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
0.67
[O][=C][C][=Branch1][S][=C][Branch1][C][O][NH1][C][=Branch1][C][=S][N][Ring1][Branch2][C][C][=C][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][=N][=Ring1][=Branch2]
[O][=C][Branch2][Ring1][#Branch1][C][=C][C][C][C][C][Branch1][Branch1][C][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][Branch1][Ring2][O][C][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][R...
0.58
[O][=C][Branch1][P][C][=C][C][Branch1][C][O][C][C][N][C][Ring1][Branch2][C][C][Ring1][Branch1][C][C]
[O][=C][Branch2][Ring2][=Branch2][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][=Branch1][Branch1][C][O][C][C][C][C][Ring1][Ring1]
0.7
[O][=C][Branch2][Ring2][Ring2][O][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][Ring1][Branch2][C][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][S][Ring1][=Branch1][O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C]
[O][=C][Branch2][=Branch2][=Branch2][O][C][C][O][C][Branch2][Branch2][Ring2][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][#Branch1][Ring2][O][C][Ring1][Branch2][O][CH0][CH1][CH0][CH0][Branch2][Ring2][O][O][C][O][C][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][CH0][CH1][CH1][CH0][Branch1][C][O][CH...
0.54
[O][C][=C][C][=C][Branch2][Ring2][N][C][=C][Ring1][=Branch1][O][C][C][C][Branch2][Ring1][=Branch2][C][=C][C][N][C][=Branch1][P][=C][Ring1][=Branch1][C][S][S][C][C][Branch1][Ring1][C][O][C][Ring1][P][O][N][C][C][=C][C][=C][NH1][Ring1][Branch1][C][C][=Branch2][Ring2][#Branch1][=C][C][C][#C][C][Branch1][Ring2][C][C][O][C]...
[O][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][=N][C][C][=Branch1][C][=O][O][C]
0.5
[O][=C][O][C][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][C][C][Branch2][Branch2][P][C][=C][C][=C][C][C][C][Ring1][=Branch1][C][Branch2][#Branch1][=N][C][C][C][Ring1][=Branch1][C][C][C][C][Branch1][C][C][Branch1][=N][C][C][=C][N][C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][C][=Branch1][C][...
[O][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C][C][C]
0.86
[O][C][C][O][C][Branch2][O][O][O][C][C][Branch1][C][C][C][C][C][Branch1][Ring1][O][C][O][C][C][C][C][C][C][C][C][C][Branch2][Branch2][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][=Branch1][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][P][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1...
[O][=C][Branch2][=Branch1][Ring1][O][C][C][C][O][C][Branch1][=Branch2][C][C][Branch1][C][O][C][Ring1][#Branch1][C][C][Branch2][Ring2][=N][C][=C][C][=C][C][C][O][C][Branch1][=Branch1][C][C][Ring1][Branch1][C][C][Branch1][C][O][C][C][O][C][=Branch1][C][=O][C][Ring2][Ring1][=C][Branch1][C][O][C][Ring1][#Branch1][O][C][=Br...
0.7
[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][C][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][Branch1][C][O][C][Branch1][C][O][C][C][Branch1][#C][...
[O][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][S][C]
0.51
[N][#C][C][=C][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C]
[O][=C][Branch2][Ring2][=N][N][C][C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][C][C][=N][N][=C][Branch1][Ring2][O][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch1][C][Branch1][C][C][C][N][C][Branch1][C][C][C]
0.69
[O][=C][Branch2][N][N][C][C][Branch1][C][O][Branch1][C][C][C][C][C][C][C][C][=Branch1][=Branch2][=C][C][C][Ring1][=Branch2][Ring1][=Branch1][C][C][Branch1][C][C][C][C][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Ring1][N][C][Branch2][=Branch2][=Branch1][O][C][O][C][Branch1][C][C][C][Branch1][...
[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][=C][Branch1][Branch2][C][=C][Ring2][Ring1][=C][Ring1][#Branch1][C][C][C][C][C][C][Rin...
0.39
[O][=C][Branch2][Ring2][=Branch1][O][C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][N][C][C][C][C][C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C]
[O][=C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=C][Ring1][=Branch2][C][=C][Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
0.57
[O][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][C][C][C][C][Ring1][Branch1][C][O]
[O][=C][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C]
0.59
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][N][=N][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
[O][=C][Branch1][#Branch2][N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][=Branch1]
0.47
[O][C][C][=Branch2][=Branch1][P][=C][C][C][C][C][C][=Branch1][C][=C][C][Branch2][Branch1][N][C][=C][C][=Branch2][Branch1][Branch1][=C][C][=C][C][=Branch2][Ring2][=N][=C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][C][=Branch1][C][=C][C][C][C][Branch1][=Branch2][C][C][=C][Branch1][C][...
