chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4282700 | [O][=S][=Branch1][C][=O][Branch2][Ring2][P][N][C][=N][N][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1][C][Branch1][C][F][F] |
CHEMBL4282780 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F][S][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4282781 | [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][=C][Ring2][Ring1][=Branch1] |
CHEMBL4282782 | [N][#C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4282783 | [C][C@H1][Branch2][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][=C][C][N][C][=N][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][C][C][N][=C][Ring1][=N][C][Ring1][P][=O][C][C][Ring2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4282784 | [C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][S] |
CHEMBL4282785 | [C][C][C][C][C][C][C][C][N][C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL4282861 | [C][C][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=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][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4282863 | [N][C][=N][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O] |
CHEMBL4282864 | [C][S][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL4282865 | [C][S][C][=C][C][=C][C][Branch1][P][N][C][=N][C][Branch1][#Branch1][C][C][Branch1][C][C][O][=N][S][Ring1][=Branch2][=C][Ring1][S] |
CHEMBL4282953 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4282954 | [C][=C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][N][N][C][=N][C][=C][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][S][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4282955 | [C][C][Branch1][C][C][S][C][=Branch1][C][=S][N][C][C][/C][=C][/S+1][Branch1][C][C][O-1] |
CHEMBL4282956 | [C][=C][C][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][/C][=C][/C@H1][Branch1][C][C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C@H1][Branch1][C][C][C@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][C][C@H1][Ring2][Ring2][O][O][C][Branch1][C][C][=O] |
CHEMBL4282957 | [N][=C][Branch1][Ring1][C][Cl][N][C][C][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][S][Ring1][#Branch1] |
CHEMBL4282958 | [C][=N][C][Branch1][S][C][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=N][Ring1][=Branch2][=C][C][NH1][N][=N][C][Ring2][Ring1][C][=Ring1][Branch1] |
CHEMBL4282959 | [O][=C][Branch1][C][O][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4283047 | [C][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4283048 | [C][C][C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Ring1][#Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N].[Cl] |
CHEMBL4283049 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][S][Ring1][#C] |
CHEMBL4283050 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=N][/N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O][Ring2][Ring2][Ring1] |
CHEMBL4283051 | [C][N][C][=C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][=C][N][=C][Ring1][P][Ring2][Ring1][P] |
CHEMBL4283052 | [C][O][C][=C][C][=C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][N][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C][C][C][Branch1][C][C][C] |
CHEMBL4283053 | [C][N][Branch2][Ring2][=N][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][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] |
CHEMBL4283139 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4283140 | [C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][=N][N][=C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][=C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring2][Ring1][N][=Ring1][Branch2] |
CHEMBL4283141 | [O][=C][Branch1][=N][N][C][=N][C][Branch1][Ring1][C][O][=C][S][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][#C] |
CHEMBL4283142 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C@@H1][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C@][Ring1][=Branch2][Ring1][#C][O][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4283143 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=N][C][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][=C][Ring2][Ring1][O][Ring2][Ring1][#Branch1] |
CHEMBL4283228 | [C][O][C][=C][C][=C][Branch1][S][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1][C][=C][Ring1][P] |
CHEMBL4283229 | [O][C][C@H1][C][C][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=C] |
CHEMBL4283230 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] |
CHEMBL4283231 | [C][C][C][C][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][#Branch1][C@H1][C][C][C@][Branch1][C][N][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring1][N][C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4283232 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4283322 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][Ring1][P] |
CHEMBL4283323 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][/C][=C][\C][Branch1][C][O][C][C][Ring2][Ring1][C] |
CHEMBL4283324 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring2][#Branch2][C][Branch2][Ring1][Ring2][C][=C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][O][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][=C][N][Ring2][Ring1][N][C] |
CHEMBL4283325 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=N][/N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O][Ring2][Ring2][Ring1] |
CHEMBL4283326 | [C][N][C][C][Branch2][Ring2][#C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][=Ring1][=Branch1][Ring1][O][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=C][Ring1][=N][C][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=N] |
CHEMBL4277835 | [C][N][C][=C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][P] |
CHEMBL4277836 | [C][C][C][C][C][C][C][C][N][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=N][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2] |
CHEMBL4277837 | [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][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4277933 | [F][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4277934 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][N][C][=C][Ring1][P][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4277935 | [O][=C][C][=C][Branch2][Ring1][#Branch1][S][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=N][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][O] |
CHEMBL4277936 | [C][O][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring2][Ring1][Ring1] |
CHEMBL4277937 | [O][=C][Branch2][Ring1][=Branch1][N][/N][=C][/C][=C][C][=C][N][Ring1][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P] |
CHEMBL4277938 | [C][O][C][=C][C][=C][O][C][=C][C][=Branch2][Ring1][#Branch1][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P][O][C][C][C][=C][C][=C][Branch1][O][C][Branch1][C][O][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][Ring2][C][Ring1][O][O][C][=Branch1][C][=O][C@][Ring1][Branch2][Branch1][C][C][C][O] |
