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 ⌀ |
|---|---|---|---|---|
3CM2-X23 | data/3C/3CM2-X23/3CM2-X23_ligand.pdbqt | data/3C/3CM2-X23/3CM2-X23_target.pdbqt | data/3C/3CM2-X23/3CM2-X23_decoys.pdbqt | data/3C/3CM2-X23/3CM2-X23_decoy_scores.csv |
3C84-TH4 | data/3C/3C84-TH4/3C84-TH4_ligand.pdbqt | data/3C/3C84-TH4/3C84-TH4_target.pdbqt | data/3C/3C84-TH4/3C84-TH4_decoys.pdbqt | data/3C/3C84-TH4/3C84-TH4_decoy_scores.csv |
3CEM-NBG | data/3C/3CEM-NBG/3CEM-NBG_ligand.pdbqt | data/3C/3CEM-NBG/3CEM-NBG_target.pdbqt | data/3C/3CEM-NBG/3CEM-NBG_decoys.pdbqt | data/3C/3CEM-NBG/3CEM-NBG_decoy_scores.csv |
3C7D-NAD | data/3C/3C7D-NAD/3C7D-NAD_ligand.pdbqt | data/3C/3C7D-NAD/3C7D-NAD_target.pdbqt | data/3C/3C7D-NAD/3C7D-NAD_decoys.pdbqt | data/3C/3C7D-NAD/3C7D-NAD_decoy_scores.csv |
3CXI-VIT | data/3C/3CXI-VIT/3CXI-VIT_ligand.pdbqt | data/3C/3CXI-VIT/3CXI-VIT_target.pdbqt | data/3C/3CXI-VIT/3CXI-VIT_decoys.pdbqt | data/3C/3CXI-VIT/3CXI-VIT_decoy_scores.csv |
3C1M-ANP | data/3C/3C1M-ANP/3C1M-ANP_ligand.pdbqt | data/3C/3C1M-ANP/3C1M-ANP_target.pdbqt | data/3C/3C1M-ANP/3C1M-ANP_decoys.pdbqt | data/3C/3C1M-ANP/3C1M-ANP_decoy_scores.csv |
3C8F-MT2 | data/3C/3C8F-MT2/3C8F-MT2_ligand.pdbqt | data/3C/3C8F-MT2/3C8F-MT2_target.pdbqt | data/3C/3C8F-MT2/3C8F-MT2_decoys.pdbqt | data/3C/3C8F-MT2/3C8F-MT2_decoy_scores.csv |
3C0A-UMP | data/3C/3C0A-UMP/3C0A-UMP_ligand.pdbqt | data/3C/3C0A-UMP/3C0A-UMP_target.pdbqt | data/3C/3C0A-UMP/3C0A-UMP_decoys.pdbqt | data/3C/3C0A-UMP/3C0A-UMP_decoy_scores.csv |
3CZ0-9OD | data/3C/3CZ0-9OD/3CZ0-9OD_ligand.pdbqt | data/3C/3CZ0-9OD/3CZ0-9OD_target.pdbqt | data/3C/3CZ0-9OD/3CZ0-9OD_decoys.pdbqt | data/3C/3CZ0-9OD/3CZ0-9OD_decoy_scores.csv |
3CLY-ACP | data/3C/3CLY-ACP/3CLY-ACP_ligand.pdbqt | data/3C/3CLY-ACP/3CLY-ACP_target.pdbqt | data/3C/3CLY-ACP/3CLY-ACP_decoys.pdbqt | data/3C/3CLY-ACP/3CLY-ACP_decoy_scores.csv |
3CAY-LMT | data/3C/3CAY-LMT/3CAY-LMT_ligand.pdbqt | data/3C/3CAY-LMT/3CAY-LMT_target.pdbqt | data/3C/3CAY-LMT/3CAY-LMT_decoys.pdbqt | data/3C/3CAY-LMT/3CAY-LMT_decoy_scores.csv |
3COP-GLC | data/3C/3COP-GLC/3COP-GLC_ligand.pdbqt | data/3C/3COP-GLC/3COP-GLC_target.pdbqt | data/3C/3COP-GLC/3COP-GLC_decoys.pdbqt | data/3C/3COP-GLC/3COP-GLC_decoy_scores.csv |
