complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
1C5P-BEN | data/1C/1C5P-BEN/1C5P-BEN_ligand.pdbqt | data/1C/1C5P-BEN/1C5P-BEN_target.pdbqt | data/1C/1C5P-BEN/1C5P-BEN_decoys.pdbqt | data/1C/1C5P-BEN/1C5P-BEN_decoy_scores.csv |
1CZL-FMN | data/1C/1CZL-FMN/1CZL-FMN_ligand.pdbqt | data/1C/1CZL-FMN/1CZL-FMN_target.pdbqt | data/1C/1CZL-FMN/1CZL-FMN_decoys.pdbqt | data/1C/1CZL-FMN/1CZL-FMN_decoy_scores.csv |
1C3J-UDP | data/1C/1C3J-UDP/1C3J-UDP_ligand.pdbqt | data/1C/1C3J-UDP/1C3J-UDP_target.pdbqt | data/1C/1C3J-UDP/1C3J-UDP_decoys.pdbqt | data/1C/1C3J-UDP/1C3J-UDP_decoy_scores.csv |
1CKN-GTP | data/1C/1CKN-GTP/1CKN-GTP_ligand.pdbqt | data/1C/1CKN-GTP/1CKN-GTP_target.pdbqt | data/1C/1CKN-GTP/1CKN-GTP_decoys.pdbqt | data/1C/1CKN-GTP/1CKN-GTP_decoy_scores.csv |
1CD2-FOL | data/1C/1CD2-FOL/1CD2-FOL_ligand.pdbqt | data/1C/1CD2-FOL/1CD2-FOL_target.pdbqt | data/1C/1CD2-FOL/1CD2-FOL_decoys.pdbqt | data/1C/1CD2-FOL/1CD2-FOL_decoy_scores.csv |
1C5N-ESI | data/1C/1C5N-ESI/1C5N-ESI_ligand.pdbqt | data/1C/1C5N-ESI/1C5N-ESI_target.pdbqt | data/1C/1C5N-ESI/1C5N-ESI_decoys.pdbqt | data/1C/1C5N-ESI/1C5N-ESI_decoy_scores.csv |
1CC4-PHB | data/1C/1CC4-PHB/1CC4-PHB_ligand.pdbqt | data/1C/1CC4-PHB/1CC4-PHB_target.pdbqt | data/1C/1CC4-PHB/1CC4-PHB_decoys.pdbqt | data/1C/1CC4-PHB/1CC4-PHB_decoy_scores.csv |
1CNY-EG3 | data/1C/1CNY-EG3/1CNY-EG3_ligand.pdbqt | data/1C/1CNY-EG3/1CNY-EG3_target.pdbqt | data/1C/1CNY-EG3/1CNY-EG3_decoys.pdbqt | data/1C/1CNY-EG3/1CNY-EG3_decoy_scores.csv |
1C86-OPA | data/1C/1C86-OPA/1C86-OPA_ligand.pdbqt | data/1C/1C86-OPA/1C86-OPA_target.pdbqt | data/1C/1C86-OPA/1C86-OPA_decoys.pdbqt | data/1C/1C86-OPA/1C86-OPA_decoy_scores.csv |
1CFV-E3G | data/1C/1CFV-E3G/1CFV-E3G_ligand.pdbqt | data/1C/1CFV-E3G/1CFV-E3G_target.pdbqt | data/1C/1CFV-E3G/1CFV-E3G_decoys.pdbqt | data/1C/1CFV-E3G/1CFV-E3G_decoy_scores.csv |
1C1X-NAD | data/1C/1C1X-NAD/1C1X-NAD_ligand.pdbqt | data/1C/1C1X-NAD/1C1X-NAD_target.pdbqt | data/1C/1C1X-NAD/1C1X-NAD_decoys.pdbqt | data/1C/1C1X-NAD/1C1X-NAD_decoy_scores.csv |
1CUL-GSP | data/1C/1CUL-GSP/1CUL-GSP_ligand.pdbqt | data/1C/1CUL-GSP/1CUL-GSP_target.pdbqt | data/1C/1CUL-GSP/1CUL-GSP_decoys.pdbqt | data/1C/1CUL-GSP/1CUL-GSP_decoy_scores.csv |
