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
0.34
[O][=C][NH1][C][=C][N][C][=N][C][=C][Ring1][=Branch2][Ring1][Branch1]
[O][=C][Branch2][Ring2][=Branch2][O][C][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][Branch1][C][O][=C][Ring2][Ring1][Ring2][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Branch1][#C][O][C][=C][Branch1][C]...
0.44
[O][=C][C][=C][C][=Branch1][=Branch1][=C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][Ring1][N][C][Ring1][#C][C]
[O][=C][Branch1][C][O][C][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch2][=Branch1][Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][=C][O][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][Branch1][C][O][C][Ring1][=C][C][=Branch1][C][=O][C][Branch1][C][N][C][B...
0.63
[O][=C][Branch1][C][O][C][O][C][Branch2][Ring2][Ring2][O][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][=N][O]
[O][=C][O][C][C][O][C][Branch2][#Branch2][#Branch2][O][C][=C][Branch2][=Branch2][=N][C][C][C][C][Ring1][=N][C][C][=C][C][C][Branch2][Branch2][Branch1][O][C][O][C][Branch1][C][C][C][Branch2][=Branch1][P][O][C][O][C][Branch1][C][C][C][Branch2][Branch1][=C][O][C][O][C][Branch1][C][C][C][Branch2][Ring2][#Branch2][O][C][O][...
0.3
[O][=C][Branch2][=Branch1][S][O][C][C][C][=C][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring2][Ring1][N][Bra...
[O][C][=N][NH1][C][C][Branch1][=Branch1][C][=C][C][=Ring1][Branch1][=N][Ring1][=Branch2]
0.7
[O][=C][Branch1][C][O][C][=Branch2][=Branch1][Ring2][=C][C][C][C][Branch1][C][C][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch2][Ring2][=N][C][=C][Branch1][=Branch2][C][C][C][Ring1][=N][Ring1][=Branch1][C][C][Branch1][C][C][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch...
[O][C][Branch1][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][C][Branch1][C][C][C]
0.53
[O][=C][N][Branch1][C][C][C][C][Branch1][#C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][Ring2][Ring1][O]
[O][=C][O][C][C][C][Ring1][Branch1][=C][C][C][C][C][C][C][Branch1][S][C][=Branch1][N][=C][C][C][Branch1][C][C][Branch1][C][C][C][O][C][C][Ring2][Ring1][Ring1][Ring1][=C]
0.49
[O][=C][Branch3][Ring1][C][Ring2][N][C][Branch1][Ring1][C][O][C][Branch2][#Branch2][N][O][C][O][C][Branch2][=Branch1][C][C][O][C][O][C][Branch2][Ring2][Branch2][C][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][...
[O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.77
[O][=C][C][=Branch2][Branch2][=Branch2][=C][C][C][Branch1][C][O][C][=C][C][Branch1][N][C][=C][N][C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][Ring2][Ring1][=Branch2][Ring1][Branch2][C][C][#C][C][C][Branch1][Branch1][C][Ring2][Ring1][O][C][Branch1][#Branch...
[O][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][Branch1][C][O][Branch1][C][C][C][C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][N][C][C][O][C][=Branch1][Branch1][=C][C][=Ring1][Branch1][C][O]
0.67
[O][=C][Branch2][Ring1][#C][C][=C][Branch1][C][O][C][=C][Branch1][S][O][C][C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][O][C][O]
[O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][Ring2][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][...
0.51
[O][=C][O][C][=Branch2][Ring1][#Branch1][=C][Branch2][Ring1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][O][=C][Ring1][=N][Ring1][=Branch2][C][C]
[O][=C][Branch2][=Branch2][C][O][C][Branch2][Ring2][Branch2][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][=Branch1][O][=N][C][C][C][N][C][=Branch1][C][=N][N][O][C][Branch2][Branch1][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch2][Ring1][Branch1][O][C][O][C][B...
0.5
[O][=C][Branch2][Ring2][#Branch1][O][C][C][=Branch1][C][=O][O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][Ring1][=N][Ring1][=Branch2][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C]
[O][=C][Branch2][Branch2][Branch1][O][C][C][C][=C][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][Branch1][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C][Ring2][...