3CI1-ATP | data/3C/3CI1-ATP/3CI1-ATP_ligand.pdbqt | data/3C/3CI1-ATP/3CI1-ATP_target.pdbqt | data/3C/3CI1-ATP/3CI1-ATP_decoys.pdbqt | data/3C/3CI1-ATP/3CI1-ATP_decoy_scores.csv |
3C39-3PG | data/3C/3C39-3PG/3C39-3PG_ligand.pdbqt | data/3C/3C39-3PG/3C39-3PG_target.pdbqt | data/3C/3C39-3PG/3C39-3PG_decoys.pdbqt | data/3C/3C39-3PG/3C39-3PG_decoy_scores.csv |
3CR4-PNT | data/3C/3CR4-PNT/3CR4-PNT_ligand.pdbqt | data/3C/3CR4-PNT/3CR4-PNT_target.pdbqt | data/3C/3CR4-PNT/3CR4-PNT_decoys.pdbqt | data/3C/3CR4-PNT/3CR4-PNT_decoy_scores.csv |
3C5N-I3P | data/3C/3C5N-I3P/3C5N-I3P_ligand.pdbqt | data/3C/3C5N-I3P/3C5N-I3P_target.pdbqt | data/3C/3C5N-I3P/3C5N-I3P_decoys.pdbqt | data/3C/3C5N-I3P/3C5N-I3P_decoy_scores.csv |
3CUW-445 | data/3C/3CUW-445/3CUW-445_ligand.pdbqt | data/3C/3CUW-445/3CUW-445_target.pdbqt | data/3C/3CUW-445/3CUW-445_decoys.pdbqt | data/3C/3CUW-445/3CUW-445_decoy_scores.csv |
3CYX-ROC | data/3C/3CYX-ROC/3CYX-ROC_ligand.pdbqt | data/3C/3CYX-ROC/3CYX-ROC_target.pdbqt | data/3C/3CYX-ROC/3CYX-ROC_decoys.pdbqt | data/3C/3CYX-ROC/3CYX-ROC_decoy_scores.csv |
3CKL-A3P | data/3C/3CKL-A3P/3CKL-A3P_ligand.pdbqt | data/3C/3CKL-A3P/3CKL-A3P_target.pdbqt | data/3C/3CKL-A3P/3CKL-A3P_decoys.pdbqt | data/3C/3CKL-A3P/3CKL-A3P_decoy_scores.csv |
3CR3-ADP | data/3C/3CR3-ADP/3CR3-ADP_ligand.pdbqt | data/3C/3CR3-ADP/3CR3-ADP_target.pdbqt | data/3C/3CR3-ADP/3CR3-ADP_decoys.pdbqt | data/3C/3CR3-ADP/3CR3-ADP_decoy_scores.csv |
3CWK-REA | data/3C/3CWK-REA/3CWK-REA_ligand.pdbqt | data/3C/3CWK-REA/3CWK-REA_target.pdbqt | data/3C/3CWK-REA/3CWK-REA_decoys.pdbqt | data/3C/3CWK-REA/3CWK-REA_decoy_scores.csv |
3CL1-PCG | data/3C/3CL1-PCG/3CL1-PCG_ligand.pdbqt | data/3C/3CL1-PCG/3CL1-PCG_target.pdbqt | data/3C/3CL1-PCG/3CL1-PCG_decoys.pdbqt | data/3C/3CL1-PCG/3CL1-PCG_decoy_scores.csv |
3CNM-HHA | data/3C/3CNM-HHA/3CNM-HHA_ligand.pdbqt | data/3C/3CNM-HHA/3CNM-HHA_target.pdbqt | data/3C/3CNM-HHA/3CNM-HHA_decoys.pdbqt | data/3C/3CNM-HHA/3CNM-HHA_decoy_scores.csv |
3CHQ-4BQ | data/3C/3CHQ-4BQ/3CHQ-4BQ_ligand.pdbqt | data/3C/3CHQ-4BQ/3CHQ-4BQ_target.pdbqt | null | null |
3CW9-AMP | data/3C/3CW9-AMP/3CW9-AMP_ligand.pdbqt | data/3C/3CW9-AMP/3CW9-AMP_target.pdbqt | data/3C/3CW9-AMP/3CW9-AMP_decoys.pdbqt | data/3C/3CW9-AMP/3CW9-AMP_decoy_scores.csv |
