chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL4294345 | [C][C][C][C][O][C][C][=C][Branch1][Branch2][/C][=C][/C][Branch1][C][C][=O][C][=N][C][Branch1][C][C][=C][Ring1][N][O][Ring1][S] |
CHEMBL4294346 | [C][C][N][=C][NH1][C][=Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294347 | [N][#C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][O][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring1][P] |
CHEMBL4294432 | [C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N] |
CHEMBL4294433 | [C][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4294434 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][=O][C@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][Branch1][C][C][C] |
CHEMBL4294435 | [C][O][C][=C][C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][C][=Branch1][S][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][Ring1][N][C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@H1][Branch1][Branch1][C][Ring2][Ring2][Branch1][N][Branch1][C][C][C][C][Ring1][Branch2] |
CHEMBL4294436 | [F][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][C][=C][Ring2][Ring1][C][F] |
CHEMBL4294437 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][Branch1][C][C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][=C][C][C][Ring2][Ring2][Ring1] |
CHEMBL4294438 | [C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][O][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4294439 | [C][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][Cl] |
CHEMBL4294528 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Branch1][C][C][C][Branch1][Ring1][C][=O][=C][Ring1][O][O] |
CHEMBL4294529 | [O][=P][Branch1][C][O][Branch1][C][O][C][O][C@H1][C][N][C][C@H1][Ring1][Branch1][N][C][=N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL4294530 | [C][N][N][=N][C][=C][Ring1][Branch1][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4294531 | [C][N][N][=N][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][=C][Ring1][#C][Ring2][Ring1][C] |
CHEMBL4294614 | [O][C][=C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][C][=C][Ring1][O][C][=C][C][=C][Branch1][P][N][C][C][C][Branch1][Branch2][C][C][C][N][C][Ring1][=Branch1][C][Ring1][#Branch2][N][=N][Ring1][S] |
CHEMBL4294615 | [C][C][Branch1][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2] |
CHEMBL4294616 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4294617 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4294618 | [C][C][C][C][C][=N][C][Branch1][C][C][=C][Branch1][=C][C][C][=Branch1][C][=S][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4294702 | [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=Branch2] |
CHEMBL4294703 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4294704 | [O][=C][Branch2][Ring1][=C][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4294705 | [C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294706 | [O][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Branch2][Branch2][C][=C][C][=C][Branch2][#Branch1][N][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][=Branch1][Branch2][C][=C][C][=C][Branch2][Branch1][N][C][=C][N][Branch2][Ring2][P][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=N][N][=N][Ring2][Branch1][C][C][=C][Ring2][Branch1][P][O][C][=C][C][=C][C][=C][Ring2][#Branch1][Ring1][Ring1][=Branch1] |
CHEMBL4294707 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][#Branch2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][O][C][C][C@][Ring2][Ring1][S][Ring2][Ring2][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][P][=O] |
CHEMBL4294783 | [C][O][C][=C][C][O][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4294784 | [C][C][N][C][=Branch1][C][=O][C][=Branch2][Ring1][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4294785 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring2][Ring1][C] |
CHEMBL4294786 | [C][C][N][C][=C][Branch1][Ring1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][/C][=C][\C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][=Branch2] |
CHEMBL4294787 | [S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][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][Ring2][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] |
CHEMBL4294870 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][O][Ring1][=C][S][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4294871 | [O][=C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br][N][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=N][Ring1][N] |
CHEMBL4294872 | [C][O][C][=C][C][Branch2][Ring1][O][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4294873 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4294964 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@][Branch2][Ring1][P][C][N][C][C][N][C][=Branch2][Ring1][Ring2][=C][C][=C][Branch1][O][N][C][=N][C][Branch1][C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Ring1][P][=O][C][C@@H1][Ring2][Ring1][=Branch1][C][O][Ring2][Ring1][O] |
CHEMBL4294965 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL4294966 | [C][C][C][C][C][C][C][Branch1][C][N][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch1][#Branch2][C][C][C][O][N+1][=Branch1][C][=O][O-1][Branch1][Ring2][C][Ring1][#C][C][Ring2][Ring1][C] |
