chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL3309496 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][O][C][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL3309504 | [F][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL504010 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][O][=C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][#Branch2][#Branch2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C@][Ri... |
CHEMBL505283 | [C][O][C@@][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C@][Branch1][C][O][Branch2][Branch1][P][C][C@H1][C@@][Branch1][C][C][C@@H1][C][C@@H1][Ring1][Ring1][C@@][Branch1][C][O][C][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][Bran... |
CHEMBL415356 | [C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[C][C][=C][N][Branch2][S][=C][C@H1][C][C@H1][Branch2][=N][P][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch2][... |
CHEMBL407796 | [C][C][Branch1][C][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][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C... |
CHEMBL407800 | [C][C][=Branch1][C][=O][N][C@@H1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][#Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C]... |
CHEMBL410166 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][#Branch1][O][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][#Branch2][C][C][C][N][=C][Branch1][C][N][N]... |
CHEMBL412513 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][N][=Branch2][C][C@H1][Branch2][=Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch... |
CHEMBL410170 | [C][S][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=N][NH1][C][Branch2][Branch2][P][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]... |
CHEMBL4116159 | [C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][=C][Branch2][Ring1][#C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][C][Branch1][C][N][=O][C][Ring2][Ring1][#Branch1] |
CHEMBL6409 | [C][O][C][=C][C][=C][C][=C][Branch1][Branch2][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=N][C][C][Ring1][=Branch2] |
CHEMBL6502 | [C][O][C][=Branch1][C][=O][C][C][/C][=C][\C][C][C@H1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][/C][=C][/C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][Ring2] |
CHEMBL6503 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1] |
CHEMBL6504 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@@][C][C@@H1][Branch1][C][C][C@][Branch1][C][O][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C@@][Ring1][#Branch1][Branch1][C][O][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][=C][C@H1][Ring2][Ring1][Ring1][C@@H1][Ring2][Ring1][Branch2][C][Ring2][Ring1][=Branch2... |
CHEMBL1187863 | [C][C][C][=C][C@@H1][C][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][... |
CHEMBL503500 | [C][C][Branch1][C][C][C@H1][Branch2][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Bran... |
CHEMBL1222095 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring2][=C][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Br... |
CHEMBL1207509 | [O][=C][Branch1][C][O][C][C][C][S][C][C][O][C@@H1][O][C@@H1][C][Branch1][O][C][S][C][C][C][C][=Branch1][C][=O][O][O][C@H1][Branch2][=N][N][O][C@@H1][C][Branch1][O][C][S][C][C][C][C][=Branch1][C][=O][O][O][C@H1][Branch2][O][#C][O][C@@H1][C][Branch1][O][C][S][C][C][C][C][=Branch1][C][=O][O][O][C@H1][Branch2][#Branch2][C]... |
CHEMBL1207698 | [N][C][=N][C][Branch2][=Branch1][#C][/C][=Branch2][Ring1][=N][=N][/O][C][C][S][C][=N][N][=C][Branch1][#C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=N][Ring1][Branch2][O][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][S][C][N+1][=C][C][=C... |
CHEMBL1207875 | [C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][#Branch2][Ring2][O][C@H1][C@H1][Branch1][C][O][C][O][C@@H1][Branch2][=Branch2][Ring1][O][C@@H1][C][O][C@@H1][Branch2][Branch2][C][O][C@H1][C@H1][Branch2][=Branch1][=Branch2][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][C][C][C@][C][=Branch1][C][=O][O][C@@][Branch1][C][C][B... |
CHEMBL1207158 | [O][=C][Branch2][Ring1][=N][/C][=C][/C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=C][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
CHEMBL3309456 | [O][=C][C][S][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O] |
CHEMBL1222790 | [O][=C][C][C][C@@H1][Branch2][Ring1][S][C][N][=C][Branch1][S][N][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][C][=C][C][=C][N][Ring1][Branch1][N][=Ring2][Ring1][C][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
CHEMBL1222867 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][C@@][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=Branch1][C][=O][N][C][Ring2][Ring1][C][=O][C][Ring2][Ring1][O] |
CHEMBL1213094 | [C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][S] |
CHEMBL1214027 | [C][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][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][C][Branch1][C... |
CHEMBL4116128 | [O][=C][Branch1][C][O][C@@H1][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][Ring1][=N] |
