chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4282874 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=N][N][=C][Branch2][Ring2][#Branch2][C][S][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch2][S][C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][=N][N][=N][Ring2][Ring1][#Branch1][N][Ring2][Ring1][=C][N][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4282875 | [C][=C][C][=C][Branch2][Ring1][P][C][C][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4282876 | [C][C][C][C][C][Branch2][Ring2][=Branch1][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][N] |
CHEMBL4282968 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][O][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][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][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][N][=O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4282969 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][=Branch2][N][C][C][C][O][C][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=N] |
CHEMBL4282970 | [C][O][C][=C][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring1][=N][O][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O] |
CHEMBL4282971 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][O][C@@H1][C][C][C@][Branch1][C][C][C][C@H1][O][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][C][C@H1][Ring1][#C][C@@][Ring2][Ring1][Ring1][C][O][Ring1][Ring1].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O] |
CHEMBL4282972 | [C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2] |
CHEMBL4283060 | [C][O][C][C][C][C][C][N][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][S][C][=Ring1][O][Ring1][#C] |
CHEMBL4283061 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C] |
CHEMBL4283062 | [C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][N][P][=Branch1][C][=O][Branch2][Ring1][C][O][C][C][=C][N][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][N][Branch1][Ring2][C][C][Cl][C][C][Cl].[I-1] |
CHEMBL4283063 | [C][C][=C][C][=C][C][Branch2][Ring1][P][C][N][C][Branch1][C][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=N][N][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4283150 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1][Cl] |
CHEMBL4283151 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Branch1][Branch1][O][C][C][C][C][C][=C][N][Branch2][Ring2][Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][#C][=C][C][=C][Ring2][Branch1][Ring2][Ring2][Ring2][#Branch2] |
CHEMBL4283152 | [C][C][C][C][N][C][=N][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][=N] |
CHEMBL4283153 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][=C][N][Ring2][Ring1][Branch1][Ring1][O][C][C][Ring2][Ring1][N] |
CHEMBL4283237 | [C][C][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4283238 | [C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4283239 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][C][=Branch1][S][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][Ring1][N][C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@H1][Branch1][Branch1][C][Ring2][Ring2][Branch1][N][Branch1][C][C][C][C][Ring1][Branch2] |
CHEMBL4283240 | [C][O][C][=C][C][=C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Branch1][Ring2][C][C][#N][C][Ring1][=N][=C][Ring1][P] |
CHEMBL4283241 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][Branch1][C][C][C][Ring2][Ring1][Ring1] |
CHEMBL4283332 | [C][C][C][C][C][C][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4283333 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][S] |
CHEMBL4283334 | [C][C][C][C][C][=C][Branch2][Ring2][Ring2][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][=C][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][O] |
CHEMBL4283335 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4283336 | [C][C][N][/C][=Branch2][Ring2][=N][=C][\C][=C][Branch1][C][O-1][/C][=Branch2][Ring1][=C][=C][\C][S][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N+1][=Ring1][#Branch2][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Ring2][Ring1][Branch2][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring1] |
CHEMBL4277844 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4277845 | [C][C][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][N][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring2][Ring1][Branch1] |
CHEMBL4277846 | [C][C@@H1][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][Ring1][Branch1][C][C][C@][Ring2][Ring1][Branch2][Branch1][C][C][C][C][C@@][Ring2][Ring1][=N][Branch2][Ring2][O][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][Ring2][Branch1][#C][C].[Br-1] |
CHEMBL4277847 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2][C][=C][Ring1][S][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277848 | [C][C][C][Branch2][Ring1][Ring1][O][C][C][Branch1][C][O][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=Ring2][Ring2][=N][Ring2][Ring1][=C] |
CHEMBL4277849 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4277943 | [C][C][N][C][=Branch1][C][=O][C@H1][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4277944 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4277945 | [C][C][C@H1][Branch1][C][C][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@@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][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C@@H1][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277946 | [C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][N][Ring2][Ring2][Branch2] |
CHEMBL4277947 | [O][=C][Branch1][C][O][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277948 | [C][C][O][C][N][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4277949 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][O][=O] |
CHEMBL4277950 | [C][C][=C][C][Branch2][Ring1][N][/C][=C][\C][=Branch1][C][=O][O][C][\C][Ring1][=Branch1][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4278039 | [C][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4278040 | [C][C][S][C][Branch2][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CHEMBL4278041 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring2][C][C][N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=N][Ring2][Ring1][C][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][#C][Ring1][Ring2] |
CHEMBL4278042 | [C][C][=C][C@@H1][Branch2][Ring2][Branch2][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][NH1][C][=C][C][=Branch1][O][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring2][Ring1][=C] |
CHEMBL4278043 | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=N][C][C][C@][Ring1][P][Ring2][Ring1][#Branch1][C] |
CHEMBL4278044 | [C][N][N][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][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][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][S] |
CHEMBL4278127 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][Ring2] |
CHEMBL4278128 | [O][=C][Branch1][Ring1][C][Cl][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][I][C][=C][Ring1][P] |
CHEMBL4278129 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4278130 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4278131 | [C][O][C][=N][C][Branch2][Ring1][Ring1][O][C][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][=C][Ring1][Branch2][C][=N][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=C] |
