chembl_id
stringlengths
7
13
selfies
stringlengths
3
6.7k
CHEMBL10197
[S][C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][N][=N][NH1][Ring1][Branch1]
CHEMBL10198
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][O][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2]
CHEMBL10141
[C][O][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#C][Ring1][#Branch1]
CHEMBL1163311
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch2][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
CHEMBL10218
[C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
CHEMBL10220
[Cl][C][=C][C][=C][Branch2][Ring1][#Branch2][C@H1][O][C][O][C@][Ring1][Branch1][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch2]
CHEMBL9927
[C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=N][N][Ring1][P][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][S][Ring1][#C]
CHEMBL9928
[C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring1][S][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][S][Ring1][#C]
CHEMBL1163312
[C][C][Branch1][C][C][C@H1][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
CHEMBL10002
[3H][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch2][Ring2][#C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Ring2][Ring2][=Branch1]
CHEMBL84
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][Branch1][C][O][=C][C][=C][Ring1][O][N][=C][Ring1][#C][Ring2][Ring1][Ring2]
CHEMBL10236
[C][C][C][N][C][C][C][C@@H1][C][=C][C][=C][N][C][=C][Branch1][C][C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][C@H1][Ring1][=N][Ring1][P]
CHEMBL10237
[C][C][N][Branch2][Ring1][#Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
CHEMBL9944
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
CHEMBL492
[C][C][C][N][Branch1][Ring1][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
CHEMBL9945
[O][=C][O][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
CHEMBL10199
[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][N][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][P][O][C][C]
CHEMBL10200
[O][=S][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][#Branch2]
CHEMBL491
[C][C][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]
CHEMBL10201
[O][C][C][N][Branch1][Ring2][C][C][O][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1]
CHEMBL9963
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][N][=N][NH1][Ring1][Branch1]
CHEMBL10222
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][O][Ring1][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#C]
CHEMBL10223
[O][=C][O][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]
CHEMBL9981
[C][C][Branch2][Ring2][Branch1][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
CHEMBL9982
[C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][S+1][Branch1][C][O-1][C][C][=N][C][=C][C][Branch1][Ring2][S][C][C][=C][Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
CHEMBL3310038
[O][=C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
CHEMBL10003
[O][=C][O][C][Branch1][=N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
CHEMBL10004
[O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][S][O][C][C][C][C][C][C][C][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Branch1][C][O][N][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring2][O]
CHEMBL10005
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=N][C][C][C][N][Ring2][Ring1][=N][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1]
CHEMBL10006
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch1][C][Ring2][Ring1][#Branch1][N][Branch1][C][C][C][C][C][Ring2][Ring1][O][Ring1][Branch2][Ring2][Ring1][Branch2]
CHEMBL9946
[C][C][C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][N][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C]
CHEMBL9947
[C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
CHEMBL10022
[C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][N][C][Branch1][=C][S+1][Branch1][C][O-1][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
CHEMBL10023
[C][C][C][C][C][Branch1][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL10024
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][C][=C][C][=C][Branch1][#Branch2][N][C][=N][C][C][C][N][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]
CHEMBL9964
[C][C][S][C][=C][C][=N][C][Branch2][Ring2][#Branch1][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Ring2][Ring1][N][C]
CHEMBL9965
[C][=C][N][=C][C][Branch1][#Branch2][O][C][C][C][C][N][C][Ring1][=Branch1][=C][Ring1][=N]
CHEMBL9966
[O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][O]
CHEMBL9967
[C][N][C][C][N][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch2]
CHEMBL10040
[C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=C][C][C][C][Branch1][C][N][Branch1][Ring1][C][O][C][C][C][C][=C][Ring1][#C]
CHEMBL10041
[C][C][/C][=Branch2][Ring1][=C][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
CHEMBL9983
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][Branch1][C][O][C@][Branch1][Ring1][C][O][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch1][C][Ring2][Ring1][#Branch1][N][Branch1][C][C][C][C][C][Ring2][Ring1][O][Ring1][Branch2][Ring2][Ring1][Branch2]
CHEMBL9984
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][N]
CHEMBL10063
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][P][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][C][N][Ring1][=Branch1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
CHEMBL10064
[C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][O][C][=Branch1][C][=O][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
CHEMBL10085
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][C][Ring2][Ring1][Branch1]
CHEMBL10086
[O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][O]
CHEMBL10087
[C][C][O][C][C][N][C][Branch2][Ring1][Ring2][S+1][Branch1][C][O-1][C][C][=N][C][=C][C][Branch1][Ring2][S][C][C][=C][Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
CHEMBL10160
[C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL10025
