chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4278914 | [O][C][=C][N][=C][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][C] |
CHEMBL4278915 | [C][N][C][=C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring1][P][C][=N][Ring2][Ring2][Ring2] |
CHEMBL4278916 | [C][#C][C][N][C][=C][C][=C][C][Branch1][=N][O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring1][=C][Ring1][P] |
CHEMBL4278996 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Branch1][Branch2][C][C][C][C][Ring1][=Branch1][=O][N][Ring2][Ring1][N] |
CHEMBL4278997 | [O][=C][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N] |
CHEMBL4278998 | [N][#C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=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][=Branch1][=C][Ring2][Ring1][=C] |
CHEMBL4278999 | [C][C][C][Branch1][C][C][C][C][=N][C@@H1][Branch2][Ring1][S][C][C][C][C][N][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][Branch1][C][C][C][C][Ring1][S][=S][C][N][Ring2][Ring1][#Branch2] |
CHEMBL4279000 | [C][O][C@@H1][Branch2][=Branch1][Ring2][C][C@@H1][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][/C][=C][/C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][Branch1][C][C][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][/C][=C][/C][C@H1][Branch1][Ring1][O][C][C@H1][Ring2][Ring2][=Branch1][C][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][C][/C][=C][/N][Branch1][C][C][C][=O] |
CHEMBL4279084 | [C][C][C][=N][C][Branch2][Ring2][S][N][C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=N][N][C@@][Ring1][=Branch2][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][S][Ring1][=N][C][Ring2][Ring1][=Branch2][=N][C][=C][Ring2][Ring1][#C][F] |
CHEMBL4279085 | [C][C][C][N][Branch1][Ring2][C][C][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] |
CHEMBL4279086 | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][C][C][=C][N][Branch1][C][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][S] |
CHEMBL4279087 | [C][C][=C][C][=N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4279088 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4279089 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S] |
CHEMBL4279090 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL4279091 | [C][N][Branch1][#C][C][/C][=C][/C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1].[Cl] |
CHEMBL4279166 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][#C][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL4279167 | [C][C@H1][Branch2][Ring2][N][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][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][=O][N][Branch1][C][C][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] |
CHEMBL4279168 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][=C][Branch2][Ring1][Branch2][/C][=C][/C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=N][=O][C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4279169 | [C][C][C][C][C][C][N][C][C][=C][N][Branch2][P][=Branch1][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][N][C][C][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][=C][N][O][C@@H1][C@@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][N][C][C][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][N][=Branch1][O][C@@H1][C@@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][N][C][C][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][=Branch2][S][O][C@@H1][C@@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][N][C][C][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][#Branch1][#Branch2][O][C@@H1][C@@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][N][C][C][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch2][Branch1][Ring2][O][C@@H1][C@@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][N][C][C][C][C][C][C][N][=N][Ring1][=N][O][C@H1][Branch1][#C][O][C@H1][Ring2][=Branch2][#Branch1][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][O][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch1][S][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][#Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][=C][O][N][=N][Ring2][O][=Branch2] |
CHEMBL4279170 | [S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] |
CHEMBL4279171 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4279172 | [C][C][C][=C][C][=C][C][Branch2][Branch1][Branch2][C][=N][N][C][=Branch2][Ring2][C][=C][Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring1][P][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring2][C] |
CHEMBL4279173 | [O][=C][N][=N][C][=Branch1][C][=S][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4279256 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][#Branch2][Ring1][Ring2] |
CHEMBL4279259 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4279260 | [C][C][N+1][Branch1][C][C][Branch1][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] |
CHEMBL4279261 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4279343 | [F][C][Branch1][C][F][Branch1][C][F][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S] |