CHEMBL4278218 | [O][=C][NH1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278219 | [C][C][Branch1][C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][O][C][=C][C][=C][Branch2][Ring2][O][C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4278220 | [Cl][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][N][=C][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL4278221 | [C][O][C][=C][C][Branch2][=Branch1][Branch2][C@@H1][C][=C][C][=C][Branch2][Branch1][#Branch2][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][N][=N][Ring2][Ring1][Ring1][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring2][Ring2][O][C][O][Ring2][Ring2][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#C][O][C] |
CHEMBL4278222 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][O][C][C][C][C][N][C][Branch1][C][C][C][O][=C][Ring1][P] |
CHEMBL4278223 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][O][C][Branch2][Ring1][O][C][N][=N][N][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][/C][Branch1][C][C][=N][/O][=C][Ring1][#Branch2][C][=Ring1][#C][N][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4278224 | [C][C][C][C][C@H1][Branch2][Ring2][Ring1][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][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][=O][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] |
CHEMBL4278311 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C@@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][Ring2][Ring1][Ring2][S][Ring2][Ring1][=Branch2] |
CHEMBL4278312 | [N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][Branch2][C][=N][C][Branch1][=C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring2][=N][C][Branch1][=C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring2][=N][Ring2][Ring1][Branch2][C][=N][Ring2][Ring1][P] |
CHEMBL4278313 | [C][C][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4278314 | [C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch2][Ring1][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][C][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278315 | [C][O][C][=C][C][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=N][O][C] |
CHEMBL4278316 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CHEMBL4278317 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=C][Branch2][Ring1][O][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][N][Ring1][=Branch1][C][=N][Ring2][Ring1][P] |
CHEMBL4278407 | [C][C][Branch1][C][C][=C][C][C@@H1][C][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring2][Ring1][C][=O] |
CHEMBL4278408 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL4278409 | [C][=C][C][=C][Branch2][Ring1][#C][N][O][C@H1][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4278410 | [C][S][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Cl][=C][C][=N][N][Branch1][=C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring2][Ring1][O] |
CHEMBL4278485 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][Ring1][=N][=O] |
CHEMBL4278486 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][C][C][C][=N][C][Branch1][C][C][=N][C][C][=C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][=Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1].[Cl] |
CHEMBL4278487 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch2][Ring1][Ring1][C][C][C][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4278488 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C] |
CHEMBL4278489 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
CHEMBL4278490 | [C][C][=C][C][=C][O][C][Branch2][Branch1][P][C][=C][C][=C][Branch2][Branch1][Branch1][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][P][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][=Branch2][=C][C][=Branch1][C][=O][C][Ring2][Ring2][S][=C][Ring2][Branch1][Ring2] |
CHEMBL4278572 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2] |
CHEMBL4278573 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][\N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4278574 | [C][N][Branch2][Ring1][P][C][C][C][C][O][C][=C][C][=C][Branch1][P][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278575 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch1][#Branch1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][Branch2][C][N][C][Branch1][C][N][=O][C][C][Ring1][N] |
CHEMBL4278656 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][N][N][=N][C][=C][Ring1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][S][C][=C][Ring2][Ring1][O] |
CHEMBL4278657 | [C][O][C][=C][C][=C][C][Branch2][Branch1][O][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][=C][Branch2][Ring1][=C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch2][=C][Ring2][Ring2][#Branch2] |
CHEMBL4278658 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][=C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=C][Ring2][Ring2][Branch2][O] |
CHEMBL4278659 | [C][C][C][C][C][N][C][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O] |
CHEMBL4278660 | [C][O][C][=C][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][#Branch2][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][C][O][C] |
CHEMBL4278661 | [C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=C][Branch2][Ring1][=C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4278662 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2] |
CHEMBL4278746 | [C][C][C@H1][Branch1][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][C][C][C@H1][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][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][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][Branch2][C][C][C][=Branch1][C][=O][O][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][N][=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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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@@H1][Branch1][C][C][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@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][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@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][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][Branch2][#Branch1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4278747 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][#Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278748 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][=C][C][=C][C][NH1][N][=N][C][=Ring1][Branch1][C][=N][Ring1][=Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4278749 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4278750 | [C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][Ring1][C][=O][N][=C][Ring1][Branch2][Ring1][N][=C][Ring2][Ring1][Ring2] |
CHEMBL4278832 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=N][O] |
CHEMBL4278833 | [C][C][=Branch1][C][=O][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4278834 | [C][C][=C][Branch2][Ring1][#Branch1][N][C][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][C] |
CHEMBL4278835 | [C][N][C][=N][C][Branch1][P][N][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][N] |
CHEMBL4278836 | [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch2][Branch1][C][C][C][C][Ring1][S][C][C][Branch1][C][C][C] |
CHEMBL4278910 | [C][C][Branch1][C][C][C][C][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] |
CHEMBL4278911 | [C][C][C][C][C][C][N][C][=N][C][=C][C][=Branch1][=C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Ring1][=N][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C] |
CHEMBL4278912 | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4278913 | [C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
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