chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4293770 | [C][O][C][=C][C][Branch1][Branch2][/C][=C][/C][Branch1][C][C][=O][=C][C][=C][Ring1][O][O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4293771 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][#C] |
CHEMBL4293772 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][F][C][Branch2][Ring2][N][C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][C@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][N][=C][Ring2][Ring1][#Branch1][=C][Ring2][Ring2][C][F] |
CHEMBL4293773 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4293774 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4293775 | [C][=C][C][S][C][=N][N][=C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][N][=C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][S][C][Ring1][#Branch2][=C][Ring1][=C][O][Ring2][Ring1][Branch1] |
CHEMBL4293776 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=N][C][=N][C][O][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=N][=Ring1][=Branch2][=C][Ring2][Ring1][Ring2] |
CHEMBL4293859 | [C][C@@H1][Branch2][Ring2][Ring1][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][O][N][C][=C][Branch1][C][I][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][C][Ring1][Ring1] |
CHEMBL4293860 | [C][O][C][=C][C][=C][Branch3][Ring1][Ring1][Branch1][C][N][Branch2][=C][P][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][=N][C] |
CHEMBL4293861 | [C][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][/C][=Branch1][Ring1][=N][\O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4293862 | [C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][N][Ring2][Ring2][Branch1] |
CHEMBL4293863 | [N][C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][C][=Ring1][#Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293864 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1] |
CHEMBL4288895 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] |
CHEMBL4288896 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch1][#C][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][O][C@@H1][Ring1][#C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL4288897 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C@@][Branch1][C][O][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][C][C][C@H1][C@@H1][C][C][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Branch1][C][C][C][C][C@@H1][Ring1][O][Ring1][S][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N][=C][Ring2][Ring2][Branch1] |
CHEMBL4288898 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][/C][=Branch2][Ring1][Ring2][=N][/N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2][C][=Branch1][C][=O][N][=C][Ring2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] |
CHEMBL4288899 | [C][C][Branch2][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][NH1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][Branch1][C][N][=O] |
CHEMBL4288900 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][N][N][C][=Branch1][C][=S][N][C][C][N][Branch2][Ring2][O][C][C@@][Branch1][C][O][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][C][C][C@H1][C@@H1][C][C][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Branch1][C][C][C][C][C@@H1][Ring1][O][Ring1][S][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4288901 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][Ring1][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4288902 | [C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] |
CHEMBL4288903 | [O][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][O][C][C][N][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][=C][Ring2][Ring1][=Branch2][O][C][=C][C][=C][C][=C][Ring2][Ring2][O][Ring1][=Branch1] |
CHEMBL4288986 | [N][#C][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] |
CHEMBL4288987 | [C][=C][C][=C][C][Branch2][Ring1][=N][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][=C][C][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4288988 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C@@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2] |
CHEMBL4288989 | [C][C][Branch1][C][C][C][N][Branch2][Ring2][N][C][=N][C][Branch1][P][C][=C][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][F][F][=N][C][Branch1][#C][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][C][C][O][Ring2][Ring1][#C] |
CHEMBL4289072 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4289073 | [C][C][C][C][N][C][C][C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4289074 | [C][C][O][C][=Branch1][C][=O][N][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][Ring1][N][C][=Ring1][#C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4289076 | [C][O][C][=C][C][Branch2][Branch1][Branch1][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][C][C@@H1][Branch2][Ring2][C][N][Branch1][C][C][C][C][C][C][O][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][Ring2][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch2][O][C] |
CHEMBL4289077 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][O][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][P][F] |
CHEMBL4289151 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][N][C] |
CHEMBL4289152 | [C][C@@H1][Branch2][Ring1][S][O][C][=C][N][=C][C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][=C][Ring2][Ring1][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl] |
CHEMBL4289153 | [O][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4289154 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][C][C][N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][=N][Ring1][#Branch2][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][#Branch1][Ring1][Ring2] |
CHEMBL4289233 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][O][C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][N][=Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4289234 | [C][O][C][=Branch1][C][=O][C][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][N] |
CHEMBL4289235 | [C][Si][Branch1][C][C][Branch1][C][C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4289236 | [C][O][C][=C][C][Branch2][Branch1][Ring1][C@@H1][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][Ring1][=Branch1][C@@H1][Branch1][P][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C@H1][C][O][C][=Branch1][C][=O][C@H1][Ring2][Ring1][Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1][O] |
CHEMBL4289237 | [C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C] |
CHEMBL4289238 | [O][=C][C@H1][C@@H1][C][=C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][P][C][=C][C][=C][C][S][C][Branch1][C][F][=C][C][Ring1][#Branch2][=Ring1][=Branch1][C][C][Ring1][S] |
CHEMBL4228814 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][N] |
CHEMBL4228815 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring2][=Branch1][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][#C][C][Ring1][=Branch1] |
CHEMBL4228816 | [C][C@@][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N][=C][Ring1][S][C][C][N][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][C][C][Ring2][Ring2][=N] |
CHEMBL4228817 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][Ring1][#Branch1][C] |
CHEMBL4228818 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring1][N][=O] |
CHEMBL4228896 | [C][O][C][=Branch1][C][=O][C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#Branch2][F][C][C][C][C][C][Ring2][Ring2][Ring2] |
