Datasets:
gbyuvd
/
coconut-chembl34-mol-sim

Dataset card Data Studio Files
xet
 Community
1
score
float64
0
1
text1
stringlengths
30
2.07k
text2
stringlengths
30
2.07k
0.57
[O][=C][N][C][C][C][C][Ring1][=Branch1][=C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring2][Ring1][C][C][C]
[O][=C][C][=C][Branch2][Ring2][=Branch1][O][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][NH1][C][=Branch1][=N][=N][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C]
0.38
[O][=C][O][C][Branch1][C][C][C][Branch2][Ring2][O][N][=C][Branch1][C][O][C][Branch2][Ring1][Branch1][N][=C][Branch1][C][O][C][Branch1][Ring1][O][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch2][=Branch1][#Branch2][=N][C][Branch2][=Branch1][Ring2][C...
[O][=C][C][C][C][Ring1][Ring2][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C]
0.49
[O][=C][N][C][Branch2][Ring1][C][O][C][=Branch1][C][=O][C][C][Branch1][Ring2][N][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C]
[O][=C][Branch3][Ring1][C][Branch2][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][=Branch1][O][C][Ring1][Branch2][C][O][C][Branch1][Ring1][C][=C][Branch1][C][C][C][C][C][=C][Branch2][S][Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][=Branch1][O][C][Ring1][Branch2][C][O][C][Br...
0.55
[O][=C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch2][Branch1][=C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch2][Ring2][=Branch2][O][C][Branch2][Ring1][#C][O][C][Branch1][O][C][Branch1][C][O][C][Branch1][C][O][C][O][C][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Rin...
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Ring1][Branch2][=C][N][Ring1][#C][Ring1][N]
0.59
[O][=C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=N][Ring1][#Branch2][C]
[O][C][C][O][C][Branch2][#Branch1][#Branch1][O][C][C][C][C][Branch1][C][C][C][Branch2][=Branch1][Ring1][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][C][Branch1][#Branch2][C][C][C][Ring2][Ring1][Branch1][R...
0.58
[O][=C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][C][Branch2][=Branch1][=Branch1][C][=Branch1][C][=C][C][Ring1][#Branch1][C][=C][C][C][C][Branch1][C][C][C][C][C][Branch1][P][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Bra...
[O][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Ring1][N][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][O]
0.65
[O][Branch1][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][C]
0.75
[O][=C][Branch1][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][#C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=C][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=N][Ring2][N][C][=Branch1][C][=O][C][Branch2][N][C][N][C][=Branch1][C][...
[O][=C][Branch1][C][O][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][C][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P][C][Branch1][C][C][C]
0.55
[O][=C][Branch1][C][O][C][C][C][C][=C][C][C][O][C][Ring1][Ring1][C][C][=C][C][C][=C][C][C][=C][C][C]
[O][=C][C][=C][Branch2][Branch1][Ring1][C][=C][Branch2][Ring2][=Branch2][C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][C][C][C][Ring2][Ring1][Ring1][Ring1][=N][C][C][Ring2][Ring1][O][=O][C]
0.34
[O][=C][Branch1][C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][C][C][C]
[O][=C][Branch1][Ring1][O][C][C][=Branch2][=Branch1][=Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch2][Branch1][Branch2][C][=C][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][=Branch2][Ring2][=Branch2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][Branch1][C][C][C...
0.53
[O][=C][O][C][Branch2][Branch1][#C][C][Branch2][Branch1][#Branch2][C][=C][C][=C][C][=Branch1][C][=O][O][C][Branch1][O][C][Branch1][#Branch1][C][=C][C][=C][Ring1][P][C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][C][C][Branch1][Ring1][O][C][O][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][Branch1][Ring1][O][C][C]...
[O][=C][Branch1][C][O][C][C][S][C][C][C][S][C][C][C][=Branch1][C][=O][O]
0.66
[O][=C][Branch1][C][O][C][C][#C][C][C][Branch2][Branch2][C][O][C][O][C][=C][C][O][C][=Branch2][=Branch1][Ring2][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][N][C][Branch2][Ring1][S][C][=C][Ring1][P][C][C][NH1][C][=C][C][=Ring1][Branch1][C][#C][C][C][Ring2][Ring1][=N][Branch1][C][O][C][Branc...
[O][=C][Branch1][Ring1][O][C][C][C][C][=C][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][O]
0.57
[O][=C][Branch2][Ring1][S][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][N][=C][Ring1][Branch2][=C][Ring1][S][F][C][=C][C][=C][S][C][C][O][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N]
[O][=C][Branch1][C][O][C][C][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][S][C][C][C][Ring1][S]
0.7
[O][=C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch1][O][C][C][C][C][=C][C][=C][Ring1][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch2]
[O][=C][C][=C][C][Branch2][Branch1][S][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring2][Ring2][O][C][Branch2][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][C][C][Branch1][#Branch2][C][=C][C][Ring1][=Branch2][C][C][Ring1][=Branch1][C][C][Ring1][S][Branch1][C][O][C][C][O][C...
