chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL13503 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Branch2][C][C][C][C@H1][Ring1][Ring2][N][C][=C][Ring1][=N][O][C] |
CHEMBL13828 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] |
CHEMBL13830 | [O][=C][Branch1][#Branch2][N][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][... |
CHEMBL13831 | [C][C][C][C][N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1].[Cl] |
CHEMBL13525 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1] |
CHEMBL13561 | [C][S+1][Branch1][C][O-1][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL13562 | [C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl].[Cl] |
CHEMBL13563 | [N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch1][=N][C][S+1][Branch1][C][O-1][C][Branch1][Ring1][C][O][C][O][C][Ring1][=N][=N][Ring2][Ring1][C] |
CHEMBL13564 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1] |
CHEMBL13565 | [C][C][=Branch1][C][=O][C@@][O][C][Branch1][C][C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][=C][Ring1][=Branch2][O][C@@H1][Ring1][#C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring1][S][C] |
CHEMBL13672 | [C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][N][=C][C][=C][NH1][C][=C][Ring1][=Branch1][N][=Ring1][=Branch2][C][Ring1][#C][S][C][Ring2][Ring1][#Branch2] |
CHEMBL1163482 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL13588 | [C][N][C][C@H1][Branch1][=N][C][N][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][Ring2][Ring1][Branch2] |
CHEMBL13589 | [N][C][=N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N] |
CHEMBL13590 | [C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O].[Cl] |
CHEMBL4543171 | [C][C@H1][Branch1][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F] |
CHEMBL4543172 | [C][O][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][N][N][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][N][Ring1][=N][C][Ring1][S][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N] |
CHEMBL13591 | [C][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL13592 | [C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL13690 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1... |
CHEMBL13504 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C] |
CHEMBL13505 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Ring1][C][Cl][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O] |
CHEMBL13506 | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][=O][=C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL13612 | [C][C][=Branch1][C][=O][O][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=N][C][=C][S][C][=C][Ring1][Branch1][NH1][Ring1][Branch2][C][Ring1][=C][S][C][Ring2][Ri... |
CHEMBL13613 | [C][/N][=C][Branch1][Ring2][/N][C][#N][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring1][=C] |
CHEMBL13526 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S] |
CHEMBL13527 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][C][=N+1][Branch1][C][O-1][C][=C][Ring1][#Branch1][N][=C][Ring1][O][Ring1][S] |
CHEMBL13528 | [C][C][Branch1][C][C][C][C][=C][Branch1][C][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4543211 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][C@H1][Branch1][O][/C][=C][/S][Branch1]... |
CHEMBL4543212 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][N][N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL13530 | [C][O][C][=C][C][Branch1][#Branch1][C][C][C][Ring1][Ring1][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][C] |
CHEMBL13531 | [C][C][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=N+1][Ring1][N][O-1] |
CHEMBL3309507 | [C][N][C][C][C@][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C@H1][Ring1][#Branch2][C][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Ring2][Ring1][#Branch2][Branch1][C][O][C@H1][Ring2][Ring1][#C][C][Ring2][Ring1][O] |
CHEMBL13673 | [C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][O][O][C][C][C][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL13674 | [C][C][Branch1][C][C][C][C][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL13757 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL1163485 | [O][=C][Branch2][Ring1][=N][C][C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL13758 | [C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][Ring1][S][S][C][Ring2][Ring1][O] |
CHEMBL13691 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4543222 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring1][=N] |
CHEMBL4543223 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=C][O][C][=C][C][Branch1][#C][O][C][C][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][=N] |
CHEMBL4543224 | [C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=C][C][=N][N][Ring2][Ring1][Branch1][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2] |
CHEMBL13692 | [C][C][C][=C][C][=C][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][Ring1][N][=C][Ring1][S] |
CHEMBL13693 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][Br][C][=C][Ring2][Ring1][Ring2][Br] |
CHEMBL13785 | [C][C][Branch1][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL3309594 | [C][N][C][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][Ring1][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][#C] |
CHEMBL13614 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][S][Ring2][Ring1][=Branch2] |
CHEMBL13615 | [C][C][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2].[Cl] |
