Datasets:
jiangteam
/
DecoyDB

Dataset card Data Studio Files
xet
Community
1
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
⌀
7Q1F-FLC
data/7Q/7Q1F-FLC/7Q1F-FLC_ligand.pdbqt
data/7Q/7Q1F-FLC/7Q1F-FLC_target.pdbqt
data/7Q/7Q1F-FLC/7Q1F-FLC_decoys.pdbqt
data/7Q/7Q1F-FLC/7Q1F-FLC_decoy_scores.csv
7QYV-GJ4
data/7Q/7QYV-GJ4/7QYV-GJ4_ligand.pdbqt
data/7Q/7QYV-GJ4/7QYV-GJ4_target.pdbqt
data/7Q/7QYV-GJ4/7QYV-GJ4_decoys.pdbqt
data/7Q/7QYV-GJ4/7QYV-GJ4_decoy_scores.csv
7QMY-PG5
data/7Q/7QMY-PG5/7QMY-PG5_ligand.pdbqt
data/7Q/7QMY-PG5/7QMY-PG5_target.pdbqt
data/7Q/7QMY-PG5/7QMY-PG5_decoys.pdbqt
data/7Q/7QMY-PG5/7QMY-PG5_decoy_scores.csv
7QN1-PG5
data/7Q/7QN1-PG5/7QN1-PG5_ligand.pdbqt
data/7Q/7QN1-PG5/7QN1-PG5_target.pdbqt
data/7Q/7QN1-PG5/7QN1-PG5_decoys.pdbqt
data/7Q/7QN1-PG5/7QN1-PG5_decoy_scores.csv
7Q6R-DEB
data/7Q/7Q6R-DEB/7Q6R-DEB_ligand.pdbqt
data/7Q/7Q6R-DEB/7Q6R-DEB_target.pdbqt
data/7Q/7Q6R-DEB/7Q6R-DEB_decoys.pdbqt
data/7Q/7Q6R-DEB/7Q6R-DEB_decoy_scores.csv
7Q8T-9IY
data/7Q/7Q8T-9IY/7Q8T-9IY_ligand.pdbqt
data/7Q/7Q8T-9IY/7Q8T-9IY_target.pdbqt
data/7Q/7Q8T-9IY/7Q8T-9IY_decoys.pdbqt
data/7Q/7Q8T-9IY/7Q8T-9IY_decoy_scores.csv
7QT8-R8H
data/7Q/7QT8-R8H/7QT8-R8H_ligand.pdbqt
data/7Q/7QT8-R8H/7QT8-R8H_target.pdbqt
data/7Q/7QT8-R8H/7QT8-R8H_decoys.pdbqt
data/7Q/7QT8-R8H/7QT8-R8H_decoy_scores.csv
7QK0-EBL
data/7Q/7QK0-EBL/7QK0-EBL_ligand.pdbqt
data/7Q/7QK0-EBL/7QK0-EBL_target.pdbqt
data/7Q/7QK0-EBL/7QK0-EBL_decoys.pdbqt
data/7Q/7QK0-EBL/7QK0-EBL_decoy_scores.csv
7QUV-F3U
data/7Q/7QUV-F3U/7QUV-F3U_ligand.pdbqt
data/7Q/7QUV-F3U/7QUV-F3U_target.pdbqt
data/7Q/7QUV-F3U/7QUV-F3U_decoys.pdbqt
data/7Q/7QUV-F3U/7QUV-F3U_decoy_scores.csv
7QTY-F0R
data/7Q/7QTY-F0R/7QTY-F0R_ligand.pdbqt
data/7Q/7QTY-F0R/7QTY-F0R_target.pdbqt
data/7Q/7QTY-F0R/7QTY-F0R_decoys.pdbqt
data/7Q/7QTY-F0R/7QTY-F0R_decoy_scores.csv
7QWU-FWR
data/7Q/7QWU-FWR/7QWU-FWR_ligand.pdbqt
data/7Q/7QWU-FWR/7QWU-FWR_target.pdbqt
data/7Q/7QWU-FWR/7QWU-FWR_decoys.pdbqt
data/7Q/7QWU-FWR/7QWU-FWR_decoy_scores.csv
7QGW-RN2
data/7Q/7QGW-RN2/7QGW-RN2_ligand.pdbqt
data/7Q/7QGW-RN2/7QGW-RN2_target.pdbqt
data/7Q/7QGW-RN2/7QGW-RN2_decoys.pdbqt
data/7Q/7QGW-RN2/7QGW-RN2_decoy_scores.csv
7Q7I-9I8
data/7Q/7Q7I-9I8/7Q7I-9I8_ligand.pdbqt
data/7Q/7Q7I-9I8/7Q7I-9I8_target.pdbqt
data/7Q/7Q7I-9I8/7Q7I-9I8_decoys.pdbqt