CHEMBL4294967 | [C][C@H1][Branch2][Branch1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring2][=Branch1][C][N][C][=N][C][=C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][=C][Ring1][#Branch2][N][Branch1][C][C][N][=C][Ring1][S][C][Ring2][Ring1][Ring2][=O][C][C][Ring2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294968 | [C][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL4295050 | [C][C][Branch1][C][C][C][C][C][=C][C][=C][O][C][=N][C][Branch1][C][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CHEMBL4295051 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][#C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C@][Ring2][Ring1][O][Ring2][Ring1][S][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][N][=O] |
CHEMBL4295052 | [C][O][C][=N][C][=C][Branch2][Ring1][C][C][C][=C][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=Ring1][O][C][=C][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4295053 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][Branch1][Ring1][C][#N][=C][Branch1][=Branch2][/N][=C][/O][C][Branch1][C][C][=O][N][C][NH1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4295054 | [C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][#Branch2][Ring1][#Branch2] |
CHEMBL4295137 | [C][N][Branch1][C][C][C@H1][C][C][C@H1][Branch1][#C][N][C][=N][C][=N][C][C][=C][O][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][S] |
CHEMBL4295138 | [C][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL4295139 | [C][C][Branch2][Ring2][N][N][C][=C][C][Branch1][O][N][C][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4295140 | [C][O][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][=C][Ring2][Ring1][Ring1][C][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C] |
CHEMBL4295141 | [C][S][C][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O] |
CHEMBL4295142 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4295218 | [N][#C][C][=N][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4295219 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4295220 | [O][=C][Branch2][Ring2][N][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4295221 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CHEMBL4297294 | [O][=C][Branch1][O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][O][Ring1][Branch2][C][C][Ring2][Ring1][C] |
CHEMBL4297296 | [C][/C][=C][/C][C@@H1][Branch1][S][/C][Branch1][C][C][=C][/C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][/C][Ring2][Ring1][P] |
CHEMBL4297297 | [C][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][=N][C][=Branch1][C][=O][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][N][Ring1][#C] |
CHEMBL4297465 | [C][S][=Branch1][C][=O][=Branch1][C][=O][O].[O][=C][Branch2][Ring2][Ring1][N][C][C@H1][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][O][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CHEMBL4297466 | [C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][C][S][S][C][C@H1][Branch2][=Branch1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][Ring2][Branch1][O][=O] |
CHEMBL4297467 | [N][C][=C][C][=C][Branch2][=Branch1][Branch1][/C][=C][/C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][Ring1][S][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=N][O][Ring2][Ring1][S][C][=N][Ring2][Ring2][N] |
CHEMBL4297468 | [C][O][C][=C][C][=C][Branch2][Branch1][N][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C@@][Branch1][C][C][C][O][Ring1][Ring2][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4297469 | [C][C][=C][C][Branch1][C][C][=C][Branch2][=Branch1][=N][C][=C][C][=C][Branch2][Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=C][Ring2][Ring2][#Branch2][C][Branch1][C][C][=C][Ring2][Branch1][C] |
CHEMBL4297476 | [C][C@@H1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][Ring1][C][#N][=N][C][=C][C][Ring1][Branch2][=C][Ring1][N][C][Ring2][Ring1][Ring2] |
CHEMBL4297477 | [C][N][C][=C][Branch2][Ring2][=Branch2][N][C][=N][C][=C][C][Branch2][Ring1][N][N][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][F][F][=N][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][O] |
CHEMBL4297482 | [C][C][=C][C][=Branch1][=Branch1][=N][N][Ring1][Branch1][C][C][S][C][C][C][=C][Branch1][Branch2][N][Branch1][C][C][N][=Ring1][=Branch1][C][S][C][=C][C][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][C][C][C][=C][Ring2][Ring2][#Branch1][C][Branch1][C][Cl][=C][C][=C][Ring1][=C][Ring1][#Branch1] |
CHEMBL4297483 | [C][N][Branch2][Ring2][P][C][C][C][N][N][=N][C][=C][C][Branch2][Ring1][N][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][N][=Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C@H1][C][C][C@H1][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Branch1] |
CHEMBL4297484 | [C][O][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Ring1][=Branch2][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][Ring1][=C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4297495 | [C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][C][131I][C][=C][Ring1][#Branch1] |
