id
int64
buildingblock1_smiles
string
buildingblock2_smiles
string
buildingblock3_smiles
string
molecule_smiles
string
protein_name
string
binds
int64
295,246,700
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)c2[nH]cnc2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c3[nH]cnc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,701
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)c2cc[nH]c2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c3cc[nH]c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,702
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)c2cc[nH]c2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c3cc[nH]c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,703
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)c2cc[nH]c2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c3cc[nH]c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,704
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)c2cn[nH]c2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c3cn[nH]c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,705
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)c2cn[nH]c2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c3cn[nH]c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,706
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)c2cn[nH]c2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c3cn[nH]c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,707
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)ncc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)ncc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,708
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)ncc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)ncc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,709
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(Cl)ncc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)ncc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,710
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(F)cc(F)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(F)cc(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,711
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(F)cc(F)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(F)cc(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,712
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(F)cc(F)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(F)cc(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,713
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(F)nc2nc[nH]c12
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2nc(F)nc3nc[nH]c23)n1)C(=O)N[Dy]
BRD4
0
295,246,714
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(F)nc2nc[nH]c12
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2nc(F)nc3nc[nH]c23)n1)C(=O)N[Dy]
HSA
0
295,246,715
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(F)nc2nc[nH]c12
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2nc(F)nc3nc[nH]c23)n1)C(=O)N[Dy]
sEH
0
295,246,716
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(OCc2ccccc2)c2nc[nH]c2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(OCc3ccccc3)c3nc[nH]c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,717
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(OCc2ccccc2)c2nc[nH]c2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(OCc3ccccc3)c3nc[nH]c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,718
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc(OCc2ccccc2)c2nc[nH]c2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(OCc3ccccc3)c3nc[nH]c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,719
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(Br)cccc2s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(Br)cccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,720
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(Br)cccc2s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(Br)cccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,721
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(Br)cccc2s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(Br)cccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,722
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(s1)CCCC2
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(s2)CCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,723
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(s1)CCCC2
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(s2)CCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,724
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(s1)CCCC2
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(s2)CCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,725
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(s1)CN(C(=O)OCc1ccccc1)CC2
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(s2)CN(C(=O)OCc2ccccc2)CC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,726
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(s1)CN(C(=O)OCc1ccccc1)CC2
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(s2)CN(C(=O)OCc2ccccc2)CC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,727
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(s1)CN(C(=O)OCc1ccccc1)CC2
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(s2)CN(C(=O)OCc2ccccc2)CC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,728
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(s1)COCC2
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(s2)COCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,729
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(s1)COCC2
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(s2)COCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,730
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2c(s1)COCC2
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3c(s2)COCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,731
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2cc(Br)ccn2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3cc(Br)ccn3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,732
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2cc(Br)ccn2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3cc(Br)ccn3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,733
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2cc(Br)ccn2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3cc(Br)ccn3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,734
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2cc([N+](=O)[O-])ccc2[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,735
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2cc([N+](=O)[O-])ccc2[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,736
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2cc([N+](=O)[O-])ccc2[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,737
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccc(Cl)cc2o1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccc(Cl)cc3o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,738
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccc(Cl)cc2o1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccc(Cl)cc3o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,739
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccc(Cl)cc2o1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccc(Cl)cc3o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,740
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccc(Cl)cc2s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccc(Cl)cc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,741
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccc(Cl)cc2s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccc(Cl)cc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,742
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccc(Cl)cc2s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccc(Cl)cc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,743
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2cccc(Br)n2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3cccc(Br)n3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,744
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2cccc(Br)n2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3cccc(Br)n3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,745
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2cccc(Br)n2n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3cccc(Br)n3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,746
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccccc2[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccccc3[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,747
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccccc2[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccccc3[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,748
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccccc2[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccccc3[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,749
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccccc2o1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccccc3o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,750
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccccc2o1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccccc3o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,751
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccccc2o1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccccc3o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,752
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccccc2s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,753
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccccc2s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,754
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2ccccc2s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3ccccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,755
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2nc[nH]c2c(=O)[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3nc[nH]c3c(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,756
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2nc[nH]c2c(=O)[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3nc[nH]c3c(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,757
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc2nc[nH]c2c(=O)[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc3nc[nH]c3c(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,758
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc[nH]n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,759
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc[nH]n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,760
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nc[nH]n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,761
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(-c2ccccc2)s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(-c3ccccc3)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,762
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(-c2ccccc2)s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(-c3ccccc3)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,763
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(-c2ccccc2)s1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(-c3ccccc3)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,764
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(Cl)c(Cl)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(Cl)c(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,765
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(Cl)c(Cl)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(Cl)c(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,766
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(Cl)c(Cl)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(Cl)c(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,767
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(Cl)cc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(Cl)cc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,768
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(Cl)cc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(Cl)cc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,769
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(Cl)cc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(Cl)cc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,770
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(Cl)nc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(Cl)nc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,771
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(Cl)nc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(Cl)nc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,772
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(Cl)nc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(Cl)nc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,773
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(F)cc1[N+](=O)[O-]
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(F)cc2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,774
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(F)cc1[N+](=O)[O-]
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(F)cc2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,775
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc(F)cc1[N+](=O)[O-]
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc(F)cc2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,776
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc[nH]c1=O
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc[nH]c2=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,777
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc[nH]c1=O
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc[nH]c2=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,778
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncc[nH]c1=O
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncc[nH]c2=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,779
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc(-c2cccnc2)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(-c3cccnc3)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,780
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc(-c2cccnc2)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(-c3cccnc3)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,781
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc(-c2cccnc2)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(-c3cccnc3)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,782
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc(=O)[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,783
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc(=O)[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,784
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc(=O)[nH]1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,785
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc(Cl)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,786
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc(Cl)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,787
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc(Cl)n1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,788
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc2cccnc12
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2nccc3cccnc23)n1)C(=O)N[Dy]
BRD4
0
295,246,789
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc2cccnc12
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2nccc3cccnc23)n1)C(=O)N[Dy]
HSA
0
295,246,790
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccc2cccnc12
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2nccc3cccnc23)n1)C(=O)N[Dy]
sEH
0
295,246,791
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncccc1C=O
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncccc2C=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,792
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncccc1C=O
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncccc2C=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,793
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncccc1C=O
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncccc2C=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,794
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccnc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,795
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccnc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,796
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1nccnc1Cl
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0
295,246,797
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncco1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncco2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
BRD4
0
295,246,798
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncco1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncco2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
HSA
0
295,246,799
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
Nc1noc2ccc(F)cc12
Nc1ncco1
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncco2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
sEH
0