0.5
[O][=C][Branch1][Ring1][O][C][C][C][C][C][C][C][C][=C][C][C][=C][C][C][=C][C][C]
[O][=C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][N][C][=C][Ring1][Branch2][C][=Branch1][Ring2][=C][Ring1][N][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2]
0.59
[O][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][C][Ring1][Branch2][C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C...
[O][C][C][C][Branch1][C][O][C][Branch1][=C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=C][C][C][Ring1][Branch2][C][Branch1][C][C][C][Ring1][#C]
0.79
[O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=C][=Ring2][Ring1][=Branch1]
[O][=C][C][=C][Branch2][Ring2][=Branch2][O][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][Ring1][#Branch2][=O][C][C][Ring1][#Branch1][C][C][=Branch1][C][=O][O][C][C]
0.63
[O][=C][C][=C][Branch2][Ring2][#Branch1][N][=C][N][Ring1][Branch1][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][Ring1][=N][C][=C][C][=C][O][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][#C][C][C]
[O][=C][Branch2][N][Ring1][O][C][C][O][C][Branch2][#Branch2][=C][O][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch2][Branch1][#Branch2][O][C][Branch1][Branch2][C][O][C][=Branch1][C][=O][C][C][Ring2][Ring1][#Branch1][O][C][=Branch1][C...
0.43
[O][=C][O][C][C][C][C][C][=Branch2][Branch1][#Branch2][=C][C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][C][O][C][Branch1][=Branch1][O][C][Ring1][Branch1][C][C][C][=Branch1][Branch1][=C][Ring2][Ring1][=C][C][C][Ring2][Ring1][=N][Branch1][C][C][C][Ring2][Ring1][B...
[O][=C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Branch1][C][C][C]
0.7
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
[O][=C][C][=Branch2][Ring1][#Branch1][=C][O][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][O][C][Branch2][Ring1][=Branch1][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][...
0.78
[O][=C][Branch1][C][O][C][C][C][Branch2][=Branch2][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][Ring1][N][C][=Branch1][C][=O][C][Branch2][#Branch1][Ring2][N][C][=Branch1][C][=O][C][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C][N][C][...
[O][=C][Branch3][Ring1][=Branch1][#Branch1][C][=C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][C][C][Branch1][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][O][C][Branch3][Ring1][C][P][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][C][C...
0.47
[O][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][N][=C][Branch1][Branch2][C][=C][Ring2][Ring1][=C][Ring1][#Branch1][C][C][C]...
[O][=C][Branch1][C][O][C][C][=C][C][=C][N][=C][C][=C][Ring1][=Branch1]
0.52
[O][=C][Branch1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][C][C][Branch1][C][C][C][C][C][Branch2][Branch1][Branch2][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][O][C][Branch2][Ring1][Branch1][C][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C]...
[O][=C][Branch1][C][O][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][Branch1][O][C][=Branch1][C][=O][C][Branch1][C][N][C][O][C][C][C][Ring1][O][C][C][C][C][N]
0.27
[O][=C][Branch2][Ring2][Branch2][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch2][Ring1][C][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring1][O][C][Ring1][S][C]
[C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][C]
0.51
[O][=C][N][Branch1][Ring1][O][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][C][N][C][C][=Branch1][Ring1][=C][C][C][C][C][Ring1][O][O][C][C][Ring1][N][Ring1][=Branch1]
[O][=C][Branch1][Ring1][O][C][N][C][=N][C][=C][Ring1][Branch1]
0.51
[O][=C][Branch2][Branch2][Ring1][O][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][O][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][C][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring1][N][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Bra...
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][C][C][C][=C][Ring1][=C]
0.67
[O][=C][Branch2][=Branch1][=N][O][C][=C][C][=Branch2][=Branch1][Branch1][=C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][Branch2][Ring2][Branch2][C][Branch2][Ring1][O][C][Branch1][Ring2][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][...
[O][C][C][=Branch1][C][=C][C][C][C][C][C][Branch1][C][O][C][C][=C][Branch1][C][C][C][Ring1][Branch2][Branch1][C][C][C][Ring1][=N]
0.72
[O][=C][C][C][C][=C][C][C][=C][Ring1][Branch1][C][C][Ring1][=Branch2][C][Branch2][Branch1][Branch2][C][Branch2][Branch1][Ring1][C][C][C][Branch2][Ring2][C][C][C][C][Branch2][Ring1][Branch1][C][Branch1][P][C][Ring2][Ring1][C][C][C][C][Branch1][Branch1][C][Ring2][Ring1][Ring2][C][Ring1][=Branch1][O][C][Ring2][Ring1][#Bra...
