chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL8401
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C]
|
CHEMBL8403
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch1][=N][O][C][=C][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][=C][Ring1][=C]
|
CHEMBL8406
|
[N][#C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring2][Ring2][Ring1]
|
CHEMBL8153
|
[C][C][NH1][C][=N][C][=Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8240
|
[C][C][NH1][C][=N][C][=Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8086
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL8087
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O]
|
CHEMBL8174
|
[C][O][C][=C][C][=Branch1][P][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][#C]
|
CHEMBL8175
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][=C][C][=C][Ring1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C]
|
CHEMBL8200
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][S]
|
CHEMBL1163211
|
[Cl][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][C][Ring1][Branch1]
|
CHEMBL8201
|
[N][C][C][C][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL8202
|
[C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][O]
|
CHEMBL8203
|
[C][O][C][=C][C][=C][NH1][C][=C][C][=C][C][=C][N+1][Branch2][Branch1][=N][C][C][N][C][C][C][Branch2][Ring2][#C][C][C][C][C][C][N][Branch2][Ring1][P][C][C][N+1][=C][C][=C][C][=C][C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][O][C][C][Ring2][Ring2][Ring1][=C][C][Ring2][Ring2][O][=C][Ring2][Ring2][#C][C][Ring2][Branch1][C][=C][Ring2][Branch1][=Branch1].[C][S][=Branch1][C][=O][=Branch1][C][=O][O-1].[C][S][=Branch1][C][=O][=Branch1][C][=O][O-1]
|
CHEMBL8283
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL8284
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O]
|
CHEMBL8494
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8495
|
[C][C][C][N][C][=Branch1][C][=O][NH1][C][NH1][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][=N][C][=Ring2][Ring1][Branch2][C][Ring2][Ring1][=N][=O]
|
CHEMBL8496
|
[O][=C][Branch2][Ring2][#C][C][C@@H1][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][O][N][O]
|
CHEMBL8581
|
[C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#C][C][C][=C][C][=C][NH1][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][Ring1][#C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][=C][Ring1][#Branch1]
|
CHEMBL8242
|
[O][=C][C@@H1][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][NH1][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2]
|
CHEMBL8331
|
[C][O][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][N][C][C][C][N][Branch1][C][C][C][C][=C][C][N][=C][N][Branch1][N][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][O][C][C][=Ring1][#Branch2][Ring2][Ring1][Branch1]
|
CHEMBL3309350
|
[C][C@@H1][Branch2][Ring1][N][C][C][C@H1][C][Branch1][Ring1][C][O][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@][Ring1][Branch2][Ring1][=C][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL8176
|
[O][=C][O][C][=Branch1][C][=O][C][C][C][C][C][Ring1][=Branch2][Ring1][Branch1][C][C][C][C][Ring1][=Branch2][O][Ring1][Branch1]
|
CHEMBL8177
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Br][=C][Ring2][Ring1][C]
|
CHEMBL8178
|
[C][C][=N][C][Branch1][C][O][=C][Branch1][C][N][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O]
|
CHEMBL8259
|
[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Branch1][C][Cl][Cl][C@H1][Ring1][Branch2][S][C][Ring1][#C].[Na+1]
|
CHEMBL8260
|
[O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][Ring1][=Branch2]
|
CHEMBL8261
|
[C][N][C][=C][Branch2][Ring1][Branch1][C][=N][C][C][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL3311514
|
[C][C][=Branch1][C][=O][C][C][C][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][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][N][=O]
|
CHEMBL3311515
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][C][C@@H1][N][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL52
|
[C][C][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL8022
|
[C][N][Branch1][C][C][C][C][N][C][=C][C][=C][C][Branch1][O][C][N][Branch1][Ring2][C][C][O][C][C][O][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1][Ring1][N]
|
CHEMBL8024
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL8497
|
[O][=C][Branch1][N][N][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1]
|
CHEMBL8498
|
[C][C][C@H1][C][C][C][Branch2][Ring1][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][O][Ring1][#Branch1][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2]
|
CHEMBL8499
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=N][C][=C][NH1][Ring1][Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][C]
|
CHEMBL8500
|
[C][O][C][=C][C][=C][C][Branch1][=N][O][C][=C][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][=C][Ring1][=C]
|
CHEMBL8332
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][C]
|
CHEMBL8333
|
[C][C][C][C@H1][C][C][C][Branch2][Ring1][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][O][Ring1][#Branch1][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2]
|
CHEMBL8334
|
[C][O][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4303145
|
[O][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][=N]
|
CHEMBL4303146
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][=C][C][C][C][N][Ring1][Branch1][C]
|
CHEMBL8065
|
[N][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
|
CHEMBL8066
|
[C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring1][#Branch1][Branch1][C][C][C][C][C][C][Ring1][N][O][Ring1][Branch1]
|
CHEMBL8264
|
[N][=C][Branch1][=Branch2][N][C][C][C][=Branch1][C][=O][O][N][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[Na+1].[Na+1]
|
CHEMBL8353
|
[C][O][N][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][S][C@H1][Ring1][P][Ring1][=C].[Na+1]
|
CHEMBL49
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL8354
|
[C][O][N][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL3311524
|
[C][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][P][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][/C][Ring1][#Branch2][=N][\S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][#C][O]
|
CHEMBL8025
|
