chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4280426 | [C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][C][C][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][C][Branch2][Ring1][P][C][C][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4280427 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][=C][N][Branch2][Ring2][Ring1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][N] |
CHEMBL4280509 | [C][C][C][=C][Branch2][Ring2][#Branch2][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][C][C][C][Ring2][Ring1][Ring2][=O][NH1][N][=Ring2][Ring1][O] |
CHEMBL4280510 | [C][O][C][=C][C][Branch2][Ring1][=C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][Ring1][=Branch2][C][=C][C][NH1][C][Branch1][C][N][=N][C][Ring1][#Branch2][=Ring1][=Branch1][=C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4280511 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][P][=O][C][C][Ring2][Ring1][N] |
CHEMBL4280512 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][Branch2][S][C][C][=Branch1][C][=O][O][=C][Ring1][P][C][#N][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280513 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][/C][=N][/N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] |
CHEMBL4280598 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Branch1][C][Cl][Cl] |
CHEMBL4280599 | [C][C@H1][C][N][C][C@@H1][Branch1][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][#C][C][C][=N][C][=C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][N][Ring1][#C][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280600 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280601 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch1][#Branch1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][O][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][=N] |
CHEMBL4280679 | [O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4280680 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][/C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][Br] |
CHEMBL4280681 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=C][/C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4280682 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] |
CHEMBL4280765 | [C][C][Branch1][C][C][=C][C][C][C@@][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@][Ring1][Branch2][Branch1][C][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Ring1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4280766 | [C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch2][=Branch1][S][O][C@@H1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@@H1][Branch2][Ring2][S][O][C@@H1][C@@H1][Branch1][Ring1][C][O][O][C@H1][Branch2][Ring1][=Branch1][O][C@@H1][Branch1][Ring1][C][O][C][Branch1][Branch2][O][C@H1][Branch1][C][O][C][O][C][=Branch1][C][=O][O][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][=Branch2][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Ring2][Ring2][=Branch2][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][Ring2][O] |
CHEMBL4280767 | [C][O][C@H1][C][C@@H1][C][C][C@@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][S][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][Branch1][C@H1][Branch1][C][C][C][C@@H1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][Ring1][O][C][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][/C][=C][/C][=C][/C][=C][-/Ring2][Branch1][=C][C] |
CHEMBL4280768 | [C][C][=C][C][Branch2][Ring2][=Branch1][C][=N][C][Branch1][C][F][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring2][=Ring1][#C][=C][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4280769 | [C][C][C][C][C][C][C][C][N][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=N][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] |
CHEMBL4280844 | [C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][S][N][C][=N][C][=C][C][Branch2][Ring1][Ring1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=N][Ring2][Ring1][C][C][Ring2][Ring1][Branch2] |
CHEMBL4280845 | [C][O][C][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][NH1][Ring1][O][C][Ring1][S][=C][Ring2][Ring1][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4280846 | [N][=C][Branch1][C][N][N][C][C][C][C][C][N][C][=N][O][C][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring1][S] |
CHEMBL4280847 | [C][C@@H1][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C@@][Ring1][=N][Branch1][C][F][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][S] |
CHEMBL4280931 | [S][=C][Branch2][Ring1][Ring1][N][/N][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4280932 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][C][=Branch1][#Branch1][=N][NH1][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4280933 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][Branch1][S][C][N][C][=N][C][O][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][Ring2][Ring1][C] |
CHEMBL4280934 | [C][C][Branch1][C][O][C][C][=N][S][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][=C] |
CHEMBL4281018 | [O][=C][Branch2][Ring1][O][N][C][=C][C][Branch1][C][O][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281019 | [C][C][C][C][N][/C][=Branch1][#C][=C][/N][=C][N][Branch1][Branch1][C][C][O][C][C][Ring1][=Branch2][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4281020 | [C][C][N][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][NH1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring2][C] |