1CBK-ROI | data/1C/1CBK-ROI/1CBK-ROI_ligand.pdbqt | data/1C/1CBK-ROI/1CBK-ROI_target.pdbqt | data/1C/1CBK-ROI/1CBK-ROI_decoys.pdbqt | data/1C/1CBK-ROI/1CBK-ROI_decoy_scores.csv |
1C0G-ATP | data/1C/1C0G-ATP/1C0G-ATP_ligand.pdbqt | data/1C/1C0G-ATP/1C0G-ATP_target.pdbqt | data/1C/1C0G-ATP/1C0G-ATP_decoys.pdbqt | data/1C/1C0G-ATP/1C0G-ATP_decoy_scores.csv |
1CBQ-RE9 | data/1C/1CBQ-RE9/1CBQ-RE9_ligand.pdbqt | data/1C/1CBQ-RE9/1CBQ-RE9_target.pdbqt | data/1C/1CBQ-RE9/1CBQ-RE9_decoys.pdbqt | data/1C/1CBQ-RE9/1CBQ-RE9_decoy_scores.csv |
1C8R-SQU | data/1C/1C8R-SQU/1C8R-SQU_ligand.pdbqt | data/1C/1C8R-SQU/1C8R-SQU_target.pdbqt | data/1C/1C8R-SQU/1C8R-SQU_decoys.pdbqt | data/1C/1C8R-SQU/1C8R-SQU_decoy_scores.csv |
1C5U-ESP | data/1C/1C5U-ESP/1C5U-ESP_ligand.pdbqt | data/1C/1C5U-ESP/1C5U-ESP_target.pdbqt | data/1C/1C5U-ESP/1C5U-ESP_decoys.pdbqt | data/1C/1C5U-ESP/1C5U-ESP_decoy_scores.csv |
1C8L-CFF | data/1C/1C8L-CFF/1C8L-CFF_ligand.pdbqt | data/1C/1C8L-CFF/1C8L-CFF_target.pdbqt | data/1C/1C8L-CFF/1C8L-CFF_decoys.pdbqt | data/1C/1C8L-CFF/1C8L-CFF_decoy_scores.csv |
1CLS-DEC | data/1C/1CLS-DEC/1CLS-DEC_ligand.pdbqt | data/1C/1CLS-DEC/1CLS-DEC_target.pdbqt | data/1C/1CLS-DEC/1CLS-DEC_decoys.pdbqt | data/1C/1CLS-DEC/1CLS-DEC_decoy_scores.csv |
1CY0-A3P | data/1C/1CY0-A3P/1CY0-A3P_ligand.pdbqt | data/1C/1CY0-A3P/1CY0-A3P_target.pdbqt | data/1C/1CY0-A3P/1CY0-A3P_decoys.pdbqt | data/1C/1CY0-A3P/1CY0-A3P_decoy_scores.csv |
1C7R-PA5 | data/1C/1C7R-PA5/1C7R-PA5_ligand.pdbqt | data/1C/1C7R-PA5/1C7R-PA5_target.pdbqt | data/1C/1C7R-PA5/1C7R-PA5_decoys.pdbqt | data/1C/1C7R-PA5/1C7R-PA5_decoy_scores.csv |
1CVR-H37 | data/1C/1CVR-H37/1CVR-H37_ligand.pdbqt | data/1C/1CVR-H37/1CVR-H37_target.pdbqt | data/1C/1CVR-H37/1CVR-H37_decoys.pdbqt | data/1C/1CVR-H37/1CVR-H37_decoy_scores.csv |
1C5Z-BEN | data/1C/1C5Z-BEN/1C5Z-BEN_ligand.pdbqt | data/1C/1C5Z-BEN/1C5Z-BEN_target.pdbqt | data/1C/1C5Z-BEN/1C5Z-BEN_decoys.pdbqt | data/1C/1C5Z-BEN/1C5Z-BEN_decoy_scores.csv |
1CH8-GPX | data/1C/1CH8-GPX/1CH8-GPX_ligand.pdbqt | data/1C/1CH8-GPX/1CH8-GPX_target.pdbqt | data/1C/1CH8-GPX/1CH8-GPX_decoys.pdbqt | data/1C/1CH8-GPX/1CH8-GPX_decoy_scores.csv |
1C5Z-FLC | data/1C/1C5Z-FLC/1C5Z-FLC_ligand.pdbqt | data/1C/1C5Z-FLC/1C5Z-FLC_target.pdbqt | data/1C/1C5Z-FLC/1C5Z-FLC_decoys.pdbqt | data/1C/1C5Z-FLC/1C5Z-FLC_decoy_scores.csv |
