chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4277191 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][S][Ring1][S][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277192 | [C][C][C][C][C][=N][C][=C][Branch2][Ring1][O][C][C][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N-1][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][Ring2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N-1][N][=Ring1][Branch1][C][=C][Ring1][P].[K+1].[K+1] |
CHEMBL4277193 | [C][O][C][=C][C][=C][Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch1][Ring2][N][C][#N][C][=C][C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4277194 | [C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][C][C][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][C][Branch2][Ring2][=N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][=C][Ring2][Ring2][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277282 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring1][N][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][S][Ring2][Ring1][N] |
CHEMBL4277283 | [C][C][C][C][C][C][C][C][N+1][=N][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O].[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4277284 | [O][=C][Branch2][Ring1][N][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] |
CHEMBL4277285 | [C][C][C][=C][Branch2][Ring2][=Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][N][S][C][=Ring2][Ring1][=C][C] |
CHEMBL4277286 | [F][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][F][=C][Ring2][Ring1][Branch2] |
CHEMBL4277287 | [C][C][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][Branch2] |
CHEMBL4237333 | [C][C][C@@H1][Branch2][Ring2][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4237334 | [O][=C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][O][NH1][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4237335 | [O][=C][C][C][C][C][N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4237338 | [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][Ring2][=C][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][Ring1][C][O][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4237340 | [C][N][C][=C][Branch2][Ring1][P][C][=N][N][Branch1][=C][C][C][C][C][N][Branch1][Ring1][C][#N][C][C][Ring1][Branch2][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring1][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4237572 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4237573 | [C][C][C@][Branch1][C][O][C][C@@H1][C][N][Branch2][#Branch1][#Branch1][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][=Branch1][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][=Branch2][C@@H1][C][C][C][N][C][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][C][C][Ring1][=Branch2][Ring1][Branch1][C][Ring2][Ring2][P][C][Ring2][Branch1][Branch1] |
CHEMBL4237576 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4237578 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][Branch1][N][N][C][C][C][Branch1][Ring1][C][N][C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4237581 | [C][C][=C][S][C][Branch2][Branch1][#Branch1][C@H1][Branch2][Ring1][S][C][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch1][S][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][S][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=C][Ring2][Ring2][Ring2] |
CHEMBL4237818 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4237824 | [C][C][=C][Branch1][C][N][N][=C][Branch2][Ring1][Branch1][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][C@H1][Branch1][C][N][C][Branch1][C][N][=O][N][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch2][Ring2][#Branch1][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][N][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][N][=C][S][Ring2][Ring1][#Branch2][=C][S][Ring2][Ring1][#C][C@@H1][Branch1][C][C][O][C@@H1][Branch2][Ring2][N][O][C@@H1][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Ring1][=N][O][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL4237833 | [C][O][C@H1][/C][=C][\C][=C][Branch1][C][/C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][C][Branch2][Ring2][Branch2][N][C][C][#C][C][C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@][Ring1][#C][Branch1][C][C][C@H1][Ring2][Ring1][Ring1][O][=C][Branch2][Ring2][Ring1][C][C@@H1][Branch1][C][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Ring2][Branch1][Branch2][O][C][Branch1][C][N][=O][C][Ring2][Branch1][Ring2][=O] |
CHEMBL4237835 | [O][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][S][Ring1][=Branch1] |
CHEMBL4237836 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4237839 | [C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring2][C][S][C][Ring2][Ring2][=Branch2] |
CHEMBL4237843 | [C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][S][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2] |
CHEMBL4237854 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C@@][Branch1][Ring1][O][C][C][C][C@@][Branch2][Ring1][C][C][C@][Ring1][Branch2][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@@H1][Branch1][Branch1][C][Ring2][Ring1][=Branch1][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C@][Ring2][Ring1][=N][Ring2][Ring1][#Branch2][Ring2][Ring1][Ring2] |
CHEMBL4238142 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][N][=N][C][Branch1][C][O][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL4238143 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][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][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL4238146 | [C][O][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4238147 | [C][C@@H1][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][Branch1][Ring2][C][C][N][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch2][C][C][C][Ring1][Ring1] |
CHEMBL4238159 | [C][=C][C@][Branch1][C][C][C][C@@H1][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][Branch1][C][C][C][C@][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Branch1][N][C][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][Ring1][N][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring2][Branch1][O] |
CHEMBL4238163 | [O][C][C@H1][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][C][O] |
CHEMBL4238393 | [C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=Branch1][S][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4238394 | [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][N][=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][Ring2][Ring1][Ring2][NH1][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4238397 | [C][C][=C][C][Branch2][Branch1][Branch1][N][C][=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][=N][O][Ring2][Ring2][Branch1] |
CHEMBL4238400 | [C][S][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][O][C@H1][O][C][C][C@@H1][Ring1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL4238401 | [C][C][Branch1][C][C][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CHEMBL4238404 | [O][=C][C][=C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4238687 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][C][C@@H1][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4238688 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=C] |
CHEMBL4238696 | [O][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][N][O][C][C][N][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][#C][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C] |
CHEMBL4238698 | [C][C][=C][S][C][Branch2][Ring2][=C][N][C][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][/N][=C][/C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][Ring2][Ring2][C] |