CHEMBL4116129 | [C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch2][Ring2][Ring2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][R... |
CHEMBL1213701 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL1204451 | [C][C][Branch1][C][C][S][C@@H1][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][P][C@H1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O].[O][=C][Branch2][Ring1][N][N][C][P][=Branch1][C][=O][Branch1][C][O][N][C@H1][B... |
CHEMBL3309505 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL415372 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Bran... |
CHEMBL415373 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Bran... |
CHEMBL414300 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][#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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N... |
CHEMBL1202974 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][Ring2][N][=N+1][=N-1][C][=C][Ring1][P][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2].[Cl] |
CHEMBL4116131 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][Ring2] |
CHEMBL413604 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][B... |
CHEMBL413606 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][... |
CHEMBL413607 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][... |
CHEMBL413611 | [C][C][=C][C][=C][Branch2][=Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][Ring1][C][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@H1][O][C@@H1][O][C@][Branch1][C][C][C][C][C@H1][... |
CHEMBL413612 | [C][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][NH1]... |
CHEMBL3309302 | [C][=C][C][C][C][C@@H1][C@@][Ring1][=Branch1][Branch1][C][C][C][C][C@H1][Branch1][C][C][C@@][Ring1][Branch2][Branch1][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][C][Branch1][C][C][C][C][Ring1][=N][=O] |
CHEMBL6505 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Bran... |
CHEMBL6508 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch2][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][... |
CHEMBL6509 | [N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL6510 | [C][C][C][C][C][C][C][C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2... |
CHEMBL6221 | [C][O][C][=Branch1][C][=O][/C][=C][/C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C@@H1][Ring1][#C][Ring1][N] |
CHEMBL6222 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl] |
CHEMBL6223 | [O][=C][O][/C][=Branch1][Ring1][=C][/I][C][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL6224 | [C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][N] |
CHEMBL8 | [O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][=N][C][Ring2][Ring1][Ring2][=O] |
CHEMBL1208991 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][C][=Bran... |
CHEMBL1222096 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring2][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][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H... |
CHEMBL1222092 | [C][S][C][C][C@H1][Branch3][Ring1][=Branch2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch3][R... |
CHEMBL440635 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][Branch1][C][C][=C][C][=... |
CHEMBL440637 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C... |
CHEMBL440638 | [C][C@H1][/C][=C][\C@@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][... |
CHEMBL440063 | [C][N][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][C][S][S][C][C@H1][Branch2][Branch1][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O... |
CHEMBL3309458 | [O][=C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O] |
CHEMBL414325 | [C][N][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][C][=Branch1][C][=O][N][C@H1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C... |
CHEMBL4116137 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][=C][N][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
CHEMBL414332 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][S][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1... |
CHEMBL414339 | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][O][C][C@][Ring1][Ring2][O][C][=Branch1][C][=O][C][C][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C... |
CHEMBL414341 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=N][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][... |
CHEMBL414344 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][N][Branch1][C][C@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ri... |
CHEMBL1207478 | [C][O][C@H1][O][C@@H1][C][O][C@H1][Branch3][Ring2][Ring1][O][C@H1][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch3][Ring1][P][=Branch2][O][C@H1][O][C@@H1][C][O][C@H1][Branch3][Ring1][S][Branch2][C@H1][Ring1][Branch1][O][C@@H1][O]... |
CHEMBL499943 | [C][C][C@H1][Branch1][C][C][C@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C... |
CHEMBL499936 | [C][/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][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Branch2][O][N][C][=Branch1][C][=O]... |
CHEMBL499939 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][Branch2][... |