[O][=C][C][C][C][C][Branch2][=Branch2][=Branch2][O][C][O][C][Branch2][Branch2][#Branch2][C][C][Ring1][Branch1][C][Branch2][#Branch1][P][C][=Branch1][Branch1][=C][C][Ring1][=Branch2][C][C][Branch2][=Branch1][S][O][C][O][C][Branch1][C][C][C][Branch2][Branch1][N][O][C][O][C][Branch1][C][C][C][Branch2][Ring2][Branch2][O][C...
0.92
[O][=C][C][=Branch1][C][=C][C][C][C][C][C][Ring1][Branch2][Branch1][Branch1][C][Ring1][=Branch1][O][C][Branch1][C][O][O][C][Branch1][=Branch2][O][C][C][C][Branch1][C][C][C][C][Ring1][#C][C][Branch1][C][O][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][O]
[O][=C][C][C][C][Branch1][C][C][C][C][C][Branch2][Branch1][=Branch2][O][C][O][C][Branch2][Ring1][C][C][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Ring1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch...
0.59
[O][=C][Branch1][C][O][C][C][C][C][C][C][=C][C][C][O][C][Ring1][Ring1][C][C][=C][C][C][=C][C][C][=C][C][C]
[O][C][C][O][C][Branch2][=Branch1][Branch2][O][C][C][C][C][Branch1][C][C][C][Branch2][Branch1][Ring1][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][Branch1][C][O][C][C][Branch1][=Branch2][C][C][C][Ring1][O][Ring1][Branch1][C][C][Branch2][Ring1][Ring2][O][C][Branch1][Branch2][C][Branch1][C][O][C][Ring1][=Branch1][C][...
0.49
[O][=C][C][Branch1][C][C][C][Branch2][Branch1][#C][O][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][Ring2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Bran...
[O][=C][Branch1][C][O][C][=N][N][Branch2][O][O][C][Branch1][C][O][=C][Ring1][=Branch1][N][=N][C][=C][C][Branch2][=Branch2][O][N][=N][C][=C][Branch1][C][O][C][=C][C][=C][Branch2][=Branch1][S][N][=N][C][=C][C][=Branch2][Branch1][S][=C][C][=C][Branch1][Branch1][S][O][O][O][C][Branch2][Ring2][=Branch1][N][=N][C][=C][C][Bra...
0.75
[O][C][C][O][C][Branch2][#Branch1][=N][O][C][C][Branch2][Ring1][=N][O][C][Branch1][C][C][C][Branch1][C][O][C][Ring1][Branch2][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][O][C][C][C][Branch1][C][O][C][C][=C][C][C][C][Branch2][Ring2][Ring1][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][O][C]...
[O][=C][O][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][C][C][O][C][Branch1][C][C][C][C]
0.25
[O][=C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2]
[O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br][C][Branch1][C][Cl][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]
0.51
[O][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
[O][=C][Branch1][C][O][C][O][C][Branch2][#Branch2][=C][O][C][C][C][C][Branch1][C][C][C][Branch2][=Branch2][#Branch2][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch2][=Branch1][S][C][=Branch1][C][=O][O][C][O][C][C][Branch1][C][O][C][Branch2][Ri...
0.32
[O][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][O][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][C]
[O][=C][Branch1][Ring1][C][C][C][Branch1][#C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
0.52
[O][=C][Branch1][Ring1][O][C][C][=C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][=Branch1]
[O][=C][Branch1][C][O][C][C][C][=Branch2][Branch1][Ring2][=C][C][C][Branch2][Ring2][Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring1][Ring1][O][C][=Branch1][O][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C][Ring2][Ring1][=N][C][=C][C][=B...
0.57
[O][=C][Branch1][C][O][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][C][Branch1][C][C][C]
[O][C][=C][C][=C][C][=C][O][C][Branch1][Ring1][C][O][C][C][C][Ring1][Branch2][=C][O][C][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][=Branch1][O][C][C][C][#C][C][Branch1][#Branch2][N][C][N][C][C][Branch1][C][O][C][C][Ring2][Ring1][Branch1][Branch1][N][O][C][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring2...
0.64
[O][C][=C][C][=C][C][=C][O][C][Branch1][Ring1][C][O][C][C][C][Ring1][Branch2][=C][O][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][=Branch2][C][C][C][O][C][Branch1][N][O][C][N][C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][Ring1][C][N][C][N][C][C][Br...
[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Ring2][O][Ring1][Branch1][C][C][C][=Branch2][Ring1][N][=C][C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][Ring2][C][Ring1][=C][C][Branch1][C][C][C][C]
0.53
[O][=C][Branch1][C][O][C][Branch2][P][O][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][O][C][Branch2][#C][Branch1][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][O][C][Branch2][N][#C][O][C][C][Branch1][C][O][C][Branch2][#Branch1][P][O][C][Branch1][Ring1][C][O][C][Ring1][=Branch2][O][C][O][C][Branch1][Ring1][C][O][...
[O][=C][Branch1][O][C][#C][C][#C][C][Branch1][C][O][C][O][C][C]
0.73
[O][=C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][C][O][C][C][=C][C][=Branch1][C][=O][O][C][Branch2][Branch1][=N][C][Branch1][N][O][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=Ring1][N][C][Ring...