3CH6-311 | data/3C/3CH6-311/3CH6-311_ligand.pdbqt | data/3C/3CH6-311/3CH6-311_target.pdbqt | data/3C/3CH6-311/3CH6-311_decoys.pdbqt | data/3C/3CH6-311/3CH6-311_decoy_scores.csv |
3CRV-FLC | data/3C/3CRV-FLC/3CRV-FLC_ligand.pdbqt | data/3C/3CRV-FLC/3CRV-FLC_target.pdbqt | data/3C/3CRV-FLC/3CRV-FLC_decoys.pdbqt | data/3C/3CRV-FLC/3CRV-FLC_decoy_scores.csv |
3CCN-LKG | data/3C/3CCN-LKG/3CCN-LKG_ligand.pdbqt | data/3C/3CCN-LKG/3CCN-LKG_target.pdbqt | data/3C/3CCN-LKG/3CCN-LKG_decoys.pdbqt | data/3C/3CCN-LKG/3CCN-LKG_decoy_scores.csv |
3CUF-9MR | data/3C/3CUF-9MR/3CUF-9MR_ligand.pdbqt | data/3C/3CUF-9MR/3CUF-9MR_target.pdbqt | data/3C/3CUF-9MR/3CUF-9MR_decoys.pdbqt | data/3C/3CUF-9MR/3CUF-9MR_decoy_scores.csv |
3CTH-319 | data/3C/3CTH-319/3CTH-319_ligand.pdbqt | data/3C/3CTH-319/3CTH-319_target.pdbqt | data/3C/3CTH-319/3CTH-319_decoys.pdbqt | data/3C/3CTH-319/3CTH-319_decoy_scores.csv |
3CFB-SPB | data/3C/3CFB-SPB/3CFB-SPB_ligand.pdbqt | data/3C/3CFB-SPB/3CFB-SPB_target.pdbqt | data/3C/3CFB-SPB/3CFB-SPB_decoys.pdbqt | data/3C/3CFB-SPB/3CFB-SPB_decoy_scores.csv |
3COB-ADP | data/3C/3COB-ADP/3COB-ADP_ligand.pdbqt | data/3C/3COB-ADP/3COB-ADP_target.pdbqt | data/3C/3COB-ADP/3COB-ADP_decoys.pdbqt | data/3C/3COB-ADP/3COB-ADP_decoy_scores.csv |
3CNN-GTP | data/3C/3CNN-GTP/3CNN-GTP_ligand.pdbqt | data/3C/3CNN-GTP/3CNN-GTP_target.pdbqt | data/3C/3CNN-GTP/3CNN-GTP_decoys.pdbqt | data/3C/3CNN-GTP/3CNN-GTP_decoy_scores.csv |
3CB0-FMN | data/3C/3CB0-FMN/3CB0-FMN_ligand.pdbqt | data/3C/3CB0-FMN/3CB0-FMN_target.pdbqt | data/3C/3CB0-FMN/3CB0-FMN_decoys.pdbqt | data/3C/3CB0-FMN/3CB0-FMN_decoy_scores.csv |
3CAG-ARG | data/3C/3CAG-ARG/3CAG-ARG_ligand.pdbqt | data/3C/3CAG-ARG/3CAG-ARG_target.pdbqt | data/3C/3CAG-ARG/3CAG-ARG_decoys.pdbqt | data/3C/3CAG-ARG/3CAG-ARG_decoy_scores.csv |
3CV3-UDP | data/3C/3CV3-UDP/3CV3-UDP_ligand.pdbqt | data/3C/3CV3-UDP/3CV3-UDP_target.pdbqt | data/3C/3CV3-UDP/3CV3-UDP_decoys.pdbqt | data/3C/3CV3-UDP/3CV3-UDP_decoy_scores.csv |
3CSH-LZ6 | data/3C/3CSH-LZ6/3CSH-LZ6_ligand.pdbqt | data/3C/3CSH-LZ6/3CSH-LZ6_target.pdbqt | data/3C/3CSH-LZ6/3CSH-LZ6_decoys.pdbqt | data/3C/3CSH-LZ6/3CSH-LZ6_decoy_scores.csv |
3CYL-PE4 | data/3C/3CYL-PE4/3CYL-PE4_ligand.pdbqt | data/3C/3CYL-PE4/3CYL-PE4_target.pdbqt | data/3C/3CYL-PE4/3CYL-PE4_decoys.pdbqt | data/3C/3CYL-PE4/3CYL-PE4_decoy_scores.csv |