[O][=C][C][C][C][C][Branch1][S][O][C][Ring1][Branch1][Branch1][C][O][C][O][C][Ring1][O][Ring1][Ring1][C][C][Branch1][C][O][Branch1][C][C][C]
0.55
[O][=C][C][=C][Branch2][=Branch1][#Branch1][N][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][O][C][=C][Branch1][C][Cl][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][C][Ring1][=C][=O][C][Branch1][C][C][C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][C][O][C...
[O][=C][O][C][=C][Branch1][P][C][=C][C][=Branch1][C][=O][C][=C][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][=Branch1][Ring2][=C][Ring1][S][C][C][C]
0.55
[O][=C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][N][O][C][=Branch1][C][=O][C][Branch1][C][C][C][O][=C][Ring1][#C]
[O][=C][C][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][C][C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][O][Ring1][#Branch1][N][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branc...
0.63
[O][=C][Branch1][#C][N][C][C][C][C][N][C][C][C][C][Ring1][Branch2][Ring1][Branch1][C][=Branch2][Branch1][O][=C][C][=C][C][=Branch2][Branch1][Ring1][=C][C][=C][C][Branch1][C][C][C][C][C][=Branch2][Ring2][Branch1][=C][C][Ring1][#Branch1][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N...
[O][C][=Branch1][=Branch2][=N][C][C][Branch1][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]
0.38
[O][=C][N][Branch1][C][C][C][Branch2][#Branch1][#Branch1][C][=Branch2][#Branch1][C][=N][C][Branch2][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][S][=N][C][Branch1][O][C][=Branch1][#Branch1][=N][C][Ring2][Ring1][#Branch1][C][O][C][O][C...
[O][=C][Branch1][C][O][C][C][C][C][=C][C][C][=C][C][C][Branch1][C][O][C][Branch1][C][O][C][=C][C][Branch1][C][O][C][C][C][C][C]
0.44
[N][#C][C][=C][Branch2][Ring1][O][C][Branch2][Ring1][=Branch1][C][C][Branch1][Ring2][O][Ring1][=Branch1][Branch1][#Branch1][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][C][C]
[O][=C][Branch1][#Branch1][N][C][C][C][C][N][C]
0.31
[O][C][=C][C][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][=Branch2][C]
[C][=Branch2][Ring1][Branch1][=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]
0.55
[O][=C][Branch2][Ring2][Branch2][N][C][C][C][C][Branch1][C][C][C][C][C][Branch1][N][C][Branch1][C][O][C][Ring1][Branch2][C][Ring1][N][C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][C][=N][C][=C][N][=C][Ring1][=Branch1]
[O][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C]
0.15
[O][=C][Branch1][C][O][C][O][C][Branch2][Branch1][=C][O][C][C][C][C][Branch1][C][C][C][Branch2][Ring2][#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][Branch1][C][O][C][=Branch1][C][=O][C][C][Ring2][Ring1][Ring1][Ring1][=C][C][C][Ring2][Ring...
[N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C]
0.19
[N][=C][O][N][=C][C][=C][C][=Branch1][C][=C][N][Ring1][=Branch2][Ring1][=Branch1]
[O][=C][Branch1][C][O][C][Branch1][C][C][C][C][C][Branch2][=Branch1][Ring1][C][=Branch1][C][=O][O][C][O][C][Branch2][Ring2][O][C][O][C][O][C][Branch1][Ring1][C][O][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][...
0.44
[O][=C][C][C][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][=N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Branch2][C][=C][C][Ring1][#Branch1][C][O][C][C][=C][NH1][C][=Ring1][Branch1][N][C][C][=C][C][NH1][C][=C][C][=Ring1][Bra...
[N][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][C][=C][C][C][C][C][C][C][C][C][N][Branch1][Ring1][O][C][C]
0.64
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][C]
[O][=C][Branch1][=Branch1][C][Branch1][C][Br][Br][C][Branch1][C][Br][Branch1][C][Br][C][C][C][C][C][C]
0.46
[O][N][=C][C][C][C][C][C][C][C][C][Ring1][=Branch2][Ring1][=Branch1]
[O][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][Ring1][O][Ring1][#Branch1][C]
0.54
[O][=C][Branch1][C][O][C][C][C][C][=Branch1][C][=C][C][Branch2][#Branch2][S][C][C][C][N][C][=C][C][=C][Branch2][=Branch2][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][C][Ring1][#Branch2][=C][C][C][=Branch2][#Branch1][O][=C][C][C][Branch1][C][C][C][Branch1]...