CHEMBL4279344 | [C][C][=C][C][Branch2][=Branch1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][Ring1][=Branch1][N][C][C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=N][Cl][C][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][N][=N][C][=N][Ring2][Ring2][O] |
CHEMBL4279345 | [O][=C][Branch2][Ring1][=N][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P][O][C][C][O][C][Ring1][Ring2] |
CHEMBL4279346 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][#Branch1][S][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=N][Ring1][N][N][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4279347 | [C][C][C][C][N][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring1][=C] |
CHEMBL4279433 | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@@H1][C@H1][C][C][C@][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C][C@@H1][Ring1][Branch2][C@H1][Ring1][N][C][C][C@][Ring2][Ring1][Ring1][Ring1][S][C] |
CHEMBL4279434 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][Ring2][Ring1][C][=Ring1][=N] |
CHEMBL4279435 | [O][=C][Branch2][Ring1][Branch1][N][/N][=C][/C][C][C][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279436 | [C][C@@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][=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][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279525 | [C][=C][C][C][=C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Branch1][C][C][C@@H1][Branch1][C][Br][C][C][/C][=Branch1][Ring1][=C][\I][C@H1][Ring1][#Branch2][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4279526 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][Ring1][P][C][C][Ring1][Ring1] |
CHEMBL4279527 | [O][=C][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL4279528 | [C][C][=N][C][=C][Branch2][Ring2][Ring2][C][C][=C][S][C][Branch2][Ring1][#Branch1][C][C][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Ring2][Ring1][Ring1][C][C][Branch1][C][N][=N][Ring2][Ring1][N] |
CHEMBL4279610 | [Cl].[O][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][NH1][Ring1][S] |
CHEMBL4279611 | [F][C][Branch1][C][F][Branch1][C][F][C][NH1][N][=N][C][=Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring1][=C][=C][Ring2][Ring1][Ring2] |
CHEMBL4279612 | [C][C][C][=C][C][Branch1][C][C][=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] |
CHEMBL4279613 | [N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4279702 | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][O][N][=Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4279703 | [C][C][C][Branch1][Ring1][C][C][N][C][=N][C][=C][Branch1][N][C][=C][N][=C][Branch1][C][N][C][=N][Ring1][#Branch1][N][=C][Branch1][#C][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][O][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] |
CHEMBL4279704 | [C][C@][C][C][C@H1][C@@H1][Branch1][P][C][C][C][=C][C][=Branch1][C][=O][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@H1][Ring1][S][C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch1] |
CHEMBL4279705 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][#C][C][C][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch1][O][Ring2][Ring1][O][C][C][Ring2][Ring1][S] |
CHEMBL4279706 | [O][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Branch2][#Branch2][C][=C][C][=C][Branch2][#Branch1][=C][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][=Branch1][#Branch2][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][N][Branch2][Ring2][P][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][#Branch1][N][=N][Ring2][Branch1][=Branch1][C][=C][Ring2][=Branch1][Branch1][O][C][=C][C][=C][C][=C][Ring2][#Branch1][#Branch1][Ring1][=Branch1] |
CHEMBL4279707 | [C][C][N][C][=Branch1][C][=O][C][C][C][=C][Branch2][Ring1][P][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C][N][Ring2][Ring1][Branch2][C][Ring2][Ring1][N][=O] |
CHEMBL4279804 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][Ring1][S][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4279805 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2] |
CHEMBL4279806 | [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] |
CHEMBL4279807 | [C][C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1] |
CHEMBL4279896 | [C][N][Branch1][C][C][C][C][#C][C][=C][C][=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][N][=C][N][=C][Ring2][Ring1][#Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL4279897 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C][C@][Ring2][Ring1][=Branch2][Ring2][Ring1][=C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][#Branch2][=O] |
CHEMBL4279898 | [C][O][C][=N][C][=C][Branch2][Ring1][C][C][C][=C][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=Ring1][O][C][=C][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C] |
CHEMBL4279899 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch2][C][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][Branch1] |
CHEMBL4279900 | [Cl][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N] |
CHEMBL4279976 | [C][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][Ring1][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4279977 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][=N][Ring2][Ring1][Ring1] |
CHEMBL4279978 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C] |
