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 ⌀ |
|---|---|---|---|---|
2C6L-DT4 | data/2C/2C6L-DT4/2C6L-DT4_ligand.pdbqt | data/2C/2C6L-DT4/2C6L-DT4_target.pdbqt | data/2C/2C6L-DT4/2C6L-DT4_decoys.pdbqt | data/2C/2C6L-DT4/2C6L-DT4_decoy_scores.csv |
2C29-DQH | data/2C/2C29-DQH/2C29-DQH_ligand.pdbqt | data/2C/2C29-DQH/2C29-DQH_target.pdbqt | data/2C/2C29-DQH/2C29-DQH_decoys.pdbqt | data/2C/2C29-DQH/2C29-DQH_decoy_scores.csv |
2C98-ADP | data/2C/2C98-ADP/2C98-ADP_ligand.pdbqt | data/2C/2C98-ADP/2C98-ADP_target.pdbqt | data/2C/2C98-ADP/2C98-ADP_decoys.pdbqt | data/2C/2C98-ADP/2C98-ADP_decoy_scores.csv |
2CJ9-SSA | data/2C/2CJ9-SSA/2CJ9-SSA_ligand.pdbqt | data/2C/2CJ9-SSA/2CJ9-SSA_target.pdbqt | data/2C/2CJ9-SSA/2CJ9-SSA_decoys.pdbqt | data/2C/2CJ9-SSA/2CJ9-SSA_decoy_scores.csv |
2CJA-ATP | data/2C/2CJA-ATP/2CJA-ATP_ligand.pdbqt | data/2C/2CJA-ATP/2CJA-ATP_target.pdbqt | data/2C/2CJA-ATP/2CJA-ATP_decoys.pdbqt | data/2C/2CJA-ATP/2CJA-ATP_decoy_scores.csv |
2COJ-GBN | data/2C/2COJ-GBN/2COJ-GBN_ligand.pdbqt | data/2C/2COJ-GBN/2COJ-GBN_target.pdbqt | data/2C/2COJ-GBN/2COJ-GBN_decoys.pdbqt | data/2C/2COJ-GBN/2COJ-GBN_decoy_scores.csv |
2CJU-PHX | data/2C/2CJU-PHX/2CJU-PHX_ligand.pdbqt | data/2C/2CJU-PHX/2CJU-PHX_target.pdbqt | data/2C/2CJU-PHX/2CJU-PHX_decoys.pdbqt | data/2C/2CJU-PHX/2CJU-PHX_decoy_scores.csv |
2CLO-PLS | data/2C/2CLO-PLS/2CLO-PLS_ligand.pdbqt | data/2C/2CLO-PLS/2CLO-PLS_target.pdbqt | data/2C/2CLO-PLS/2CLO-PLS_decoys.pdbqt | data/2C/2CLO-PLS/2CLO-PLS_decoy_scores.csv |
2C4I-BTN | data/2C/2C4I-BTN/2C4I-BTN_ligand.pdbqt | data/2C/2C4I-BTN/2C4I-BTN_target.pdbqt | data/2C/2C4I-BTN/2C4I-BTN_decoys.pdbqt | data/2C/2C4I-BTN/2C4I-BTN_decoy_scores.csv |
2CNQ-AMZ | data/2C/2CNQ-AMZ/2CNQ-AMZ_ligand.pdbqt | data/2C/2CNQ-AMZ/2CNQ-AMZ_target.pdbqt | data/2C/2CNQ-AMZ/2CNQ-AMZ_decoys.pdbqt | data/2C/2CNQ-AMZ/2CNQ-AMZ_decoy_scores.csv |
2CMK-CDP | data/2C/2CMK-CDP/2CMK-CDP_ligand.pdbqt | data/2C/2CMK-CDP/2CMK-CDP_target.pdbqt | data/2C/2CMK-CDP/2CMK-CDP_decoys.pdbqt | data/2C/2CMK-CDP/2CMK-CDP_decoy_scores.csv |
2CKI-ARG | data/2C/2CKI-ARG/2CKI-ARG_ligand.pdbqt | data/2C/2CKI-ARG/2CKI-ARG_target.pdbqt | data/2C/2CKI-ARG/2CKI-ARG_decoys.pdbqt | data/2C/2CKI-ARG/2CKI-ARG_decoy_scores.csv |