[O][=C][Branch1][=Branch1][O][C][C][C][C][C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1+1][Branch1][C][O-1][O]
0.6
[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][=Branch1][C][=C][C][C][Ring1][#Branch1][C][=C][C][C][C][Branch1][C][C][C][C][C][Branch2][Branch1][Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring1][Ring2][O][C][O][C][Bra...
[O][=C][Branch1][Branch2][N][C][C][Branch1][C][C][C][C][Branch1][C][O][C][C][C][Branch1][C][O][C][=C][C][=C][C]
0.42
[O][Branch1][Ring1][C][C][C][Branch1][C][C][C][C][C][Branch1][#Branch1][C][C][Ring1][#Branch1][Ring1][Ring1][C][Branch1][C][C][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][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][CH0][CH1][CH1][CH0][Branch1][C][O][CH1][CH1][Ring1][#Branch...
0.55
[O][=C][C][=C][Branch2][#Branch1][#C][O][C][=C][C][O][C][Branch1][C][C][C][C][S][S][C][C][=C][Branch2][=Branch1][O][N][=C][Branch2][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][N][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][O][C][Ring1][Ring1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][...
[O][=C][Branch1][C][O][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][=N][C]
0.72
[O][=C][Branch1][Ring1][O][C][C][C][Branch2][Ring1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Branch1][Branch1][C][Ring1][N][=O][C]
[O][=C][Branch2][Branch2][S][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][C][Branch2][Branch1][N][C][=C][Branch1][=N][C][C][C][Ring1][=Branch1][C][Ring1][O][Bran...
0.39
[O][=C][O][C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][Branch1][O][C]
[O][=C][C][=Branch2][Ring1][Ring2][=C][C][C][C][=Branch1][=N][=C][C][C][C][Branch1][C][O][Branch1][Ring1][C][=C][C][C][C]
0.65
[O][=C][Branch2][Ring1][#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][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C]
[O][=C][Branch1][Branch1][N][C][C][O][C][C][C][C][C][C][C][=C][C][C][=C][C][C][=C][C][C][C][C][C]
0.72
[O][=C][C][=C][Branch2][Ring1][N][C][=Branch2][Ring1][Branch1][=C][Branch1][S][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][Ring1][#Branch2][Branch1][C][O][C][C][O][C][C][O][C]
[O][=C][Branch2][N][#Branch1][O][C][C][C][C][Branch1][C][O][Branch2][=Branch2][=Branch1][C][C][=C][C][C][Branch2][Branch2][Ring2][O][C][O][C][Branch1][C][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][O][C][Branch1][C][C][C][Br...
0.93
[O][=C][C][=C][Branch2][#Branch1][Ring1][O][C][Ring1][Branch1][Branch1][C][C][C][C][Branch1][C][O][C][C][Branch1][C][C][C][C][C][=C][C][Branch2][Ring2][=Branch1][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][Branch1][C][O][C][Ring2][Ring1]...
[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][Ring2][=C][O][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][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][...
0.4
[O][=C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][#C][C][C][=C][C][=Branch2][Ring1][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][Ring1][N][C][C][C][O][C][C][C][Branch1][C][O][C][Ring2][Ring2][Ring1]
[C][=C][C][NH1+1][C][=C][Ring1][=Branch1][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][Ring1][P]
0.51
[O][C][=C][C][Branch1][C][O][=C][C][Branch2][N][#Branch2][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch1][C][O][C][Ring1][#C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Br...
[O][=C][Branch2][Branch1][C][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][Branch1][P][C][=Branch1][C][=O][C][N][Ring1][Branch2][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][Ring1][C]
0.6
[O][=C][Branch1][C][O][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][N][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
[O][=C][C][C][=Branch1][C][=O][C][C][C][Branch1][Branch1][C][C][C][C][C][C][Branch1][P][C][CH0][CH1][CH1][NH2+1][CH0][Branch1][Ring2][CH1][Ring1][=Branch1][N][C][C][C][O][C][C][Ring2][Ring1][#Branch1][C][#C][C][Branch1][=Branch2][CH0][CH1][CH1][CH1][CH1][CH1][Ring1][=Branch1][CH0][CH1][CH0][Branch1][C][O][CH0][Branch1]...