data/7Q/7Q7I-9I8/7Q7I-9I8_decoy_scores.csv
7QL7-E3J
data/7Q/7QL7-E3J/7QL7-E3J_ligand.pdbqt
data/7Q/7QL7-E3J/7QL7-E3J_target.pdbqt
data/7Q/7QL7-E3J/7QL7-E3J_decoys.pdbqt
data/7Q/7QL7-E3J/7QL7-E3J_decoy_scores.csv
7QGP-DJ8
data/7Q/7QGP-DJ8/7QGP-DJ8_ligand.pdbqt
data/7Q/7QGP-DJ8/7QGP-DJ8_target.pdbqt
data/7Q/7QGP-DJ8/7QGP-DJ8_decoys.pdbqt
data/7Q/7QGP-DJ8/7QGP-DJ8_decoy_scores.csv
7QM4-U1H
data/7Q/7QM4-U1H/7QM4-U1H_ligand.pdbqt
data/7Q/7QM4-U1H/7QM4-U1H_target.pdbqt
data/7Q/7QM4-U1H/7QM4-U1H_decoys.pdbqt
data/7Q/7QM4-U1H/7QM4-U1H_decoy_scores.csv
7QMD-U1H
data/7Q/7QMD-U1H/7QMD-U1H_ligand.pdbqt
data/7Q/7QMD-U1H/7QMD-U1H_target.pdbqt
data/7Q/7QMD-U1H/7QMD-U1H_decoys.pdbqt
data/7Q/7QMD-U1H/7QMD-U1H_decoy_scores.csv
7Q2B-M6H
data/7Q/7Q2B-M6H/7Q2B-M6H_ligand.pdbqt
data/7Q/7Q2B-M6H/7Q2B-M6H_target.pdbqt
data/7Q/7Q2B-M6H/7Q2B-M6H_decoys.pdbqt
data/7Q/7Q2B-M6H/7Q2B-M6H_decoy_scores.csv
7QD0-ARG
data/7Q/7QD0-ARG/7QD0-ARG_ligand.pdbqt
data/7Q/7QD0-ARG/7QD0-ARG_target.pdbqt
data/7Q/7QD0-ARG/7QD0-ARG_decoys.pdbqt
data/7Q/7QD0-ARG/7QD0-ARG_decoy_scores.csv
7Q0W-PHN
data/7Q/7Q0W-PHN/7Q0W-PHN_ligand.pdbqt
data/7Q/7Q0W-PHN/7Q0W-PHN_target.pdbqt
null
null
7QTB-BTB
data/7Q/7QTB-BTB/7QTB-BTB_ligand.pdbqt
data/7Q/7QTB-BTB/7QTB-BTB_target.pdbqt
data/7Q/7QTB-BTB/7QTB-BTB_decoys.pdbqt
data/7Q/7QTB-BTB/7QTB-BTB_decoy_scores.csv
7Q0U-0BP
data/7Q/7Q0U-0BP/7Q0U-0BP_ligand.pdbqt
data/7Q/7Q0U-0BP/7Q0U-0BP_target.pdbqt
null
null
7Q6U-963
data/7Q/7Q6U-963/7Q6U-963_ligand.pdbqt
data/7Q/7Q6U-963/7Q6U-963_target.pdbqt
data/7Q/7Q6U-963/7Q6U-963_decoys.pdbqt
data/7Q/7Q6U-963/7Q6U-963_decoy_scores.csv
7QEQ-LMT
data/7Q/7QEQ-LMT/7QEQ-LMT_ligand.pdbqt
data/7Q/7QEQ-LMT/7QEQ-LMT_target.pdbqt
data/7Q/7QEQ-LMT/7QEQ-LMT_decoys.pdbqt
data/7Q/7QEQ-LMT/7QEQ-LMT_decoy_scores.csv
7QZI-GHL
data/7Q/7QZI-GHL/7QZI-GHL_ligand.pdbqt
data/7Q/7QZI-GHL/7QZI-GHL_target.pdbqt
data/7Q/7QZI-GHL/7QZI-GHL_decoys.pdbqt
data/7Q/7QZI-GHL/7QZI-GHL_decoy_scores.csv
7QTE-MPO
data/7Q/7QTE-MPO/7QTE-MPO_ligand.pdbqt
data/7Q/7QTE-MPO/7QTE-MPO_target.pdbqt
data/7Q/7QTE-MPO/7QTE-MPO_decoys.pdbqt
data/7Q/7QTE-MPO/7QTE-MPO_decoy_scores.csv
7QFO-ANP
data/7Q/7QFO-ANP/7QFO-ANP_ligand.pdbqt
data/7Q/7QFO-ANP/7QFO-ANP_target.pdbqt
data/7Q/7QFO-ANP/7QFO-ANP_decoys.pdbqt
data/7Q/7QFO-ANP/7QFO-ANP_decoy_scores.csv
7QB7-9X2
data/7Q/7QB7-9X2/7QB7-9X2_ligand.pdbqt
