chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4237357 | [C][C][C][=C][C][=N][C][=C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][Branch1][Branch1][C][Ring1][P][=O][C][Ring1][P][=Ring1][=N] |
CHEMBL4237360 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=N][N][Branch1][C][C][C][=N][Ring1][N] |
CHEMBL4237361 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4237365 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4237601 | [C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][O][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][C][C][O][C][C@H1][Ring1][=Branch1][O][N][=C][Ring2][Ring1][N][Ring2][Ring1][#C] |
CHEMBL4237606 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4237609 | [N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] |
CHEMBL4237618 | [O][=C][Branch2][Ring2][Ring2][N][C@@H1][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1] |
CHEMBL4237885 | [Br][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P][=C][Ring2][Ring1][Branch2] |
CHEMBL4237888 | [C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][C][C][Ring1][#Branch1][C][C][=C][S][C][=Ring1][Branch1] |
CHEMBL4237899 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2][=C][Branch1][C][O][C][=C][Ring2][Ring1][P][O] |
CHEMBL4237900 | [C][C][Branch1][C][C][N][N][=C][Branch2][Ring2][N][C][#C][C][=C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][=N][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring2][Ring2] |
CHEMBL4237902 | [O][=C][Branch2][Ring2][Branch1][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4237905 | [C][/C][=Branch2][Ring2][Ring2][=C][\C][C][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][O][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4238186 | [O][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][=C][N][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N] |
CHEMBL4238190 | [C][O][C][C][N][C][=C][Branch2][Ring2][=Branch1][C][=N][N][Branch2][Ring1][C][C][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][#N][C][Ring1][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4238192 | [C][C][S][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4238195 | [C][C][=C][C][=C][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][O][C][Branch1][C][N][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][S] |
CHEMBL4238427 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N] |
CHEMBL4238436 | [C][N][C][=C][Branch2][Ring1][S][C][=N][N][Branch1][=N][C][C][C][N][Branch1][Ring1][C][#N][C][C][Ring1][Branch2][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][C][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch1] |
CHEMBL4238437 | [O][C][=N][O][C][=C][C][=C][C][Branch2][Ring1][=C][N][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][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1] |
CHEMBL4238439 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring2][Branch1][N][C][=N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=C][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][S][Ring2][Ring1][Branch1][S][C][Ring2][Ring1][O][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4238440 | [C][N+1][=C][C][=Branch1][#C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][/C][=Branch1][P][=C][\C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][=Branch2].[I-1] |
CHEMBL4238441 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4238717 | [C][O][C][=C][C][=C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][N][O][C][=C][Ring1][N] |
CHEMBL4238720 | [O][=C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][O][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4238724 | [C][C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][/N][=C][/C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][S] |
CHEMBL4238725 | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2] |
CHEMBL4238729 | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][O] |
CHEMBL4239008 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C][C][=C][Ring1][=Branch1][N][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring1][=C][C].[Cl] |
CHEMBL4239011 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][=Ring2][Ring1][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4239013 | [O][=C][N][/C][=Branch2][Ring1][S][=N][\C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][S][/C][Ring2][Ring1][Branch1][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4239015 | [O][=C][Branch1][C][O][C][=C][C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][O] |
CHEMBL4239298 | [Cl][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][N][=C][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1] |
CHEMBL4239299 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][#Branch2][O][C][C][C][=Branch1][C][=O][N][O][=C][Ring1][=C] |
CHEMBL4239300 | [C][C][C][C][N][Branch2][Ring2][Ring1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][=Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4239301 | [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=C][Ring1][P][C][#N] |
CHEMBL4239576 | [Cl].[Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring1][=C][C][O][Ring2][Ring1][Ring1] |
CHEMBL4239578 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Ring2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4239581 | [N][#C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][=C][C][N][=C][Branch2][#Branch1][=C][N][C][=Branch1][C][=O][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][=C][S][Ring2][Ring1][P][S][C][Ring2][#Branch1][O][=Ring2][Branch1][P] |
CHEMBL4239588 | [C][C][C][=C][Branch1][C][C][N][Branch2][Branch1][Ring1][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][N][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][#Branch1][C][Ring1][P][=C][Ring2][Ring1][=N][N][=Ring2][Ring2][Ring1] |
CHEMBL4239589 | [C][=C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4239593 | [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][Branch1][C][C][C][C][=C][Ring1][O][NH1][Ring1][=C][C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][NH1][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
CHEMBL4239597 | [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=C][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][Branch1][Branch2][/C][=C][/C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=Branch2][O] |
CHEMBL4239846 | [C][O][C][C][C][N][C][=N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch1][C][O][C][Ring1][Branch1] |
CHEMBL4239848 | [C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][C][=C][C][=C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][=C][Ring1][=C][Ring2][Ring1][=Branch1] |
CHEMBL4239849 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][#C][Ring1][=Branch1] |
CHEMBL4239850 | [C][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][O][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][Ring1][#Branch2] |
CHEMBL4239851 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring2][Ring1][P] |
CHEMBL4240128 | [C][O][C][=C][C][=N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][Branch1][C][C][C] |
CHEMBL4240133 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][/C][=C][/C][=O] |