CHEMBL4238968 | [C][C][Branch1][C][C][C][C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4238970 | [C][C@H1][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][#C][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4238971 | [N][#C][C][C][C][C][C][N][C][=C][Branch2][Ring2][=Branch1][C][=C][Branch2][Ring1][#Branch1][C][=C][N][Branch1][Branch2][C][C][C][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][S] |
CHEMBL4238973 | [C][S][C][C][C@H1][Branch2][=Branch1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][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][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][N][=O] |
CHEMBL4238976 | [C][N][C][C][N][Branch2][=Branch1][C][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][NH1][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P][C][C][Ring2][Ring2][=Branch2] |
CHEMBL4238978 | [C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C@][Branch1][C][C][C][C][C@@H1][Branch1][C][I][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][#Branch2][C][Ring1][#C] |
CHEMBL4238982 | [Cl][C][=C][C][=C][NH1][C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4239248 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4239258 | [C][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] |
CHEMBL4239260 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S] |
CHEMBL4239262 | [C][N][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=N][N][=C][S][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][=N] |
CHEMBL4239268 | [N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N+1][Branch2][Ring2][=Branch1][C][C][C][C][C][C][=C][N][=N][N][Ring1][Branch1][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring2][Ring2][=N][Ring1][#Branch1] |
CHEMBL4239269 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4239274 | [N][=C][Branch2][Branch1][#Branch2][C][=C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][=C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Ring2][Ring1][#Branch1][NH1][C][Ring2][Ring1][N][=C][Ring2][Ring1][S][N][C][C][=C][C][C][Ring1][=Branch1] |
CHEMBL4239539 | [Cl].[N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239541 | [C][C][=C][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch1][S][/C][Branch1][C][C][=N][/O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][C][O][C][Ring2][Ring1][#Branch1][Branch1][C][C][C] |
CHEMBL4239551 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][N][=N][N][Ring1][Branch1][C][C][C][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1] |
CHEMBL4239555 | [C][=C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C] |
CHEMBL4239812 | [N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][N][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][=C][Ring1][=N][N][Ring2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4239814 | [C][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][C][C@][Ring1][=N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239817 | [O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4239818 | [O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239823 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][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] |
CHEMBL4239825 | [O][=C][Branch2][Ring2][C][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][O][C][C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring1] |
CHEMBL4240095 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][S][Ring1][=Branch1] |
CHEMBL4240097 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][N][Ring1][O][O][C][=C][Ring2][Ring1][C][C][#N] |
CHEMBL4240100 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][S][S][C][C@H1][Branch2][=Branch1][Branch1][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][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][Branch1][C][N][=O][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch1][Branch2][=O] |
CHEMBL4240103 | [N][#C][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] |
CHEMBL4240105 | [C][O][C][=C][C][=C][C][Branch2][Branch1][Ring1][N][C][Branch2][Ring2][C][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][S][=C][Ring2][Ring2][=Branch1] |
CHEMBL4240109 | [N][#C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4240381 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][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][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4240382 | [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][=C][C][C][N][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N] |
CHEMBL4240383 | [N][N][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4240389 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][C][=C][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring1][=C][Ring2][Ring1][Ring1] |
CHEMBL4240392 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4240668 | [C][N][Branch1][C][C][C][C][C][N][C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][O][Ring1][=N] |
CHEMBL4240669 | [C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1][C] |
CHEMBL4240671 | [C][C][=C][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][C][/C][Branch1][C][C][=N][/O][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][C][O][C][Ring2][Ring1][#Branch1][Branch1][C][C][C] |
CHEMBL4240676 | [C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Branch2][Ring1][#Branch1][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] |
CHEMBL4240979 | [O][=C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][O][=C][Ring1][=Branch2] |
CHEMBL4240983 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][C][C][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL4240984 | [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][N][=C][\C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4240985 | [C][=C][C][C][C@H1][Branch1][C][C][C@@][Branch1][C][C][Branch1][#C][C][C][C][=C][C][Branch1][Ring1][O][C][O][C][Ring1][#Branch1][=O][C][/C][=C][\C][=C][-/Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4241223 | [2H][C][Branch1][C][2H][Branch1][C][2H][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][=Branch1] |
CHEMBL4241226 | [C][C][=C][C][Branch1][C][C][=C][N][=C][C][Branch1][C][Br][=C][C][=C][Branch1][C][O][C][Ring1][Branch2][=N][C][Ring1][N][=C][Ring1][P] |
CHEMBL4241233 | [C][C][Branch1][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][#Branch2][C][C][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][#Branch2][C][C][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][#Branch2][C][C][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] |
CHEMBL4241236 | [O][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][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] |
CHEMBL4241237 | [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] |
CHEMBL4241245 | [N][C][=Branch1][C][=O][C][=C][NH1][C][=N][N][=N][C][Branch1][C][O][=C][Ring1][#Branch2][Ring1][#Branch1] |
CHEMBL4241527 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][Branch1][C][Cl][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4241528 | [O][=C][Branch2][Ring1][=N][O][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] |
CHEMBL4241532 | [C][C][=N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][Ring1][S] |
CHEMBL4241533 | [O][=C][Branch2][Ring1][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Ring1][O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4241807 | [O][=C][Branch2][Ring2][#Branch1][C][C][C][C][C][N][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][S][=O][N][O] |
CHEMBL4241822 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C@@H1][C][C][=Branch1][C][=O][C][=C][Branch1][P][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4241824 | [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] |
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