[O][=C][C][=C][C][=Branch2][O][P][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][O][C][O][C][Branch2][=Branch2][#C][C][=C][Branch2][Branch2][Ring1][C][Branch2][=Branch1][Ring2][C][Branch2][Branch1][C][C][=C][Branch1][#Branch1][C][Ring1][#Branch1][=C][Ring1][O][NH1][C][=Branch1][Ring2][=C][Ring1][...
0.77
[O][=C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][C][C][C][C][Ring1][Ring1][C][C][C][Branch1][C][C][C][Branch2][Ring2][B...
[O][=C][C][=Branch1][C][=C][C][C][C][C][C][Ring1][Branch2][Branch2][Ring1][#Branch1][C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][=N][Ring1][Branch2][C][C][Ring2][Ring1][C]
0.39
[O][=C][N][C][C][C][C][Ring1][Branch1][C][=Branch2][O][=Branch2][=N][C][Branch2][#Branch2][O][C][=Branch2][#Branch2][=Branch1][=N][C][Branch2][=Branch2][Branch2][C][=Branch2][=Branch2][Ring1][=N][C][Branch2][Branch2][Branch2][C][=Branch2][Branch2][Ring1][=N][C][Branch2][#Branch1][#Branch1][C][=Branch2][#Branch1][C][=N]...
[O][=C][Branch2][Ring1][N][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][C]
0.72
[O][=C][Branch1][C][O][C][Branch2][=N][Ring1][O][C][C][Branch1][C][O][C][Branch1][O][O][C][Branch1][Ring1][C][O][C][Ring1][=Branch2][O][O][C][C][Branch1][C][O][C][Branch2][O][Ring2][O][C][Branch2][#Branch2][Branch1][O][C][C][Branch2][=Branch2][=N][O][C][Branch2][=Branch1][Branch2][O][C][C][Branch1][C][O][C][Branch1][C]...
[O][=C][N][=C][Branch2][Ring1][Branch1][N][=C][N][C][C][N][C][Ring1][#Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][Ring1][#Branch1][O][N]
0.31
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch1][C][C][O][C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][#Branch2][C][N][Branch1][Ring2][C][Ring1][Branch1][C][C][C][N][Branch1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][=Branch2]
[O][C][C][=C][O][C][Ring1][Branch1][O][C][=Branch1][#Branch1][=C][C][#C][C][#C][C][C][=C][Ring1][O]
0.51
[N][=C][C][=C][NH1][C][O][C][=N][C][Ring1][Branch2][=Ring1][Branch1]
[O][=C][O][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][Branch1][S][C][=Ring1][Branch1][C][Branch2][Branch2][Ring2][N][C][=Branch1][C][=O][C][N][=C][Branch1][Branch1][S][C][=Ring1][Branch1][C][=Branch1][#Branch1][=C][Branch1][Ring1][O][C][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C][N...
0.34
[O][=C][Branch1][N][C][=C][C][=C][C][C][C][#C][C][=C][C][N][C][C][Branch1][C][C][C]
[O][=S][Branch1][Branch1][S][C][C][C][C]
0.66
[O][=C][Branch1][Ring1][O][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Branch2][Branch1][C][C][C][Ring1][=N][C][C][C][Branch1][C][C][C][C][O]
[O][=C][C][=Branch2][#Branch1][S][=C][C][Branch2][Ring2][=Branch1][C][NH1+1][C][=C][Branch1][#Branch2][C][=N][C][=C][C][Ring1][Branch2][Ring1][Branch1][C][C][=C][C][=Branch1][S][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][=C][C][C][Ring2][Ring1][#C][Branch1][B...
0.56
[O][=C][Branch1][O][O][C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C]
[O][=C][O][C][C][Branch1][C][C][C][C][C][Ring1][=Branch1][Branch1][C][O][C][Branch1][C][O][C][Branch2][#Branch1][C][O][C][Ring1][Ring1][C][C][O][C][Branch2][Branch1][#C][O][C][Branch1][=N][C][Branch1][C][C][C][Ring1][P][Ring1][=Branch2][O][Ring1][#Branch1][C][Ring1][#Branch2][Branch1][C][O][C][Branch1][C][O][Branch1][C...
0.4
[O][=C][Branch1][C][O][C][O][C][Branch2][=Branch1][S][O][C][C][C][C][Branch1][C][C][C][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][N][O][C][=Branch1][C][=O][C][=Branch1][Ring1][=C][C][C][C][Ring1][#C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][#Branch1][Branch1][C][C]...
[O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][Ring1][=N]
0.33
[O][=C][N][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=Branch2][#Branch1][#Branch1][=C][O][C][O][C][=Branch2][Ring1][Branch1][=C][Ring1][=Branch1][C][=Ring1][O][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][=C][Ring2][Ring1][Ring2][C][C][=Branch2][Branch1][=Branch1][=C][C][Branch1][C][O][Branch1][C][C][C][Branch...