1CX9-NHP | data/1C/1CX9-NHP/1CX9-NHP_ligand.pdbqt | data/1C/1CX9-NHP/1CX9-NHP_target.pdbqt | data/1C/1CX9-NHP/1CX9-NHP_decoys.pdbqt | data/1C/1CX9-NHP/1CX9-NHP_decoy_scores.csv |
1C2I-BAK | data/1C/1C2I-BAK/1C2I-BAK_ligand.pdbqt | data/1C/1C2I-BAK/1C2I-BAK_target.pdbqt | data/1C/1C2I-BAK/1C2I-BAK_decoys.pdbqt | data/1C/1C2I-BAK/1C2I-BAK_decoy_scores.csv |
1C97-ICT | data/1C/1C97-ICT/1C97-ICT_ligand.pdbqt | data/1C/1C97-ICT/1C97-ICT_target.pdbqt | data/1C/1C97-ICT/1C97-ICT_decoys.pdbqt | data/1C/1C97-ICT/1C97-ICT_decoy_scores.csv |
1CR2-DTP | data/1C/1CR2-DTP/1CR2-DTP_ligand.pdbqt | data/1C/1CR2-DTP/1CR2-DTP_target.pdbqt | data/1C/1CR2-DTP/1CR2-DTP_decoys.pdbqt | data/1C/1CR2-DTP/1CR2-DTP_decoy_scores.csv |
1CS4-101 | data/1C/1CS4-101/1CS4-101_ligand.pdbqt | data/1C/1CS4-101/1CS4-101_target.pdbqt | data/1C/1CS4-101/1CS4-101_decoys.pdbqt | data/1C/1CS4-101/1CS4-101_decoy_scores.csv |
1CQQ-AG7 | data/1C/1CQQ-AG7/1CQQ-AG7_ligand.pdbqt | data/1C/1CQQ-AG7/1CQQ-AG7_target.pdbqt | data/1C/1CQQ-AG7/1CQQ-AG7_decoys.pdbqt | data/1C/1CQQ-AG7/1CQQ-AG7_decoy_scores.csv |
1C8U-LDA | data/1C/1C8U-LDA/1C8U-LDA_ligand.pdbqt | data/1C/1C8U-LDA/1C8U-LDA_target.pdbqt | data/1C/1C8U-LDA/1C8U-LDA_decoys.pdbqt | data/1C/1C8U-LDA/1C8U-LDA_decoy_scores.csv |
1C7F-FMN | data/1C/1C7F-FMN/1C7F-FMN_ligand.pdbqt | data/1C/1C7F-FMN/1C7F-FMN_target.pdbqt | data/1C/1C7F-FMN/1C7F-FMN_decoys.pdbqt | data/1C/1C7F-FMN/1C7F-FMN_decoy_scores.csv |
1C27-NLP | data/1C/1C27-NLP/1C27-NLP_ligand.pdbqt | data/1C/1C27-NLP/1C27-NLP_target.pdbqt | data/1C/1C27-NLP/1C27-NLP_decoys.pdbqt | data/1C/1C27-NLP/1C27-NLP_decoy_scores.csv |
1C1V-BAB | data/1C/1C1V-BAB/1C1V-BAB_ligand.pdbqt | data/1C/1C1V-BAB/1C1V-BAB_target.pdbqt | data/1C/1C1V-BAB/1C1V-BAB_decoys.pdbqt | data/1C/1C1V-BAB/1C1V-BAB_decoy_scores.csv |
1C9C-PP3 | data/1C/1C9C-PP3/1C9C-PP3_ligand.pdbqt | data/1C/1C9C-PP3/1C9C-PP3_target.pdbqt | data/1C/1C9C-PP3/1C9C-PP3_decoys.pdbqt | data/1C/1C9C-PP3/1C9C-PP3_decoy_scores.csv |
1C1C-612 | data/1C/1C1C-612/1C1C-612_ligand.pdbqt | data/1C/1C1C-612/1C1C-612_target.pdbqt | data/1C/1C1C-612/1C1C-612_decoys.pdbqt | data/1C/1C1C-612/1C1C-612_decoy_scores.csv |