2CLX-F18 | data/2C/2CLX-F18/2CLX-F18_ligand.pdbqt | data/2C/2CLX-F18/2CLX-F18_target.pdbqt | data/2C/2CLX-F18/2CLX-F18_decoys.pdbqt | data/2C/2CLX-F18/2CLX-F18_decoy_scores.csv |
2CFZ-1DO | data/2C/2CFZ-1DO/2CFZ-1DO_ligand.pdbqt | data/2C/2CFZ-1DO/2CFZ-1DO_target.pdbqt | data/2C/2CFZ-1DO/2CFZ-1DO_decoys.pdbqt | data/2C/2CFZ-1DO/2CFZ-1DO_decoy_scores.csv |
2CBG-PMS | data/2C/2CBG-PMS/2CBG-PMS_ligand.pdbqt | data/2C/2CBG-PMS/2CBG-PMS_target.pdbqt | data/2C/2CBG-PMS/2CBG-PMS_decoys.pdbqt | data/2C/2CBG-PMS/2CBG-PMS_decoy_scores.csv |
2CUN-3PG | data/2C/2CUN-3PG/2CUN-3PG_ligand.pdbqt | data/2C/2CUN-3PG/2CUN-3PG_target.pdbqt | data/2C/2CUN-3PG/2CUN-3PG_decoys.pdbqt | data/2C/2CUN-3PG/2CUN-3PG_decoy_scores.csv |
2C97-JCL | data/2C/2C97-JCL/2C97-JCL_ligand.pdbqt | data/2C/2C97-JCL/2C97-JCL_target.pdbqt | data/2C/2C97-JCL/2C97-JCL_decoys.pdbqt | data/2C/2C97-JCL/2C97-JCL_decoy_scores.csv |
2C8H-NAD | data/2C/2C8H-NAD/2C8H-NAD_ligand.pdbqt | data/2C/2C8H-NAD/2C8H-NAD_target.pdbqt | data/2C/2C8H-NAD/2C8H-NAD_decoys.pdbqt | data/2C/2C8H-NAD/2C8H-NAD_decoy_scores.csv |
2C8F-NAD | data/2C/2C8F-NAD/2C8F-NAD_ligand.pdbqt | data/2C/2C8F-NAD/2C8F-NAD_target.pdbqt | data/2C/2C8F-NAD/2C8F-NAD_decoys.pdbqt | data/2C/2C8F-NAD/2C8F-NAD_decoy_scores.csv |
2CET-PGI | data/2C/2CET-PGI/2CET-PGI_ligand.pdbqt | data/2C/2CET-PGI/2CET-PGI_target.pdbqt | data/2C/2CET-PGI/2CET-PGI_decoys.pdbqt | data/2C/2CET-PGI/2CET-PGI_decoy_scores.csv |
2CM9-RCL | data/2C/2CM9-RCL/2CM9-RCL_ligand.pdbqt | data/2C/2CM9-RCL/2CM9-RCL_target.pdbqt | data/2C/2CM9-RCL/2CM9-RCL_decoys.pdbqt | data/2C/2CM9-RCL/2CM9-RCL_decoy_scores.csv |
2C5A-GDC | data/2C/2C5A-GDC/2C5A-GDC_ligand.pdbqt | data/2C/2C5A-GDC/2C5A-GDC_target.pdbqt | data/2C/2C5A-GDC/2C5A-GDC_decoys.pdbqt | data/2C/2C5A-GDC/2C5A-GDC_decoy_scores.csv |
2C9C-ATP | data/2C/2C9C-ATP/2C9C-ATP_ligand.pdbqt | data/2C/2C9C-ATP/2C9C-ATP_target.pdbqt | data/2C/2C9C-ATP/2C9C-ATP_decoys.pdbqt | data/2C/2C9C-ATP/2C9C-ATP_decoy_scores.csv |
2CD8-PXI | data/2C/2CD8-PXI/2CD8-PXI_ligand.pdbqt | data/2C/2CD8-PXI/2CD8-PXI_target.pdbqt | data/2C/2CD8-PXI/2CD8-PXI_decoys.pdbqt | data/2C/2CD8-PXI/2CD8-PXI_decoy_scores.csv |
2CCC-LFN | data/2C/2CCC-LFN/2CCC-LFN_ligand.pdbqt | data/2C/2CCC-LFN/2CCC-LFN_target.pdbqt | data/2C/2CCC-LFN/2CCC-LFN_decoys.pdbqt | data/2C/2CCC-LFN/2CCC-LFN_decoy_scores.csv |
