chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL11677 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl] |
CHEMBL11967 | [C][S][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11700 | [C][C][N][Branch1][Ring1][C][C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11702 | [C][C][/C][=Branch2][Ring2][C][=C][Branch2][Ring1][=Branch1][/C][C][=C][C][=C][Branch1][O][O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11996 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][S][=C][\C][C][C][S][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL11724 | [N][#C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N] |
CHEMBL11725 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring2][C][N... |
CHEMBL11726 | [C][C][C@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch1][#C][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL11727 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL11728 | [C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL11729 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][O][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
CHEMBL11655 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1][=C] |
CHEMBL11656 | [O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch2][N][C][N][=C][N][=C][C][=Branch1][O][=C][Branch1][C][O][N][Ring1][#Branch1][N][=Ring1][#Branch2][C][C][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL11657 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11658 | [C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL11678 | [C][C][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][Branch1][C][C][=C][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL11862 | [O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][N][C][C][Ring1][=Branch2] |
CHEMBL11768 | [F][C][=C][C][=C][Branch2][Ring2][N][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][O][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL11769 | [C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] |
CHEMBL11770 | [C][=C][C][N][C][C][C@@H1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C@H1][Ring1][N][Ring1][#C] |
CHEMBL11771 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@@H1][Ring1][=Branch2][C][Ring1][=N] |
CHEMBL1163385 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][S+1][Branch1][C][O-1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][=Branch1] |
CHEMBL11704 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11789 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl][C][C][Ring2][Ring1][Branch2] |
CHEMBL11790 | [C][N][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][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=N][C][C][NH1][C][Branch2][Ring1][N][C][C][NH1][C][Branc... |
CHEMBL11791 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL11792 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][Branch2][=C][\C][C][C][C][C][O][C][=Branch1][C][=O][O] |
CHEMBL11730 | [C][N][Branch1][C][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL11812 | [O][=C][Branch2][Ring1][=C][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][O] |
CHEMBL11813 | [O][=C][C][=N][N][Branch2][Ring1][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][S][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1] |
CHEMBL11814 | [C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL11815 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL1163387 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][C] |
CHEMBL11745 | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N][O] |
CHEMBL11748 | [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1]... |
CHEMBL1075952 | [C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][... |
CHEMBL4560015 | [C][C][#C][C][=N][C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][P] |
CHEMBL11749 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][N][=N][Ring1][Branch1] |
CHEMBL11750 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch2] |
CHEMBL11773 | [C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][N][Ring1][O][C] |
CHEMBL11856 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][C][C][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL11857 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL11858 | [C][O][N][Branch2][Ring1][C][/C][=C][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL1163393 | [C][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C][=Branch2][=Branch2][N][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Branch2][Ring2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][C][Branch2][=Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][... |
CHEMBL11860 | [S][=C][N][C][C][N][Ring1][Branch1] |
CHEMBL11793 | [N][#C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL1163391 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][S][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][Branch1] |
CHEMBL11882 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1][=C] |
CHEMBL11883 | [C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11884 | [C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL11816 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL11901 | [C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][Ring1][C][O][N][Ring1][#C] |
CHEMBL1163395 | [C][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][O] |
CHEMBL11903 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][C][Ring1][S][=O][C][=C][Ring2][Ring1][Branch2] |
CHEMBL11904 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][Branch2][=C][\C][C][C][C][C][Br][C][=Branch1][C][=O][O] |
CHEMBL11917 | [C][/C][=C][Branch2][Ring1][#Branch2][\N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CHEMBL11918 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][=C][=C][\C][C][C][C][C][S][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O] |
CHEMBL11919 | [C][C@H1][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL11920 | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][Br][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N][O] |
CHEMBL1163394 | [O][=C][C][Branch1][C][Cl][=C][Branch1][Branch1][S][C][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL1789128 | [C][C][Branch1][C][C][C][C@@H1][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][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][S][S][C][C@@H1][Branch2][Branch2][O][C][=Branch1][C][=O][N][C][C][C][C@H... |
CHEMBL11944 | [C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][C][O][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N][C][=C][Ring2][Ring1][O] |
CHEMBL11945 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL11946 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][P] |
CHEMBL11947 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL11885 | [O-1][S+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][NH1][Ring1][Branch1] |
CHEMBL11886 | [N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL11887 | [C][O][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11968 | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][N][Branch1][S][C][C][C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][=C][Ring1][=Branch2][C][C@H1][Ring1][P][C] |
CHEMBL11969 | [C][C][Branch1][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11970 | [O][=C][C][=N][N][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch2] |
CHEMBL11905 | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N][O] |
CHEMBL11997 | [C][O][C][=Branch1][C][=O][C][S][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11998 | [C][C][=Branch1][C][=N][N][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][#C] |
CHEMBL11999 | [C][/C][=C][Branch1][=N][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12000 | [C][/C][=C][Branch1][=N][\N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12001 | [C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][=Branch1][C][=O][O] |
CHEMBL11660 | [C][C][=C][N][Branch1][Branch2][C][O][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][NH1][C][Ring1][=C][=O] |
CHEMBL11661 | [C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Br][Br][C][=Branch1][C][=O][O] |
CHEMBL11662 | [O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N] |
CHEMBL11663 | [C][C][/C][=Branch2][Ring1][P][=C][Branch1][#Branch2][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11664 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O] |
CHEMBL11751 | [N][#C][C][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][S][C][=Ring2][Ring1][Ring2][N] |
CHEMBL11948 | [C][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL11949 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C] |
CHEMBL11682 | [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O... |
CHEMBL11683 | [C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=S] |
CHEMBL11684 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C@H1][Ring2][Ring1][Ring1][O] |
CHEMBL11687 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C] |
CHEMBL11971 | [C][N][Branch2][Ring1][=N][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O] |
CHEMBL11972 | [C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL11973 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][#Branch1] |
CHEMBL11705 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] |
CHEMBL11706 | [C][C][C][C][C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][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][Branch1][S][C][N][C][C][C][Branch1][C][C]... |
CHEMBL11707 | [O][=C][Branch1][C][O][C][N][C][C][C][C][Branch1][Ring1][C][S][C][Ring1][Branch2][=O] |
CHEMBL12002 | [C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL12003 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11731 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring2][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][C][=C][S][C][=Ring1][Branch1][C][C][C][C][Ring2][Ring1][C] |
CHEMBL11732 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][N][O] |
CHEMBL11733 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][Branch1][Ring1][C][#N][N][C][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][O][C][O][Ring1][=Branch2] |
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