CHEMBL4293923 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring2][S][C][Branch2][Ring1][Ring2][C][=C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][O][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=C][N][Ring2][Ring1][=C][C] |
CHEMBL4293924 | [C][C][Branch1][C][C][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=N][Ring2][Ring1][C] |
CHEMBL4293925 | [F][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][N][=C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring1][S][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4293926 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][S][C][=C][Ring1][=N][C][C][C][C][Ring1][=Branch1] |
CHEMBL4293996 | [C][O][C][=C][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4293998 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][S][C][=C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4293999 | [O][=C][Branch2][Ring1][#C][C][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][O] |
CHEMBL4294000 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][Ring2][Ring1][=C][C][=Ring2][Ring1][P][C] |
CHEMBL4294001 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][=Branch1] |
CHEMBL4294002 | [C][O][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][C][=C][Ring1][=Branch2][C][=Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4294079 | [C][C][C][C][C][C][C][N][C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL4294080 | [O][=C][Branch2][Ring1][=C][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P][C][C][C][C][Ring1][Ring2] |
CHEMBL4294081 | [C][C][Branch1][C][C][=C][C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][O][N][=Ring2][Ring1][C] |
CHEMBL4294082 | [N][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C@H1][C][C@H1][Branch1][N][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4294083 | [C][#C][C][=C][C][=C][Branch2][Branch1][Ring2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch2][Ring1][O][C][C][C][C][=C][C][Branch1][N][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][=N][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring2][Ring2][Cl] |
CHEMBL4294084 | [C][O][C][=Branch1][C][=O][C][=C][C@H1][Branch2][Branch1][P][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C@H1][Ring2][Ring1][=C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Branch1][C] |
CHEMBL4294167 | [C][O][C][=C][C][Branch2][Ring2][Ring1][C][N][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4294168 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4294169 | [C][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C@][Branch1][C][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][=O][C@@][Ring1][=Branch2][Branch1][C][C][C][C][=Branch1][C][=O][C@@][Ring1][#C][Branch1][C][C][C@@H1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@][Ring1][=Branch2][Ring2][Ring1][O][O] |
CHEMBL4294170 | [C][O][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4294171 | [N][C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][C][=Ring1][#Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4294260 | [Cl].[O][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4294261 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL4294262 | [C][O][C][=Branch1][C][=O][C][=C][C@H1][Branch2][=Branch1][=N][N][C][=C][Branch2][=Branch1][C][C][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C@H1][Ring2][Ring1][=C][O][N][=N][Ring2][Ring2][Branch2][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch2][Ring1][#Branch2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O][O][Ring2][Branch1][P] |
CHEMBL4294263 | [C][C][O][C][Branch1][N][C@H1][N][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][O][=C][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Branch1][Ring1][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C@H1][N][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][O][O][C][=Ring1][N][C][N][=N][Ring2][Ring1][=Branch1][N][=N][Ring2][Ring2][#Branch1] |
CHEMBL4294264 | [C][O][C][=C][C][=N][C][=N][C][Branch2][Ring2][#Branch2][N][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=N][NH1][Ring1][S][C][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4294265 | [C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][=C][C][O][/N][=C][/C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch2][Cl] |
CHEMBL4294266 | [C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch1][C][Branch1][C][C][C] |
CHEMBL4294267 | [C][O][C][=C][C][=C][C][Branch2][#Branch1][Ring2][C][O][C][=C][Branch2][Branch1][#C][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][C][C][C][=C][N][Branch2][Ring2][Ring1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][P][=O][=C][Ring2][Branch1][#Branch2] |
CHEMBL4294348 | [N-1][=N+1][=N][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P] |
CHEMBL4294349 | [C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@@][Branch1][C][C][C][C@@][Ring1][#Branch1][Branch2][Ring1][=N][C][=C][Ring1][=Branch1][C][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][N][=N][Ring1][=C][C][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][P] |
Subsets and Splits
No saved queries yet
Save your SQL queries to embed, download, and access them later. Queries will appear here once saved.