2C6O-4SP | data/2C/2C6O-4SP/2C6O-4SP_ligand.pdbqt | data/2C/2C6O-4SP/2C6O-4SP_target.pdbqt | data/2C/2C6O-4SP/2C6O-4SP_decoys.pdbqt | data/2C/2C6O-4SP/2C6O-4SP_decoy_scores.csv |
2CKS-BEN | data/2C/2CKS-BEN/2CKS-BEN_ligand.pdbqt | data/2C/2CKS-BEN/2CKS-BEN_target.pdbqt | data/2C/2CKS-BEN/2CKS-BEN_decoys.pdbqt | data/2C/2CKS-BEN/2CKS-BEN_decoy_scores.csv |
2C80-GTX | data/2C/2C80-GTX/2C80-GTX_ligand.pdbqt | data/2C/2C80-GTX/2C80-GTX_target.pdbqt | data/2C/2C80-GTX/2C80-GTX_decoys.pdbqt | data/2C/2C80-GTX/2C80-GTX_decoy_scores.csv |
2C9Z-QUE | data/2C/2C9Z-QUE/2C9Z-QUE_ligand.pdbqt | data/2C/2C9Z-QUE/2C9Z-QUE_target.pdbqt | data/2C/2C9Z-QUE/2C9Z-QUE_decoys.pdbqt | data/2C/2C9Z-QUE/2C9Z-QUE_decoy_scores.csv |
2C3I-IYZ | data/2C/2C3I-IYZ/2C3I-IYZ_ligand.pdbqt | data/2C/2C3I-IYZ/2C3I-IYZ_target.pdbqt | data/2C/2C3I-IYZ/2C3I-IYZ_decoys.pdbqt | data/2C/2C3I-IYZ/2C3I-IYZ_decoy_scores.csv |
2CN0-F25 | data/2C/2CN0-F25/2CN0-F25_ligand.pdbqt | data/2C/2CN0-F25/2CN0-F25_target.pdbqt | data/2C/2CN0-F25/2CN0-F25_decoys.pdbqt | data/2C/2CN0-F25/2CN0-F25_decoy_scores.csv |
2C1Z-U2F | data/2C/2C1Z-U2F/2C1Z-U2F_ligand.pdbqt | data/2C/2C1Z-U2F/2C1Z-U2F_target.pdbqt | data/2C/2C1Z-U2F/2C1Z-U2F_decoys.pdbqt | data/2C/2C1Z-U2F/2C1Z-U2F_decoy_scores.csv |
2CNG-IZE | data/2C/2CNG-IZE/2CNG-IZE_ligand.pdbqt | data/2C/2CNG-IZE/2CNG-IZE_target.pdbqt | data/2C/2CNG-IZE/2CNG-IZE_decoys.pdbqt | data/2C/2CNG-IZE/2CNG-IZE_decoy_scores.csv |
2CFC-KPC | data/2C/2CFC-KPC/2CFC-KPC_ligand.pdbqt | data/2C/2CFC-KPC/2CFC-KPC_target.pdbqt | data/2C/2CFC-KPC/2CFC-KPC_decoys.pdbqt | data/2C/2CFC-KPC/2CFC-KPC_decoy_scores.csv |
2CEJ-1AH | data/2C/2CEJ-1AH/2CEJ-1AH_ligand.pdbqt | data/2C/2CEJ-1AH/2CEJ-1AH_target.pdbqt | data/2C/2CEJ-1AH/2CEJ-1AH_decoys.pdbqt | data/2C/2CEJ-1AH/2CEJ-1AH_decoy_scores.csv |
2CGU-3A3 | data/2C/2CGU-3A3/2CGU-3A3_ligand.pdbqt | data/2C/2CGU-3A3/2CGU-3A3_target.pdbqt | data/2C/2CGU-3A3/2CGU-3A3_decoys.pdbqt | data/2C/2CGU-3A3/2CGU-3A3_decoy_scores.csv |
2CL6-XY2 | data/2C/2CL6-XY2/2CL6-XY2_ligand.pdbqt | data/2C/2CL6-XY2/2CL6-XY2_target.pdbqt | data/2C/2CL6-XY2/2CL6-XY2_decoys.pdbqt | data/2C/2CL6-XY2/2CL6-XY2_decoy_scores.csv |