CHEMBL4278029 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][P] |
CHEMBL4278030 | [O][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL4278031 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][=C][Ring2][Ring1][Branch1] |
CHEMBL4278032 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4278033 | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][C][O][C@H1][C][O][C@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P] |
CHEMBL4278116 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C][O][C][=C][C][=C][Branch2][Ring2][C][C][Branch1][S][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][P] |
CHEMBL4278117 | [C][O][C@@H1][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O] |
CHEMBL4278118 | [N][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][N][=N][C][=Ring1][S][Ring1][=N] |
CHEMBL4278119 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch2][C][C][C][C][Ring1][=Branch1][=O][N][Ring2][Ring1][=C] |
CHEMBL4278207 | [O][=C][Branch1][=Branch1][N][C][C][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] |
CHEMBL4278208 | [C][C][N][C][C][C][N][Branch2][Ring2][Ring1][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][Ring2][Ring1][#Branch2][=Branch1][C][=O][=O] |
CHEMBL4278209 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Ring2][C][C][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][C@@][Ring1][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4278210 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C@@][Branch1][C][O][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][C][C][C@H1][C@@H1][C][C][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Branch1][C][C][C][C][C@@H1][Ring1][O][Ring1][S][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2] |
CHEMBL4278211 | [C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=N][Ring1][=C] |
CHEMBL4278212 | [N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4278301 | [C][O][C][C][N][C][=C][Branch2][Ring2][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][C][Ring1][=N][=N][Ring2][Ring1][#Branch2][C][=N][Ring2][Ring1][#C] |
CHEMBL4278302 | [O][=C][Branch2][Ring2][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278303 | [O][=S][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CHEMBL4278397 | [C][N][C][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][#Branch2][Ring1][#Branch2] |
CHEMBL4278398 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] |
CHEMBL4278399 | [C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O][=C][Branch1][C][C][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4278400 | [C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][C][=N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][C][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4278474 | [C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][N][=C][Branch1][#Branch2][N][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=N][C][Ring2][Ring1][=Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL4278475 | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][O][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][S][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278476 | [N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4278477 | [O][=C][C][=C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F][NH1][C][=Branch1][C][=O][N][Ring1][#C][O] |
CHEMBL4278478 | [C][C][=N][NH1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][S][Ring1][N] |
CHEMBL4278563 | [C][C][C][C][C@H1][Branch2][Ring2][Branch2][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][N][=C][NH1][Ring1][Branch1][N][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] |
CHEMBL4278564 | [C][C][N][Branch2][Ring2][Ring1][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=C][Ring1][P][NH1][Ring2][Ring1][Ring2][C][Branch1][C][C][=O] |
CHEMBL4278565 | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring1][C][N][C][=N][NH1][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4278566 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4278567 | [C][C][NH1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][C][=Ring1][=C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4278646 | [C][C][O][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][=C][C][=Ring1][P][C][=Branch1][C][=O][N][C][C][O] |
CHEMBL4278647 | [C][C@H1][C][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][#C][C@@H1][Ring2][Ring1][C][N][C][#N] |
CHEMBL4278648 | [C][O][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4278649 | [C][#C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278736 | [C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][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][Ring1][#C] |
CHEMBL4278737 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4278738 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278739 | [C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2] |
CHEMBL4278823 | [C][C][S][C][Branch2][Ring1][#Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][=C][C][=Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][S][Ring1][=Branch1].[Cl] |
CHEMBL4278824 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4278825 | [C][C][C][C][O][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] |
CHEMBL4278826 | [C][C][=C][C][=C][Branch2][Ring2][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][P] |
CHEMBL4278901 | [F][C][Branch1][C][F][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][#Branch2][C][Ring2][Ring1][P] |
CHEMBL4278902 | [C][C][=Branch1][C][=O][O][C][C][=C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][C][C@@][Branch1][C][C][O][C@@H1][Ring1][Ring2][C@H1][Ring2][Ring1][=Branch1][O][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4278903 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][P][C][=C][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C] |
CHEMBL4278904 | [C][C][N][C][C][N][Branch2][Branch1][=Branch2][C][=C][C][=C][Branch2][Ring2][=N][N][C][=N][C][=C][Branch1][C][F][C][Branch2][Ring1][=N][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][Ring1][C][C][C][Branch1][C][C][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch1][N][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][C] |
CHEMBL4278905 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278985 | [C][O][C][C][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][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][=Branch1] |
CHEMBL4278986 | [C][C][Branch1][C][C][=C][C][C][=C][C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C][Ring2][Ring1][Branch2][=O][=C][C][Branch1][C][O][=C][Ring2][Ring2][Ring1][O] |
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