1CIB-IMP | data/1C/1CIB-IMP/1CIB-IMP_ligand.pdbqt | data/1C/1CIB-IMP/1CIB-IMP_target.pdbqt | data/1C/1CIB-IMP/1CIB-IMP_decoys.pdbqt | data/1C/1CIB-IMP/1CIB-IMP_decoy_scores.csv |
1C70-L75 | data/1C/1C70-L75/1C70-L75_ligand.pdbqt | data/1C/1C70-L75/1C70-L75_target.pdbqt | data/1C/1C70-L75/1C70-L75_decoys.pdbqt | data/1C/1C70-L75/1C70-L75_decoy_scores.csv |
1CE5-BEN | data/1C/1CE5-BEN/1CE5-BEN_ligand.pdbqt | data/1C/1CE5-BEN/1CE5-BEN_target.pdbqt | data/1C/1CE5-BEN/1CE5-BEN_decoys.pdbqt | data/1C/1CE5-BEN/1CE5-BEN_decoy_scores.csv |
1C8K-CPB | data/1C/1C8K-CPB/1C8K-CPB_ligand.pdbqt | data/1C/1C8K-CPB/1C8K-CPB_target.pdbqt | data/1C/1C8K-CPB/1C8K-CPB_decoys.pdbqt | data/1C/1C8K-CPB/1C8K-CPB_decoy_scores.csv |
1CTT-DHZ | data/1C/1CTT-DHZ/1CTT-DHZ_ligand.pdbqt | data/1C/1CTT-DHZ/1CTT-DHZ_target.pdbqt | data/1C/1CTT-DHZ/1CTT-DHZ_decoys.pdbqt | data/1C/1CTT-DHZ/1CTT-DHZ_decoy_scores.csv |
1CEL-BGC | data/1C/1CEL-BGC/1CEL-BGC_ligand.pdbqt | data/1C/1CEL-BGC/1CEL-BGC_target.pdbqt | data/1C/1CEL-BGC/1CEL-BGC_decoys.pdbqt | data/1C/1CEL-BGC/1CEL-BGC_decoy_scores.csv |
1CKM-GTP | data/1C/1CKM-GTP/1CKM-GTP_ligand.pdbqt | data/1C/1CKM-GTP/1CKM-GTP_target.pdbqt | data/1C/1CKM-GTP/1CKM-GTP_decoys.pdbqt | data/1C/1CKM-GTP/1CKM-GTP_decoy_scores.csv |
1C2T-NHS | data/1C/1C2T-NHS/1C2T-NHS_ligand.pdbqt | data/1C/1C2T-NHS/1C2T-NHS_target.pdbqt | data/1C/1C2T-NHS/1C2T-NHS_decoys.pdbqt | data/1C/1C2T-NHS/1C2T-NHS_decoy_scores.csv |
1CNX-EG2 | data/1C/1CNX-EG2/1CNX-EG2_ligand.pdbqt | data/1C/1CNX-EG2/1CNX-EG2_target.pdbqt | data/1C/1CNX-EG2/1CNX-EG2_decoys.pdbqt | data/1C/1CNX-EG2/1CNX-EG2_decoy_scores.csv |
1C5X-ESI | data/1C/1C5X-ESI/1C5X-ESI_ligand.pdbqt | data/1C/1C5X-ESI/1C5X-ESI_target.pdbqt | data/1C/1C5X-ESI/1C5X-ESI_decoys.pdbqt | data/1C/1C5X-ESI/1C5X-ESI_decoy_scores.csv |
1COM-PRE | data/1C/1COM-PRE/1COM-PRE_ligand.pdbqt | data/1C/1COM-PRE/1COM-PRE_target.pdbqt | data/1C/1COM-PRE/1COM-PRE_decoys.pdbqt | data/1C/1COM-PRE/1COM-PRE_decoy_scores.csv |
1CIM-PTS | data/1C/1CIM-PTS/1CIM-PTS_ligand.pdbqt | data/1C/1CIM-PTS/1CIM-PTS_target.pdbqt | data/1C/1CIM-PTS/1CIM-PTS_decoys.pdbqt | data/1C/1CIM-PTS/1CIM-PTS_decoy_scores.csv |
1C1U-BAI | data/1C/1C1U-BAI/1C1U-BAI_ligand.pdbqt | data/1C/1C1U-BAI/1C1U-BAI_target.pdbqt | data/1C/1C1U-BAI/1C1U-BAI_decoys.pdbqt | data/1C/1C1U-BAI/1C1U-BAI_decoy_scores.csv |
