chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL12885 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O] |
CHEMBL12910 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch2][Ring2][=Branch1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][#Branch2] |
CHEMBL12911 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL12998 | [C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL1163466 | [C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL12999 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][O][C][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][C] |
CHEMBL12846 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL12847 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][C][C][Branch1][=N][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][C][=C][Ring2][Ring1][O] |
CHEMBL6993 | [N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O] |
CHEMBL12938 | [C][S][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL524 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][C][Branch1][C][O][C][Branch1][C][C][N][=C][Ring1][=N] |
CHEMBL12951 | [C][C][Branch1][C][C][N][Branch2][Ring2][=C][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][C][C] |
CHEMBL12952 | [C][O][C][=C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][Ring1][O][=C][Ring1][#C] |
CHEMBL12953 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][Branch2] |
CHEMBL12954 | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N] |
CHEMBL12955 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL12956 | [O][=C][Branch1][C][O][C][C][C][=C][Branch1][C][Br][NH1][C][Branch2][#Branch1][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][=O][O][=C][Branch1][#Branch1][C][C][=Branc... |
CHEMBL12957 | [N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL12887 | [C][O][/N][=C][Branch2][Ring1][N][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][O][C@H1][Ring1][N][Ring1][=Branch2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1] |
CHEMBL1163462 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] |
CHEMBL12976 | [C][C][Branch1][C][C][C][C][S][C][=C][C][=C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][P][Ring2][Ring1][=Branch1] |
CHEMBL12977 | [C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@H1][C][C@H1][Ring1][Ring1][C][C][Ring1][N][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1] |
CHEMBL1163463 | [C][C][Branch1][C][C][C@H1][Branch2][O][Ring1][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][N][C][=Branc... |
CHEMBL12978 | [O][=C][Branch1][=C][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL13000 | [C][/C][=Branch2][Ring1][=Branch2][=C][\C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][=C][C][C][=Branch1][C][=O][N][O] |
CHEMBL13001 | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring1][S] |
CHEMBL13084 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][C][N][=C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][O][=C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring1][P][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][=N][=O] |
CHEMBL13085 | [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][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13086 | [C][N][Branch1][C][C][C][C][C][=C][NH1][C][S][C][=C][C][Ring1][Branch2][=Ring1][Branch1] |
CHEMBL13019 | [C][C][Branch1][C][C][N][Branch2][Ring2][#Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] |
CHEMBL13020 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C][=Branch1][C][=O][C][C][C][C@][Ring1][N][Ring1][#Branch1][C] |
CHEMBL13022 | [C][/C][=Branch1][P][=C][\C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] |
CHEMBL12756 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12757 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C][O][C][=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] |
CHEMBL13047 | [C][C][C][C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][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] |
CHEMBL13048 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][C][Ring1][=C][=C][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL13050 | [O][=C][Branch1][=C][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1] |
CHEMBL13051 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][C][C][C][C][N][C][C][C][Branch2][Ring1][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1] |
CHEMBL13062 | [C][C][Branch1][C][C][N][Branch2][Ring2][=Branch1][C][C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][C][C][C] |
CHEMBL13063 | [C][C][=Branch1][C][=O][O].[N][C][Branch1][C][N][=N][C][C][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][S][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL13064 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] |
CHEMBL13065 | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][N][/C][=Branch1][P][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][N] |
CHEMBL13066 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][P][C][Branch1][C][C][C] |
CHEMBL13067 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][S][C][=C][C][Branch1][C][O][=C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL13087 | [C][P][=Branch1][C][=O][Branch1][C][O][C][Branch1][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][#C][Ring1][Branch2] |
CHEMBL12824 | [N][C][C][C][C][C@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2] |
CHEMBL12825 | [C][=C][C][=C][Branch2][Ring2][Branch2][C][C][N][C][C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][N][=C][Ring2][Ring1][=C] |
CHEMBL12826 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=N][S] |
CHEMBL12759 | [C][/N][=C][Branch1][C][\S][N][C][C][S][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL12760 | [C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][/C][=C][/C][=Branch1][C][=O][N][O] |
CHEMBL13179 | [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] |
CHEMBL12844 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O] |
CHEMBL12778 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S] |
CHEMBL12779 | [C][C][C][C][=N][C][=C][Branch2][Ring2][N][N][Ring1][Branch1][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring1][P] |
CHEMBL12780 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch2][Ring1][O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL12781 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][=C][C][S][C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][Ring2][Ring1][S] |
CHEMBL12801 | [Cl][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring2] |
CHEMBL12802 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][O][C][=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] |
CHEMBL12803 | [C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@H1][C][C][Ring1][Ring1][C][C][Ring1][N][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1] |
CHEMBL12804 | [O][=P][Branch1][C][O][Branch1][C][O][C][C][=C][C][Branch1][C][F][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][=N][Ring1][Branch2] |
CHEMBL4543218 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] |
CHEMBL4543219 | [C][C@][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][=C] |
CHEMBL12805 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][C][C][Ring1][=C] |
CHEMBL12827 | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C] |
CHEMBL12828 | [C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][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][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][O] |
CHEMBL12912 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL527 | [C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2][=Branch1][C][=O][=O] |
CHEMBL12914 | [C][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL12936 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][Ring1][N][C][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][F][C][=C][Ring1][=C][C][Ring2][Ring1][Ring2][=O].[C][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL12937 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][S][C][C][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][=Branch1] |
CHEMBL13018 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=N][N][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O][Ring2][Ring1][P] |
CHEMBL512 | [C][N][/C][=Branch1][#Branch1][=C][\N+1][=Branch1][C][=O][O-1][N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2] |
CHEMBL12864 | [C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#C] |
CHEMBL12866 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][N] |
CHEMBL12867 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=Branch1][O][=C][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL98 | [O][=C][Branch2][Ring1][Ring2][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][O] |
CHEMBL12888 | [C][C][C][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][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][Ring2][Ring1][C][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][=C][=O] |
CHEMBL12889 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL12890 | [C][N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P][/C][=C][/C][=Branch1][C][=O][N][O] |
CHEMBL12892 | [N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL12915 | [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] |
CHEMBL12916 | [C][C][=C][C][=C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring1][P] |
CHEMBL12917 | [C][C][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N+1][Ring1][=N][O-1] |
CHEMBL13002 | [O][=C][Branch1][C][O][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S] |
CHEMBL13003 | [O][=S][=Branch1][C][=O][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL12668 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][C][C@][Ring1][=C][Ring1][=Branch2][C] |
CHEMBL12670 | [O][=C][Branch2][Ring2][N][C@@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2] |
CHEMBL12671 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][Ring1][S][=O] |
CHEMBL12672 | [C][C][=Branch1][C][=O][O].[C][C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Br][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] |
CHEMBL12958 | [O][=C][Branch1][=C][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1] |
CHEMBL12959 | [C][C][C][C][/C][=C][Branch1][N][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C] |
CHEMBL12960 | [C][C][Branch1][C][C][N][Branch2][Ring2][C][C][C][C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][C][C] |
CHEMBL12961 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL13111 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL12894 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P] |
CHEMBL12982 | [C][C][Branch1][C][C][N][Branch2][Ring1][S][C][C][C][Branch1][N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL12983 | [C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][N][O] |
CHEMBL12984 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL12985 | [C][C][C][Branch2][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C][=... |
CHEMBL12986 | [C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][=Branch1][C][=O][N][O] |
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