data/7Q/7QB7-9X2/7QB7-9X2_target.pdbqt
data/7Q/7QB7-9X2/7QB7-9X2_decoys.pdbqt
data/7Q/7QB7-9X2/7QB7-9X2_decoy_scores.csv
7Q1C-T56
data/7Q/7Q1C-T56/7Q1C-T56_ligand.pdbqt
data/7Q/7Q1C-T56/7Q1C-T56_target.pdbqt
data/7Q/7Q1C-T56/7Q1C-T56_decoys.pdbqt
data/7Q/7Q1C-T56/7Q1C-T56_decoy_scores.csv
7Q6W-93L
data/7Q/7Q6W-93L/7Q6W-93L_ligand.pdbqt
data/7Q/7Q6W-93L/7Q6W-93L_target.pdbqt
data/7Q/7Q6W-93L/7Q6W-93L_decoys.pdbqt
data/7Q/7Q6W-93L/7Q6W-93L_decoy_scores.csv
7QTA-URI
data/7Q/7QTA-URI/7QTA-URI_ligand.pdbqt
data/7Q/7QTA-URI/7QTA-URI_target.pdbqt
data/7Q/7QTA-URI/7QTA-URI_decoys.pdbqt
data/7Q/7QTA-URI/7QTA-URI_decoy_scores.csv
7QMG-PG5
data/7Q/7QMG-PG5/7QMG-PG5_ligand.pdbqt
data/7Q/7QMG-PG5/7QMG-PG5_target.pdbqt
data/7Q/7QMG-PG5/7QMG-PG5_decoys.pdbqt
data/7Q/7QMG-PG5/7QMG-PG5_decoy_scores.csv
7QG7-U08
data/7Q/7QG7-U08/7QG7-U08_ligand.pdbqt
data/7Q/7QG7-U08/7QG7-U08_target.pdbqt
data/7Q/7QG7-U08/7QG7-U08_decoys.pdbqt
data/7Q/7QG7-U08/7QG7-U08_decoy_scores.csv
7QT7-UHV
data/7Q/7QT7-UHV/7QT7-UHV_ligand.pdbqt
data/7Q/7QT7-UHV/7QT7-UHV_target.pdbqt
data/7Q/7QT7-UHV/7QT7-UHV_decoys.pdbqt
data/7Q/7QT7-UHV/7QT7-UHV_decoy_scores.csv
7Q3T-C8E
data/7Q/7Q3T-C8E/7Q3T-C8E_ligand.pdbqt
data/7Q/7Q3T-C8E/7Q3T-C8E_target.pdbqt
null
null
7QI9-UDP
data/7Q/7QI9-UDP/7QI9-UDP_ligand.pdbqt
data/7Q/7QI9-UDP/7QI9-UDP_target.pdbqt
data/7Q/7QI9-UDP/7QI9-UDP_decoys.pdbqt
data/7Q/7QI9-UDP/7QI9-UDP_decoy_scores.csv
7QMR-U1H
data/7Q/7QMR-U1H/7QMR-U1H_ligand.pdbqt
data/7Q/7QMR-U1H/7QMR-U1H_target.pdbqt
data/7Q/7QMR-U1H/7QMR-U1H_decoys.pdbqt
data/7Q/7QMR-U1H/7QMR-U1H_decoy_scores.csv
7QMG-U1H
data/7Q/7QMG-U1H/7QMG-U1H_ligand.pdbqt
data/7Q/7QMG-U1H/7QMG-U1H_target.pdbqt
data/7Q/7QMG-U1H/7QMG-U1H_decoys.pdbqt
data/7Q/7QMG-U1H/7QMG-U1H_decoy_scores.csv
7QBN-9ZG
data/7Q/7QBN-9ZG/7QBN-9ZG_ligand.pdbqt
data/7Q/7QBN-9ZG/7QBN-9ZG_target.pdbqt
data/7Q/7QBN-9ZG/7QBN-9ZG_decoys.pdbqt
data/7Q/7QBN-9ZG/7QBN-9ZG_decoy_scores.csv
7QZU-FBP
data/7Q/7QZU-FBP/7QZU-FBP_ligand.pdbqt
data/7Q/7QZU-FBP/7QZU-FBP_target.pdbqt
data/7Q/7QZU-FBP/7QZU-FBP_decoys.pdbqt
data/7Q/7QZU-FBP/7QZU-FBP_decoy_scores.csv
7Q1B-GOK
data/7Q/7Q1B-GOK/7Q1B-GOK_ligand.pdbqt
data/7Q/7Q1B-GOK/7Q1B-GOK_target.pdbqt
data/7Q/7Q1B-GOK/7Q1B-GOK_decoys.pdbqt
data/7Q/7Q1B-GOK/7Q1B-GOK_decoy_scores.csv
7QCJ-A4O
data/7Q/7QCJ-A4O/7QCJ-A4O_ligand.pdbqt