CHEMBL4240136 | [C][Si][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4240137 | [C][C][Branch1][C][C][C][C@@H1][Branch1][C][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][C][C][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][C][C][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][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4240139 | [Br][C][=C][C][=C][Branch2][Ring1][=N][/N][=C][\C][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][#Branch1][C][N][Ring1][S][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4240141 | [C][N][C][C][N][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4240419 | [C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4240421 | [C][C][C][C][C][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring2][Ring1][C][=O] |
CHEMBL4240425 | [O][=C][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL4240426 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][C@][Ring1][Branch1][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][Branch1][Ring2][C][Ring1][#C][C@][Ring1][O][C][C][C@@][Ring1][#C][Branch1][Ring1][O][C][C@@][Branch1][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] |
CHEMBL4240429 | [C][N][Branch1][C][C][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
CHEMBL4240435 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4240691 | [O][=C][Branch1][#C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][O] |
CHEMBL4240694 | [O][=C][Branch2][Branch1][Ring1][C][C][C][C][C][C][N][C][=C][Branch2][Ring2][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][N][=N][Ring2][Ring1][#Branch2][N][O] |
CHEMBL4240696 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][C][=N][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4240698 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring1][N] |
CHEMBL4240704 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C@H1][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][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch2] |
CHEMBL4240709 | [O][=C][Branch1][S][N][C][C@H1][Branch1][C][O][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][Branch2][N][C][C][O][C][Ring1][Ring2][=N][C][=N][Ring1][O] |
CHEMBL4240718 | [C][O][C][=C][C][=C][Branch2][=Branch1][Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][S][C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=C][\C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][Ring1][=N][C][S][Ring2][Ring1][Ring2][=C][C][=Ring2][Ring1][=Branch2][N][Ring2][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring2][=Branch2] |
CHEMBL4240720 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4240722 | [O][=C][Branch2][Ring2][N][C][O][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][=Branch2][O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4241011 | [O][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][N][Ring1][S][Ring1][=Branch1] |
CHEMBL4241012 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][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@@H1][Branch1][#Branch1][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@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4241013 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4241014 | [C][C][=C][C][=C][Branch2][Ring1][=C][C@H1][Branch1][C][C][N][C][=C][Branch1][=N][N][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4241017 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring1][=N] |
CHEMBL4241024 | [O][=C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][N][C][C][C][=Branch2][Ring1][=Branch1][=N][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] |
CHEMBL4241272 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=C][C][N][N][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][S][C][Ring2][Ring1][#Branch1] |
CHEMBL4241273 | [N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O] |
CHEMBL4241282 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4241283 | [C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][S][C][C][Ring1][=Branch1] |
CHEMBL4241284 | [C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4241289 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][N] |
CHEMBL4241563 | [O][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][S][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=C][Ring1][=N] |
CHEMBL4241564 | [C][=C][C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O] |
CHEMBL4241568 | [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring1][=C][C][C][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1] |
CHEMBL4241573 | [C][C][C@][Branch1][Ring2][N][=N+1][=N-1][C][C@@H1][C][N][Branch2][#Branch1][#C][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][C][C][=C][C][N][C][C][C@][Ring2][Ring1][=C][Ring2][Ring1][=Branch1][C@@H1][Ring1][Branch1][Ring1][O][C][Ring2][Branch1][Branch1][C][Ring2][Branch1][O] |
CHEMBL4241577 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][=C][C][=C][O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=Ring2][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C][C][=N][Ring2][Ring2][Ring2] |
CHEMBL4241584 | [O][=C][Branch1][C][O][C][C@H1][Branch2][Ring1][=C][C][N][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][#Branch1][C][Ring1][P][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O] |
CHEMBL4241871 | [N][N][C][=N][C][Branch1][Ring1][N][N][=N][C][Branch2][Ring2][=Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][=N][Ring2][Ring1][P] |
CHEMBL4241877 | [O][=C][Branch1][#C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4241879 | [C][=C][C][=C][Branch1][C][C][C][=C][C][=N][C][=Branch2][Branch1][#Branch1][=C][C][NH1][C][Branch2][Ring1][P][C][=C][N][=C][Branch1][=Branch2][C][=C][Ring2][Ring1][C][NH1][Ring1][S][C][Branch1][C][C][=C][Ring1][=Branch2][C][Branch1][C][C][O][C][C][C][C][C][C][=C][Branch1][C][C][C][=Ring2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][O-1][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][=C][Ring2][Ring2][=Branch2][C].[Na+1].[Na+1] |
CHEMBL4241885 | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][N][C][=C][Branch1][C][C][C][=N][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][O] |
CHEMBL4241887 | [F][C][=C][C][=C][C][Branch2][Ring1][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CHEMBL4241888 | [O][=C][Branch1][P][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4242113 | [O][=C][Branch2][Ring1][#C][/C][=C][/C][=C][C][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4242114 | [C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4242118 | [C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][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@@H1][Branch1][#Branch1][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@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][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][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL4242122 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4242123 | [C][O][C][=C][C][Branch2][Ring1][Ring2][/C][=C][\C][=Branch1][C][=O][O][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4242124 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] |
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