CHEMBL4281021 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][#Branch1] |
CHEMBL4281022 | [C][C@H1][C][C][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][=C][C@@][Ring1][O][Ring1][#C][C] |
CHEMBL4281023 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Ring1][N][=Ring1][Branch2][C][C][Ring2][Ring1][C][S][Ring2][Ring1][#Branch1] |
CHEMBL4281099 | [O][=S][=Branch1][C][=O][Branch2][Ring2][#Branch2][N][C][C][N][C][=N][C][=C][C][Branch2][Ring1][#Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][S][C][=C][N][Ring1][#C][Ring1][Branch1][=N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4281100 | [O][=C][Branch1][C][O][C][=C][C@H1][Branch1][C][O][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2] |
CHEMBL4281101 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][Ring1][=N] |
CHEMBL4281102 | [C][#C][C@@][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Ring1][O][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][=C][C@@H1][Ring2][Ring1][=Branch1][O] |
CHEMBL4281173 | [C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][Ring1][S] |
CHEMBL4281174 | [N][#C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring1][Ring1][N][C][C@@][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch1][Branch2][N][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring2][C][Ring1][N][C][Ring1][#C] |
CHEMBL4281175 | [C][C][Branch2][Ring2][N][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][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][Ring2][Ring1][N] |
CHEMBL4281176 | [C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][C][C][=C][Branch1][C][C][C][C][C][C@][Ring1][#Branch1][Branch1][C][C][C][C@@H1][Ring1][N][O] |
CHEMBL4281177 | [C][C][N][Branch1][Ring1][C][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] |
CHEMBL4281178 | [O][=C][/C][=Branch2][Ring1][C][=C][/C][=C][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][Branch2][C][N][Ring2][Ring1][=N][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2] |
CHEMBL4281263 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=N][C][=N][Ring1][S] |
CHEMBL4281264 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch2][Ring2][N][C][N][C][=C][Branch2][Ring1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][N][=N][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][P] |
CHEMBL4281265 | [C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4281266 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][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][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4281267 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][C][N][C][=Branch1][C][=N][N][N+1][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O] |
CHEMBL4281268 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Branch1][C][O][=C][Ring1][=Branch2][N][=C][Ring1][=N][C] |
CHEMBL4281269 | [O][=C][C][=C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring2][P][O][C][C][C][C][=C][N][Branch2][Ring2][C][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][N][C][=C][Ring2][Ring2][=Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring2][S][Ring1][=Branch1] |
CHEMBL4281270 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#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][C][=C][Ring2][Ring1][N] |
CHEMBL4281354 | [C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][Branch2][=C][Ring2][C][=Branch1][C][=O][C][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][N][Branch2][O][=N][C][=Branch1][C][=O][C][N][Branch2][#Branch2][Branch2][C][=Branch1][C][=O][C][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][N][Branch2][#Branch1][P][C][=Branch1][C][=O][C][N][Branch2][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][C][C][C][N][C][=Branch1][C][=N][N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281355 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][Cl][Cl] |
CHEMBL4281356 | [O][=C][Branch1][=C][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] |
CHEMBL4281357 | [C][C][Branch1][C][C][Branch1][C][O][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=N][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][O][=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][N] |
CHEMBL4281358 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][S][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][O] |
CHEMBL4281359 | [C][C][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=Branch1][C][=S][N][C][C][/C][=C][/S+1][Branch1][C][C][O-1] |
CHEMBL4281447 | [C][O][C][=C][C][=N][C][Branch1][#C][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=N][C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4281448 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][Ring2][S][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][N][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281449 | [O][=C][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F] |
CHEMBL4281450 | [C][C@H1][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C@H1][C][C@H1][C@@H1][C][C][C@@H1][C][C@@H1][Branch2][Ring1][N][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C@H1][Ring2][Ring1][N][C][C][C@][Ring2][Ring1][S][Branch1][C][C][C@H1][Ring2][Ring2][Ring2][C@@H1][Ring2][Ring2][=Branch2][C] |
CHEMBL4281451 | [F][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][C][=C][Ring1][O][C][=N][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][Cl] |