data/7Q/7QCJ-A4O/7QCJ-A4O_target.pdbqt
data/7Q/7QCJ-A4O/7QCJ-A4O_decoys.pdbqt
data/7Q/7QCJ-A4O/7QCJ-A4O_decoy_scores.csv
7QHG-T3B
data/7Q/7QHG-T3B/7QHG-T3B_ligand.pdbqt
data/7Q/7QHG-T3B/7QHG-T3B_target.pdbqt
data/7Q/7QHG-T3B/7QHG-T3B_decoys.pdbqt
data/7Q/7QHG-T3B/7QHG-T3B_decoy_scores.csv
7QYW-GIJ
data/7Q/7QYW-GIJ/7QYW-GIJ_ligand.pdbqt
data/7Q/7QYW-GIJ/7QYW-GIJ_target.pdbqt
data/7Q/7QYW-GIJ/7QYW-GIJ_decoys.pdbqt
data/7Q/7QYW-GIJ/7QYW-GIJ_decoy_scores.csv
7QH8-LYS
data/7Q/7QH8-LYS/7QH8-LYS_ligand.pdbqt
data/7Q/7QH8-LYS/7QH8-LYS_target.pdbqt
data/7Q/7QH8-LYS/7QH8-LYS_decoys.pdbqt
data/7Q/7QH8-LYS/7QH8-LYS_decoy_scores.csv
7Q0Q-8I5
data/7Q/7Q0Q-8I5/7Q0Q-8I5_ligand.pdbqt
data/7Q/7Q0Q-8I5/7Q0Q-8I5_target.pdbqt
data/7Q/7Q0Q-8I5/7Q0Q-8I5_decoys.pdbqt
data/7Q/7Q0Q-8I5/7Q0Q-8I5_decoy_scores.csv
7QMV-U1H
data/7Q/7QMV-U1H/7QMV-U1H_ligand.pdbqt
data/7Q/7QMV-U1H/7QMV-U1H_target.pdbqt
data/7Q/7QMV-U1H/7QMV-U1H_decoys.pdbqt
data/7Q/7QMV-U1H/7QMV-U1H_decoy_scores.csv
7QGL-BW0
data/7Q/7QGL-BW0/7QGL-BW0_ligand.pdbqt
data/7Q/7QGL-BW0/7QGL-BW0_target.pdbqt
data/7Q/7QGL-BW0/7QGL-BW0_decoys.pdbqt
data/7Q/7QGL-BW0/7QGL-BW0_decoy_scores.csv
7QC2-AJT
data/7Q/7QC2-AJT/7QC2-AJT_ligand.pdbqt
data/7Q/7QC2-AJT/7QC2-AJT_target.pdbqt
data/7Q/7QC2-AJT/7QC2-AJT_decoys.pdbqt
data/7Q/7QC2-AJT/7QC2-AJT_decoy_scores.csv
7QPN-ANP
data/7Q/7QPN-ANP/7QPN-ANP_ligand.pdbqt
data/7Q/7QPN-ANP/7QPN-ANP_target.pdbqt
data/7Q/7QPN-ANP/7QPN-ANP_decoys.pdbqt
data/7Q/7QPN-ANP/7QPN-ANP_decoy_scores.csv
7QV8-ADP
data/7Q/7QV8-ADP/7QV8-ADP_ligand.pdbqt
data/7Q/7QV8-ADP/7QV8-ADP_target.pdbqt
data/7Q/7QV8-ADP/7QV8-ADP_decoys.pdbqt
data/7Q/7QV8-ADP/7QV8-ADP_decoy_scores.csv
7QE2-BDP
data/7Q/7QE2-BDP/7QE2-BDP_ligand.pdbqt
data/7Q/7QE2-BDP/7QE2-BDP_target.pdbqt
data/7Q/7QE2-BDP/7QE2-BDP_decoys.pdbqt
data/7Q/7QE2-BDP/7QE2-BDP_decoy_scores.csv
7QXZ-I0M
data/7Q/7QXZ-I0M/7QXZ-I0M_ligand.pdbqt
data/7Q/7QXZ-I0M/7QXZ-I0M_target.pdbqt
data/7Q/7QXZ-I0M/7QXZ-I0M_decoys.pdbqt
data/7Q/7QXZ-I0M/7QXZ-I0M_decoy_scores.csv
7QCH-A5I
data/7Q/7QCH-A5I/7QCH-A5I_ligand.pdbqt
data/7Q/7QCH-A5I/7QCH-A5I_target.pdbqt
data/7Q/7QCH-A5I/7QCH-A5I_decoys.pdbqt
data/7Q/7QCH-A5I/7QCH-A5I_decoy_scores.csv
7QM9-PG5
data/7Q/7QM9-PG5/7QM9-PG5_ligand.pdbqt
data/7Q/7QM9-PG5/7QM9-PG5_target.pdbqt
data/7Q/7QM9-PG5/7QM9-PG5_decoys.pdbqt
data/7Q/7QM9-PG5/7QM9-PG5_decoy_scores.csv