[O][=C][Branch1][Ring1][O][C][C][C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C]
0.58
[O][=C][Branch2][#Branch1][Ring2][O][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][C][Branch1][C][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][O][C][C][Ring2][Ring1][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring2][...
[O][=C][C][=C][C][=Branch2][Ring1][=N][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Ring1][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][Ring1][#Branch2][C][S][C][=C][C][=Ring1][Branch1]
0.52
[O][=C][Branch1][S][C][=Branch1][N][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C]
[O][=C][Branch1][C][O][C][C][=C][Branch2][Ring1][#C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Branch1][Branch1][C][C][Ring1][#Branch2][C][Branch1][C][C][C][C][C][=Branch1][C][=C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][Branch2][=Branch1][=Branch2][O][C][O][C][C][Branch1][C][O][C][Branch2][Ring1][S][O][C][O][...
0.56
[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][C][Branch2][=C][Ring1][O][C][C][Branch1][C][O][C][Branch2][Ring2][=C][O][C][Branch1][C][C][C][Ring1][Branch2][O][C][O][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Bra...
[O][=C][Branch1][P][O][C][C][C][C][C][C][=C][C][=C][C][=C][C][=C][C][C][C][C][Branch1][C][C][C]
0.42
[O][=C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][Ring1][Branch2][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
[O][=C][Branch1][C][O][C][Branch1][Ring1][O][C][C][C][C][C][=C][C][C][C][C][C][C][Branch1][C][C][C]
0.55
[O][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][C][C][Ring1][=Branch2]
[O][=C][O][C][Branch2][Ring2][C][C][C][=C][C][Branch1][P][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][Ring1][P][C][C][O][C][Branch1][C][C][C][C][C][Ring1][#Branch1]
0.53
[O][=C][Branch1][C][O][C][Branch1][=Branch2][C][=C][C][C][C][C][Ring1][=Branch1][C]
[O][=C][C][=C][C][Branch2][Ring2][N][C][Branch1][C][C][C][C][Branch1][=Branch1][O][C][C][C][O][C][Branch1][C][O][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Ring1][=N][C][Ring2][Ring1][O][Ring2][Ring1][#Branch1][C][Branch2][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][C][Ring1][=Branch...
0.64
[O][=C][Branch2][Branch1][Ring1][O][C][Branch2][Ring1][Ring2][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][O][C][C][Branch1][C][O][C][C][C][C][Branch1][C][C][C][Branch1][=Branch2][C][N][C][=Branch1][C][=N][N][C][C][Ring1][=N][C]
[O][=C][Branch1][C][O][C][C][Branch2][=Branch1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][C][C][C][C][C][Branch1][C][C][C][...
0.48
[O][=C][Branch2][=Branch2][O][N][C][C][Branch1][C][O][O][C][Branch1][Ring1][C][O][C][Branch2][Branch2][=Branch1][O][C][O][C][Branch2][Ring2][O][C][O][C][O][C][Branch2][Ring1][=Branch1][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][Branch1][C][O][C][...
[O][=C][C][C][C][Branch2][Ring2][P][C][=Branch2][Ring2][Branch1][=C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][C][Branch1][=Branch2][C][C][C][Ring1][#Branch2][Ring1][Branch1][C][C][Branch1][Ring1][C][O][C][C][C][=C][Branch1][C][C][C][C][Ring2][Ring1][N][Branch1][C][C][C][C]
0.49
[O][=N][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][C][=C][C][=C][Ring1][Branch2]
[O][=C][O][C][C][C][O][C][C][C][Branch1][C][C][C][O][C][C][C][O][C][Branch1][C][C][C][C][=C][C][O][C][C][C][O][C][Branch2][=Branch1][O][C][C][Branch1][C][O][C][Ring1][#Branch1][Branch2][Branch1][#C][O][C][Ring1][O][C][C][Ring1][#C][O][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2][Branch2][Ring2][=Branch2][O]...
0.36
[O][=C][Branch1][P][O][C][C][C][C][=C][C][=C][C][#C][C][#C][C][=C][C][O][C][=C][Branch1][C][C][C]
[O][=C][N][C][Branch2][=C][=Branch2][C][=Branch1][C][=O][N][C][Branch2][=N][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][O][Branch2][C][=Branch1][C][=O][N][C][Branch2][#Branch2][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Branch2][#C][C][=Branch1][C][=O][N][C][Branch2][#...
0.57
[O][=C][Branch1][C][O][C][Branch1][C][O][C][Branch2][=N][=Branch2][N][C][=Branch1][C][=O][C][Branch2][N][#Branch1][N][C][=Branch1][C][=O][C][Branch2][O][=Branch1][N][C][=Branch1][C][=O][C][Branch2][#Branch2][#Branch1][N][C][=Branch1][C][=O][C][Branch2][=Branch2][Branch1][N][C][=Branch1][C][=O][C][Branch2][Branch2][Ring...