0.27
[O][=C][Branch1][C][O][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C]
[O][=C][Branch1][Branch2][C][=C][O][C][=C][Ring1][Branch1][C][C][=C][Branch1][C][C][C]
0.4
[O][=C][N][=C][Branch1][#Branch1][S][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N]
[O][=C][Branch1][C][N][N][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C][Branch2][Ring2][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][C][N][C][C][N][C][=Branch1][C][=O][C][Branch...
0.37
[O][=C][C][C][=Branch1][C][=O][O][C]
[O][=C][Branch1][C][O][C][=C][C][Branch2][P][Ring1][C][Branch2][S][=Branch1][C][Branch1][Ring2][O][Ring1][=Branch1][O][C][C][Branch1][C][O][C][Branch1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][#C][O][C][Ring1][N][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][O][C][C][Branch1][C][O][C][Branch1][#...
0.26
[O][=C][C][=C][Branch2][Branch1][=N][O][C][=C][C][Branch2][Ring2][#Branch2][O][C][O][C][Branch1][Ring1][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][C][O][C][Ring2][Ring1][Branch1][O][=C][C][Branch1][C][O][=C][Ring2][Ring2][C]...
[O][C][Branch1][=Branch1][C][=Branch1][C][=C][C][C][C][=C][Branch1][Ring1][C][=C][C]
0.32
[O][=S][=Branch1][C][=O][Branch2][=Branch1][S][O][C][=C][C][=Branch2][Branch1][Branch1][=C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C]...
[O][=C][Branch1][Ring2][O][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.33
[N][=C][C][=N][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
[O][=C][C][=Branch2][Ring2][Branch1][=C][O][C][=C][Ring1][=Branch1][C][=C][C][O][C][N][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1][=Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.67
[O][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][O][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Branch1][C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][=Branch2][C][C][Ring1][=N]
[O][=C][O][C][=C][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][Branch1][O][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring2][Ring1][O][Ring1][=Branch1]
0.7
[O][=C][Branch1][C][O][C][Branch1][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][Branch1][C][O][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C...
[O][=C][C][=Branch1][P][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch2]
0.58
[O][=C][C][C][C][C][Branch2][Ring2][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][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#C][C][C][C][Branch1][C][C][C][Ring2][Ring...
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C]
0.54
[O][=C][Branch2][#Branch2][#C][O][C][C][Branch1][N][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][Branch2][Ring1][=Branch1][O][C][Ring1][Ring1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][C][C][Ring2][Ring1][Ring2][Ring1][Branch2][C][C][C][C][C][C][Branch2][#Branch1][Ring1][O][C][O][C][Branch1][C][C][C][Bran...
[N][C][=C][N][Branch2][Ring1][=C][C][=Ring1][Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=Branch1][Branch1][=C][NH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C]
0.55
[O][=C][Branch1][C][O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O]
[O][=C][Branch2][Ring2][S][O][C][C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C]
0.61
[O][=C][C][C][C][C][C][C][Branch2][O][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][#Branch2][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Branch2][Branch2][N][C][#C][C][=C][C][=C][C][=Branch2][#Branch1][S][=C][Ring1][=Branch1][C][C][Branch1][Ring1][N][C][C][C][C][C][C][Br...
[O][=C][Branch1][C][O][C][C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C][Branch1][C][O][C][Branch1][C][O][C][C]
0.55
[O][=C][Branch1][Ring1][O][C][C][=C][O][C][Branch2][Ring2][=Branch1][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][C][=Branch1][=Branch2][=C][C][C][Ring2][Ring1][=C][Ring1][Branch1][C][O]
[O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][N][C][Ring1][#Branch2][Branch1][C][C][C]
0.64
[O][=C][C][C][=C][O][C][=Ring1][Branch1][N][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#C][Ring1][Branch2][C][C][=C][Branch1][C][C][C]
[O][=C][C][C][=Branch1][C][=O][C][C][=Branch2][Ring2][C][=C][C][NH1][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][N][C][NH1][C][=C][C][=Ring1][Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=...
0.42
[O][=C][Branch2][Ring2][#C][O][C][C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][O][C][Branch1][Ring1][O][C][Branch1][=Branch1][C][Ring2][Ring1][C][O][C][Ring2][Ring1][C][Branch1][#Branch1][N][C][C][Ring2][Ring1][Branch1][C][Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C]...
[O][=C][Branch1][C][O][C][N][Branch1][=Branch1][C][=Branch1][C][=N][N][C]
0.53
[O][=C][C][=C][C][=C][N][Ring1][=Branch1][C][C][C][N][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Branch2][Ring2][=Branch1][C][Branch1][#Branch2][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][O][...