[C][O][P][=Branch1][C][=O][Branch2][Ring2][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][O][C]
CHEMBL10026
[O][=C][/C][=Branch1][#Branch2][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1]
CHEMBL10102
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][O][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
CHEMBL10103
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][C][Branch1][Ring1][N][=O][=C][Branch1][C][O][NH1][C][=Ring1][Branch2][C][=C][Ring1][N][C][C][C][C][Ring1][=Branch1]
CHEMBL10104
[C][C][C][C][C][C][N][/N][=C][\C][C][C][C][Ring1][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O]
CHEMBL10042
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][O][N][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1]
CHEMBL10044
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2]
CHEMBL10045
[Cl][C][=C][C][=C][Branch2][Ring1][Branch1][S][C][=C][C][=C][Branch1][#Branch2][C][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]
CHEMBL10124
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][N][Ring1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
CHEMBL10125
[C][C][N][Branch2][Ring1][O][C][=N][C][Branch1][C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
CHEMBL10065
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch2]
CHEMBL487
[C][C][/C][=Branch2][Ring2][C][=C][Branch2][Ring1][Ring1][/C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL10066
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=O]
CHEMBL10142
[C][O][C][=C][C][Branch1][C][Br][=C][Branch2][Ring2][#Branch1][N][C][Branch1][C][C][=N][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][Branch1][C][C][N][=C][Ring1][P][Ring2][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C]
CHEMBL10143
[C][C][Branch1][C][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][=C]
CHEMBL10311
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
CHEMBL10312
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][#Branch2]
CHEMBL10313
[C][C][C][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
CHEMBL10314
[C][N][Branch1][C][C][C][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL10315
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][Ring2][N][N][=N][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][Branch1][C][C][N][=C][Ring1][P][Ring2][Ring1][Ring2][C][Branch1][C][C][=C][Ring2][Ring1][N]
CHEMBL10247
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL10334
[C][C][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL10335
[C][S][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=N][C][C][#C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
CHEMBL10336
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]
CHEMBL10337
[O][=C][O][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
CHEMBL10358
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1][=C][Ring1][N][O][C][=C][Ring2][Ring1][=Branch1]
CHEMBL10438
[C][C][Branch1][C][C][Branch1][C][C][C][C][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Branch1][Branch1][O][C][Ring1][=C][O][C][Ring1][S]
CHEMBL1163321
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch2][#C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
CHEMBL10439
[C][C][C][C][C][C][Branch1][C][O][/C][=C][/C][C][C][C][C][C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][O][Ring1][#C]
CHEMBL10440
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring1][Branch2][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
CHEMBL10441
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Branch1][C][=O][C][=C][Ring1][S][C][C][C][C][Ring1][=Branch1]
CHEMBL10442
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][Branch2][C][/C][=C][\C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1]
CHEMBL10374
[C][O][C][=C][C][=C][Branch2][Ring2][O][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
CHEMBL10375
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL10376
[C][C][O][C][C][=C][Branch1][C][O][C][=C][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][O][Ring1][=Branch1][C][N][C][Ring1][#Branch1][=C][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][O][C][=Branch1][C][=O][C@][Ring1][=Branch2][Branch1][C][O][C][C]
CHEMBL10377
[C][C][Branch2][Ring1][#Branch1][/C][=C][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][Ring1][=Branch2][=O][=C][\C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
CHEMBL10378
[O][=C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
CHEMBL10396
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O]
CHEMBL10397
[O][=C][O][C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
CHEMBL10398
[C][C][S][C][=C][C][=N][C][Branch2][Ring1][=Branch1][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][O][Ring1][Ring1][=C][Ring2][Ring1][Branch1][C]
CHEMBL10399
[O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][O]
CHEMBL10400
[O][=C][Branch1][C][O][C][C][C][/C][=C][/C][C@H1][C@H1][Branch1][#C][/C][=N][/O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][#C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][O][Ring1][P]
CHEMBL10338
[C][C][Branch1][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C]
CHEMBL10339
[C][C][C][C][C][C][Branch1][C][O][=N][O][C][=Ring1][=Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][O]
CHEMBL10417
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][Branch1]
CHEMBL10418
[C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][Branch1][C][O][Ring1][N][C@H1][Ring1][=C][C][/C][=C][/C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][P]
CHEMBL10419
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][N][=C][Ring1][=C][Ring2][Ring1][Ring1]
CHEMBL10444
[O][=C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][#Branch2]
CHEMBL10521
[C][C][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
CHEMBL10522
[C][C][C][N][Branch2][Ring2][#C][C][C][C][N][Branch2][Ring2][Ring1][C][C][N][C][C][N][Branch2][Ring1][Branch1][C][C][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][N][C][C][Ring2][Ring2][C]
CHEMBL10523
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]