chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL4284645
|
[C][C][N][C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][=N][C][=C][Branch1][C][N][N][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][Ring1][O][=C][Ring1][S][Ring2][Ring1][#Branch2]
|
CHEMBL4284730
|
[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][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring2][Ring2][=Branch1]
|
CHEMBL4284731
|
[C][=C][N][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1]
|
CHEMBL4284732
|
[C][N][Branch2][Ring2][#C][C][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][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F]
|
CHEMBL4284733
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][C][C][C][Ring1][Ring2][=C][Ring2][Ring1][=N]
|
CHEMBL4284734
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][O][C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N][=N][C][Ring2][Ring2][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL4284735
|
[C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch2][Ring1][O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4284736
|
[C][C][C][C][C][C][C][=C][C][=C][Branch2][=Branch1][#C][C][=C][C][=C][Branch2][=Branch1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][N][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][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][B][Branch1][C][O][O][C@@H1][Branch1][C][C][O][C][=C][Ring2][Ring2][O][C][=C][Ring2][Ring2][P]
|
CHEMBL4284737
|
[C][C][C][Branch1][C][C][C][Branch1][C][C][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=N][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring2][F][C][=C][Ring2][Ring1][O][Ring2][Ring1][S]
|
CHEMBL4284826
|
[C][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][=C][Ring2][Ring1][Ring1]
|
CHEMBL4284827
|
[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][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]
|
CHEMBL4284828
|
[C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][N][=N][N][Ring1][=C][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2]
|
CHEMBL4284829
|
[C][C][C][C][C][C][C][C][C][C][C][C][S][C][=Branch1][Ring1][=N][C][N][C]
|
CHEMBL4284911
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][=N][Ring1][P][=C][Ring2][Ring1][Branch2]
|
CHEMBL4284912
|
[C][C][=C][C][=C][C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][N][Branch1][C][C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring2][Ring1][C][=C][Ring2][Ring1][O]
|
CHEMBL4284913
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=Branch1][C][=S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4284914
|
[C][C][C][S][C][=Branch1][C][=S][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][Ring1][O]
|
CHEMBL4284990
|
[C][C][Branch1][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O]
|
CHEMBL4284991
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=N][C][C@H1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][O][C]
|
CHEMBL4284992
|
[C][C][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]
|
CHEMBL4284993
|
[C][C][C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Branch1][C][N][N][=C][Ring1][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL4284994
|
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][=Ring2][Ring1][C]
|
CHEMBL4285070
|
[C][C][O][C][=Branch1][C][=O][C][N+1][=C][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
|
CHEMBL4285071
|
[O][=C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4285072
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][O]
|
CHEMBL4285073
|
[C][C][C][C][C][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][S][Ring2][Ring1][#Branch1][=Branch1][C][=O][=O]
|
CHEMBL4285158
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL4285159
|
[C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL4285160
|
[O][=C][Branch1][Branch2][C][=C][N][=C][O][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]
|
CHEMBL4285161
|
[O][=C][Branch1][Ring1][N][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=N][O][N][=C][Ring1][Branch1][/C][=Branch1][Ring1][=N][/O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=N]
|
CHEMBL4285162
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=Branch2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#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][Branch3][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][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][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch2][#Branch1][N][C][=Branch1][C][=O][C@@H1][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][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][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][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O]
|
CHEMBL4285242
|
[O][=C][C][=C][Branch2][Ring1][#Branch1][S][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][=N][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][O]
|
CHEMBL4285243
|
[C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][C][#N][=C][NH1][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4285244
|
[O][=C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][C][N][=C][N][Ring2][Ring1][=Branch1][C][C][Branch1][C][O][C][O]
|
CHEMBL4285245
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][Ring1][C][O][C@H1][Branch2][Ring2][Ring2][C][C][C@@H1][C@@][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][O][C][C][C@][Ring1][#C][Ring2][Ring1][Branch1][C][C@@H1][Ring2][Ring1][S][Ring2][Ring1][=N]
|
CHEMBL4285246
|
[C][N][Branch2][Ring2][=N][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#C][C][N][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][N][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CHEMBL4285247
|
[C][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][S][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][=C][O][C][C][C][C][C][=C][N][Branch2][Ring2][=C][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][Ring2][C][=C][Ring2][Ring2][#C][=C][Ring2][Branch1][#Branch2]
|
CHEMBL4285248
|
[C][O][C][=C][C][=C][O][C][=C][C][=Branch2][Ring1][#Branch1][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P][O][C][C][C][=C][C][=C][Branch1][O][C][Branch1][C][O][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C@][Ring1][=Branch2][Branch1][C][C][C][Ring2][Ring1][C]
|
CHEMBL4285249
|
[C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL4285321
|
[O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][N]
|
CHEMBL4285322
|
[O][=C][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N]
|
CHEMBL4285323
|
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C]
|
CHEMBL4285324
|
[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]
|
CHEMBL4285408
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][N][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][C][=C][Ring2][Ring1][=N]
|
CHEMBL4285409
|
[C][N][C][=C][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=Branch2][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][N][Ring2][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][=N][C][=N][Ring2][Ring2][Ring2]
|
CHEMBL4285410
|
[C][C][=C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][Branch1][C][C][=C][Ring1][P][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N]
|
CHEMBL4285411
|
[C][C][C][C][C][C][C][C][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]
|
CHEMBL4285412
|
[C][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][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
CHEMBL4285494
|
[C][C][C@H1][Branch1][C][C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C]
|
CHEMBL4285495
|