[N][#C][N][/C][=Branch2][Ring2][#Branch1][=N][\C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL4553717
|
[N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][F][C][=C][Ring1][#Branch2]
|
CHEMBL4559922
|
[C][C][Branch1][C][C][Branch1][C][C][C][=N][N][C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][NH1][C][Ring1][#C][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL4559923
|
[C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4559924
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=Branch2][Ring1][Branch1][=N][C][=Branch1][C][=O][C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][N][Ring2][Ring1][Ring2][C]
|
CHEMBL4559925
|
[C][O][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][C][C][Ring1][P]
|
CHEMBL4559926
|
[O][=C][Branch2][Ring2][=Branch2][C][C][C][C][C][N][C][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][Branch1][C][Cl][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][#C][C][=N][Ring2][Ring1][Branch1][N][O]
|
CHEMBL8112
|
[O][=C][C@@H1][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][N][Ring2][Ring1][Ring1][C][C][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL8113
|
[S][C][=N][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1]
|
CHEMBL8114
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][N+1][=Branch1][C][=O][O-1]
|
CHEMBL8115
|
[C][O][C][=C][C][=Branch1][S][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1][O][C][O][Ring1][=C]
|
CHEMBL8680
|
[C][O][C][=C][Branch1][O][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1]
|
CHEMBL8681
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]
|
CHEMBL8682
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL8683
|
[C][O][C][=C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch2][C][=C][Ring1][=C][O][C]
|
CHEMBL8686
|
[O][=C][Branch2][Ring1][Ring2][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][#C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][O][C][C][O][Ring1][N]
|
CHEMBL8688
|
[C][C][N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][Ring2][Ring2][Ring1][=Branch1][C][=O][=O][O][C][C][O][Ring1][O]
|
CHEMBL8690
|
[C][C][C][C][C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring1][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8067
|
[O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S]
|
CHEMBL8068
|
[C][C][=N][C][Branch1][C][O][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O]
|
CHEMBL8069
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch2][C][Branch1][C][F][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring2]
|
CHEMBL8070
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][=N][C][N][C][=Branch1][C][=O][N][Branch1][C][C][N][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL8157
|
[O][=C][Branch1][C][O][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8356
|
[C][C][N][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=N][Ring1][S][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2][=N][O][Ring2][Ring1][S]
|
CHEMBL8088
|
[N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL8089
|
[C][C][Branch1][C][C][C][C][C@][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][C@@][Ring1][Branch2][Branch1][C][C][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring1][S][Ring1][O][C][C][Ring2][Ring2][Ring1][C][Ring2][Ring2][Branch2]
|
CHEMBL8090
|
[N][C][=C][C][Branch2][Ring2][P][C][=N][O][C][Branch1][Branch1][C][N][C][=O][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=N][Ring1][S][C][Ring2][Ring1][N][=C][C][=C][Ring2][Ring2][C][Cl]
|
CHEMBL3311529
|
[O][=C][C][=C][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][Ring1][N]
|
CHEMBL8116
|
[N][#C][C][=C][C][=C][Branch2][Ring2][N][C][=Branch1][C][=O][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][P]
|
CHEMBL8205
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring2]
|
CHEMBL8206
|
[C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#C][C][C][C][=C][NH1][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=Branch2][C][Ring1][#C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][=C][Ring1][#Branch1]
|
CHEMBL8407
|
[O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
CHEMBL8408
|
[C][C][Branch1][C][C][Branch2][Ring2][#Branch2][C][C][C][O][C][=C][C][=C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8410
|
[C][C][N][N][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Branch1][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][O][Ring1][Branch1][=C][N][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=N]
|
CHEMBL457
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Ring1][P]
|
CHEMBL8160
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][Branch1][C][C][=O]
|
CHEMBL8244
|
[S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL8091
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O][C]
|
CHEMBL8092
|
[N][C][=N][C][Branch1][C][O][=C][N][=C][Branch1][C][N][N][Branch1][=Branch1][C][O][C][C][I][C][Ring1][O][=N][Ring1][S]
|
CHEMBL8093
|
[C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL8179
|
[C][C][=C][C][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][C][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][#Branch2]
|
CHEMBL8180
|
[C][C][C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][/C][=C][\C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][O][O][Ring1][=Branch2]
|
CHEMBL3311542
|
[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][C][C@H1][C][Branch1][Ring1][C][O][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@][Ring1][Branch2][Ring1][=C][C]
|
CHEMBL8208
|
[C][=C][C][=C][C][Branch1][P][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL8287
|
[N][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL8288
|
[C][C][Branch1][C][C][Branch1][C][C][C][#C][C][C][C][C][=C][S][C][=Ring1][Branch1][C][Branch1][C][N][=N][Ring1][#Branch2]
|
CHEMBL8289
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8290
|
[O][=C][Branch1][C][O-1][C@H1][/C][=Branch1][Ring2][=C][/C][O][O][C@@H1][C][C][=Branch1][C][=O][N][Ring1][Branch1][Ring1][O].[Na+1]
|
CHEMBL8582
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][N][=C][N][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][S][=C][Ring1][=C][Ring1][O][O][C][O][Ring1][O]
|
CHEMBL8584
|
[C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][C][C][Branch1][C][C][N]
|
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