2C3J-DBQ | data/2C/2C3J-DBQ/2C3J-DBQ_ligand.pdbqt | data/2C/2C3J-DBQ/2C3J-DBQ_target.pdbqt | data/2C/2C3J-DBQ/2C3J-DBQ_decoys.pdbqt | data/2C/2C3J-DBQ/2C3J-DBQ_decoy_scores.csv |
2CBS-R13 | data/2C/2CBS-R13/2CBS-R13_ligand.pdbqt | data/2C/2CBS-R13/2CBS-R13_target.pdbqt | data/2C/2CBS-R13/2CBS-R13_decoys.pdbqt | data/2C/2CBS-R13/2CBS-R13_decoy_scores.csv |
2C1B-CQP | data/2C/2C1B-CQP/2C1B-CQP_ligand.pdbqt | data/2C/2C1B-CQP/2C1B-CQP_target.pdbqt | data/2C/2C1B-CQP/2C1B-CQP_decoys.pdbqt | data/2C/2C1B-CQP/2C1B-CQP_decoy_scores.csv |
2C49-ADN | data/2C/2C49-ADN/2C49-ADN_ligand.pdbqt | data/2C/2C49-ADN/2C49-ADN_target.pdbqt | data/2C/2C49-ADN/2C49-ADN_decoys.pdbqt | data/2C/2C49-ADN/2C49-ADN_decoy_scores.csv |
2C72-RSA | data/2C/2C72-RSA/2C72-RSA_ligand.pdbqt | data/2C/2C72-RSA/2C72-RSA_target.pdbqt | data/2C/2C72-RSA/2C72-RSA_decoys.pdbqt | data/2C/2C72-RSA/2C72-RSA_decoy_scores.csv |
2C76-RSA | data/2C/2C76-RSA/2C76-RSA_ligand.pdbqt | data/2C/2C76-RSA/2C76-RSA_target.pdbqt | data/2C/2C76-RSA/2C76-RSA_decoys.pdbqt | data/2C/2C76-RSA/2C76-RSA_decoy_scores.csv |
2CLM-PLS | data/2C/2CLM-PLS/2CLM-PLS_ligand.pdbqt | data/2C/2CLM-PLS/2CLM-PLS_target.pdbqt | data/2C/2CLM-PLS/2CLM-PLS_decoys.pdbqt | data/2C/2CLM-PLS/2CLM-PLS_decoy_scores.csv |
2C12-PE4 | data/2C/2C12-PE4/2C12-PE4_ligand.pdbqt | data/2C/2C12-PE4/2C12-PE4_target.pdbqt | data/2C/2C12-PE4/2C12-PE4_decoys.pdbqt | data/2C/2C12-PE4/2C12-PE4_decoy_scores.csv |
2C81-PMP | data/2C/2C81-PMP/2C81-PMP_ligand.pdbqt | data/2C/2C81-PMP/2C81-PMP_target.pdbqt | data/2C/2C81-PMP/2C81-PMP_decoys.pdbqt | data/2C/2C81-PMP/2C81-PMP_decoy_scores.csv |
2C78-GNP | data/2C/2C78-GNP/2C78-GNP_ligand.pdbqt | data/2C/2C78-GNP/2C78-GNP_target.pdbqt | data/2C/2C78-GNP/2C78-GNP_decoys.pdbqt | data/2C/2C78-GNP/2C78-GNP_decoy_scores.csv |
2CE2-GDP | data/2C/2CE2-GDP/2CE2-GDP_ligand.pdbqt | data/2C/2CE2-GDP/2CE2-GDP_target.pdbqt | data/2C/2CE2-GDP/2CE2-GDP_decoys.pdbqt | data/2C/2CE2-GDP/2CE2-GDP_decoy_scores.csv |
2COI-GBN | data/2C/2COI-GBN/2COI-GBN_ligand.pdbqt | data/2C/2COI-GBN/2COI-GBN_target.pdbqt | data/2C/2COI-GBN/2COI-GBN_decoys.pdbqt | data/2C/2COI-GBN/2COI-GBN_decoy_scores.csv |
2CMF-F11 | data/2C/2CMF-F11/2CMF-F11_ligand.pdbqt | data/2C/2CMF-F11/2CMF-F11_target.pdbqt | data/2C/2CMF-F11/2CMF-F11_decoys.pdbqt | data/2C/2CMF-F11/2CMF-F11_decoy_scores.csv |
