chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4239179 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][Ring2][C][S][C][=Branch1][C][=S][N][C][C][C][C][P][=Branch1][C][=O][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4239180 | [O][=C][Branch1][C][O][C][O][C][=C][Branch1][C][O][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][C][O] |
CHEMBL4239183 | [N][#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][=C][Ring1][P][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239188 | [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][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][Branch1][C][C][C] |
CHEMBL4239190 | [C][C][=C][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch1][N][/C][Branch1][C][C][=N][\O][C][C][C][C][#N][C][=C][Ring1][S][O][C][Ring2][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL4239454 | [C][C][C][C][N][C][C][N][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4239455 | [Cl].[N][C@@H1][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O] |
CHEMBL4239461 | [C][O][C][=C][C][=C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][P][F] |
CHEMBL4239465 | [N][C][=N][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=N][Ring1][#C] |
CHEMBL4239466 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring1][=C][=O][C][=Branch1][C][=O][O] |
CHEMBL4239753 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring1][#C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL4239759 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4239762 | [O][=C][Branch1][O][N][C][C][C][C][C][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] |
CHEMBL4239765 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=N][N][C][Branch1][C][C][C][C][C][=C][Ring1][=N][NH1][Ring1][S][C][=C][Ring2][Ring1][=Branch1][NH1][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C] |
CHEMBL4239767 | [C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=N][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] |
CHEMBL4239768 | [C][C@@H1][Branch2][Ring2][N][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][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][N][C][C][C][Ring1][Ring1] |
CHEMBL4240027 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring1][P][C] |
CHEMBL4240028 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][/N][=N][/C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch2].[Na+1].[Na+1] |
CHEMBL4240029 | [C][C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4240036 | [O][=C][Branch1][P][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Br][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] |
CHEMBL4240307 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][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][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C@@H1][Branch1][C][C][O][C][C][N][C][Ring2][#Branch1][=C][=O] |
CHEMBL4240308 | [C][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring1][=N] |
CHEMBL4240310 | [C][C][=C][C][Branch2][Ring2][=N][S][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#C][O][C][C][=Branch1][C][=O][O] |
CHEMBL4240314 | [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=C][C][C][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1] |
CHEMBL4240318 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][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@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][S][S][C][C@@H1][Branch2][#Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][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][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][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][Ring2][O][#C][=O] |
CHEMBL4240321 | [O][=S][=Branch1][C][=O][Branch2][Ring1][O][N][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4240326 | [N][#C][C][=C][C][=C][Branch2][=Branch1][P][C][O][C][=C][C][=C][Branch2][=Branch1][Ring1][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#C][C][=C][Ring2][Ring2][=N][C][=C][Ring2][Branch1][Branch1] |
CHEMBL4240327 | [C][C][=C][Branch1][=N][N][C][C][C][=Branch1][Ring1][=C][O][C][C][Ring1][Branch2][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch2][=Ring1][=N] |
CHEMBL4240329 | [C][C][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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][S][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4240591 | [O][=C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Ring1][S][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4240593 | [C][C][/C][=Branch2][Ring1][P][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring1][N] |
CHEMBL4240594 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Branch1][Branch1][C][O][P][=Branch1][C][=O][Branch2][Ring2][Ring1][O][C][C@@][Branch1][C][C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][#C][C@][Ring1][#Branch1][Ring1][=N][O][O][Ring1][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][=N][C@@][Ring2][Ring2][O][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4240605 | [C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4240917 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4240920 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][C@H1][Branch1][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] |
CHEMBL4240922 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][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][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4240937 | [C][C][N][/C][=Branch2][Ring1][=C][=C][\C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N] |
CHEMBL4241164 | [Cl][C][=C][C][=C][Branch2][Ring2][C][C][N+1][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O].[Cl-1] |
CHEMBL4241165 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C][=C][C][=C][O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][C][=N][Ring2][Ring1][#C] |
CHEMBL4241167 | [O][=C][Branch2][Ring2][#C][N][C@H1][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][O][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4241170 | [C][C][Branch1][C][C][Branch1][C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] |
CHEMBL4241176 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][O][C][C@@H1][Branch1][C][O][C][N][C][C][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][=C][Ring2][Ring1][#C] |
CHEMBL4241177 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][O][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1][=C][Branch1][C][O][C][=C][Ring2][Ring1][N][O] |
CHEMBL4241180 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=C][N][Branch2][Ring2][#C][C][C][C][C][C][C][C][C][N][Branch1][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=N][C][#C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][=C][N][=N][Ring2][Ring2][#Branch1] |
CHEMBL4241453 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][=C][C][=C][Ring2][Ring1][Ring1][S][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O] |
CHEMBL4241455 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][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] |
CHEMBL4241456 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch1][Ring1][C][O][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring1][S][C@@][Ring1][=C][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4241464 | [O][=C][C][Branch1][C][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][C][N][Ring1][P][Ring1][=Branch1] |