3C2V-PRP | data/3C/3C2V-PRP/3C2V-PRP_ligand.pdbqt | data/3C/3C2V-PRP/3C2V-PRP_target.pdbqt | data/3C/3C2V-PRP/3C2V-PRP_decoys.pdbqt | data/3C/3C2V-PRP/3C2V-PRP_decoy_scores.csv |
3CR6-LSR | data/3C/3CR6-LSR/3CR6-LSR_ligand.pdbqt | data/3C/3CR6-LSR/3CR6-LSR_target.pdbqt | data/3C/3CR6-LSR/3CR6-LSR_decoys.pdbqt | data/3C/3CR6-LSR/3CR6-LSR_decoy_scores.csv |
3CR5-PNT | data/3C/3CR5-PNT/3CR5-PNT_ligand.pdbqt | data/3C/3CR5-PNT/3CR5-PNT_target.pdbqt | data/3C/3CR5-PNT/3CR5-PNT_decoys.pdbqt | data/3C/3CR5-PNT/3CR5-PNT_decoy_scores.csv |
3CV9-VDX | data/3C/3CV9-VDX/3CV9-VDX_ligand.pdbqt | data/3C/3CV9-VDX/3CV9-VDX_target.pdbqt | data/3C/3CV9-VDX/3CV9-VDX_decoys.pdbqt | data/3C/3CV9-VDX/3CV9-VDX_decoy_scores.csv |
3C9W-HMY | data/3C/3C9W-HMY/3C9W-HMY_ligand.pdbqt | data/3C/3C9W-HMY/3C9W-HMY_target.pdbqt | data/3C/3C9W-HMY/3C9W-HMY_decoys.pdbqt | data/3C/3C9W-HMY/3C9W-HMY_decoy_scores.csv |
3CMB-P33 | data/3C/3CMB-P33/3CMB-P33_ligand.pdbqt | data/3C/3CMB-P33/3CMB-P33_target.pdbqt | data/3C/3CMB-P33/3CMB-P33_decoys.pdbqt | data/3C/3CMB-P33/3CMB-P33_decoy_scores.csv |
3CLU-AMP | data/3C/3CLU-AMP/3CLU-AMP_ligand.pdbqt | data/3C/3CLU-AMP/3CLU-AMP_target.pdbqt | data/3C/3CLU-AMP/3CLU-AMP_decoys.pdbqt | data/3C/3CLU-AMP/3CLU-AMP_decoy_scores.csv |
3CDA-8HI | data/3C/3CDA-8HI/3CDA-8HI_ligand.pdbqt | data/3C/3CDA-8HI/3CDA-8HI_target.pdbqt | data/3C/3CDA-8HI/3CDA-8HI_decoys.pdbqt | data/3C/3CDA-8HI/3CDA-8HI_decoy_scores.csv |
3CFN-2AN | data/3C/3CFN-2AN/3CFN-2AN_ligand.pdbqt | data/3C/3CFN-2AN/3CFN-2AN_target.pdbqt | data/3C/3CFN-2AN/3CFN-2AN_decoys.pdbqt | data/3C/3CFN-2AN/3CFN-2AN_decoy_scores.csv |
3C3U-C2U | data/3C/3C3U-C2U/3C3U-C2U_ligand.pdbqt | data/3C/3C3U-C2U/3C3U-C2U_target.pdbqt | data/3C/3C3U-C2U/3C3U-C2U_decoys.pdbqt | data/3C/3C3U-C2U/3C3U-C2U_decoy_scores.csv |
3CS7-LG0 | data/3C/3CS7-LG0/3CS7-LG0_ligand.pdbqt | data/3C/3CS7-LG0/3CS7-LG0_target.pdbqt | data/3C/3CS7-LG0/3CS7-LG0_decoys.pdbqt | data/3C/3CS7-LG0/3CS7-LG0_decoy_scores.csv |
3CIW-CPS | data/3C/3CIW-CPS/3CIW-CPS_ligand.pdbqt | data/3C/3CIW-CPS/3CIW-CPS_target.pdbqt | data/3C/3CIW-CPS/3CIW-CPS_decoys.pdbqt | data/3C/3CIW-CPS/3CIW-CPS_decoy_scores.csv |