[O][=C][Branch2][Branch1][Branch1][O][C][C][Branch2][Ring1][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][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
0.53
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N]
[O][=C][C][C][Branch1][C][O][C][Branch1][=Branch2][C][C][C][=C][NH1][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][C][=C][Branch2][=Branch2][Branch2][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch2][Branch2][Ring2][S][S]...
0.46
[O][=C][Branch1][C][O][C][C][C][=C][C][C][Branch2][Ring1][Ring1][C][C][C][C][C][C][C][C][=C][Branch1][Ring2][C][C][N][C][C][Ring1][Branch2][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Ring2][R...
[O][C][O][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][Ring1][P][O]
0.69
[O][C][Branch1][C][C][C][C][N][Branch1][C][C][C][C][C][Ring1][=Branch1]
[O][C][=C][Branch1][S][N][=C][Branch1][O][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][C]
0.36
[O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][C][C][C][Branch1][#Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Ring2][C][Ring1][=N][C][C]
[C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]
0.24
[C][#C][C][=C][C][C][C][C][C][=C][C][#C][C][#C][C][C][C][C][=C][C][#C][C][O]
[O][=C][N][C][C][=C][C][=C][C][=C][O][C][Branch2][Ring2][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][NH1+1][Branch1][C][O-1][C][Ring1][=C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][Branch2][N][Branch1][=Branch1][C][Ring2][Ring1][Branch2][=O][C][C][C][Ring1][#Branch1][Branch1][...
0.67
[O][=C][Branch2][#Branch1][Ring1][O][C][C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][C][C][Ring1][=N][=C][Ring1][P][O][C][Ring2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][C][#C][C][=N][C][Branch1][C][N][=C][Branch2][Ring...
[O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Branch1][=C][Ring1][Branch2][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C]
0.63
[O][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][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][Branch2][Ring2][Ring1][C][=C][Branch2][Ring1][Ring2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1]...
[O][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][C][C][C][C][Branch1][C][O][C][C][Ring1][O][Ring1][#Branch1][C][C]
0.47
[O][=C][C][=C][C][=C][N][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][C][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Ring1]
[O][=C][Branch2][Branch2][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C][O][C][O][C][Ring1][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][C][C][C][C][Ring1][Ring1][C][C][C][Branch2][Ring2][Ring2][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][O][C][Branch1][Ring1][C]...
0.49
[O][=C][Branch2][=Branch2][=Branch1][O][C][C][O][C][Branch2][#Branch1][=Branch1][O][C][C][C][C][C][C][Ring1][Ring1][C][C][C][Branch1][C][C][C][Branch2][Ring2][#C][C][Branch1][C][O][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][Branch1][P][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][...
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
0.39
[O][Branch1][C][C][C][Branch1][C][C][C][C][C][C][C][C][C]
[O][=C][O][C][C][C][Branch2][Branch2][C][O][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][O][C][Ring1][Branch2][=O][C][Ring2][Ring1][Branch1][C][C][C][Branch1][C][C][C][Branch1][#C][O][C][=Branch1][C][=O][C][O][C][Ring1][P][Ring1][=Br...
0.57
[O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][N]
[O][=C][Branch1][C][O][C][Branch2][Ring1][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][Branch1][C][O][C][C][Branch1][=N][C][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][Branch1][Branch1][C][C][C][O][C][Ring2][Ring1][C]
0.39
[O][=C][Branch1][C][O][C][C][S][Branch1][C][C][C]
[O][=C][Branch2][#Branch1][Ring2][O][C][C][Branch1][C][O][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][N][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][N][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][N][C][C][C][N][C][Branch1][Branch2][O][C][Ring2][Ring2][Ring1][C][O][N][C][=N][C][Bran...
0.51
[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][Branch2][=C][Branch2][O][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][O][C][O][C][=C][O][C][=Branch1]...
[O][=C][C][=C][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][C][C][C][O]
0.62
[O][=C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][O][C][O][=C][Ring1][#Branch2][C][#C][C][C][=C][C][=Branch2][Branch1][=Branch2][=C][C][Branch2][Ring2][C][O][C][Branch1][C][O][C][Branch1][Ring2][C][Ring1][#Branch1][C][C][N][=C][Branch1][C][N][N][C][Branch1][#Branch1][C][S][S][C][Ring1][O][C][Branch1][C][C][...
