chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL13542 | [C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2].[Cl] |
CHEMBL13580 | [N][C][=N][C][Branch1][C][N][=C][Branch2][Ring2][Ring1][C][C][C][C][C][=C][S][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][=C][Ring1][P][C][Branch1][C][O][=N][Ring2][Ring1][=N] |
CHEMBL13680 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][=N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=C][Ring1][=Branch1][O][C][O][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1] |
CHEMBL13681 | [N][C][=N][C][Branch1][C][O][=C][Branch2][Ring2][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][Branch1][C][O][=N][Ring2][Ring1][=C] |
CHEMBL13683 | [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] |
CHEMBL13223 | [O][=C][Branch1][=Branch2][N][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][N][C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][=N] |
CHEMBL13224 | [C][C][Branch1][C][O][C][NH1][C][Branch2][=Branch1][=C][C][C][NH1][C][Branch2][Branch1][Ring1][C][C][NH1][C][Branch2][Ring1][Branch2][C][C][NH1][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring1][#Branch2][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][=Bran... |
CHEMBL13226 | [C][N][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][=C][C][C][NH1][C][Branch2][Branch1][#Branch1][C][C][NH1][C][Branch2][Ring1][N][C][C][NH1][C][Branch1][Ring1][C][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring1][O][C][C][C][=Branch1][C][... |
CHEMBL13227 | [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][Ring1][#Branch1][N][=C][C][=N+1][Branch1][C][O-1][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C] |
CHEMBL13228 | [C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] |
CHEMBL13311 | [O][=C][C][=C][O][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL3309595 | [C][N][C][C][N][Branch2][Ring2][N][C][=Branch1][C][=O][C][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][S] |
CHEMBL13516 | [C][C][O][C][=Branch1][C][=O][C][=C][N][C][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][N][=N][Ring1][#C] |
CHEMBL13518 | [C][C][=Branch1][C][=O][O].[C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][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... |
CHEMBL13520 | [C][S][=Branch1][C][=O][=N][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
CHEMBL13628 | [C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL13629 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][O][=C][Ring2][Ring1][C][C] |
CHEMBL13630 | [C][N][N][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][/C][Ring1][=Branch2][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] |
CHEMBL13544 | [C][C][Branch1][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2].[Cl] |
CHEMBL13545 | [C][C][=N][N][=C][Branch2][Ring2][N][S][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][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][Ring1][O][S][C][Ring2][Ring1][=Branch1][S][Ring2][Ring1][=N] |
CHEMBL13547 | [C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl].[Cl] |
CHEMBL13656 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][C@H1][N][C][=Branch1][C][=O][/C][=C][/C][C@@H1][Branch1][#C][C][Branch1][C][Br][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][C][N][C][Ring2][Ring1][P][=O][C][=C][Ring2][R... |
CHEMBL13657 | [C][C][=Branch1][C][=O][O].[C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][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][#Branch1] |
CHEMBL13658 | [Cl].[N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CHEMBL13684 | [C][C][Branch1][C][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL13685 | [C][C][Branch1][C][C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1].[Cl] |
CHEMBL13770 | [C][N][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][N][=N][Ring1][#Branch1][C][C@@H1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][Ring2][Ring1][=C] |
CHEMBL13771 | [C][C][C][=C][C][=Branch2][Ring1][=Branch1][=N][C][=C][N][=C][Branch1][=Branch2][C][#C][C][N][Branch1][C][C][C][C][=C][Ring1][S][Ring1][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C] |
CHEMBL13773 | [C][C][C@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C]... |
CHEMBL4543247 | [C][C][C][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4543248 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring2][C] |
CHEMBL4543249 | [O][=C][C][=N][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][S][C][=C][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13775 | [O][=C][Branch1][C][O][C][=C][N][C][Branch1][S][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=N][Ring1][=C] |
CHEMBL13312 | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][Ring2][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][Ring2][Ring1][C][N][Branch1][C][C][C][Ring2][Ring1][O][=O] |
CHEMBL13313 | [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][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13314 | [C][C][C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2].[Cl] |
CHEMBL13315 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=C][C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL13401 | [C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2].[Cl] |
CHEMBL3309596 | [C][C][Branch1][C][C][C@H1][Branch1][P][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1] |
CHEMBL4543255 | [C][C][=C][S][C][NH1][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=Ring1][S] |
CHEMBL13631 | [C][=C][C][=C][N][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][C][Ring1][O][=C][Ring1][#C] |
CHEMBL13632 | [C][N][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] |
CHEMBL13633 | [C][O][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL1163483 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][O] |
CHEMBL13728 | [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] |
CHEMBL13729 | [C][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL13730 | [C][O][C][=C][C][=C][C][=C][C][=N][C][Branch1][Ring1][C][=O][=C][N][Ring1][#Branch1][C][Ring1][O][=C][Ring1][#C] |
CHEMBL3309465 | [O][=C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O] |
CHEMBL13659 | [N][C][=N][C][Branch1][C][N][=C][Branch2][Ring2][Branch1][C][C][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][Branch1][C][O][=N][Ring2][Ring1][=C] |