[O][=C][O][C][C][=C][C][=C][C][=C][C][Branch2][Ring1][C][O][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][Ring2][=C][Ring1][S]
0.61
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][C][C][C]
[O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring2][N][C][C][C+1][N][=C][C][=Branch1][Ring2][=C][Ring1][Branch1][C][Branch1][=Branch2][C][N][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][Branch1][C][C][C][=C][C-1][Branch1][Ring1][C][O][C][Branch1][Ring2][OH1+1][Ring1][#Branch1][C...
0.36
[O][=C][Branch1][C][O][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][C][Branch1][Branch2][O][C][Ring1][#Branch1][=C][Ring1][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
[O][=C][Branch1][=N][O][C][C][=C][S][S][C][Branch1][C][C][C][C][C]
0.54
[O][=C][C][Branch1][C][C][C][Branch2][Branch1][Branch2][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring2][Ring1][Ring2][O][C][C...
[O][=C][Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2]
0.57
[O][=C][O][C][Branch1][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][C]
[O][C][=C][C][=C][C][=C][O][C][Branch1][Ring1][C][O][C][C][C][Ring1][Branch2][=C][O][C][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][#C][O][C][C][C][#C][C][Branch2][Ring1][C][N][C][N][C][C][Branch1][C][O][Branch1][C][C][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][Branch1][N][O][C][N][C][C][C][C][C][C][Ring...
0.49
[O][=C][O][C][C][C][O][C][Ring1][Ring1][C][Branch1][C][O][C][C][Branch1][C][C][C][Ring1][=Branch2][Branch1][C][C][C][C][Ring1][=C][C][Ring1][P][=C]
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][C][Branch1][C][O][C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][#Branch2][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][S]
0.2
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][Branch1][C][O][C][C][C][C][C][C]
[C][#Branch1][#Branch2][#C][C][#C][C][=C][C][=C][C][=C][C][#C][C][#C][C]
0.67
[O][C][C][C][C][C][C][Branch1][C][C][Branch1][Branch1][C][C][Ring1][Branch2][C][C][Branch1][C][O][C][Ring1][=Branch2][Branch1][C][O][C][Branch1][C][C][C]
[O][=C][Branch1][=Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C]
0.53
[O][=C][C][=C][Branch1][C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][#Branch2][C][C][C][C][C][C][C]
[O][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][Branch2][C][O][C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][Ring1][S][Ring1][=Branch2][C][C][Ring1][P][C][C][C][C][=Branch1][Ring1][=C][C][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Bra...
0.38
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring1][#C]
[O][=C][Branch2][=Branch1][=Branch1][O][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][#Branch2][C][C][Ring1][N][Ring1][Branch2][O][C][O][C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][Branch1][C]...
0.51
[O][=C][Branch2][Ring1][Ring2][O][C][C][C][=Branch1][=N][=C][C][C][Ring1][=Branch1][C][Ring1][=Branch1][Branch1][C][C][C][C][C][C]
[O][=C][Branch2][#Branch1][C][O][C][=C][Branch2][Branch1][O][C][=Branch1][C][=O][S][S][C][=Branch1][C][=O][C][=C][Branch2][Ring1][O][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][=N][=C][Branch1][C][O][C][=Branch1][Branch1][=C][Ring1][Branch2][C][C][C][C][=Branch1][=C][=C][Branch1][C][O][C][=Branch1][=Branc...
0.37
[O][=C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
[O][=C][Branch1][Ring1][O][C][C][C][Branch1][C][O][C][Branch1][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][Ring1][=C][Branch1][=C][C][=C][C][=C][O][C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.54
[O][CH0][CH1][CH1][CH0][Ring1][Branch1][CH0][Branch2][Ring2][Branch2][CH0][CH1][CH1][CH0][Branch2][Ring1][=N][CH1][CH0][O][CH0][Branch1][Branch1][CH1][CH1][Ring1][Branch1][CH0][Branch1][=C][CH0][S+1][CH0][Branch1][Branch1][CH1][CH1][Ring1][Branch1][CH1][Ring2][Ring1][=Branch1][C][C][OH1+1][Ring2][Ring1][Ring2][C][C]
[O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][O][C][C][C][Branch1][Ring2][O][Ring1][=Branch1][C]
0.67
[O][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C]
[O][=C][Branch1][S][O][C][C][C][C][C][C][C][C][C][=C][C][C][=C][C][C]
0.57
[O][=C][C][C][C][C][C][Branch1][=Branch2][C][N][C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][C][C][C][C][Branch2][Branch1][#Branch1][C][#C][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][C][C][Ring1][S][=O][C][C][C][Branch1][C][O][C][C][C][=C][C][=Branch1][=C...