1CTR-TFP | data/1C/1CTR-TFP/1CTR-TFP_ligand.pdbqt | data/1C/1CTR-TFP/1CTR-TFP_target.pdbqt | data/1C/1CTR-TFP/1CTR-TFP_decoys.pdbqt | data/1C/1CTR-TFP/1CTR-TFP_decoy_scores.csv |
1C5Q-ESI | data/1C/1C5Q-ESI/1C5Q-ESI_ligand.pdbqt | data/1C/1C5Q-ESI/1C5Q-ESI_target.pdbqt | data/1C/1C5Q-ESI/1C5Q-ESI_decoys.pdbqt | data/1C/1C5Q-ESI/1C5Q-ESI_decoy_scores.csv |
1CR4-TYD | data/1C/1CR4-TYD/1CR4-TYD_ligand.pdbqt | data/1C/1CR4-TYD/1CR4-TYD_target.pdbqt | data/1C/1CR4-TYD/1CR4-TYD_decoys.pdbqt | data/1C/1CR4-TYD/1CR4-TYD_decoy_scores.csv |
1CY1-THP | data/1C/1CY1-THP/1CY1-THP_ligand.pdbqt | data/1C/1CY1-THP/1CY1-THP_target.pdbqt | data/1C/1CY1-THP/1CY1-THP_decoys.pdbqt | data/1C/1CY1-THP/1CY1-THP_decoy_scores.csv |
1CPC-CYC | data/1C/1CPC-CYC/1CPC-CYC_ligand.pdbqt | data/1C/1CPC-CYC/1CPC-CYC_target.pdbqt | data/1C/1CPC-CYC/1CPC-CYC_decoys.pdbqt | data/1C/1CPC-CYC/1CPC-CYC_decoy_scores.csv |
1CY8-T3P | data/1C/1CY8-T3P/1CY8-T3P_ligand.pdbqt | data/1C/1CY8-T3P/1CY8-T3P_target.pdbqt | data/1C/1CY8-T3P/1CY8-T3P_decoys.pdbqt | data/1C/1CY8-T3P/1CY8-T3P_decoy_scores.csv |
1CUL-3PO | data/1C/1CUL-3PO/1CUL-3PO_ligand.pdbqt | data/1C/1CUL-3PO/1CUL-3PO_target.pdbqt | data/1C/1CUL-3PO/1CUL-3PO_decoys.pdbqt | data/1C/1CUL-3PO/1CUL-3PO_decoy_scores.csv |
1CQ1-PQQ | data/1C/1CQ1-PQQ/1CQ1-PQQ_ligand.pdbqt | data/1C/1CQ1-PQQ/1CQ1-PQQ_target.pdbqt | data/1C/1CQ1-PQQ/1CQ1-PQQ_decoys.pdbqt | data/1C/1CQ1-PQQ/1CQ1-PQQ_decoy_scores.csv |
1CZK-FMN | data/1C/1CZK-FMN/1CZK-FMN_ligand.pdbqt | data/1C/1CZK-FMN/1CZK-FMN_target.pdbqt | data/1C/1CZK-FMN/1CZK-FMN_decoys.pdbqt | data/1C/1CZK-FMN/1CZK-FMN_decoy_scores.csv |
1CVZ-C48 | data/1C/1CVZ-C48/1CVZ-C48_ligand.pdbqt | data/1C/1CVZ-C48/1CVZ-C48_target.pdbqt | data/1C/1CVZ-C48/1CVZ-C48_decoys.pdbqt | data/1C/1CVZ-C48/1CVZ-C48_decoy_scores.csv |
1C8R-RET | data/1C/1C8R-RET/1C8R-RET_ligand.pdbqt | data/1C/1C8R-RET/1C8R-RET_target.pdbqt | data/1C/1C8R-RET/1C8R-RET_decoys.pdbqt | data/1C/1C8R-RET/1C8R-RET_decoy_scores.csv |
1CT9-GLN | data/1C/1CT9-GLN/1CT9-GLN_ligand.pdbqt | data/1C/1CT9-GLN/1CT9-GLN_target.pdbqt | data/1C/1CT9-GLN/1CT9-GLN_decoys.pdbqt | data/1C/1CT9-GLN/1CT9-GLN_decoy_scores.csv |
1CT8-TAA | data/1C/1CT8-TAA/1CT8-TAA_ligand.pdbqt | data/1C/1CT8-TAA/1CT8-TAA_target.pdbqt | data/1C/1CT8-TAA/1CT8-TAA_decoys.pdbqt | data/1C/1CT8-TAA/1CT8-TAA_decoy_scores.csv |