2C2W-5CD | data/2C/2C2W-5CD/2C2W-5CD_ligand.pdbqt | data/2C/2C2W-5CD/2C2W-5CD_target.pdbqt | data/2C/2C2W-5CD/2C2W-5CD_decoys.pdbqt | data/2C/2C2W-5CD/2C2W-5CD_decoy_scores.csv |
2C59-NAD | data/2C/2C59-NAD/2C59-NAD_ligand.pdbqt | data/2C/2C59-NAD/2C59-NAD_target.pdbqt | data/2C/2C59-NAD/2C59-NAD_decoys.pdbqt | data/2C/2C59-NAD/2C59-NAD_decoy_scores.csv |
2CMW-OLP | data/2C/2CMW-OLP/2CMW-OLP_ligand.pdbqt | data/2C/2CMW-OLP/2CMW-OLP_target.pdbqt | data/2C/2CMW-OLP/2CMW-OLP_decoys.pdbqt | data/2C/2CMW-OLP/2CMW-OLP_decoy_scores.csv |
2CXP-A5P | data/2C/2CXP-A5P/2CXP-A5P_ligand.pdbqt | data/2C/2CXP-A5P/2CXP-A5P_target.pdbqt | data/2C/2CXP-A5P/2CXP-A5P_decoys.pdbqt | data/2C/2CXP-A5P/2CXP-A5P_decoy_scores.csv |
2C6D-ANP | data/2C/2C6D-ANP/2C6D-ANP_ligand.pdbqt | data/2C/2C6D-ANP/2C6D-ANP_target.pdbqt | data/2C/2C6D-ANP/2C6D-ANP_decoys.pdbqt | data/2C/2C6D-ANP/2C6D-ANP_decoy_scores.csv |
2CBV-CGB | data/2C/2CBV-CGB/2CBV-CGB_ligand.pdbqt | data/2C/2CBV-CGB/2CBV-CGB_target.pdbqt | data/2C/2CBV-CGB/2CBV-CGB_decoys.pdbqt | data/2C/2CBV-CGB/2CBV-CGB_decoy_scores.csv |
2CCB-RBF | data/2C/2CCB-RBF/2CCB-RBF_ligand.pdbqt | data/2C/2CCB-RBF/2CCB-RBF_target.pdbqt | data/2C/2CCB-RBF/2CCB-RBF_decoys.pdbqt | data/2C/2CCB-RBF/2CCB-RBF_decoy_scores.csv |
2C54-GKE | data/2C/2C54-GKE/2C54-GKE_ligand.pdbqt | data/2C/2C54-GKE/2C54-GKE_target.pdbqt | data/2C/2C54-GKE/2C54-GKE_decoys.pdbqt | data/2C/2C54-GKE/2C54-GKE_decoy_scores.csv |
2CIB-CM6 | data/2C/2CIB-CM6/2CIB-CM6_ligand.pdbqt | data/2C/2CIB-CM6/2CIB-CM6_target.pdbqt | data/2C/2CIB-CM6/2CIB-CM6_decoys.pdbqt | data/2C/2CIB-CM6/2CIB-CM6_decoy_scores.csv |
2CUZ-GLU | data/2C/2CUZ-GLU/2CUZ-GLU_ligand.pdbqt | data/2C/2CUZ-GLU/2CUZ-GLU_target.pdbqt | data/2C/2CUZ-GLU/2CUZ-GLU_decoys.pdbqt | data/2C/2CUZ-GLU/2CUZ-GLU_decoy_scores.csv |
2C6K-DT2 | data/2C/2C6K-DT2/2C6K-DT2_ligand.pdbqt | data/2C/2C6K-DT2/2C6K-DT2_target.pdbqt | data/2C/2C6K-DT2/2C6K-DT2_decoys.pdbqt | data/2C/2C6K-DT2/2C6K-DT2_decoy_scores.csv |
2C6Q-IMP | data/2C/2C6Q-IMP/2C6Q-IMP_ligand.pdbqt | data/2C/2C6Q-IMP/2C6Q-IMP_target.pdbqt | data/2C/2C6Q-IMP/2C6Q-IMP_decoys.pdbqt | data/2C/2C6Q-IMP/2C6Q-IMP_decoy_scores.csv |