[O][=C][Branch2][Ring1][#Branch2][C][=C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][O][C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][C]
0.52
[O][=C][O][C][C][Branch2][=Branch2][P][C][C][#C][C][C][C][C][Branch1][C][O][C][=C][N][C][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][S][S][C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][Branch1][C][C][Branch2][=Branch1][C][C][Ring2][Ring1][N][C][C][C][Ring2][Ring1][P][...
[O][=C][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][#C][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O][C]
0.82
[O][=C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][Branch2][#Branch1][O][C][#C][C][C][C][C][C][Branch1][=C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][O][C][Branch1][Ring2][C][C][C][C][Branch1][C][O][C][C][=C][C][=Branch1][Branch1][=C][NH1][Ring1][Bran...
[O][=C][Branch2][Branch2][#Branch1][O][C][C][C][C][C][C][=C][C][C][Branch2][Branch1][O][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O]...
0.56
[O][=C][C][=C][Branch2][=Branch2][Branch1][O][C][=C][Ring1][=Branch1][C][=C][C][Branch2][#Branch1][Branch2][O][C][Branch2][Ring1][=C][C][C][Branch1][S][C][C][C][Ring1][=Branch1][C][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Branch2][Ring2][=C][O][O][C][C][Branch1][C][O][Br...
[Br][C][=N][C][=C][Branch1][S][N][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][=C][C][=Ring1][Branch1][NH1][Ring1][S]
0.28
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][=C][C][#C][C][#C]
[O][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][O][C]
0.62
[O][=C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][C][#C][C][C][C][C][C][Branch1][=C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][O][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][C][Branch1][C][O][C][C][=C][C][=Branch1][Branch1][=C][NH1][Ri...
[O][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][N][C][Branch1][C][C][C]
0.38
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C]
[O][=C][Branch2][Ring1][Ring2][N][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][Ring1][=N][C][C][C][C][=N][N][=C][C][=C][C][=Branch1][#Branch1][=N][N][Ring1][=Branch2][Ring1][=Branch1][O][C]
0.56
[O][=C][C][=C][C][Branch1][C][C][C][Branch2][Branch1][N][C][C][Branch1][C][O][C][Branch2][Branch1][C][C][=C][C][C][Branch2][Ring1][O][C][C][C][Branch1][Branch2][O][C][Ring1][Branch1][O][C][C][C][Branch1][C][O][C][Branch1][Ring2][O][C][C][Branch1][C][C][C][C][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][...
[O][=C][Branch1][=Branch2][C][C][C][C][C][C][C][C][C][O][C][Ring1][Ring1][C][=Branch1][C][=N][O]
0.83
[O][=C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][=C][C][Branch1][Ring1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][Ring1][=C][C]
[O][C][C][O][C][Branch2][Branch2][=N][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][#Branch1][=N][O][C][Ring1][Branch2][O][C][Branch2][=Branch1][N][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][=C][C][Branch2][Ring2][Ring1][C][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Bra...
0.44
[O][C][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1]
[O][=C][Branch1][C][O][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=C][C][C][C][C][Branch1][C][C][C][Ring1][O][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=C][C][C][C][C][Ring1][Branch2][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1]...
0.58
[O][=C][C][O][C][=C][Branch2][Ring1][Branch2][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][O][C][=Branch1][=Branch1][=C][Branch1][C][C][C][C][Ring1][Branch2][C]
[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][O][C][Branch2][=Branch2][Branch2][O][CH0][CH1][CH0][Branch1][C][O][CH1][CH0][OH1+1][CH0][Branch2][#Branch1][N][CH0][Branch2][=Branch1][S][O][C][O][C][Branch2][Branch1][N][C][O][C][=Branch1][C][=O][C][=C][CH0][CH1][CH1][CH0][Branch2][Ring2][Branch2][O][C][O][C][Bran...
0.72
[O][=C][C][=C][C][Branch2][#Branch1][Branch2][C][Branch1][=N][C][N][=C][Branch1][C][N][N][C][Branch1][C][O][C][C][C][Branch1][Ring1][C][O][C][C][C][Branch2][Branch1][Branch1][C][S][S][C][C][Branch1][Branch2][N][C][=N][C][=C][Ring1][Branch1][C][C][Branch2][Ring1][=C][C][=Branch1][P][=C][C][C][C][C][Branch1][Ring2][C][Ri...
[O][=C][N][C][C][S][C][Branch2][Ring1][=N][C][C][C][C][C][=Branch1][C][=O][N][C][=N][NH1][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][=Branch2][N][Ring2][Ring1][N]
0.39
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C]
[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1+1][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][N][Ring1][=Branch2][O][C][Branch1][C][O][=C][Ring2][Ring1][Rin...
0.29
[O][=C][Branch1][C][O][C][Branch1][C][N][C][C][=C]
[O][C][O][C][C][Branch1][C][O][C][O][C][Branch2][Branch1][=Branch2][O][C][Branch1][Branch2][C][=C][O][C][=C][Ring1][Branch1][C][Branch1][C][C][Branch1][=Branch1][C][C][Ring2][Ring1][Ring1][C][Branch1][Ring2][C][Ring1][=C][C][Ring2][Ring1][=Branch1][Ring1][P][O][C][Ring2][Ring1][Branch1][Branch1][Ring1][O][C][C][=Branch...