CHEMBL4279979 | [C][O][C][=C][C][=C][Branch2][Ring2][C][O][C][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][=C][Ring2][Ring1][Branch2] |
CHEMBL4280057 | [C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4280058 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][O][C][=C][C][=C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][C][=C][Ring1][O][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280059 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][F][F][C@H1][Ring1][#C][N][C][Branch1][C][C][=O] |
CHEMBL4280060 | [C][C][=C][C][Branch2][Ring2][Branch2][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][=N][O][Ring2][Ring1][=Branch2] |
CHEMBL4280138 | [N][#C][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] |
CHEMBL4280139 | [O][=C][C][=C][Branch1][P][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][NH1][C][=Branch1][C][=O][N][Ring1][P][O] |
CHEMBL4280140 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4280141 | [O][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][Branch2] |
CHEMBL4280229 | [C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][O][Ring2][Ring1][P] |
CHEMBL4280230 | [C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Ring1][#Branch2][=C][N+1][=C][Ring1][=C][C][=C][Branch1][P][C][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][=N].[Br-1] |
CHEMBL4280231 | [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][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Ring2][Ring2][C] |
CHEMBL4280232 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][N][O][C][C][O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][=C][Ring2][Ring1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280321 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][Ring2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C][C][C@][Ring2][Ring1][N][Ring2][Ring2][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][=C][=O] |
CHEMBL4280322 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Ring2][Ring1][=Branch1][N][C][Branch1][C][C][=O] |
CHEMBL4280323 | [C][O][C][=Branch1][C][=O][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4280324 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][S][C][C][Ring2][Ring1][O] |
CHEMBL4280325 | [C][C][Branch1][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=N][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=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][=Branch2] |
CHEMBL4280399 | [C][C][Branch1][C][C][C][C][Branch2][Ring2][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][#C][OH0] |
CHEMBL4280400 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][O][C].[Cl] |
CHEMBL4280401 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N] |
CHEMBL4280402 | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Ring2][=Branch1][P][=O] |
CHEMBL4280403 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring2][Ring1][Ring1][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] |
CHEMBL4280483 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] |
CHEMBL4280484 | [C][=C][C][=Branch1][C][=O][C@@][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch2][C@H1][Ring1][#Branch1][O][C@][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Ring2][Ring1][C][O][C@@H1][Ring1][N][O][C][C][C][N][C][=C][Branch1][#Branch2][C][S][C][=N][N][=C][S][Ring1][Branch1][N][=N][Ring1][N] |
CHEMBL4280485 | [C][N][C][=N][N][=C][Ring1][Branch1][C@H1][C][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][Ring2][Ring1][C] |
CHEMBL4280486 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][=C][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4280487 | [N][=C][Branch1][C][N][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][N][C][=Branch1][C][=N][N][C][=C][Branch2][Ring1][Branch1][C][Branch1][#Branch2][N][C][C][N][C][=Branch1][C][=N][N][=C][Ring2][Ring1][Ring2][S][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4280488 | [C][O][C][C][Branch1][Ring2][C][O][C][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] |
CHEMBL4280489 | [C][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=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][#Branch2] |
CHEMBL4280570 | [C][C][C][C][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C@H1][Branch1][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][C][C@@][Ring2][Ring2][P][Branch1][C][C][O] |
CHEMBL4280571 | [F][C][Branch1][C][F][C][C][C@@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C@@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][#C] |
CHEMBL4280572 | [N][C][=Branch1][C][=S][C][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][=Branch2] |
CHEMBL4280573 | [C][C][C][Branch1][Ring1][C][O][N][C][=N][C][Branch1][=C][N][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][O] |
CHEMBL4280574 | [C][C][C][C][C][=N][C][Branch1][C][C][=C][Branch1][P][C][C][=Branch1][C][=S][N][C@H1][Branch1][C][C][C][C][C@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4280575 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch2][Br] |
CHEMBL4280576 | [C][N][Branch2][Ring2][#C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][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] |
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