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 |