0.26
[Br][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C]
[O][=C][N][Branch1][C][C][C][Branch1][Ring1][S][C][Branch2][=Branch1][P][C][=Branch1][C][=O][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch1][=N][C][Branch1][C][O][C][Ring2][Ring1][Branch1][Ring1][=N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=Branch2][N][C][=Branch1][C][=O]...
0.59
[O][=C][Branch2][S][Ring1][N][C][C][Branch2][Branch1][Ring2][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][O][C][C][Branch1]...
[O][=C][C][=C][Branch1][C][O][C][=Branch2][Ring1][S][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2][O][C][C][=C][Branch1][C][C][C][C][C][C][Branch1][C][O][Branch1][C][C][C]
0.53
[O][=C][C][C][=Branch1][C][=O][C][C][C][Branch2][Branch1][=Branch1][C][C][Branch1][=N][C][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][C][Ring1][#C][C][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][C][Ring2][Ring2...
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][C][=Branch1][C][=O][N][Branch1][=N][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.35
[O][=C][C][=C][Branch2][#Branch1][Ring1][O][C][Ring1][Branch1][Branch1][C][C][C][C][Branch1][C][O][C][C][Branch1][C][C][C][C][C][=C][C][Branch2][Ring2][=Branch1][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][=Branch1][C][=O][C][Ring2][Ring...
[O][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#Branch2]
0.51
[O][=C][C][=C][Branch1][C][O][C][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][O][C][Ring1][Branch1][Branch1][C][C][C][C][=Ring1][O][C][=C][Ring1][S][C][C][O][C][O][C][=Branch2][Branch1][N][=C][Ring2][Ring1][O][O][C][=C][Ring2][Ring1][#C][C][Branch1][C][O][C][C][Branch2][Ring2][Ring2][O][C][O][C][Branch1][C][C]...
[O][C][C][Branch1][C][C][C][C][C][=C][C][Ring1][#Branch1][C][C][C][C][C][Branch1][Ring1][C][=C][Branch1][C][C][C][C][C][Ring1][=N][Ring1][=Branch2][C]
0.61
[O][=C][C][=C][C][C][C][C][Branch1][C][C][C][C][Branch1][P][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][N][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][Branch1][C][O][Branch1][C][C][C][N][C][Branch2][#Branch1][Ring2][C][C][Ring2][Ring1][#C][Branch2][Branch1][N][C][Branch1][Ring1]...
[O][=C][O][C][C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=C][C][C][C][Ring1][=N][C][Ring1][S][C]
0.49
[O][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=C][C][C][C][Ring2][Ring1][Ring2][O][C]
[O][=C][Branch2][Branch2][=Branch1][O][C][C][O][C][Branch2][Ring2][Branch1][O][C][C][Branch2][Ring1][=N][O][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring1][=C][O][C][=Branch1][C][=O][C][C][O][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch2][Ring2][Rin...
0.57
[O][=C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][C][C][C][N][C][C][Ring1][=Branch1][C][C][=N][O][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
[O][=C][Branch2][Branch1][Ring1][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][O][C][Branch1][C][C][C][Branch1][P][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][...
0.48
[O][=C][O][C][=Branch1][=C][=C][C][S][C][=Branch1][Branch1][=C][C][=Ring1][Branch1][C][C][C][C][=C][Ring1][=C]
[O][=C][C][=C][C][C][C][C][Branch2][Ring2][=Branch1][C][C][C][Branch1][C][C][C][Branch1][Branch2][C][C][C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C][C][Ring2][Ring1][=C]
0.5
[O][=C][Branch1][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][O]
[O][=C][C][=Branch2][Branch2][S][=C][C][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][C][C][=C][Branch1][#Branch2][N][C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][C][O][C][C][Ring2][Ring1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][Ring2][Ring1][N][Ring1][Branch2][Branch1][Ring2][C][N][C][C][C][Branch1...
0.52
[O][=C][Branch1][Ring1][O][C][O][C][C][=C][C][=Branch2][Ring2][O][=C][Branch1][C][C][C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][O][C][O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Ring2][Ring1][Ring1][Ring1][=N][C][Ring1][N][Ring1][Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][Ring2][R...