[C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=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][=Branch1][C][C][C][Ring1][Ring1]
|
CHEMBL4285496
|
[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][Ring2][=C][\C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL4285497
|
[C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C@H1][Branch1][#C][O][C][=Branch1][C][=O][C@][Branch1][C][C][O][C@@H1][Ring1][Ring2][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][/C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][\C][C@@][Branch1][C][C][O][C@H1][Ring2][Ring1][O][Ring1][Ring2]
|
CHEMBL4285498
|
[C][=C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=C][C][Branch1][Ring2][C][C][=C][=C][C][=C][Ring1][=Branch2][O][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][N]
|
CHEMBL4285499
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][P][/C][=C][/C][C][=C][Branch2][Ring2][Ring2][/C][=C][/C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][NH1][N][=Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring2][O][C]
|
CHEMBL4285582
|
[C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][P][O][C][C@H1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL4285583
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring1][P]
|
CHEMBL4285584
|
[C][N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C][Branch1][C][N][=O]
|
CHEMBL4285585
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring2][P]
|
CHEMBL4285659
|
[C][C][C][O][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][=C][Ring2][Ring1][Branch2]
|
CHEMBL4285660
|
[N][C][O][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P][N][=C][C][=C][Ring2][Ring1][#Branch1][C][=Ring2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL4285661
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Ring1][Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][=C][Ring2][Ring1][N]
|
CHEMBL4285662
|
[C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch2][Ring1][=N][C][Branch1][C][O][C][=C][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][O][Ring2][Ring1][=Branch1]
|
CHEMBL4285663
|
[C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4285664
|
[C][C][Branch1][C][C][C][=C][C@H1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Branch1][C][C][C@@][Ring2][Ring1][=Branch2][Branch1][C][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][C][C@@][Ring2][Ring2][Ring1][Branch2][Ring1][Branch1][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring1][N][C][C][Ring2][Branch1][C][=O]
|
CHEMBL4285739
|
[C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][C][=N][C][=C][Ring2][Ring1][C][C][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][=C][N][Ring1][S][C]
|
CHEMBL4285740
|
[C][C][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL4285741
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][Ring2][Ring1][C]
|
CHEMBL4285742
|
[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][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4285743
|
[O][=C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1][S][Ring2][Ring1][#Branch2][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F]
|
CHEMBL4285744
|
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][C][O][C@H1][C][O][C@@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P]
|
CHEMBL4285833
|
[Cl][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][C][=C][C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][=C][N][Ring1][=N][C][=Ring1][S][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL4285834
|
[C][C][C][=C][C][=C][Branch1][S][S][C][=Branch1][C][=S][N][C][C][/C][=C][/S+1][Branch1][C][C][O-1][C][=C][Ring1][P]
|
CHEMBL4285835
|
[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL4285836
|
[C][Si][Branch1][C][C][Branch1][C][C][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL4285922
|
[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]
|
CHEMBL4285923
|
[C][C][C][C][N][C][C][C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][NH1][Ring1][=N][S][C][=Ring2][Ring1][C][Ring2][Ring1][=Branch1]
|
CHEMBL4285924
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2]
|
CHEMBL4285925
|
[O][=C][Branch1][C][O][C][S][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][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
|
CHEMBL4286004
|
[C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][C][C][C][C][N][C][C][C][C][Ring1][Branch1][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][Ring2][Ring1][N][=C][Ring2][Ring1][S]
|
CHEMBL4286005
|
[C][O][C][C][C][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]
|
CHEMBL4286006
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][C][N][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][Branch2][N][=Ring2][Ring1][Ring1][=C][Ring2][Ring1][O]
|
CHEMBL4286081
|
[O][=C][Branch1][C][O][C][C][C][=C][N][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][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][S][Ring2][Ring1][#Branch2]
|
CHEMBL4286082
|
[C][C][Branch1][C][C][C][C][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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][=Branch1][C][=Branch1][C][=O][C][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][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][Ring1][S][C][=Branch1][C][=O][C][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][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]
|
CHEMBL4286083
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N]
|
CHEMBL4286084
|
[F][C][Branch1][C][F][Branch1][C][F][S][C][=C][C][=C][Branch1][N][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C]
|
CHEMBL4286085
|
[C][C][C@H1][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]
|
CHEMBL4286165
|
[O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1][F]
|
CHEMBL4286166
|
[C][C][N][Branch2][Ring1][Ring1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2].[Cl].[Cl].[Cl]
|
CHEMBL4286167
|
[C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring1][S]
|
CHEMBL4286168
|
[C][C][=C][S][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][#C][=N][Ring2][Ring1][#Branch1]
|
CHEMBL4286169
|
[C][C@@H1][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][Ring1][Branch1][C][C][C@][Ring2][Ring1][Branch2][Branch1][C][C][C][C][C@@][Ring2][Ring1][=N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][O][C][C][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@H1][Ring2][Branch1][O][C].[Br-1]
|
CHEMBL4286262
|
[C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2][C][=C][Ring1][S][=C][C][=C][Ring2][Ring1][=Branch1][F]
|
CHEMBL4286263
|
[O][=C][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C]
|
CHEMBL4286264
|
[C][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][#Branch2][O][C][C][C][C][C][=C][N][Branch2][Ring2][#Branch2][C][C][O][C][C][O][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][S][C][=C][Ring2][Ring2][O][=C][Ring2][Branch1][=Branch1]
|
CHEMBL4286265
|
[C][=C][C][C][C@@H1][C@][Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C][C][C@@][Ring1][N][Branch1][C][C][C@@H1][Ring1][P][/C][=C][/C][=C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL4286266
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][\C][C][C][/C][=Branch1][O][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL4286267
|
[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][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][N][Ring2][Ring2][=Branch1]
|
CHEMBL4286268
|
[C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][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]
|
CHEMBL4286354
|
[C][N][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][=Branch2][Ring1][#Branch2]
|
CHEMBL4286355
|
[N][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.