3CND-SP5 | data/3C/3CND-SP5/3CND-SP5_ligand.pdbqt | data/3C/3CND-SP5/3CND-SP5_target.pdbqt | data/3C/3CND-SP5/3CND-SP5_decoys.pdbqt | data/3C/3CND-SP5/3CND-SP5_decoy_scores.csv |
3CO4-GCS | data/3C/3CO4-GCS/3CO4-GCS_ligand.pdbqt | data/3C/3CO4-GCS/3CO4-GCS_target.pdbqt | data/3C/3CO4-GCS/3CO4-GCS_decoys.pdbqt | data/3C/3CO4-GCS/3CO4-GCS_decoy_scores.csv |
8TLN-LYS | data/8T/8TLN-LYS/8TLN-LYS_ligand.pdbqt | data/8T/8TLN-LYS/8TLN-LYS_target.pdbqt | data/8T/8TLN-LYS/8TLN-LYS_decoys.pdbqt | data/8T/8TLN-LYS/8TLN-LYS_decoy_scores.csv |
4NUC-435 | data/4N/4NUC-435/4NUC-435_ligand.pdbqt | data/4N/4NUC-435/4NUC-435_target.pdbqt | data/4N/4NUC-435/4NUC-435_decoys.pdbqt | data/4N/4NUC-435/4NUC-435_decoy_scores.csv |
4NES-UD1 | data/4N/4NES-UD1/4NES-UD1_ligand.pdbqt | data/4N/4NES-UD1/4NES-UD1_target.pdbqt | data/4N/4NES-UD1/4NES-UD1_decoys.pdbqt | data/4N/4NES-UD1/4NES-UD1_decoy_scores.csv |
4NHM-UN9 | data/4N/4NHM-UN9/4NHM-UN9_ligand.pdbqt | data/4N/4NHM-UN9/4NHM-UN9_target.pdbqt | data/4N/4NHM-UN9/4NHM-UN9_decoys.pdbqt | data/4N/4NHM-UN9/4NHM-UN9_decoy_scores.csv |
4NDA-NIY | data/4N/4NDA-NIY/4NDA-NIY_ligand.pdbqt | data/4N/4NDA-NIY/4NDA-NIY_target.pdbqt | data/4N/4NDA-NIY/4NDA-NIY_decoys.pdbqt | data/4N/4NDA-NIY/4NDA-NIY_decoy_scores.csv |
4NIE-DMX | data/4N/4NIE-DMX/4NIE-DMX_ligand.pdbqt | data/4N/4NIE-DMX/4NIE-DMX_target.pdbqt | data/4N/4NIE-DMX/4NIE-DMX_decoys.pdbqt | data/4N/4NIE-DMX/4NIE-DMX_decoy_scores.csv |
4NTX-AMR | data/4N/4NTX-AMR/4NTX-AMR_ligand.pdbqt | data/4N/4NTX-AMR/4NTX-AMR_target.pdbqt | data/4N/4NTX-AMR/4NTX-AMR_decoys.pdbqt | data/4N/4NTX-AMR/4NTX-AMR_decoy_scores.csv |
4NX4-JPR | data/4N/4NX4-JPR/4NX4-JPR_ligand.pdbqt | data/4N/4NX4-JPR/4NX4-JPR_target.pdbqt | data/4N/4NX4-JPR/4NX4-JPR_decoys.pdbqt | data/4N/4NX4-JPR/4NX4-JPR_decoy_scores.csv |
4NJK-2KA | data/4N/4NJK-2KA/4NJK-2KA_ligand.pdbqt | data/4N/4NJK-2KA/4NJK-2KA_target.pdbqt | data/4N/4NJK-2KA/4NJK-2KA_decoys.pdbqt | data/4N/4NJK-2KA/4NJK-2KA_decoy_scores.csv |
4NP5-THP | data/4N/4NP5-THP/4NP5-THP_ligand.pdbqt | data/4N/4NP5-THP/4NP5-THP_target.pdbqt | data/4N/4NP5-THP/4NP5-THP_decoys.pdbqt | data/4N/4NP5-THP/4NP5-THP_decoy_scores.csv |
4N0D-GSP | data/4N/4N0D-GSP/4N0D-GSP_ligand.pdbqt | data/4N/4N0D-GSP/4N0D-GSP_target.pdbqt | data/4N/4N0D-GSP/4N0D-GSP_decoys.pdbqt | data/4N/4N0D-GSP/4N0D-GSP_decoy_scores.csv |