[O][=C][Branch1][C][O][C][=Branch1][=Branch2][=C][C][O][C][=Branch1][C][=O][C][C]
0.27
[Br][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][=C][C][=Branch1][#Branch2][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C]
[O][C][C][O][C][Branch2][=Branch1][P][O][C][C][C][=C][C][Branch2][Ring1][=Branch1][O][C][O][C][Branch1][Branch2][C][Branch1][C][O][C][O][C][C][Branch1][C][O][C][Ring1][O][O][C][Branch1][C][O][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring2][Ring1][#Branch2][C][C][C][Ring2][Ring1][=C][Branch1][...
0.52
[O][Branch1][C][C][C][C][O][C][Branch2][Branch2][=C][O][C][C][Branch2][Ring1][Branch1][O][C][C][Branch1][Ring1][O][C][Branch1][Ring2][C][O][C][C][Branch1][Ring1][O][C][C][O][C][O][C][Branch1][C][C][C][Branch2][=Branch1][Branch1][O][C][O][C][Branch1][C][C][C][Branch2][Ring2][#C][O][C][O][C][Branch1][Ring2][C][O][C][C][B...
[O][=C][Branch2][Ring1][Branch1][N][C][C][O][C][Ring1][Branch1][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C]
0.64
[O][=C][O][C][C][C][=C][Branch2][=Branch1][=Branch1][O][C][Ring1][=Branch1][Branch1][C][C][C][C][S][S][C][C][=C][Branch1][C][N][N][C][Branch2][Ring2][Ring1][C][=C][Ring1][#Branch1][C][C][=C][Branch1][=Branch2][C][=C][Branch1][C][N][N][Ring1][#Branch1][C][C][C][O][C][Ring2][Ring1][P][Ring1][Ring1][C][C][C][C][Ring2][Rin...
[O][=C][O][C][=C][C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][Ring1][S][C][=Branch1][P][=C][Ring2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C]
0.83
[O][=C][Branch1][C][O][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][#Branch1][Ring1][S][C]
[O][=C][Branch2][=Branch2][=Branch1][O][C][C][C][C][Branch1][=Branch1][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][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branc...
0.56
[O][=C][N][Branch2][Ring2][#C][C][=Branch1][C][=O][C][Branch1][C][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][Ring2][Ring1][O][Ring2][Ring1][#Branch1][O][C]
[O][=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][Branch2][Branch1][Branch1][O][C][O][C][C][Branch1][C][O][C][Branch2][Ring2][Ring2][O][C][O][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][Ring1][Branch2][O][C][O][C][Branch1][Ring1][C][O]...
0.38
[O][=C][C][=C][Branch2][Ring2][#C][O][C][=C][Branch1][Ring1][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][Branch1][C][O][C][Branch1][C][O][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][C]...
[O][=C][Branch1][C][O][C][Branch1][C][N][C][Branch1][C][C][C][C][=Branch1][C][=C][C][Ring1][Ring2]
0.5
[C][=C][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][NH1][C][=C][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][Branch1][#Branch1][C][=C][Branch1][C][C][C][C][Ring1][S][C][C][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N]
[O][=C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][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][#Branch2][N][C][=Branch1][C][=O][C][N][=C][Branch2][Branch1][#Branch2][C][=C][C][Branch...
0.74
[O][=C][C][=C][Branch1][C][O][C][=C][O][C][Branch2][Ring2][P][C][C][Ring1][Branch1][=C][Ring1][#Branch2][O][C][C][Ring1][=C][=C][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][Ring1][=Branch2][Branch1][#C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=C][C][Ring1][N][C][C][=C][Branch1][C][C][C][C][Branch1][C][O][Bran...
[O][=C][O][C][C][C][=C][C][=C][Branch2][#Branch2][=Branch2][O][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][#C][C][Branch2][Branch1][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][Branch2][Ring1][S][C][#C][C][C][C][C][Branch2][Ring1][Ring1][O][C][C][Branch1][C][O][C][Branch1][C][O][Bra...
0.41
[C][=N+1][C][C][C][N][Ring1][=Branch1][C][C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=C][C]
[O][=C][Branch2][Branch1][=C][O][C][O][C][Branch2][Ring2][#Branch2][C][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][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][#C][O...