2CLO-F19 | data/2C/2CLO-F19/2CLO-F19_ligand.pdbqt | data/2C/2CLO-F19/2CLO-F19_target.pdbqt | data/2C/2CLO-F19/2CLO-F19_decoys.pdbqt | data/2C/2CLO-F19/2CLO-F19_decoy_scores.csv |
2C40-RIB | data/2C/2C40-RIB/2C40-RIB_ligand.pdbqt | data/2C/2C40-RIB/2C40-RIB_target.pdbqt | data/2C/2C40-RIB/2C40-RIB_decoys.pdbqt | data/2C/2C40-RIB/2C40-RIB_decoy_scores.csv |
2C1S-BSO | data/2C/2C1S-BSO/2C1S-BSO_ligand.pdbqt | data/2C/2C1S-BSO/2C1S-BSO_target.pdbqt | data/2C/2C1S-BSO/2C1S-BSO_decoys.pdbqt | data/2C/2C1S-BSO/2C1S-BSO_decoy_scores.csv |
2C5N-CK8 | data/2C/2C5N-CK8/2C5N-CK8_ligand.pdbqt | data/2C/2C5N-CK8/2C5N-CK8_target.pdbqt | data/2C/2C5N-CK8/2C5N-CK8_decoys.pdbqt | data/2C/2C5N-CK8/2C5N-CK8_decoy_scores.csv |
2CHL-DKI | data/2C/2CHL-DKI/2CHL-DKI_ligand.pdbqt | data/2C/2CHL-DKI/2CHL-DKI_target.pdbqt | data/2C/2CHL-DKI/2CHL-DKI_decoys.pdbqt | data/2C/2CHL-DKI/2CHL-DKI_decoy_scores.csv |
2CER-PGI | data/2C/2CER-PGI/2CER-PGI_ligand.pdbqt | data/2C/2CER-PGI/2CER-PGI_target.pdbqt | data/2C/2CER-PGI/2CER-PGI_decoys.pdbqt | data/2C/2CER-PGI/2CER-PGI_decoy_scores.csv |
2CBJ-OAN | data/2C/2CBJ-OAN/2CBJ-OAN_ligand.pdbqt | data/2C/2CBJ-OAN/2CBJ-OAN_target.pdbqt | data/2C/2CBJ-OAN/2CBJ-OAN_decoys.pdbqt | data/2C/2CBJ-OAN/2CBJ-OAN_decoy_scores.csv |
2CDN-ADP | data/2C/2CDN-ADP/2CDN-ADP_ligand.pdbqt | data/2C/2CDN-ADP/2CDN-ADP_target.pdbqt | data/2C/2CDN-ADP/2CDN-ADP_decoys.pdbqt | data/2C/2CDN-ADP/2CDN-ADP_decoy_scores.csv |
2CBX-CC5 | data/2C/2CBX-CC5/2CBX-CC5_ligand.pdbqt | data/2C/2CBX-CC5/2CBX-CC5_target.pdbqt | data/2C/2CBX-CC5/2CBX-CC5_decoys.pdbqt | data/2C/2CBX-CC5/2CBX-CC5_decoy_scores.csv |
2C9Z-UDP | data/2C/2C9Z-UDP/2C9Z-UDP_ligand.pdbqt | data/2C/2C9Z-UDP/2C9Z-UDP_target.pdbqt | data/2C/2C9Z-UDP/2C9Z-UDP_decoys.pdbqt | data/2C/2C9Z-UDP/2C9Z-UDP_decoy_scores.csv |
2CQT-BGC | data/2C/2CQT-BGC/2CQT-BGC_ligand.pdbqt | data/2C/2CQT-BGC/2CQT-BGC_target.pdbqt | data/2C/2CQT-BGC/2CQT-BGC_decoys.pdbqt | data/2C/2CQT-BGC/2CQT-BGC_decoy_scores.csv |
2C2H-GDP | data/2C/2C2H-GDP/2C2H-GDP_ligand.pdbqt | data/2C/2C2H-GDP/2C2H-GDP_target.pdbqt | data/2C/2C2H-GDP/2C2H-GDP_decoys.pdbqt | data/2C/2C2H-GDP/2C2H-GDP_decoy_scores.csv |
2CZC-NAD | data/2C/2CZC-NAD/2CZC-NAD_ligand.pdbqt | data/2C/2CZC-NAD/2CZC-NAD_target.pdbqt | data/2C/2CZC-NAD/2CZC-NAD_decoys.pdbqt | data/2C/2CZC-NAD/2CZC-NAD_decoy_scores.csv |
