chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL13985 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][P][O][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][N][=C][Ring1][S][C][=C][Ring2][Ring2][C][Ring2][Ring1][=C] |
CHEMBL13986 | [C][C][C][C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C] |
CHEMBL13987 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][Ring1][=N] |
CHEMBL14081 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][N][C][Branch1][C][N][=O][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2] |
CHEMBL14082 | [C][C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][Ring1][=N] |
CHEMBL13908 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] |
CHEMBL13909 | [C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CHEMBL541 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13917 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL13938 | [C][N][C][C][Branch1][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL13939 | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Branch1][/C][=C][/C][O][C][=C][Ring1][#Branch2] |
CHEMBL13940 | [C][C][C][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] |
CHEMBL13941 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][O][C][C][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL13942 | [C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CHEMBL14032 | [C][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][N][Branch1][C][C][C] |
CHEMBL14064 | [C][C][Branch1][C][C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][S][C][Ring2][Ring1][Ring2][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4543261 | [C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] |
CHEMBL14155 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL14156 | [C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL14157 | [C][S][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C] |
CHEMBL14158 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#C][O][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][Ring2][Ring1][#Branch2] |
CHEMBL14084 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch2][Ring2][=Branch1][C][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O][C][C][Branch1]... |
CHEMBL14085 | [C][C][C][C][C][C][O] |
CHEMBL14176 | [C][C][Branch1][C][C][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][=Ring1][S][C][Ring2][Ring1][Ring2][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4543273 | [C][=C][Branch1][C][C][C][N][C][C][C][Branch1][N][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][=N] |
CHEMBL4543274 | [C][C][N][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][C][N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL13918 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][Ring1][N] |
CHEMBL14005 | [C][C][C][C][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1].[Cl] |
CHEMBL14006 | [C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CHEMBL14007 | [C][C][C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2].[Cl] |
CHEMBL14009 | [C][C][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2].[Cl] |
CHEMBL14010 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2] |
CHEMBL14011 | [C][C][N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1].[Cl] |
CHEMBL14013 | [C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL14033 | [C][C][C][C][C][=Branch1][O][=N][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL14034 | [C][C][C][C][C][=Branch1][O][=N][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL14035 | [C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C] |
CHEMBL14129 | [C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL14242 | [C][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][S] |
CHEMBL539 | [C][C][=Branch1][C][=O][O] |
CHEMBL4543307 | [N][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4543308 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4543309 | [C][C][C][C][=Branch1][C][=O][C][C][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring1][C][C][=C][N][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]... |
CHEMBL14243 | [N][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][=C] |
CHEMBL14245 | [C][C][C][C][O] |
CHEMBL14246 | [C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][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] |
CHEMBL14263 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][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][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O] |
CHEMBL14264 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=Branch1][N][=C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][S] |
CHEMBL13984 | [C][C][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=N][=O] |
CHEMBL542 | [N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
CHEMBL14104 | [C][C][C][N][Branch1][=C][C][C][Se][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P] |
CHEMBL14105 | [C][N][Branch1][C][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CHEMBL14106 | [N][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][=C] |
CHEMBL14107 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL14108 | [C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][C][=Ring1][Branch2][C][Ring2][Ring1][=C][=O] |
CHEMBL14109 | [C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL14130 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL14131 | [C][C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][Se][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL14132 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][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][C][=C][C][=C][Ring1][=Branch1][C]... |
CHEMBL14134 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring1][O][C][Branch1][C][N][=O] |
CHEMBL14247 | [C][C][Branch1][C][C][Branch1][C][N][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=N][=O] |
CHEMBL14248 | [C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL13967 | [C][C][N][C][=Branch1][C][=O][/C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C] |
CHEMBL13968 | [C][C][C][C][N] |
CHEMBL13969 | [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][O][Ring1][S] |
CHEMBL13487 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch2][Ring1][S][=C][/C][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=S+1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring2][Ring1][O].[Cl-1] |
CHEMBL13488 | [O][=C][Branch2][Ring2][Branch2][N][C][C][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2]... |
CHEMBL13489 | [C][C][C][C][C][/C][=C][Branch1][N][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C] |
CHEMBL13490 | [C][C][C][C][C][C][C][C][/C][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C] |
CHEMBL14207 | [C][O][C][=Branch1][C][=O][C][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][O][C][Ring2][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL14208 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL14209 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
CHEMBL14210 | [C][=C][C][=C][Branch1][#Branch2][C][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][=N] |
CHEMBL14211 | [C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL14222 | [C][C][Branch1][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][P][C][Ring2][Ring1][Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL14223 | [C][C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL14224 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][S][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][=Branch2][C][C][=C][C][Ring1][Ring2][Ring1][Branch2][C][Ring1][#Branch2][C][Ring1][=C][=O][C][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][N] |
CHEMBL13943 | [C][O][C][=C][C][=C][Branch1][Branch1][/C][=C][/C][O][C][=C][Ring1][#Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C] |
CHEMBL13945 | [C][C][Branch1][C][C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring2][Ring1][Branch1] |
CHEMBL13946 | [C][C][C][C][C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2].[Cl] |
CHEMBL13970 | [O][=C][Branch1][C][O-1][C][Branch1][#C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][Ring1][=N].[Na+1] |
CHEMBL13972 | [N][#C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL14065 | [C][C][=C][C][=C][Branch2][Ring1][N][N][N][=C][C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][#Branch1][C] |
CHEMBL14066 | [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][=Branch2][N][Ring1][Branch1][C][Ring2][Ring1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C] |
CHEMBL13593 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring1][O][C][=Branch1][C][=O][N][C] |
CHEMBL13594 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][C@H1][N][C][=Branch1][C][=O][/C][=C][/C][C@@H1][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][N][C][Ring2][Ring1][S][=O][C][=C][Ring2][Ring2][Branch2][Cl] |
CHEMBL13595 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][P][O][C][O][Ring1][#Branch1] |
CHEMBL13596 | [C][C][Branch1][C][C][N][C][Branch1][C][S][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1] |
CHEMBL13597 | [C][S][C][=C][C][=C][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][Ring1][N][=C][Ring1][S] |
CHEMBL13599 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1] |
CHEMBL13600 | [C][C@@H1][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=N][=O] |
CHEMBL13919 | [C][C][C][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][=Branch2][N][Ring1][Branch1][C][Ring2][Ring1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C] |
CHEMBL13920 | [C][#C][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL13921 | [C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P] |
CHEMBL13922 | [O][C@H1][C][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O] |
CHEMBL13923 | [C][C][Branch1][C][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][N][C][Ring1][=N][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL13948 | [C][C][=Branch1][C][=O][O].[C][C][N][Branch2][Ring1][C][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch... |
CHEMBL14039 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] |
CHEMBL14040 | [C][N][Branch1][C][C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL14041 | [Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][=C][Ring1][S] |
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