0.46
[Br][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#Branch1][C][=C][Ring1][Branch2][O][C][C][C][N]
[O][=C][Branch2][Branch1][O][O][C][C][C][C][C][C][Ring1][Ring1][C][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch2][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Ring1][O][C][C][C][Ring1][S][C][Ring2][Ring1][Ring2][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][C][C][C]
0.46
[C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
[O][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][Ring1][Branch2][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][Branch1][C][O][C][C]
0.46
[O][=C][Branch2][Ring1][=Branch1][C][S][C][=Branch1][Branch1][=C][C][=Ring1][Branch1][C][S][C][Branch1][Ring2][C][#C][C][=C][C][=Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch2][Branch1][Branch1][C][C][#C][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][P][N][...
[O][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
0.17
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][C][Ring1][Branch2][O]
[N][#C][C][=C][Branch1][C][N][N][N][=C][Branch2][Ring1][Branch1][N][=C][Ring1][Branch1][N][C][Ring1][#Branch2][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][F][Branch1][C][F][F]
1
[O][=C][Branch1][C][O][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]
0.65
[O][=C][Branch2][#Branch1][#Branch1][O][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][Branch2][=Branch1][Ring2][C][=C][Branch2][Ring2][=C][C][Branch2][Ring2][=Branch2][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Branch2][Ring1][=Branch2][C][Branch1][Branch1][C][C][Ring1][=Branch2][O][C][=Branch1][C][=O]...
[O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring2][O][C][C][C][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][O]
0.58
[O][=C][Branch1][C][O][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring1][S][C][Branch1][C][O][=C][Ring2][Ring1][=Branch1][C]
[O][=C][C][=C][C][Branch1][=Branch1][C][C][C][C][C][C][Branch2][#Branch1][Branch1][C][=C][C][Branch2][Ring1][#C][O][C][Branch1][Ring2][C][N][C][C][C][C][Branch1][#C][C][C][Branch1][C][O][O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][C][=C][Branch1][C][O][C][=Branch1][Branch1][=C][Ring2][Ring1][#Branch2][N][C][...
0.72
[O][=C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=C][O][C][Branch2][=Branch2][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][Branch2][=Branch1][O][O][C][O][C][C][Branch2][Ring2][#Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][C][C][C][Branch1][C]...
[O][=C][C][=C][Branch2][Branch2][#Branch2][O][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][O][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][O][C][C][Branch1][Ring1][C][O][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][O][C][Branch1][Branch2][C][C][C][...
0.45
[O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][O]
[O][=C][O][C][Branch1][C][C][C][Branch2][=Branch1][P][N][C][=Branch1][C][=O][C][=Branch2][=Branch1][#Branch1][=C][C][Branch1][C][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][O][C][Branch2][Ring1][Branch1][C][N][=C][Branch1][Bra...
0.6
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][O][C][Ring1][Ring1][C][C][C][C][C]
[O][C][C][O][C][Branch2][=Branch1][C][O][C][C][C][C][Branch1][C][C][C][Branch2][Ring2][=C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][C][C][Branch1][C][O][Branch1][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][C][C][C][O][C][Ring1][N][O][C][C][Ring2][Ring1][Branch1][Ring1][S][C][Ring1][Branch1][C][Ring2][Ring...
0.29
[O][=C][Branch1][C][O][C][Branch3][Ring1][C][Ring1][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][O][C][Branch2][#C][=N][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][O][C][Branch2][=N][#Branch1][O][C][C][Branch1][C][O][C][Branch2][#Branch1][P][O][C][Branch1][Ring1][C][O][C][Ring1][=Branch2][O][C][O][C][Branch1][...
[N][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.36
[C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][Branch2]
[O][=C][C][C][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][C][Branch2][=Branch1][Ring2][C][#C][C][Branch1][=N][N][C][NH1][C][=C][C][=Ring1]...
0.72
[O][=C][Branch1][C][O][C][=C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][O][C][O]
[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][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][C][C][Branch1][C][C][C][C][C][Branch2][Branch1][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch2][Ring...
0.42
[O][=C][Branch1][Ring1][C][O][C][C][C][=Branch1][C][=O][C][C][C][C][C]
[O][=C][Branch1][C][O][C][#C][C][C][Branch1][C][N][C][=Branch1][C][=O][O]
0.47
[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][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C]...
[O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C]
0.42
[O][=C][Branch1][Ring1][O][C][C][=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][Branch1][Ring1][C][=C][C][Ring2][Ring1][Ring2][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][Branch1][C][C][C][C]...
[O][=C][Branch2][Ring1][Branch1][N][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.33
[O][=C][Branch1][N][C][=C][C][C][C][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
[O][=C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=Branch2][Ring2][S][=C][O][C][Ring1][#Branch1][=C][Ring1][N][C][Branch2][Ring1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][O][C][C][C][=C][C][=C][O][C][C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][C][Ring2][Ring2][Ring2][C]...