CHEMBL4241469 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring1][#C] |
CHEMBL4241740 | [C][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring1][S][=C][C][C][=N][NH1][C][Ring2][Ring1][=C][=Ring1][Branch1] |
CHEMBL4241742 | [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] |
CHEMBL4241744 | [C][C][C@][Branch1][C][O][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][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@@H1][C@][Ring1][#Branch2][C][C][N][C][C][=C][C@][Branch1][Ring1][C][C][Branch1][=Branch1][C@H1][Ring1][Branch2][Ring1][O][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@][Ring2][Ring1][C][Branch1][C][O][C][=Branch1][C][=O][O][C][C][Ring2][Branch1][Branch1][C][Ring2][Branch1][=Branch2] |
CHEMBL4241747 | [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][C][C][C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4242019 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][Branch1][C][C][C][Ring2][Ring1][#C][=Ring2][Ring1][#Branch1] |
CHEMBL4242024 | [C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][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@H1][Ring2][Ring1][Branch2][S][C][Ring2][Ring1][#C] |
CHEMBL4242028 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][C][Branch1][C][Cl][=C][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4242033 | [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][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][C] |
CHEMBL4242249 | [Cl][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][S][=N][Ring2][Ring1][S] |
CHEMBL4242254 | [O][=C][Branch1][C][O][C][=C][/C][=Branch2][Branch1][=C][=C][\C][=C][C][Branch2][Ring2][=Branch2][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=C][O][C][=C][C][Ring2][Ring2][=Branch1][=O] |
CHEMBL4242255 | [C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4242256 | [C][C][=C][C][=C][Branch2][Branch1][=C][N][N][=C][Branch2][Ring2][Branch2][C][O][C][=Branch1][C][=O][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][C][=C][Ring2][Ring1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4242257 | [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] |
CHEMBL4242261 | [N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4242263 | [C][C][C][=C][Branch1][C][C][N][Branch2][Branch1][=N][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][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring2][Ring1][N][=Ring2][Ring2][=Branch2] |
CHEMBL4242268 | [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][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][C][C][Ring1][S] |
CHEMBL4242542 | [C][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4242544 | [Cl].[N][C][Branch2][Ring2][Ring1][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O] |
CHEMBL4242549 | [O][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O] |
CHEMBL4242551 | [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][C][C][C][C][S][C][=N][C][=C][C][=C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][=C][Ring1][#Branch2][O][Ring1][=N] |
CHEMBL4242828 | [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][Ring1][S] |
CHEMBL4242832 | [C][C][O][N][=C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][C][Ring1][S] |
CHEMBL4242839 | [O][=C][Branch2][Ring1][Ring1][N][C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1] |
CHEMBL4242841 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL4242842 | [C][O][C][C][N][C][=C][Branch2][Ring1][P][C][=N][N][Branch1][=C][C][C][C][C][C][N][Branch1][Ring1][C][#N][C][Ring1][Branch2][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring1][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4243123 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4243124 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=C][Branch1][S][/C][=N][/N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4243129 | [O][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][C][=C][N][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CHEMBL4243130 | [O][=C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][Ring1][=N][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4243382 | [C][N][C][C][C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N][C][C][Ring2][Ring1][C] |
CHEMBL4243391 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][C][N][C][Ring2][#Branch1][C][=O] |
CHEMBL4243392 | [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][Ring1][C][O][N][=N][Ring1][#Branch1] |
CHEMBL4243393 | [C][C][Branch1][C][C][C][C][N][C][=N][N][=N][C][=C][Ring1][=Branch1][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][#C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2] |
CHEMBL4243399 | [C][/C][=C][/C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N] |
CHEMBL4243400 | [C][C][=C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][=Ring1][#Branch1] |
CHEMBL4243404 | [O][=C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][C][Branch2][Ring1][P][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=N][C][=Branch1][C][=O][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=N] |
CHEMBL4243692 | [O][=C][Branch1][C][O-1][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][O][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O][=C][Ring2][Ring1][N].[K+1] |
CHEMBL4243694 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4243697 | [C][O][C][=C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][C][=C][Ring1][=Branch2][=N][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4243938 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4243939 | [N][#C][C][=C][C][=C][Branch2][Ring2][S][C][N][C][C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][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][C][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4243942 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][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] |
CHEMBL4243944 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S] |
CHEMBL4243946 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4244229 | [C][C][=N][C][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][=N][NH1][Ring2][Ring1][S] |
CHEMBL4244232 | [C][C@@][C][C][C@H1][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][O][C][C][C@][Ring1][#C][Branch2][Ring1][Ring2][C][/C][Ring2][Ring1][Ring2][=N][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][#C] |
CHEMBL4244237 | [C][N+1][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=N+1][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][#C][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N].[I-1].[I-1] |
CHEMBL4244238 | [N][#C][C][=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][Ring2][Ring1][Branch2] |
CHEMBL4244242 | [C][N][N][=C][C][C][Branch1][N][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][C][Ring1][#C][Ring2][Ring1][C] |
CHEMBL4244554 | [O][=C][Branch1][Ring1][C][Cl][N][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][=C] |
CHEMBL4244555 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] |
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