4NZ5-NDG | data/4N/4NZ5-NDG/4NZ5-NDG_ligand.pdbqt | data/4N/4NZ5-NDG/4NZ5-NDG_target.pdbqt | data/4N/4NZ5-NDG/4NZ5-NDG_decoys.pdbqt | data/4N/4NZ5-NDG/4NZ5-NDG_decoy_scores.csv |
4NAO-P6G | data/4N/4NAO-P6G/4NAO-P6G_ligand.pdbqt | data/4N/4NAO-P6G/4NAO-P6G_target.pdbqt | data/4N/4NAO-P6G/4NAO-P6G_decoys.pdbqt | data/4N/4NAO-P6G/4NAO-P6G_decoy_scores.csv |
4NBI-D3Y | data/4N/4NBI-D3Y/4NBI-D3Y_ligand.pdbqt | data/4N/4NBI-D3Y/4NBI-D3Y_target.pdbqt | data/4N/4NBI-D3Y/4NBI-D3Y_decoys.pdbqt | data/4N/4NBI-D3Y/4NBI-D3Y_decoy_scores.csv |
4NX7-FOL | data/4N/4NX7-FOL/4NX7-FOL_ligand.pdbqt | data/4N/4NX7-FOL/4NX7-FOL_target.pdbqt | data/4N/4NX7-FOL/4NX7-FOL_decoys.pdbqt | data/4N/4NX7-FOL/4NX7-FOL_decoy_scores.csv |
4NZN-ANP | data/4N/4NZN-ANP/4NZN-ANP_ligand.pdbqt | data/4N/4NZN-ANP/4NZN-ANP_target.pdbqt | data/4N/4NZN-ANP/4NZN-ANP_decoys.pdbqt | data/4N/4NZN-ANP/4NZN-ANP_decoy_scores.csv |
4N3R-2GU | data/4N/4N3R-2GU/4N3R-2GU_ligand.pdbqt | data/4N/4N3R-2GU/4N3R-2GU_target.pdbqt | data/4N/4N3R-2GU/4N3R-2GU_decoys.pdbqt | data/4N/4N3R-2GU/4N3R-2GU_decoy_scores.csv |
4NR9-ALY | data/4N/4NR9-ALY/4NR9-ALY_ligand.pdbqt | data/4N/4NR9-ALY/4NR9-ALY_target.pdbqt | data/4N/4NR9-ALY/4NR9-ALY_decoys.pdbqt | data/4N/4NR9-ALY/4NR9-ALY_decoy_scores.csv |
4N70-2HX | data/4N/4N70-2HX/4N70-2HX_ligand.pdbqt | data/4N/4N70-2HX/4N70-2HX_target.pdbqt | data/4N/4N70-2HX/4N70-2HX_decoys.pdbqt | data/4N/4N70-2HX/4N70-2HX_decoy_scores.csv |
4NVL-2NZ | data/4N/4NVL-2NZ/4NVL-2NZ_ligand.pdbqt | data/4N/4NVL-2NZ/4NVL-2NZ_target.pdbqt | data/4N/4NVL-2NZ/4NVL-2NZ_decoys.pdbqt | data/4N/4NVL-2NZ/4NVL-2NZ_decoy_scores.csv |
4NR5-2LL | data/4N/4NR5-2LL/4NR5-2LL_ligand.pdbqt | data/4N/4NR5-2LL/4NR5-2LL_target.pdbqt | data/4N/4NR5-2LL/4NR5-2LL_decoys.pdbqt | data/4N/4NR5-2LL/4NR5-2LL_decoy_scores.csv |
4N9Q-UQ1 | data/4N/4N9Q-UQ1/4N9Q-UQ1_ligand.pdbqt | data/4N/4N9Q-UQ1/4N9Q-UQ1_target.pdbqt | data/4N/4N9Q-UQ1/4N9Q-UQ1_decoys.pdbqt | data/4N/4N9Q-UQ1/4N9Q-UQ1_decoy_scores.csv |
4NCY-BEN | data/4N/4NCY-BEN/4NCY-BEN_ligand.pdbqt | data/4N/4NCY-BEN/4NCY-BEN_target.pdbqt | data/4N/4NCY-BEN/4NCY-BEN_decoys.pdbqt | data/4N/4NCY-BEN/4NCY-BEN_decoy_scores.csv |
