MOL_01_042373,CC(=O)c1cc(ccc1)-c(cc2)ccc2CCNC3C=CN(CN3)Cc4ccccc4 -MOL_01_042374,n1ccccc1C(OC(=O)N)CNC(CC)CCCc(cc2C(F)(F)F)cnc2 -MOL_01_042375,FC(F)(F)C(C1)=CC(C(C)O)C(C=12)=CN=C2O -MOL_01_042376,c1ncccc1Cc2cnn(n2)-c(cccc3)c3Cc4cc(F)c(F)c(F)c4 -MOL_01_042377,FC(F)(F)c1ccc(nn1)-n(c2)ccc2NC3=CC=CCC3 -MOL_01_042378,C1[*]Cc(c12)ccnc2S(=O)CCCc(c3C(C)C)cccc3 -MOL_01_042379,c1cccc(c12)CN(C2C)N(C(=O)OC)Cc3ccc(cc3)OC=O -MOL_01_042380,N/1=C\NNCNC\C=C(/C=N/c(c12)cncc2)\C(CCCC)/C3=C\CNNCC\C=C3\CC -MOL_01_042381,CNC(=O)c1cc(cnn1)Cc(cc2)ccc2C(O)/C=C/c3c(Cl)c(Cl)ccc3 -MOL_01_042382,CC(=O)NC(C)CCc1ccc(cc1)Oc(cn2)ccc2CC(C)C -MOL_01_042383,c1cccc(O)c1NC(=N)c2cc(ccc2)C(O)CNc3ccccc3 -MOL_01_042384,n1ccccc1N(CC)CCCCCCOc(n2)cncc2N -MOL_01_042385,c1ccccc1NCc2cc(oc2)NC3=CN(CC3)c4cc(Cl)ccc4 -MOL_01_042386,o1cccc1C(=O)OC2(C)C(=O)/C=C\C=C(\CCCC)O/C=C\C2=O -MOL_01_042387,c1cncc(F)c1CNC(NO)c2c(cc(C)cc2)Oc3cc(F)ccc3 -MOL_01_042388,c1cccc(c12)cnc(c2)CC(=O)CCC(=O)c3ccccc3 -MOL_01_042389,CCCCC(=O)c1c(cncc1)Oc(cc2)ccc2Nc3ccccn3 -MOL_01_042390,FC(F)(F)C(C)C(=N)Nc(cc1)cc(c12)n(C)ncc2=N -MOL_01_042391,NC(=O)Oc(cc1)ccc1-c2cc(ncc2)Nc(ncc3)cc3CC(C)c4ccncc4 -MOL_01_042392,C#CCC(=O)Cc(cn1)ccc1C(=O)CCC(=O)CC2=CNCCNC2 -MOL_01_042393,n1cncc(c1C(C)C)NCNC(=C)CC(C(=O)C)Cc2ccccc2 -MOL_01_042394,c1cccc(Cl)c1CC(=O)c2cc(ccc2)C(=N)N(CC3C)CN(C)C3 -MOL_01_042395,c1ncccc1CC(c2cccnc2)C(N)c3c(N)nc(C)cc3 -MOL_01_042396,O=CCN(C(C)C)C(=O)C(CN1)CC=C1c2ccc(cc2)OC -MOL_01_042397,[*]c1nnc(s1)C(=O)C([*])CCC([*])n2cccc2CC -MOL_01_042398,Cc(c1)ccc(c1c23)oc(=N)n3ccn2 -MOL_01_042399,CCCCC(=N)CCC(O)c1nc(CC)cc(n1)NC -MOL_01_042400,NNC(=O)Cc1cc(Cl)c(cc1)N(CC2)C=CC2CCN -MOL_01_042401,c1nc(Cl)ccc1OCC(=O)CCC(=O)C2CNC(N=N2)C(=O)CCC -MOL_01_042402,CCC(=O)C(O)C(C)Cc1ccc(nc1)OCc2cncnc2 -MOL_01_042403,COC(=O)c1cc(Cl)c(cc1)CC(N)CNC(O)c(cc2C(F)(F)F)ccc2 -MOL_01_042404,FC(F)(F)c1c(C(C)O)ccc(c1)CC(=O)C(C)(C)CCc2ccc(nc2)CC(=O)C -MOL_01_042405,CC(C)COC(=N)Cc1ccc(nc1)CC(=S)NCc2c(C)ccc(n2)Cl -MOL_01_042406,CC1[*]NCC1C(=C)Cc(nc2)cc(Cl)c2CN=O -MOL_01_042407,n1ccccc1-n(nn2)cc2C(=O)CCCCCCc3ccccc3 -MOL_01_042408,C1NO[*]CC1c(ncn2)cc2Cc3ccc(N)nc3 -MOL_01_042409,CC(=O)Cc1c(cccc1)NC(=O)NC(N)NCC(=O)c2ccccc2 -MOL_01_042410,c1cccn1CCOc(cncc2)ccnc(c23)nc(cn3)OCCN4CCCC4 -MOL_01_042411,Cc1cc(cnc1)OCc(n2)cnc(c23)nccc3 -MOL_01_042412,NCCc(nc1O)cc(c12)cccn2 -MOL_01_042413,Fc1ccc(O)ccc(N2CC2)cc(F)c1C3CCCCCNNN3 -MOL_01_042414,c1ccccc1CC(NC(N)O)CC(=O)c2cc(ccc2)-c3c(F)cccc3 -MOL_01_042415,CCC(=O)NNc(cncn1)c1-c2ccccc2 -MOL_01_042416,COc(cc1)ccc1CCCCc2cc(nc(Cl)c2)C3CCONC3 -MOL_01_042417,n1ccccc1CC(C=C)CC(=O)c2c(cccc2)/C=N/c3ccccc3 -MOL_01_042418,CC(F)CCC(O)(CCCC)CNCCNn(cc1)c(c12)cccc2C -MOL_01_042419,NC(=O)/C=1/C=C\CCCN(C1\2)/C=NC(=N/C=C/NC2)\NC3CCCC3 -MOL_01_042420,N=C(N)CCCC1=CCC(NC1)Cc2ccccc2 -MOL_01_042421,NC(=O)c1ccccc(cnnc1)NCc(c2C(F)(F)F)cncc2 -MOL_01_042422,CC(O)c1ccc(nc1)Cc2c(ccc(C)c2)-n3cnnc3 -MOL_01_042423,c1ccccc1CC(=N)NNCc(cc2)ccc2Cc(nc3)ccc3C(C)O -MOL_01_042424,OCCC(C1=N)C(CCN1)Nc(c2)ncc(F)c2F -MOL_01_042425,[*]S(=C)c(c1)ccc(F)c1C(=N)Cc2cc(F)c(F)nc2 -MOL_01_042426,C1CC=CC=C1CCC(O)Nc2cn(cn2)Nc3cccc(c34)cncc4 -MOL_01_042427,OC(O)c1c(C)ncnc1C2=CCCC=CO2 -MOL_01_042428,c1cc(Cl)ccc1CC(O)CC(CNC)C(=O)Cc2ccc(cc2)C3=C(O)CONC3 -MOL_01_042429,c1ccccc1NC(=O)C(CC2)CC=C2c3cnncn3 -MOL_01_042430,CCc1c(CN)cnc(c1)CCC(C2)N/C=C/C=C\C=C\CC2=O -MOL_01_042431,Cc1c(N)cnc2ncc(c3c12)cccc3 -MOL_01_042432,c1cnccc1CCc2ccc(cc2)N(N)c(o3)ncc3-c4ccccc4 -MOL_01_042433,FNCOC(=O)C(=C1C)CC(C12N)CCC/N=C/C(O)=C\N=C\CCC2 -MOL_01_042434,CC(O)(O)CCC(N)(CO)CCc1ccc(nc1)Oc(cc2)ccc2CCCC -MOL_01_042435,C1CN(C)CCC1CC(N(C2=3)C=C(CC)C(C)=C2)=CN(C3)N4NCOCN4 -MOL_01_042436,CC(=O)NCCC(=O)N(N1)CNCC1C(CC2)CCC2c3cc(Cl)ccc3 -MOL_01_042437,c1nc(O)ccc1C(=N\[H])\C=N\c(cc2)ccc2CS(=C)c(cn3)ncc3C -MOL_01_042438,CC(C)(C)n(cc1)c(c1C)NCC(O)CNc2c(F)cc(F)cc2 -MOL_01_042439,n1ccccc1NC(C(=C)CN)CC(=O)CNCc2ccccc2 -MOL_01_042440,c1ccnc(N)c1CC(=O)CCNCC(=N)Nc2c(N)cccc2 -MOL_01_042441,NCC(=O)c(nc1)cc(C)cc(n(c12)ccnc2)Cc3ccccc3 -MOL_01_042442,Nc(n1)cccc1C(C(C)C)CC2=CCC(=C2)C3=NO3 -MOL_01_042443,c1cccc(c12)c(N(C=O)C(=O)C=N)ccc2CC -MOL_01_042444,Nc1c(F)c(F)ccc1NC(=O)C(C)CCN2CCCC2 -MOL_01_042445,c1ccccc1C(NN)C(=C2)CCc(c23)cnnc3 -MOL_01_042446,OCC1CCN(CN1)Nc(ccc(F)c2)c2-c3cnc(F)nc3 -MOL_01_042447,C1CCCC([*]12)CC(C2N)CC(=O)OC(CCC3)CC3CC(C)C -MOL_01_042448,CC(C)CCn(cn1)cc1CCC(c2ccncn2)c3ccccc3 -MOL_01_042449,c1cccc(F)c1CC(C)C(=O)CCNC(O)c(cn2)ccc2C(C)(C)C -MOL_01_042450,N1CCCC1c(nc2C#N)nc(n2)N(c3ncccn3)c4ccccc4 -MOL_01_042451,n1cncnc1CC(CC)N2CCN(NC2)N(C)Cc3c(F)ccc(F)c3 -MOL_01_042452,c1cccc(c12)ccc(c2)NC(=N)c3c(N)nc(nc3)-c4ccncn4 -MOL_01_042453,CCC(O)Cc(n1)ccc(c12)oc(=O)cc2 -MOL_01_042454,CCC(=O)NOc(cc1)ccc1C(=C2C)C(C)CC(C)N2 -MOL_01_042455,COC(O)c(c1)onc(c12)ccc2 -MOL_01_042456,CC(N)NCNC(=C)c1c(C)cccc(nccc1)NC(=N)Cc2ccccc2 -MOL_01_042457,CCCCNC(=N)CC(CC1)CC=C1CNc(nn2)n(c23)cccn3 -MOL_01_042458,c1nc(N)ccc1-c2c(F)cc(cc2)-c3c(nccc3)Nc4ccccc4 -MOL_01_042459,Cc1c(N)cc(N)c(c1)NC(CNC)CNCc2c(Cl)nccc2 -MOL_01_042460,c1ccccc1OCCCCC(CO2)OC2(c3ccccc3)c4cccnc4 -MOL_01_042461,CC(C)c1cc(co1)-c2ccc(cc2)NCCCCN(C)c3cccnc3 -MOL_01_042462,C=C(N)Cc1cncc(n1)NC(=C)c2ccc(cc2)C(C(C)(C)C)CC -MOL_01_042463,c1ccc(O)c(CCC)c1C(C#N)CCCNCNc2cnc(cn2)O -MOL_01_042464,C1=COC=CN1CC(C)c(c2)cnc(c23)ncccc4n(c3)cccc4 -MOL_01_042465,c1ccccccccc1C(N)C2CCN(NC2)Nc3ccc(F)cc3 -MOL_01_042466,[*]C([*])c1ccc(nc1)C(=O)Cc2ccn(c2)Nc3cc(Cl)ccc3 -MOL_01_042467,CCCCC(CN)NCCCc1c(F)cc(cc1)C(C2)CCC(=O)C2(C)C -MOL_01_042468,FC(F)(F)Cc(nc1)ccc1CNc2cc(ncc2)NCCC3C=CCCC3 -MOL_01_042469,c1cccn1NCC(=O)CC(CC)C(=N)c2ccc(cn2)ONCCC 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-MOL_01_042749,c1nnccc1C(=N)CCCc2cnn(c2)-c3ccc(F)cc3 -MOL_01_042750,NCc1c(C)cc(c12)cn(N)cc2 -MOL_01_042751,CCc(cn1)ccc1C(CNC)NCCCCNCN -MOL_01_042752,c1cccc(F)c1NC(=O)CCCCOCc2cc(O)cc(Cl)c2 -MOL_01_042753,N1CONC(N(C)[*]1(=O)O)Nc2ccccn2 -MOL_01_042754,Fc1c(F)c(F)c(F)c(F)c1CNC(S)NCCc2ccc(cc2)S(=O)C -MOL_01_042755,c1ccccc1C(C)C(=O)N\N=C(N)\c2nnc(o2)C(C)O -MOL_01_042756,OC(O)c1ccc(cc1)CCC(C)COCCOc(cc2)ccc2C(N)N -MOL_01_042757,N1CC=CCC1NC(=O)N2CCN(NC2)C(C)CCc3cccnn3 -MOL_01_042758,CCC(=C)C(C(=O)NC)c1ccc(s1)CCC -MOL_01_042759,c1ncccc1CC(=N)c2cc(ccc2)CCC(N)CCCc3ccccn3 -MOL_01_042760,C1NCNCC1NCCC/N=C\2/C=C/C=C\C=C\CCc(c23)cccc3 -MOL_01_042761,C=NCCC(=O)C(C(=O)OCC)C1CCN(C1)N(O)CCc2ccccc2 -MOL_01_042762,C=C(O)CCC(N)C(CCC)CCNCc(c1C(F)(F)C)cncc1 -MOL_01_042763,CC(N)c1cc(ccc1)CC(=O)CSc(o2)nnc2CCc3ccc(cc3)OC -MOL_01_042764,CCOC(O)c1ccc(cc1)CC(=O)c2ccc(cc2)CN3CCCCC3 -MOL_01_042765,n1nccnc1COC(C)NNNCCCc2c(cccc2)C3=CCOC=C3 -MOL_01_042766,C1CC1c2ccc(nc2)N3CN(C3)Nc4ccccn4 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-MOL_01_042934,c1cncc(F)c1C(=N)CCC(=O)CNC(=O)Cc2ccccc2 -MOL_01_042935,FC(F)(F)c1ccc(cc1)CCc2c(CN)cc(cc2)CCNc3cccnc3 -MOL_01_042936,OCCCCNCC(CC)NCNc(c1CC)cccn1 -MOL_01_042937,C\1=[*]\[*]N(C(=O)C)/C=C\C=C\C=C/1N(CCN2)C2NC3CCCCC3 -MOL_01_042938,c1cc(Cl)c(Cl)cc1CC(=O)CNCCCc2ccc(cc2)CS(=C)C -MOL_01_042939,n1cc(N)ccc1C(=C)CNc2ccccc2 -MOL_01_042940,n1cccnc1CC2(CCC(S(=O)=O)CC2)c3ccccc3 -MOL_01_042941,C=C1/C=C/C(=O)OCC(N)C(Cc2ccco2)\N=C/C=C\C=C/C=C/C=C/C=C\1 -MOL_01_042942,NC(=O)NC(=[*])Nc(cc1)ccc1CC(=O)CNc(cc2)ccc2CC -MOL_01_042943,CCC(CN)NCCC(=O)C(N)c1ccc(C)cc1 -MOL_01_042944,[*]c1c(O)ccoccc(c1)-c2c(O)cccc2 -MOL_01_042945,Nc(n1)n(C=O)cc1N2C=CC=CC2 -MOL_01_042946,c1ncccc1CC(=N)c2cc(F)ccc(C)ccccc(CN)ccc2 -MOL_01_042947,c1ccc(F)cc1C(=C)N([*])NCCCc2cnc(F)cn2 -MOL_01_042948,N=CC(N)CC(=N)Nc(cc1)nc(Cl)c1Cl -MOL_01_042949,NC1CCNCC(CCC(=[*])[*]1[*])NCCc(cc2)ccc2C(=O)C -MOL_01_042950,c1ccccc1-n(n2)ncc2C(N)CCCCNCc3ccncc3 -MOL_01_042951,CC(C)(C)N(C=O)CC(N)c1ccc(cc1)OC 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-MOL_01_042991,C=C(O)c1cc(oc1)-c(cc2)ccc2CCC=N -MOL_01_042992,c1cc(F)ccc1CCN(CCCCC)C2N=C2Cn3cnnc3 -MOL_01_042993,CNC(=O)C/C1=C(OC)/C=C/C(=C\C=C\C1)OCCC(C)c2ccccc2 -MOL_01_042994,c1ccnc(c1=2)=NC(=O)C(=O)C2 -MOL_01_042995,n1cnncc1Cc2ccc(nc2)Nc3ccccc3 -MOL_01_042996,FC(F)(F)c1ccc(nn1)CCNC(O)c2c(Cl)cccc2 -MOL_01_042997,N=CCCc1nnc(n1CC)C/C/2=C/N=C\N=C/C=C\2 -MOL_01_042998,FC(F)(F)c1ccc(nc1)CCCNCNC(N)Nc2ccc(F)cc2 -MOL_01_042999,N=CNNCCc1cccc(c12)cc(Cl)cc2 -MOL_01_043000,N=CCCC(=O)C(C)Oc1c(F)nccc1 -MOL_01_043001,CCCCC(O)N(C)CN(C(C)(C)N)CC(O)Nc1c(Cl)cccc1 -MOL_01_043002,CCNCC(=O)c1cccc(n1)CC(C)CC2CCNC2 -MOL_01_043003,O=C(O)c1ccc(cn1)CC(=C)NNc2ncccn2 -MOL_01_043004,CC(C)(N)c1ccc(cc1)C(N)NCc(o2)ccc2CCC=C -MOL_01_043005,CC(C)(C)Cc(c1)cnc(O)c1C(CC)CCCNC -MOL_01_043006,C1CCCCN1C(=S)CCCC(N)COCN(C=O)C(=O)c2ccccc2 -MOL_01_043007,c1ccccc1C(=O)Cc2cc(ccc2)Cc(c3C(O)O)ccc(c3)ON -MOL_01_043008,C1CNC[*]C1NCC(=N)CCC(=N)c2cccccnccc2 -MOL_01_043009,FC(F)c1ccc(cn1)Oc(cccc2)ccccc2N=O 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-MOL_01_043050,CCCC(CC1)CCC1C(O)OC(CC2)CC=C2c3ccncc3 -MOL_01_043051,O1N=C1c2ccc(cc2)NC(O)c3c(cccc4)c4c(C)c(c35)cccc5 -MOL_01_043052,NCNCCC(O)c1cc(Cl)c(O)cc1 -MOL_01_043053,CC(=O)Nc1ccc(cc1)NC(=O)C2=C(CNC2)C(=O)Nc3ccc(F)cc3 -MOL_01_043054,N1=CN(C)C=CN1C(=O)N\C=C\c2ccc(Cl)nc2 -MOL_01_043055,NOC(=O)c1c(Cl)cc(cn1)NC=O -MOL_01_043056,c1ccccc1ONCCCNCc2cccc(c23)c(CN)ccc3 -MOL_01_043057,c1cccc(C[*]C)c1C(C(C)C)CC(=N)N -MOL_01_043058,c1cccc(Cl)c1CCNC(N)CC/C2=C/C=C(F)/C=C\C=C\C=C\C=C\C2=N -MOL_01_043059,N1/C=C/C=C\C=C\CN(CO)N1C(=O)CNCNCCc2ccccc2 -MOL_01_043060,n1ncccc1C(=C)Nc2ccc(cc2)NC(N)c3ccc(CN)cc3 -MOL_01_043061,FC(F)(F)c1cnc(cn1)Cc(n2)cnc(c23)cccc3 -MOL_01_043062,n1ccccc1NCCCCCN(CN)CCc2cnccn2 -MOL_01_043063,O=CCCc1nnc(n1CN)COc2ccccc2 -MOL_01_043064,NCC(=C)Cc(c1C(C)=N)nccc1 -MOL_01_043065,CC(N)C(O)NNCCc1cc(C)c(Cl)cc1 -MOL_01_043066,C1CCCCC1(O)C(=N)c2ccc(Cl)cc2 -MOL_01_043067,n1ccccc1CC(=N)Nc2ccc(cc2)S(=O)=C -MOL_01_043068,CCc1ccc(cc1)CC2=NN2C(C3)C3N -MOL_01_043069,C1NCNCC1C(=O)c2c(CC=N)cccc2 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-MOL_01_043150,c1ccccc1C(O)NCCCc2ccccn2 -MOL_01_043151,CC(O)NCC(=C)C(CC(=C)O)CC(=C)CCc1ccccc1 -MOL_01_043152,c1nc(F)ccc1N(CC)CNCNCNO -MOL_01_043153,NC(O)NCN(C)Nc1cc(ncn1)OCCC -MOL_01_043154,C1NCCC1C(=N)CCC(=O)c2ccccn2 -MOL_01_043155,C1CCCCC1C(=N)CNNc(ccnn2)c2CCNC=N -MOL_01_043156,CC(N)C(CN1)CC=C1Nc(cc2C)ccc2 -MOL_01_043157,OC(O)NC(C)c1cccnc1 -MOL_01_043158,c1ccccc1CCCC(=O)C(C)CC(=O)CCCc2cccnc2 -MOL_01_043159,CNc(cc1)ccc1CNC(C=O)N/C=C/Nc2ccncc2 -MOL_01_043160,FC(F)(F)c1ccc(cn1)CCCCC(C)CCCN(CN)CN -MOL_01_043161,NOC(=O)\C=C(C)\C(C(N)N)C(=O)C(C(F)(F)F)CCC -MOL_01_043162,CNNCC(=O)CCc1ccc(F)nc1 -MOL_01_043163,CCNc1nc(ncn1)N2CN=CCC2N(C)C -MOL_01_043164,N=CCNc(o1)cnc1COc(cc2)ccc2CC -MOL_01_043165,NC(=O)Cc1ccc(S(=O)=O)nc1 -MOL_01_043166,n1cccnc1CCC(=C)NC(CC)CCCCc2ccc(F)nn2 -MOL_01_043167,N1CC(CO)CCC1C(=N)Nc2ccccc2 -MOL_01_043168,o1cnnc1NCSC(=C)NCc2ccccn2 -MOL_01_043169,CCCC(=O)/C=N/c(cc1)cc(c12)cncc2 -MOL_01_043170,NCNNC(N)NCCCCCc1cnn(n1)-c(cc2)ccc2C(F)F -MOL_01_043171,c1ncccc1CCN(N)C2C=NCCC2 -MOL_01_043172,CC(C)(C)OC(=O)N1CC(N2)N(C=N)CC12 -MOL_01_043173,c1cncc(Cl)c1C(=N)CCc2ccccn2 -MOL_01_043174,CCOC(=O)C1=CN(N=CC1)CCCC2=CCCCC2 -MOL_01_043175,C1CCCC(/C1=2)CCOc3cccc(n3)OCN/C2 -MOL_01_043176,C1NC(CO)=NC=C1/C=N/c2ccc(Cl)nc2 -MOL_01_043177,OCc1ccc(nc1)OCNN(C)C -MOL_01_043178,CC(C)c1c(snc1)Cc(cc2)ccc2CC -MOL_01_043179,O=CNC1=CC(NC1)C(CC2)CCC2C -MOL_01_043180,O=CCCCC(=N)c1cc(F)ccc1 -MOL_01_043181,C=C(O)CCC(N)Nc(cc1)ccc1CC -MOL_01_043182,C=C(O)/C=C/NCNc(c1C)nccc1 -MOL_01_043183,c1ccccc1CN(CN)NC(=O)NCC(F)c2ccccc2 -MOL_01_043184,CC(C)(N)NC(=C)/C=N/Cc1ccc(Cl)nc1 -MOL_01_043185,O=CCNC(=O)/C=C/c1c(CC)cccc1 -MOL_01_043186,CCCNC(=O)NCC(O)NCCc1ccc(F)nc1 -MOL_01_043187,c1ccccc1[*]CC(N)CNNCc(cc2)ccc2Cc3ccccc3 -MOL_01_043188,O=CC/C1=C/C=C(\C)C(=O)C(\C)=C/C=C1\C2CCCCN2 -MOL_01_043189,C[*]N(O)c(ccc1)cc1Cc2cc(ccc2)ONCCC -MOL_01_043190,O=CCC1CCC(C(=O)OC)C=C1CN2CCCC2 -MOL_01_043191,c1cnccc1CC(c2ccccc2)SCCN3C=NC=CC3 -MOL_01_043192,CCCCCCC(O)Cc(ncc1)cc1CCc2ccccn2 -MOL_01_043193,OC(O)c1cc(ccc1)NCc2ccno2 -MOL_01_043194,c1ncccc1COCNC(=C)CC/C/2=C/CCC(CN)C(=O)/C=C\C=C\2 -MOL_01_043195,O=CCC(CCS)C(=N)N1CCC(C1=2)N2 -MOL_01_043196,CC(N)C(=O)CCCc1cccc(n1)OCN -MOL_01_043197,c1ccccc1CCC(=N)CCn2nnccccccc2=O -MOL_01_043198,[*]N(C)CNCCS(=O)(C)c(cc1)ccc1NC(=C)N -MOL_01_043199,CCCC(=O)C/C(CC1(C)C)=N\N(N)NC=C=C(C)CNC(/N=N\1)N(C)C -MOL_01_043200,CCCc1c(CNCO)ccnc1 -MOL_01_043201,CCCNC(N)C(O)c1cc(Cl)ccn1 -MOL_01_043202,c1cccc(c1C(C)O)Nc(ccc2)cc2CO -MOL_01_043203,C1CC1C(C)(CC=O)c2coc(n2)C -MOL_01_043204,c1cnc(C(N)CO)cc1CCc2ccccn2 -MOL_01_043205,CNC(=O)Cc(cc1)ccc1C(F)(C)O -MOL_01_043206,CNC(=O)C(C)CCc1cnc(nc1)OC2=CCCCC2 -MOL_01_043207,N1=CN(C=O)CCC1Cc2ccccn2 -MOL_01_043208,ONC(=O)c1cnc(cn1)CCCCCC -MOL_01_043209,OCOCC(=O)NCCCc1ccccc1 -MOL_01_043210,n1cc(C(=O)O)ccccnc(c12)cccc2 -MOL_01_043211,CC(N)c1cc(ccc1)C(N)Nc2ccccc2 -MOL_01_043212,C1CC[*]C1C(=C)NC(C)C(=O)CCC(C)CN -MOL_01_043213,C1CCC(=C1C=O)NNC(O)c2cc(CN)ccc2 -MOL_01_043214,C1CCCCCN1C(=N)SCC(O)Cc2ccccc2 -MOL_01_043215,C/C(O)=C/C(N)C1(CON1)C2CCC2 -MOL_01_043216,c1nc(F)ccc1S(c2ccccn2)c3cccnc3 -MOL_01_043217,CCNC(=O)N(CN=O)c1c(N)cccc1 -MOL_01_043218,c1ccccc1C(=O)NN2COCCC2C -MOL_01_043219,O=CNc(cc1)ccc1CCc2cnc(C)cn2 -MOL_01_043220,O=CNc(c1)cnc(c1F)OC -MOL_01_043221,COC(=O)N(C=O)Cc(c1)c(N)cc(c12)cccc2 -MOL_01_043222,O=C(O)NCCCNCc1cc(C)ncc1 -MOL_01_043223,NCc1csc(n1)CC(O)Nc2ccccc2 -MOL_01_043224,O=Cc1ccc(cc1)CC(=C)CCOc2ncccn2 -MOL_01_043225,NCC(O)CCc1ccc(F)cc1 -MOL_01_043226,C=NCc(c1C(C)O)ccc(c1)C(C)O -MOL_01_043227,O=CCC1=CC=C(CC1)Nc2cc(N)ccc2 -MOL_01_043228,N#Cc1ccc(cc1)Cc2cc(CNO)ccc2 -MOL_01_043229,CC(N)CC(=O)Cc1c(Cl)cncn1 -MOL_01_043230,CC(F)(F)c1cnnc(n1)CCONCCCl -MOL_01_043231,C1CCC(F)[*]C1NC(=O)CCC(=O)CCC(O)C2CCCCC2 -MOL_01_043232,[*][*]1C(=O)CN\C=C(\C)C\C=C/C=C(\C)/C=C/C1NN -MOL_01_043233,NCCNCN(CC)Cc1ccc(F)cc1 -MOL_01_043234,CCCC(O)CC(N)c1ccncc1 -MOL_01_043235,NC(N)Nn(cc1)c(c12)cccc2 -MOL_01_043236,c1ncncc1CC2=NCN(CN2)Nc3ccccc3 -MOL_01_043237,c1cc(Cl)ccc1C(=N)CCc(c2CC=O)cccc2 -MOL_01_043238,n1ccccc1CC(=O)CN2CCOOC2 -MOL_01_043239,O=C(O)CCC(=C)Nc(cc1)ccc1C=O -MOL_01_043240,CC(C)CCN(O)CCc1c(N)ncnc1 -MOL_01_043241,C\1=C\C=C/C(/C)=C\C(=O)\C=C/1\CCn2ccncccnc2 -MOL_01_043242,O=CCNC(=O)/C/1=C/C=C/C(=O)C(CC=C)C(O)\C=C\1 -MOL_01_043243,c1ccccc1-n2oncncncc2=O -MOL_01_043244,c1cc(F)ccc1C(=O)CNCNNCCC -MOL_01_043245,n1cncc(c1C=O)CNc2ccncc2 -MOL_01_043246,C=CNC(CC)CCCCCc1c(NO)coc1 -MOL_01_043247,c1ncccc1CC(=N)OCCc2cncnn2 -MOL_01_043248,NCc1ccc(cc1)NC(=N)NCc2c(C)cccc2 -MOL_01_043249,O=CCC(O)Nc(c1)ccc(Cl)c1Cl -MOL_01_043250,CNC(C)CCN(CC)CCc1c(Cl)cncn1 -MOL_01_043251,c1cccc(c1=2)=NC(=N)C(C2)=N -MOL_01_043252,CNC(=O)Cc1cccc(n1)O -MOL_01_043253,c1cncnccnc(c12)cccccncc2 -MOL_01_043254,C1NONCN1c2ccc(O)cncccc2 -MOL_01_043255,CCCCNCC(O)Cc1cnc(Cl)cn1 -MOL_01_043256,CC(=O)Cc1ccc(cc1)CCCC(C)Cc2cncnc2 -MOL_01_043257,C=CC1C=CN(N=C1)c(cc2)ccc2CN -MOL_01_043258,CCCCCCC(O)NCCc1cc(F)ccn1 -MOL_01_043259,N=COCC(C(/C1=2)=C1)C(=N/[H])\C=C\C=C/C2 -MOL_01_043260,n1cccnc1ONC(=N)Cc2ccc(C3N=N3)cc2 -MOL_01_043261,N=C(O)N(O)CCCCC(=C)CCc1c(F)ncnn1 -MOL_01_043262,[*]C(=C)C1CCCC=C1C(=O)CN -MOL_01_043263,CN(N)CC(C1)=C1CCCc2ccncn2 -MOL_01_043264,OCCNC(=O)CNC(=C)NCc1ccc(F)cc1 -MOL_01_043265,CC1\N=C/C=N/C=N\C=N\N1c2ccccc2 -MOL_01_043266,C=C(O)c1cc(C(C)N)cc(c1)CC=N -MOL_01_043267,CNNCC(=O)c1c(F)cccc1 -MOL_01_043268,NCc1ccc(cc1)ON([*])NCCCc2cncnc2 -MOL_01_043269,Cc(s1)ncc1CC(=O)NCCc2ccncc2 -MOL_01_043270,CC(O)CCn1n([nH]cc[nH]1)COc2ccccc2 -MOL_01_043271,c1ccccc1C(=N)OCc(ccc2)cc2C(=N)Oc3ccccc3 -MOL_01_043272,c1ccccc1Cc2ccc(s2)NCC -MOL_01_043273,C1CN(N)CCC1C(=C)OCCOCCCC(=O)N(NC2)CCC2C -MOL_01_043274,CNC(=C)C1=CN1C/C=N/Oc(cc2)ccc2CN -MOL_01_043275,CNC(=O)C(C(C)(C)C)NC=O -MOL_01_043276,CC(C)(N)CCC(=N)Cc1c(C)nccn1 -MOL_01_043277,C#Cc1ccc(cc1)NN(CC2)C=CC2CN -MOL_01_043278,O=CCCC(=O)C1(CCCC1)c2cncnc2 -MOL_01_043279,c1cc(Cl)ccc1NC(=C)Nc2ccc(cc2)NCN3CCCNC3 -MOL_01_043280,N#Cc1c(Cl)cc(cc1)OCc2ccc(cc2)OC -MOL_01_043281,OC(O)c1ccc(cc1)CN(CO)Nc2ccccc2 -MOL_01_043282,NCNc(cc1)ccc1C2CNC2 -MOL_01_043283,OCCCC(O)Cc1ccc(C)cn1 -MOL_01_043284,NCCc1ccc(cc1)Nc(ccc2)cc2CN -MOL_01_043285,O=CNC(O)Nc1cccnc1 -MOL_01_043286,O=C/C(Cl)=C/N(CC1)CC=C1NC(=O)NC(C)C -MOL_01_043287,CC(=O)CCCc1cnc(cn1)CCCCNC(\C)=N\C=O -MOL_01_043288,N=CNc(o1)ccc1-c2ccco2 -MOL_01_043289,OCCOCC(O)c1ccc(Cl)cn1 -MOL_01_043290,CC(O)c1ccc(CN)cc1 -MOL_01_043291,CCCCNCCC([*])NCCc1c(F)cncn1 -MOL_01_043292,c1oncc1CNCNCc2ccccc2 -MOL_01_043293,CCNNCNCNCNNc1cccc(c12)cc(Cl)cc2 -MOL_01_043294,O=[*]C([*])CC(=O)Nc1ccccc1 -MOL_01_043295,NNCCC(=N)c1ccccc1 -MOL_01_043296,CC(C)ONCC(=O)CCc1ccccn1 -MOL_01_043297,C=CCNC(=O)N(C)C1CCCOC1 -MOL_01_043298,OC(O)COCc1c(C)cncc1C -MOL_01_043299,C1CCN=CC1(CNC=O)C2CC=CCC2 -MOL_01_043300,C=C(O)Nc(c1)ccc(c12)O2 -MOL_01_043301,N=CNC(CC1)CCC1(CC)C/C2=C/C=C\C=C/CN2 -MOL_01_043302,FC(F)(F)c1cnc(nn1)CCCCNN -MOL_01_043303,CNN(C=O)c(ccn1)cc1C -MOL_01_043304,n1ccnc(c1[*])CCC(=N)C(C)CC -MOL_01_043305,CCCC(CO)CCCC(=O)OCc1ccccn1 -MOL_01_043306,O=C1CCC(C=O)C=C1CC2CCCOC2 -MOL_01_043307,CC(N)c(cn1)ncc1C(C)NNCCCCC -MOL_01_043308,ClCC(=O)Cc1ccc(CN)cc1 -MOL_01_043309,NCc1c([*])ncnc(C)ccccnccc1 -MOL_01_043310,N=CNC(=O)NOc(c1C)ccnccccn1 -MOL_01_043311,CC(C)/C1=C/C=C/C=C(NCN)/C(/CC)=C\C=C/C/N=N\CC1 -MOL_01_043312,c1ccccc1Nc2ccnnn2 -MOL_01_043313,N=CCc1cc(CC)cc(c1)CN -MOL_01_043314,CCC(=O)C(CC)CC(O)OCc1ccccc1 -MOL_01_043315,C=NC(OC)N(CCC)C(=C)CCC(=O)CC -MOL_01_043316,NCCC(C)Nc(nc1)nc(Cl)c1C -MOL_01_043317,CC(C)Nc(co1)nc1CCN -MOL_01_043318,OCNOC(=O)N(OC)c1ccccc1 -MOL_01_043319,N=C(O)c1c(CC=O)cccc1 -MOL_01_043320,NC(=O)CCCCNCCc1cccnn1 -MOL_01_043321,C=CCCC(=O)c1cnccn1 -MOL_01_043322,C=S(=O)Cc(cc1)ccc1CC -MOL_01_043323,O=C(O)Cc1c(Cl)cncn1 -MOL_01_043324,CCS(=O)(C)c1ccccn1 -MOL_01_043325,CCNCNCNc(cs1)nc1C -MOL_01_043326,CC(=O)NCCC(=O)NCNCCCCCCC -MOL_01_043327,n1cnncc1CNC(O)CCCCCCCC -MOL_01_043328,CC(C)(N)C(O)C1CCC(CC1)C(C2)CC2CC=O -MOL_01_043329,OCC(=C)C(C(C)C)NCc1ncccn1 -MOL_01_043330,COC(N)c1ccc(Cl)nn1 -MOL_01_043331,S1CCC(C12C)C(=O)CC2 -MOL_01_043332,CCC(N(C)C)CNC(OO)ONC1CCNCC1 -MOL_01_043333,Cc1ccnc(Cl)cncncncnc1 -MOL_01_043334,C1=C=C=CCCCNCN(C)C(=C)CC=C=CN/C=N/N=C1\CC -MOL_01_043335,c1nncn1CC(O)C(N)CCCCCCCCN -MOL_01_043336,c1ccccc1C(O)NNCc2ccccc2 -MOL_01_043337,[*][*]OC(=O)On1ccccccnc1 -MOL_01_043338,CCC/C1=C/C/N=C(O)\C=C\C=C/CNC1 -MOL_01_043339,OCCCC(=O)C1CCCCNCC1 -MOL_01_043340,O=CNCCCCCNNc1cc(Cl)ccc1 diff --git a/results/generated_molecules/filtered_all_generated_molecules.smi b/results/generated_molecules/filtered_all_generated_molecules.smi deleted file mode 100644 index 1d7af72..0000000 --- a/results/generated_molecules/filtered_all_generated_molecules.smi +++ /dev/null @@ -1,43340 +0,0 @@ -O=C(O)C(C=1)=Nc(c12)ncc3c2=NN(C3=O)c4ccccc4 -N1=CC(C)=c(c12)cc3c(c2C)=NC(=O)C(=C3C)CC(=O)NC(C(=O)O)CC(C)C -CC1CCC(CC1)NC(=O)C(C)N(N=C2C)C(=O)C(C23C)=NN3c4ccccc4 -c1ccccc1C2C(=N\c(c3)ccc(c34)O4)\N(C(=O)CC2C(=O)NCC)Cc(c5)ccc(c56)OCO6 -n1cccc(c12)cccc2C(=O)N(C3)CCC(C34)CCc5c(O4)c6c(O6)cc5 -Nc1ccccc1C(N=2)=NC(C23)=c4c(=NC3=O)cc(cc4)-c5ccccc5 -c1ccccc1C(c2ccc3=O)C(Nc(c2n34)cnc4)c5ccccc5 -OCCC1CCN(CC1)c2ncnc(CC)c2CCc3ccc(C)nc3 -Nc1cccc(c1)N2C(=O)C(N)C2c(c(n3)N)cc(c34)cccc4 -Oc1cccc(O)c1C=2C(=O)N=c(c23)nc(nc3N)Nc4ccccc4 -CNC(=O)CCCN1C(=O)CCn(c12)cc(c2)-c3cn(C)c(c34)cccn4 -COCCNc1ccccc1C(=O)NC2CCCc(c23)n(cc3)-c4ccc(O)cc4O -C=1N=Nc(c12)nc(=O)n3c2nc(n3)-c(c4)ccc(c45)OCO5 -Cc1cc(C)c(cc1O)-c2nnc(n23)CCC(=N3)Nc4cccc(C)c4C -O=C(C)NCCn1c(=O)c(-c2ccccc2)cc(c13)ccc(c3)NCc4ccc(O)c(N)c4 -CCOC(=O)NCCC1CCc(c12)nc(nc2O)-c3cccc(c34)OCOC4 -c1cc(N)cc(c12)C(C(N)(O)O)(OC(C(=O)N2)CC)CCC3CC3 -CCCC(C1=O)C(=O)N(CC(C)C)c(n12)cc3c2cccc3 -Cc1ccc(cc1)N(C2=O)C(=O)N=C(C2=3)c4c(N3)cccc4 -CCOCCCNc1c(CCC2)c2nc(n13)cc(c3)-c4ccc(O)cc4 -CC1=CC(C)=C(C1=2)C(=C(N2)C(=O)N(C)C)c3ccc(cc3)CCNc4ncccn4 -c1ccccc1C2(C)N(C(=O)C)N=C(C2)NC3=NC(=O)/C(C3)=C\c4ccccc4 -OC(O)(O)c1cnc(c(F)c1)C(CCl)(c2ccccc2)N3CCOCC3 -CC(C)Nc(n1)n(CC)cc(c12)ncc2C3CCN(C3)C(=O)CC(C)C -Cc1ccc(N)cc1NCCNC(=O)c2cn(C)c(=O)c3c(c4c23)cccc4 -OCCOC(CO)n1ccc(c12)c(cc(c2)N)NC3CCCCC3 -c1ccncc1C2(c3ccccn3)C(=O)OC(C2)Cn4cccc4 -CCOc1ccccc1N2C(=N)C/C(C2=O)=C\c(c3)ccc(c34)OCc5c(O4)cccc5 -C1CNCCN1Cc2c(C)c(-c3ccc(N)cc3)n(c2)-c4cnc(N)cc4N -CCNC(=O)COC(C)n1ccc(c12)c(N)cc(c2)NCC3=CCCCC3 -c1cccnc1-c2nnc(n2CCC)CCC(=O)NC3CCCCC3 -COc1ccc(cc1)C2=CC=C(C2=3)N=C(C3)CCN(C4=O)C(=O)c(c45)cccc5 -Cc1cn(cn1)-c2ccc(cc2OC)/C=C/C(N=3)=NC(=O)C(C34)=C(C)C(=N4)C -CCNc1ccc(cn1)C(=O)N(C2)CCc(c23)c(N(C)C)cc(c3)C -Cn1ccc(c12)C(COC)N(CC2)C(=O)Cc(c3)ccc(c34)OCO4 -CCCn1ncc(c12)c(ncn2)CCc3ccccc3 -O=C(C1)Cc(c12)nn(C(C)(C)C)c2NC(=O)c3ccccc3O -Oc1ncc(cc1)-n2c(c(O)nc2C)-c3c(O)cc(O)cc3O -COC(=O)c1ccc(cc1)C2CCC(=O)Nc(c23)n(cc3)C4CCCC4 -c1ccccc1-n(cc2C(=O)NN)c(=O)c(c23)n(cc3)-c4ccccc4 -CC(C)(C)n(c1)cc(C(=O)N2)c1CC23CCN(CC3)C(=O)c(c4)ccc(c45)ccc(c5)N -CCCOC(=O)c1ccc(C(=O)OC)c(c1)NC(=O)c(c2=O)ccc(n23)OCC3 -c1cccn1CCOc2cc(N)cc(N)c2-c3cc(N)cc(c34)CN(C4)C(=O)NC5CCC5 -Nc1c(O)c(C)cc(c12)Nc3c(O2)cnc(n3)Nc4cccc(c4)OCCN5CCOCC5 -Nc1cccc(c1N)C(=O)N(C2)CCn(c23)c(cc3)-c4ccc(O)cc4 -CCc1ccc(cc1)-c2ccn(c23)c(C)c(cn3)C(=O)NCCOc4ccccc4 -Nc1ccccc1C2=NC(C(=O)Nc(c23)ccc(c3)N)CC4=CN=C(C4=5)C=CC5 -CCNc1cccn(c12)nc3c2ccn(c3=O)-c4ccc(C)cc4 -COc1ccc(cc1)-n2nnc(c23)c(ncn3)CCC(=O)Nc4ccccc4O -O=C(N=1)C=Cc(c12)c(O)c=3c(c2O)N=CC3 -O1COc(c12)ccc(c2)-c3nnc(n3CC)CCC(=O)n4nc(C)cc4C -Cn1cc(cc1)C2CC(C)=Nc(c23)n(C(C)C)cc3O -c1ccccc1-c(n2)ccc(c23)ccc(c3CCCN)/C/4=C(\N)/N=C\C=N/C=N\4 -c1ccccc1CCn2c(nc(=O)cc2N)CCC(=O)Nc3ccc(O)cc3 -c1cccc(c12)CC(\N2)=C(/CC)c3ccnc(n3)N4CCOCC4 -COCC(=O)Nc(cn1CC)c(c12)cc3c(c2)ccc(c3)C -CC(C)N1C(=O)CCCC1c2ccc(cc2)OCCN(C)c3ccccn3 -c1cc(C)cc(c12)N(N)C(=C(N2N)CC)C(=O)NCC(c3ccccc3)c4ccccc4 -COC(C=C1)=C(C1=2)C(C)=C(N2)C(=O)OCC(=O)N(C(C)C)Cc3ccccc3 -Nc1ccccc1N2CCN(CC2)CCN(C3=O)C(=O)C=C(C3=4)c5c(C4)cccc5 -CCC(C=1)=NC(=O)C(C12)=Nc3c2ccc4c3cccc4 -c1ncccc1-c2ncn(c23)CC(COC3)CNCC4CCOCC4 -Nc1c(C)cc(cc1C)N(C2)CC(C23)CN(C3)C(=O)c4ccccc4-c5ccn(C)c5 -Cc1ccc(c(N)c1)-c2c(ccn2C)CCC(=O)Nc3ccc(cc3N)-c4ccc(cc4)CC(=O)O -c1ccccc1/N=C2\CC(=O)C(=O)N2CCCNc3ccnc(c34)cc(Cl)cc4 -NCC1(CC1)n2cc(cc2)C(CCCCC)NC(=O)c3ccccc3C -c1cccc(c12)CC(\N2)=C(/CC)c3ccnc(n3)NCCc4cn(C)cn4 -c1cccnc1-c2nnc(n2N)CCc3c(O)cccc3O -Cc(n1)cc(n12)nc(c[n+]2[O-])COC(=O)c3ccc(cc3)NC(=O)CCc4ccccc4 -CCNc(c(c1)OC)cc(c12)c(c(cc2)C(=O)N)Nc3ccc(O)cc3O -c1cccc(c12)cc(n2CCC)CCC(=O)N3CC(=O)Nc(c34)cccc4 -C1COCCC1Nc(c2)ccc(c23)cc(c(=O)n3CCC)Oc4ccc(O)cc4O -Cc(n1)cc(N)c(c12)cc(c(n2)N)-c3c(O)cccc3O -c1ccccc1-c2nnc(n2CC=C)CCC(=O)Nc(c3)ccc(c34)OCO4 -CC/C=N/NC/C(C(=O)N)=C/c1ccc(c(c1)OC)OCCOc2c(C)cccc2C -C1CCCc(c12)nc(nc2C)CC3CC(=O)N(C3=O)c4cc(N)cc(N)c4 -CCCN1CCC(C1)n2c(=O)ccc(c23)ccc4c3cc(cc4)-c5ccc(N)cc5 -CCCCCCO[N+]([O-])(OCC)c1ccc(cc1)NC(=O)C2CCC(=O)c(c23)cc(C)c(c3)C -CC(C)n1ccc(c12)c(ccc2)CCC(CN)COC(=O)C3CCCCC3 -CC(C)CN(C1=O)C(=O)C=C(C1=2)C=C(C2)c3ccn(c3)Cc4cccc(O)c4 -CCCN1CCC(CC1)n2c(=O)ccc(c23)ccc4c3cc(cc4)-c5ccc(N)cc5 -CCCCNc(c1)cc(N)c(c12)cc(O)n2Cc3ccccc3C -Nc1cccc(c12)n(cc2)C3COCC(O3)CO -COc1cccc(c1)C(=O)Nc2ccccc2-c3ccn(c3)-c4ccccc4 -Cc1ccccc1CC(CO)NC(=O)CC(c2cccc(N)c2)NC(=O)c3ccccc3 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-O=CCC1CC(c(c2)ccc(c23)O3)N(C1)CC(=O)NCCCN4CCOCC4 -CCCCCC(=O)OC/C=C/C1CCN(C)Cc(c12)ccc(c2O)NC -NC(=O)Nc1cccc(c1)-c2cccn2-c3cccnc3 -CN1CCN(CC1)c2cn(c3c(c24)cccc4)c(=O)c5c(n3)cccc5 -COc1ccccc1NC(=O)CCCC(=CC2=O)c(c23)cc(C)cc3C -C1CCOC(C)=C1C(=O)Nc2ccccc2C(=O)NC3CCCCC3C -CCCCNc1cc(N)cc(C)c1CCCN2CCCCC2 -c1ccccc1-n2c(nnc2C)CCc3nnc(n3C)-c4ccccc4 -CC(C)C(C)NC(=O)N(C1)CCn(c12)cc(c2)C(=O)NCCN(C)C -OCCN(C)C1CCN(CC1)c(cc(c23)cccc3)n2Cc4ccc(O)cc4 -Cc1ccc(cc1)-n2nnnc2CCC(=O)N(C3)CCc(c34)cccc4 -Cc1ccccc1C(CC(=O)O)NC(=O)c2cc(N)ccc2N -CC(C)NC(=O)N(C)CCOc1c(C=O)cccc1NC(=O)C2CCCCC2 -COc1ccccc1NC(=O)Cc2nnc(n2C)CCC(=O)Nc3ccccc3O -OCCn1c(=O)nc(c(c12)CCCC2)CCc3cccnc3 -Oc1ccc(cc1)Cn2c(cc(c23)cccc3)N4CCNCC4 -C1CC1CN(CCC)C(=O)c2c(ccc(c23)O3)OCC(=O)NC(CC)CO -Nc1ccc(c(N)c1)C2=C(C=C2)C(=O)Nc3cccc(c34)cccc4 -NC(=O)Nc1cccc(c1)-c2cccn2-c3ccc(O)cc3 -Cc1ccc(cc1)C2(O)N(CC=C)/C(OC2)=N/c3ccccc3 -Cc1ccc(cc1)-c2nnc(n2C)CCC(=O)NC3CCCC3 -CC1=C(C)C(=O)N=C(C1=2)C(C)=CC2OCC(=O)NC3CC3 -C1CCc(n12)ncc(c2=O)C(=O)NCc3ccc(O)cc3 -C1CCc(c12)cc3c(c2)N(N)C(=NN3N)N4CCCCC4 -c1cccn1-c2ccc(cc2)C(C)NC(=O)c3c(N)cccc3O -CCc1ccccc1NC(=O)C(=O)C(CC)c2c(N)cccc2N -CN(C)CCOC(C=C1)=C(C1=2)N=C(N2)c3cccc(c3)OCc4ccccc4 -c1ccccc1N(CC(=O)N)C2OC(=O)N(C2=O)Cc3ccccc3 -CCC1CCCN1C(=O)CNC(=O)CCC(=O)NCCNCc2ccc(O)cc2 -c12ccc(O)c(c1)OCc3c(cc(cc3)-n4cccc4)CC(O)C(C2)NCC5CC5 -CNC(=O)C1CC(N)CN1c2cc(cc(C)c2C)N3CCCC3 -Oc1cc(ccc1)-n2cc(NC)c(c2)C(=O)Nc3ccc(cc3)OCC(=O)N -CCn1c(C)cc(c1C)/C=C2\CC(=O)N(C2=O)C(C)C(=O)OC -O=c1cc(O)nc(n1CC=C)CCc2ccccc2 -COc1c(C)cc(cc1C)Cc(c(=O)n(C)cc2)c(c23)cc(c3)N -c1ccccc1NC(=O)Cn(c2=O)cc(c(c23)cccc3)Cc4ccccc4 -NC(=O)c1cnc(cn1)-c2cccc(c2)NC(=O)C3CC3 -Cn1cccc(c12)c(=O)nc(c2)-c3ccc(N)cc3 -CCOC(=O)N(C1=O)C(C)=NC1(C(=O)OC)C(=O)OC -Nc1ccc(c(N)c1)C(N=2)=CC(C23)=C(C=C3)c4ccccc4 -CCN(CC)c(n1)nc(n12)ncn(c2=O)C(=O)NCc3cccc(C)c3 -CCC(C)c1ccccc1NCCC(=O)Nc2ccccc2N3CCCC3 -CCOc(c1)ccc(c12)cc(CC)c(n2)CCC(=O)N3CCCC3 -COC(=O)CNC(=O)c1ccccc1Nc2c(N)ccc(C)c2N -Nc1ccc(O)cc1-c2ccc(nc2)N3CCOCC3 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-c1cc(F)cc(c12)CC(C)N2C(O)Cc3nc(O)c(F)c(n3)N4CCCCC4 -C1CCCCN1c2cc(O)nc(n2)CC(O)N3CCc(c34)ccc(F)c4 -C1CCNN1CCNC(O)c2ccc(cc2F)-c3cnc(n34)ccc(c4)NCN5CC5 -FC(F)(F)Cc1cccc(c1)-n2cnc(c23)ccc(n3)NC4CCNCC4 -c1ccccc1-c2cnc(n23)c4c(cccc4)c(c3)CNC5CNNCN5 -c1nc(F)ccc1Cc2c(O)c(-c(cn3)ccc3OC)nc(c24)cnc(c4)N5CCNCC5 -CCc1ccc(NC)c(c1)CNC(O)C(NC)n(c2O)cc(F)c(c23)nc4c3cccc4 -O=C(F)CN(C)c1ncnc(c12)ccc(c2)-c(c3)ccc(c34)CCN4 -OC1NCCNc(c12)n(C)c3c2ccc(c3)-n4cnc(cc4=O)NCc5ccc(F)cn5 -C12NC(N)C=C(C1)c3c(C2)nc4c(ccc(F)c4)c3NCNCN5CCOCC5 -C1CC(C123)(CC3)N(C(C)C)c4c5c(ccc(C)c5F)cc(n4)c6cnc2nc6 -CCN(C)NCCNC(F)c1nc(-c2ccc(NC)c(F)c2)c(F)c(c13)n(C)c4c3cccc4 -c1ccccc1-n(c2O)c(CN(CF)CC)nc(c23)nc4c3CCCC4 -CN(C1)CCC(C12)c3c(nc(OF)cc3)N2c4ccc(CF)nc4 -OC1CCNc(c12)nc3c(c2F)c4c(n3F)CCCC4 -Fc1ccc(cn1)N(C23)CN(C2)c4n(O3)nc(n4)-c5cccnn5 -n1ccccc1NN(Nc2ccccc2)c(c(c34)ccn3N)cc5c4C6=CCC5N6 -CNc1ccc(cc1)-n(c2O)c(OCCF)nc(c23)nc4c3CCC4 -CN(C)C(N1)NCc(c12)n(c3c2cccc3)C(F)(O)c4ccc(F)cc4 -CNCCCOc1cccc(c1)C2=NC(=O)NC(C23)c4c(C3=O)cccn4 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-c1ccccc1C(=C2)C(C(=O)C(NC3)N=CC3=C24)=C4NC(F)Nc5ccccc5 -CCNc(cc1)cc(c12)cc(c(n2)F)C(N3CCN(C=C3)CCC)c4nccn4C5CCCCC5 -O=CC(F)Nc(c1)ccc(c12)N=C3C2=NC(=C3C(=O)F)c4ccc(cc4)Nc5ccccc5 -NCCCc1n(C)c(c(n1)F)C2CC(=CN2C(N)O)c3cccc(c34)cccc4 -Fc1cccc(c12)C=3C(=C2C(C)O)C(O)c4c(C3O)cccc4 -CC(C)c(n1C)c(CF)c(c12)C(=O)C(CC2=O)N3CC3F -CNc1cncc(n1)-c(c(O)c(c23)cccn3)n2CC(=O)Nc4ccc(F)c(F)c4 -C1CCCn(c12)c(F)c3c(n2)nc(c3C)C(F)NCCc4ccc(F)cc4 -CCn1cc(F)c(c12)CC(NC2)Nc(n3)cn(c34)cccc4-c5ccc(F)cc5C -C1NCCc(c12)c3c(n2)nc(n(c3F)N)NCC(O)c4ccccc4 -Fc1ccccc1-n(cc2)cc(c23)nc4c3cc5c(n4)CCCC5N -CC(C)CCc1c(N)c(ccc2)c3n2CCc(c4c13)ccnc4 -c1ccccc1C23c4c(cccc4)C(O)=C2CCN3C(O)c5ccccc5 -n1cccc(c12)C(=O)c3c(C2O)c(F)cc4c3n(F)c5c4cccc5 -NCC(=O)Nc(c1)cnc(c12)C(O)(C(F)(F)F)c3c2cccc3 -Fc1ccc(cc1F)-c2c(C(F)NCF)c(N3CNCCN3)nc(c2)-c4ccccc4 -FC1(Cl)C(=O)NC(N12)Nc3c(C2)cc(cc3F)-n4cc(F)nc4F -c1cccc(c12)nc3n2c(c4c(c3CN)CCN4)Nc5ncc(cn5)C(F)O -CNc1nc(F)nc(c12)nc(cc2)-c3ccc(F)cc3F -n1ccnc(c12)nc3c(c2C(F)O)NCCN3Cc4c(F)cccc4F -C1CCC=CN1c2nc(nc(c23)cc(CC)c(c3)NC)N4CCC(CC4)N5CCCC5 -CCc1ccc(cc1)-n(c2O)ccc(c23)c4c(n3)nccc4N(C)C -NN(F)c1cccc(c1)C2C(=C(F)CNC3)C3=NC(=C24)CCCC4O -c1ccnc(C2)c1C(C(N23)CNC3=O)/C=C/c(n4)ccc(c45)cc(NF)cc5 -CNC(F)c1cc(ccc1F)NC(C)(C)C(=O)NC(N=2)=Nc(c23)c(C(F)(F)F)cc4c3=CN=C4 -c1ccccc1N(C2O)C(=O)C3=CC(C4=C23)=Cc5c4cccc5 -Fc1ccc(cc1)C2N=C(CC(O)CNC)c(ccc3C)n3c(c24)ncc(c4)CC -Cn1n(C)c(c12)cc(cc2NF)Cc(n3CC(CF)NF)nc(c34)c(F)ncn4 -c1ccccc1C(N=2)=C(C=3C24)C=C(N3)C(O4)NCCc5ccccc5 -Fc1ccc(cc1)-c2c(NC(F)O)nc(n23)Nc4c(C3F)cccc4 -CC(O)c1ccnc(c1)-c(nc(n23)CCC3)c2CCCC(F)N -c1cccnc1Cn(c(=O)c2)c(C)c(c23)C(=O)C(=N3)c4ccccc4F -C1N=C(C)CNC12c3c(ccc(C)c3)C(=N2)C(N4)c(cc45)ccc5 -NCCNc1ccnc(c12)cc3c2ncn(c3O)-c4ccc(N)nc4 -OC(F)C(F)n(nc1F)c(O)c(c12)c3c(n2)cccc3 -CN(C)CNN(C1O)C(=O)c2cc(nc(c2c13)cnc3)-c4ccc(F)c(F)c4 -CNc1ccc(cc1NCl)-c2c(F)nc(n23)c(F)cc(n3)F -CN(C)Cc1c(F)n2c(nccc3)c3NCc(c2c14)cnc4 -c1cccc(c12)C(C(=O)N2F)Nc3nc(n(c34)cccc4)-c5cccc(F)c5 -c1ccccc1-c(c(C)c2C(O)OCC)n(c23)c(O)c(cn3)-c4ccccc4 -CNCC(F)Nc1nc(F)nc(n12)c(c(n2)F)-c3c(F)cc(NC)cc3NC -C1NCCNC1C(O)N2CCN(CC2)c3ccnc(c34)cc(F)cc4 -CC(N)Nc(c1N)nnc(c12)C(F)c3c(N2F)c(NF)cnc3 -CCc1ccc(c(F)c1)-n(c2F)cnc(c23)c4c(n3)ncnc4NC5CC5 -CNc1c(F)cnc(c1F)Cn2cc(c(c23)c(F)nc(n3)F)Cc4cccc(F)c4 -Fc1cccnc1-c2n(-c3cnc(F)cc3)c(F)c(n2)CNC4COCN4 -CNc(c1)ccc(c12)n(c3c2CC(C(=O)F)CN3)C(=O)c4ccccc4 -FCc1cc(cnc1F)-c2cnc(n23)cc(cc3)-c4cccnc4 -O=C(F)CNc(c(Cl)c1F)cc(c12)NC(F)(C2=O)c3cccnc3 -N1CCCC1Cn(c(c23)CC(F)(F)NC2)c(nc3=O)-c4ccc(F)cc4 -FC(F)c1ccc(F)c(c12)nc(c(c2O)C(O)N(F)F)Nc3ccc(F)cc3F -CNCNCCCCn1c(NCN(C2)C(F)O)c2c(c13)cc(cc3)-c4ccnc(F)c4 -CNc(c(F)c1)cc(NC2)c1C23c4c(cccc4)N(C3O)Cc5ccncn5 -OC(F)CNC1CCc(c12)c(ccc2)NC(F)(F)C3=C(F)N=C(C3=4)N=CC4 -FC(N)c(n1)cc(F)c(c12)c(F)c(N)n2C3CCNCCN3 -c1cccnc1CNc(c2-c3ccc(cc3)C(F)O)nc(n24)c(ccc4)N5CCCCC5 -FCC(C)NC(O)c(c1F)nc(c12)nc3n(c2O)CCC3 -Fc1ccc(nc1)-c(cc(c23)NCC3)n2-c4ccncn4 -N1C\C=N/C=C\2C(O)c(cccc3)c3C(=C4O)C2c(cc5)c4cc15 -c1cnc(c12)c(O)n(CC)c3n2c(nc3)CCC(O)Oc4ccc(F)cc4 -NNc1ccccc1C(C2=O)=CC=C3C(=c(c4=C23)cc5c(c4)cccc5)CNc6ccccc6 -FC(F)(F)C(C1)=CN(C12C)C(O)N(C2=O)c3ccc(C(F)F)c(C(F)(F)F)c3 -FOCC(O)Nc(c1O)cnc(c1C23CCCC2)c4c(C3)cccc4 -C1CCCC(C1=2)=c3c(C2)c4c(c(CC=O)c3O)=CC=C4Nc5ccccc5 -O=C1C=NC=C2N=C(C3=C12)c4c(C3O)cccc4 -CCNC(O)N1CCC(CC1)NC(O)CNc(c2F)c(C)nc(c23)n(C(F)(F)F)nc3F -Cn1c(=O)n(C)c(O)c(c12)nc3c2nccc3 -CN1CCN(CN1)c2ncc(cn2)-c3c(F)nc(c4c35)cc(n(o5)C)c(F)c4 -CNc1ccc(cc1CN)-c(n2)ccc(n23)nnc3-c4ncccc4NC -CCc1ccc(cc1)C(CCN)NC(=O)C2(F)CCN(CC2)c3ncnc(F)c3F -c1ccccc1CC(C2=O)=CC(C3NNCC=C3)=c(c24)c=5c(cc4)C=C(C5)c6ccccc6 -Cc1cncc(c1)CCNC(=O)C(N=2)=CC(C23)=c4c(=NC3=O)ncc(c4)O -CCCC(=O)N1CCN(CC1)C(O)CNc(n(c2F)CCC)nc(c23)c4c(n3)cccc4 -OC(F)c(cn1)cc(c12)nc(O)n2-c3ccccc3F -c1ccnc(N(C)C2=O)c1C23CCC4(OC3)NCCN4 -Oc1ncc(c12)n(C3CC3)c4c(c2O)cc(F)c(c4)-c5cccnc5 -Fc1cc(ccc1)-c2ncc(c23)c(cc(O)n3C)Nc4cc(ccc4F)C(O)NC5CC5 -OC1NCNc(c(F)c2F)c1c(c2C34F)NCN3C(F)(F)NCN4 -CNC(=O)CN1Nc(cccc2)c2C13CN(NN3)c4ccccc4 -CNC(O)C(=N1)C(C(=O)CC)=C(C1=2)N=C(N2)C(F)Cc3cc(OC)ccn3 -Fc1ccccc1N(C(=O)CF)C2(c3ccccc3)CCN(CN2)CCn4cccn4 -NC(N)N1CCN(CC1)c2ncnc(CF)c2CCc3ccc(F)nc3 -Fc1cccc(F)c1-c2cnc(n23)cc(c(F)c3C)-c4cc(ccc4F)C(O)NC5CN5 -Fc(c1)ccc(c12)ncc(c2O)C(N3CCNCC3)c4cncn4C5CCCC5 -OC(Cl)NCCCCc1cccc(c12)CCCN2 -FCCC(O)Nc1ccc(cc1)-c2c3c(c4n23)cccn4 -CC(F)c1ccc(cc1)N2C#CN(CC2)CCN(C3=O)C(=O)N=C(C3=4)c5c(N4)cccc5 -Cc1ccc(cc1)-n(c2F)nc(c23)c(=O)n(cc3C)CC(=O)NCc4ccccc4F -CNC(CC1)CCC12C3(COC(F)O3)c4c(C2)ccc(c4)-c5cncc(C)c5 -FCc(n1)cn(c12)CC(CC2)NCc3cccc(c3)-c4cc(NC(F)(F)F)ncn4 -Oc1c(C)c(O)c(C)c(c12)nc3n2CCCC3c4cc(F)cc(F)c4 -c1ccccc1C(O)c(c(=O)n2F)c3c(cccc4)c4C(O)c(c3c25)ccc5 -C1CC1Nc2cc(ccc2C(=O)F)C3=c(cccc4)c4=C(C3=5)C(O)CCC5 -FC(F)CNC(O)C(C)Cc1cc(F)ccc1Nc2ncnc(c23)cc(cc3F)NC(F)(C)C -Fc1cccnc1-c(nc(F)n2)c(c23)CNCC3Cc4ccccc4F -Fc1cccc(F)c1Nc2ccc(cn2)-c3nc(C4CCN4)n(c35)ccnc5F -NCc1ccc(nc1)CCCC2CCC(NC2)C3=CN=c(c34)cnc=5c4C=CN5 -C1CNCN1C(=O)C2=NCC(C2)N3CCN(CC3)c4ccnc(c45)cccc5 -Fc1cnc(cc1)CC(F)C(O)N2CCN(CC2)c3ccnc(c34)cccc4 -n1cc(F)cc2c1n(c(c23)NCN(C)C3)CCc4cccnc4 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-CNc1cc(CN)ccc1-c(c2F)nc(c(c23)cccc3)C(F)NCC(F)N4CCNCC4 -NCc(c1)cnc(c12)c(ncc2)NCC3=NC=C(C3=4)C=C(C4)n5cccc5 -C1CNCCC1C(C)(N)NC(=O)c2nc(ccc2F)-c(c3)ccc(c34)CC(=O)N4 -CNC(O)c1ncccc1-n(n(N)c2=O)c3cccc(c3c24)ccc4 -N1CCNCC1CNc(c(c23)cccc2)nc(n3)N4CNNCN4 -CC(C)CCC(C1=O)C(=O)c2ccnc(c2c13)c(cn3)CCc4ccncc4 -O=C(N1)Cc(c12)cc(cc2F)-c3c(F)cncc3CC(F)F -FC(F)c1c(F)c(NF)c(nc1O)-c2ccc(cc2)N(C3)CC(C34)CCCN4 -c1ccncc1-c(cc2O)nc(n23)c(cc3)-c4ccc(F)cc4 -Fn1n(C)c(c12)cc3c(c2)ncnc3Nc(c4)ccc(c45)CNC5 -Nc(c1)cc(F)n(c12)nc(n2)NCc3nc(cn3CCF)-c4ccccc4 -Nc(c1)ccc(c12)c(CF)c3c4c2nccc4C(O)C(F)N3C -CCc1ccc(cc1F)N(CC23CN2)C(N3)c4ccc(cn4)C(F)(F)O -C1NC(=O)N(C12)Cc3c(c(CN)c(CN)c(c3)CN)c4c(C2)cc=5c(c4)=NCC5 -Fc1cc(ccc1)NC(C)(C)C(=O)NC(N=2)=Cc(c23)c(C(F)(F)F)cc4c3=CC=C4 -FNC(=O)Cn(c1O)cnc(c12)c3c(c2)nc(C(F)(F)F)cc3 -Fc1ccccc1C2NCc(c(nc3)C(F)NCF)n3c(c24)ccc(c4)C -Cc1c(F)ccc(c12)c(O)c(cn2)-c3cncn3-c4ccccc4 -CNc1c(CN)cc(nc1NC)Cn2cc(F)c(F)c2C(=O)NCF -c1cccc(c12)NC(C2=O)(NC)C3NCc(c34)cccc4 -NCc(c1)ccc(c12)c(O)c(C(F)O)c(n2)-c(c3)ccc(c34)NNC4 -CC(C)CCc1cccc(c12)ncc(c2O)OCCO -FC(F)NC(O)Cn(nc1)c(O)c(c12)nc3c2nc(F)cc3 -FCC(F)(F)NC(O)c1nn(-c2ccc(F)cc2F)c(c1F)-n3cccc3 -C1OCCCN1c2c(C(O)NCF)c(F)nc(c23)nncc3 -CCc(c(F)c1)cc(c12)NC(=O)C(F)(C2O)c3ccccc3 -Cc1ccc(cc1)-n2ccc(c23)c(ncn3)N4CCC(C(F)O)OC4 -CNc1nc(F)cc(n1)Cc2c(C3C=CC3)ccc(c2F)-c4cnc(F)cn4 -FC1CCCC1n(ccc2=O)c(c23)nc(nc3F)OC4CCCC4 -C1C=C=CC=C1C(C2O)N(C(N)N)c(c23)cccc3 -CNc(c1)ccc(c12)c(ccn2)CCc3nnc(n34)ccc(c4)-c5ccncc5 -OC(F)N(CC1)CNC12C/C(c3c(N2)ccc(C)c3)=N/CC(=O)Nc4ccccc4F -Cc1cccc(c1)-n2ccnc2NCC(=O)c3cc(C)n(c3F)CC4CCCN4 -c1ncc(c12)c(O)n(CC(F)(F)F)c3c2cc(C(F)O)c(c3)-c4ccncc4 -FCc1ccnc(c12)NC(CC2NN=C(F)F)c3ccccc3F -n1ccccc1-c(c2)n(c(C)c2C(=O)CCF)NC(O)NCc3ccc(F)cc3 -COc(c1)c(NC)nc(c12)ncc(n2)-c3ccc(F)cc3 -c1ccccc1CC(F)CC(C2=O)=c(c3=C24)cc(cc3NCNC4)-c5ccccc5 -FCc(c1)c(CF)cc(c12)nc(N3CCC=C3)nc2NCNCC4CC=NCN4 -c1cnccc1NC(O)c(c2-c3ccccn3)c(F)nc(c24)cccc4 -c1ccccc1NNCN(O)Nc(c(F)n2)cc(c23)C(F)(F)NCC3(F)F -Nc1c(F)cc(C)c(c12)C(O)Cc3c(N2)c(F)c4c(c3F)CNC4O -CNc1cccc(c1)-c2cn(c(n2)-c3cnccn3)Cc4ccccc4 -c1ccccc1-c2cn(C(F)O)c(n2)-c3ccncc3 -c1cccc(c12)C=C3C(C2=O)=CC(=C3)C(O)C(NC)C4NCNCN4 -CCNc1ccccc1-n2c(cnc2O)C3CC(=O)N(C)C3 -CNc1cccc(c1)-c2c(CF)c(F)nc(c23)CCCC3O -CN(C)CCNC(O)CN1C(=O)CCn(c12)cc(c2)-c3cn(C)c(c34)cccc4 -C1CC(C2)C(CC12)C=3C(CNC(=O)C)=Cc(c34)cnc5c4=CC=C5 -C1CCCNC1c(c2F)cc(C(F)F)c(n23)nc4c3cc(cc4)CC5CNCNC5 -N1NCCc(c12)n(CNCF)c3c2cc(cc3)-c4cnc(F)nc4 -CNc1cccc(c12)C=C3C2=CC=C(C3=O)c4ccccc4CN -c1ccccc1-n(cc2C)c(c23)cc(nc3O)C4CCN(CC4)c5cccnc5 -NCNCCNc1cc(ccc1C(F)F)-n2cc(F)c(c23)C(F)CNC3 -c1cccc2=CC(=O)C(C3=c12)=CC(=N3)C(=O)N4CCN(CC4)c5ccccc5 -Fc1ncc(F)n(c12)nc(n2)CCc3nc(N4CCCC4)cn3-c5ccccc5 -O=C1C(F)C(O)N(CF)c(n12)cc3c2cccc3 -c1cccc2=NC(=O)C(C3=c12)=CC(=N3)C(F)NCc4ccc(NF)cc4 -CNCc1cc(nc(F)n1)Nc2c(C3CCC3)ccc(c2F)-c4cnc(F)cn4 -O=C(F)Cc(c1F)c(O)nc(c12)c(F)c(cc2)NCc3ccc(cn3)-c4ccccc4 -Fc1nc(F)nc(c12)n(cc2C(F)O)CC(F)CCF -Oc(n1)c(C)c(O)c(c12)nc(-c3ccccn3)nc2CCCC -CNc1ccc(cc1)-c(n2)cc(c23)c(O)n(nc3)CC(O)NCc4ccc(F)cc4 -c1cccc(c12)c3c(c(c2O)CCC)c4c(C3=O)cc5c(c4)NCN5 -FC(F)(F)c(c1)ccc(=C(C(F)O)N2C(=O)F)c1=Nc(c23)cccc3 -NCCCNc1nc(c2c(n13)nccc3)c(nc2)-c4cccnc4 -CNc(c1)ccc(c12)C(F)(F)Nc3c2ccc4c3nc(F)nc4 -Fc1ncc(cc1)CCc2c(ncnc2CC)-c3ccc(c(F)c3)C(O)N4CCC(OC)CC4 -FNc1ccc(cc1)C2CNCN2C(F)c(c(F)n3)cc(c34)NCC4 -CNC(=O)c(c1)ccc(c12)c3c(c(n2)F)nc(CNCF)n3NCCNF -OC(F)Nc(n1)cn(c12)cc(cc2)-c3cccc(c3)NCF -n1cncc(c12)C(O)C(C(F)=C2F)Oc3ccccc3CCF -c1cccc(N(C)C2=O)c1C23NCCO3 -c1cccc(c12)C(O)c3c(C2O)c(cn3C)-c4ccc(F)cc4 -O=C(F)CCc(c1F)c(F)cc(c12)nc(cc2O)-c3cccnc3 -n1ccc(c12)n3c(c2)c(O)n(nc3C)CC(=O)N4CCN(CC4)c5ccccc5 -C1CCCNC1NC=2C(=NC(C23)=C(C=N3)CN)c4cccc(F)c4 -c1ccncc1-c(cc2)cc(c23)C=4C(=NC3=O)C=C(N4)c5ccccc5 -Nc1c(N)cnc(c12)c3c(NC2)c(CF)c(N)c(F)c3 -FC(F)(F)c1ncccc1-c(n2)ccc(c23)ncnc3NCc4cccnc4 -C1COCCC(N12)N(c3c(C2O)cccc3)Nc4cccnc4 -OC(F)c(n1)cc(n12)nc(cc2F)-c3ccc(NCF)cc3 -c1ccccc1C(F)N2C=NC(=NC2)C3c(ccc(F)c4)c4C=Cc(c35)cccn5 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-OC(F)C1CCN(CC1)c2ncc(-c3cnccn3)c(n2)C4CCCN4 -Cc1cc(Cl)nc(c12)nn(c2O)CC(O)Nc3cccc(F)c3 -C1NCOC1NC(O)c2nc(nc(c23)cccc3)Nc4cc(F)c(F)cn4 -CCC(F)c1cccc(c1)NC(=O)c2cc(ccc2F)-n3cnc(c3)CNc4ccncn4 -FCc(n1)cn(c12)c(F)cc(n2)N3CCN(CC3)c4cc(F)nc(c45)cccc5 -Fc(n1)ccc(c12)c(ccn2)NCCc3ccccn3 -OC(F)(F)c1ccc(cc1)-n(c(F)n2)c(=O)c(c23)cccc3F -c1cnccc1-c2nnc(n2CCF)NNC(F)N3CCc(c34)cccc4 -n1cnc(F)c(c12)nc(n2CCCC)Cc3cc(CCl)ccc3F -c1cccc(c12)C(CN)c3c2c(c(N)c4c3cccc4)Nc5ccccc5 -Fc1ccc(cc1)Nc(n2)cc(n(c23)ncc3)Cc4c(F)cc(F)cc4F -n1c(F)cnc(c12)nc(-c(cc3)ccc3F)c(n2)-c4ccc(F)cn4 -Fc1nc(F)ccc1CCc2c(ccnc2CC)-c3ccc(c(F)c3)C(O)N4C=CN(C)CC4 -FC(F)(F)C(F)Cc(nc1O)cn(c12)c(nc2)-c3ccccc3F -Nc(n1)ccc(c12)nc(F)n2C3CCCCN3 -CCc(c1)cc(F)c(c12)OC(CC(=O)C2)c3ccc(O)cc3 -Cn1nnc(c12)cc(cc2)CNCC(O)c(c3F)cnc(c34)c(C(F)(F)F)ccc4 -NCc1ccc(cc1)C(O)(O)N2C(=O)N(CC2O)c3cccnc3 -CCc1cc(NC)cc(c1)C(F)Nc(c2)ccc(c23)nc(cc3F)N4C=CN(CF)CC4 -Fc1nccc(F)c1C(F)c2c(F)c(O)nc(n2)NCCNc3ccc(NF)cc3 -NCCCC(CC1)=CCC1c(c(c23)cc(C)nc2N)c(F)c(c3)-c4ccc(CN)cc4 -Cn1cnc(c12)cc(cc2)C(O)N3CCC(NC3)c4nncn4CF -CCc1cc(cc(c1F)CN)-c2cnc(n2C)OCc3cccnc3 -Fc1c(F)c(C)nc(n12)nc(n2)NC(O)c3ccc(C(F)(F)C)cc3 -NN1CCN(CC1F)c2ccc(nc2)Nc3c(CF)cnc(c34)ccc(F)c4 -C1=CCCC=C1C(O)N(C=N2)CCC23c4c(CNC3)cccc4 -C1NC1C(CF)n2cc(F)nc(c2=O)Nc3c(F)cc(C(F)(F)F)cc3F -CNc1cccc(c12)c(=O)c(C(O)NC(F)(F)F)cn2CCCF -FNc1ccc(cc1)N(F)c2c(F)c(nc(c23)cccc3)-c4cccnc4 -Fc1ncc(cn1)-c2ccc(cn2)-c3ccccc3C(F)(F)N(CC4(F)F)CC4 -FNCC(O)c1cccc(c1)Nc2c(NCC3)c3nc(c24)cccc4 -c1cccnc1C(CC(F)C)NC(=O)c2ccc(N(C3)CC3(F)F)c(n2)CCC4CC4 -c1cccn1C(F)CC(=O)N2CCC(CC2)c3ncc(n34)CCC4 -FCCCc1c(C(O)NCF)c(F)nc(c12)ccc(F)c2 -CNc1cc(c(NF)cc1F)NC2CC(=O)C(O)c(c23)cncc3 -OCNc1c(F)nc(nc1C)N2C(O)CNC2c3c(F)cccc3F -C1CCCCC1C(N=C2C)=C(C2=3)N=C(C3)C(F)NCCN4C(=O)N(C)CC4F -CNc1ccc(CN)c(c12)CC3C(C2)CCCN3CCN -c1ccc(C)c(c12)nc3c(c2O)cc(c(N)c3CCCCNC)C(O)CCc4ccc(F)nc4 -NCC(O)CCC1NCc(c12)c(cnc2)-c3ccc(C(F)(F)F)nc3 -Fc1cc(ccc1)CNC(=O)Cc2ncc(nn2)-c3ccc(nc3)C4=CCCCC4 -OC(F)(O)Nc(c1)ccc(c12)c(cn2C(F)F)-c3cnc(CF)cn3 -CNc1cccc(c1)N2CCN(CC2)C(=O)CC3=CC=C4C(=O)C=c(c5=C34)cccc5 -C1CCc(c12)ccc(c2)CNC(=O)CNc3ncc(n34)nc(F)cc4CCF -FCc1ccc(cn1)Nc(c2)ccc(c23)nc(cc3)C(F)N4NCc(c45)cccc5 -c1cc(F)cc(c12)nccc2NC(C(=O)N)NCCCNc3cc(F)cc(c34)nccc4 -CC1CCN(CC1)c(n2)nc(n23)ncc(c3O)C(O)NCCc4ccccc4 -c1ccccc1C(CC(C)N2)n(c23)cc(n3)NC(=O)c4ccccc4 -c1ccnc(c12)n(c(F)c2NC(F)O)Cc3ccccn3 -Fc1ccc(cc1)C(O)Cn2c(F)nc(c2N(F)O)N3CCCC3 -Fc1cncc(c12)c(cc(n2)NC)C(=O)CC(C(F)O)C3(F)CC3 -Fc1ccnc(c1)N(C(O)c(c23)cccc3)C2Nc4ccccc4F -FCC1=NCC(=CC1)C(F)Nc(c2C)c(F)cc(c3)c2cc(=CC4)c3=CC45CCNNC5 -Fc1cnc(nc1)-c(nc2C(=O)F)c(n23)cc(cc3)N4CCNCC4 -OCCc(c1)ccc(c12)C(=N)C3=c4c(=C(C)C3=C2)cccc4 -C1CC1C(O)Nc(c2)ncc(c23)cc(nc3C)-c4cccnc4F -CC(F)(C1)Cc(c12)cc(OC(Cl)O)c3c2nccc3 -Fc1cccnc1-c2nc(F)ncc2-c3ccc(cc3)NCNN4CCNC4 -ClCc1ccc(cc1)-c(c2)cnc(c23)n4c(cnn4)CNC3 -Fc1cnc(cn1)-c2ccc(C3CCC3)c(c2F)NCC4CCNCC4 -CCc1ccc(c(F)n1)-c2cc(F)c(nn2)C(O)NC(F)(F)N -CCc1cc(NC)c(c(c1)NC)C2C(c3ccccc3)=C(C2N)CNCc4ccccc4 -OC(N1)C(N)(N)Cc(c12)cc3c(c2)ccc(n3)O -CNc1cc(ncn1)-n2cc(c(c2)C(F)O)-c3cc(F)ccc3C -CC(O)Nc1cccc(c1)Cc(n2)nc(n(c23)ccc3CN)Nc4cccc(c4)C(F)O -Fc1ccccc1-c2ncc(n2CCC)NCC(O)Nc(c3)ccc(c34)NCC4 -Fc1ccc(F)c(c1)NN2CNC(CN2)c(cc(c34)cccc4)c(c3)Nc5ccccn5 -Fc1cc(F)cc(c12)C(O)c3c(C2O)c(F)c(c(F)c3)-c4ccc(NF)cn4 -CCc1nccnc1Nc2ccc(F)c(c2)C3(C(F)F)CNCC(F)C3 -FCc1ncc(c(n1)NCC(F)(F)F)CNCN(C2)CCc(c23)cccc3 -FCCCCCNc(c1)c(NN)cc(c12)ncnc2Nc3cc(F)c(F)cn3 -NCNc1ccc(F)c(c1)-c2cc(cc(c23)nccn3)Cc4ccncn4 -C1CCCCN1NC(=O)c2cn(-c3ccccc3)c(c2CF)-n4cccc4 -Fc1ccccc1-c(c2)ccc(n23)cnc3Nc4cnccc4N5CCCC(F)C5 -n1cccc(c12)c(cn2CC=O)C(=O)CCc3ccc(F)cc3 -O=C(F)c(n1)cn(c12)c3c(cc(F)nc3)c(c2)-c4ccccc4 -n1ccc(F)c(c12)nc(cc2C(F)O)-c3ccc(cc3)Nc4ccccc4 -c1ccccc1C(=O)c(c2)ccc(c23)n(c(n3)O)CC(O)Nc4ccccn4 -CCOC(O)c1ccc(cc1)NC(=C(C2=3)C=CN3)C(=N2)c4ccc(F)cc4 -FCc1cc(CF)cc(c1)-c2ncc(n23)NNC(N3)c4ccccc4CF -CCCCNC(=O)c(c1O)cnc(n12)cc(n2)N3CCCCCC3 -NNc(c1)c(NC)cc(c12)c(-c3ccnc(F)c3)nc(c2)-c4cc(CN)cc(c4)NN -CCN(CF)CCC(=O)Nc1ccc(F)c(c12)C(=O)c3c(C2O)c(F)ccc3F -Fc1ccc(nc1)N(N2)C=Nc(c23)ncnc3NCc4cccc(F)c4F -n1cc(F)nc(c12)nc(nc2NC(F)CF)NCc3cccc(F)c3F -O=C1CCCc(c12)nc(F)c(c2)C(O)Nc3ccc(C(F)O)cc3 -c1cnccc1C(O)Cn2c(cn(c23)ccn3)-c4ccccc4 -O=C(F)NC(F)c1ccc(cc1)CC2CCN(C2)c3ccnc(n3)N4C=CC4 -NC1NCNN1c2ccc(cc2)C(C3=O)=CC=C(C3=4)C=CC4c5ccccc5 -FCCCc1ccc(cn1)Nc2ncc(F)c(n2)Nc(c3)ccc(c34)CCCN4 -FC(F)N1CCNC(C1)CNC(=O)c2ccccc2N3C(=O)CNC3O -FC1(F)CC(N(C)C)CCN(C1)c2c(ccn2C)NC(O)c3ccccc3 -CNC(F)CCCCCCNC(F)c1cnc(nc1)N(C2)CCn(c23)c(cn3)C(F)(F)F -NCNCCCC(=O)C(C)c(cc(c12)nccc2)c(c1)N3CCCC3 -Cc(n1)cc(c12)n(C)c3c2ccn(c3O)Cc4cccc(F)c4 -CCN(CC)CCN1Cc2c(cccc3)c3nc(c2c14)c(cc4)NC(C)O -Fc(n1)nc(F)c(c12)nc3c(n2)c4c(n3CC(F)Cl)cccc4 -FCc1ccc(CF)c(c1)C(N2)CNc(n23)nnc3-c4ccncc4 -CC(N)c1ccc(cn1)CC2CCC(CC2)N(C3=O)Cc(c34)cccc4C(F)C -CCC(=O)c1cc(F)c(F)cc1Nc2nc(ncc2)Nc3cccc(c3)CC(C)(O)O -Cc1cc(F)c(c(F)c1)-n(c2=O)c(=O)n(n23)CC(C)C(F)C3 -NCc1c(Cl)c(C(O)NF)nn(c1=O)-c2ccc(F)cc2 -CNCNC(C1F)Nc(c12)cccc2C(=O)Cc3cc(CN)ccc3NN -NCc1c(NC)c(NC)cc(c12)NC(O)NC2c3cc(F)ccc3F -c1ccccc1C(C2=O)=CC(C(F)NCF)=C(C2=3)C=CC3N -c1cccc(c12)c(=O)n(CNCF)c(n2)/C=C/c(c3)ccc(c34)CCN4 -Fc1ncnc(c12)cc(cc2)NC3CCCNC3 -CCC(=O)c1cc(cc(c1)C(O)CC)CC(O)C2=C(F)N=C(C2=3)C=CC3 -OC(F)CN1C(O)N/C(C1=O)=C\c(c(F)n2)cc(c23)cccc3CF -Fc1ccc(cc1)C2NC(CC(=C23)N=NC3=N)CCc4ccncc4 -CNc1ccc(cc1)C(C=2)=CC(C23)=CC=C3CNC(F)(O)c(c4)ccc(c45)NCN=C5 -O=c1n(C)cnc(n12)nc(c2)-c3ccc(CN)cc3 -CNCCN(C1)CC1(C(F)F)N(C)Cc(c(c2)NC)cc(c23)c(ccn3)Cc4cccc(F)c4F -Nc1cccc(NS)c1C2CNNC(O)N2c3cccc(c3)-c4ccccc4 -c1cccc(C2S)c1C23CN(N3)n4[nH][nH]4 -Cn1ccc(c12)cc(cc2)-c3ccc(c(O)c3)C4(C)CCCNC4O -CN(C)CCNC(O)c(c1)ccc(c12)Nc3c(C(N2)O)cccc3 -OC(F)c1c(F)nc(n1CF)-c2ccc(c(CF)c2)NCCF -c1ncnc(c12)CC(O)N2Cc3cccc(c3)CN4C=CN(CC4)c5cccc(c56)cccc6 -Cc1cc(O)cc(c1O)CCC(F)C(F)O -c1ccccc1C(=O)Nc(c2O)cnc(c23)c(ncn3)Nc4ccccc4 -NC(F)c(c1)ccc(c12)CCC(=C2)Nc3nccc(n3)-c4cncc(c4)CC -c1ccccc1-c(n(C(C)N)c2O)cc(c23)ccc3-c4ccccc4 -Cc1cc(F)c(C(F)F)cc1-c2cc(c(CN)c(n2)O)-c3ccc(CN)cc3 -c1cc(F)cc(c12)nc3c(c2O)CC(F)(Cl)OC3 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-O=C1CCC(CC1)c(c2)ccc(c23)cc4c(c3O)cc(c(n4)F)C(=O)F -CNc1cccc(c1)C23CCC(C2)N(CCO)CCN3 -FC(F)(F)c1ccc(cc1)C(N2CCN(C)CC2)c(c3N)ccc(c34)cccn4 -Fc1ccccc1C2CCN(C)CC2C(=O)NCCc(c3)ccc(c34)OCC4 -NNc1cccc(c12)C(=C(CC2)NCCO)Cc3ccccc3 -O=C1N=C(O)C(N1)c2cc(F)ccc2C(O)NCCCc3ccccc3 -O=C(F)CCc1n(C)c(C)c(c1C)C(O)c2ccccc2 -FCN(CF)CC(=O)NC1c(cccc2)c2Cc(c13)cccn3 -CC(O)c1c(C)c(C)c(nc1C)NCCc2ccc(F)cc2 -Cc1ccc(c(F)n1)C(O)N2CCCC(C2)Nc3ccc(F)c(F)c3 -FNC(=O)CNc1ccc(nc1)-c2nccc(n2)-c3ccc(F)cc3 -CCNc1cc(cc(c1F)CNC)CN2C=CC(CC2)NC(O)c3cncc(N)c3 -COc1ccc(cc1)C(O)NCC(F)c(c(n2)O)cc(c23)cccc3 -FC(C)c1cccc(c12)C(=N)C(C(N2)=N)CNc3ccccc3 -O=C(F)C(F)CC(O)c1ccccc1OCCF -FC(F)NC(=O)C1CCN(CC1)C2CCN(CN2)C(=O)c(n3)ncc(c34)cccc4F -CNc1c(NC)cc(cc1NC)N(CCF)c(c2)ccc(c23)n(C)cc3 -CC(=O)C(C(C)O)Cc1cc(C)c(O)c(C)c1O -CN1CCN(CC1)CCNCNC(O)c2ccc(cc2)-c3cccnc3 -c1ncncc1N(C2F)CCC23CCCN(C3)Cc4cccnc4 -c1ccccc1C2(NC)CCC(CC2)CNc3ncccc3NC(O)CC(F)(F)F -Cc1ccc(cc1)N(C(F)O)C(C)(CC)C(=O)NC2CCCC2 -CC(C)C(F)Cc1ccnc(c1)C(=O)/C=C2/C(=O)Cc(c23)cccc3 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-O=C(C=1)C=C(O)C(C12)=CC=C2c3ccc(C(F)(O)O)cc3 -CC(O)c1cncc(c1)C(=O)Nc(n2)ccc(c23)cccc3 -c1nccnc1NC(=O)c2cc(-c3ccncc3)ccc2CNc4ccccc4 -c1ccncc1C(CCCC(=O)C)c2cccc(c2)NC(NCF)NC(F)(C)C -c1cccnc1CNc2cncc(c2)-c3cccnc3 -OC(F)c1c(F)nn(c1F)CC(F)CNc(c2)ccc(c23)CNC3 -c1ccccc1Cc2cnc(=O)n(c2O)-c3ccc(F)cc3F -c1ccncc1C(CCC)NC(O)Cc2cccc(c2)C(C)C -c1cncn1CCNC(O)c2cn(-c3ccccc3)cc2-c4ccccc4 -C1CNCNCC1NC(=O)C2CCN(CC2)Cc3ccc(F)cc3F -CNc(c1)ccc(c12)nc(c(c2)NF)NCC(O)N3CCCNCC3 -FCCN1COCN(CC1)C(=O)c2cccc(c2)Cc3cnc(F)c(c34)cccc4 -Fc1cc(F)ccc1CNC(O)N(C2)CC23CCN3c4ncccn4 -CNc1cccc(c12)CN(CCCN2)Cc3ncccc3C(F)O -Fc1ccc(cn1)Nc2cc(F)nc(n23)cc(c3)C(F)(F)F -CNC(F)c1cccc(c1)Nc2ncnc(n2)N3CCN(NC3)c4ccc(F)cc4 -Cc1cc(cc(n1)C)NCc2ncc(n23)CCCCC3 -Oc1c(C)c(O)c(C)c(c12)C=C3C2=CC=C3 -Cc1ncc(C(C)O)n1CCN(C)CCCCn2ccnc2C(F)F -FCc1ccc(cc1)-c2ccc(o2)N(C3=O)C(=O)c(c34)cccc4 -Fc1cc(Cl)ccc1NC(=O)C2COCN2C3CCCCN3 -CCc1ccccc1NC(=O)CCN(C2O)C(O)c(c23)cccc3 -CNc1ccc(cc1)CNC(=O)CN(C(O)NCC2)c(c23)cccc3 -CC(=O)Nc(c1)ccc(c12)ncc(c2O)Cc3ccc(F)c(F)c3 -Fc1nc(ccc1)NC(=O)NCCCOc2nccc(c23)ncc(n3)F -c1ccccc1C2(CC(N)NCC2)CCNc3ccc(C)c(C)c3 -FNc1ccc(C(F)(F)C(F)(F)F)cc1CNC2CCNNN2c3ccccc3 -n1cccc(c12)nc(CCCN(C)C)c(n2)CCc3ccc(CF)cc3F -Nc1ccn(c(=O)c1)-c2nc(F)n(n2)C(F)NCc3ccccc3 -CCc1ccc(cc1)C2=NC2C(F)c3cc(CN)c(CC)c(c3)NC -O=C1NC(C(F)O)CN1c2cc(F)c(c(F)c2F)N3CCCCCC3 -CC1(C)C=C(CC(F)(F)C1)NC(F)CNc(c2)ccc(c23)ccc(n3)O -CN(C)c1ccnc(c1)N2CCN(CC2)C(O)Cc3ccccc3 -c1ccnc(c12)cccc2CN3C(=O)N(NC3)c4ccc(C(F)NF)cc4 -c1cocc1/C=C(\C(=O)C)C2=NCCN2Cc3ccc(F)nc3 -CCc1cccc(c12)/C(C(O)NN2)=C/c3ccccc3 -CNc(c1)ccc(c12)cc(N3CNCCN3)nc2CCNC(F)O -c1ccccc1Nc2ccc(cc2)NC(=O)C3(CN3)C(N)c4ccc(NC)cc4 -c1cccc(n12)nc(F)c2C(O)NNCc3ccccc3C(F)F -c1cccc(c12)CNCC2NC(=O)CNC(O)N3CCC(CC3)c4cccnc4 -CC(N1)Cc(c12)cc(cc2)C(N)(O)C -c1cccc(c12)nc(F)cc2NC(=O)Nc3ccc(CF)c(F)c3 -Fc1ccc(cc1)CNc2c(O)c(C)cc(c2)NCC3CC3c4ccc(F)cn4 -NCc(c1)cc(F)c(c12)C(NCC(F)O)c3c(N2)cccc3N -c1cnccc1-c2cnc(O)c(c2)NC(O)c3ccc(CCF)cc3 -NC1(N)N(C)C(O)C(C1)c2ccc(cn2)CCc3ccnc(F)c3 -Cc(n1)cc(C)c(c12)cc(c(n2)F)C(O)NCCO -CC(=O)NC/C(C(O)CC)=C\c1ccc(C)cc1 -FCc1cc(F)nc(n1)N2CCN(CC2F)c3ccnc(n3)C(F)F -CN(C)CCCCc1nc(cccc2)c2c(c13)nc4c(n3)cccc4 -FCc1ccc(cc1)C(=O)N(CN2)CNC23Nc4c(C(F)N3)c(F)ccc4 -NCC/C=C/c1cncc(c1)CCN -C1#CCC(C1=2)=C3C(N2)=NC(=NC3=O)CCCO -NCc1cncc(c1ON)CC2CCC(NC2)c3ccnc(C(F)(F)F)c3 -CNCC#Cn1c(nc(c12)cccc2)CNC(F)c3ccc(F)cc3 -CC(F)CNC(O)c(n1)ccc(c12)cc(cc2)Nc3ccc(C(F)(F)F)cn3 -c1ccnc(c12)c(C(=O)F)ccc2C(C)O -Nc1ccc(cc1)C(CCCN23)C(C2)NC3 -Clc(c1)cc(n12)nc(Cl)cc2NCc3ccccn3 -c1cccnc1C(O)CCn2c(F)nc(c23)cccc3 -FCNC(O)C(N1)NC1(F)c2cc(F)c(cn2)CN3CCNC3 -c1cccc(c12)nc(C(O)NCF)c(n2)Nc3ccnc(F)c3 -c1ccccc1C2=C(N)C(=CC2=O)C(=O)N3CCCCC3 -c1cccc(c12)C(O)=C(C2N)CC(O)CNCc3ccccc3 -Cc1cccc(c1)C2C=CC(=CN2)C(N)(N)c(c3)ccc(c3=4)=CC(=O)C4 -c1cccc(c12)C=C(C\2=N\C)NNCN3CCNC3c4ccccc4 -CNc1ccccc1C2NC2C(CNC)CNC -Fc1nc(cc(F)c1)C(O)NC(O)NC2c(cccc3)c3c(c24)cccc4 -N1CCN=C1c2cc(N)c(cc2)-c3ccn(c3)-c4cccc(c4)C5NCCN5 -c1ccccc1-c(c(c23)CNC2O)c4c(c3)ccnc4 -O=C1CCCC(O)C\1=C(/F)c2ccccn2 -FNC(O)CCc1cccc(c1)C(F)(F)n2ccc(c23)cccn3 -Nc1cccc(c1)N(C2N)Cc(c23)cc(cc3)-c4ccc(N)c(c4)NN -CC1=C(F)c(c12)c(CF)cc(c2)C(=O)Nc3c(F)cncc3F -c1cccc(c12)c3c(c(c2)O)c4c(C3=O)cc(N)cc4 -FCCn1ccc(c1F)-c2ccnc(n2)NC3CCNC3 -OC1NNC(N1CC(F)F)c2ccncc2-c3ccc(F)cc3 -C1#CCCCN1c2cc(NC(C)(C)C)cc(n2)CNC(O)c3ccncc3 -Nc1ccnc(c12)Nc3c(C(F)N2)cccn3 -CNc1c(NC)cc(cc1NC)CN(C2)CCc(c23)nc(F)nc3F -CN(N)CCc1cc(O)c(cc1C(F)O)NC(=O)c2cnc(F)nc2 -CNc1ccc(cc1)NC(=O)NC(N2C)=C(F)N(F)c(c23)ccc(c3)NC -Fc1cc(ccc1)CNC(=O)c2nc(nc(O)c2F)-c3ccc(F)cc3 -CNc1nc(F)ncc1-c2cn(cn2)CNCCF -CNc1ccc(CN)c(c1)NC(=O)CNC(F)c2ccc(cn2)CN3CCNCC3 -FNc1ncc(cc1)C(CO)Oc2cccnc2NF -CC(F)CN1C(=O)CNC1c2cnccc2-c3ccc(F)cc3 -Fc1cc(ccc1)CCc2cc(ccc2NC)C(O)N3CCN(CC3)c4ccncc4 -c1ccccc1NC2CC(CN)=NC2c3cc(cccc4)c4c(c35)cccc5 -Fc(n1)ccc(c12)c(ccc2N)C(CF)NCCc3ccccc3 -FCC(O)c(c1)ccc(c12)N(F)C(O)CC2 -Fc1nnc(c(F)n1)-c2ccc(C(F)(Cl)Cl)nc2 -Fc1ncc(C(=O)F)n1CC(=O)NC(F)(F)c2ccc(F)cc2 -Fc1cnc(cc1)N(CC(F)O)C(O)c2ccccn2 -Fc1c(F)cccc1N(C(O)C(=O)N)c2ccccc2C(N)O -Fc1cnccc1CCC(O)c2cccnc2C(O)c3ccccc3 -O=C(F)c1ccc(cc1)NC(=O)n(c(=O)n2)cc(c23)cc(N(F)F)cc3 -Fc(c1)ccc(c12)c(F)nc(n2)NC3NCN(CN3)CCc4ccccc4 -CCc1ncc(cc1F)-c2ccc(c(F)c2)CCC(O)NC -Fc1cc(ccc1)C(=O)Nc2cc(F)cn2-c3nc(F)cc(F)n3 -Cc1ccccc1NC(O)CNc2ncc(n2CF)CN3C#CCCC3 -CC1(N)CCC=C(N)C1c2cccc(c2)NCc3cccc(N)c3 -c1cncn1C(C)c2c(F)ccc(F)c2CNC(F)CNC(F)(F)Cl -C1CCCc(c12)nc(O)n2CC(=O)c3ccc(cc3)-c4ccccc4 -O=C(F)C(C)Nc1ccccc1Cc(n2)cnc(c23)ccc(F)c3 -FNc1ccc(cn1)-c2cnc(F)c(n2)-c3ccc(C(F)(F)F)nc3 -C1NCCc(c12)ccc(c2)C(F)CCc3ncnc(c34)nccc4 -Fc(c1)ccc(c12)c(ccn2)NCNCNCc3cccnc3 -FNCC1CN(CC1)C(O)c2ccccc2Nc3ccncc3 -FCC(=O)Nc(c1)ccc(c12)n(CF)c(c2)O -COc1ccc(cc1)CC(C2=O)NCc(c23)cc(CO)c(c3)OC -CNc(n1)cnc(c12)cc(NC)nc2CCNC(=O)CF -CN(F)CCNC(O)C(N1)Nc2cccc(c2c13)cnc3 -c1cccc(c12)nc(F)c(CO)c2NCc3ccccn3 -c1cc(F)cc(c12)cc(n2N)C(O)Nc3ccccc3F -c1cc(F)cc(c12)cc(c(n2)F)C(=O)NNCc3ccc(C(F)O)cc3 -Nc1cc(F)ccc1COc2ccc(cn2)-c3ccccn3 -Fc1cccc(c1F)NCCN(c2ccncn2)c3ccccc3 -CCc1ccc(cc1F)NCCC(O)c2cc(CC)c(NC)c(c2)NC -c1ccnc(n12)nc(F)c2C(O)NCc3ccccc3 -CCc1ncc(cc1CC)CCC(O)C2CCN(CN2)c3ccccc3 -FC1NCN=NC1c2ccc(cc2)C3CNC(NC3)C(F)(F)c(c4)ccc(c45)CC=N5 -O=C1CCC(C(=O)N1)N(C2O)Cc(c23)c(F)ccc3 -C1NCNNC1CNc2nc(C)ncc2C(O)NCCc3ccccc3 -Nc1cc(F)nc(n12)nc(c2)NCc(n3)ccc(c34)cccc4 -c1cccc(c12)nc(O)c(c2)NC(O)c3ccccc3NF -Fc1ccccc1/C=C2\NC(=O)N(C2O)CCCC(O)Nc3ccccn3 -CC1=C(N)C(C2)C=CCC12c3ccccc3O -c1cncnc1NC(F)(O)c(c2)ccc(c23)c(ncc3)NCc4cccnc4 -CCCc1nc(N(C)C)ccc1C(O)NC(C)c2ccccc2 -CC(O)Cc1ccc(cc1C(F)O)N2C(=O)CCC2=O -Fc1ccccc1NC2(CF)CC=CN(N2)Cc(c3)ccc(c34)NCCN4 -FC(F)(F)c1cc(ccc1F)NC(O)c2c(F)cc(cc2F)NCc3cccnc3 -FCNN(CNF)C(N1)NCc(c12)cccc2-c3ccccc3 -NCc1ccc(F)cc1NC(F)C(F)NCC2(CCCC2)c3ccncc3 -CCc1cc(C)cc(c1)OCC(=O)CC(O)CCC -O=COCCC(C=C1)=C(C1=2)Cc3c(C2N)cccc3 -OC(F)c1cnc(nc1C(F)CF)-c2ccc(cc2)Oc3cc(F)cc(F)c3 -O=C1CC(O)c(c12)cc(cc2)Cc(c3)ccc(c34)C(O)NC4=O -NCCN1CCNC(C12)c3c(NC2)cccc3 -c1cccc(c12)CCN2C(O)CNNCc3ccccc3NC(F)F -Oc1ccc(nn1)N2CCN(CC2)c3cc(F)nc(n3)-c4ccncc4 -c1ccccc1NC(=O)CC(F)Nc(n2)nc(F)c(c23)cc(CF)cc3 -Fc1ccc(cc1)CNC(=O)C(CNCN)Nc2nc(ncc2F)Nc3ccccc3 -c1ccccc1-c(cc2N)cc(c2=3)=CNC(C3)C(O)Cc4ccccc4 -CNC(CC1)CCC12CNC(O)c3c(C2)ccc(Cl)c3 -OCc1cc(ccc1F)C(C=2)=C(C(C23)=CC(F)=C3)CCCC(F)O -Fc1cc(ccc1)NC(O)Cc2cccc(c23)cccn3 -Cc1nn(C)c(C)c1C2CNCCN2C(O)N(CCl)CO -c1ccccc1-c2ccc(O)c(n2)CC(O)NCCCN3CCNCC3 -FNc1cc(F)cc(c12)CCCNCCCC(F)CC2=O -FC(F)CC(=O)c1nc(F)c(nc1F)NCC(O)CCc2ccccc2 -FCc1cc(CF)c(nc1F)NCCOC2CCN(CN2)Cc3ccccc3 -c1cccc(c12)cccc2CC(C3=O)NNCC34CCC(=NC4)c(c5)ccc(c56)cccc6 -Fc(n1)nc(F)c(c12)NCC(N2)c3ccccc3 -CC(=N)CCC(=N)C1CCCC1Nc2ccccc2CO -NCn1cnc(c12)c(F)nc(n2)NCCCc3ccccc3 -C1C=NCN1c2ccc(cc2N)-c3cccc(c3)Nc4cccc(c4)CC(C)O -c1ccccc1C2(CC(=N)CC2O)c3cccc(c3)-c4ccccc4 -CCN(CC)CCC(O)Nc1cccc(c12)C(=O)c3c(C2O)cccc3 -CNc1ccccc1N/C(C)=C2\C(=O)CC(CC2O)c3ccc(C)cc3 -Fc1c(F)ccnc1C(=O)NC2CNCNC2F -CNc1c(CN)c(CN)cc(CNF)c1-c2ccccc2/C=N/F -C1=NCCCC12NCC(CN2)C(C)c(c3)ccc(c34)c5c(nc4)nccc5 -c1cccc(c12)c(N(C)C)ccc2C(C)c3ccc(cn3)CN -c1cccc(c12)nc(CNC(F)O)n2Cc3ncnnc3F -CNc1ccccc1Nc2ccc(cc2)NC(=O)c3cccc(C(F)N)c3C -c1ccccc1C2=CC(N)N(C2)c3cccc(c3)C4NCNCN4 -FCCNCCNC(O)c1nccc(c12)c(F)c3c(n2)cccc3 -C1CN(C)CC12c3c(C(C2)C(O)O)cccc3 -CN(C)c1ncnc(c12)CCN(CN2)CC(O)N(C)C -NC(F)(F)NC(=O)C1CCN(NC1)Cc2cccc(c2)NC(F)Cc3cnccn3 -OC(F)N1CCCN(CN1)C2CNCCc(c23)cccc3 -CC(C)(C)OC(O)c1ccccc1-c2ccc(c(F)c2)-c3cnc(F)cn3 -O=C1C=C(O)C(C)=C(C1=2)C=C(C2)c3ccc(cc3)CCCC4CCNCC4 -c1cccc(c12)nc(cn2)N3CC(C3)Nc4nccnc4C5NCNCN5 -CCCC(O)N(C1)CCc(c12)cccc2C(=O)C3CCNCC3 -O=CCCCCn1c(F)nc(F)c(c1=O)CC(F)O -NCc(c1)ccc(c12)C(N)(C(=O)C2)Cc3ccccc3F -O=C(Cl)c(c1)c(C)cc(c12)C(O)C(CC)=CC2O -CCCc1cc(ccc1O)-c2ccc(O)nc2 -CNc1cccc(c1)Nc2nc(F)cc(F)c2C(=O)F -CC(=O)NCC1CC(=O)C(C1)c2ccc(c(F)n2)C3CCOCC3 -c1cccc(c12)nc(c(n2)F)NC(O)C3CCN(CC3)Cc4ccccc4 -c1ccccc1C(=O)c2cncc(c2)C(F)C(F)NCNCF -FN(F)c1cc(C)c(cc1CC)NC(O)CN(C)Cc2ccc(NC)cc2CF -CCNC(O)c1ccc(c(c1)CC)Nc2ncc(CF)c(n2)NC -FC1CC(C1)C(O)c2cc(CCC(C)(C)O)c(cn2)C3CC3 -CNc1cncnc1C(=O)COc(c2)cnc(c23)cncc3 -CNc1nccc(c12)ccc(n2)N3CCCCC3 -O=C/C=C/c1cccnc1NCc2cccc(c23)cccc3 -O=C(F)NC(C1(F)F)Cc(c12)c(CF)ccc2CC(F)O -CCc1ccc(cc1)OC(O)CC(C2=O)=Cc(c23)cccc3 -FCCCNCCCCCNc(c1)ccc(c12)n3c(CN2)ncc3 -Oc1cc(CC)ccc1NC(F)N2CCN(CC2)c3ccccn3 -OC(F)COc(n1)ccc(c12)c3c(n2CC)cccc3 -Cc1cc(C)c(cc1F)C(=O)COc2ccc(F)nc2C(C)O -FCCC(=O)c1cncn1N(F)c2ccc(F)cn2 -NCc1ccc(cc1)C(O)N(F)C2CCN(CO2)c3ccccn3 -Fc1cc(F)c(F)cc1C(=O)CCC(O)N2CCN(CC2)c3ccccc3 -CCCC(=O)Nc1cccc(n1)Nc2ncc(F)c(n2)Nc3ccc(F)cc3 -CN1CCN(CC1)c2cc(ccn2)CNCc3cccc(c34)NCN4 -Fc1cncc(c12)NCC(C2)CC3CNCN3 -Cn1cc(cn1)N(CC2)C(O)C23CCN(C3)Cc4cccnc4 -CNc(c1)ccc(c12)C(O)C(CN2)Cc3ccc(cc3)CCCN4C=CCCC4 -NNCNc(c1)ccc(c12)C(c3ccc(N2)cc3)C(C(N)N)c4ccccc4 -Fc(n1)c(F)nc(c12)c(cc(c2)CF)CNCCCC(=O)F -O=C(F)c1cnc(cn1)-c2ccc(cn2)C(O)Cc3cccnc3 -c1ccncc1CNC(=O)CCCCN(C2=O)C(=O)N=C(C2=3)C=CN3 -CNc1cccc(c1)-c2cccc(c2)-c3cc(O)cc(c3)C4CCCC=N4 -O=c1nc(O)n(cc1C)C2C=CC(O2)CF -O=c1nc(O)n(cc1F)CC(CN(CF)CF)NCc2ccc(F)cc2 -O=C(Cl)NCC1CN(C(=O)N1)c2ccc(C(=O)Cl)cc2F -FC(F)CC1(NF)C(O)N(C1O)c2ccccn2 -C/C=N/c1ccc(cc1)CC2NC(O)N(C2=O)CNC -CCCc1cnc(cn1)CN(C)CC(=O)Nc2cccc(c2)C(F)(F)N(C)c3ccccc3 -Fc1ccc(cc1)C(F)Nc2c(F)nc(cc2N)NCC(=O)NCc3ccc(F)cc3 -Nc1ccc(cc1)C(=O)Cc(c2)cnc(c23)cccc3 -CC(C)(C)C(O)c(c(O)c1)cc(c12)C(O)CCC2 -c1ccccc1CCc2nc(O)c(F)c(c2)NC3NCCNC3F -FC(F)(F)c1cc(ccc1)NC(O)C(O)NCC2(CCCC2)c3ccccc3 -Fc(n1)c(F)nc(c12)c(cc(c2)C(Cl)C)CNC(F)CC=O -Fc1ccc(Cl)cc1C(=O)NC2CCC(CC2)N3C(=O)CCC3O -CCc1cncc(c1)-c(c2)cnc(c23)CC(O)CC3 -Fc1ccc(cc1)C(NC(O)CF)c(c2F)cc(F)c(c23)cccn3 -FC(F)(F)c1ccc(cc1)NC(c2ccccc2)CCN3CCN(CC3)c4ncccn4 -CC(=O)Nc(c1)ccc(c12)NC(CN(C)C2O)CCN(C)C -c1cccc(c12)ccc(c2)CC(=O)CCc(c3)ccc(c34)CC(O)CN4 -Fc1c(F)cc(cc1F)N(C)Cc(c2)cnc(c23)nc(F)nc3F -CNc1cc(cc(c1)NN)CC2=NCC(C2F)Nc3cccc(n3)NC -CC(F)Nc1ccc(N)cc1C(O)NC2CCN(CC2)Cc(c3)ccc(c34)CCC4 -NCNCC(O)C(N1)Cc(c12)ccc(c2)Cc3ccc(NN)cc3 -Cc1ccc(cc1F)C(=O)CCC2CNC(CN2)c3ccccc3C -O=C(F)NC(F)c1ccc(cc1)NC2CN(C2)c3ccc(F)c(n3)C(F)(F)F -n1cc(F)nc(c12)c(cc(n2)O)CN3CCCNC3 -FNc1ccc(cc1)C(=O)Nc2c(F)nn(C(F)F)c2F -CCCC(=O)c1ccccc1NC(O)CCC -c1cccc(c1=2)=C3C(C2)=CC(=C3C)C(O)CNc4cccc(N)c4 -NCc1ccccc1N2CCN(CC2)CC(F)NCNC(O)c(n3)ccc(c34)cccc4 -Fc(c1)nc(n12)ncc(c2O)-c3ncnc(n3)NC4CCOC4 -FCCCCc1c(F)n(cc1O)C(O)N2CCC(F)CC2 -c1ccccc1C(CCF)NC(O)c2ccc(cc2)-c3ccncc3 -NNc1ccc(cc1)-n2cc(cc2CN)-c(c(O)c3)cc(c34)cccc4 -Oc1nc(C(F)(F)F)cc(c12)cc(NF)c(n2)CF -Fc1cccnc1NC(O)C2CCCN(C2)c3cccc(n3)C(F)(F)F -CNc1ccccc1CC(O)c(c2)ccc(c23)CCCN3 -FCCc1ccc(cc1)-c2cnc(n2F)NCC(F)NCC3CCCC3 -Fc1cc(F)cc(F)c1NC(=O)CNc2cc(CF)c(Cl)nc2F -Fc(n1)cc(F)c(c12)cc(cc2)C(F)NC3CN(C3)c4ncc(C(F)(F)F)cn4 -C1NCc(c12)cn(C)c2C(O)NCc3ccc(cc3)CCNF -O=C(Cl)c1c(O)cc(Cl)nc1Nc2cnc(F)cn2 -NCc1cccc(c1)CCc(c2)ccc(c23)CC(=O)CN3Nc4ccccc4 -Nc1nc(F)nc(c1F)-c(n2)ccc(c23)cccc3 -Cc(c1)ccc(c12)CC(O)C2NCC(=O)CCCc3ccccn3 -c1cnccc1NC(O)CNC(c2ccccc2)c3ccccc3 -NC(F)N1CNC(=C12)/C(C=C2)=C(\F)c3ccccc3 -c1ccccc1CNc2cc(ccc2NC)C(=O)C3CNC(NN3)c4ccccc4 -c1ccccc1CNC(O)c2ccc(cc2)-c3nccnc3F -CNCC(C(O)CN)c1ccccc1CCc2cc(C(F)(F)F)nc(n2)NCc3ccccc3 -c1ccnc(c12)cccc2NC(O)Oc3c(F)cccc3F -C1CC1NCCCN(C)C(=O)Nc2cc(F)c(cn2)CN -OC(F)c1ccc(cc1)Nc2nc(nc(F)c2NF)-c3ccccc3 -C1CNCC12C(O)(O)N(CC2F)c3ccccc3 -Cc1ccc(cc1)C(O)c2cc(C)n(c2O)-c3cccc(C)c3 -Fc(c1)cnc(c12)Nc3c(OC2O)cccc3 -NNC(=O)N(N)C1c(cccc2)c2Nc(c13)ccnc3 -CNc1cc(F)c(F)cc1C(=O)CCN2CCN(CC2)CC3COC3 -O=C(O)c1cccc(c12)ONc3c2cccc3 -CNc1cnc(C(F)O)cc1NC(O)CCc2ccc(cn2)-c3ccccc3 -Nc1ccc(cc1)-c2ccc(cc2)-c3ccccc3C(O)(O)C4C=CCC(N4)CN -CCNC(O)C1CCN(CC1)C2=C(O)C(O)=C2Nc3ccc(C)c(F)c3 -Fc(n1)ccc(c12)c(F)nc(n2)-c3cccnn3 -CCC(O)c1cc(N(F)F)c(NC(=O)C)cc1CC2CCCC2 -c1ccccc1C(O)CC(F)Nc(nc2)cc(c23)CCN3 -c1cccc(c12)nc(F)cc2C(O)NNC3OCCCNCO3 -Fc1cccc(F)c1NC(O)NCCc(c(F)n2)cc(c23)cccc3F -CNc1ccc(c(F)n1)C(O)Nc2ccc(cc2)C3CNCN3 -FNc1ccc(cc1)C(F)N(C=C2)CNC23CNN(CN3)c4ccccc4 -FCNC(=O)N1CCN(CC1)C(O)c2cc(F)cc(c23)cccn3 -C1CCCCN1CC(=O)NCCc(c(F)n2)cc(c23)cccc3 -Cc(c1)cnc(c12)C(=N)c3c(C2O)cccc3 -c1ccnc(c12)nc(nc2O)-c3ccc(N(F)O)cc3 -Cc1nc(N)c(F)nc1C(=O)Nc2ccccc2CNC(F)O -CN1C(=O)CC(C1=O)Cc2nc(ccc2O)CCc3ccncc3 -CNc1cccc(c1)C(O)NC(N=2)=Nc(c23)ccc4c3=NC(=N4)NCc5ccccc5 -CC(C)C(=O)Cc1cc(F)ccc1C2(CN2)CNC(O)C(C)C -c1cccc(c12)CCN=C2c(cc3C(NCN4)=NC4NCN)cc(c3)C5CNCc(c56)cccc6 -Oc(n1)n(F)c(=O)c(c12)ccc(c2)Nc3ccccn3 -CNc1c(CN)cc(cc1CC)-c2cccc(c2F)NC -CCCC(O)c1c(O)cc(C)cc1NC -C1=NCC=NC1c(c2)ccc(c23)CC4N(C3)CC(=O)C4 -CNCCNc1ccc(-c2ccccc2)c(c1)C3CNCNN3 -CCCC(C1=O)=C(O)C=C(C1=2)C=C(C2)c3ccc(cc3)CCC(=O)CC -CCc1ccc(cc1)C(F)(F)N2CCCC2CNC(O)C(=O)Nc3cccc(F)c3 -CN(C)c1ccc(cn1)CC(C2=O)Cc(c23)cc(F)nc3F -CNc1ccc(cc1)Nc2ccc(c(n2)N)C(O)c3c(F)ccnc3F -FCNNC(O)c1ccc(cc1)NC(O)c2cc(F)nc(c23)cccn3 -Cc1c(C)c(O)cc(c12)cc(cc2)CC3CCCCC3O -FCC1CCN(CC1)C(=O)Nc(c2)cnc(c23)n(C(F)Cl)cc3 -c1cccc(c12)C(O)c3c(C2=O)c(F)c(c(F)c3)NC -Fc1ccc(cc1)NC(F)c2cnc(c(F)c2)N3CCN(CC3)c4ccncc4 -FCNC(=O)c1ccc(cc1)NCc(n2)cnc(c23)nc(F)nc3F -C1=NCCN1CC(=O)C2CCC(NC2)c3ccccc3 -N1CCC(O)CC1c(c(c23)cccc2)ccc3NCN -CCc1cccc(CN)c1C(=O)CCc(c2)cnc(c23)cccc3 -c1cccc(c12)CN(C2O)C(C(=O)NC)Cc3ccc(F)cc3 -CNc1ccc(cc1)CC(O)NCCCc2ccc(n23)nc(C)cc3F -OC(F)NC1CNc(c12)cc(cc2)CCc3cccc(c3)N4CCCCC4 -Fc1ccc(cc1)CNc2n(CCCN(C)C)c(nc2)-c3ccncc3 -c1cc(F)c(n12)nc(C3CC3)cc2C(=O)OC -Cn1ccc(c1)NC(O)c2ncn(c2Cl)Cc3cccc(C(F)(F)F)c3 -Cc1ccc(cc1C)-c2ccc(c23)c(O)n(cc3)CCN -NCC1Cc(ccc(c2)N)c2C(=O)C(N13)C=NC3 -CCc1cc(N)c(C(C)N)cc1C(O)(O)n2cnc(C)c2 -Fc(c1)c(F)cc(c12)c(cc(n2)O)CN3CCOCN3 -Fc1cc(N)cnc1NCCNC(F)(F)c2cccc(c23)cccn3 -c1ccccc1C(C(F)O)N(C2)CCc(c23)nc(F)nc3 -CNc(c1)ccc(c12)n(cc2)CC(O)N3CCCC3Cn4cccn4 -Nc1nc(F)cc(n1)C2CNCN(C2)Cc3c(N)cncc3F -CNCCCCc(c1F)c(F)nc(n12)nc3c2cccc3 -CC(N)CC1=CC(C(C)C(=O)CCC)=C(C1=O)c2ccccc2 -CNc1ccc(cc1NC)C2NC(=NN2C(F)O)c3ccc(F)cc3 -OCCCC(=O)c(c(O)c1)nc(c12)cc(F)cc2F -c1cccc(c12)c3c(cc2N)C(=O)C(=C3)/C=C4\NC4 -c1cccc(c12)nc(n2CC(F)N)NCNCNc3ccccc3 -OC(F)c(nc1)c(n12)ncn(c2=O)-c3cccc(CF)c3 -CC(C)NCc1cc(c(F)cc1F)C2(C)CCNC(N)N2 -c1cccc(c12)C(NC)N(C)C2CCCNCCO -c1cccc(c12)C(O)(O)c3c2c4c(cc3)cc(cc4F)C(Cl)O -Cc1ccc(cc1)CC2CC(O)c(c23)c(O)cc(c3)C -C1CNCN1c2ccc(cc2N)-c3cccc(c3)Nc4ccc(cc4)C5CCNCC5 -CNC(O)c(c(n1)O)cc(c12)ncc(c2)CCCOCCF -NC1N(C)c(c12)cc(cc2NC)CC(C(F)F)c3ccc(CN)cc3 -c1cncn(c12)cc(c2C(C)C)C(CCC)CCN3CCC(O)CC3 -c1cncn1C(NCN(C)C)c2cc(F)ncc2NCC(F)F -C1CCNCC1CN2C(=O)N(CC2)c3cccc(F)n3 -FN(F)c1cc(NF)c(CF)cc1C(=O)Nc2c(F)cc(F)cc2F -FNc1ccc(C(=O)NCCF)c(c1)NC(O)c2cnccc2C -c1cccc(c12)C=CC(N2)NCNNC(O)C(N)(N)Cc3cccc(c34)cccc4 -Fc1ccc(F)c(c12)C(O)c3c(C2=O)c(F)cc(c3)C(F)O -FNc1cc(NF)ccc1C(=O)Nc2ccc(cc2)CNC(F)N3CCCNC3 -FCN(NF)c1c(N(F)F)cc(cc1)C(=O)Nc2cccnc2 -Fc1cc(F)ccc1C(=O)NC2CCC(CC2)Cc3ccccn3 -Nc1ccc(cc1)C(N2)COc(c23)cc(F)cc3 -c1ccccc1C(F)Nc2cccc(c2)-c3ccc(CN)c(c3)CC4CCNCN4 -c1cncnc1CNC(CN)c2cccnc2Nc3ccc(F)cc3 -FC(F)c1ccc(cc1)C(O)Cn2cnc(c2)-c3ccncc3 -O=C(O)CN1C(=O)OC(C1=O)Cc2ccc(nc2)CCc3ccncc3 -CNCN(CNC)C(NN1)N=c(c12)ccc=3c2C=CC3 -FCNc(c1)ccc(c12)ncc(c2F)C(O)NCNc3ccncc3 -N1CCNc(c12)ccc(c2)NC(F)c3c(F)n(cn3)Cc4ccccc4 -c1cccc(c12)c(O)c3c(n2)cc(cc3)CCC4(F)CNCCN4 -c1ccccc1NCC(C(O)C=2)C(C23)=CC4=C(C3=O)C=CC4 -ClC1(C)CC(C)CN(C1)C(=O)Nc2cc(C(F)(F)F)ccc2O -Cc1cc(F)cc(F)c1C(F)(O)N(C)CC(O)N2CCCCC2 -N1=CCCC1CNc2cncc(c2)-n3ccc(c34)cccc4 -Fc1ncnc(c12)n(cn2)CCNCCNc3ccccc3 -CCCCn1c(F)cc(c1F)C2CNC(NC2)Nc3ccccc3F -FCc1cc(NF)ccc1-c2cncc(n2)NF -OC(F)Nc(c1)ccc(c12)Nc3c(C=C2)ccc(n3)F 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-C1CCn(c12)c(O)c3c(n2)cc(c3C)C(O)Nc4cccc(C(F)(F)F)c4 -CN(C)c1ccnc(c12)cc3c2ncn(c3N)-c4ccc(CN)cc4 -C1CCCn(c12)c(O)c3c(n2)cc(c3C)C(O)NCCc4ccc(CN)c(c4)CN -c1cccnc1CNC(=C)CN(C2=C)N=Cc(c23)c4c(cccc4)n3Cc5ccc(F)cc5 -CC(C)CC(N)Cc1cccc(c1)-c(n2)cn(c23)cccn3 -c1cccc(c12)cccc2Cn(cn3)c(N)c(c34)c5c(c4)CC(CC5)NCc6ccncc6 -C1CCN(C12)c3c(CC2)cc4c(n3)N(C=C(C4=C)C(=C)C)Cc5ccc(CN)cc5CN -NCCC(C)c1ccnc(c12)cc3c2ncn(c3N)-c4ccc(Cl)cc4 -C=C1CCC(CN1)Nc2nc(-c3ccc(C(C)(C)C)nc3)cc(c24)N=CN(C)C4=C -C1CCCC12c3c4c(CC(C)(C)CC4N)nc(C(C)C)c3C(N2)c5ccc(cc5)C(C)(C)CN -C=C(O)c1cccc(Cl)c1C(N=2)=NC(C23)=c4c(=NC3=O)cc(cc4)-c5ccccc5 -c1ccc(c2c13)c(=C)n(c(=C)c2ccc3)CCCCc4nnc(-c5ccncc5)n4-c6ccc(CC)cc6 -c1ccccc1Cc2c(NC)nn(c23)c(CN)cc(n3)-c4cccnc4 -CCc1ccccc1-n(c2O)cnc(c23)c4c(c3)nccc4N(C)C -c1cc(Cl)cc(c12)C(=N)c3n2ccc4c3nc5c4cccc5 -C1CCCn(c12)c(O)c3c(n2)cc(c3C)C(O)NCc4ccccc4Cl -CC1CCN(CC1)C(O)c(c2C)cc(c23)ncn(c3O)CC(O)N4CCN(CC4)c5ccccn5 -C=C(C)CN(C(=N1)C)C(=C)c(c12)c3c(ccc(c3)CN)nc2-c4ccc(C)cc4 -N=C1N=Cc(c12)n(C3CC3)c4c(c2=N)cc(F)c(c4)-c5ccc(cc5)CCN -Cn1cc(cn1)-c(c2)cnc(c23)cc4c3n(CCC5CCCO5)c(O)nc4-c6ccncc6 -CN(C1)CCc(c12)c3c(c2)ncn(c3N)CCN4CCN(CC4)c5ccccc5Cl -C1CCCCN1CC(=NC2=N)N=C(C2=3)C=C(C3)c4cn(c(c45)cccc5)Cc6ccccc6 -CCc1ccnc(c12)C(N)c3c4c2nccc4c(cn3)CC -C=C(C)C(C1=C)=CN(C2CC2)c(c13)nc(c(c3)C)C4=CC(N)CC4 -C1CCCCc(n12)nc3c(c2O)cc(N)c3C(O)CCCCN4CCCCC4 -C1CCCCn(c12)c(O)c3c(n2)cc(c3C)C(O)Nc4ccccc4 -Cc1ncc(cc1)C(N)N(CCCN)C(CC)c(nc(c23)ccc3)n(c2N)Cc4ccccc4 -CCCc1cc(cnc1CN)-c(c2)ccc(c23)ncnc3NCCN(C)C -c1cccc(c12)c3c(n2)c(N)n(-c4cc(ON)ccc4)c(n3)CCc5ccc(F)cc5 -C=C(N)CCc1c(CCC2)n2c(c13)c(=C)c(C)c(c3=C)CN -FC(F)(F)c1c(Cl)c(ccc1)CN(C(C2)C3CC3)C(N)c(n24)ccc4-c5cnccn5 -C1CCCC1NC(=C)CCn2cnc(c2)CCC(=C)C(C)n3cnc(c34)N(C)C(=C)N(C)C4=C -Cc1cccc(C)c1-n2ccnc2C(C3CC3)N(CC4)CCC45C(O)NCN5c6ccccc6 -C1CCCN1CCNC(N)c(c2OC)cc(c23)c4c(cccc4)n(c3N)CC(N)c5ccccc5 -Cc1ccc(cc1)C(O)N(CCCN)C(CC)c(nc(c23)ccc3)n(c2O)Cc4ccncc4 -CC(C)C(N1)Cc(c12)c(N)c3c(c2)N=C4C(C3=N)=c5c(=N4)cc(N)cc5 -N=C1N=Cc(c12)n(C3CC3)c4c(c2=N)cc(F)c(c4)-c5cccc(c5)CN -COCCNC(C1)CCc(c12)c3c(c2)ncn(c3N)Cc4cccc(c4)-c5ccccc5 -CCc1ccc(cc1CC)-c2nn(C)c(c23)CC(N)=C(CN)C3c4ccccc4 -CN1CCC(C1)n2cc(c(c23)cccn3)CC4=C(Cl)NC(N45)CN=C5 -Cc(c1)cc(c12)n(CC)c3c2cnn(c3O)CC(O)Nc4c(C)nn(C)c4C -CCCCNC(N)CCc(n(CC)c1N)nc(c12)cc3c2CCCC3 -COc1cccc(c1)Cn(c2O)cnc(c23)cc4c3CCC(C4)NCc5ccc(OC)nc5 -Cn1cnc(c12)cnc3c2c4c(c3)c(O)n(cn4)-c5ccc(F)cc5 -NCc1cc(CN)ccc1NC(=C)CCC(C(=C)N2C)=Nc(c23)c(C)nn3-c4ccc(C)cc4 -NOCCN1CCC(CC1)CNc(n2)ccc(c23)ncn3-c4cccc(c4)OC(F)(F)F -CC1(C)CC(C)C(C)N(C1=C)c2cc(ccc2CN)-c3cc(Cl)c(n34)c(N)ncc4 -C=C1N(C)C(=C)N(C)c(c12)nc(n2CC(=C)CCN)CC3CCCCC3 -c1cccc(c12)c3c(c(=N)n2CCN)c4c(C3=N)cc(cc4)CCCN -O=C1CC(=O)NC12n3c(ccc3)C(=O)C(C2=O)Cc4ccc(F)cc4 -CCn(c1)n(CC)cc(c12)n(C)c(c(F)n2CNC)C(F)Cc3ccc(cc3)C(F)CCNC -CCc1c(CC)ccc(c12)C(CC2=O)c3c(C)n(c(CN)nc3=O)-c4ccccc4 -COc1cccc(c1)CNCc2cnc(n23)ccc(n3)-c4cnc(N)c(c4)C(C)(C)C -c1ccc(c12)c(O)n(C)c3n2c(nn3)CCC(O)N4CCN(CC4)c5ccc(F)cc5 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-Cc1ccc(nc1)C(=O)Nc2cc(c(C)cc2C)C3(C)CC(CC(=N3)N)c4c(C)noc4C -CCNC(=O)Nc1ccc(cc1)-c2nc(N3CCCCC3)nc(c24)CC(C)(C)CN(C4=O)CC -Cc1ccc(n12)C(CC)N(CC2)C(N)Cn(c3N)cnc(c34)cc(c4)C -C1CC1CN(CC2CC2)C(=N3)N(C)C(=C)c(c34)c(cn4C)-c5c(N)cc(N)cc5N -Cc1ncccc1-c(c2)ccc(c2C34CCC(=N3)N)Cc5c4cc(nc5)-c6ccccn6 -C1CCC(N)=NC12c3c(c(F)cc(c3)CC)Cc4c2cc(cc4)NC(F)c5ccc(cn5)CN -CCc1ccc(cc1)CC(O)CCCc2nnc(n23)n(CCCON)c(O)c4c3ccc4 -CCNC(O)c1ncn(-c2cc(C(C)C)c(O)cc2O)c1-c3ccc(cc3)CN4CCCC(O)C4 -C1CCNCCN1c2cc(OC)c(cc2)-c(n3)nc(c34)c(C)nn(c4O)C5CCCCC5 -NCc1ccc(cc1CN)C2C(C(C)CCC)=C(C)Cc(c23)nc4c(c3N)CCCCC4 -n1cncc(c12)c(cn2C(C)(CO)CO)C(O)c3cncc(c3)CC(O)Cc4ccc(Cl)cc4 -NC1CCC(CC1)Nc(c2)ccc(n23)ncc3-c4cnc(nc4)Nc5ncccn5 -CCCCNC(=N)Cn1c(=N)c(C(=N)NC)c(O)c(c12)ncc(c2)Cc3ccc(C)cc3 -CNc(n1)nc(C)c(c12)C=C(c3ccc(CN)nc3)C(=C)N2CCC4CC4 -CC(=O)C(C1=O)=C(C)C=C(C12C)Cc3c2c(CN)cc(CN)c3C(=O)N(C)C -c1cccc(c12)c3c(c2)c(N)n(CCN(CC)CC)c(n3)CCC(N)NCc4ccccc4 -NCC(=C)NC1CCN(C1)c(c(F)c2)nc(c23)N(C4CC4)C=C(C3=C)C(=C)C 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-C=C(C)CCc(n1)nc(n12)ccc(c2)-c3cnc(CN)c(c3)CCc4ccc(F)cc4 -Cc1ccccc1NC(=O)CCc2nnc(-c3ccoc3C)n2Cc4ccco4 -CCc1ccc(cc1)-n2ccnc2-c3cnc(nc3C(F)(F)F)N4CCCC4 -c1ccccc1C(=O)NC(C2c(cc3)ccc3F)C(=O)CC(=C24)CCCC4=O -CC1=NC(C)(C)Cc(c12)cc3c(c2)c4c(C3N)cc(N)cc4N -Fc1cnc(cc1)N(CC2)C(N)c(c23)ccc(n3)CCc4cccc(F)c4 -CCOc1cc(C)nc(c12)OCC2CC(N)Cc3cccc(C(F)(F)F)c3Cl -Oc(c1)ccc(c12)oc(O)c3c2c4c(n3)cc5c(c4)OCO5 -c1ccncc1C2C(CN)=C(N)Cc(c23)c4c(cc3)cccn4 -CCC(O)c(c1C(O)O)nc(n12)CCc3c2cccc3 -Cn1ccc(c12)c3c(cc2)c4c(CCC3C)cc(CN)c(CN)c4CN -C=C1C(=C)C(C)Cc(c12)c(n(n2)CN)Cc3ccccc3 -CCC(=O)C1CN=NC1n2cnc(c23)c(C)ncn3 -CCc1ccc(cc1)-c(c2C)nnc(n23)nc4c3cccc4 -CC(C)CC(CO)Nc1nc(nc(c1=2)=NC(=O)C2)CCc3cccc(F)c3F -Cc1ccc(cc1)-c(n2)cnc(c23)ncnc3C -CCc1ccc(cc1)-c(c2)cnc(c23)NCCC(N)C(C3)C4CC4 -c1ccccc1C(C2(C)C)N(C(O)C2)C3CCC(CC3)c4cnc(O)c(c4)-c5ncccn5 -c1ccccc1Cc2ncnc(c23)n(cn3)C(CC4)CCc(c45)cccc5 -c1ccccc1C([N+]([O-])(O)O)c2ccc(cc2)-c3ccccc3 -CC1(C)C(N)C(C)=C(O)c(c12)c(N)cc(c2)-c3ccc(C)c(c34)cccc4 -COc1cccc(OC)c1CCC(N)C(C)(C)C(N)CCc2c(OC)cccc2OC -Cc1ccccc1C(=O)C2=CN=C(C2=3)C(=O)N=C(N3)N -c1cccc(c12)cc(c(=N)n2C(C)C)C(=N)NC(CC34)CC(CC3)N4CCN5CCCCC5 -Cc1ccc(cc1)-c2ncc(C(N)CC(CO)C(C)C)nc2-c3ccc(C)cc3 -Cc1ccc(c(n1)C)CCC(=O)Cn(c2=O)c(C)cc(c23)CC(C(=O)C3)CC4CCC4 -c1cccc(c12)c(c(C(=C)O)c(=O)n2CN)NCCCn3ccnc3 -NCc(c1)ccc(c12)nc(cc2C(=C)CN)-c3ccc(CN)cc3 -c1ccc(c12)c(nn(c2N)C(C)C)-c3ccccn3 -Oc(n1)nc(O)c(c12)C(C(=C(C2)C)CN)c3ccc(F)cc3 -c1cccc(c12)C(=N)N(CCC)C(C2C(=N)O)c3ccc(cc3)OCc4ccccc4 -CCn(c1O)c(O)nc(c12)cc(c2C)-c3ccccc3 -CC(=O)N1CCC(CC1)CCc2c(C(=O)NC)c(nc(n2)CN)NCC(CC3)CCC34CCC4 -c1cccc(c12)C(=N)N(CCC2)CCN3CCC(CC3)N4C(=N)Cc(c45)cccc5 -Cc1nc(Cl)nc(c12)n3c(n2)Cc4c(C3)cccc4 -CC(=O)c1ccc(cc1)CC(C2(NC)NC)N(C2=O)C(=O)CCc3ccccc3C -CCCC(=O)NCC1CC(=O)N(C1)c(c2)cc(F)c(c23)N4C(CC3)CCC4 -Cc1cc(CN)ccc1-c2nccn2-c3cc(CN)c(CN)c(c3)CN -Cc1ccc(cc1)CN2C(=O)c(cccc3)c3Cc(c24)ccc(c4)C(=O)N(CC5)CCC56OCCO6 -NCc1cc(CN)cc(c1)C(O)Nc2ncnc(c23)CCC3 -CCCOc1ccc(cc1OC)-c2nc(nc(O)c2CN)CCc3ccccc3 -NC(O1)(N)Cc(c12)ccc(c2)-c3cncn3CCCC4CC=CO4 -CC(=O)c(c1=O)cnc(n12)C(OOC2C)Cc3ccccc3 -CNc1ccc(cc1)C2(N)NC(N)C(c(c3)cc(NC)c(c34)NCN4)=C2Cc5ccccc5 -NCCCc1cc(Cl)cc(c12)C(N)CC(O2)CCc3cccc(c34)cccc4 -Cc1cc(C)c(c(C)c1)-n2cnc(c23)c(nc(n3)C)CCCCN -CCCc1cc(C(O)CC)cc(CCC)c1OC(C)(C)C(O)O -CC1=CC(=O)C=C(CN)C12Cc3c(C2=O)c(CN)cc(c3Cl)CN -CC(C)(C)CCc(c1)ccc(c1C23CCC(=N2)N)Cc4c3cc(cc4)-c5cncnc5 -CCc1ccccc1CNC(O)c(c2O)cnc(n23)cc(n3)N4CCCCC4 -OCCn1ncc(c12)c(ncn2)CCc3ccccc3 -Cc1cc(ccn1)NC(=O)C(C(O)CC2)c(n23)nc4c3cccc4 -CC(=N)c1cccc(c1)NC(=N)CN(C(=N)N2)C(=N)C2(C)c(c3)ccc(c34)CCCCC4 -c1ccccc1C(C(=N)O)CC(=N)c2cc(nc(c23)cccc3)-c4ccccc4 -NCc(c1)ccc(c12)C(CNC2)c3nc(Cl)nc(c34)nccc4 -CCc(c1)cnc(c12)C(CC)c3c(C(C2=O)C)cccn3 -Nc1cc(ccn1)-c(c2)ccc(c23)ncc4c3n(cn4)C(N)c5ccccc5 -CCc(n1)cc(CC)n(c12)cc(-c(cc3)ccc3CC)c2CC(N)N4CCC4 -CCCC(=O)CCn1c(=O)c(c=2c(c13)cccc3)=CN4N(C2)CCC4 -C1CCN(C12)c3c(CC2)cc(cc3C)N4CC(CC4=O)CNC(=O)CCl -CC(C)c1ncnc(c1C)Cn2cc(C(N)CCCF)c(c23)nccc3 -Cc1c(C)cccc1N2CCN(CC2)C(CC)c3nccn3-c(c4)ccc(c45)OCCO5 -Clc1ccc(cc1)-c2[n+]([O-])cn(C(=O)C)c2-c3ccncc3 -O=C(N1)COc(c12)ccc(c2)C(=Nn(c34)ccn4)C(C3)c5ccccc5 -NCc1c(CN)cc(cc1CN)C2c(c3NC(N24)CCC4=C)cc5c(c3)CCCC5 -Cn1nc(C2CC2)cc1NC(=N)C3(N)CCN3C(=N)Cc4ccc(cc4)-c5ccccc5 -C1CCNC1CC(=C)CCC(=C)c2c(cc(C)cc3)c3nc(c24)[nH][nH][nH][nH]4 -C1CCCCN1C(O)c(nc(n23)cccc3)c2CNCCCn4cnc(c45)cccc5 -CC(C)Cn(c1O)c(O)nc(c12)nc(n2)-c3cnn(c3)Cc4cccc(C(F)(F)F)c4 -Cc1ccc(cc1C)-c(n2)cnc(c23)c(C)ncn3 -c1nc(N)nc(c12)nc(CC(=O)CC(C)(C)C)c(c2)-c3cccc(Cl)c3Cl -n1cccc(c12)C(N)N(c3c(C2)ccc(c3)C)CC(N)NCc4ccc(CN)cc4 -CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=NN=C(C3=4)C=C(C4)C(=O)NC(C)(C)c5ccccc5 -Nc1ncnc(c12)cc(cc2)-c3ccc(cc3)CC(N)C4(CCC4)C(N)Cc5cccc(F)c5 -C=C(N1)C=Cc(c12)ccc(n2)CNC3CCC(CC3)C(=C)Nc4ccnc(c45)ccc(n5)CN -c1ccccc1C(c2ccc(Cl)cc2)NC(=N)CNC(=N)c3ccccc3 -Nc1ncc(cc1)CCc2c(ccnc2CC)-c3ccc(c(F)c3)C(=N)N(CC45)C(C4)CN5C -OCCCC(O)c(c1O)c(O)nc(c12)cc(cn2)Cc3ccc(F)cc3C(F)(F)F -NCc1ccc(cc1CN)-c(n2)cnc(c23)ncnc3NC(O)C4CCCCC4 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-Cc1ccccc1NC(C)c2cc(C(=N)N(C)CCN)cn(c23)c(=N)cc(n3)N4CCNCC4 -CC1=CC(=N)C=c(c12)c=3c(cc2)C=C(C)C3CN(C4=N)C(=N)c(c45)cccc5 -Clc1cc(cc(Cl)c1)N(C(=N)C2)C(=CCC(C3)CN)C23c4ccccc4 -Nc1ccc(c12)nc3n(c2O)CCN(CC3)Cc4ccccn4 -CC(=O)NCC1CC(=O)N(C12)c3c(CC2)cc(cc3)C(=O)C -c1ccncc1C2CC(C)=Nc(c23)n(nc3O)C4CCCC4 -ClC(=C1)C=C(C1=2)C=C(N2)C(=O)NC(C(=O)N3CCO)Cc(c34)cccc4 -CCCC(N)c(c1)ccc(c12)n3c(n2)C=CC3c4c(F)cccc4F -CCC(O)c(c1C)cc(c12)ncn(c2O)CC(O)N(C)C3CCCCC3 -CC1CCCCC1N2C(=O)N=c(c23)cnc=4c3C=CN4 -C=C(C)C1CC1C(=C)c2ncc(cc2CN)N(CC3CC3)Cc4cc(Cl)cc(c45)CNC5 -C1CCCCC1n(c2N)c(=N)nc(c23)C(CC3)NCCc4ccccc4 -Cc1ccc(cc1CN)-c(c2)ccc(c23)C(=N)Nc4c(N3)cccc4 -C123C45C6(C14C256)C7CCN(C7)C8CN(C8)C(=O)c9ccc1c(n9)ccc(c1)Oc1ccc3cn1 -FC1CNCCCC1Cc2cccc(c23)ccc(n3)-c4nnc(n45)cccc5 -c1cccc(c12)n3c(nc2C)nc(c3)-c4ccc(N)cc4 -CN1CCN(CC1)C(O)c2ccc(cc2)-c(c3)cc(c34)nc(n(C)c4O)NCc5cccnc5 -c1cccc(c12)nc(c(N)c2N)-c3cn(-c4ccccc4)nc3-c5ccc(F)cc5 -CCc1ccc(cc1)C(C=2CN)CC(=O)N(C23)CN(CC3)c4ccccc4OC 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-CCCc1cc(N)nc(c12)cc(cc2)NCC(N)N3CCC(C(N)N)CC3 -C1CN(C)CCC12N(CN(C2O)CC(C)O)c3ccccc3 -c1ccccc1C(=N2)C(=C(C23)C(=O)N=C(N=3)N)CCc4ccccc4 -Cn1c(=N)n(C)c(c12)cc(cc2)NC(=N)CCc3cc(CN)ccc3CN -COc1ccc(cc1)C2=NN(C3=NC(=O)CC3)C(C2)c(c4)ccc(c45)cccc5 -COc1ccccc1NC(=O)c2cnc(n(C)c2=O)CCC(=O)N3CCOCC3 -c1cccc(c12)n3c(nc2O)cc(n3)C(O)NCCCN4CCCCC4 -Cc(c1)c(C)cc(c12)N(O)C(CN)=C(N2O)c3ccc(F)cc3 -CCCC(N)c1cnn(-c2ccc(Cl)cc2)c1NC(N)c(c(N)c3)cc(c34)cc(C)cc4 -n1ccn(c12)c3c(nc2C)cc(C(C)(C)C)c(c3)-n4ccnc4 -Clc(c1)ccc(c12)NC(N)NC2(C3CC3)/C=C/c4ccccc4 -C=C1CC(C)(C)CC(=C12)CC(N)=C(CN)C2c3ccccc3CC(=C)N4CCCCC4 -Cc1ccc(C)c(c12)N(CCC2)C(N)c3cn(nn3)CC(N)N(C)C -Cc1ccc(cc1)-c2nc(N)nc(C)c2CN -NCc1cnc(cc1)C(=C)Nc2ccc(C)c(c2)C3(C)C=C(C)CC(=N3)N -NCc1cnc(cc1)-n2nc(CCN)c(c2N)Cc3ccccc3 -c1cc(F)ccc1C2C(C(=C)CCCCN)=C(C)NC(=C23)CC(CC3=C)c4ccc(CN)c(c4)CN -CNc1ccc(cc1)-c(c(N)c2C(N)N)nc(c23)c(C)c(C)cc3 -Fc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)-c4ccco4 -CNc1cccc(NC)c1C2CCCCC(N)N2Cc3cncc(c3)-c4ccccc4 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-Cc1ccc(cc1)C(CC2)=Nn(c23)c(nn3)-c4ccncc4 -Cc1ccc(cc1)C(N)C(C)Nc(c2)ccc(c23)ccc(n3)N -C1CCCC1NC(=O)CCc2n(-c3cc(OC)ccc3)c(nn2)Cc4cc(O)nc(n4)O -c1cccc(c12)C(O)C(O)N2Cc3ccc(Cl)cc3 -c1cccc(c12)cccc2Cn3ncc(C)c(c3=N)C(CN)c4ccccc4 -NCc1cccc(CN)c1C2CCCC(=C)N2Cc(c3)ccc(c34)n(C)c5c4cccc5 -COc1ccc(cc1OC)CCNC(=O)CN2C(=O)CCC2c3ccccc3 -NCc(c1)c(CN)cc(c12)CCN(C(=C)c3ncccc3)C2CCc4ccc(CN)cc4 -NCc1ccc(cc1)-c2ccnc(n2)NCCc3ccc(CN)c(c3)CN -c1cccc(c12)nc(nc2N)CCCC(N)NC3CCc(c34)cccc4 -CCCC(=N)c1cnc(c(c12)cccc2)NCc3ccccc3CN -Fc1ccccc1C(C)Nc2nccc(n2)N3C(=O)CCC3C(C)C -CCCC(O)Cc1nn(C)c(c12)cc(O)cc2C -CN(C)c1ccc(cc1)-c2c(N)ncnc2/C=C/c3ccc(nc3)N4CCOCC4 -Cc(n1)cc(C)c(c12)c(O)n(c2)CCCC(O)NC(C)(C)C -c1ccccc1-c2nnc(n2C)CCc(n3)cc(N)c(c34)cc(Cl)cc4 -CNc1cc(NC)cc(c1)-c2cn(nn2)-c3ccc(N)c(c3)C(N)NCCc4ccc(F)cc4 -CCCCC1CN(C(O)N2CCCC2)Cc(c13)cnn3CC -NCc1ccccc1C(=C)Nc2ccc(cc2)CCC(N=3)=CC(=C)N(C34)C=CC=C4C -CCCC(=O)c1cnn(C)c1NC(=O)NCc2ccccc2 -NCc1ncc(cc1)N(CC)C(O)c2cnc(cn2)-c3ccccc3C -c1ccccc1N(C(=N)C(C23)CCCC3)N=C2c4ccc(CN)c(c4)CN -CC(C)(N1)CC(N)c(c12)c(N)cc(c2)NCc3ccncc3 -c1cccc(c12)n3c(c2)nc(c(C)c3N)C(N)NCc4ccc(F)cc4 -c1cccc(c12)C=C3C2=NC(=NC3=O)c4ccccc4 -Cc1nccc(n1)-c(c(C)c2C)cc(c23)c4c(c(c3)N)CCCC4 -CC1CN(CC1C)c2ccc(C)c(c2)-c3ccnc(n3)N -C1CCCCC1c2ccc(cc2)NC(=N)CN3CCC(CC3)N4C(=N)NCc(c45)cccc5 -CNc1ccc(cc1)-c2cnn(CC)c2-c3ccc(N)cc3N -CCCCCn1nncc1Cn2ncc(c23)c(C)ncn3 -Cc1ccccc1Cc2nn(c(nn3)C(N)O)c3c(c24)cccc4 -Cc1ccc(cc1)C(N)c(nc(c23)cccc3)n2Cc4cccc(c4)NC(C)(C)C(N)N -Cn1cccc1Cc2nnc(n2-c3ccc(C)cc3)CCC(O)NCc4ccco4 -c1ccccc1C2=C(C(=C)C)C(C(=C(C2)N)CN)c3ccccc3C -NCc1c(F)ccc(F)c1C2CC(F)C(=N)N2Cc3ccc(CC(F)(F)F)cc3 -CCc1cccc(c1)NC(=O)C(C=2N)=CC(C23)=NC(=O)C(=C3)C(=O)C -c1cccc(c12)nc(cc2C)CCC(=O)N(C)CC(=O)Nc3ccc(F)cc3 -COc1ccccc1/C=C/c(c2)ccc(c23)N=C(CO)C4C3=NCC4 -c1cccc(c12)nc(NCCCC)c(n2)C(CN)C(N)(N)c3ccccc3 -NCc1ccc(cc1CN)NC(=C)c(c2)ccc(c23)c(=C)n(c3=C)C4CCN(CC4)C(=C)CCC -NCc(c1)c(CN)cc(c12)ncc(CN)c2Nc3cccc(c3)NO -CC(N)Nc(c1)ccc(c12)cc(c(c2N)CC)-c3ccccc3F 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-C1CCC1n2nc(cn2)C(=C)NC(C(=C)NC3(CN)CC3)Cc4ccc(CC(F)(F)F)c(Cl)c4 -COc1cccc(c1)-n2c(CCc3cccnc3)nnc2Cc4cc(O)nc(n4)O -NCc1cccc(CN)c1C2CCC(N)N2Cc3cnc(CC(F)F)c(Cl)c3 -NCc(cc1)cc(c12)C(C(C)C(C2)(C)C)n3ncccc3=O -CC(C)(C)c1ccc(cc1)N2C=C(C(N)NC)C(C(=C2N)CN)c3ccccc3F -CCCNC(N)C(=N)c1c(cc(n12)cccc2)-c3ccc(Cl)cc3 -NCc1ccccc1Cc2nc(C)nc(c2)N3CCC(CC3)Cc4ncc(C)c(n4)N -CCCc1cccc(c1)C2NC(C)=NC(C)=C2C(=N)Nc3ccccc3 -NCc1cc(ccc1)C(=N)N2CCN(C(=N)c3c4cccc3)C24c5ccc(Cl)cc5 -CC(=N)C1CC1C(=N)c2ncc(c(n2)CN)N(CC3CC3)c4cccc(c45)cccc5 -CNc(c1N)c(N)cc(c12)C(N)C3=C(C2N)CCCC3 -c1cccc(c12)cccc2N(CCC)c3nccc(n3)-c4c(CN)cc(CN)cc4CN -Nc1ncc(cc1)/C=C/c2c(ccnc2CC)-c3ccc(c(Cl)c3)C(N)N4CCN(CC)CC4 -Cc1ccc(n12)ncc(c2O)C(O)N3CCN(CC3)Cc(c4)ccc(c45)OCO5 -NOc1cccc(c12)N(C(N)CC2)CCCN3CCN(CC3)c4cccc(N)c4 -CCCN1CCN(CC1)C(N)c2ccc(cc2F)-c3ccnc(CC)c3/C=C/c4ccc(N)nc4 -CNc1ccc(cc1)C2C=C(C(N)N)NC(=C23)CC(C)(C)CC3N -c1ccccc1CN(C)Cc(n2)nc(c23)c(O)nc(O)n3C -Fc1ccc(cc1)N2C=C(C(=O)CN)C(C(=C2N)CN)c3ccccc3 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-NCc1cc(ccc1)C2C=CCC(=N)N2CCCNc3ccnc(c34)cc(Cl)cc4 -CC(=N)c1cccc(c1)NC(=N)C(=N)C(C(=N)c2ccccc2F)C3CC(=N)c(c34)cccc4 -C1CCC1CN(CC2)C(=N)c(c23)ccc(n3)NCc4cccc(F)c4 -c1cccc(c12)CCN(C2)CC(C)CCc3cccc(c3)N(C)C(N)c4cncn4C -N=C1CCCc(c12)cccc2NC(=N)C3CCC(CC3)N(C4=N)C(=N)C5C(CC6)CC6C45 -NCc1ccc(cc1)Cn2cc(c(c23)nccc3)C(=O)CCC4CC4 -C1CCC(N)=NC1(C)c2cc(ccc2C)NC(O)c3ccc(cn3)CN -Cc1nc(cc(n1)C)Cc2nnc(n2-c3cc(C)ccc3)CCC(=O)Nc4cccc(c4)C(C)(C)C -Clc1ccc(cc1)C(CC(=O)C2)C2(Cn3cncn3)c4ccc(Cl)cc4Cl -CC(C)OC(=O)Cn1c(-c2ccccc2)c(ccc1=O)-c3ccccc3 -n1ccn(c12)c3c(cc2CC)cc(cc3)C(N)C4CCC(ON)CC4 -Clc1ccccc1Cn2nc(C)c(c2Cl)C(=O)CC(C(C)C)C(=O)NC(=O)N -Cc1cc(C)cc(c1)C(=N)Nc(n(n2)C(C)(C)C)c(c23)CCC3 -CCc1ccc(cc1)C2C(C(=O)N)=C(O)C(=O)C2CCCn3ccnc3 -c1cccc(C2=N)c1CCCC23N=NCC3c4cccc(c45)cccc5 -O=C(N)C(C1)CCC(C1=2)c3c(C2)nc(nc3C)-c4ccc(CN)cc4 -C1=CC=C(C1=2)N=C(N2)C(O)Cc3nccc(c3Cl)OCc4ccccc4 -CCCc1ncccc1C(N)N2CCN(CC2)c3ccc(nn3)-c4ccc(Cl)cc4 -c1nccc(C(=O)C2)c1C23CCC(CC3)C(=O)Nc4cnn(c4)-c5ccccc5 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-Clc1ccccc1C2=CC(CCCC)N(C2=O)C(C)c3ccc(cc3)C(=O)NCCC(=O)O -Clc1ccccc1C2=C(CC(=O)N)C(=N2)C(=O)N(CC3)CCC3(C(=O)O)c4ccccc4 -COc(c1)c(OC)cc(c12)CCS3C2CSC(\C3=O)=C\C(=O)c4cccc(Cl)c4 -O=C1N=CN=C(C1=2)N=C(C2)c3ccnc(c3)/C=C/c4ccc(cc4)C(=O)N5CCOCC5 -CN(C)CCNC(N1O)=NN(O)c(c12)c3c(cc2)CCCC3 -COc1ccc(c(c1)OC)C(N2O)=C(C)N(O)C(=C23)CCCC3 -ONC(=O)c1ccc(o1)-c2ccc(cn2)CNCCOc3ccccc3 -Cc1ccc(cc1)C(OCO)(C(C(=O)C2)CC(O)(O)O)c(c23)cc(C)cc3 -CCOc(c1)ccc(c12)C(=O)CC(C(O2)(C#N)C#N)c3ccccc3 -COc1ccc(cc1)/N=C2\O/C(C(=O)N2CC(C)C)=C\c3cc(C)n(C)c3C -C=C(C)c(c1)ccc(n12)nc(c2)N3C=C(C)N=C(O)N3C -Cc1ccc(cc1)N(C2=SC(=O)CS2)CC(=O)N3CCc(c34)cccc4 -CC(C)n1ccc(=O)nc1CC2CCN(C2=O)c3ccccc3F -Fc1ccc(cc1)C(C(=C)N2C)=Nc(c23)cnc(n3)Nc4ccccc4 -Fc1ccc(cc1Cl)NC(=O)Cn2cc(nn2)CN(c3ncccn3)c(o4)nc(c45)cccc5 -CN(C)C(=O)N/C=C1\C(=O)Nc(c12)ccc(c2)OC(F)(F)N -COCCn1c(C)cc(c1C)/C=C2\OC(=O)N(C2=O)CC(=O)N3CCCC3 -OCCOc(nc1N)nc(c12)oc3c2CCCC3 -COc1cccc(c1)C(CC2)=Nn(c23)c(nn3)-c4cc(OC)cc(c4)OC -c1ccccc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)cc(Cl)cc3 -Oc(c1)ccc(c12)pc3c(c2C#C)COc4c3ccc(c4)O -CCc1cccc(c12)C(=C2)C(=O)CN(C(=O)N3)C(=O)C34CCCCC4 -c1cccnc1C(=O)C(C2)CCc(c23)cc(nc3O)-c4ccccc4 -CCCCn1c(=O)/c(c(=O)[nH]c1=C)=C/NN2CCCCC2c3cccnc3 -Oc1ccccc1-c(n2)ccc(n23)ccc3Nc4cnccc4OC5CCCNC5 -O1CCOc(c12)cccc2C(=O)OCCn3c(C(=O)O)cnc3/C=C/c4c(F)cccc4F -O=CC1=CC=c(c12)c=3c(cc2)c4c(N3)ccc(c4)C=O -c1cccc(c12)oc3c2c(=O)n(nc3C)CC(=O)N4CCOCC4 -Nc1cccc(c1)-c(nc(c23)cccc3)n2Cc4cnn(c4)-c5ccc(N)c(N)c5 -COc1cc(OC)cc(c1)C2C(CO)=C(N)Nc(c23)c(N)c(N)cc3 -Cc1cccc(n1)N2C(=O)CNC2c3c(C)cccc3N -N1=CC(C)=C1c2cc(C(=O)N)nc(c23)cc(cc3)CN4CC(C)OC(C(F)(F)F)C4 -CC1C=CC(C1)n2ccc(c23)c(cc(c3)N)NC4CC4 -n1cnnc(c12)cc(C)n2C(=C)CC(CC3)NCC34CCCC4 -COc1ccc(C)c(c1)-c2ccc(cc2)NC(=O)c3c(N)cccc3Cl -c1ccccc1-c(n2)nc(n23)oc(\c3=O)=C\c4ccccc4Cl -c12ccc3n([nH]2)c(cc3c1)N(CCCN(C)C)C(=O)CCc4ccccc4 -Cc(c1)ccc(c12)N(O)C(=C(C(F)(F)F)N2O)C(=O)c3ccccc3 -c1ccccc1CC(C(=O)O)N2C(=O)/C(CC2=C)=C/c3ccc(cc3)OCC(=O)c4ccccc4OC -CNC(=O)c1cccc(c1)Nc2ncnc(n2)N3CC=C(CC3)c4nc(co4)-c5ccccc5 -COC(=O)C(N1O)=C(C(F)(F)F)N(O)c(c12)ccc(c2)N3CCN(CC3)c4ccc(F)cc4 -CNC(=O)C(C(C)C)NC(=O)C1=C(C=C1)c2cccc(c2)CNC(=O)c3cccc(n3)C(F)(F)F -CCCS(=O)(=O)C(C=C1)=C(C1=2)N=C(N2)N3CCC(C3)c4ccccc4 -c1ccccc1S(=O)(OCC)N2CCCC(N2)c3ccc(Cl)c(Cl)c3 -CCOC(=O)C(C=1CC)=CC(C12)=NC(C(=O)OCC)=C2CC3CC(C)OC(C)C3 -c1cccc(c12)N(O)C(=C(C)N2O)C(=O)CC(=O)C(=O)Nc3c(C(C)C)cccc3C(C)C -O=C1N=CN=C(C1=2)N=C(C2)c3ccnc(c3)/C=C/c4ccc(cc4)CN5CCOCC5 -CCNc1ccc(cc1)-n(c2=O)c(OC)nc(c23)CCO3 -C=C(C)C(=O)OCc(c(c1)C(=O)O)cc(c12)CCC(N2)CNC(C)C -CCCc1cc(O)nc(n1)OCC(=O)N2CCCc(c23)cccc3 -COc1ccc(cc1)C(C=C2)=C(C2=3)C(=O)C=C(N3)c4ccccc4N -OC=1C(O)=CC(C12)=NC=C2C(=O)C(=O)N3CCC(CC3)Cc4ccc(F)cc4 -COc1ccccc1NC(=O)C2CCN(CC2)C(=O)C(C=3C)=CC(C34)=NC=NC4=O -CC(C)c(cc12)cc(c1C)/C=C3\N(C(=O)CO2)CCN(C3)C(=O)c4ccco4 -CN(C)CCNC(N1O)=CN(O)c(c12)cc3c(c2)CCCO3 -O=C1N=NC(C)=C(C1=2)c3c(N2)ccc(F)c3 -COc1ccccc1CNS(=O)(=O)c2cc(c(F)cc2F)C(=O)N(C)CC3CCCO3 -CC(=O)N1CCN(CC1)Cc(n2C)nc(c23)cc(cc3)C(=O)O -COc(c1)ccc2c1c(cc(O)c(c3)OC)c3c(C4)c2C(O)C(P45O)CCC5 -O=C(N=1)N=c(c12)cccc2N3CCN(CC3)CCCN4C(=O)COc(c45)cccc5 -c1cccc(c12)scc2C(C)N(CCCN)C(=O)CCCC3=CN=C(C3=4)C=CC4 -Cn1cc(cn1)C2OC(C)=Nc(c23)n(C(C)C)nc3O -CCCC(O)C(=O)NCC(=O)NC(C=O)Cc1ccc(cc1)-c2ccccc2 -C=CCc1c(O)c(=NN=N2)c2c(c1=3)N=CN3 -c1ccccc1C(C(=O)N)c2ncc(C(F)(F)O)cc2O -Cn1c(=O)n(C)c(=O)c(c12)cpc(n2)-c3ccc(C(F)(F)F)cc3 -CCNCC#CCCC1(OCCCO1)C2(O)c(cccc3)c3Oc(c24)cccc4 -Cc1ccc(cc1)NC(=O)C(N2CCN(C)CC2)c(c3)ccc(c34)cc(o4)C(=O)Nc5ccccc5N -COc1cccc(c1)-c2ccc(C)c(n2)N3CCC(C(=O)O)CC3 -C=CCNC(=O)c(o1)cc(c12)c(=O)n3c(n2)c(C)ccc3 -c1ccoc1C(=C(C)N2O)N(O)C(=C23)CCCCC3 -CCOC(=O)Nc(pc1N)cc(c12)NCC(=P2)c3cc(OC)c(OC)c(c3)OC -COc1ccc(cc1)CNC(=O)C(N2O)=C(C)N(O)c(c23)ccc(c3)C(F)(F)F -c1cc(C)cc(c12)cc(n2C)C(=C)NC(C)C(=O)NC(C(=O)C)Cc3ccccc3 -NC(N=1)=NC(=O)C(C12)=NC=C2C(=O)c3ccc(Cl)cc3 -CCOc1ccccc1N(CCN23)/C(C2)=C/C=C/c4c(CCNC(=O)C3)ccc(c4)S(=O)(=O)N -C1CCCCC1C2=C(N=C(C2=3)C=C(N3)C(=O)O)c4ccccc4 -FC(F)(F)COc(c1)ccc(c12)C=C(CC(=O)N2)c3cccc(c3)-n4ccnn4 -Cc1cccc(c12)cn(c2C)C(=C)CN(N=3)C=CN(C34)NCNC4 -Cc1ccnc(c1)NC2(C(F)(F)F)C=C(NC2=O)c3ccccc3 -COc(c1)ccc(c12)N(O)C(N)=C(N2O)c3c(Cl)cccc3Cl -c1ccccc1C(=C(C=2)CC(=O)CC)C(C23)=CC(=CC3=O)c(c4)ccc(c45)OCO5 -C1CNCCN1c2cccc(c2)-n3ncc(c34)ccc(c4)-c5cncc(c5)C6CC6 -CN(C)CCCNC/C=C/C(=O)Nc(o1)cc(c12)c(ncn2)Nc3ccc(F)c(Cl)c3 -c1ccccc1-c(n2)nc(n23)n(nc3N)CC(=O)c4ccccc4 -c1ccccc1-c2ccc(N)c(c2)NC(=O)c(c3)ccc(c34)c(c(cc4)C5CC5)N6CCNCC6 -Cc1ccc(o1)C(=O)c2nc(C(F)(F)F)nc(c23)cco3 -Cn1c(=O)n(C)c(=O)c(c12)c(nc(n2)CCCC)OCC(=O)N3CCOCC3 -O=C(O)CCNc(nc(n1)C)c(n12)cc(n2)-c3ccccn3 -C1CCOC(N)=SC1(C)c2cc(ccc2F)NC(=O)c3ccc(O)cn3 -c1ccccc1CCCNC(=O)Nc2cccc(c2)CCNCC(O)c3ccc(O)c(c34)C(=O)C=C4 -C12=CC=C(Cl)C(=CC=C1)C2(CC)S(=O)(=O)N(C)c3ccc(cc3)Oc4ccccc4 -CCN(CC)Cc1ccc(cc1)/C=C/c2cc(ccn2)C(C=3)=NC(C34)=NC=NC4=O -c1ccccc1-c2c(F)cc(cc2)C(C)C(=O)NN3C(=O)COC3c4ccc(C(F)(F)F)cc4 -COc1ccc(cc1)C(N2O)=C(C#N)N(O)c(c23)cc(C)c(c3)C -N1=NC(N)=C(C1=2)C(=O)N=C(C2)c3ccccn3 -CN(C)CCN(C1=S)C(=S)c(ccc2)c3c2cc(c4c13)ncs4 -c1ccncc1-c2nnc(n2C)CCC(=O)NC3(C#N)CCCCC3 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-CCNC(=O)NC(N=1)=c(c12)cc(-c3cncc(F)c3)cc2-c4ncccn4 -c1ccsc1-c2nnc(n2C)OCc(s3)nc(c34)cccc4 -CCOC(=O)N(CC1)CCC12Nc3c(C(N)=S2)c(Cl)ccc3 -CCOC(=O)C1=C(C=C1)NC(=O)NCCCN2CCc(c23)ccc(F)c3 -Cc1nc(nc(c1)C)NC2=SC(=O)CC(C(=O)O)N2c3ccc(Cl)cc3 -Cc1cccc(c1)N(C)S(=O)(=O)c(c(C)c2)cc(c2=3)=NC(=O)C(N3)=O -Cc1ccc(cc1)C(N2O)=C(C#N)N(O)c(c23)cc(C)c(c3)C -S1CCN(C=12)C=NC(=C2C(=O)OCC)Nc3ccc(Cl)cc3 -Cc1cccc(c1)-c2nc(N)nc(c23)c(C)ncc3 -Cc1ccccc1C(=O)N(CCCC)c2nnc(o2)-c3ccccc3C -Cc1cccc(c12)c3c(c2)oc4n(n3)c(C)nn4 -c1ccccc1SC(=O)Cn2cc(/C=C/S(=O)O)c(c23)cccc3 -CCOC(=O)c1csc(n1)NC(=O)c(c2)cc(OC)c(c23)occcco3 -CCS(=O)(=O)N1CCN(CC1)C(=O)n(c2=O)oc(c23)nccc3 -C1=CC=C2C(=O)C(=c(c3=C12)cccc3)Cc4ccc(cc4)C(=O)CCCC(O)O -C1CCCCC1N(C)C(=O)CCCOc(c2)ccc(c23)CN4C(N3)=CC(=O)C4 -NS(=O)(=O)c1ccc(cc1)CCNC(N2O)=NN(O)c(c23)cc4c(c3)CCC4 -O=C(C)N1S=C(NC(=O)C)SC1(C)c2ccc(C)cc2 -C1CCC1Oc2nc(oc2C(=O)N)-c3ccnc(c3)NC(=O)C4CC4 -Fc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccc(Cl)cc3 -Cc1ccc(cc1)-n2nnc(c2C)C3=CNC(C3)c4ccc(O)cc4 -COc(c1)ccc(c12)nc(C)cc2CCC(=O)N/N=C/c3c(OC)ccc(c34)cccc4 -CC(C1)CCC(C1=2)=C3C(N2)=NC(=O)N(C3=O)C -c1ccccc1C(=O)C(N2O)=C(C(F)F)N(O)c(c23)cccc3 -Cc1cc(C)ccc1-n2c(N)c(cn2)C(=C)c3cccc(c3)-c4ccncc4 -CCOc1nc(C)nc(c12)oc(n2)-c3ccc(C)cc3 -CCCCc1c(O)nc(nc1O)OC2CC(=O)N(C2=O)c3ccc(cc3)C(=O)OCC -CC1(C)ON(OC1(C)C)c2ccccc2C(=O)Nc3ccc(cc3)Oc4ccc(C(F)(F)F)cn4 -Cc1cccc(c1)Oc2c(C3CCC3)ccc(c2N)-c4cnc(C)cn4 -CC(C)CCn1cnnc1C(C2CCC(C(=O)N)CC2)c3ccccc3N -NC(N)(N)c1cc(ccc1)N2C(=C)N(C)c(c23)ccc4c3cc(cc4)-c5ccc(N)nc5 -COc1ccc(cc1)CCNC(=O)C(N2O)=C(C)N(O)c(c23)cc(F)c(F)c3 -C=C(N)CCC1=NC(=C)C(CC)=C(C)N1c2ccccc2[P] -Cn1ncc(Cl)c1C(=S)N2CCc(c23)cccc3 -Cc1ncc(C(=O)O)n1/C(C(F)C)=C/c2ccc(O)cc2O -NC(N=1)=NC(=O)C(C12)=CC(=N2)c3ccnc(c3)/C=C/c4ccccc4 -c1ccoc1-c2nnc(n2CCOC)CCC(=O)NC3CCCCC3 -Cc1cc(C)c(c(C)c1)S(=O)(=O)N(S2O)N=Cc(c23)c(F)ccc3 -Oc1ccccc1C(=Cc(n23)ncn3)CC2c4ccccc4 -CC(C)CN(C1)C=Nc(c12)ccc3c2oc(n3)C#N -CC(=O)c1ccccc1NC(=O)C(=O)CC(=O)c2ccccc2-c3ccccc3 -COC(=O)c1ccccc1Oc2c(O)c(N)nc(c2O)N3CCOCC3 -c1cccc(c12)c(c(S(=O)O)c(=O)n2C)Nc3ccc(O)cc3 -Oc1ccc(cc1)C(C2CC2)NC(=O)CCC(N=3)=NC(=O)C(C34)=CC(O)(O)C=C4 -C1CCCc(c12)oc(c2C#N)N3C(=O)C=CC3=O -c1ccccc1-c2cc(C)c(C#C)c(n2)NCCNC(=O)C(C)C -Oc(n1)c(O)nc(c12)cc(C(=O)O)c(c2)CN3CC=CCC3 -COc1cc(cc(OC)c1O)C(O)S(=O)(c2ccc(N(C)C)cc2)OC3CCCCC3 -C1CNCC1C2=C(C)C(=C)C(C2=N)c3ccc(C)cn3 -COc1ccccc1CNC(=O)c2ccccc2NS(=O)(=O)c(c3)ccc(c3=4)=NC(N4)=O -Bc1cc(Cl)ccc1Nc(c2B)c(cc(c23)cco3)C(=O)NOC(C)(C)CO -c1ccccc1CC(C(=O)NCC)NC(=O)NS(=O)(=O)c2ccc(O)cc2 -CNCCC1=CN=C(C=C2)C12CCC3NC(=O)N(C3=O)Cc4ccccc4 -CC(=O)OCCOC(C)NC(=O)Nn(c1=O)c(cc(c12)cccc2)-c3ccccc3 -Cc1c(C)oc(c12)nc(nc2O)CN3CCN(CC3)c4ccc(O)cc4 -CC12C=CC(OO1)(C(O)=C2OO)/C=N/c3ccc(cc3)OCc(cc45)c(oo4)cc5 -O=C(N1)N(C)Cc(c12)ccc(c2)NC(=O)NC3CC(CN)(CN)Nc(c34)cccc4 -CCc1ccc(C(C)C)cc1NC(=O)C(C2)CCn(c23)c(nn3)C(F)(F)F -COc1ccc(cc1)-n2c(O)ccc2-c3c(N)cc(N)cc3N -Fc1c(Cl)ccc(C(F)(F)F)c1C(=O)Nc(c2)ccc(c23)COS3O -c1cccc(c12)N(O)C(=C(N)N2O)C(=O)NC34CC5CC(C3)CC(C5)C4 -CCCc1ccccc1NC(=C)C2CCCN(C2)S(=C)(=C)c3c(C)nc(C)nc3C -O1COc(c2)c1cc(c23)c4n(n3)CCN4 -COc1ccc(cc1)-c2nc(oc2-c3ccc(OC)cc3)CNC(=O)C4=NNC(=O)CC4 -Cc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3ccc(Cl)cc3 -COc1ccc(cc1)-c2n(CCOC)c(nc2)OCC(=O)Nc3cccc(C)c3 -CS(=O)(=O)N1CCN(CC1)C(=O)c2cccc(c2)Nc3ncc(F)c(n3)Cc4ccc(F)cc4 -CN(C)CCCNC1=Cc(cccn2)c2Nc(c13)ccc(c3)C -c1ccccc1-n2c(=O)/c(c(=O)[nH]c2=C)=C/c3ccc(c(c3)OC)OCc4ccc(C(=O)O)cc4 -COc1cccc(c1)-c2coc(n2)N3CCN(CC3)S(=O)(=O)c4ccc(F)cc4 -c1cccc(c12)nc(n2CC(=O)OC)OCCOc3ccc(C)c(C)c3 -C1CCC(C1=2)=C3C(C2)=NC(=O)N(C3=O)CCCn4ccnc4 -Oc(c1)c(C)cc(c12)S(=O)(=O)NC(N2)C(=O)c3ccccc3 -O=C1N=NC(C)=C1C(C2=C(C)N=NC2=O)c3ccc(cc3)OS(=O)(=O)c4ccc(F)cc4 -O=S(O)c(n1)cn(c12)CCC(O2)COc3ccc(cn3)-c4ccc(F)cc4 -COc1ccccc1-c(o2)nn(c23)c(=O)cc(n3)C -CC(=O)PCC1CN(C(=O)O1)c2ccc(c(F)c2)P3CCP(CC3)c4ccc(C#N)cn4 -C1CN1C2CCN2C(=O)c3ccc(cc3)Nc4nccc(n4)C5=CC(=C5)CCCCO -CCc(n1C)cc(c12)cc(cc2OC)S(=O)(=O)c3cccc(Cl)c3 -CCc1ccc(cc1CC)CCNC(CO)c2ccc(O)c(c2=3)=NC(=O)C3 -c1cccc(c12)c(c(O)n2CC)/N=C/C(=O)CNc3ccc(C)cc3 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-COc1ccc(C)cc1CCCCNCCC(C)(OC(=O)C)c2ccccc2 -COc1ccc(c(c1)OC)C(=O)COC(=O)CCC2=C(C)C=CC2=O -C1=CC(C)=C(C1=2)C(=O)C=C(N2)NC(=O)c3ccccc3 -Cc1ccc(cc1)NC(N2O)=C(C#N)N(O)c(c23)cc(Cl)cc3 -c1ccccc1-n2nc(C)c(c2)NCC(=O)N3CCN(CC3)c4ccc(Cl)cc4 -CCCCNC(=O)Nc1ccc(cc1)C(O)(C(C)(O)O)C(=O)OCC -CCOc(c1)ccc(c12)cc(CN)c(n2)OCC(=O)OCc3ccccc3 -CCC(N1O)=NN(O)c(c12)ccc(c2)OCCN(C)C -O=C(O)CCN(C(=O)C1)NC(C12)c3c(CC2)cccc3 -CCOC(=C)c(c1)ccc(c12)c(O)c(c(c2O)C(=C)OCC)-c3ccccc3 -CCC(C=1)=CC(C12)=NC(=NC2=O)c3ccsc3 -CC(C)c1cc(cn1C(C)(C)C)C(=O)NCC(O)C2CCOCC2 -COC1=C(C(=C1)C(C)C)Oc2cnc(nc2N)NC(=O)C(N)C(C)C -CCCSCC1CN(CC1O)CC2=CN=C(C2=3)C(=O)N=CN3 -O=C(O)CCN1C(=O)/C(CC1=C)=C/c2cccc(c2)OC -Cc1cnn(c1)C2CN(C2)Cc3nc(ns3)-c4ccccc4C -c1ccccc1CCCCC(C2=O)CC(=O)NC2(CO)CCC(=O)Oc3ccccc3 -C/N=C(\C)Nc1ccc(cc1)-c2nc(N)n(n2)/C(C)=N/C -CNCCNc1cc(C(F)(F)F)ccc1-c2ccccc2CCNS(=O)(=O)N -COC12C(=C1)C=C(C=C2)N3CCN(CC3)/C(O)=N/c4cc(C)ccc4C -CCOc(c1)ccc(c12)N(O)N=C(N2O)NCCN(C)C -c1cccc(c12)N(O)C(=C(C)N2O)C(=O)/C=C/c3ccccc3 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-O=C1N=CN=C(C1=2)N=C(C2)c3cccc(c34)ccc(n4)Nc5ccc(Cl)cc5 -c1cccc(c12)c3c(n2)c(c4c(n3C)cccc4)NCCN5CCOCC5 -C=1N=Nc(c12)nc(=O)n3c2nc(n3)-c4ccccc4Cl -O=c1oc(C(F)(F)F)nc(c12)n(nc2C)-c3ccc(F)c(F)c3 -c1ccoc1C(=O)C(N2O)=C(C(F)(F)F)N(O)c(c23)ccc(F)c3 -c1cc(O)ccc1C(=O)C(C=2c(cc3)ccc3O)=NC(C24)=NC=NC4=O -CC(=O)Oc1ccccc1C(=O)NC(N2O)=C(C#N)N(O)c(c23)cccc3 -c1cccc(c12)c(cc(n2)C)COc3ccc(cc3)C(=O)NC4CCOCC4C5=NC(=S)N=N5 -c1cccc(c12)c3c(n2)c(c4c(n3C)cccc4)NCCCN5CCOCC5 -Cc1ccc(cc1)-c(n2)nc(n23)c=4c(nc3=O)N=NC4 -CN(C)CCNC(N1O)=NN(O)c(c12)c3c(cc2)OCCC3 -FC(F)(F)c(c1)ccc(c12)N(O)C(=C(C#N)N2O)NC(=O)c3cccs3 -CC(=O)NC1CCN(CC1)c2ncnc(CC)c2/C=C/c3ccc(N)nc3 -COc(c1)ccc(c12)N(O)C(=C(C#N)N2O)c3cccs3 -CCN(CC)CCN(C1=O)C(=O)N=C(C1=2)c3c(N2)cccc3 -CN(C)CCN(C1=O)C(=O)N=C(C1=2)c3c(N2)cccc3 -c1cccc(c12)N(O)C(=C(N2O)C(=O)OCC)c3ccc(OC)cc3 -O1CCc(c12)cc3c(c2)N(O)C(=NN3O)NCCCN4CCOCC4 -Cc(c1)c(C)cc(c12)N(O)C(C#N)=C(N2O)NS(=O)(=O)c(c3)ccc(c34)cccc4 -CCOC(=O)C(N=1)=Cc(c12)c3c(cc2)=CC(=N3)C(=O)OCC 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-COc1ccccc1N2CCN(CC2)CCOc(c3)ccc(c3=4)=NC(N4)=O -c1ccccc1CCNC(=O)c2cccn2-c(c3)ccc(c34)COC4O -CCCc1ccc(o1)CC(C(=O)C2)C(=O)C2(c3ccccc3)c4ccccc4 -CCCCCCCCCCCCN(C1=O)C(=O)N=C(C1=2)N=C(N2)O -CC(C)(C)C(O)CC1CCC(CC1)C(=O)c(c2)ccc(c23)COC3 -CC1CCCCN1S(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -c1cccc(c12)N(O)C(=C(N)N2O)C(=O)Nc3ccccc3 -COc1c(OC)cc(cc1OC)C(=O)NCc2nnc(o2)CCC(=O)NC3CCCCC3 -c1cccc(c12)N(O)C(=C(C)N2O)C(=O)/C=C/C=C/c3ccccc3 -O=C(N=1)C(=O)N=c(c12)ccc(c2)S(=O)(=O)N3CCN(CC3)c4ccc(F)cc4 -Nc1nc(=O)n(cc1F)C2CCC(N2)CO -c1cccc(c12)N(O)C(=C(C)N2O)C(=O)/C=C/c3ccc(C)cc3 -NC(N=1)=NC(=O)C(C12)=NC(=N2)SCc3ccc(OC(F)(F)F)cc3 -Fc1cc(ccc1)N(C)S(=O)(=O)c(c2)ccc(c2=3)=NC(=O)C(N3)=O -CC(C)c(c1)ccc(c12)N(O)N=C(N2O)NCCN(C)C -O=C(N=1)N=c(c12)cccc2N3CCN(CC3)CCCCNC(=O)c(c4)ccc(c45)cccc5 -CCN(CC)CC(=O)C(N1O)=C(C)N(O)c(c12)cccc2 -O=C1N=NC(=N1)C(=O)NC(CC(F)(F)F)c2ccc(Cl)cc2 -COc1ccc(cc1)C(=O)N/N=C/C(N2O)=C(C)N(O)c(c23)cccc3 -c1ccoc1-c2nnc(n2N)CC/C=C/c3ccccc3 -CC(=O)C1CCC(CC1)C(=O)c2c(coc2C)-c3ccccc3 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-CCOc(c1)ccc(c12)N(O)C3=C(N2O)CCCC3 -COc1ccc(cc1)C(=O)C(C(COC(=O)C)COC(=O)C)c2c(C)cccc2C -Fc1ccc(cc1)-c(cc(c2)C(=O)C)c(c23)c(F)cc(c3)CC4C(=O)CCC4=O -COc1ccc(cc1)C(=O)CCC(CC2(C)C)=CC(=O)C2 -COc1cccc(c1)CC(=O)/C=C/c2ccc(O)cc2 -Cc1ccc(cc1)C2=C(C(=O)N=N2)Cc3c(O)ccc(c34)cccc4 -CC(=O)c1ccc(o1)C2CCCC2C(=O)CCc(o3)cc(c34)cccc4 -CC(=O)NC(N1O)=NN(O)c(c12)cc(C)cc2 -C=CCc1cc(CCC(=O)O)ccc1/C=C/C(O)(CN23)C(CC2)CC3 -Cc(c1)ccc(c12)nc3c2c4c(c(=O)[nH]c4=O)c5c3cnn5 -CN(C)CCNC(=O)c1cc(C)c(c(C)c1O)-n2cccc2 -Cc1ccc(cc1)/C=C2/C(=O)C(C(=O)C2C)c3ccc(C(=O)O)cc3 -CCOc1c(Cl)cc(cc1OC)CNc(c2)ccc(c2=3)=NC(N3)=O -c1ccccc1-c2occ(c2C)C(=O)Cc3cccc(c3)C(=O)O -CCc1cnc(o1)CCNC(C)CC(=O)Nc2cccc(C)c2C -CC(O)C1CCCc(c12)cc(o2)COc3ccccc3 -COc(c(Cl)c1)cc(c12)N(O)C(C#N)=CN2O -O=C(O)c1ccccc1C(=O)OCC(=O)C2CCCc(c23)cccc3 -CCOC(=O)C1=C(CC(=O)CC1C)COC(=O)/C=C/c2cccc(F)c2 -Cc1c(F)cnc(c1=2)=NC(=O)C(N2)=O -CC1CCCCN1CCCNc2nccc(n2)C3=CN=NC3=O -C=CCc1cc(ccc1O)Oc2c(O)cc(cc2O)CC(C)C(=O)O -O=C(O)c1ccccc1CC(=O)CCCCCC(O)COc2ccccc2 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-O=CCc1cc(ccc1)-c(cn2)n(c23)cnc(c3)-c(cc4C)cc(n4)N -c1cccc(c1C)C(CN2)CC=C2CCC(C3=O)=C(O)N=C4C3=Cc(c45)cccc5 -CC(=O)c(c1=O)cn(N2CN2)c(c13)c(F)c(c(F)c3)C(C4)CC4(O)CC -CCC(O)C(=N)CCc1c(O)cc(cc1)-c(nc(c23)nncc3)c(c2)CCC(O)OCC(F)(F)F -CC(C)(C)c(nc1)c(c12)ncn(c2O)Cc(ccc3)c(F)c3Cn(c4N)cnc(c45)nnc5 -CC(=O)c(c1)nnc(c12)nc(c(c2)N(C)C(C)N)-c(c3)ccc(c34)occ4 -n1ncn(c12)c(ncc2)C(N)C(C3)CCc(c34)n(nc4)-c5c(Cl)cccc5 -n1c(Cl)cccc1C(CC)c(c2C(=O)NC)ccc(c2)NCc3cncc(c34)[nH]c(n4)C -FC(F)(F)c1cc(ccc1)C(N)C(=N)c2n(C)nc(c23)c(F)c(F)c(F)c3F -n1cncc(c12)nc(nc2C)C(Cc3ccccn3)NN4CC(C)(N)Nc(c45)cc(Cl)cc5 -CCCC(O)c1cc(ncn1)C=2C(C)=CN(N)N(C23)C=CC=C3 -NCNC(N)CC1=CC=C(CC1)c(cc2-c3ccncc3)nn2-c4ccc(F)nc4 -c1ccccc1C(C2=C)C(=N)CON(c3ccccn3)C(C2)c4nccnn4 -CCCOCC1N=CCC=c(c=12)nc(N(C)C3CCCC3)nc2Cc4cccc(n4)C -c1cc(F)cc2c(c3c12)n4c(c(c3)CC(=O)N)ccc4-c5ccc(F)cc5 -c12c3c1n(C(C)=N)ccc3c(C4C=CC=C4)c2-c(cn5)ccc5CNc6ccccc6 -COCCC(CCON)c1cc(C)cc(c12)n(c(c2)-c3cnccn3)CCCN4CCCCC4C -n1cc(C)cc(C)c1Cc2nnc(o2)NNc(c3C)c(O)c(n3C)-c4ccccc4 -c1cncc(F)c1-c(nc2O)nc(c2C)C3CC(OCC3)c4c(OC)cc(Cl)cc4 -c1ncncc1CCC23N(O3)C(=c4c(=C2)cccc4)c(cc5)ccc5CN -c1cnccc1N(CN2)CC2C(=O)N(c3cccnc3)Cc4c(F)cc(cc4)-c5ccn(n5)C -C1CCNC=C1Cc(ncc2C(=O)N)n(c23)nc(c3)-c4ccc(Cl)cc4 -Fc1cccc(F)c1-c(c2)ncn(c23)cnc3Nc(cncc4)c4C5=CC(N)CCC5 -FC(F)(F)c1cnc(nc1)-n(c(c23)NCC3)c(c2)-c4cccnc4 -C1=NCCc2n(c(c3c12)cccn3)CCCCCCN4N=CNCN4 -C1NCC(C)C=C1Cc2ccc(cc2)Nc(cc3C)cn3-c4nccc(c45)nc(OC)c(c5)NC -n1ncccc1CCNc2ncnn(c23)nc(-c4ccccc4)c3-c5ccccc5 -N1=CC1c(c2N)nc(c23)ccn(c3)NC(=O)c4ncc(cn4)-c5ccc(F)cc5 -c1nc(F)ccc1CC(=N)CC(=CC2)CN=C2C(=O)c(c3NCCC)oc(c34)ccnc4 -c1cccc(c1[*])C(=[*])c(c(c2)O)c(C=O)c(c23)C(=O)CC([*]3)(C)O -FC(F)(F)c1c(N)ccc(n1)-c2ccc(C)n(c23)c(=O)c(cc3)CC4CC=NC4 -n1ccccc1NC(NCCC)(c2cccc3)C(N)Cc(c4c23)cccc4 -FC(F)(F)c1ccc(cc1)CN(c(c23)cccc2)C(N)CCC3c4ccccn4 -CC(F)(F)c1cc(F)c(nn1)NC(CCC2)=C2NC(C)c3c(ccc(F)c3)-c4ncccn4 -Cc1cc(ncc1)-c2ccc(nn2)N(C3CC)C(=C34)CC(CC/C=C\4)Nc5ccncn5 -C1=CCCCC=C1CC(=N)Cc2c(cn(C(C)=N)c2C)-c3ccc(F)cn3 -c1nc(F)ccc1CC(N)CNc2cc(-c3ccncc3)nc(c4)n2c(c45)cccc5 -c1ccnc(Cl)c1CC(=N)NCCc(c2O)c(-c3cccnc3)cc(c24)cnc(n4)C(C)O -N1=CC(C(F)(F)F)=CC(N1C=23)=S3C(C=N)=C(C2)N -Cc1cncc(n1)N(CC2)CCN2C(=O)c3c(F)ccc(c3)CC(C=NC4=O)=C(C4=5)CCCC5 -N1CC1Cc2cc(cc(nc3)C(=O)CC)n3c(c24)cccscn4 -CC(=O)C1C=CN(CC1)C(C)c2ccc(nc2)-c(nc3)cn(c34)c(cn4)-c5ccc(N)cc5 -CC(O)N1C=CN(C=C1)C2=C(C(C3)c4ccncn4)N2C35CCCCC5 -c1ccccc1C2(C(=O)NC)C(CC)=NC(C2=O)C(C)(C)c3cc(Cl)cc(Cl)c3 -CCC1(O)C(C)(C(=C)N)CCc(c12)ncc(c2)OCc3ccc(cc3)OC(F)(F)F -c1cnccc1CC(=O)c(c2)cnc(-c3ncc(Cl)nn3)c2-c4c(Cl)cc(Cl)cc4 -CCCc(c1)c(OCN)cc(c12)ncnc2Nc(cnc3)cc3-c4c(N)nccn4 -c1ccc(C)c(c12)ncn(c2=O)C(=O)C3=CN=C(C(C)C3)c4cc(N)ccc4 -c1ncc(ON)cc1CCC(=N)C(C(C)N)Cc(o2)nc3c2c(c34)cc(Cl)cc4 -c1cccc(CNC(=O)N)c1Cc2nc(ncn2)-c(c3-c4ccc(F)cc4)n(cc3)C5=CCCCC5 -c1cccc(c12)c(O)ncc2C(=O)NC(C3)C3CN(CC4)CCC4Cc5c(Cl)c(C)c(Cl)nc5 -N1OCC(C)NC1(C(F)F)c(c(F)cc2)cc2Cc3nccn(c34)nc(n4)C -Cc(n1)nnc(c1CO)-c2cc(C3CCONN3)nc(n2)C4CCCCC4 -c1ccnc(Cl)c1CC(N)C(=O)C2CCC(CC2)c3ccnc(c34)cccc4 -c1ncncc1Cc(n2)c(NCNCCCC)nc(c3-c4ccc(F)cn4)c2cc(c35)cccc5 -CCc(nc1)cc(c12)cc(C(C)N)nc2CCc(c3)ncc(c3c45)CC(=N)c4ncc(F)c5 -n1ccnc(c1C(C)(C)N)-c(c2)cn(c23)c(ccc3)NC(O)Nc(nc4)ccc4CC(F)(F)F -CC(C)(C1)CCn(c12)cc(c2C=N)N3CCN=C3Nc4ccccc4 -OCC(C1)(N)Oc(c12)nccc2-c3ccc(cn3)N(C)C -Fc1nccc(F)c1COC(=N)Cc2c(C)onc2-c3c(F)ccnc3N -c1ncccc1C(=O)Cc2c(N)cnc3c(c4c23)ccc(c4)ON -CONCCc1ccc(nc1)-n(n2)cc(c3)c2cc(c34)OC5C4=CNN5 -CCC(N)n1cnc(c12)nc(O)c(c2N)-c3cc(ccc3)Nc4ccccc4 -CC(C)(N)c1cc(no1)CC(=O)N(CCN2)CC(C2C(C345)=N5)=C3CCCC4 -NC1COC=CN1c(cc2)ccc2-c(c3=C)ncc(c3=4)N=NC4c5ccc(Cl)cc5 -CC(F)(F)c1cnc(c(n1)Cl)C(N)Cc(c2)ccc(F)c2C3(C)C(F)(F)COC(=C3)N -FC(F)Cc1ccc(cc1)-c2nc(-c3cncnc3)n(c24)CCCCC4 -CC(=O)Nc1c(F)cc(nc1)N(N)C(=O)NCc2c(nc(CC)cc2)C3CCCCN3 -NCCc1ccc(nc1)CC(=O)Cc2ccc(cc2)-c(cc(c34)cccn4)nc3C5=CCOC=C5 -CC(C)(C)CCc1nccc(c12)cnc(c2)Cc3c(OC)nc(cc3)-c(c4C)nn(n4)C -C1=CC=CN(C12)N(Cl)C=C(C=2[*])C(CC(=C)CN)c3c(Cl)nncc3 -c1ccccc1C(O)C(N=C2)Cc(c23)nc(C)n4n(cc3)cc(ON)c(c4)OC -c1cc(F)cc(F)c1C(=O)Nc(c(cc2)ON)cc2-c(c3)cnc(c34)nc(C)nc4N -NC(=O)C1C=CN(C1)c(c2)nc(C3CCOCC3)n(c24)c(cc4)-c5ccccc5 -n1ccccc1C2(CC=N)C(=CC=C(O2)OC)Cc3ccc(C)nc3 -c1cc(F)cc(F)c1Nc(c(c23)ccn(c3)C(=O)N)nc2-c4ccc(F)cc4 -C12=CCC(CC2)C(CO)=C1C(=O)Cc(cn3)ncc3C(=O)Nc4ccnc(c45)ccnn5 -N1COCC=C1NCCc2nc(-c3ccccc3)nc(c24)cc(c(n4)Cl)N(CC5)CCN5C -c1ncnc(c12)CC(C2C(=C)CC(C)(C)N)C3=CN3c4c(Cl)ccc(Cl)c4 -CC(=O)NCC12C3=c4c(ccc(c4)NNCC)=C=CC3=CC=C1OCCC=C2 -c1ccccc1NC(=N)n(c(c2[*])-c3ccco3)cc2-c4c(O)cccc4 -OC(O)c(c1)cnc(c1C(F)(F)F)C(CC2)CC(=C23)N4N(C=CC=N4)OCCCC3 -CCC(=O)C1CCCn(c12)c(nn2)-c3cc(ON)c(cc3)-n(c4)ccc4C -C1C=NC=CC1C(=N/N)\c2ccc(cn2)CC3=C(Cc4ccccn4)C(=N)c(c35)nccc5 -CC(F)(F)c1cc(ncc1)-c(cc2)c(c23)nc(NOCCN)n4c3cccc4 -OC/C=C/Nc1ncnc(c12)cc(c(c2)CN)CCCOC -n1cnc(NN)n(c12)ncc2C3=CN(CC(C3)CC)Nc(cc4)ccc4-c5ccccn5 -C1CCCC(C=12)=C(C=NC2=O)Cc3cc(ccc3)N4C(N)C=CC=C(C4=5)N=CC5 -CCCc1ccc(cn1)-n(c(CN)cc2F)c3c2nc(O)c(c34)ccc4 -c1cccc(c12)oc(c2)C(O)Nc(cn3)ccc3C4N=NC(C=45)=CCCCC5 -c1ccccc1C23C(O3)=C(C(=C)C2)C(=O)Cc4ccc(cc4)C5=CCCNC5 -CCc1cnc(cn1)-c(c2)c(n(c23)cccc3)-c4cccc(n4)N(C)C -C1=COCC=C1C(O2)=CC(=C)c(c23)ncc(c3C)NNCC4=CC=CCC4 -Nc1c(C)n(CC)c(c12)nc(nc2C)-c3c(Cl)cccc3 -c1ccccc1C(=O)c2ccc(nc2)CC(N=C3)=CC34c5c(CC4N)ccc(Cl)c5 -c1cc(F)cc(F)c1-c(n2)sc(c23)c(C(=C)N)ccc3NC4CNCNC4 -c1cnccc1C2=NC(C)CCN2C(=O)Cn(c3=O)ccc4n3cc(c45)cnc(C)c5 -n1nc(Cl)ccc1-c(o2)ncc2-c3nncn3-c4ccc(cc4)N5CCNCN5 -c1cccc(c1NC(F)(F)F)NC2CN(NC2)c3ncnc(c34)nc(CC)c(c4)NC -c1ccnc(c12)N(C=N)C(NN)CC2(N)c3ccc(Cl)cc3 -CC1CCCN(C)N1C(C)c2ccc(cn2)Nn(c3)ccc3-c4cc(N)nn4N -n1cnccc1-c(c2CN)ccc(c3N)c2c(C4CC4)c(c35)C=NC5=O -c1cc(F)cc(F)c1Cc2cc(F)nc(c23)Cc4c(c(N)ccn4)N=C3N -c1ccccc1-c(cc2)n(c23)ccnc3N(CC4)N=CN4c5cnccn5 -O=C1CCCc(cncn2)c2C13CC(=C)N(C3)CNc4ncccn4 -c1cc(N)ccc1-c(n2)c(nc(c23)nccc3)C4CC(C4)c(c5)ccc(c56)nncc6 -CCC(=O)c1ccc(nn1)CN(C(=O)C2)C(O)C2(NC)c3ccc(Cl)cc3 -C=C(C)COc(n1)ncc(c1C)-c(nc(C)nc2)c2-c(nc3)cc(OC)c3CC -c1cc(F)ccc1NC(=O)Cc(nc2)ccc2CNc3nc(N(C)C)nc(c34)ncc(C)c4 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-N1C=Nc(c=12)cc=3c(OCNCC3)c2C(C)NCOc4ccccc4 -NCc(c12)ncc(c1)NCOc3cccc(n3)CC(=C(\C)C2O)/c4ccccc4 -CC(F)(F)c(c1)cccc[nH]c(=O)c(c12)cnc(C)c2NC(O)c3nnnc(c34)cccc4 -C1CCCC1c2n(C(=O)N(C)C)cc(c23)ccc(c3)Cc4cnc(cn4)N(C5)CCCC5O -c1cccc(c12)CCN(C(=O)CC)C2C(O)Nc3c(F)ccnc3F -c1ccnc(S(=[*])(=C)CCN)c1-c(cn2)nc(F)c2-c3cnc(cn3)N -CCCC(=O)N1C=CN(C=C1)C(O2)C23C(=C)C=c4c(=N3)c5c(cc4)cccc5 -N=CCNC(=O)N(N1)C=Cc(c1c(c23)COC(C)C3)cc2-c4ccccc4 -NCCc1c(NCC)cc(cc1)C(=N2)C=C(c3cccnn3)Cc(c24)ncc(C)c4 -CCc1c(C)nc(nc1)NN(C)C2=CC2Nc(c3)c(OC)nc(c34)n5c(c4)cccc5 -c1ccccc1NCNCC(=O)n(cc2)c(N)c(c23)ncc3-c4ccc(nc4)ON -Cc1c(=O)nc(O)n(c1)C2CCN(C2)Cc3cncc4Cc(c5c34)cccc5 -n1cc(Cl)ccc1CC(=C)C(Nc(c23)cnnc2)C(C3)C(=O)OCc4ccccc4 -n1ccc(F)c(F)c1-c(c(C(F)(F)F)c2[*])c(CC=O)cc2NNCC -CC(N)Cc(n1)ncn(c12)ccc2-c3cc(ncc3)-c(cc4)ccc4C(C)N -NC(=O)c1c(C)nc(C)c(c1)-c(cc2)cc(CC3)c2C34CCC(C5=NO5)CC4 -c1cc(F)ccc1NC(=C(C)C2=O)N=C(C2=3)C=C(C3)c4c(N)nccc4 -c1cccc(c12)n3c(n2)ccccccnc3-c4c(N)nccccncc4 -n1ncccc1C(C2=O)NC(O2)CCNCNc(nc3)ccc3-c4c(F)cccn4 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-c1ncccc1CCCNc2nc(N(CCC3)c(c34)cncc4)nc(n2)N5CCOC=C5NOCC -CN(N)CC(=N1)N=C2c(ccc(c3)C(C)N)c3C12c(cc4C)ccc4 -CC1=CNC(N)CN1c(ccnc2)c2Nc3ncn(c34)cnc(n4)-c5c(F)cncc5F -c1cc(Cl)nc(Cl)c1Cc(c2)nn(c23)c(cc(n3)N)Nc4c(F)cc(Cl)nc4 -n1cccc(C=C2)c1C(c(c23)cncc3)C(N)CCc4cccnc4 -COc(c1)cnc(c12)cccc2NC(=O)C3(C)C=CC(CC3)CCc(n4)cnc(c45)SCCN5 -c1cc(N)nc(C)c1C(O)N(Cc2ccccn2)c(nc3)ccc3-c4c(NCC)cccc4 -n1ccc(F)cc1C(=O)C2CCN(NC2)C(N)n(cc3)nc(c34)ncc4 -c1cccc(N)c1-c(c2C)c(C)nc(c23)c(O)ccc3 -CCC(=N)CCCCN(c(c12)nccc1)C(O)N(CC)N=C2c3ccncc3 -n1ccccc1-c(cc2)ccc2C(=N)C(C3)CCn(c34)c(nn4)-c5ccccc5 -o1cccc1C(O)Cn(c(c23)ccnc3)c(N)c2Cc4ccc(Cl)cc4 -CC(=O)Cc(cc1)ccc1C(=O)CCC2N=CC(C=23)=NC=C3c4cc(OC)ncc4 -c1ccccc1C(=C2)C(=C)N(CCCN)c(c23)nc(nc3)Cc4ccccc4 -c1cccc(c12)n(C(=O)CCC(F)(F)F)cc2C(N)c3cc(C)ccc3 -Clc1c(N)ncc(c1)NC(=O)C(c2cccnc2)C3C\N=C\C=C/C=C/C3=N\[H] -CNCC(O)n(nc1)c(c12)c(ccc2)Cc3cc(ncc3)-c4c(F)ccc(n4)F -CCCCNc1cc(C)nc(c12)NCC(C2)Cc3ccnc(c34)cccc4 -c1ccccc1C(C)c(n2)c(-c(nc3)ccc3CN)nc(c24)nccc4 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-C=NC(OC)N(CCC)C(=C)CCC(=O)CC -NCCC(C)Nc(nc1)nc(Cl)c1C -CC(C)Nc(co1)nc1CCN -OCNOC(=O)N(OC)c1ccccc1 -N=C(O)c1c(CC=O)cccc1 -NC(=O)CCCCNCCc1cccnn1 -C=CCCC(=O)c1cnccn1 -C=S(=O)Cc(cc1)ccc1CC -O=C(O)Cc1c(Cl)cncn1 -CCS(=O)(C)c1ccccn1 -CCNCNCNc(cs1)nc1C -CC(=O)NCCC(=O)NCNCCCCCCC -n1cnncc1CNC(O)CCCCCCCC -CC(C)(N)C(O)C1CCC(CC1)C(C2)CC2CC=O -OCC(=C)C(C(C)C)NCc1ncccn1 -COC(N)c1ccc(Cl)nn1 -S1CCC(C12C)C(=O)CC2 -CCC(N(C)C)CNC(OO)ONC1CCNCC1 -Cc1ccnc(Cl)cncncncnc1 -C1=C=C=CCCCNCN(C)C(=C)CC=C=CN/C=N/N=C1\CC -c1nncn1CC(O)C(N)CCCCCCCCN -c1ccccc1C(O)NNCc2ccccc2 -[*][*]OC(=O)On1ccccccnc1 -CCC/C1=C/C/N=C(O)\C=C\C=C/CNC1 -OCCCC(=O)C1CCCCNCC1 -O=CNCCCCCNNc1cc(Cl)ccc1 diff --git a/smiles_cor.py b/smiles_cor.py new file mode 100644 index 0000000..23ef40c --- /dev/null +++ b/smiles_cor.py @@ -0,0 +1,1291 @@ +import torch +import os +import pandas as pd +import random +from chembl_structure_pipeline import standardizer +from rdkit.Chem import MolStandardize +from rdkit import Chem +import time +import torch +import torch.nn as nn +from torchtext.data import TabularDataset, Field, BucketIterator, Iterator +import random +import os +import torch +import torch.nn as nn +from torch.utils.data import DataLoader +import random +from torch import optim +import numpy as np +import itertools +import time +import statistics +from rdkit.Chem import GraphDescriptors, Lipinski, AllChem +from rdkit.Chem.rdSLNParse import MolFromSLN +from rdkit.Chem.rdmolfiles import MolFromSmiles +import torch +import torch.nn as nn +import torch.optim as optim +import pandas as pd +import numpy as np +from rdkit import rdBase, Chem +import re +from rdkit import RDLogger +RDLogger.DisableLog('rdApp.*') + +SEED = 42 +random.seed(SEED) +torch.manual_seed(SEED) +torch.backends.cudnn.deterministic = True + +################################################################################################## +################################################################################################## +# # +#  THIS SCRIPT IS DIRECTLY ADAPTED FROM https://github.com/LindeSchoenmaker/SMILES-corrector # +# # +################################################################################################## +################################################################################################## +def is_smiles(array, + TRG, + reverse: bool, + return_output=False, + src=None, + src_field=None): + """Turns predicted tokens within batch into smiles and evaluates their validity + Arguments: + array: Tensor with most probable token for each location for each sequence in batch + [trg len, batch size] + TRG: target field for getting tokens from vocab + reverse (bool): True if the target sequence is reversed + return_output (bool): True if output sequences and their validity should be saved + Returns: + df: dataframe with correct and incorrect sequences + valids: list with booleans that show if prediction was a valid SMILES (True) or invalid one (False) + smiless: list of the predicted smiles + """ + trg_field = TRG + valids = [] + smiless = [] + if return_output: + df = pd.DataFrame() + else: + df = None + batch_size = array.size(1) + # check if the first token should be removed, first token is zero because + # outputs initaliazed to all be zeros + if int((array[0, 0]).tolist()) == 0: + start = 1 + else: + start = 0 + # for each sequence in the batch + for i in range(0, batch_size): + # turns sequence from tensor to list skipps first row as this is not + # filled in in forward + sequence = (array[start:, i]).tolist() + # goes from embedded to tokens + trg_tokens = [trg_field.vocab.itos[int(t)] for t in sequence] + # print(trg_tokens) + # takes all tokens untill eos token, model would be faster if did this + # one step earlier, but then changes in vocab order would disrupt. + rev_tokens = list( + itertools.takewhile(lambda x: x != "", trg_tokens)) + if reverse: + rev_tokens = rev_tokens[::-1] + smiles = "".join(rev_tokens) + # determine how many valid smiles are made + valid = True if MolFromSmiles(smiles) else False + valids.append(valid) + smiless.append(smiles) + if return_output: + if valid: + df.loc[i, "CORRECT"] = smiles + else: + df.loc[i, "INCORRECT"] = smiles + + # add the original drugex outputs to the _de dataframe + if return_output and src is not None: + for i in range(0, batch_size): + # turns sequence from tensor to list skipps first row as this is + # for src + sequence = (src[1:, i]).tolist() + # goes from embedded to tokens + src_tokens = [src_field.vocab.itos[int(t)] for t in sequence] + # takes all tokens untill eos token, model would be faster if did + # this one step earlier, but then changes in vocab order would + # disrupt. + rev_tokens = list( + itertools.takewhile(lambda x: x != "", src_tokens)) + smiles = "".join(rev_tokens) + df.loc[i, "ORIGINAL"] = smiles + + return df, valids, smiless + + +def is_unchanged(array, + TRG, + reverse: bool, + return_output=False, + src=None, + src_field=None): + """Checks is output is different from input + Arguments: + array: Tensor with most probable token for each location for each sequence in batch + [trg len, batch size] + TRG: target field for getting tokens from vocab + reverse (bool): True if the target sequence is reversed + return_output (bool): True if output sequences and their validity should be saved + Returns: + df: dataframe with correct and incorrect sequences + valids: list with booleans that show if prediction was a valid SMILES (True) or invalid one (False) + smiless: list of the predicted smiles + """ + trg_field = TRG + sources = [] + batch_size = array.size(1) + unchanged = 0 + + # check if the first token should be removed, first token is zero because + # outputs initaliazed to all be zeros + if int((array[0, 0]).tolist()) == 0: + start = 1 + else: + start = 0 + + for i in range(0, batch_size): + # turns sequence from tensor to list skipps first row as this is + # for src + sequence = (src[1:, i]).tolist() + # goes from embedded to tokens + src_tokens = [src_field.vocab.itos[int(t)] for t in sequence] + # takes all tokens untill eos token, model would be faster if did this + # one step earlier, but then changes in vocab order would disrupt. + rev_tokens = list( + itertools.takewhile(lambda x: x != "", src_tokens)) + smiles = "".join(rev_tokens) + sources.append(smiles) + + # for each sequence in the batch + for i in range(0, batch_size): + # turns sequence from tensor to list skipps first row as this is not + # filled in in forward + sequence = (array[start:, i]).tolist() + # goes from embedded to tokens + trg_tokens = [trg_field.vocab.itos[int(t)] for t in sequence] + # print(trg_tokens) + # takes all tokens untill eos token, model would be faster if did this + # one step earlier, but then changes in vocab order would disrupt. + rev_tokens = list( + itertools.takewhile(lambda x: x != "", trg_tokens)) + if reverse: + rev_tokens = rev_tokens[::-1] + smiles = "".join(rev_tokens) + # determine how many valid smiles are made + valid = True if MolFromSmiles(smiles) else False + if not valid: + if smiles == sources[i]: + unchanged += 1 + + return unchanged + + +def molecule_reconstruction(array, TRG, reverse: bool, outputs): + """Turns target tokens within batch into smiles and compares them to predicted output smiles + Arguments: + array: Tensor with target's token for each location for each sequence in batch + [trg len, batch size] + TRG: target field for getting tokens from vocab + reverse (bool): True if the target sequence is reversed + outputs: list of predicted SMILES sequences + Returns: + matches(int): number of total right molecules + """ + trg_field = TRG + matches = 0 + targets = [] + batch_size = array.size(1) + # for each sequence in the batch + for i in range(0, batch_size): + # turns sequence from tensor to list skipps first row as this is not + # filled in in forward + sequence = (array[1:, i]).tolist() + # goes from embedded to tokens + trg_tokens = [trg_field.vocab.itos[int(t)] for t in sequence] + # takes all tokens untill eos token, model would be faster if did this + # one step earlier, but then changes in vocab order would disrupt. + rev_tokens = list( + itertools.takewhile(lambda x: x != "", trg_tokens)) + if reverse: + rev_tokens = rev_tokens[::-1] + smiles = "".join(rev_tokens) + targets.append(smiles) + for i in range(0, batch_size): + m = MolFromSmiles(targets[i]) + p = MolFromSmiles(outputs[i]) + if p is not None: + if m.HasSubstructMatch(p) and p.HasSubstructMatch(m): + matches += 1 + return matches + + +def complexity_whitlock(mol: Chem.Mol, includeAllDescs=False): + """ + Complexity as defined in DOI:10.1021/jo9814546 + S: complexity = 4*#rings + 2*#unsat + #hetatm + 2*#chiral + Other descriptors: + H: size = #bonds (Hydrogen atoms included) + G: S + H + Ratio: S / H + """ + mol_ = Chem.Mol(mol) + nrings = Lipinski.RingCount(mol_) - Lipinski.NumAromaticRings(mol_) + Chem.rdmolops.SetAromaticity(mol_) + unsat = sum(1 for bond in mol_.GetBonds() + if bond.GetBondTypeAsDouble() == 2) + hetatm = len(mol_.GetSubstructMatches(Chem.MolFromSmarts("[!