2CI0-1CM | data/2C/2CI0-1CM/2CI0-1CM_ligand.pdbqt | data/2C/2CI0-1CM/2CI0-1CM_target.pdbqt | data/2C/2CI0-1CM/2CI0-1CM_decoys.pdbqt | data/2C/2CI0-1CM/2CI0-1CM_decoy_scores.csv |
2CHX-090 | data/2C/2CHX-090/2CHX-090_ligand.pdbqt | data/2C/2CHX-090/2CHX-090_target.pdbqt | data/2C/2CHX-090/2CHX-090_decoys.pdbqt | data/2C/2CHX-090/2CHX-090_decoy_scores.csv |
2CM4-RCL | data/2C/2CM4-RCL/2CM4-RCL_ligand.pdbqt | data/2C/2CM4-RCL/2CM4-RCL_target.pdbqt | data/2C/2CM4-RCL/2CM4-RCL_decoys.pdbqt | data/2C/2CM4-RCL/2CM4-RCL_decoy_scores.csv |
2CIC-DUP | data/2C/2CIC-DUP/2CIC-DUP_ligand.pdbqt | data/2C/2CIC-DUP/2CIC-DUP_target.pdbqt | data/2C/2CIC-DUP/2CIC-DUP_decoys.pdbqt | data/2C/2CIC-DUP/2CIC-DUP_decoy_scores.csv |
2C5A-BTB | data/2C/2C5A-BTB/2C5A-BTB_ligand.pdbqt | data/2C/2C5A-BTB/2C5A-BTB_target.pdbqt | data/2C/2C5A-BTB/2C5A-BTB_decoys.pdbqt | data/2C/2C5A-BTB/2C5A-BTB_decoy_scores.csv |
2CF8-ESH | data/2C/2CF8-ESH/2CF8-ESH_ligand.pdbqt | data/2C/2CF8-ESH/2CF8-ESH_target.pdbqt | data/2C/2CF8-ESH/2CF8-ESH_decoys.pdbqt | data/2C/2CF8-ESH/2CF8-ESH_decoy_scores.csv |
2C6I-DT1 | data/2C/2C6I-DT1/2C6I-DT1_ligand.pdbqt | data/2C/2C6I-DT1/2C6I-DT1_target.pdbqt | data/2C/2C6I-DT1/2C6I-DT1_decoys.pdbqt | data/2C/2C6I-DT1/2C6I-DT1_decoy_scores.csv |
2CGL-LFR | data/2C/2CGL-LFR/2CGL-LFR_ligand.pdbqt | data/2C/2CGL-LFR/2CGL-LFR_target.pdbqt | data/2C/2CGL-LFR/2CGL-LFR_decoys.pdbqt | data/2C/2CGL-LFR/2CGL-LFR_decoy_scores.csv |
2C59-GDD | data/2C/2C59-GDD/2C59-GDD_ligand.pdbqt | data/2C/2C59-GDD/2C59-GDD_target.pdbqt | data/2C/2C59-GDD/2C59-GDD_decoys.pdbqt | data/2C/2C59-GDD/2C59-GDD_decoy_scores.csv |
2C5Y-MTW | data/2C/2C5Y-MTW/2C5Y-MTW_ligand.pdbqt | data/2C/2C5Y-MTW/2C5Y-MTW_target.pdbqt | data/2C/2C5Y-MTW/2C5Y-MTW_decoys.pdbqt | data/2C/2C5Y-MTW/2C5Y-MTW_decoy_scores.csv |
2CL0-GNP | data/2C/2CL0-GNP/2CL0-GNP_ligand.pdbqt | data/2C/2CL0-GNP/2CL0-GNP_target.pdbqt | data/2C/2CL0-GNP/2CL0-GNP_decoys.pdbqt | data/2C/2CL0-GNP/2CL0-GNP_decoy_scores.csv |
2C0Q-P6G | data/2C/2C0Q-P6G/2C0Q-P6G_ligand.pdbqt | data/2C/2C0Q-P6G/2C0Q-P6G_target.pdbqt | data/2C/2C0Q-P6G/2C0Q-P6G_decoys.pdbqt | data/2C/2C0Q-P6G/2C0Q-P6G_decoy_scores.csv |