4N9Y-V3L | data/4N/4N9Y-V3L/4N9Y-V3L_ligand.pdbqt | data/4N/4N9Y-V3L/4N9Y-V3L_target.pdbqt | data/4N/4N9Y-V3L/4N9Y-V3L_decoys.pdbqt | data/4N/4N9Y-V3L/4N9Y-V3L_decoy_scores.csv |
4NAT-ADP | data/4N/4NAT-ADP/4NAT-ADP_ligand.pdbqt | data/4N/4NAT-ADP/4NAT-ADP_target.pdbqt | data/4N/4NAT-ADP/4NAT-ADP_decoys.pdbqt | data/4N/4NAT-ADP/4NAT-ADP_decoy_scores.csv |
4NL0-ADP | data/4N/4NL0-ADP/4NL0-ADP_ligand.pdbqt | data/4N/4NL0-ADP/4NL0-ADP_target.pdbqt | data/4N/4NL0-ADP/4NL0-ADP_decoys.pdbqt | data/4N/4NL0-ADP/4NL0-ADP_decoy_scores.csv |
4NVH-2NB | data/4N/4NVH-2NB/4NVH-2NB_ligand.pdbqt | data/4N/4NVH-2NB/4NVH-2NB_target.pdbqt | data/4N/4NVH-2NB/4NVH-2NB_decoys.pdbqt | data/4N/4NVH-2NB/4NVH-2NB_decoy_scores.csv |
4NKF-210 | data/4N/4NKF-210/4NKF-210_ligand.pdbqt | data/4N/4NKF-210/4NKF-210_target.pdbqt | data/4N/4NKF-210/4NKF-210_decoys.pdbqt | data/4N/4NKF-210/4NKF-210_decoy_scores.csv |
4NQG-CZH | data/4N/4NQG-CZH/4NQG-CZH_ligand.pdbqt | data/4N/4NQG-CZH/4NQG-CZH_target.pdbqt | data/4N/4NQG-CZH/4NQG-CZH_decoys.pdbqt | data/4N/4NQG-CZH/4NQG-CZH_decoy_scores.csv |
4ND2-A3D | data/4N/4ND2-A3D/4ND2-A3D_ligand.pdbqt | data/4N/4ND2-A3D/4ND2-A3D_target.pdbqt | data/4N/4ND2-A3D/4ND2-A3D_decoys.pdbqt | data/4N/4ND2-A3D/4ND2-A3D_decoy_scores.csv |
4N9L-DWZ | data/4N/4N9L-DWZ/4N9L-DWZ_ligand.pdbqt | data/4N/4N9L-DWZ/4N9L-DWZ_target.pdbqt | data/4N/4N9L-DWZ/4N9L-DWZ_decoys.pdbqt | data/4N/4N9L-DWZ/4N9L-DWZ_decoy_scores.csv |
4N9Z-V3L | data/4N/4N9Z-V3L/4N9Z-V3L_ligand.pdbqt | data/4N/4N9Z-V3L/4N9Z-V3L_target.pdbqt | data/4N/4N9Z-V3L/4N9Z-V3L_decoys.pdbqt | data/4N/4N9Z-V3L/4N9Z-V3L_decoy_scores.csv |
4NPI-2VS | data/4N/4NPI-2VS/4NPI-2VS_ligand.pdbqt | data/4N/4NPI-2VS/4NPI-2VS_target.pdbqt | data/4N/4NPI-2VS/4NPI-2VS_decoys.pdbqt | data/4N/4NPI-2VS/4NPI-2VS_decoy_scores.csv |
4NEA-NAD | data/4N/4NEA-NAD/4NEA-NAD_ligand.pdbqt | data/4N/4NEA-NAD/4NEA-NAD_target.pdbqt | data/4N/4NEA-NAD/4NEA-NAD_decoys.pdbqt | data/4N/4NEA-NAD/4NEA-NAD_decoy_scores.csv |
4NKS-2M2 | data/4N/4NKS-2M2/4NKS-2M2_ligand.pdbqt | data/4N/4NKS-2M2/4NKS-2M2_target.pdbqt | data/4N/4NKS-2M2/4NKS-2M2_decoys.pdbqt | data/4N/4NKS-2M2/4NKS-2M2_decoy_scores.csv |
4NFF-0G6 | data/4N/4NFF-0G6/4NFF-0G6_ligand.pdbqt | data/4N/4NFF-0G6/4NFF-0G6_target.pdbqt | data/4N/4NFF-0G6/4NFF-0G6_decoys.pdbqt | data/4N/4NFF-0G6/4NFF-0G6_decoy_scores.csv |