CHEMBL13660 | [C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][O][=O] |
CHEMBL13661 | [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] |
CHEMBL13747 | [C][C][=Branch1][C][=O][O].[C][C][N][Branch1][#Branch2][C][C][C][=C][C][=C][S][Ring1][Branch1][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][#Branch1] |
CHEMBL13776 | [C][C][C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1].[Cl] |
CHEMBL13778 | [S][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][C] |
CHEMBL13868 | [F][C][=C][C][=C][Branch2][Branch1][C][C][N][=C][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][Branch1] |
CHEMBL13869 | [C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CHEMBL13870 | [C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL13402 | [C][C][Branch1][C][C][N][C][=Branch1][C][=S][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1] |
CHEMBL13403 | [C][=C][C][N][C][C][C][Branch2][Ring1][P][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N][C][C][Ring2][Ring1][#Branch2] |
CHEMBL13404 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch1] |
CHEMBL13405 | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=Branch1][Ring1][=C][/O][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring1][P][N][Branch1][C][C][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL13802 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][S][Ring2][Ring1][Ring2] |
CHEMBL13731 | [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][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][N][Ring1][... |
CHEMBL13732 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch2][Ring1][N][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][O].[C][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL13818 | [Cl].[N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL13820 | [C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][=Branch2][O][C][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL1163484 | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][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][Ring2][Ring1][#Branch2] |
CHEMBL13749 | [C][C][N][Branch1][=C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][F][F][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
CHEMBL13750 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][Ring2][Ring1][N] |
CHEMBL13842 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][C][=Ring1][Branch2][C][=Branch1][C][=O][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring... |
CHEMBL13843 | [Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][=C] |
CHEMBL14232 | [C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C][=O] |
CHEMBL14234 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL14235 | [C][C][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][Ring1][N] |
CHEMBL13954 | [C][C][Branch1][C][C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][NH1][C][=Ring1][N][C][Ring2][Ring1][=Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Bran... |
CHEMBL14258 | [C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#C][C][=Ring2][Ring1][Ring2][Cl] |
CHEMBL14259 | [C][N+1][Branch1][C][C][Branch1][C][C][C][C][Se][C][C][N+1][Branch1][C][C][Branch1][C][C][C] |
CHEMBL13978 | [Cl].[N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] |
CHEMBL13979 | [C][N][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][N][=N][Ring1][#Branch1][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] |
CHEMBL13980 | [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] |
CHEMBL4543305 | [C][N][C][=N][C][=C][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1] |
CHEMBL4543306 | [C][C][=C][C][Branch1][#C][O][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][Ring1][S][C][=N][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][C] |
CHEMBL14196 | [C][=C][C][C][C][C][C][C][C][C][=N][C][Branch1][#Branch1][C][C][C][C][C][=C][C][C][Ring1][O] |
CHEMBL14197 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Branch1] |
CHEMBL14198 | [C][C][N][Branch1][C][C][C][=Branch1][C][=S][S][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL14199 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#C][C][C][C][N][C][=Branch1][C][=O][NH1][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][S][=O][C][C][Ring2][Ring1][#Branch2] |
CHEMBL14200 | [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl].[Cl] |
CHEMBL14212 | [C][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][#C][C] |
CHEMBL14213 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][P][C][C][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][=Ring1][O][N][Branch1][C][C][C][Ring1][P][=O][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4543314 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][O][=C][C][=C][Ring1][O][Ring1][=C] |
CHEMBL4543315 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=N][N][N][Branch1][C][C][C][=Ring1][=C][N][Branch1][C][C][C][=Ring2][Ring1][#Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F... |
CHEMBL4543316 | [Br].[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][#Branch1][C][=C][N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][Ring1][O][=N][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][C][#N] |
CHEMBL14214 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][N][Branch1][C][C][C][C][Branch1][C][C][O][=N][N][Ring2][Ring1][Ring1][Ring1][S][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL14215 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Branch1][/C][=C][/C][O][C][=C][Ring1][#Branch2][Cl] |
CHEMBL14216 | [F][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL13931 | [C][C][C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][C][=C][C][=C][Ring2][Ring1][Ring2][C][=Branch2][Ring1][#C][=C][Branch1][=N][C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][O][N][Ring1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring... |
CHEMBL13955 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][N][Ring1][N][C][C][Ring1][#C] |
CHEMBL13958 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][N][Ring1][O][C] |
CHEMBL13961 | [C][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2].[Cl] |
CHEMBL538 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
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