chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4281654 | [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][/C][Branch1][Ring1][C][#N][=C][/C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4281655 | [O][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][P][=O] |
CHEMBL4281743 | [N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][S][C][C][C][C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4281744 | [C][#C][C][O][C][=C][C][=C][Branch2][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C@@][Ring1][=Branch1][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][S][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4281745 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][/C][=C][\C][C][C][C@][Branch1][C][C][Branch2][S][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][#C][#Branch1][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@][Branch1][C][C][C][C][C][/C][=C][\C][C][C][C@][Branch1][C][C][Branch2][=Branch2][=Branch2][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][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][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][Branch2][C][C][C][=Branch1][C][=O][O][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][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring2][=Branch2][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring2][N][P][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O] |
CHEMBL4281746 | [C][O][C][=C][C][=C][N][Branch1][#C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][#Branch1][=C][Ring2][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][N][=O] |
CHEMBL4281747 | [C][C@][C][C@@][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring2][Ring1][C@H1][Branch1][#Branch2][C][C@H1][Ring2][Ring2][Branch2][C][Ring2][Ring2][#Branch1][O][Ring2][Ring2][#Branch2] |
CHEMBL4281748 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][C][C][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1] |
CHEMBL4281749 | [C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][=C][C][O][/N][=C][/C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch2][Cl] |
CHEMBL4281839 | [C][O][C][=C][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][O] |
CHEMBL4281840 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][C][N][C][Ring1][=Branch1] |
CHEMBL4281841 | [O][=C][C][=C][Branch2][Branch1][S][C][=C][C][=C][Branch2][Branch1][Ring2][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][S][C][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][#Branch2][C][=C][Ring2][Ring2][=Branch2][O][C][=C][C][=C][C][=C][Ring2][Branch1][Ring1][Ring1][=Branch1] |
CHEMBL4281842 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C@@H1][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][=N][Ring1][P] |
CHEMBL4281843 | [C][=C][C@][Branch1][C][C][C][=C][C][C][C@@H1][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@@][Ring1][#Branch2][Branch1][C][C][C@@H1][Ring1][#C][C][C][Ring2][Ring1][Ring2] |
CHEMBL4281917 | [C][O][C][=Branch1][C][=O][C@][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4281918 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4281919 | [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][C@H1][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] |
CHEMBL4281920 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Branch1][=Branch2][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring2][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][O][=C][C][=C][Ring2][Branch1][Ring2][Ring2][Ring2][#Branch2] |
CHEMBL4281921 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][C][C][Ring1][Ring1] |
CHEMBL4282004 | [C][C][Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N][=O] |
CHEMBL4282005 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N] |
CHEMBL4282006 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C@H1][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][S][O] |
CHEMBL4282007 | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4282008 | [C][C@H1][Branch2][Ring1][N][N][C][=N][C][=N][C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Ring1][S][=Ring1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4282090 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][S][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O] |
CHEMBL4282091 | [O][=C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=Se][N][C][=C][C][=C][Branch2][Ring1][P][Se][Se][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=Se][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4282092 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][=C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=C][Ring2][Ring2][Branch2][O] |
CHEMBL4282093 | [O][=C][Branch2][Ring2][Branch1][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][C][=O][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4282094 | [C][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Ring1][=Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4282171 | [N].[O][=C][Branch2][Ring1][Branch2][/C][=C][/C][=C][C][=C][Branch1][N][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] |
CHEMBL4282172 | [C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][N][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4282173 | [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][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] |
CHEMBL4282174 | [C][C][=N][N][Branch1][#Branch1][C][=Branch1][C][=O][N][N][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=C] |
CHEMBL4282256 | [N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][O] |
CHEMBL4282257 | [N][#C][/C][=Branch1][S][=C][\C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4282258 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][C][N][N][=C][C][=C][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] |
CHEMBL4282259 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4282260 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Branch1][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][P][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][O][=C][C][=C][Ring2][Ring2][P][Ring2][Ring2][#Branch1] |
CHEMBL4282261 | [N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][O][=C][Ring1][P] |
CHEMBL4282343 | [C][C][C][N][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] |
CHEMBL4282344 | [Cl][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4282345 | [C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4282346 | [O][=C][C][C][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][S][Ring1][N][N][Ring2][Ring1][=Branch1] |
CHEMBL4282425 | [F][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][S][/C][=Branch2][Ring1][=Branch1][=N][/N][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4282426 | [C][C][=C][C][=N][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][C@H1][C@H1][C][=C][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C][C][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring1][O] |
CHEMBL4282427 | [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][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=C][C@H1][Branch1][N][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C@][Branch1][C][O][C][C@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Branch1][C][C][Ring2][Ring1][#Branch2][Branch1][C][C][C] |
CHEMBL4282428 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] |
CHEMBL4282429 | [C][S+1][Branch1][C][O-1][/C][=C][/C][C][N][C][=Branch1][C][=S][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4282430 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=N][C][Branch1][=N][C][=C][C][Branch1][C][F][=N][C][=C][Ring1][#Branch1][Cl][=C][S][Ring1][=N] |
CHEMBL4282515 | [O][=N+1][Branch1][C][O-1][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][N][Ring1][#C] |