#6]"))) + AllChem.EmbedMolecule(mol_) + Chem.AssignAtomChiralTagsFromStructure(mol_) + chiral = len(Chem.FindMolChiralCenters(mol_)) + S = 4 * nrings + 2 * unsat + hetatm + 2 * chiral + if not includeAllDescs: + return S + Chem.rdmolops.Kekulize(mol_) + mol_ = Chem.AddHs(mol_) + H = sum(bond.GetBondTypeAsDouble() for bond in mol_.GetBonds()) + G = S + H + R = S / H + return {"WhitlockS": S, "WhitlockH": H, "WhitlockG": G, "WhitlockRatio": R} + + +def complexity_baronechanon(mol: Chem.Mol): + """ + Complexity as defined in DOI:10.1021/ci000145p + """ + mol_ = Chem.Mol(mol) + Chem.Kekulize(mol_) + Chem.RemoveStereochemistry(mol_) + mol_ = Chem.RemoveHs(mol_, updateExplicitCount=True) + degree, counts = 0, 0 + for atom in mol_.GetAtoms(): + degree += 3 * 2**(atom.GetExplicitValence() - atom.GetNumExplicitHs() - + 1) + counts += 3 if atom.GetSymbol() == "C" else 6 + ringterm = sum(map(lambda x: 6 * len(x), mol_.GetRingInfo().AtomRings())) + return degree + counts + ringterm + + +def calc_complexity(array, + TRG, + reverse, + valids, + complexity_function=GraphDescriptors.BertzCT): + """Calculates the complexity of inputs that are not correct. + Arguments: + array: Tensor with target's token for each location for each sequence in batch + [trg len, batch size] + TRG: target field for getting tokens from vocab + reverse (bool): True if the target sequence is reversed + valids: list with booleans that show if prediction was a valid SMILES (True) or invalid one (False) + complexity_function: the type of complexity measure that will be used + GraphDescriptors.BertzCT + complexity_whitlock + complexity_baronechanon + Returns: + matches(int): mean of complexity values + """ + trg_field = TRG + sources = [] + complexities = [] + loc = torch.BoolTensor(valids) + # only keeps rows in batch size dimension where valid is false + array = array[:, loc == False] + # should check if this still works + # array = torch.transpose(array, 0, 1) + array_size = array.size(1) + for i in range(0, array_size): + # turns sequence from tensor to list skipps first row as this is not + # filled in in forward + sequence = (array[1:, i]).tolist() + # goes from embedded to tokens + trg_tokens = [trg_field.vocab.itos[int(t)] for t in sequence] + # takes all tokens untill eos token, model would be faster if did this + # one step earlier, but then changes in vocab order would disrupt. + rev_tokens = list( + itertools.takewhile(lambda x: x != "", trg_tokens)) + if reverse: + rev_tokens = rev_tokens[::-1] + smiles = "".join(rev_tokens) + sources.append(smiles) + for source in sources: + try: + m = MolFromSmiles(source) + except BaseException: + m = MolFromSLN(source) + complexities.append(complexity_function(m)) + if len(complexities) > 0: + mean = statistics.mean(complexities) + else: + mean = 0 + return mean + + +def epoch_time(start_time, end_time): + elapsed_time = end_time - start_time + elapsed_mins = int(elapsed_time / 60) + elapsed_secs = int(elapsed_time - (elapsed_mins * 60)) + return elapsed_mins, elapsed_secs + + +class Convo: + """Class for training and evaluating transformer and convolutional neural network + + Methods + ------- + train_model() + train model for initialized number of epochs + evaluate(return_output) + use model with validation loader (& optionally drugex loader) to get test loss & other metrics + translate(loader) + translate inputs from loader (different from evaluate in that no target sequence is used) + """ + + def train_model(self): + optimizer = optim.Adam(self.parameters(), lr=self.lr) + log = open(f"{self.out}.log", "a") + best_error = np.inf + for epoch in range(self.epochs): + self.train() + start_time = time.time() + loss_train = 0 + for i, batch in enumerate(self.loader_train): + optimizer.zero_grad() + # changed src,trg call to match with bentrevett + # src, trg = batch['src'], batch['trg'] + trg = batch.trg + src = batch.src + output, attention = self(src, trg[:, :-1]) + # feed the source and target into def forward to get the output + # Xuhan uses forward for this, with istrain = true + output_dim = output.shape[-1] + # changed + output = output.contiguous().view(-1, output_dim) + trg = trg[:, 1:].contiguous().view(-1) + # output = output[:,:,0]#.view(-1) + # output = output[1:].view(-1, output.shape[-1]) + # trg = trg[1:].view(-1) + loss = nn.CrossEntropyLoss( + ignore_index=self.TRG.vocab.stoi[self.TRG.pad_token]) + a, b = output.view(-1), trg.to(self.device).view(-1) + # changed + # loss = loss(output.view(0), trg.view(0).to(device)) + loss = loss(output, trg) + loss.backward() + torch.nn.utils.clip_grad_norm_(self.parameters(), self.clip) + optimizer.step() + loss_train += loss.item() + # turned off for now, as not using voc so won't work, output is a tensor + # output = [(trg len - 1) * batch size, output dim] + # smiles, valid = is_valid_smiles(output, reversed) + # if valid: + # valids += 1 + # smiless.append(smiles) + # added .dataset becaue len(iterator) gives len(self.dataset) / + # self.batch_size) + loss_train /= len(self.loader_train) + info = f"Epoch: {epoch+1:02} step: {i} loss_train: {loss_train:.4g}" + # model is used to generate trg based on src from the validation set to assess performance + # similar to Xuhan, although he doesn't use the if loop + if self.loader_valid is not None: + return_output = False + if epoch + 1 == self.epochs: + return_output = True + ( + valids, + loss_valid, + valids_de, + df_output, + df_output_de, + right_molecules, + complexity, + unchanged, + unchanged_de, + ) = self.evaluate(return_output) + reconstruction_error = 1 - right_molecules / len( + self.loader_valid.dataset) + error = 1 - valids / len(self.loader_valid.dataset) + complexity = complexity / len(self.loader_valid) + unchan = unchanged / (len(self.loader_valid.dataset) - valids) + info += f" loss_valid: {loss_valid:.4g} error_rate: {error:.4g} molecule_reconstruction_error_rate: {reconstruction_error:.4g} unchanged: {unchan:.4g} invalid_target_complexity: {complexity:.4g}" + if self.loader_drugex is not None: + error_de = 1 - valids_de / len(self.loader_drugex.dataset) + unchan_de = unchanged_de / ( + len(self.loader_drugex.dataset) - valids_de) + info += f" error_rate_drugex: {error_de:.4g} unchanged_drugex: {unchan_de:.4g}" + + if reconstruction_error < best_error: + torch.save(self.state_dict(), f"{self.out}.pkg") + best_error = reconstruction_error + last_save = epoch + else: + if epoch - last_save >= 10 and best_error != 1: + torch.save(self.state_dict(), f"{self.out}_last.pkg") + ( + valids, + loss_valid, + valids_de, + df_output, + df_output_de, + right_molecules, + complexity, + unchanged, + unchanged_de, + ) = self.evaluate(True) + end_time = time.time() + epoch_mins, epoch_secs = epoch_time( + start_time, end_time) + info += f" Time: {epoch_mins}m {epoch_secs}s" + + break + elif error < best_error: + torch.save(self.state_dict(), f"{self.out}.pkg") + best_error = error + end_time = time.time() + epoch_mins, epoch_secs = epoch_time(start_time, end_time) + info += f" Time: {epoch_mins}m {epoch_secs}s" + + + torch.save(self.state_dict(), f"{self.out}_last.pkg") + log.close() + self.load_state_dict(torch.load(f"{self.out}.pkg")) + df_output.to_csv(f"{self.out}.csv", index=False) + df_output_de.to_csv(f"{self.out}_de.csv", index=False) + + def evaluate(self, return_output): + self.eval() + test_loss = 0 + df_output = pd.DataFrame() + df_output_de = pd.DataFrame() + valids = 0 + valids_de = 0 + unchanged = 0 + unchanged_de = 0 + right_molecules = 0 + complexity = 0 + with torch.no_grad(): + for _, batch in enumerate(self.loader_valid): + trg = batch.trg + src = batch.src + output, attention = self.forward(src, trg[:, :-1]) + pred_token = output.argmax(2) + array = torch.transpose(pred_token, 0, 1) + trg_trans = torch.transpose(trg, 0, 1) + output_dim = output.shape[-1] + output = output.contiguous().view(-1, output_dim) + trg = trg[:, 1:].contiguous().view(-1) + src_trans = torch.transpose(src, 0, 1) + df_batch, valid, smiless = is_smiles( + array, self.TRG, reverse=True, return_output=return_output) + unchanged += is_unchanged( + array, + self.TRG, + reverse=True, + return_output=return_output, + src=src_trans, + src_field=self.SRC, + ) + matches = molecule_reconstruction(trg_trans, + self.TRG, + reverse=True, + outputs=smiless) + complexity += calc_complexity(trg_trans, + self.TRG, + reverse=True, + valids=valid) + if df_batch is not None: + df_output = pd.concat([df_output, df_batch], + ignore_index=True) + right_molecules += matches + valids += sum(valid) + # trg = trg[1:].view(-1) + # output, trg = output[1:].view(-1, output.shape[-1]), trg[1:].view(-1) + loss = nn.CrossEntropyLoss( + ignore_index=self.TRG.vocab.stoi[self.TRG.pad_token]) + loss = loss(output, trg) + test_loss += loss.item() + if self.loader_drugex is not None: + for _, batch in enumerate(self.loader_drugex): + src = batch.src + output = self.translate_sentence(src, self.TRG, + self.device) + # checks the number of valid smiles + pred_token = output.argmax(2) + array = torch.transpose(pred_token, 0, 1) + src_trans = torch.transpose(src, 0, 1) + df_batch, valid, smiless = is_smiles( + array, + self.TRG, + reverse=True, + return_output=return_output, + src=src_trans, + src_field=self.SRC, + ) + unchanged_de += is_unchanged( + array, + self.TRG, + reverse=True, + return_output=return_output, + src=src_trans, + src_field=self.SRC, + ) + if df_batch is not None: + df_output_de = pd.concat([df_output_de, df_batch], + ignore_index=True) + valids_de += sum(valid) + return ( + valids, + test_loss / len(self.loader_valid), + valids_de, + df_output, + df_output_de, + right_molecules, + complexity, + unchanged, + unchanged_de, + ) + + def translate(self, loader): + self.eval() + df_output_de = pd.DataFrame() + valids_de = 0 + with torch.no_grad(): + for _, batch in enumerate(loader): + src = batch.src + output = self.translate_sentence(src, self.TRG, self.device) + # checks the number of valid smiles + pred_token = output.argmax(2) + array = torch.transpose(pred_token, 0, 1) + src_trans = torch.transpose(src, 0, 1) + df_batch, valid, smiless = is_smiles( + array, + self.TRG, + reverse=True, + return_output=True, + src=src_trans, + src_field=self.SRC, + ) + if df_batch is not None: + df_output_de = pd.concat([df_output_de, df_batch], + ignore_index=True) + valids_de += sum(valid) + return valids_de, df_output_de + + +class Encoder(nn.Module): + + def __init__(self, input_dim, hid_dim, n_layers, n_heads, pf_dim, dropout, + max_length, device): + super().__init__() + self.device = device + self.tok_embedding = nn.Embedding(input_dim, hid_dim) + self.pos_embedding = nn.Embedding(max_length, hid_dim) + self.layers = nn.ModuleList([ + EncoderLayer(hid_dim, n_heads, pf_dim, dropout, device) + for _ in range(n_layers) + ]) + + self.dropout = nn.Dropout(dropout) + self.scale = torch.sqrt(torch.FloatTensor([hid_dim])).to(device) + + def forward(self, src, src_mask): + # src = [batch size, src len] + # src_mask = [batch size, src len] + batch_size = src.shape[0] + src_len = src.shape[1] + pos = (torch.arange(0, src_len).unsqueeze(0).repeat(batch_size, + 1).to(self.device)) + # pos = [batch size, src len] + src = self.dropout((self.tok_embedding(src) * self.scale) + + self.pos_embedding(pos)) + # src = [batch size, src len, hid dim] + for layer in self.layers: + src = layer(src, src_mask) + # src = [batch size, src len, hid dim] + return src + + +class EncoderLayer(nn.Module): + + def __init__(self, hid_dim, n_heads, pf_dim, dropout, device): + super().__init__() + + self.self_attn_layer_norm = nn.LayerNorm(hid_dim) + self.ff_layer_norm = nn.LayerNorm(hid_dim) + self.self_attention = MultiHeadAttentionLayer(hid_dim, n_heads, + dropout, device) + self.positionwise_feedforward = PositionwiseFeedforwardLayer( + hid_dim, pf_dim, dropout) + self.dropout = nn.Dropout(dropout) + + def forward(self, src, src_mask): + # src = [batch size, src len, hid dim] + # src_mask = [batch size, src len] + # self attention + _src, _ = self.self_attention(src, src, src, src_mask) + # dropout, residual connection and layer norm + src = self.self_attn_layer_norm(src + self.dropout(_src)) + # src = [batch size, src len, hid dim] + # positionwise feedforward + _src = self.positionwise_feedforward(src) + # dropout, residual and layer norm + src = self.ff_layer_norm(src + self.dropout(_src)) + # src = [batch size, src len, hid dim] + + return src + + +class MultiHeadAttentionLayer(nn.Module): + + def __init__(self, hid_dim, n_heads, dropout, device): + super().__init__() + assert hid_dim % n_heads == 0 + self.hid_dim = hid_dim + self.n_heads = n_heads + self.head_dim = hid_dim // n_heads + self.fc_q = nn.Linear(hid_dim, hid_dim) + self.fc_k = nn.Linear(hid_dim, hid_dim) + self.fc_v = nn.Linear(hid_dim, hid_dim) + self.fc_o = nn.Linear(hid_dim, hid_dim) + self.dropout = nn.Dropout(dropout) + self.scale = torch.sqrt(torch.FloatTensor([self.head_dim])).to(device) + + def forward(self, query, key, value, mask=None): + batch_size = query.shape[0] + # query = [batch size, query len, hid dim] + # key = [batch size, key len, hid dim] + # value = [batch size, value len, hid dim] + Q = self.fc_q(query) + K = self.fc_k(key) + V = self.fc_v(value) + # Q = [batch size, query len, hid dim] + # K = [batch size, key len, hid dim] + # V = [batch size, value len, hid dim] + Q = Q.view(batch_size, -1, self.n_heads, + self.head_dim).permute(0, 2, 1, 3) + K = K.view(batch_size, -1, self.n_heads, + self.head_dim).permute(0, 2, 1, 3) + V = V.view(batch_size, -1, self.n_heads, + self.head_dim).permute(0, 2, 1, 3) + # Q = [batch size, n heads, query len, head dim] + # K = [batch size, n heads, key len, head dim] + # V = [batch size, n heads, value len, head dim] + energy = torch.matmul(Q, K.permute(0, 1, 3, 2)) / self.scale + # energy = [batch size, n heads, query len, key len] + if mask is not None: + energy = energy.masked_fill(mask == 0, -1e10) + attention = torch.softmax(energy, dim=-1) + # attention = [batch size, n heads, query len, key len] + x = torch.matmul(self.dropout(attention), V) + # x = [batch size, n heads, query len, head dim] + x = x.permute(0, 2, 1, 3).contiguous() + # x = [batch size, query len, n heads, head dim] + x = x.view(batch_size, -1, self.hid_dim) + # x = [batch size, query len, hid dim] + x = self.fc_o(x) + # x = [batch size, query len, hid dim] + return x, attention + + +class PositionwiseFeedforwardLayer(nn.Module): + + def __init__(self, hid_dim, pf_dim, dropout): + super().__init__() + self.fc_1 = nn.Linear(hid_dim, pf_dim) + self.fc_2 = nn.Linear(pf_dim, hid_dim) + self.dropout = nn.Dropout(dropout) + + def forward(self, x): + # x = [batch size, seq len, hid dim] + x = self.dropout(torch.relu(self.fc_1(x))) + # x = [batch size, seq len, pf dim] + x = self.fc_2(x) + # x = [batch size, seq len, hid dim] + + return x + + +class Decoder(nn.Module): + + def __init__( + self, + output_dim, + hid_dim, + n_layers, + n_heads, + pf_dim, + dropout, + max_length, + device, + ): + super().__init__() + self.device = device + self.tok_embedding = nn.Embedding(output_dim, hid_dim) + self.pos_embedding = nn.Embedding(max_length, hid_dim) + self.layers = nn.ModuleList([ + DecoderLayer(hid_dim, n_heads, pf_dim, dropout, device) + for _ in range(n_layers) + ]) + self.fc_out = nn.Linear(hid_dim, output_dim) + self.dropout = nn.Dropout(dropout) + self.scale = torch.sqrt(torch.FloatTensor([hid_dim])).to(device) + + def forward(self, trg, enc_src, trg_mask, src_mask): + # trg = [batch size, trg len] + # enc_src = [batch size, src len, hid dim] + # trg_mask = [batch size, trg len] + # src_mask = [batch size, src len] + batch_size = trg.shape[0] + trg_len = trg.shape[1] + pos = (torch.arange(0, trg_len).unsqueeze(0).repeat(batch_size, + 1).to(self.device)) + # pos = [batch size, trg len] + trg = self.dropout((self.tok_embedding(trg) * self.scale) + + self.pos_embedding(pos)) + # trg = [batch size, trg len, hid dim] + for layer in self.layers: + trg, attention = layer(trg, enc_src, trg_mask, src_mask) + # trg = [batch size, trg len, hid dim] + # attention = [batch size, n heads, trg len, src len] + output = self.fc_out(trg) + # output = [batch size, trg len, output dim] + return output, attention + + +class DecoderLayer(nn.Module): + + def __init__(self, hid_dim, n_heads, pf_dim, dropout, device): + super().__init__() + self.self_attn_layer_norm = nn.LayerNorm(hid_dim) + self.enc_attn_layer_norm = nn.LayerNorm(hid_dim) + self.ff_layer_norm = nn.LayerNorm(hid_dim) + self.self_attention = MultiHeadAttentionLayer(hid_dim, n_heads, + dropout, device) + self.encoder_attention = MultiHeadAttentionLayer( + hid_dim, n_heads, dropout, device) + self.positionwise_feedforward = PositionwiseFeedforwardLayer( + hid_dim, pf_dim, dropout) + self.dropout = nn.Dropout(dropout) + + def forward(self, trg, enc_src, trg_mask, src_mask): + # trg = [batch size, trg len, hid dim] + # enc_src = [batch size, src len, hid dim] + # trg_mask = [batch size, trg len] + # src_mask = [batch size, src len] + # self attention + _trg, _ = self.self_attention(trg, trg, trg, trg_mask) + # dropout, residual connection and layer norm + trg = self.self_attn_layer_norm(trg + self.dropout(_trg)) + # trg = [batch size, trg len, hid dim] + # encoder attention + _trg, attention = self.encoder_attention(trg, enc_src, enc_src, + src_mask) + # dropout, residual connection and layer norm + trg = self.enc_attn_layer_norm(trg + self.dropout(_trg)) + # trg = [batch size, trg len, hid dim] + # positionwise feedforward + _trg = self.positionwise_feedforward(trg) + # dropout, residual and layer norm + trg = self.ff_layer_norm(trg + self.dropout(_trg)) + # trg = [batch size, trg len, hid dim] + # attention = [batch size, n heads, trg len, src len] + return trg, attention + + +class Seq2Seq(nn.Module, Convo): + + def __init__( + self, + encoder, + decoder, + src_pad_idx, + trg_pad_idx, + device, + loader_train: DataLoader, + out: str, + loader_valid=None, + loader_drugex=None, + epochs=100, + lr=0.0005, + clip=0.1, + reverse=True, + TRG=None, + SRC=None, + ): + super().__init__() + self.encoder = encoder + self.decoder = decoder + self.src_pad_idx = src_pad_idx + self.trg_pad_idx = trg_pad_idx + self.device = device + self.loader_train = loader_train + self.out = out + self.loader_valid = loader_valid + self.loader_drugex = loader_drugex + self.epochs = epochs + self.lr = lr + self.clip = clip + self.reverse = reverse + self.TRG = TRG + self.SRC = SRC + + def make_src_mask(self, src): + # src = [batch size, src len] + src_mask = (src != self.src_pad_idx).unsqueeze(1).unsqueeze(2) + # src_mask = [batch size, 1, 1, src len] + return src_mask + + def make_trg_mask(self, trg): + # trg = [batch size, trg len] + trg_pad_mask = (trg != self.trg_pad_idx).unsqueeze(1).unsqueeze(2) + # trg_pad_mask = [batch size, 1, 1, trg len] + trg_len = trg.shape[1] + trg_sub_mask = torch.tril( + torch.ones((trg_len, trg_len), device=self.device)).bool() + # trg_sub_mask = [trg len, trg len] + trg_mask = trg_pad_mask & trg_sub_mask + # trg_mask = [batch size, 1, trg len, trg len] + return trg_mask + + def forward(self, src, trg): + # src = [batch size, src len] + # trg = [batch size, trg len] + src_mask = self.make_src_mask(src) + trg_mask = self.make_trg_mask(trg) + # src_mask = [batch size, 1, 1, src len] + # trg_mask = [batch size, 1, trg len, trg len] + enc_src = self.encoder(src, src_mask) + # enc_src = [batch size, src len, hid dim] + output, attention = self.decoder(trg, enc_src, trg_mask, src_mask) + # output = [batch size, trg len, output dim] + # attention = [batch size, n heads, trg len, src len] + return output, attention + + def translate_sentence(self, src, trg_field, device, max_len=202): + self.eval() + src_mask = self.make_src_mask(src) + with torch.no_grad(): + enc_src = self.encoder(src, src_mask) + trg_indexes = [trg_field.vocab.stoi[trg_field.init_token]] + batch_size = src.shape[0] + trg = torch.LongTensor(trg_indexes).unsqueeze(0).to(device) + trg = trg.repeat(batch_size, 1) + for i in range(max_len): + # turned model into self. + trg_mask = self.make_trg_mask(trg) + with torch.no_grad(): + output, attention = self.decoder(trg, enc_src, trg_mask, + src_mask) + pred_tokens = output.argmax(2)[:, -1].unsqueeze(1) + trg = torch.cat((trg, pred_tokens), 1) + + return output + + +def remove_floats(df: pd.DataFrame, subset: str): + """Preprocessing step to remove any entries that are not strings""" + df_subset = df[subset] + df[subset] = df[subset].astype(str) + # only keep entries that stayed the same after applying astype str + df = df[df[subset] == df_subset].copy() + + return df + + +def smi_tokenizer(smi: str, reverse=False) -> list: + """ + Tokenize a SMILES molecule + """ + pattern = r"(\[[^\]]+]|Br?|Cl?|N|O|S|P|F|I|b|c|n|o|s|p|\(|\)|\.|=|#|-|\+|\\\\|\\|\/|:|~|@|\?