0.27
[N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1]
[O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][O][C][Branch1][=Branch1][C][=Branch1][C][=C][C][C][C][Ring1][Branch2][=C][Ring1][N][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
0.4
[O][=C][Branch2][Ring2][=Branch2][N][C][=C][C][=C][C][Branch2][Ring1][N][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C]
[O][=C][Branch1][C][O][C][Branch1][C][N][C][C][S][C][=C][C][=Ring1][Branch1]
0.47
[O][=C][Branch2][#Branch2][Branch1][O][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch2][#Branch1][P][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch2][=Branch1][=C][O][C][Ring2][Ring1][...
[O][=C][Branch2][Ring1][P][N][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
0.7
[O][=C][Branch1][Ring2][O][C][C][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Ring1][N]
[O][=C][Branch1][C][O][C][O][C][Branch2][=Branch1][=N][O][C][C][C][C][Branch1][C][C][C][Branch2][Branch1][=Branch2][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][=Branch2][Branch1][=N][C][O][C][=Branch1][C][=O][C][=Branch1][Ring1][=C][C][C][C]...
0.62
[O][=C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][O][C][=Branch1][=C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C]
[O][=C][Branch1][Ring1][O][C][C][=Branch2][Branch2][Branch2][=C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch2][#Branch1][#Branch2][C][=C][Branch2][=Branch1][=N][C][C][C][Branch2][Branch1][S][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][C][C][Branch1][C][O][Branch2][Ring1][P][C][O][C][=Branch1][C][=O][C][=Branc...
0.52
[O][=C][C][=C][Branch1][=Branch2][O][C][Ring1][Branch1][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][N][=C][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C]
[O][=C][Branch1][C][O-1][CH0][CH1][NH1+1][Branch2][#Branch1][=Branch1][CH1][CH0][Branch2][=Branch1][Ring1][C][=C][C][C][=Branch2][Ring2][S][=C][O][C][Branch2][Ring1][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][Branch1][C][O][C][Ring1][O][O][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch1][C...
0.51
[C][=C][C][C][C][=Branch1][N][=C][C][=C][Branch1][C][C][C][C][C][Ring1][O][C][Branch1][C][C][C]
[O][=C][Branch2][#C][=Branch2][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][=C][=Branch2][O][C][Ring1][Branch2][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][N][S][O][C][C][O][C][Branch2][O][#C][O][C][C][Branch1][C][O][C][Branch1][#Branch2][O][C][Branch1][C][C][C][Ring1][Branch2][O][O][C][C][Branch1][C...
0.77
[O][=C][C][=C][Branch2][Branch2][Ring2][O][C][=C][Branch2][Branch1][N][C][Branch1][=N][O][C][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][=C][C][Branch2][Ring2][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][O][Branch1][=Branch1][C][C][C][C][O][C][C][C][N][Branch1][=Branch1][C][C][C][O][C][C][C][Ring1][O]...
[O][=C][Branch1][C][O][C][O][C][Branch2][=Branch1][=Branch1][O][C][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][C][=Branch1][#Branch2][=C][Ring2][Ring1][=Branch1][N][C][Ring2][Ring1][#Branch2][C][=Ring2][Ring1][#Branch1][C][O][C][=C][Bran...
0.9
[O][=C][O][C][Branch1][#Branch2][C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][C][C][Branch1][C][C][C][Branch2][Ring2][N][C][=C][Branch1][=Branch1][C][C][Ring1][Branch1][O][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][Ring1][=Branch2][Branch1][C][C][C][Ring1][#C][C][C][Ri...
[O][=C][Branch2][#Branch1][N][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][O][C][Branch1][C][C][C][Branch2][Branch1][=Branch2][O][C][O][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch2][Ring1][Ring2][O][C][...
0.45
[O][=C][N][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][=Branch2][C][Ring2][Ring1][Branch1]
[O][=C][Branch1][C][O][C][O][C][Branch2][#Branch1][Branch1][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][O][C][Ring1][#Branch1][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][O][O][C...
0.29
[O][=C][C][=C][C][Branch2][Ring1][S][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][C][C][C][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Ring2][Ring1][#Branch2][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][S][C][C][Ring1][=Branch1][C][C][Branch1][C][C][C]
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C]
0.78
[O][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][C][Branch2][Ring1][#Branch2][C][=Branch2][Ring1][Branch1][=C][C][Ring1][=C][C][=C][C][C][C][Branch1][C][O][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch2][C][C]
[O][=C][C][=C][C][Branch1][C][C][C][C][C][C][C][C][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][F][C][Ring1][#Branch2][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][S][C][Ring2][Ring1][Branch1][Branch1][C][C][C][C][Ring2][Ring1][#Branch2]