0.19
[O][=C][Branch1][Ring1][O][C][C][=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][=Branch1][Ring1][=C][C][C][Ring2][Ring1][Ring2][C][C][=Branch1][C][=O][O][C][C][O][C][Branch2][Ring2][=C][O][C][C][O][C][Branch1][S][C][=C][C][=C][Branch1][...
[S][Branch1][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.41
[O][=C][C][=C][Branch2][Ring2][S][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][C][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][O][C]
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][C][C][C]
0.6
[O][=C][Branch1][C][O][C][C][C][C][=Branch1][C][=C][C][Branch2][=Branch2][#C][C][C][C][N][C][=C][C][=C][Branch2][Branch2][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][C][Ring1][#Branch2][=C][C][C][=Branch2][Branch1][S][=C][C][C][Branch1][C][C][C][Branch1]...
[O][=C][Branch1][Branch1][O][C][C][=C][N][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
0.73
[O][=C][Branch1][C][O][C][C][C][C][=Branch1][C][=C][C][C][Ring1][#Branch1][C][=C][C][C][C][Branch1][C][C][C][C][C][Branch2][#Branch1][N][O][C][O][C][C][Branch1][C][O][C][Branch2][=Branch1][O][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring2][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][P][O][C][O][C][C][Branch1][C]...
[O][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][#C][Ring1][Branch2][C][C][Branch1][C][O][Branch1][C][C][C][Branch1][C][O][C][Ring1][N][O]
0.42
[O][=C][Branch2][Branch2][#C][O][C][C][C][Branch1][C][C][C][C][=C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch2][Ring2][=C][C][=Branch1][C][=O][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][N][C][=Branch1][C][=O][C][C][Ring1][=Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
0.48
[O][=C][Branch2][Ring1][=N][O][C][C][C][=C][Branch1][C][C][C][C][C][Branch1][=Branch2][C][C][C][Ring1][O][Ring1][=Branch1][C][C][Ring1][#Branch1][Branch1][C][C][C][C]
[O][C][Branch1][C][C][C][Branch1][C][O][C][C][C][C][C]
0.31
[O][C][Branch1][=N][C][#C][C][#C][C][C][=C][C][C][C][C][=C][C][C]
[O][=C][Branch1][Ring1][O][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][N][C][C][Branch2][Ring2][N][C][C][C][C][C][C][O][C][Ring1][Branch1][C][C][N][C][C][C][Ring1][#C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][C][Ring2][Ring1][#Branch1][Ring1][O][C][Ring2][Ring1][=Br...
0.47
[O][C][=C][C][=Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][C][=C]
[O][=C][N][C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][Branch1][O][C][C][C][C][Branch1][Ring2][O][C][C][=C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][=Branch2][C][Ring2][Ring1][#Branch2][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][Ring2][Ring1][#C][C][C][C][N]...
0.57
[O][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][Ring1][O]
[O][=C][O][C][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][O][Ring1][Branch2]
0.56
[O][=C][O][C][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][Branch2][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][C...
[O][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][C][=C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring1][S][O][C][=Ring2][Ring1][Ring1][C]
0.68
[O][=C][Branch1][C][O][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][C][Branch2][Ring2][=Branch1][C][=C][Branch1][=Branch2][C][C][C][Ring1][=Branch2][Ring1][=Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][Ring2][R...
[O][=C][O][C][=Branch1][Branch1][=C][C][=C][C][C][=C][Ring1][=Branch2][C][C][Branch1][C][O][C]
0.39
[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][O][C][Branch2][=Branch2][=Branch1][O][C][=C][C][Branch1][C][O][=C][C][OH1+1][C][Branch2][#Branch1][#Branch1][C][=Branch1][#Branch1][=C][C][Ring1][O][=Ring1][=Branch1][O][C][O][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C...
[O][=C][Branch1][C][O][C][=C][C][C][C][=Branch1][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C][Ring1][=C]
0.74
[O][=C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][Ring1][O][Ring1][=Branch1][C][N][Branch1][Ring2][C][Ring1][#Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][#C][C][=C][C][Branch2][Branch2][#C][N][C][=C][Ring1][=Branch1][C][O][C][Branch1][=Branch1][C][C][C][Ring1][#C][C][C][Branch1][C][O][C][C][C][=C][Branch2][#Branch1][C][C][=C][Branch1][C]...