CHEMBL499946 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][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][=O][C][N][C][=B... |
CHEMBL1207526 | [O][=C][Branch1][C][O][C][S][C][C][O][C@@H1][O][C@@H1][C][Branch1][=Branch2][C][S][C][C][=Branch1][C][=O][O][O][C@H1][Branch2][=Branch2][#Branch2][O][C@@H1][C][Branch1][=Branch2][C][S][C][C][=Branch1][C][=O][O][O][C@H1][Branch2][#Branch1][#C][O][C@@H1][C][Branch1][=Branch2][C][S][C][C][=Branch1][C][=O][O][O][C@H1][Bran... |
CHEMBL4116140 | [O][=C][Branch1][S][O][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=N][=O] |
CHEMBL1207867 | [C][O][C@@H1][C][O][C@@H1][Branch2][#Branch1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch2][O][C@@H1][Branch2][Branch1][=C][C][C][C@@H1][Branch1][C][C][C@H1][C][C@@H1][Branch1][C][O][C@H1][C@][Branch1][C][O][C][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C... |
CHEMBL3309304 | [C][=C][C][C][C][C@@H1][C@][Ring1][=Branch1][Branch1][C][C][C][C][C@H1][Branch1][C][C][C@@][Ring1][Branch2][Branch1][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][Ring1][=Branch2][=O] |
CHEMBL6225 | [C][C][N][C][C][C][C][N][Branch2][Ring2][=Branch1][C][=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][C][Ring1][Ring1][C][Ring1][=C][=C][Ring2][Ring1][Ring1][F][C][Ring2][Ring1][=Branch2] |
CHEMBL6314 | [C][O][C][=C][C][=N][C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1][=N][C][Branch1][C][N][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL6315 | [N][C][=C][C][=N+1][Branch2][Ring2][=N][C][C][=C][C][=C][Branch2][Ring1][S][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N+1][=C][C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring2][Ring2][Ring2][Ring1][=Branch1] |
CHEMBL6316 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][C][=C][N][=C][C][S][C][Branch1][#Branch2][/C][=N][/O][C][C][=Branch1][C][=O][O][=C][C][Ring1][S][=Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL3309383 | [C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][Ring1][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][=N][Ring2][Ring1][N] |
CHEMBL167990 | [C][N][Branch1][P][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL438545 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Bran... |
CHEMBL438548 | [C][C][C][C@H1][Branch2][O][Branch1][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][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][S][C][C@H1][Branch1][C][N][C][=Branch1... |
CHEMBL438556 | [N][C][C][C][C][C@@H1][Branch1][Ring1][C][=O][N][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][O][C][... |
CHEMBL439100 | [C][C][C][C][C@H1][Branch3][Ring1][Branch2][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][#Branch1][C... |
CHEMBL155656 | [C][C][C][N][Branch1][#Branch2][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][=C][Branch1][Branch2][C][C][C][C][Ring1][=Branch1][=O][C][Ring1][O] |
CHEMBL1222120 | [C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch2][=C][=Branch1][O][C][C@H1][O][C@H1][Branch2][=Branch2][O][N][C][=Branch1][C][=S][N][C][/C][Branch1][C][O][=C][Branch1][C][\O][C][N][C][=Branch1][C][=S][N][C@H1][O][C@H1][Branch2][Ring1][O][C][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][... |
CHEMBL1222975 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][N][C][=C][Branch1][S][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL3309460 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL1224265 | [N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][=N][=N][Ring2][Ring1][C] |
CHEMBL1075643 | [C][=C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][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][C][C][C][=C][C][=C... |
CHEMBL4116143 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][N][C][C][S][C][=C][C][=Ring1][Branch1][O][C] |
CHEMBL1206762 | [C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][C][S][C][C][Ring1][=Branch1][C@H1][Ring1][#C][Ring1][N] |
CHEMBL1206588 | [C][C][C][C][C][=N][C][Branch1][C][Cl][=C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][... |
CHEMBL1206530 | [C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Branch2][Ring1][#Branch2][S][C][C@@H1][Branch1][C][O][C][O][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][C][Ring1][#Branch2][O][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Ring2][Ring1][=Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O] |
CHEMBL412558 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Bran... |
CHEMBL413401 | [C][C][=Branch1][C][=O][O][C][C@H1][O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch2][O][=Branch1][O][C@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch2][=Branch2][C][O][C@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O... |
CHEMBL413403 | [C][O][/C][Branch1][C][C][=C][/N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][#Branch2][C][=N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][... |
CHEMBL413405 | [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][C][S][S][C][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Br... |
CHEMBL413409 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C... |
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