|>|\*|\$|\%[0-9]{2}|[0-9])" + regex = re.compile(pattern) + # tokens = [''] + [token for token in regex.findall(smi)] + [''] + tokens = [token for token in regex.findall(smi)] + # assert smi == ''.join(tokens[1:-1]) + assert smi == "".join(tokens[:]) + # try: + # assert smi == "".join(tokens[:]) + # except: + # print(smi) + # print("".join(tokens[:])) + if reverse: + return tokens[::-1] + return tokens + + +def init_weights(m: nn.Module): + if hasattr(m, "weight") and m.weight.dim() > 1: + nn.init.xavier_uniform_(m.weight.data) + + +def count_parameters(model: nn.Module): + return sum(p.numel() for p in model.parameters() if p.requires_grad) + + +def epoch_time(start_time, end_time): + elapsed_time = end_time - start_time + elapsed_mins = int(elapsed_time / 60) + elapsed_secs = int(elapsed_time - (elapsed_mins * 60)) + return elapsed_mins, elapsed_secs + + +def initialize_model(folder_out: str, + data_source: str, + error_source: str, + device: torch.device, + threshold: int, + epochs: int, + layers: int = 3, + batch_size: int = 16, + invalid_type: str = "all", + num_errors: int = 1, + validation_step=False): + """Create encoder decoder models for specified model (currently only translator) & type of invalid SMILES + + param data: collection of invalid, valid SMILES pairs + param invalid_smiles_path: path to previously generated invalid SMILES + param invalid_type: type of errors introduced into invalid SMILES + + return: + + """ + + # set fields + SRC = Field( + tokenize=lambda x: smi_tokenizer(x), + init_token="", + eos_token="", + batch_first=True, + ) + TRG = Field( + tokenize=lambda x: smi_tokenizer(x, reverse=True), + init_token="", + eos_token="", + batch_first=True, + ) + + if validation_step: + train, val = TabularDataset.splits( + path=f'{folder_out}errors/split/', + train=f"{data_source}_{invalid_type}_{num_errors}_errors_train.csv", + validation= + f"{data_source}_{invalid_type}_{num_errors}_errors_dev.csv", + format="CSV", + skip_header=False, + fields={ + "ERROR": ("src", SRC), + "STD_SMILES": ("trg", TRG) + }, + ) + SRC.build_vocab(train, val, max_size=1000) + TRG.build_vocab(train, val, max_size=1000) + else: + train = TabularDataset( + path= + f'{folder_out}{data_source}_{invalid_type}_{num_errors}_errors.csv', + format="CSV", + skip_header=False, + fields={ + "ERROR": ("src", SRC), + "STD_SMILES": ("trg", TRG) + }, + ) + SRC.build_vocab(train, max_size=1000) + TRG.build_vocab(train, max_size=1000) + + drugex = TabularDataset( + path=error_source, + format="csv", + skip_header=False, + fields={ + "SMILES": ("src", SRC), + "SMILES_TARGET": ("trg", TRG) + }, + ) + + + #SRC.vocab = torch.load('vocab_src.pth') + #TRG.vocab = torch.load('vocab_trg.pth') + + # model parameters + EPOCHS = epochs + BATCH_SIZE = batch_size + INPUT_DIM = len(SRC.vocab) + OUTPUT_DIM = len(TRG.vocab) + HID_DIM = 256 + ENC_LAYERS = layers + DEC_LAYERS = layers + ENC_HEADS = 8 + DEC_HEADS = 8 + ENC_PF_DIM = 512 + DEC_PF_DIM = 512 + ENC_DROPOUT = 0.1 + DEC_DROPOUT = 0.1 + SRC_PAD_IDX = SRC.vocab.stoi[SRC.pad_token] + TRG_PAD_IDX = TRG.vocab.stoi[TRG.pad_token] + # add 2 to length for start and stop tokens + MAX_LENGTH = threshold + 2 + + # model name + MODEL_OUT_FOLDER = f"{folder_out}" + + MODEL_NAME = "transformer_%s_%s_%s_%s_%s" % ( + invalid_type, num_errors, data_source, BATCH_SIZE, layers) + if not os.path.exists(MODEL_OUT_FOLDER): + os.mkdir(MODEL_OUT_FOLDER) + + out = os.path.join(MODEL_OUT_FOLDER, MODEL_NAME) + + torch.save(SRC.vocab, f'{out}_vocab_src.pth') + torch.save(TRG.vocab, f'{out}_vocab_trg.pth') + + # iterator is a dataloader + # iterator to pass to the same length and create batches in which the + # amount of padding is minimized + if validation_step: + train_iter, val_iter = BucketIterator.splits( + (train, val), + batch_sizes=(BATCH_SIZE, 256), + sort_within_batch=True, + shuffle=True, + # the BucketIterator needs to be told what function it should use to + # group the data. + sort_key=lambda x: len(x.src), + device=device, + ) + else: + train_iter = BucketIterator( + train, + batch_size=BATCH_SIZE, + sort_within_batch=True, + shuffle=True, + # the BucketIterator needs to be told what function it should use to + # group the data. + sort_key=lambda x: len(x.src), + device=device, + ) + val_iter = None + + drugex_iter = Iterator( + drugex, + batch_size=64, + device=device, + sort=False, + sort_within_batch=True, + sort_key=lambda x: len(x.src), + repeat=False, + ) + + + # model initialization + + enc = Encoder( + INPUT_DIM, + HID_DIM, + ENC_LAYERS, + ENC_HEADS, + ENC_PF_DIM, + ENC_DROPOUT, + MAX_LENGTH, + device, + ) + dec = Decoder( + OUTPUT_DIM, + HID_DIM, + DEC_LAYERS, + DEC_HEADS, + DEC_PF_DIM, + DEC_DROPOUT, + MAX_LENGTH, + device, + ) + + model = Seq2Seq( + enc, + dec, + SRC_PAD_IDX, + TRG_PAD_IDX, + device, + train_iter, + out=out, + loader_valid=val_iter, + loader_drugex=drugex_iter, + epochs=EPOCHS, + TRG=TRG, + SRC=SRC, + ).to(device) + + + + + return model, out, SRC + + +def train_model(model, out, assess): + """Apply given weights (& assess performance or train further) or start training new model + + Args: + model: initialized model + out: .pkg file with model parameters + asses: bool + + Returns: + model with (new) weights + """ + + if os.path.exists(f"{out}.pkg") and assess: + + + model.load_state_dict(torch.load(f=out + ".pkg")) + ( + valids, + loss_valid, + valids_de, + df_output, + df_output_de, + right_molecules, + complexity, + unchanged, + unchanged_de, + ) = model.evaluate(True) + + + # log = open('unchanged.log', 'a') + # info = f'type: comb unchanged: {unchan:.4g} unchanged_drugex: {unchan_de:.4g}' + # print(info, file=log, flush = True) + # print(valids_de) + # print(unchanged_de) + + # print(unchan) + # print(unchan_de) + # df_output_de.to_csv(f'{out}_de_new.csv', index = False) + + # error_de = 1 - valids_de / len(drugex_iter.dataset) + # print(error_de) + # df_output.to_csv(f'{out}_par.csv', index = False) + + elif os.path.exists(f"{out}.pkg"): + + # starts from the model after the last epoch, not the best epoch + model.load_state_dict(torch.load(f=out + "_last.pkg")) + # need to change how log file names epochs + model.train_model() + else: + + model = model.apply(init_weights) + model.train_model() + + return model + + +def correct_SMILES(model, out, error_source, device, SRC): + """Model that is given corrects SMILES and return number of correct ouputs and dataframe containing all outputs + Args: + model: initialized model + out: .pkg file with model parameters + asses: bool + + Returns: + valids: number of fixed outputs + df_output: dataframe containing output (either correct or incorrect) & original input + """ + ## account for tokens that are not yet in SRC without changing existing SRC token embeddings + errors = TabularDataset( + path=error_source, + format="csv", + skip_header=False, + fields={"SMILES": ("src", SRC)}, + ) + + errors_loader = Iterator( + errors, + batch_size=64, + device=device, + sort=False, + sort_within_batch=True, + sort_key=lambda x: len(x.src), + repeat=False, + ) + model.load_state_dict(torch.load(f=out + ".pkg",map_location=torch.device('cpu'))) + # add option to use different iterator maybe? + + valids, df_output = model.translate(errors_loader) + #df_output.to_csv(f"{error_source}_fixed.csv", index=False) + + + return valids, df_output + + + +class smi_correct(object): + def __init__(self, model_name, trans_file_path): + # set random seed, used for error generation & initiation transformer + + self.SEED = 42 + random.seed(self.SEED) + self.model_name = model_name + self.folder_out = "DrugGEN/data/" + + self.trans_file_path = trans_file_path + + if not os.path.exists(self.folder_out): + os.makedirs(self.folder_out) + + self.invalid_type = 'multiple' + self.num_errors = 12 + self.threshold = 200 + self.data_source = f"PAPYRUS_{self.threshold}" + os.environ["CUDA_VISIBLE_DEVICES"] = "0" + self.initialize_source = 'DrugGEN/data/papyrus_rnn_S.csv' # change this path + + def standardization_pipeline(self, smile): + desalter = MolStandardize.fragment.LargestFragmentChooser() + std_smile = None + if not isinstance(smile, str): return None + m = Chem.MolFromSmiles(smile) + # skips smiles for which no mol file could be generated + if m is not None: + # standardizes + std_m = standardizer.standardize_mol(m) + # strips salts + std_m_p, exclude = standardizer.get_parent_mol(std_m) + if not exclude: + # choose largest fragment for rare cases where chembl structure + # pipeline leaves 2 fragments + std_m_p_d = desalter.choose(std_m_p) + std_smile = Chem.MolToSmiles(std_m_p_d) + return std_smile + + def remove_smiles_duplicates(self, dataframe: pd.DataFrame, + subset: str) -> pd.DataFrame: + return dataframe.drop_duplicates(subset=subset) + + def correct(self, smi): + + device = torch.device("cuda" if torch.cuda.is_available() else "cpu") + + model, out, SRC = initialize_model(self.folder_out, + self.data_source, + error_source=self.initialize_source, + device=device, + threshold=self.threshold, + epochs=30, + layers=3, + batch_size=16, + invalid_type=self.invalid_type, + num_errors=self.num_errors) + + valids, df_output = correct_SMILES(model, out, smi, device, + SRC) + + df_output["SMILES"] = df_output.apply(lambda row: self.standardization_pipeline(row["CORRECT"]), axis=1) + + df_output = self.remove_smiles_duplicates(df_output, subset="SMILES").drop(columns=["CORRECT", "INCORRECT", "ORIGINAL"]).dropna() + + return df_output \ No newline at end of file diff --git a/train.py b/train.py new file mode 100644 index 0000000..21afcf4 --- /dev/null +++ b/train.py @@ -0,0 +1,484 @@ +import os +import time +import pickle +import random +import argparse + +import torch +from torch import nn +from torch_geometric.loader import DataLoader +import torch.utils.data +import wandb +from rdkit import RDLogger +torch.set_num_threads(5) +RDLogger.DisableLog('rdApp.*') + +from utils import * +from models import Generator, Discriminator, simple_disc +from new_dataloader import DruggenDataset +from loss import discriminator_loss, generator_loss +from training_data import load_molecules + +class Train(object): + """Trainer for DrugGEN.""" + + def __init__(self, config): + if config.set_seed: + np.random.seed(config.seed) + random.seed(config.seed) + torch.manual_seed(config.seed) + torch.cuda.manual_seed_all(config.seed) + + torch.backends.cudnn.deterministic = True + torch.backends.cudnn.benchmark = False + + os.environ["PYTHONHASHSEED"] = str(config.seed) + + print(f'Using seed {config.seed}') + + self.device = torch.device("cuda" if torch.cuda.is_available() else 'cpu') + + # Initialize configurations + self.submodel = config.submodel + + # Data loader. + self.raw_file = config.raw_file # SMILES containing text file for dataset. + # Write the full path to file. + self.drug_raw_file = config.drug_raw_file # SMILES containing text file for second dataset. + # Write the full path to file. + self.dataset_file = config.dataset_file # Dataset file name for the GAN. + # Contains large number of molecules. + self.drugs_dataset_file = config.drug_dataset_file # Drug dataset file name for the second GAN. + # Contains drug molecules only. (In this case AKT1 inhibitors.) + + self.mol_data_dir = config.mol_data_dir # Directory where the dataset files are stored. + self.drug_data_dir = config.drug_data_dir # Directory where the drug dataset files are stored. + self.dataset_name = self.dataset_file.split(".")[0] + self.drugs_name = self.drugs_dataset_file.split(".")[0] + self.max_atom = config.max_atom # Model is based on one-shot generation. + # Max atom number for molecules must be specified. + self.features = config.features # Small model uses atom types as node features. (Boolean, False uses atom types only.) + # Additional node features can be added. Please check new_dataloarder.py Line 102. + self.batch_size = config.batch_size # Batch size for training. + + self.parallel = config.parallel + + self.dataset = DruggenDataset(self.mol_data_dir, + self.dataset_file, + self.raw_file, + self.max_atom, + self.features) # Dataset for the GAN. Custom dataset class from PyG parent class. + # Can create any molecular graph dataset given smiles string. + # Nonisomeric SMILES are suggested but not necessary. + # Uses sparse matrix representation for graphs, + # For computational and speed efficiency. + + self.loader = DataLoader(self.dataset, + shuffle=True, + batch_size=self.batch_size, + drop_last=True) # PyG dataloader for the GAN. + + self.drugs = DruggenDataset(self.drug_data_dir, + self.drugs_dataset_file, + self.drug_raw_file, + self.max_atom, + self.features) # Dataset for the second GAN. Custom dataset class from PyG parent class. + # Can create any molecular graph dataset given smiles string. + # Nonisomeric SMILES are suggested but not necessary. + # Uses sparse matrix representation for graphs, + # For computational and speed efficiency. + + self.drugs_loader = DataLoader(self.drugs, + shuffle=True, + batch_size=self.batch_size, + drop_last=True) # PyG dataloader for the second GAN. + + # Atom and bond type dimensions for the construction of the model. + self.atom_decoders = self.decoder_load("atom") # Atom type decoders for GAN. + # eg. 0:0, 1:6 (C), 2:7 (N), 3:8 (O), 4:9 (F) + self.bond_decoders = self.decoder_load("bond") # Bond type decoders for GAN. + # eg. 0: (no-bond), 1: (single), 2: (double), 3: (triple), 4: (aromatic) + self.m_dim = len(self.atom_decoders) if not self.features else int(self.loader.dataset[0].x.shape[1]) # Atom type dimension. + self.b_dim = len(self.bond_decoders) # Bond type dimension. + self.vertexes = int(self.loader.dataset[0].x.shape[0]) # Number of nodes in the graph. + self.drugs_atom_decoders = self.drug_decoder_load("atom") # Atom type decoders for second GAN. + # eg. 0:0, 1:6 (C), 2:7 (N), 3:8 (O), 4:9 (F) + self.drugs_bond_decoders = self.drug_decoder_load("bond") # Bond type decoders for second GAN. + # eg. 0: (no-bond), 1: (single), 2: (double), 3: (triple), 4: (aromatic) + self.drugs_m_dim = len(self.drugs_atom_decoders) if not self.features else int(self.drugs_loader.dataset[0].x.shape[1]) # Atom type dimension. + self.drugs_b_dim = len(self.drugs_bond_decoders) # Bond type dimension. + self.drug_vertexes = int(self.drugs_loader.dataset[0].x.shape[0]) # Number of nodes in the graph. + + # Transformer and Convolution configurations. + self.act = config.act + self.lambda_gp = config.lambda_gp + self.dim = config.dim + self.depth = config.depth + self.heads = config.heads + self.mlp_ratio = config.mlp_ratio + self.ddepth = config.ddepth + self.ddropout = config.ddropout + + # Training configurations. + self.epoch = config.epoch + self.g_lr = config.g_lr + self.d_lr = config.d_lr + self.dropout = config.dropout + self.beta1 = config.beta1 + self.beta2 = config.beta2 + + # Directories. + self.log_dir = config.log_dir + self.sample_dir = config.sample_dir + self.model_save_dir = config.model_save_dir + + # Step size. + self.log_step = config.log_sample_step + + # resume training + self.resume = config.resume + self.resume_epoch = config.resume_epoch + self.resume_iter = config.resume_iter + self.resume_directory = config.resume_directory + + # wandb configuration + self.use_wandb = config.use_wandb + self.online = config.online + self.exp_name = config.exp_name + + # Arguments for the model. + self.arguments = "{}_{}_glr{}_dlr{}_dim{}_depth{}_heads{}_batch{}_epoch{}_dataset{}_dropout{}".format(self.exp_name, self.submodel, self.g_lr, self.d_lr, self.dim, self.depth, self.heads, self.batch_size, self.epoch, self.dataset_name, self.dropout) + + self.build_model(self.model_save_dir, self.arguments) + + + def build_model(self, model_save_dir, arguments): + """Create generators and discriminators.""" + + ''' Generator is based on Transformer Encoder: + + @ g_conv_dim: Dimensions for MLP layers before Transformer Encoder + @ vertexes: maximum length of generated molecules (atom length) + @ b_dim: number of bond types + @ m_dim: number of atom types (or number of features used) + @ dropout: dropout possibility + @ dim: Hidden dimension of Transformer Encoder + @ depth: Transformer layer number + @ heads: Number of multihead-attention heads + @ mlp_ratio: Read-out layer dimension of Transformer + @ drop_rate: depricated + @ tra_conv: Whether module creates output for TransformerConv discriminator + ''' + self.G = Generator(self.act, + self.vertexes, + self.b_dim, + self.m_dim, + self.dropout, + dim=self.dim, + depth=self.depth, + heads=self.heads, + mlp_ratio=self.mlp_ratio) + + ''' Discriminator implementation with Transformer Encoder: + + @ act: Activation function for MLP + @ vertexes: maximum length of generated molecules (molecule length) + @ b_dim: number of bond types + @ m_dim: number of atom types (or number of features used) + @ dropout: dropout possibility + @ dim: Hidden dimension of Transformer Encoder + @ depth: Transformer layer number + @ heads: Number of multihead-attention heads + @ mlp_ratio: Read-out layer dimension of Transformer''' + + if self.submodel == "DrugGEN": + self.D = Discriminator(self.act, + self.vertexes, + self.b_dim, + self.m_dim, + self.ddropout, + dim=self.dim, + depth=self.ddepth, + heads=self.heads, + mlp_ratio=self.mlp_ratio) + elif self.submodel == "NoTarget": + self.D = simple_disc(self.act, self.drugs_m_dim, self.drug_vertexes, self.drugs_b_dim) + + self.g_optimizer = torch.optim.AdamW(self.G.parameters(), self.g_lr, [self.beta1, self.beta2]) + self.d_optimizer = torch.optim.AdamW(self.D.parameters(), self.d_lr, [self.beta1, self.beta2]) + + network_path = os.path.join(model_save_dir, arguments) + self.print_network(self.G, 'G', network_path) + self.print_network(self.D, 'D', network_path) + + if self.parallel and torch.cuda.device_count() > 1: + print(f"Using {torch.cuda.device_count()} GPUs!") + self.G = nn.DataParallel(self.G) + self.D = nn.DataParallel(self.D) + + self.G.to(self.device) + self.D.to(self.device) + + + def decoder_load(self, dictionary_name): + ''' Loading the atom and bond decoders''' + with open("DrugGEN/data/decoders/" + dictionary_name + "_" + self.dataset_name + '.pkl', 'rb') as f: + return pickle.load(f) + + + def drug_decoder_load(self, dictionary_name): + ''' Loading the atom and bond decoders''' + with open("DrugGEN/data/decoders/" + dictionary_name +"_" + self.drugs_name +'.pkl', 'rb') as f: + return pickle.load(f) + + + def print_network(self, model, name, save_dir): + """Print out the network information.""" + num_params = 0 + for p in model.parameters(): + num_params += p.numel() + + if not os.path.exists(save_dir): + os.makedirs(save_dir) + + network_path = os.path.join(save_dir, "{}_modules.txt".format(name)) + with open(network_path, "w+") as file: + for module in model.modules(): + file.write(f"{module.__class__.__name__}:\n") + print(module.__class__.__name__) + for n, param in module.named_parameters(): + if param is not None: + file.write(f" - {n}: {param.size()}\n") + print(f" - {n}: {param.size()}") + break + file.write(f"Total number of parameters: {num_params}\n") + print(f"Total number of parameters: {num_params}\n\n") + + + def restore_model(self, epoch, iteration, model_directory): + """Restore the trained generator and discriminator.""" + print('Loading the trained models from epoch / iteration {}-{}...'.format(epoch, iteration)) + + G_path = os.path.join(model_directory, '{}-{}-G.ckpt'.format(epoch, iteration)) + D_path = os.path.join(model_directory, '{}-{}-D.ckpt'.format(epoch, iteration)) + self.G.load_state_dict(torch.load(G_path, map_location=lambda storage, loc: storage)) + self.D.load_state_dict(torch.load(D_path, map_location=lambda storage, loc: storage)) + + + def save_model(self, model_directory, idx,i): + G_path = os.path.join(model_directory, '{}-{}-G.ckpt'.format(idx+1,i+1)) + D_path = os.path.join(model_directory, '{}-{}-D.ckpt'.format(idx+1,i+1)) + torch.save(self.G.state_dict(), G_path) + torch.save(self.D.state_dict(), D_path) + + + def reset_grad(self): + """Reset the gradient buffers.""" + self.g_optimizer.zero_grad() + self.d_optimizer.zero_grad() + + + def gradient_penalty(self, y, x): + """Compute gradient penalty: (L2_norm(dy/dx) - 1)**2.""" + weight = torch.ones(y.size(),requires_grad=False).to(self.device) + dydx = torch.autograd.grad(outputs=y, + inputs=x, + grad_outputs=weight, + retain_graph=True, + create_graph=True, + only_inputs=True)[0] + dydx = dydx.view(dydx.size(0), -1) + gradient_penalty = ((dydx.norm(2, dim=1) - 1) ** 2).mean() + return gradient_penalty + + + def train(self, config): + ''' Training Script starts from here''' + + if self.use_wandb: + mode = 'online' if self.online else 'offline' + else: + mode = 'disabled' + kwargs = {'name': self.exp_name, 'project': 'druggen', 'config': config, + 'settings': wandb.Settings(_disable_stats=True), 'reinit': True, 'mode': mode, 'save_code': True} + wandb.init(**kwargs) + + wandb.save(os.path.join(self.model_save_dir, self.arguments, "G_modules.txt")) + wandb.save(os.path.join(self.model_save_dir, self.arguments, "D_modules.txt")) + + self.model_directory = os.path.join(self.model_save_dir, self.arguments) + self.sample_directory = os.path.join(self.sample_dir, self.arguments) + self.log_path = os.path.join(self.log_dir, "{}.txt".format(self.arguments)) + if not os.path.exists(self.model_directory): + os.makedirs(self.model_directory) + if not os.path.exists(self.sample_directory): + os.makedirs(self.sample_directory) + + # molecular data + drug_smiles = [line for line in open("DrugGEN/data/akt_train.smi", 'r').read().splitlines()] + drug_mols = [Chem.MolFromSmiles(smi) for smi in drug_smiles] + drug_vecs = [AllChem.GetMorganFingerprintAsBitVect(x, 2, nBits=1024) for x in drug_mols if x is not None] + + + if self.resume: + self.restore_model(self.resume_epoch, self.resume_iter, self.resume_directory) + + # Start training. + print('Start training...') + self.start_time = time.time() + for idx in range(self.epoch): + # =================================================================================== # + # 1. Preprocess input data # + # =================================================================================== # + # Load the data + dataloader_iterator = iter(self.drugs_loader) + + wandb.log({"epoch": idx}) + + for i, data in enumerate(self.loader): + try: + drugs = next(dataloader_iterator) + except StopIteration: + dataloader_iterator = iter(self.drugs_loader) + drugs = next(dataloader_iterator) + + wandb.log({"iter": i}) + + # Preprocess both dataset + real_graphs, a_tensor, x_tensor = load_molecules( + data=data, + batch_size=self.batch_size, + device=self.device, + b_dim=self.b_dim, + m_dim=self.m_dim, + ) + + drug_graphs, drugs_a_tensor, drugs_x_tensor = load_molecules( + data=drugs, + batch_size=self.batch_size, + device=self.device, + b_dim=self.drugs_b_dim, + m_dim=self.drugs_m_dim, + ) + + # Training configuration. + if self.submodel == "DrugGEN": + DISC_node = drugs_x_tensor + DISC_edge = drugs_a_tensor + elif self.submodel == "NoTarget": + DISC_node = real_graphs + DISC_edge = real_graphs + + # =================================================================================== # + # 2. Train the GAN # + # =================================================================================== # + + loss = {} + self.reset_grad() + # Compute discriminator loss. + node, edge, d_loss = discriminator_loss(self.G, + self.D, + drugs_a_tensor, + drugs_x_tensor, + self.batch_size, + self.device, + self.gradient_penalty, + self.lambda_gp, + DISC_edge, + DISC_node, + self.submodel) + d_total = d_loss + wandb.log({"d_loss": d_total.item()}) + + loss["d_total"] = d_total.item() + d_total.backward() + self.d_optimizer.step() + + self.reset_grad() + + # Compute generator loss. + generator_output = generator_loss(self.G, + self.D, + DISC_edge, + DISC_node, + self.batch_size, + self.submodel) + g_loss, node, edge, node_sample, edge_sample = generator_output + g_total = g_loss + wandb.log({"g_loss": g_total.item()}) + + loss["g_total"] = g_total.item() + g_total.backward() + self.g_optimizer.step() + + # Logging. + if (i+1) % self.log_step == 0: + logging(self.log_path, self.start_time, i, idx, loss, self.sample_directory, + drug_smiles,edge_sample, node_sample, self.dataset.matrices2mol, + self.dataset_name, a_tensor, x_tensor, drug_vecs) + + mol_sample(self.sample_directory, edge_sample.detach(), node_sample.detach(), + idx, i, self.dataset.matrices2mol, self.dataset_name) + + self.save_model(self.model_directory, idx, i) + print("model saved at epoch {} and iteration {}".format(idx,i)) + + +if __name__ == '__main__': + parser = argparse.ArgumentParser() + + # Data configuration. + parser.add_argument('--dataset_file', type=str, default='chembl45_train.pt') + parser.add_argument('--drug_dataset_file', type=str, default='akt_train.pt') + parser.add_argument('--raw_file', type=str, default='DrugGEN/data/chembl_train.smi') + parser.add_argument('--drug_raw_file', type=str, default='DrugGEN/data/akt_train.smi') + parser.add_argument('--drug_data_dir', type=str, default='DrugGEN/data') + parser.add_argument('--mol_data_dir', type=str, default='DrugGEN/data') + parser.add_argument('--features', type=str2bool, default=False, help='features dimension for nodes') + + + # Model configuration. + parser.add_argument('--submodel', type=str, default="DrugGEN", help="Chose model subtype: DrugGEN, NoTarget", choices=['DrugGEN', 'NoTarget']) + parser.add_argument('--act', type=str, default="relu", help="Activation function for the model.", choices=['relu', 'tanh', 'leaky', 'sigmoid']) + parser.add_argument('--max_atom', type=int, default=45, help='Max atom number for molecules must be specified.') + parser.add_argument('--dim', type=int, default=128, help='Dimension of the Transformer Encoder model for the GAN.') + parser.add_argument('--depth', type=int, default=1, help='Depth of the Transformer model from the GAN.') + parser.add_argument('--ddepth', type=int, default=1, help='Depth of the Transformer model from the discriminator.') + parser.add_argument('--heads', type=int, default=8, help='Number of heads for the MultiHeadAttention module from the GAN.') + parser.add_argument('--mlp_ratio', type=int, default=3, help='MLP ratio for the Transformer.') + parser.add_argument('--dropout', type=float, default=0., help='dropout rate') + parser.add_argument('--ddropout', type=float, default=0., help='dropout rate for the discriminator') + parser.add_argument('--lambda_gp', type=float, default=10, help='Gradient penalty lambda multiplier for the GAN.') + + + # Training configuration. + parser.add_argument('--batch_size', type=int, default=128, help='Batch size for the training.') + parser.add_argument('--epoch', type=int, default=10, help='Epoch number for Training.') + parser.add_argument('--g_lr', type=float, default=0.00001, help='learning rate for G') + parser.add_argument('--d_lr', type=float, default=0.00001, help='learning rate for D') + parser.add_argument('--beta1', type=float, default=0.9, help='beta1 for Adam optimizer') + parser.add_argument('--beta2', type=float, default=0.999, help='beta2 for Adam optimizer') + parser.add_argument('--log_dir', type=str, default='DrugGEN/experiments/logs') + parser.add_argument('--sample_dir', type=str, default='DrugGEN/experiments/samples') + parser.add_argument('--model_save_dir', type=str, default='DrugGEN/experiments/models') + parser.add_argument('--log_sample_step', type=int, default=1000, help='step size for sampling during training') + + # Resume training. + parser.add_argument('--resume', type=bool, default=False, help='resume training') + parser.add_argument('--resume_epoch', type=int, default=None, help='resume training from this epoch') + parser.add_argument('--resume_iter', type=int, default=None, help='resume training from this step') + parser.add_argument('--resume_directory', type=str, default=None, help='load pretrained weights from this directory') + + # Seed configuration. + parser.add_argument('--set_seed', type=bool, default=False, help='set seed for reproducibility') + parser.add_argument('--seed', type=int, default=1, help='seed for reproducibility') + + # wandb configuration. + parser.add_argument('--use_wandb', type=bool, default=False, help='use wandb for logging') + parser.add_argument('--online', type=bool, default=True, help='use wandb online') + parser.add_argument('--exp_name', type=str, default='druggen', help='experiment name') + parser.add_argument('--parallel', type=bool, default=False, help='Parallelize training') + + config = parser.parse_args() + trainer = Train(config) + trainer.train(config) diff --git a/trainer.py b/trainer.py deleted file mode 100644 index 29ef280..0000000 --- a/trainer.py +++ /dev/null @@ -1,653 +0,0 @@ -import os -import time -import pickle -import random -from tqdm import tqdm - -from torch import nn -import torch -from torch_geometric.loader import DataLoader -import torch.utils.data -from rdkit import RDLogger -from rdkit.Chem.Scaffolds import MurckoScaffold -torch.set_num_threads(5) -RDLogger.DisableLog('rdApp.