2C58-AT3 | data/2C/2C58-AT3/2C58-AT3_ligand.pdbqt | data/2C/2C58-AT3/2C58-AT3_target.pdbqt | data/2C/2C58-AT3/2C58-AT3_decoys.pdbqt | data/2C/2C58-AT3/2C58-AT3_decoy_scores.csv |
2CFI-ZZZ | data/2C/2CFI-ZZZ/2CFI-ZZZ_ligand.pdbqt | data/2C/2CFI-ZZZ/2CFI-ZZZ_target.pdbqt | data/2C/2CFI-ZZZ/2CFI-ZZZ_decoys.pdbqt | data/2C/2CFI-ZZZ/2CFI-ZZZ_decoy_scores.csv |
2CCJ-TMP | data/2C/2CCJ-TMP/2CCJ-TMP_ligand.pdbqt | data/2C/2CCJ-TMP/2CCJ-TMP_target.pdbqt | data/2C/2CCJ-TMP/2CCJ-TMP_decoys.pdbqt | data/2C/2CCJ-TMP/2CCJ-TMP_decoy_scores.csv |
2C49-ANP | data/2C/2C49-ANP/2C49-ANP_ligand.pdbqt | data/2C/2C49-ANP/2C49-ANP_target.pdbqt | data/2C/2C49-ANP/2C49-ANP_decoys.pdbqt | data/2C/2C49-ANP/2C49-ANP_decoy_scores.csv |
2C3L-IDZ | data/2C/2C3L-IDZ/2C3L-IDZ_ligand.pdbqt | data/2C/2C3L-IDZ/2C3L-IDZ_target.pdbqt | data/2C/2C3L-IDZ/2C3L-IDZ_decoys.pdbqt | data/2C/2C3L-IDZ/2C3L-IDZ_decoy_scores.csv |
2C6M-DT5 | data/2C/2C6M-DT5/2C6M-DT5_ligand.pdbqt | data/2C/2C6M-DT5/2C6M-DT5_target.pdbqt | data/2C/2C6M-DT5/2C6M-DT5_decoys.pdbqt | data/2C/2C6M-DT5/2C6M-DT5_decoy_scores.csv |
2CNW-5GP | data/2C/2CNW-5GP/2CNW-5GP_ligand.pdbqt | data/2C/2CNW-5GP/2CNW-5GP_target.pdbqt | null | null |
2C4H-AT3 | data/2C/2C4H-AT3/2C4H-AT3_ligand.pdbqt | data/2C/2C4H-AT3/2C4H-AT3_target.pdbqt | data/2C/2C4H-AT3/2C4H-AT3_decoys.pdbqt | data/2C/2C4H-AT3/2C4H-AT3_decoy_scores.csv |
2CFM-AMP | data/2C/2CFM-AMP/2CFM-AMP_ligand.pdbqt | data/2C/2CFM-AMP/2CFM-AMP_target.pdbqt | data/2C/2CFM-AMP/2CFM-AMP_decoys.pdbqt | data/2C/2CFM-AMP/2CFM-AMP_decoy_scores.csv |
2C1Z-KMP | data/2C/2C1Z-KMP/2C1Z-KMP_ligand.pdbqt | data/2C/2C1Z-KMP/2C1Z-KMP_target.pdbqt | data/2C/2C1Z-KMP/2C1Z-KMP_decoys.pdbqt | data/2C/2C1Z-KMP/2C1Z-KMP_decoy_scores.csv |
2C59-BTB | data/2C/2C59-BTB/2C59-BTB_ligand.pdbqt | data/2C/2C59-BTB/2C59-BTB_target.pdbqt | data/2C/2C59-BTB/2C59-BTB_decoys.pdbqt | data/2C/2C59-BTB/2C59-BTB_decoy_scores.csv |
2CLQ-STU | data/2C/2CLQ-STU/2CLQ-STU_ligand.pdbqt | data/2C/2CLQ-STU/2CLQ-STU_target.pdbqt | data/2C/2CLQ-STU/2CLQ-STU_decoys.pdbqt | data/2C/2CLQ-STU/2CLQ-STU_decoy_scores.csv |
2CLM-F6F | data/2C/2CLM-F6F/2CLM-F6F_ligand.pdbqt | data/2C/2CLM-F6F/2CLM-F6F_target.pdbqt | data/2C/2CLM-F6F/2CLM-F6F_decoys.pdbqt | data/2C/2CLM-F6F/2CLM-F6F_decoy_scores.csv |
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