7Q37-LFA
data/7Q/7Q37-LFA/7Q37-LFA_ligand.pdbqt
data/7Q/7Q37-LFA/7Q37-LFA_target.pdbqt
null
null
7QSC-GDP
data/7Q/7QSC-GDP/7QSC-GDP_ligand.pdbqt
data/7Q/7QSC-GDP/7QSC-GDP_target.pdbqt
data/7Q/7QSC-GDP/7QSC-GDP_decoys.pdbqt
data/7Q/7QSC-GDP/7QSC-GDP_decoy_scores.csv
7QMH-PG5
data/7Q/7QMH-PG5/7QMH-PG5_ligand.pdbqt
data/7Q/7QMH-PG5/7QMH-PG5_target.pdbqt
data/7Q/7QMH-PG5/7QMH-PG5_decoys.pdbqt
data/7Q/7QMH-PG5/7QMH-PG5_decoy_scores.csv
7Q7H-UQ7
data/7Q/7Q7H-UQ7/7Q7H-UQ7_ligand.pdbqt
data/7Q/7Q7H-UQ7/7Q7H-UQ7_target.pdbqt
data/7Q/7Q7H-UQ7/7Q7H-UQ7_decoys.pdbqt
data/7Q/7Q7H-UQ7/7Q7H-UQ7_decoy_scores.csv
7QBL-A0U
data/7Q/7QBL-A0U/7QBL-A0U_ligand.pdbqt
data/7Q/7QBL-A0U/7QBL-A0U_target.pdbqt
data/7Q/7QBL-A0U/7QBL-A0U_decoys.pdbqt
data/7Q/7QBL-A0U/7QBL-A0U_decoy_scores.csv
7Q7S-97S
data/7Q/7Q7S-97S/7Q7S-97S_ligand.pdbqt
data/7Q/7Q7S-97S/7Q7S-97S_target.pdbqt
data/7Q/7Q7S-97S/7Q7S-97S_decoys.pdbqt
data/7Q/7Q7S-97S/7Q7S-97S_decoy_scores.csv
7QWN-DQE
data/7Q/7QWN-DQE/7QWN-DQE_ligand.pdbqt
data/7Q/7QWN-DQE/7QWN-DQE_target.pdbqt
data/7Q/7QWN-DQE/7QWN-DQE_decoys.pdbqt
data/7Q/7QWN-DQE/7QWN-DQE_decoy_scores.csv
7Q4I-UDP
data/7Q/7Q4I-UDP/7Q4I-UDP_ligand.pdbqt
data/7Q/7Q4I-UDP/7Q4I-UDP_target.pdbqt
data/7Q/7Q4I-UDP/7Q4I-UDP_decoys.pdbqt
data/7Q/7Q4I-UDP/7Q4I-UDP_decoy_scores.csv
7Q0O-FMN
data/7Q/7Q0O-FMN/7Q0O-FMN_ligand.pdbqt
data/7Q/7Q0O-FMN/7Q0O-FMN_target.pdbqt
data/7Q/7Q0O-FMN/7Q0O-FMN_decoys.pdbqt
data/7Q/7Q0O-FMN/7Q0O-FMN_decoy_scores.csv
7QZ6-DM1
data/7Q/7QZ6-DM1/7QZ6-DM1_ligand.pdbqt
data/7Q/7QZ6-DM1/7QZ6-DM1_target.pdbqt
data/7Q/7QZ6-DM1/7QZ6-DM1_decoys.pdbqt
data/7Q/7QZ6-DM1/7QZ6-DM1_decoy_scores.csv
7QMM-U1H
data/7Q/7QMM-U1H/7QMM-U1H_ligand.pdbqt
data/7Q/7QMM-U1H/7QMM-U1H_target.pdbqt
data/7Q/7QMM-U1H/7QMM-U1H_decoys.pdbqt
data/7Q/7QMM-U1H/7QMM-U1H_decoy_scores.csv
7QT1-CAP
data/7Q/7QT1-CAP/7QT1-CAP_ligand.pdbqt
data/7Q/7QT1-CAP/7QT1-CAP_target.pdbqt
data/7Q/7QT1-CAP/7QT1-CAP_decoys.pdbqt
data/7Q/7QT1-CAP/7QT1-CAP_decoy_scores.csv
7QEK-3IO
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7Q7L-9I2
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7QHL-D5P
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7Q0V-PHN
data/7Q/7Q0V-PHN/7Q0V-PHN_ligand.pdbqt
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null
null
7QMD-PG5
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7QM7-U1H