*') - -from utils import * -from models import Generator, Generator2, simple_disc -from new_dataloader import DruggenDataset -from loss import discriminator_loss, generator_loss, discriminator2_loss, generator2_loss -from training_data import load_data - - -class Trainer(object): - """Trainer for training and testing DrugGEN.""" - - def __init__(self, config): - if config.set_seed: - np.random.seed(config.seed) - random.seed(config.seed) - torch.manual_seed(config.seed) - torch.cuda.manual_seed(config.seed) - - torch.backends.cudnn.deterministic = True - torch.backends.cudnn.benchmark = False - - os.environ["PYTHONHASHSEED"] = str(config.seed) - - print(f'Using seed {config.seed}') - - self.device = torch.device("cuda" if torch.cuda.is_available() else 'cpu') - - # Initialize configurations - self.submodel = config.submodel - self.inference_model = config.inference_model - - # Data loader. - self.raw_file = config.raw_file # SMILES containing text file for first dataset. - # Write the full path to file. - self.drug_raw_file = config.drug_raw_file # SMILES containing text file for second dataset. - # Write the full path to file. - self.dataset_file = config.dataset_file # Dataset file name for the first GAN. - # Contains large number of molecules. - self.drugs_dataset_file = config.drug_dataset_file # Drug dataset file name for the second GAN. - # Contains drug molecules only. (In this case AKT1 inhibitors.) - self.inf_raw_file = config.inf_raw_file # SMILES containing text file for first dataset. - # Write the full path to file. - self.inf_drug_raw_file = config.inf_drug_raw_file # SMILES containing text file for second dataset. - # Write the full path to file. - self.inf_dataset_file = config.inf_dataset_file # Dataset file name for the first GAN. - # Contains large number of molecules. - self.inf_drugs_dataset_file = config.inf_drug_dataset_file # Drug dataset file name for the second GAN. - # Contains drug molecules only. (In this case AKT1 inhibitors.) - self.inference_iterations = config.inference_iterations - self.inf_batch_size = config.inf_batch_size - self.mol_data_dir = config.mol_data_dir # Directory where the dataset files are stored. - self.drug_data_dir = config.drug_data_dir # Directory where the drug dataset files are stored. - self.dataset_name = self.dataset_file.split(".")[0] - self.drugs_name = self.drugs_dataset_file.split(".")[0] - self.max_atom = config.max_atom # Model is based on one-shot generation. - # Max atom number for molecules must be specified. - self.features = config.features # Small model uses atom types as node features. (Boolean, False uses atom types only.) - # Additional node features can be added. Please check new_dataloarder.py Line 102. - self.batch_size = config.batch_size # Batch size for training. - - self.dataset = DruggenDataset(self.mol_data_dir, - self.dataset_file, - self.raw_file, - self.max_atom, - self.features) # Dataset for the first GAN. Custom dataset class from PyG parent class. - # Can create any molecular graph dataset given smiles string. - # Nonisomeric SMILES are suggested but not necessary. - # Uses sparse matrix representation for graphs, - # For computational and speed efficiency. - - self.loader = DataLoader(self.dataset, - shuffle=True, - batch_size=self.batch_size, - drop_last=True) # PyG dataloader for the first GAN. - - self.drugs = DruggenDataset(self.drug_data_dir, - self.drugs_dataset_file, - self.drug_raw_file, - self.max_atom, - self.features) # Dataset for the second GAN. Custom dataset class from PyG parent class. - # Can create any molecular graph dataset given smiles string. - # Nonisomeric SMILES are suggested but not necessary. - # Uses sparse matrix representation for graphs, - # For computational and speed efficiency. - - self.drugs_loader = DataLoader(self.drugs, - shuffle=True, - batch_size=self.batch_size, - drop_last=True) # PyG dataloader for the second GAN. - - # Atom and bond type dimensions for the construction of the model. - self.atom_decoders = self.decoder_load("atom") # Atom type decoders for first GAN. - # eg. 0:0, 1:6 (C), 2:7 (N), 3:8 (O), 4:9 (F) - self.bond_decoders = self.decoder_load("bond") # Bond type decoders for first GAN. - # eg. 0: (no-bond), 1: (single), 2: (double), 3: (triple), 4: (aromatic) - self.m_dim = len(self.atom_decoders) if not self.features else int(self.loader.dataset[0].x.shape[1]) # Atom type dimension. - self.b_dim = len(self.bond_decoders) # Bond type dimension. - self.vertexes = int(self.loader.dataset[0].x.shape[0]) # Number of nodes in the graph. - self.drugs_atom_decoders = self.drug_decoder_load("atom") # Atom type decoders for second GAN. - # eg. 0:0, 1:6 (C), 2:7 (N), 3:8 (O), 4:9 (F) - self.drugs_bond_decoders = self.drug_decoder_load("bond") # Bond type decoders for second GAN. - # eg. 0: (no-bond), 1: (single), 2: (double), 3: (triple), 4: (aromatic) - self.drugs_m_dim = len(self.drugs_atom_decoders) if not self.features else int(self.drugs_loader.dataset[0].x.shape[1]) # Atom type dimension. - self.drugs_b_dim = len(self.drugs_bond_decoders) # Bond type dimension. - self.drug_vertexes = int(self.drugs_loader.dataset[0].x.shape[0]) # Number of nodes in the graph. - - # Transformer and Convolution configurations. - self.act = config.act - self.z_dim = config.z_dim - self.lambda_gp = config.lambda_gp - self.dim = config.dim - self.depth = config.depth - self.heads = config.heads - self.mlp_ratio = config.mlp_ratio - self.dec_depth = config.dec_depth - self.dec_heads = config.dec_heads - self.dec_dim = config.dec_dim - self.dis_select = config.dis_select - - # Training configurations. - self.epoch = config.epoch - self.g_lr = config.g_lr - self.d_lr = config.d_lr - self.g2_lr = config.g2_lr - self.d2_lr = config.d2_lr - self.dropout = config.dropout - self.dec_dropout = config.dec_dropout - self.n_critic = config.n_critic - self.beta1 = config.beta1 - self.beta2 = config.beta2 - self.resume_iters = config.resume_iters - self.warm_up_steps = config.warm_up_steps - - # Test configurations. - self.num_test_epoch = config.num_test_epoch - self.test_iters = config.test_iters - self.inference_sample_num = config.inference_sample_num - - # Directories. - self.log_dir = config.log_dir - self.sample_dir = config.sample_dir - self.model_save_dir = config.model_save_dir - self.result_dir = config.result_dir - - # Step size. - self.log_step = config.log_sample_step - self.clipping_value = config.clipping_value - - # resume training - self.resume = config.resume - self.resume_epoch = config.resume_epoch - self.resume_iter = config.resume_iter - self.resume_directory = config.resume_directory - - - self.mode = config.mode - - self.noise_strength_0 = torch.nn.Parameter(torch.zeros([])) - self.noise_strength_1 = torch.nn.Parameter(torch.zeros([])) - self.noise_strength_2 = torch.nn.Parameter(torch.zeros([])) - self.noise_strength_3 = torch.nn.Parameter(torch.zeros([])) - - self.init_type = config.init_type - self.build_model() - - - def build_model(self): - """Create generators and discriminators.""" - - ''' Generator is based on Transformer Encoder: - - @ g_conv_dim: Dimensions for first MLP layers before Transformer Encoder - @ vertexes: maximum length of generated molecules (atom length) - @ b_dim: number of bond types - @ m_dim: number of atom types (or number of features used) - @ dropout: dropout possibility - @ dim: Hidden dimension of Transformer Encoder - @ depth: Transformer layer number - @ heads: Number of multihead-attention heads - @ mlp_ratio: Read-out layer dimension of Transformer - @ drop_rate: depricated - @ tra_conv: Whether module creates output for TransformerConv discriminator - ''' - - self.G = Generator(self.z_dim, - self.act, - self.vertexes, - self.b_dim, - self.m_dim, - self.dropout, - dim=self.dim, - depth=self.depth, - heads=self.heads, - mlp_ratio=self.mlp_ratio, - submodel = self.submodel) - - self.G2 = Generator2(self.dim, - self.dec_dim, - self.dec_depth, - self.dec_heads, - self.mlp_ratio, - self.dec_dropout, - self.drugs_m_dim, - self.drugs_b_dim, - self.submodel) - - ''' Discriminator implementation with MLP: - - @ act: Activation function for MLP - @ m_dim: number of atom types (or number of features used) - @ b_dim: number of bond types - @ dropout: dropout possibility - @ vertexes: maximum length of generated molecules (molecule length) - ''' - - self.D2 = simple_disc("tanh", self.drugs_m_dim, self.drug_vertexes, self.drugs_b_dim) - self.D = simple_disc("tanh", self.m_dim, self.vertexes, self.b_dim) - - self.g_optimizer = torch.optim.AdamW(self.G.parameters(), self.g_lr, [self.beta1, self.beta2]) - self.g2_optimizer = torch.optim.AdamW(self.G2.parameters(), self.g2_lr, [self.beta1, self.beta2]) - - self.d_optimizer = torch.optim.AdamW(self.D.parameters(), self.d_lr, [self.beta1, self.beta2]) - self.d2_optimizer = torch.optim.AdamW(self.D2.parameters(), self.d2_lr, [self.beta1, self.beta2]) - - - self.print_network(self.G, 'G') - self.print_network(self.D, 'D') - - self.print_network(self.G2, 'G2') - self.print_network(self.D2, 'D2') - - self.G.to(self.device) - self.D.to(self.device) - - self.G2.to(self.device) - self.D2.to(self.device) - - - def decoder_load(self, dictionary_name): - ''' Loading the atom and bond decoders''' - with open("DrugGEN/data/decoders/" + dictionary_name + "_" + self.dataset_name + '.pkl', 'rb') as f: - return pickle.load(f) - - - def drug_decoder_load(self, dictionary_name): - ''' Loading the atom and bond decoders''' - with open("DrugGEN/data/decoders/" + dictionary_name +"_" + self.drugs_name +'.pkl', 'rb') as f: - return pickle.load(f) - - - def print_network(self, model, name): - """Print out the network information.""" - num_params = 0 - for p in model.parameters(): - num_params += p.numel() - print(model) - print(name) - print("The number of parameters: {}".format(num_params)) - - - def restore_model(self, epoch, iteration, model_directory): - """Restore the trained generator and discriminator.""" - print('Loading the trained models from epoch / iteration {}-{}...'.format(epoch, iteration)) - - G_path = os.path.join(model_directory, '{}-{}-G.ckpt'.format(epoch, iteration)) - D_path = os.path.join(model_directory, '{}-{}-D.ckpt'.format(epoch, iteration)) - self.G.load_state_dict(torch.load(G_path, map_location=lambda storage, loc: storage)) - self.D.load_state_dict(torch.load(D_path, map_location=lambda storage, loc: storage)) - - G2_path = os.path.join(model_directory, '{}-{}-G2.ckpt'.format(epoch, iteration)) - D2_path = os.path.join(model_directory, '{}-{}-D2.ckpt'.format(epoch, iteration)) - self.G2.load_state_dict(torch.load(G2_path, map_location=lambda storage, loc: storage)) - self.D2.load_state_dict(torch.load(D2_path, map_location=lambda storage, loc: storage)) - - - def save_model(self, model_directory, idx,i): - G_path = os.path.join(model_directory, '{}-{}-G.ckpt'.format(idx+1,i+1)) - D_path = os.path.join(model_directory, '{}-{}-D.ckpt'.format(idx+1,i+1)) - torch.save(self.G.state_dict(), G_path) - torch.save(self.D.state_dict(), D_path) - - if self.submodel != "NoTarget" and self.submodel != "CrossLoss": - G2_path = os.path.join(model_directory, '{}-{}-G2.ckpt'.format(idx+1,i+1)) - D2_path = os.path.join(model_directory, '{}-{}-D2.ckpt'.format(idx+1,i+1)) - torch.save(self.G2.state_dict(), G2_path) - torch.save(self.D2.state_dict(), D2_path) - - - def reset_grad(self): - """Reset the gradient buffers.""" - self.g_optimizer.zero_grad() - self.g2_optimizer.zero_grad() - - self.d_optimizer.zero_grad() - self.d2_optimizer.zero_grad() - - - def gradient_penalty(self, y, x): - """Compute gradient penalty: (L2_norm(dy/dx) - 1)**2.""" - weight = torch.ones(y.size(),requires_grad=False).to(self.device) - dydx = torch.autograd.grad(outputs=y, - inputs=x, - grad_outputs=weight, - retain_graph=True, - create_graph=True, - only_inputs=True)[0] - dydx = dydx.view(dydx.size(0), -1) - gradient_penalty = ((dydx.norm(2, dim=1) - 1) ** 2).mean() - return gradient_penalty - - - def train(self): - ''' Training Script starts from here''' - self.arguments = "{}_glr{}_dlr{}_g2lr{}_d2lr{}_dim{}_depth{}_heads{}_decdepth{}_decheads{}_ncritic{}_batch{}_epoch{}_warmup{}_dataset{}_dropout{}".format(self.submodel,self.g_lr,self.d_lr,self.g2_lr,self.d2_lr,self.dim,self.depth,self.heads,self.dec_depth,self.dec_heads,self.n_critic,self.batch_size,self.epoch,self.warm_up_steps,self.dataset_name,self.dropout) - - self.model_directory= os.path.join(self.model_save_dir,self.arguments) - self.sample_directory=os.path.join(self.sample_dir,self.arguments) - self.log_path = os.path.join(self.log_dir, "{}.txt".format(self.arguments)) - if not os.path.exists(self.model_directory): - os.makedirs(self.model_directory) - if not os.path.exists(self.sample_directory): - os.makedirs(self.sample_directory) - - # molecular data - full_smiles = [line for line in open("DrugGEN/data/chembl_train.smi", 'r').read().splitlines()] - drug_smiles = [line for line in open("DrugGEN/data/akt_train.smi", 'r').read().splitlines()] - - # protein data - protein_embeddings = torch.load("DrugGEN/data/akt1_t5.pth") - protein_embeddings = protein_embeddings.to(self.device) - - if self.resume: - self.restore_model(self.resume_epoch, self.resume_iter, self.resume_directory) - - # Start training. - print('Start training...') - self.start_time = time.time() - for idx in range(self.epoch): - - # =================================================================================== # - # 1. Preprocess input data # - # =================================================================================== # - # Load the data - dataloader_iterator = iter(self.drugs_loader) - - for i, data in enumerate(self.loader): - try: - drugs = next(dataloader_iterator) - except StopIteration: - dataloader_iterator = iter(self.drugs_loader) - drugs = next(dataloader_iterator) - - # Preprocess both dataset - bulk_data = load_data(data, - drugs, - self.batch_size, - self.device, - self.b_dim, - self.m_dim, - self.drugs_b_dim, - self.drugs_m_dim, - self.z_dim, - self.vertexes) - drug_graphs, real_graphs, a_tensor, x_tensor, drugs_a_tensor, drugs_x_tensor, z, z_edge, z_node = bulk_data - - # Training configuration. - if self.submodel == "CrossLoss": - GAN1_input_e = a_tensor - GAN1_input_x = x_tensor - elif self.submodel == "Prot": - GAN1_input_e = a_tensor - GAN1_input_x = x_tensor - GAN2_input_x = protein_embeddings - elif self.submodel == "NoTarget": - GAN1_input_e = a_tensor - GAN1_input_x = x_tensor - - # =================================================================================== # - # 2. Train the discriminator # - # =================================================================================== # - loss = {} - self.reset_grad() - - # Compute discriminators losses. - node, edge, d_loss = discriminator_loss(self.G, - self.D, - real_graphs, - self.batch_size, - self.device, - self.gradient_penalty, - self.lambda_gp, - GAN1_input_e, - GAN1_input_x) - d_total = d_loss - - if self.submodel != "NoTarget" and self.submodel != "CrossLoss": - d2_loss = discriminator2_loss(self.G2, - self.D2, - drug_graphs, - edge, - node, - self.batch_size, - self.device, - self.gradient_penalty, - self.lambda_gp, - GAN2_input_x) - d_total = d_loss + d2_loss - - loss["d_total"] = d_total.item() - d_total.backward() - self.d_optimizer.step() - if self.submodel != "NoTarget" and self.submodel != "CrossLoss": - self.d2_optimizer.step() - - self.reset_grad() - - # Compute generators losses. - generator_output = generator_loss(self.G, - self.D, - GAN1_input_e, - GAN1_input_x, - self.batch_size, - self.dataset.matrices2mol, - self.dataset_name) - g_loss, fake_mol, g_edges_hat_sample, g_nodes_hat_sample, node, edge = generator_output - g_total = g_loss - - if self.submodel != "NoTarget" and self.submodel != "CrossLoss": - output = generator2_loss(self.G2, - self.D2, - edge, - node, - self.batch_size, - self.dataset.matrices2mol_drugs, - GAN2_input_x, - self.drugs_name) - g2_loss, fake_mol_g, dr_g_edges_hat_sample, dr_g_nodes_hat_sample = output - g_total = g_loss + g2_loss - - loss["g_total"] = g_total.item() - g_total.backward() - self.g_optimizer.step() - if self.submodel != "NoTarget" and self.submodel != "CrossLoss": - self.g2_optimizer.step() - - # Logging. - if (i+1) % self.log_step == 0: - if self.submodel == "CrossLoss": - logging(self.log_path, self.start_time, fake_mol, drug_smiles, i, idx, loss, 1, self.sample_directory) - else: - logging(self.log_path, self.start_time, fake_mol, full_smiles, i, idx, loss, 1, self.sample_directory) - - mol_sample(self.sample_directory,"GAN1",fake_mol, g_edges_hat_sample.detach(), g_nodes_hat_sample.detach(), idx, i) - - if self.submodel == "Prot": - logging(self.log_path, self.start_time, fake_mol_g, drug_smiles, i, idx, loss, 2, self.sample_directory) - mol_sample(self.sample_directory,"GAN2",fake_mol_g, dr_g_edges_hat_sample.detach(), dr_g_nodes_hat_sample.detach(), idx, i) - - # Save model checkpoints. - if (idx+1) % 10 == 0: - self.save_model(self.model_directory,idx,i) - print("model saved at epoch {} and iteration {}".format(idx,i)) - - - def inference(self): - # Load the trained generator. - self.G.to(self.device) - self.G2.to(self.device) - - G_path = os.path.join(self.inference_model, '{}-G.ckpt'.format(self.submodel)) - self.G.load_state_dict(torch.load(G_path, map_location=lambda storage, loc: storage)) - if self.submodel != "NoTarget" and self.submodel != "CrossLoss": - G2_path = os.path.join(self.inference_model, '{}-G2.ckpt'.format(self.submodel)) - self.G2.load_state_dict(torch.load(G2_path, map_location=lambda storage, loc: storage)) - - - if self.submodel == "NoTarget": - drug_smiles = [line for line in open("DrugGEN/data/chembl_train.smi", 'r').read().splitlines()] - else: - drug_smiles = [line for line in open("DrugGEN/data/akt_train.smi", 'r').read().splitlines()] - - drug_mols = [Chem.MolFromSmiles(smi) for smi in drug_smiles] - drug_scaf = [MurckoScaffold.GetScaffoldForMol(x) for x in drug_mols] - fps_r = [Chem.RDKFingerprint(x) for x in drug_scaf] - - akt1_human_adj = torch.load("DrugGEN/data/akt/AKT1_human_adj.pt").reshape(1,-1).to(self.device).float() - akt1_human_annot = torch.load("DrugGEN/data/akt/AKT1_human_annot.pt").reshape(1,-1).to(self.device).float() - - self.G.eval() - #self.D.eval() - self.G2.eval() - #self.D2.eval() - - step = self.inference_iterations - - self.inf_dataset = DruggenDataset(self.mol_data_dir, - self.inf_dataset_file, - self.inf_raw_file, - self.max_atom, - self.features) # Dataset for the first GAN. Custom dataset class from PyG parent class. - # Can create any molecular graph dataset given smiles string. - # Nonisomeric SMILES are suggested but not necessary. - # Uses sparse matrix representation for graphs, - # For computational and speed efficiency. - - self.inf_loader = DataLoader(self.inf_dataset, - shuffle=True, - batch_size=self.inf_batch_size, - drop_last=True) # PyG dataloader for the first GAN. - - self.inf_drugs = DruggenDataset(self.drug_data_dir, - self.inf_drugs_dataset_file, - self.inf_drug_raw_file, - self.max_atom, - self.features) # Dataset for the second GAN. Custom dataset class from PyG parent class. - # Can create any molecular graph dataset given smiles string. - # Nonisomeric SMILES are suggested but not necessary. - # Uses sparse matrix representation for graphs, - # For computational and speed efficiency. - - self.inf_drugs_loader = DataLoader(self.inf_drugs, - shuffle=True, - batch_size=self.inf_batch_size, - drop_last=True) # PyG dataloader for the second GAN. - start_time = time.time() - #metric_calc_mol = [] - metric_calc_dr = [] - date = time.time() - if not os.path.exists("DrugGEN/experiments/inference/{}".format(self.submodel)): - os.makedirs("DrugGEN/experiments/inference/{}".format(self.submodel)) - with torch.inference_mode(): - - dataloader_iterator = iter(self.inf_drugs_loader) - pbar = tqdm(range(self.inference_sample_num)) - pbar.set_description('Inference mode for {} model started'.format(self.submodel)) - for i, data in enumerate(self.inf_loader): - try: - drugs = next(dataloader_iterator) - except StopIteration: - dataloader_iterator = iter(self.inf_drugs_loader) - drugs = next(dataloader_iterator) - - # Preprocess both dataset - - bulk_data = load_data(data, - drugs, - self.inf_batch_size, - self.device, - self.b_dim, - self.m_dim, - self.drugs_b_dim, - self.drugs_m_dim, - self.z_dim, - self.vertexes) - - drug_graphs, real_graphs, a_tensor, x_tensor, drugs_a_tensor, drugs_x_tensor, z, z_edge, z_node = bulk_data - - if self.submodel == "CrossLoss": - GAN1_input_e = a_tensor - GAN1_input_x = x_tensor - elif self.submodel == "Ligand": - GAN1_input_e = a_tensor - GAN1_input_x = x_tensor - GAN2_input_e = drugs_a_tensor - GAN2_input_x = drugs_x_tensor - elif self.submodel == "Prot": - GAN1_input_e = a_tensor - GAN1_input_x = x_tensor - GAN2_input_e = akt1_human_adj - GAN2_input_x = akt1_human_annot - elif self.submodel == "RL": - GAN1_input_e = a_tensor - GAN1_input_x = x_tensor - GAN2_input_e = drugs_a_tensor - GAN2_input_x = drugs_x_tensor - elif self.submodel == "NoTarget": - GAN1_input_e = a_tensor - GAN1_input_x = x_tensor - # =================================================================================== # - # 2. GAN1 Inference # - # =================================================================================== # - generator_output = generator_loss(self.G, - self.D, - GAN1_input_e, - GAN1_input_x, - self.inf_batch_size, - sim_reward, - self.dataset.matrices2mol, - fps_r, - self.submodel, - self.dataset_name) - - _, fake_mol_g, _, _, node, edge = generator_output - - # =================================================================================== # - # 3. GAN2 Inference # - # =================================================================================== # - - if self.submodel != "NoTarget" and self.submodel != "CrossLoss": - output = generator2_loss(self.G2, - self.D2, - edge, - node, - self.inf_batch_size, - sim_reward, - self.dataset.matrices2mol_drugs, - GAN2_input_e, - GAN2_input_x, - self.drugs_name) - - _, fake_mol_g, edges, nodes = output - - inference_drugs = [Chem.MolToSmiles(line) for line in fake_mol_g if line is not None] - inference_drugs = [None if x is None else max(x.split('.'), key=len) for x in inference_drugs] - - with open("DrugGEN/experiments/inference/{}/inference_drugs.txt".format(self.submodel), "a") as f: - for molecules in inference_drugs: - - f.write(molecules) - f.write("\n") - metric_calc_dr.append(molecules) - - if len(inference_drugs) > 0: - pbar.update(1) - - if len(metric_calc_dr) == self.inference_sample_num: - break - - et = time.time() - start_time - - print("Inference mode is lasted for {:.2f} seconds".format(et)) - - print("Metrics calculation started using MOSES.") - - print("Validity: ", fraction_valid(metric_calc_dr), "\n") - print("Uniqueness: ", fraction_unique(metric_calc_dr), "\n") - print("Novelty: ", novelty(metric_calc_dr, drug_smiles), "\n") - - print("Metrics are calculated.") diff --git a/training_data.py b/training_data.py index 8057b84..68834d7 100644 --- a/training_data.py +++ b/training_data.py @@ -1,50 +1,31 @@ import torch import torch_geometric.utils as geoutils -from utils import * +from utils import label2onehot -def load_data(data, drugs, batch_size, device, b_dim, m_dim, drugs_b_dim, drugs_m_dim,z_dim,vertexes): +def generate_z_values(batch_size=32, z_dim=32, vertexes=32, b_dim=32, m_dim=32, device=None): + z = torch.normal(mean=0, std=1, size=(batch_size, z_dim), device=device) # (batch,max_len) + z_edge = torch.normal(mean=0, std=1, size=(batch_size, vertexes, vertexes, b_dim), device=device) # (batch,max_len,max_len) + z_node = torch.normal(mean=0, std=1, size=(batch_size, vertexes, m_dim), device=device) # (batch,max_len) - z = sample_z(batch_size, z_dim) # (batch,max_len) + z = z.float().requires_grad_(True) + z_edge = z_edge.float().requires_grad_(True) # Edge noise.