0.52
[O][=C][Branch1][C][N][C][N][=N][N][Branch1][=Branch2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][Ring2][Ring1][#...
[C][=C][C][C][C][C][C][N][C][Branch1][#Branch2][C][C][C][C][C][C][C][C][C][C][C][Ring1][=C]
0.64
[O][=C][Branch1][C][O][C][C][C][Branch1][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1]
[O][=C][Branch2][Branch1][=Branch1][O][C][Branch2][Ring1][=N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1][O][C]
0.49
[O][=C][Branch2][Ring1][Branch1][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
[O][=C][Branch1][C][O][C][O][C][Branch2][Branch2][=Branch2][O][C][C][C][C][Branch1][C][C][C][Branch2][#Branch1][Ring2][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][Branch2][Ring2][=Branch1][O][C][O][C][C][Branch1][C][O][C][Branch2][Ring1][Branch1][O][C...
0.69
[O][=C][C][=C][C][=C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][=C][Ring1][=N]
[O][=C][O][C][C][O][C][Branch2][Branch1][Ring1][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][C][O][C][Branch1][#C][O][C][=C][C][=C][Ring2][Ring1][O][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][P][O][C][Branch1][C][O][C][Branch1][C][O][C][Rin...
0.4
[O][=C][Branch1][S][C][=C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C]
[O][C][C][C][C][Branch1][C][C][C][Branch2][Ring1][O][C][C][C][C][Ring1][#Branch1][C][C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][N][C][C][Ring1][N][Ring1][Branch2][C][Ring2][Ring1][Branch1]
0.72
[O][C][C][O][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=N][O]
[O][=C][O][C][C][O][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][O][C][Branch1][C][O][C][Branch2][=Branch1][=N][C][=Branch2][Ring1][C][=C][C][=Branch1][C][=O...
0.61
[O][=C][C][=Branch2][Branch1][=N][=C][C][C][C][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][P][C][Branch1][C][O][C][C][Ring2][Ring1][=Branch1][Branch1][C][C][C][Ring2][Ring1][O][Branch1][C][C][C][Ring2][Ring1][#C]...
[O][=C][Branch1][P][O][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
0.43
[N][=Branch1][C][=C][C][=C][N][=C][C][Ring1][Branch1][=C][NH1][O][Ring1][Branch1]
[O][=C][Branch2][#Branch1][Ring1][O][C][C][Branch1][C][C][C][Branch1][Ring1][O][C][C][=C][O][C][Branch2][Branch1][S][O][C][C][Branch1][Branch1][C][Ring1][Branch1][=O][C][C][=Branch1][C][=O][C][=C][Branch1][=N][O][C][Ring1][#Branch1][C][Branch1][C][O][C][Ring1][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C...
0.67
[O][=C][Branch1][C][O][C][O][C][Branch2][#Branch1][=Branch2][O][C][C][Branch1][C][O][C][Branch1][=C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch2][O][O][C][C][Branch1][C][O][C][C][Branch1][C][C][C][C][C][=C][C][C][C][=Branch1][C][=C][C][C][C][Ring1][#Branch1][Branch1][=Branch1][C][=Branch1][C][=O]...
[O][=C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][Branch1][Ring1][C][=C][Branch1][C][C][C]
0.52
[O][=C][Branch1][C][O][C][C][C][=C][Branch2][=Branch1][Ring1][C][=N][C][Ring1][Branch1][=C][C][NH1][C][Branch2][Ring2][Branch2][C][=C][N][=C][Branch2][Ring1][Ring1][C][=C][NH1][C][=Branch1][Ring2][=C][Ring1][S][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][O][=C][Ring1][#C][C][C][C][=Branch1][C][=O]...
[O][=C][Branch2][Ring2][C][N][C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][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][C][C][C][C][=C][C][C][C][C][C][C][C][C]
0.46
[N][=C][C][=C][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][N][Ring1][Branch2][C][Branch1][Ring1][O][C][C][N][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Branch1][Ring1][C][=C][C][Ring1][=Branch2]
[O][=C][Branch2][#C][O][O][C][=C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][=C][Branch2][=N][=C][O][C][=C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch2][O][P][O][C][=C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][O][C][=Bran...
0.53
[O][=C][Branch2][Ring1][O][O][C][=C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
[O][=C][C][=C][Branch1][Ring1][C][O][C][Branch1][C][O][Branch1][Ring1][C][O][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C][Ring1][=Branch2]
0.3
[C][=C][Branch1][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][F]