CHEMBL13616 | [C][=C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL13714 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][C][=N][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][N][Ring1][#Branch2][Ring1][#C] |
CHEMBL13715 | [F][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O] |
CHEMBL13716 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2][O][C][O][Ring1][#Branch1] |
CHEMBL13640 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C][Branch1][C][C][=C][Ring2][Ring1][=N] |
CHEMBL13642 | [O][C][C][C][N][Branch2][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Ring1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][Branch2] |
CHEMBL13643 | [C][C][=Branch1][C][=O][O].[C][C][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Bran... |
CHEMBL13644 | [C][N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=C][C][Ring2][Ring1][C] |
CHEMBL13645 | [C][N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=C][C][Ring2][Ring1][C] |
CHEMBL13646 | [N][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][Ring1][=Branch2] |
CHEMBL3309547 | [C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][C][=N][Ring2][Ring1][=C] |
CHEMBL4543244 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4543245 | [O][=C][Branch2][Ring2][Branch2][C][S][C][=N][N][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][Ring1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4543246 | [Cl][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=C] |
CHEMBL13759 | [O][=C][Branch1][C][O][C][=C][N][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][=N] |
CHEMBL13760 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C@@H1][Ring1][P][O] |
CHEMBL13761 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N+1][Ring1][N][O-1] |
CHEMBL13854 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL13855 | [O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring1][Ring1][O] |
CHEMBL13856 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][P][C][C][N][C][=Branch1][C][=O][NH1][C][S][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][P][=O][C][C][Ring2][Ring1][#Branch2] |
CHEMBL13876 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Ring2][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL13877 | [C][O][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] |
CHEMBL13878 | [C][#C][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C] |
CHEMBL13879 | [F][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][Cl] |
CHEMBL13586 | [C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=N][C][Branch1][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][Ring1][=N][S][C][Ring2][Ring1][P] |
CHEMBL13717 | [C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL13718 | [C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL13719 | [C][C][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2].[Cl] |
CHEMBL13720 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][C@H1][N][C][=Branch1][C][=O][/C][=C][/C][C@@H1][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][N][C][Ring2][Ring1][P][=O][C][=C][Ring2]... |
CHEMBL13721 | [C][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S] |
CHEMBL13813 | [C][C][C][S][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][N][Ring1][=N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P] |
CHEMBL13814 | [C][C][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2].[Cl] |
CHEMBL13815 | [C][O][C][C][O][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL13737 | [C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][N][Ring1][Branch2][C][Ring1][=C][S][C][Ring2][Ring2][C] |
CHEMBL13738 | [C][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2].[Cl] |
CHEMBL533 | [C][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
CHEMBL13739 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch1] |
CHEMBL13740 | [C][C][Branch1][C][C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][... |
CHEMBL3309548 | [C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][Branch1][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][P][=N][Ring2][Ring1][=N] |
CHEMBL13857 | [C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][S][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL13858 | [C][O][C][=C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][Ring1][#C] |
CHEMBL13859 | [C][O][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][O] |
CHEMBL13860 | [C][C][N][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CHEMBL13566 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] |
CHEMBL13567 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring2][Ring1][Ring1] |
CHEMBL13568 | [C][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=N][=O] |
CHEMBL13119 | [C][C][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C][C][C][C][C][C][=C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C@][Ring1][S][Branch1][C][C][C@@][Ring2][Ring1][Ring2][Branch1][C][O][C@@H1][Ring2][Ring1][#Branch2][C] |
CHEMBL13120 | [F][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch2][Ring1][Ring1][C][C][C][C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] |
CHEMBL13121 | [O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][Ring1][N] |
CHEMBL13215 | [C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] |
CHEMBL13217 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C][C@@H1][Branch1][O][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C... |
CHEMBL13218 | [N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
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