1CIN-MTS | data/1C/1CIN-MTS/1CIN-MTS_ligand.pdbqt | data/1C/1CIN-MTS/1CIN-MTS_target.pdbqt | data/1C/1CIN-MTS/1CIN-MTS_decoys.pdbqt | data/1C/1CIN-MTS/1CIN-MTS_decoy_scores.csv |
1CBS-REA | data/1C/1CBS-REA/1CBS-REA_ligand.pdbqt | data/1C/1CBS-REA/1CBS-REA_target.pdbqt | data/1C/1CBS-REA/1CBS-REA_decoys.pdbqt | data/1C/1CBS-REA/1CBS-REA_decoy_scores.csv |
1CSN-ATP | data/1C/1CSN-ATP/1CSN-ATP_ligand.pdbqt | data/1C/1CSN-ATP/1CSN-ATP_target.pdbqt | data/1C/1CSN-ATP/1CSN-ATP_decoys.pdbqt | data/1C/1CSN-ATP/1CSN-ATP_decoy_scores.csv |
1C5S-ESX | data/1C/1C5S-ESX/1C5S-ESX_ligand.pdbqt | data/1C/1C5S-ESX/1C5S-ESX_target.pdbqt | data/1C/1C5S-ESX/1C5S-ESX_decoys.pdbqt | data/1C/1C5S-ESX/1C5S-ESX_decoy_scores.csv |
1C5R-ESI | data/1C/1C5R-ESI/1C5R-ESI_ligand.pdbqt | data/1C/1C5R-ESI/1C5R-ESI_target.pdbqt | data/1C/1C5R-ESI/1C5R-ESI_decoys.pdbqt | data/1C/1C5R-ESI/1C5R-ESI_decoy_scores.csv |
1C6Y-MK1 | data/1C/1C6Y-MK1/1C6Y-MK1_ligand.pdbqt | data/1C/1C6Y-MK1/1C6Y-MK1_target.pdbqt | data/1C/1C6Y-MK1/1C6Y-MK1_decoys.pdbqt | data/1C/1C6Y-MK1/1C6Y-MK1_decoy_scores.csv |
1CZN-FMN | data/1C/1CZN-FMN/1CZN-FMN_ligand.pdbqt | data/1C/1CZN-FMN/1CZN-FMN_target.pdbqt | data/1C/1CZN-FMN/1CZN-FMN_decoys.pdbqt | data/1C/1CZN-FMN/1CZN-FMN_decoy_scores.csv |
1CWQ-UND | data/1C/1CWQ-UND/1CWQ-UND_ligand.pdbqt | data/1C/1CWQ-UND/1CWQ-UND_target.pdbqt | data/1C/1CWQ-UND/1CWQ-UND_decoys.pdbqt | data/1C/1CWQ-UND/1CWQ-UND_decoy_scores.csv |
1CIL-ETS | data/1C/1CIL-ETS/1CIL-ETS_ligand.pdbqt | data/1C/1CIL-ETS/1CIL-ETS_target.pdbqt | data/1C/1CIL-ETS/1CIL-ETS_decoys.pdbqt | data/1C/1CIL-ETS/1CIL-ETS_decoy_scores.csv |
1C9D-HF1 | data/1C/1C9D-HF1/1C9D-HF1_ligand.pdbqt | data/1C/1C9D-HF1/1C9D-HF1_target.pdbqt | data/1C/1C9D-HF1/1C9D-HF1_decoys.pdbqt | data/1C/1C9D-HF1/1C9D-HF1_decoy_scores.csv |
1CJ3-PHB | data/1C/1CJ3-PHB/1CJ3-PHB_ligand.pdbqt | data/1C/1CJ3-PHB/1CJ3-PHB_target.pdbqt | data/1C/1CJ3-PHB/1CJ3-PHB_decoys.pdbqt | data/1C/1CJ3-PHB/1CJ3-PHB_decoy_scores.csv |
1CWQ-RET | data/1C/1CWQ-RET/1CWQ-RET_ligand.pdbqt | data/1C/1CWQ-RET/1CWQ-RET_target.pdbqt | data/1C/1CWQ-RET/1CWQ-RET_decoys.pdbqt | data/1C/1CWQ-RET/1CWQ-RET_decoy_scores.csv |