CHEMBL4228898 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Ring1][N][=C][Ring1][S][N][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4228899 | [C][O][C][=N][C][=C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][#Branch1][O][C@@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4228900 | [C][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Ring1][N] |
CHEMBL4228901 | [N][#C][C][=C][C][=C][Branch2][Ring2][Branch2][/C][=N][/N][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][#C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=C] |
CHEMBL4228902 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring1] |
CHEMBL4228994 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C] |
CHEMBL4228995 | [Cl][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][N][=C][Branch2][Ring1][N][N][C][C][C][C][C][N][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][N][NH1][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4228996 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][N][C][C][Ring2][Ring1][N] |
CHEMBL4228997 | [O][=C][C][C][C][Branch2][Ring2][Ring1][N][C][C][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O][C][=Branch1][C][=O][N][Ring2][Ring1][=N] |
CHEMBL4228998 | [O][=C][Branch1][N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=C] |
CHEMBL4229081 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][N][=C][N][=C][Branch2][Ring1][#Branch1][N][C@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][C][=N][Ring2][Ring1][=C] |
CHEMBL4229082 | [C][C][=C][C][Branch1][Branch1][/C][=C][/C][#N][=C][C][Branch1][C][C][=C][Ring1][O][O][C][=C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] |
CHEMBL4229083 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][S][N][N][=C][Branch1][=N][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch2] |
CHEMBL4229084 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][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][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O] |
CHEMBL4229085 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][C][=C][N][Branch2][Ring1][P][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2][N][=Ring2][Ring1][=N] |
CHEMBL4229169 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4229170 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C@@H1][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][=C][Branch2][Ring1][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O][C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch1] |
CHEMBL4229171 | [C][O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C@@H1][Branch1][#C][C][=C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C@@][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=N][C][C][=C][O][C][Ring1][=Branch2][=Ring1][Branch1] |
CHEMBL4229172 | [Cl][C][=C][C][=C][Branch2][Ring2][S][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][N][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL4229173 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4229174 | [N][#C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][=C] |
CHEMBL4229257 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4229258 | [N][C][C][O][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2][Cl] |
CHEMBL4229259 | [N][#C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=N] |
CHEMBL4229260 | [O][=C][Branch1][=Branch1][N][O][C][C][O][C][=C][C][C][=C][O][C][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][F] |
CHEMBL4289345 | [C][N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][C][=C][Ring1][Branch2][Ring2][Ring1][=C] |
CHEMBL4289346 | [N][=C][Branch1][C][N][N][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CHEMBL4289347 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][=N][C][O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4289348 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][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][#Branch1][C][C][=Branch1][C][=O][O][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][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][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][Branch2][O][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch2][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][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][=Branch1][C][=O][O][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][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C] |
CHEMBL4289349 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][S][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][C@H1][Ring2][Ring1][#Branch1][N][C][Branch1][C][C][=O] |
CHEMBL4289350 | [C][C][N][C][C][N][Branch2][Branch1][O][C][C][=C][C][=C][Branch2][Ring2][=C][N][C][=N][C][=C][Branch1][C][F][C][Branch2][Ring1][=C][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=N][Ring1][O][=N][Ring2][Ring1][=Branch1][N][=C][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring2] |
CHEMBL4289430 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Ring1][=C] |
CHEMBL4289431 | [C][N][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#C][=S] |
CHEMBL4289432 | [O][=C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4289433 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][C][=Branch1][#Branch1][=N][NH1][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4289513 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4289514 | [C][O][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][=C][Ring2][Ring2][N][O][C] |
CHEMBL4289515 | [F][C][Branch1][C][F][Branch1][C][F][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4289516 | [C][C][Branch1][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] |
CHEMBL4289517 | [C][C][N][C][=Branch1][C][=O][/C][=Branch1][O][=C][\C][=C][/S][C][C][N][Ring1][Branch1][C][O][C][Ring1][=C][=S] |
CHEMBL4289518 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][O][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4289597 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][N][C][O][Ring2][Ring1][Branch1] |
CHEMBL4289598 | [C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][Branch1][C][C][=C][Ring1][#Branch2][O][C][C][N][Branch2][Ring1][#Branch1][C][C][O][C][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl].[Cl] |
CHEMBL4289599 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring2][O][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Branch1][=Branch2][Ring2][Branch1][=Branch1].[Br-1] |
CHEMBL4289600 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=S][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4289601 | [O][=C][C][=C][Branch2][Ring1][#Branch1][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][=N][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][O] |
CHEMBL4289602 | [C][C][C][Branch1][N][O][C][C][Branch1][C][O][C][Branch1][C][C][C][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=Ring2][Ring2][Branch2][Ring2][Ring1][=C] |
CHEMBL4289603 | [N][#C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4289604 | [C][C@H1][Branch2][Branch1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][S][C][N][C][=N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][Branch1][C][C][N][=C][Ring1][=N][C][Ring1][P][=O][C][C][Ring2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4289691 | [N][C][=C][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring2][Ring1][=Branch1] |
CHEMBL4289692 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=C] |
CHEMBL4289693 | [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][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL4289694 | [C][O][P][=Branch1][C][=O][Branch1][C][O][C][C@H1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O] |
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