[O][=C][C][C][C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][C][Ring1][P][C][C]
0.54
[O][=C][O][C][=C][Branch2][#Branch1][=N][C][=C][C][O][C][Branch1][C][C][Branch2][=Branch1][O][C][O][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Branch1][C][C][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C]...
[N][#C][C][C][=C][C][Branch1][C][Br][=C][Branch1][O][O][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][Br][=C][Ring1][S]
0.53
[O][=C][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][C][Branch2][S][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Branch2][S][N][C][=Branch1][C][=O][C][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C][=Branch1][Ring1][=C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][C][N][C][=Branch1][C][=O...
[O][=C][O][C][Branch1][Ring1][O][C][Branch1][C][C][C][C][Ring1][Branch2][C][C][C][C][C][C][C][C][C][=C][C][C][C][C]
0.32
[N][=C][O][C][C][Branch1][=Branch1][N][=C][C][=Ring1][Branch1][=C][Ring1][=Branch2][N]
[O][=C][C][=Branch2][Ring2][#Branch2][=C][O][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch2][Ring1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][O][C][Ring1][Ring2][C][Ring1][#C][=Ring1][#Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
0.45
[O][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][O][=N][O][C][=Ring1][Branch1][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2]
[Cl][C][C][C][Branch1][C][Br][C][=C][C][O][C][Ring1][Branch1][C][Ring1][#Branch2]
0.29
[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]
[O][=C][Branch1][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][Branch1][C][C][C][C][C][C][=C][Branch2][Ring1][=N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S][Ring1][N][C][Ring2][Ring1][Ring2][Branch1][C][C][C][C][C][Ring2][...
0.35
[O][=C][Branch2][#Branch1][C][O][C][C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch2][Branch1][=C][C][=Branch1][=N][=C][C][C][Ring1][Branch1][C][=C][O][C][=C][Ring1][Branch1][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][=Branch2][Ring1][P][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][...
[O][=C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O]
0.4
[N][C][=Branch1][N][=N][C][C][=Ring1][Branch1][O][C][=C][C][=Ring1][=Branch1][N]
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][N][O][C][C][Branch1][Branch1][C][Ring1][=Branch1][O][C][C][O][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][Rin...
0.46
[O][=C][O][C][C][C][Branch1][C][C][C][C][C][C][Branch1][Branch1][O][C][Ring1][Ring1][C][Ring1][=Branch2][C][C][Ring1][=N][C][Ring1][S][C][N][C][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C]
[O][=C][Branch1][C][O][C][C][Branch2][P][C][N][C][=Branch1][C][=O][C][Branch2][#C][S][N][C][=Branch1][C][=O][C][Branch2][=C][N][N][C][=Branch1][C][=O][C][Branch2][=N][Branch1][N][C][=Branch1][C][=O][C][Branch2][N][#Branch1][N][C][=Branch1][C][=O][C][Branch2][#Branch2][S][N][C][=Branch1][C][=O][C][Branch2][=Branch2][N][...
0.84
[O][=C][Branch2][=Branch1][Branch1][O][C][C][O][C][Branch2][Ring1][#Branch2][O][C][O][C][Branch1][Branch2][C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=N][O][Branch1][Ring1][C][O][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O]...
[O][=C][C][=C][Branch2][=Branch1][#C][O][C][=C][C][Branch2][Branch1][N][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][Ring2][Ring1][Branch1][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Bran...
0.42
[O][=C][Branch1][=Branch2][O][C][C][O][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C]
[O][=C][C][=C][C][Branch1][C][O][C][C][=C][Branch1][C][C][C][Branch2][Ring1][S][O][C][O][C][Branch1][C][C][C][Branch1][Branch2][N][=C][Branch1][C][O][O][C][C][Branch1][=Branch1][N][Branch1][C][O][O][Branch1][C][C][C][Ring1][S][C][C][=C][Branch1][C][C][C][C][=C][C][C][Branch2][=Branch1][C][O][C][O][C][Branch1][Ring1][C]...
0.61
[O][=C][Branch1][=Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][C][Branch2][Ring1][=N][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1]
[O][=C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][=Branch2][=Branch2][O][C][C][=C][C][=C][C][Branch2][Branch2][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][Branch1][#Branch2][C][=C][Ring1][=N][C][Branch1][C][O][O][=C][Ring1][S][Ring1][N][C][C][#C][O][C][Branch1][Branch1][C][Ring2][Ring2][Ring1][C]...