(batch,max_len,max_len) + z_node = z_node.float().requires_grad_(True) # Node noise.(batch,max_len) + return z, z_edge, z_node - z = torch.from_numpy(z).to(device).float().requires_grad_(True) - data = data.to(device) - drugs = drugs.to(device) - z_e = sample_z_edge(batch_size,vertexes,b_dim) # (batch,max_len,max_len) - z_n = sample_z_node(batch_size,vertexes,m_dim) # (batch,max_len) - z_edge = torch.from_numpy(z_e).to(device).float().requires_grad_(True) # Edge noise.(batch,max_len,max_len) - z_node = torch.from_numpy(z_n).to(device).float().requires_grad_(True) # Node noise.(batch,max_len) - a = geoutils.to_dense_adj(edge_index = data.edge_index,batch=data.batch,edge_attr=data.edge_attr, max_num_nodes=int(data.batch.shape[0]/batch_size)) - x = data.x.view(batch_size,int(data.batch.shape[0]/batch_size),-1) +def load_molecules(data=None, b_dim=32, m_dim=32, device=None, batch_size=32): + data = data.to(device) + a = geoutils.to_dense_adj( + edge_index = data.edge_index, + batch=data.batch, + edge_attr=data.edge_attr, + max_num_nodes=int(data.batch.shape[0]/batch_size) + ) + x_tensor = data.x.view(batch_size,int(data.batch.shape[0]/batch_size),-1) a_tensor = label2onehot(a, b_dim, device) - #x_tensor = label2onehot(x, m_dim) - x_tensor = x - - a_tensor = a_tensor #+ torch.randn([a_tensor.size(0), a_tensor.size(1), a_tensor.size(2),1], device=a_tensor.device) * noise_strength_0 - x_tensor = x_tensor #+ torch.randn([x_tensor.size(0), x_tensor.size(1),1], device=x_tensor.device) * noise_strength_1 - - drugs_a = geoutils.to_dense_adj(edge_index = drugs.edge_index,batch=drugs.batch,edge_attr=drugs.edge_attr, max_num_nodes=int(drugs.batch.shape[0]/batch_size)) - - drugs_x = drugs.x.view(batch_size,int(drugs.batch.shape[0]/batch_size),-1) - - drugs_a = drugs_a.to(device).long() - drugs_x = drugs_x.to(device) - drugs_a_tensor = label2onehot(drugs_a, drugs_b_dim,device).float() - drugs_x_tensor = drugs_x - - drugs_a_tensor = drugs_a_tensor #+ torch.randn([drugs_a_tensor.size(0), drugs_a_tensor.size(1), drugs_a_tensor.size(2),1], device=drugs_a_tensor.device) * noise_strength_2 - drugs_x_tensor = drugs_x_tensor #+ torch.randn([drugs_x_tensor.size(0), drugs_x_tensor.size(1),1], device=drugs_x_tensor.device) * noise_strength_3 - #prot_n = akt1_human_annot[None,:].to(device).float() - #prot_e = akt1_human_adj[None,None,:].view(1,546,546,1).to(device).float() - - a_tensor_vec = a_tensor.reshape(batch_size,-1) - x_tensor_vec = x_tensor.reshape(batch_size,-1) - real_graphs = torch.concat((x_tensor_vec,a_tensor_vec),dim=-1) + x_tensor_vec = x_tensor.reshape(batch_size,-1) + real_graphs = torch.concat((x_tensor_vec,a_tensor_vec),dim=-1) - a_drug_vec = drugs_a_tensor.reshape(batch_size,-1) - x_drug_vec = drugs_x_tensor.reshape(batch_size,-1) - drug_graphs = torch.concat((x_drug_vec,a_drug_vec),dim=-1) - - return drug_graphs, real_graphs, a_tensor, x_tensor, drugs_a_tensor, drugs_x_tensor, z, z_edge, z_node \ No newline at end of file + return real_graphs, a_tensor, x_tensor \ No newline at end of file diff --git a/utils.py b/utils.py index e690d0c..12c442f 100644 --- a/utils.py +++ b/utils.py @@ -1,23 +1,33 @@ from statistics import mean +import os +import math +import time +import datetime from rdkit import DataStructs from rdkit import Chem +from rdkit import RDLogger from rdkit.Chem import AllChem from rdkit.Chem import Draw -import os +from rdkit.Chem.Scaffolds import MurckoScaffold import numpy as np -#import seaborn as sns import matplotlib.pyplot as plt from matplotlib.lines import Line2D -from rdkit import RDLogger import torch -from rdkit.Chem.Scaffolds import MurckoScaffold -import math -import time -import datetime -import re -RDLogger.DisableLog('rdApp.*') +import wandb +RDLogger.DisableLog('rdApp.*') import warnings from multiprocessing import Pool +from rdkit.Chem import Descriptors, Lipinski, Crippen +from copy import deepcopy +from rdkit.Chem import rdMolDescriptors +from rdkit.Chem import FilterCatalog +from rdkit.Chem import AllChem +from collections import Counter +from functools import partial +from multiprocessing import Pool +from rdkit.Chem.Scaffolds import MurckoScaffold +from scipy.spatial.distance import cosine as cos_distance + class Metrics(object): @staticmethod @@ -37,14 +47,32 @@ def tanimoto_sim_1v2(data1, data2): @staticmethod def mol_length(x): if x is not None: - return len([char for char in max(Chem.MolToSmiles(x).split(sep =".")).upper() if char.isalpha()]) + return len([char for char in max(x.split(sep =".")).upper() if char.isalpha()]) else: return 0 @staticmethod def max_component(data, max_len): + + # There will be a name change for this function to better reflect what it does + + """Returns the average length of the molecules in the dataset normalized by the maximum length. + + Returns: + array: normalized average length of the molecules in the dataset + """ + + return ((np.array(list(map(Metrics.mol_length, data)), dtype=np.float32)/max_len).mean()) + + @staticmethod + def mean_atom_type(data): + atom_types_used = [] + for i in data: + + atom_types_used.append(len(i.unique().tolist())) + av_type = np.mean(atom_types_used) - 1 - return (np.array(list(map(Metrics.mol_length, data)), dtype=np.float32)/max_len).mean() + return av_type def sim_reward(mol_gen, fps_r): @@ -69,7 +97,7 @@ def sim_reward(mol_gen, fps_r): fps = np.array(fps) fps_r = np.array(fps_r) - rew = average_agg_tanimoto(fps_r,fps)[0] + rew = average_agg_tanimoto(fps_r,fps) if math.isnan(rew): rew = 1 @@ -84,19 +112,17 @@ def mols2grid_image(mols,path): for i in range(len(mols)): if Metrics.valid(mols[i]): - #if Chem.MolToSmiles(mols[i]) != '': AllChem.Compute2DCoords(mols[i]) - Draw.MolToFile(mols[i], os.path.join(path,"{}.png".format(i+1)), size=(1200,1200)) + Draw.MolToFile(mols[i], os.path.join(path,"{}.png".format(i+1)), size=(1200,1200)) + #wandb.save(os.path.join(path,"{}.png".format(i+1))) else: continue -def save_smiles_matrices(mols,edges_hard, nodes_hard,path,data_source = None): +def save_smiles_matrices(mols,edges_hard, nodes_hard, path, data_source = None): mols = [e if e is not None else Chem.RWMol() for e in mols] for i in range(len(mols)): if Metrics.valid(mols[i]): - #m0= all_scores_for_print(mols[i], data_source, norm=False) - #if Chem.MolToSmiles(mols[i]) != '': save_path = os.path.join(path,"{}.txt".format(i+1)) with open(save_path, "a") as f: np.savetxt(f, edges_hard[i].cpu().numpy(), header="edge matrix:\n",fmt='%1.2f') @@ -105,18 +131,18 @@ def save_smiles_matrices(mols,edges_hard, nodes_hard,path,data_source = None): f.write("\n") #f.write(m0) f.write("\n") - - print(Chem.MolToSmiles(mols[i]), file=open(save_path,"a")) + #wandb.save(save_path) else: continue + ########################################## ########################################## ########################################## - + + def dense_to_sparse_with_attr(adj): - ### assert adj.dim() >= 2 and adj.dim() <= 3 assert adj.size(-1) == adj.size(-2) @@ -131,141 +157,114 @@ def dense_to_sparse_with_attr(adj): def label2onehot(labels, dim, device): - """Convert label indices to one-hot vectors.""" - out = torch.zeros(list(labels.size())+[dim]).to(device) out.scatter_(len(out.size())-1,labels.unsqueeze(-1),1.) - - return out.float() - -def sample_z_node(batch_size, vertexes, nodes): - - ''' Random noise for nodes logits. ''' - - return np.random.normal(0,1, size=(batch_size,vertexes, nodes)) # 128, 9, 5 - - -def sample_z_edge(batch_size, vertexes, edges): - - ''' Random noise for edges logits. ''' - - return np.random.normal(0,1, size=(batch_size, vertexes, vertexes, edges)) # 128, 9, 9, 5 + return out.float() -def sample_z( batch_size, z_dim): - - ''' Random noise. ''' - - return np.random.normal(0,1, size=(batch_size,z_dim)) # 128, 9, 5 +def mol_sample(sample_directory, edges, nodes, idx, i,matrices2mol, dataset_name): + sample_path = os.path.join(sample_directory,"{}_{}-epoch_iteration".format(idx+1, i+1)) + g_edges_hat_sample = torch.max(edges, -1)[1] + g_nodes_hat_sample = torch.max(nodes , -1)[1] + mol = [matrices2mol(n_.data.cpu().numpy(), e_.data.cpu().numpy(), strict=True, file_name=dataset_name) + for e_, n_ in zip(g_edges_hat_sample, g_nodes_hat_sample)] - -def mol_sample(sample_directory, model_name, mol, edges, nodes, idx, i): - sample_path = os.path.join(sample_directory,"{}-{}_{}-epoch_iteration".format(model_name,idx+1, i+1)) - if not os.path.exists(sample_path): os.makedirs(sample_path) - + mols2grid_image(mol,sample_path) - - save_smiles_matrices(mol,edges.detach(), nodes.detach(), sample_path) - + save_smiles_matrices(mol,g_edges_hat_sample.detach(), g_nodes_hat_sample.detach(), sample_path) + if len(os.listdir(sample_path)) == 0: os.rmdir(sample_path) - + print("Valid molecules are saved.") print("Valid matrices and smiles are saved") -def logging(log_path, start_time, mols, train_smiles, i,idx, loss,model_num, save_path, get_maxlen=False): - - gen_smiles = [] +def logging(log_path, start_time, i, idx, loss, save_path, drug_smiles, edge, node, + matrices2mol, dataset_name, real_adj, real_annot, drug_vecs): + + g_edges_hat_sample = torch.max(edge, -1)[1] + g_nodes_hat_sample = torch.max(node , -1)[1] + + a_tensor_sample = torch.max(real_adj, -1)[1].float() + x_tensor_sample = torch.max(real_annot, -1)[1].float() + + mols = [matrices2mol(n_.data.cpu().numpy(), e_.data.cpu().numpy(), strict=True, file_name=dataset_name) + for e_, n_ in zip(g_edges_hat_sample, g_nodes_hat_sample)] + + real_mol = [matrices2mol(n_.data.cpu().numpy(), e_.data.cpu().numpy(), strict=True, file_name=dataset_name) + for e_, n_ in zip(a_tensor_sample, x_tensor_sample)] + + atom_types_average = Metrics.mean_atom_type(g_nodes_hat_sample) + real_smiles = [Chem.MolToSmiles(x) for x in real_mol if x is not None] + gen_smiles = [] + uniq_smiles = [] for line in mols: if line is not None: gen_smiles.append(Chem.MolToSmiles(line)) + uniq_smiles.append(Chem.MolToSmiles(line)) elif line is None: gen_smiles.append(None) - #gen_smiles_saves = [None if x is None else re.sub('\*', '', x) for x in gen_smiles] - #gen_smiles_saves = [None if x is None else re.sub('\.', '', x) for x in gen_smiles_saves] gen_smiles_saves = [None if x is None else max(x.split('.'), key=len) for x in gen_smiles] + uniq_smiles_saves = [None if x is None else max(x.split('.'), key=len) for x in uniq_smiles] - sample_save_dir = os.path.join(save_path, "samples-GAN{}.txt".format(model_num)) + sample_save_dir = os.path.join(save_path, "samples.txt") with open(sample_save_dir, "a") as f: for idxs in range(len(gen_smiles_saves)): if gen_smiles_saves[idxs] is not None: - f.write(gen_smiles_saves[idxs]) f.write("\n") - k = len(set(gen_smiles_saves) - {None}) - - + k = len(set(uniq_smiles_saves) - {None}) et = time.time() - start_time et = str(datetime.timedelta(seconds=et))[:-7] - log = "Elapsed [{}], Epoch/Iteration [{}/{}] for GAN{}".format(et, idx, i+1, model_num) - + log = "Elapsed [{}], Epoch/Iteration [{}/{}]".format(et, idx, i+1) + gen_vecs = [AllChem.GetMorganFingerprintAsBitVect(x, 2, nBits=1024) for x in mols if x is not None] + chembl_vecs = [AllChem.GetMorganFingerprintAsBitVect(x, 2, nBits=1024) for x in real_mol if x is not None] + # Log update #m0 = get_all_metrics(gen = gen_smiles, train = train_smiles, batch_size=batch_size, k = valid_mol_num, device=self.device) valid = fraction_valid(gen_smiles_saves) - unique = fraction_unique(gen_smiles_saves, k, check_validity=False) - novel = novelty(gen_smiles_saves, train_smiles) - - #qed = [QED(mol) for mol in mols if mol is not None] - #sa = [SA(mol) for mol in mols if mol is not None] - #logp = [logP(mol) for mol in mols if mol is not None] - - #IntDiv = internal_diversity(gen_smiles) - #m0= all_scores_val(fake_mol, mols, full_mols, full_smiles, vert, norm=True) # 'mols' is output of Fake Reward - #m1 =all_scores_chem(fake_mol, mols, vert, norm=True) - #m0.update(m1) - - if get_maxlen: - maxlen = Metrics.max_component(mols, 45) - loss.update({"MaxLen": maxlen}) - - #m0 = {k: np.array(v).mean() for k, v in m0.items()} - #loss.update(m0) - loss.update({'Valid': valid}) - loss.update({'Unique': unique}) - loss.update({'Novel': novel}) - #loss.update({'QED': statistics.mean(qed)}) - #loss.update({'SA': statistics.mean(sa)}) - #loss.update({'LogP': statistics.mean(logp)}) - #loss.update({'IntDiv': IntDiv}) - + unique = fraction_unique(uniq_smiles_saves, k, check_validity=False) + novel_starting_mol = novelty(gen_smiles_saves, real_smiles) + novel_akt = novelty(gen_smiles_saves, drug_smiles) + if (len(uniq_smiles_saves) == 0): + snn_chembl = 0 + snn_akt = 0 + maxlen = 0 + else: + snn_chembl = average_agg_tanimoto(np.array(chembl_vecs),np.array(gen_vecs)) + snn_akt = average_agg_tanimoto(np.array(drug_vecs),np.array(gen_vecs)) + maxlen = Metrics.max_component(uniq_smiles_saves, 45) + + loss.update({'Validity': valid}) + loss.update({'Uniqueness': unique}) + loss.update({'Novelty': novel_starting_mol}) + loss.update({'Novelty_akt': novel_akt}) + loss.update({'SNN_chembl': snn_chembl}) + loss.update({'SNN_akt': snn_akt}) + loss.update({'MaxLen': maxlen}) + loss.update({'Atom_types': atom_types_average}) + + wandb.log({"Validity": valid, "Uniqueness": unique, "Novelty": novel_starting_mol, + "Novelty_akt": novel_akt, "SNN_chembl": snn_chembl, "SNN_akt": snn_akt, + "MaxLen": maxlen, "Atom_types": atom_types_average}) + for tag, value in loss.items(): - log += ", {}: {:.4f}".format(tag, value) with open(log_path, "a") as f: - f.write(log) - f.write("\n") - print(log) - print("\n") - - -#def plot_attn(dataset_name, heads,attn_w, model, iter, epoch): -# -# cols = 4 -# rows = int(heads/cols) -# -# fig, axes = plt.subplots( rows,cols, figsize = (30, 14)) -# axes = axes.flat -# attentions_pos = attn_w[0] -# attentions_pos = attentions_pos.cpu().detach().numpy() -# for i,att in enumerate(attentions_pos): -# -# #im = axes[i].imshow(att, cmap='gray') -# sns.heatmap(att,vmin = 0, vmax = 1,ax = axes[i]) -# axes[i].set_title(f'head - {i} ') -# axes[i].set_ylabel('layers') -# pltsavedir = "/home/atabey/attn/second" -# plt.savefig(os.path.join(pltsavedir, "attn" + model + "_" + dataset_name + "_" + str(iter) + "_" + str(epoch) + ".png"), dpi= 500,bbox_inches='tight') - - -def plot_grad_flow(named_parameters, model, iter, epoch): - + f.write(log) + f.write("\n") + print(log) + print("\n") + + +def plot_grad_flow(named_parameters, model, itera, epoch,grad_flow_directory): # Based on https://discuss.pytorch.org/t/check-gradient-flow-in-network/15063/10 '''Plots the gradients flowing through different layers in the net during training. Can be used for checking for possible gradient vanishing / exploding problems. @@ -277,7 +276,7 @@ def plot_grad_flow(named_parameters, model, iter, epoch): layers = [] for n, p in named_parameters: if(p.requires_grad) and ("bias" not in n): - print(p.grad,n) + #print(p.grad,n) layers.append(n) ave_grads.append(p.grad.abs().mean().cpu()) max_grads.append(p.grad.abs().max().cpu()) @@ -294,9 +293,9 @@ def plot_grad_flow(named_parameters, model, iter, epoch): plt.legend([Line2D([0], [0], color="c", lw=4), Line2D([0], [0], color="b", lw=4), Line2D([0], [0], color="k", lw=4)], ['max-gradient', 'mean-gradient', 'zero-gradient']) - pltsavedir = "/home/atabey/gradients/tryout" - plt.savefig(os.path.join(pltsavedir, "weights_" + model + "_" + str(iter) + "_" + str(epoch) + ".png"), dpi= 500,bbox_inches='tight') - + pltsavedir = grad_flow_directory + plt.savefig(os.path.join(pltsavedir, "weights_" + model + "_" + str(itera) + "_" + str(epoch) + ".png"), dpi= 500,bbox_inches='tight') + def get_mol(smiles_or_mol): ''' @@ -362,15 +361,11 @@ def fraction_valid(gen, n_jobs=1): """ gen = mapper(n_jobs)(get_mol, gen) return 1 - gen.count(None) / len(gen) - - def canonic_smiles(smiles_or_mol): mol = get_mol(smiles_or_mol) if mol is None: return None return Chem.MolToSmiles(mol) - - def fraction_unique(gen, k=None, n_jobs=1, check_validity=True): """ Computes a number of unique molecules @@ -387,12 +382,13 @@ def fraction_unique(gen, k=None, n_jobs=1, check_validity=True): "gen contains only {} molecules".format(len(gen)) ) gen = gen[:k] - canonic = set(mapper(n_jobs)(canonic_smiles, gen)) - if None in canonic and check_validity: + if check_validity: + + canonic = list(mapper(n_jobs)(canonic_smiles, gen)) canonic = [i for i in canonic if i is not None] + set_cannonic = set(canonic) #raise ValueError("Invalid molecule passed to unique@k") - return 0 if len(gen) == 0 else len(canonic) / len(gen) - + return 0 if len(canonic) == 0 else len(set_cannonic) / len(canonic) def novelty(gen, train, n_jobs=1): gen_smiles = mapper(n_jobs)(canonic_smiles, gen) @@ -400,6 +396,8 @@ def novelty(gen, train, n_jobs=1): train_set = set(train) return 0 if len(gen_smiles_set) == 0 else len(gen_smiles_set - train_set) / len(gen_smiles_set) +def internal_diversity(gen): + return 1 - average_agg_tanimoto(gen, gen, agg="mean") def average_agg_tanimoto(stock_vecs, gen_vecs, batch_size=5000, agg='max', @@ -440,3 +438,187 @@ def average_agg_tanimoto(stock_vecs, gen_vecs, if p != 1: agg_tanimoto = (agg_tanimoto)**(1/p) return np.mean(agg_tanimoto) + +def str2bool(v): + return v.lower() in ('true') + + + + +def obey_lipinski(mol): + mol = deepcopy(mol) + Chem.SanitizeMol(mol) + rule_1 = Descriptors.ExactMolWt(mol) < 500 + rule_2 = Lipinski.NumHDonors(mol) <= 5 + rule_3 = Lipinski.NumHAcceptors(mol) <= 10 + rule_4 = (logp := Crippen.MolLogP(mol) >= -2) & (logp <= 5) + rule_5 = Chem.rdMolDescriptors.CalcNumRotatableBonds(mol) <= 10 + return np.sum([int(a) for a in [rule_1, rule_2, rule_3, rule_4, rule_5]]) + +def obey_veber(mol): + mol = deepcopy(mol) + Chem.SanitizeMol(mol) + # Veber's rule criteria + rule_1 = rdMolDescriptors.CalcNumRotatableBonds(mol) <= 10 + rule_2 = rdMolDescriptors.CalcTPSA(mol) <= 140 + return np.sum([int(a) for a in [rule_1, rule_2]]) + +def load_pains_filters(): + # Load PAINS A, B, and C filters + params = FilterCatalog.FilterCatalogParams() + params.AddCatalog(FilterCatalog.FilterCatalogParams.FilterCatalogs.PAINS_A) + params.AddCatalog(FilterCatalog.FilterCatalogParams.FilterCatalogs.PAINS_B) + params.AddCatalog(FilterCatalog.FilterCatalogParams.FilterCatalogs.PAINS_C) + + catalog = FilterCatalog.FilterCatalog(params) + return catalog + +def is_pains(mol, catalog): + # Check if the molecule is a PAINS compound + entry = catalog.GetFirstMatch(mol) + return entry is not None + +def mapper(n_jobs): + ''' + Returns function for map call. + If n_jobs == 1, will use standard map + If n_jobs > 1, will use multiprocessing pool + If n_jobs is a pool object, will return its map function + ''' + if n_jobs == 1: + def _mapper(*args, **kwargs): + return list(map(*args, **kwargs)) + + return _mapper + if isinstance(n_jobs, int): + pool = Pool(n_jobs) + + def _mapper(*args, **kwargs): + try: + result = pool.map(*args, **kwargs) + finally: + pool.terminate() + return result + + return _mapper + return n_jobs.map + +def fragmenter(mol): + """ + fragment mol using BRICS and return smiles list + """ + fgs = AllChem.FragmentOnBRICSBonds(get_mol(mol)) + fgs_smi = Chem.MolToSmiles(fgs).split(".") + return fgs_smi + +def get_mol(smiles_or_mol): + ''' + Loads SMILES/molecule into RDKit's object + ''' + if isinstance(smiles_or_mol, str): + if len(smiles_or_mol) == 0: + return None + mol = Chem.MolFromSmiles(smiles_or_mol) + if mol is None: + return None + try: + Chem.SanitizeMol(mol) + except ValueError: + return None + return mol + return smiles_or_mol + + +def compute_fragments(mol_list, n_jobs=1): + """ + fragment list of mols using BRICS and return smiles list + """ + fragments = Counter() + for mol_frag in mapper(n_jobs)(fragmenter, mol_list): + fragments.update(mol_frag) + return fragments + +def compute_scaffolds(mol_list, n_jobs=1, min_rings=2): + """ + Extracts a scafold from a molecule in a form of a canonic SMILES + """ + scaffolds = Counter() + map_ = mapper(n_jobs) + scaffolds = Counter( + map_(partial(compute_scaffold, min_rings=min_rings), mol_list)) + if None in scaffolds: + scaffolds.pop(None) + return scaffolds + +def get_n_rings(mol): + """ + Computes the number of rings in a molecule + """ + return mol.GetRingInfo().NumRings() + +def compute_scaffold(mol, min_rings=2): + mol = get_mol(mol) + try: + scaffold = MurckoScaffold.GetScaffoldForMol(mol) + except (ValueError, RuntimeError): + return None + n_rings = get_n_rings(scaffold) + scaffold_smiles = Chem.MolToSmiles(scaffold) + if scaffold_smiles == '' or n_rings < min_rings: + return None + return scaffold_smiles + +class Metric: + def __init__(self, n_jobs=1, device='cpu', batch_size=512, **kwargs): + self.n_jobs = n_jobs + self.device = device + self.batch_size = batch_size + for k, v in kwargs.values(): + setattr(self, k, v) + + def __call__(self, ref=None, gen=None, pref=None, pgen=None): + assert (ref is None) != (pref is None), "specify ref xor pref" + assert (gen is None) != (pgen is None), "specify gen xor pgen" + if pref is None: + pref = self.precalc(ref) + if pgen is None: + pgen = self.precalc(gen) + return self.metric(pref, pgen) + + def precalc(self, moleclues): + raise NotImplementedError + + def metric(self, pref, pgen): + raise NotImplementedError + +class FragMetric(Metric): + def precalc(self, mols): + return {'frag': compute_fragments(mols, n_jobs=self.n_jobs)} + + def metric(self, pref, pgen): + return cos_similarity(pref['frag'], pgen['frag']) + + +class ScafMetric(Metric): + def precalc(self, mols): + return {'scaf': compute_scaffolds(mols, n_jobs=self.n_jobs)} + + def metric(self, pref, pgen): + return cos_similarity(pref['scaf'], pgen['scaf']) + +def cos_similarity(ref_counts, gen_counts): + """ + Computes cosine similarity between + dictionaries of form {name: count}. Non-present + elements are considered zero: + + sim = / ||r|| / ||g|| + """ + if len(ref_counts) == 0 or len(gen_counts) == 0: + return np.nan + keys = np.unique(list(ref_counts.keys()) + list(gen_counts.keys())) + ref_vec = np.array([ref_counts.get(k, 0) for k in keys]) + gen_vec = np.array([gen_counts.get(k, 0) for k in keys]) + return 1 - cos_distance(ref_vec, gen_vec) + +