1C5R-FLC | data/1C/1C5R-FLC/1C5R-FLC_ligand.pdbqt | data/1C/1C5R-FLC/1C5R-FLC_target.pdbqt | data/1C/1C5R-FLC/1C5R-FLC_decoys.pdbqt | data/1C/1C5R-FLC/1C5R-FLC_decoy_scores.csv |
1C3W-LI1 | data/1C/1C3W-LI1/1C3W-LI1_ligand.pdbqt | data/1C/1C3W-LI1/1C3W-LI1_target.pdbqt | data/1C/1C3W-LI1/1C3W-LI1_decoys.pdbqt | data/1C/1C3W-LI1/1C3W-LI1_decoy_scores.csv |
1C83-OAI | data/1C/1C83-OAI/1C83-OAI_ligand.pdbqt | data/1C/1C83-OAI/1C83-OAI_target.pdbqt | data/1C/1C83-OAI/1C83-OAI_decoys.pdbqt | data/1C/1C83-OAI/1C83-OAI_decoy_scores.csv |
1CM8-ANP | data/1C/1CM8-ANP/1CM8-ANP_ligand.pdbqt | data/1C/1CM8-ANP/1CM8-ANP_target.pdbqt | data/1C/1CM8-ANP/1CM8-ANP_decoys.pdbqt | data/1C/1CM8-ANP/1CM8-ANP_decoy_scores.csv |
1CA7-ENO | data/1C/1CA7-ENO/1CA7-ENO_ligand.pdbqt | data/1C/1CA7-ENO/1CA7-ENO_target.pdbqt | data/1C/1CA7-ENO/1CA7-ENO_decoys.pdbqt | data/1C/1CA7-ENO/1CA7-ENO_decoy_scores.csv |
1C2T-GAR | data/1C/1C2T-GAR/1C2T-GAR_ligand.pdbqt | data/1C/1C2T-GAR/1C2T-GAR_target.pdbqt | data/1C/1C2T-GAR/1C2T-GAR_decoys.pdbqt | data/1C/1C2T-GAR/1C2T-GAR_decoy_scores.csv |
1CUL-103 | data/1C/1CUL-103/1CUL-103_ligand.pdbqt | data/1C/1CUL-103/1CUL-103_target.pdbqt | data/1C/1CUL-103/1CUL-103_decoys.pdbqt | data/1C/1CUL-103/1CUL-103_decoy_scores.csv |
1C3V-PDC | data/1C/1C3V-PDC/1C3V-PDC_ligand.pdbqt | data/1C/1C3V-PDC/1C3V-PDC_target.pdbqt | data/1C/1C3V-PDC/1C3V-PDC_decoys.pdbqt | data/1C/1C3V-PDC/1C3V-PDC_decoy_scores.csv |
1C1R-BAI | data/1C/1C1R-BAI/1C1R-BAI_ligand.pdbqt | data/1C/1C1R-BAI/1C1R-BAI_target.pdbqt | data/1C/1C1R-BAI/1C1R-BAI_decoys.pdbqt | data/1C/1C1R-BAI/1C1R-BAI_decoy_scores.csv |
1C1X-HFA | data/1C/1C1X-HFA/1C1X-HFA_ligand.pdbqt | data/1C/1C1X-HFA/1C1X-HFA_target.pdbqt | data/1C/1C1X-HFA/1C1X-HFA_decoys.pdbqt | data/1C/1C1X-HFA/1C1X-HFA_decoy_scores.csv |
1C30-ADP | data/1C/1C30-ADP/1C30-ADP_ligand.pdbqt | data/1C/1C30-ADP/1C30-ADP_target.pdbqt | data/1C/1C30-ADP/1C30-ADP_decoys.pdbqt | data/1C/1C30-ADP/1C30-ADP_decoy_scores.csv |
1CZU-FMN | data/1C/1CZU-FMN/1CZU-FMN_ligand.pdbqt | data/1C/1CZU-FMN/1CZU-FMN_target.pdbqt | data/1C/1CZU-FMN/1CZU-FMN_decoys.pdbqt | data/1C/1CZU-FMN/1CZU-FMN_decoy_scores.csv |
1CJ4-PHB | data/1C/1CJ4-PHB/1CJ4-PHB_ligand.pdbqt | data/1C/1CJ4-PHB/1CJ4-PHB_target.pdbqt | data/1C/1CJ4-PHB/1CJ4-PHB_decoys.pdbqt | data/1C/1CJ4-PHB/1CJ4-PHB_decoy_scores.csv |