CHEMBL4282516 | [C][C][=C][C][=C][Branch2][Ring2][#C][N][C][=C][Branch2][Ring2][Ring2][C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4282517 | [F][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][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][=C] |
CHEMBL4282518 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][C][=C][Branch2][Ring2][=Branch1][O][C][C][=C][N][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][N][N][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][=Branch1][Ring2][Ring1][O] |
CHEMBL4282519 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][N][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4282603 | [N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C@@H1][C][C@@H1][Branch2][Ring1][#C][N][C][=C][C][=C][Branch1][#C][N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][Branch2][O] |
CHEMBL4282604 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][P][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4282605 | [C][C][=C][N][=C][Branch1][C][C][N][Ring1][=Branch1][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][S] |
CHEMBL4282606 | [C][O][C][=C][C][=N][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][=N][C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4282672 | [C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][S][Ring1][=C][C][Ring2][Ring1][Branch2] |
CHEMBL4282673 | [O][=C][Branch2][Ring1][Branch1][C][C][C][C][C][C][N][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][N][O] |
CHEMBL4282674 | [C][O][C][=C][C][Branch2][Ring2][Branch1][C][=N][N][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][O] |
CHEMBL4282675 | [C][O][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4282753 | [F][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch1][=N][C][=N][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][=C] |
CHEMBL4282754 | [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][O][/N][=C][/C][=C][N][Branch2][=Branch1][N][C@][C][C@H1][Ring1][Ring1][C@H1][Branch2][Branch1][#Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][C@@H1][C][C@][Ring1][Ring1][Branch1][#C][N][C][=C][/C][=Branch1][Ring2][=N][/O][C][NH1][C][Ring1][=Branch2][=O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring2][Branch2][O][C][=Branch1][C][=O][NH1][Ring2][Ring2][S] |
CHEMBL4282755 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4282756 | [C][C][Branch1][C][C][=C][C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4282757 | [C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Ring1][=Branch2][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Ring1][P][C][C][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C@][Ring2][Ring1][O][Branch1][C][C][C][C][Ring2][Ring2][#Branch1] |
CHEMBL4282837 | [C][N][C@@H1][C][C@H1][O][C@@][Branch1][C][C][Branch1][=Branch1][C@@H1][Ring1][#Branch1][O][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][O][C][Ring1][#Branch2][=C][Ring1][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][P] |
CHEMBL4282838 | [N][C@H1][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O] |
CHEMBL4282839 | [C][O][C][=C][C][=C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][C][Ring1][=Branch1][=O][O][C][Ring2][Ring1][C][=Ring1][=C] |
CHEMBL4282840 | [C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][P][C][C@H1][O][C][=Branch1][C][=O][C@@H1][Ring1][Branch1][C][C][C][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=O] |
CHEMBL4282923 | [O][=C][Branch1][S][N][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4282924 | [C][C][=C][C][=C][C][=Branch1][C][=O][N][Branch2][=Branch1][#Branch2][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C@H1][Branch1][C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][N][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][C][C@][Ring1][=N][Branch1][C][O][C@@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N][Se][C][Ring2][Ring2][=C][=C][Ring2][Branch1][C] |
CHEMBL4282925 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O] |
CHEMBL4282926 | [C][C][C][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] |
CHEMBL4282927 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=S][=Branch1][C][=O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4282928 | [O][=C][Branch2][Ring2][O][/C][=C][/C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4283018 | [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][Branch1][S][N][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][P] |
CHEMBL4283019 | [C][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL4283020 | [C][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] |
CHEMBL4283021 | [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][Branch1][=C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][=N] |
CHEMBL4283113 | [N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] |
CHEMBL4283114 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Ring2][/C][=N][/O][=C][N][Ring1][=Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4283115 | [C][C][C][=Branch1][C][=O][N][C][=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][Ring2][Ring1][Ring1] |
CHEMBL4283116 | [N][#C][C][=C][C][=C][Branch2][Branch1][=Branch1][/C][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4283117 | [C][C][C][C][C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring1][=N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C] |
CHEMBL4283198 | [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] |
CHEMBL4283199 | [C][O][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] |
CHEMBL4283200 | [C][C][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C@H1][Branch1][C][O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][P][S][C@][Ring1][Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][C][S][Ring1][P][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][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][#Branch2][C@H1][Branch1][C][O][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][Ring2][#Branch1][Branch2][=O] |
CHEMBL4283201 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C] |
CHEMBL4283202 | [O][=C][Branch2][Ring1][=N][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4283291 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][O][C@H1][C@H1][Branch1][C][C][O][C@@H1][Branch2][=Branch1][=C][O][C@H1][C@H1][Branch1][C][C][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@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][C][O][C@@H1][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][#Branch1][C][C][C@@][Ring2][Ring2][S][Branch1][C][C][O][C] |
CHEMBL4283292 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][S][C][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][=N][N][/C][=C][\C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][Br][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2][=N][C][Ring2][Ring1][=C][=C][Ring2][Ring2][Ring2] |
CHEMBL4283293 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][=Branch1][#Branch1][=N][NH1][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][Ring1][P] |
CHEMBL4283294 | [C][N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][O][C][Ring1][Ring2][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][Ring2][Ring1][=Branch2] |
CHEMBL4283295 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][Cl][Cl] |
CHEMBL4283296 | [S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][C][C][=C][Branch1][N][S][C][=Ring1][Branch1][N][=C][N][Ring1][N][Ring1][=Branch2][C][C][C][C][Ring1][O] |
CHEMBL4283297 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4277810 | [C][C][=N][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][C][=C][Ring1][=N][C][=Branch1][C][=O][O][/C][=Branch1][#Branch2][=N][\C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4277811 | [C][O][C][=C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][#Branch2][O][C][O][Ring1][Branch1] |
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