CHEMBL4281536 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring1][O][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][Branch2][Ring1][Ring2] |
CHEMBL4281537 | [C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring2][Ring2][Branch1] |
CHEMBL4281538 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4281539 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=Branch1][C][=C][C@@H1][Ring1][=C][C][C@H1][Ring2][Ring1][=Branch1][Ring2][Ring1][C] |
CHEMBL4281629 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4281630 | [C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4281631 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][=Branch2][C][N][C][=C][Branch2][Branch1][=N][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][C@@H1][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][C][=Branch1][C][=O][O][C][C@H1][Ring2][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch2][N][=N][Ring2][Ring2][Branch1][=C][Ring2][Ring2][N] |
CHEMBL4281632 | [F][C][Branch1][C][F][Branch1][C][F][S][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4281633 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C].[Cl] |
CHEMBL4281634 | [C][C][N][/C][=Branch2][Ring1][=Branch1][=C][/C][Branch1][C][C][=C][/C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Ring1][=Branch2][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2].[Br-1] |
CHEMBL4281635 | [O][=C][Branch2][Ring2][P][N][C][=Branch1][C][=Se][N][C][=C][C][=C][Branch2][Ring1][#C][Se][Se][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=Se][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4281723 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4281724 | [C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][O] |
CHEMBL4281725 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C] |
CHEMBL4281726 | [C][O][C][=C][C][Branch2][Ring1][P][C][C][C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][=C][Ring1][N][C][=N][N][Ring2][Ring1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL4281727 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#C][O] |
CHEMBL4281816 | [C][C][C][/N][=C][\S][/C][=Branch2][Ring1][N][=C][\C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][O][C][=Branch1][C][=O][O][Ring1][=Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4281817 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4281818 | [C][C][C][C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][C][=C][C][=Branch1][C][=O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][N][Ring1][#C][Ring2][Ring1][P] |
CHEMBL4281819 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][Ring1][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][Branch1][Ring1][C][C][C][C][N][Branch1][C][C][C] |
CHEMBL4281820 | [O][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][O] |
CHEMBL4281821 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] |
CHEMBL4281898 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C] |
CHEMBL4281899 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][=C] |
CHEMBL4281900 | [F][C][Branch1][C][F][C][C][C][C][Ring1][=Branch1][N][C][=N][C][Branch1][=N][N][C][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] |
CHEMBL4281901 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][C][O][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#C] |
CHEMBL4281902 | [C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][=N][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=C][Ring2][Ring1][#C] |
CHEMBL4281982 | [O][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] |
CHEMBL4281983 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1] |
CHEMBL4281984 | [C][C][C][C][N+1][Branch1][C][C][C][C][N][Branch2][=Branch1][#C][C][C][=Branch1][C][=O][O][C@H1][C][C][C][C@H1][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C][C@@H1][C][=Branch2][Ring2][N][=C][C@@H1][C@H1][Ring1][Branch1][C][=C][C@@H1][C][C@@H1][Branch2][Ring1][#Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][O][O][C][C][C@@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][Branch2][C][C][C][Ring2][Branch1][Ring2].[I-1] |
CHEMBL4281985 | [C][O][C][=Branch1][C][=O][/C][=Branch1][P][=C][Branch1][C][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring2][Ring1][C] |
CHEMBL4281986 | [C][C][C][N][Branch2][Ring1][Branch1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Branch1][C][C][=O] |
CHEMBL4282070 | [O][=C][Branch1][=N][N][C][=N][C][=C][Branch1][Ring1][C][O][S][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][C] |
CHEMBL4282071 | [F][C][Branch1][C][F][C][C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][=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][N][C][Ring2][Ring2][Ring1] |
CHEMBL4282072 | [C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring2][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][N][=Ring1][N][C][=C][Ring2][Ring1][C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][C][C@@][Ring2][Ring1][S][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4282073 | [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][#Branch1][C][=Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][O] |
CHEMBL4282074 | [C][C][C][S][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][Branch1][=C][O][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
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