4N5V-PRP | data/4N/4N5V-PRP/4N5V-PRP_ligand.pdbqt | data/4N/4N5V-PRP/4N5V-PRP_target.pdbqt | data/4N/4N5V-PRP/4N5V-PRP_decoys.pdbqt | data/4N/4N5V-PRP/4N5V-PRP_decoy_scores.csv |
4NF6-2JL | data/4N/4NF6-2JL/4NF6-2JL_ligand.pdbqt | data/4N/4NF6-2JL/4NF6-2JL_target.pdbqt | data/4N/4NF6-2JL/4NF6-2JL_decoys.pdbqt | data/4N/4NF6-2JL/4NF6-2JL_decoy_scores.csv |
4NBA-9CA | data/4N/4NBA-9CA/4NBA-9CA_ligand.pdbqt | data/4N/4NBA-9CA/4NBA-9CA_target.pdbqt | data/4N/4NBA-9CA/4NBA-9CA_decoys.pdbqt | data/4N/4NBA-9CA/4NBA-9CA_decoy_scores.csv |
4NPI-NAD | data/4N/4NPI-NAD/4NPI-NAD_ligand.pdbqt | data/4N/4NPI-NAD/4NPI-NAD_target.pdbqt | data/4N/4NPI-NAD/4NPI-NAD_decoys.pdbqt | data/4N/4NPI-NAD/4NPI-NAD_decoy_scores.csv |
4N6K-X3X | data/4N/4N6K-X3X/4N6K-X3X_ligand.pdbqt | data/4N/4N6K-X3X/4N6K-X3X_target.pdbqt | data/4N/4N6K-X3X/4N6K-X3X_decoys.pdbqt | data/4N/4N6K-X3X/4N6K-X3X_decoy_scores.csv |
4N65-FMN | data/4N/4N65-FMN/4N65-FMN_ligand.pdbqt | data/4N/4N65-FMN/4N65-FMN_target.pdbqt | data/4N/4N65-FMN/4N65-FMN_decoys.pdbqt | data/4N/4N65-FMN/4N65-FMN_decoy_scores.csv |
4NIL-2O8 | data/4N/4NIL-2O8/4NIL-2O8_ligand.pdbqt | data/4N/4NIL-2O8/4NIL-2O8_target.pdbqt | data/4N/4NIL-2O8/4NIL-2O8_decoys.pdbqt | data/4N/4NIL-2O8/4NIL-2O8_decoy_scores.csv |
4NFH-PFB | data/4N/4NFH-PFB/4NFH-PFB_ligand.pdbqt | data/4N/4NFH-PFB/4NFH-PFB_target.pdbqt | data/4N/4NFH-PFB/4NFH-PFB_decoys.pdbqt | data/4N/4NFH-PFB/4NFH-PFB_decoy_scores.csv |
4N5D-2FQ | data/4N/4N5D-2FQ/4N5D-2FQ_ligand.pdbqt | data/4N/4N5D-2FQ/4N5D-2FQ_target.pdbqt | data/4N/4N5D-2FQ/4N5D-2FQ_decoys.pdbqt | data/4N/4N5D-2FQ/4N5D-2FQ_decoy_scores.csv |
4NBV-B3P | data/4N/4NBV-B3P/4NBV-B3P_ligand.pdbqt | data/4N/4NBV-B3P/4NBV-B3P_target.pdbqt | data/4N/4NBV-B3P/4NBV-B3P_decoys.pdbqt | data/4N/4NBV-B3P/4NBV-B3P_decoy_scores.csv |
4NR0-NAD | data/4N/4NR0-NAD/4NR0-NAD_ligand.pdbqt | data/4N/4NR0-NAD/4NR0-NAD_target.pdbqt | data/4N/4NR0-NAD/4NR0-NAD_decoys.pdbqt | data/4N/4NR0-NAD/4NR0-NAD_decoy_scores.csv |
4NV1-0FX | data/4N/4NV1-0FX/4NV1-0FX_ligand.pdbqt | data/4N/4NV1-0FX/4NV1-0FX_target.pdbqt | data/4N/4NV1-0FX/4NV1-0FX_decoys.pdbqt | data/4N/4NV1-0FX/4NV1-0FX_decoy_scores.csv |
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