1CEL-GLC | data/1C/1CEL-GLC/1CEL-GLC_ligand.pdbqt | data/1C/1CEL-GLC/1CEL-GLC_target.pdbqt | data/1C/1CEL-GLC/1CEL-GLC_decoys.pdbqt | data/1C/1CEL-GLC/1CEL-GLC_decoy_scores.csv |
1CIB-GDP | data/1C/1CIB-GDP/1CIB-GDP_ligand.pdbqt | data/1C/1CIB-GDP/1CIB-GDP_target.pdbqt | data/1C/1CIB-GDP/1CIB-GDP_decoys.pdbqt | data/1C/1CIB-GDP/1CIB-GDP_decoy_scores.csv |
1CG0-IMO | data/1C/1CG0-IMO/1CG0-IMO_ligand.pdbqt | data/1C/1CG0-IMO/1CG0-IMO_target.pdbqt | data/1C/1CG0-IMO/1CG0-IMO_decoys.pdbqt | data/1C/1CG0-IMO/1CG0-IMO_decoy_scores.csv |
1C7E-FMN | data/1C/1C7E-FMN/1C7E-FMN_ligand.pdbqt | data/1C/1C7E-FMN/1C7E-FMN_target.pdbqt | data/1C/1C7E-FMN/1C7E-FMN_decoys.pdbqt | data/1C/1C7E-FMN/1C7E-FMN_decoy_scores.csv |
1C5Y-FLC | data/1C/1C5Y-FLC/1C5Y-FLC_ligand.pdbqt | data/1C/1C5Y-FLC/1C5Y-FLC_target.pdbqt | data/1C/1C5Y-FLC/1C5Y-FLC_decoys.pdbqt | data/1C/1C5Y-FLC/1C5Y-FLC_decoy_scores.csv |
1C6Z-ROC | data/1C/1C6Z-ROC/1C6Z-ROC_ligand.pdbqt | data/1C/1C6Z-ROC/1C6Z-ROC_target.pdbqt | data/1C/1C6Z-ROC/1C6Z-ROC_decoys.pdbqt | data/1C/1C6Z-ROC/1C6Z-ROC_decoy_scores.csv |
1CIZ-DPS | data/1C/1CIZ-DPS/1CIZ-DPS_ligand.pdbqt | data/1C/1CIZ-DPS/1CIZ-DPS_target.pdbqt | data/1C/1CIZ-DPS/1CIZ-DPS_decoys.pdbqt | data/1C/1CIZ-DPS/1CIZ-DPS_decoy_scores.csv |
1CXV-CBP | data/1C/1CXV-CBP/1CXV-CBP_ligand.pdbqt | data/1C/1CXV-CBP/1CXV-CBP_target.pdbqt | data/1C/1CXV-CBP/1CXV-CBP_decoys.pdbqt | data/1C/1CXV-CBP/1CXV-CBP_decoy_scores.csv |
1C3I-TR1 | data/1C/1C3I-TR1/1C3I-TR1_ligand.pdbqt | data/1C/1C3I-TR1/1C3I-TR1_target.pdbqt | data/1C/1C3I-TR1/1C3I-TR1_decoys.pdbqt | data/1C/1C3I-TR1/1C3I-TR1_decoy_scores.csv |
1CZR-FMN | data/1C/1CZR-FMN/1CZR-FMN_ligand.pdbqt | data/1C/1CZR-FMN/1CZR-FMN_target.pdbqt | data/1C/1CZR-FMN/1CZR-FMN_decoys.pdbqt | data/1C/1CZR-FMN/1CZR-FMN_decoy_scores.csv |
1CH0-2GP | data/1C/1CH0-2GP/1CH0-2GP_ligand.pdbqt | data/1C/1CH0-2GP/1CH0-2GP_target.pdbqt | data/1C/1CH0-2GP/1CH0-2GP_decoys.pdbqt | data/1C/1CH0-2GP/1CH0-2GP_decoy_scores.csv |
1C2G-BAH | data/1C/1C2G-BAH/1C2G-BAH_ligand.pdbqt | data/1C/1C2G-BAH/1C2G-BAH_target.pdbqt | data/1C/1C2G-BAH/1C2G-BAH_decoys.pdbqt | data/1C/1C2G-BAH/1C2G-BAH_decoy_scores.csv |
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