data/7Q/7QM7-U1H/7QM7-U1H_ligand.pdbqt
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7Q5E-90I
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7QMC-PG5
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7QMA-U1H
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7QMW-PG5
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data/7Q/7QMW-PG5/7QMW-PG5_decoys.pdbqt
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7QP3-A2G
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7QRD-SAH
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7QCK-A7L
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7QBU-MTA
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7QRD-QVR
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7QT6-RZJ
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7QD1-ECH
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7QMN-PG5
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7QEE-BDP
data/7Q/7QEE-BDP/7QEE-BDP_ligand.pdbqt
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7QMM-PG5
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7QBP-PLM
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7Q35-OLA
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null
null
7QN0-PG5
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7QK8-P4C
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7QDN-FBP
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7QYN-P15
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7QZ8-DM1
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7QKC-RN2
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7QMJ-U1H
data/7Q/7QMJ-U1H/7QMJ-U1H_ligand.pdbqt
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7QZU-I4L
data/7Q/7QZU-I4L/7QZU-I4L_ligand.pdbqt
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data/7Q/7QZU-I4L/7QZU-I4L_decoys.pdbqt
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7QK9-P4C
data/7Q/7QK9-P4C/7QK9-P4C_ligand.pdbqt
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7QHZ-CI5
data/7Q/7QHZ-CI5/7QHZ-CI5_ligand.pdbqt
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7QSY-CAP
data/7Q/7QSY-CAP/7QSY-CAP_ligand.pdbqt
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data/7Q/7QSY-CAP/7QSY-CAP_decoys.pdbqt
data/7Q/7QSY-CAP/7QSY-CAP_decoy_scores.csv