0.56
[O][C][C][O][C][Branch2][Branch1][=Branch2][O][C][C][Branch1][C][O][C][Branch1][C][O][C][O][C][Ring1][Branch2][O][C][C][O][C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][O][C][Ring1][=Branch2][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Ring2][O][C][Branch2][Ring1...
[O][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][Ring1][=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]
0.7
[O][=C][C][=C][Branch2][#Branch2][Branch1][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][O][C][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][C][C][C][C][Branch...
[O][=C][Branch1][C][O][C][C][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1]
0.42
[O][=C][Branch2][O][#Branch2][N][C][C][Branch2][Ring2][#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][Ring2][Ring1][C][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][O][C][C][C][C][Branch1][C][C][C][C][C][=C][C][C][C][Bra...
[S][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][C][C][C]
0.45
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][O][C][N][Ring1][N][C][C][=Branch1][Ring1][=C][C][C][Ring1][#Branch1]
[O][=C][Branch1][C][O][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][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][O][C][Branch1][Ring1][C][O][C][...
0.6
[O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][Ring1][=N][C]
[O][=C][Branch2][Branch2][=C][O][C][C][O][C][Branch2][#Branch1][=Branch2][O][C][C][Branch1][C][O][C][Branch2][=Branch1][Branch1][O][C][C][=Branch1][C][=O][C][=C][Branch1][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...
0.69
[O][=C][Branch2][Branch1][=Branch1][O][C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][Ring2][Ring1][C][C][C][Ring2][Ring1][Ring2][C][=C][O][C][=C][Ri...
[O][=C][O][C][Branch1][C][C][Branch1][N][C][C][Branch1][C][O][C][C][Branch1][C][C][C][C][C][C][C][Branch2][#Branch2][N][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Branch2][Ring2][O][C][O][C][C][Branch1][C][O][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Ring1][N][O][C][O][C][Branch...
0.43
[O][=C][Branch2][S][#C][N][C][Branch2][S][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][=C][P][C][=Branch1][C][=O][N][C][Branch2][=C][Ring2][C][=Branch1][C][=O][N][C][Branch2][=N][#Branch1][C][=Branch1][C][=O][N][C][Branch2][N][Branch1][C][=Branch1][C][=O][N][C][Branch2...
[O][C][Branch1][Ring1][C][=C][C][C][C]
0.56
[O][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring1][Branch2]
[O][=C][O][C][=C][C][=Branch2][Ring2][Ring1][=C][C][Branch1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][S][C][=Branch1][Branch1][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
0.51
[O][=C][C][=C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][O][=C][Branch2][Branch1][=Branch1][C][Branch1][C][O][=C][Ring1][O][C][Ring1][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=C][Branch2][Ring1][O][N][C][Branch2][Ring1][C][C][=N][C][=Branch1][Branch1][=N][O][Ring...
[O][=C][Branch1][Ring1][O][C][C][C][C][C][C][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C]
0.63
[O][=C][O][C][C][Branch2][Ring1][#Branch2][C][C][C][Branch1][C][O][Branch1][C][C][C][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][Ring1][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C]
[O][=C][Branch1][C][O][C][C][C][C][=Branch1][Ring1][=C][O][C][Branch2][#Branch2][=Branch2][C][C][C][N][C][=C][C][=C][Branch2][=Branch2][=Branch2][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][Ring2][=C][C][C][B...
0.75
[O][=C][O][C][C][=C][Branch2][#Branch2][=Branch1][O][C][=C][Ring1][Branch1][C][C][C][Ring1][=Branch2][C][#C][C][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Branch1][C][O][C][=Branch1][C][=O][C][C][Branch2][#Branch1][Branch2][O][C][C][=Branch1][Branch1][=C][C][Ring1][=Bran...
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][Ring1][=C][N][Branch1][C][C][C][C][Ring2][Ring1][Ring1][O]
0.53
[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
[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][=Branch1][Ring2][=C][C][C][#C][C][C][C][Branch1][=Branch2][C]...
0.64
[O][=C][Branch2][Ring1][#Branch2][N][C][Branch1][Ring1][C][O][C][Branch1][C][O][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][C][C]
[O][C][C][O][C][Branch2][=Branch1][Branch2][O][C][C][C][Branch1][C][C][C][Branch2][Ring2][=Branch1][C][C][Branch1][C][O][C][C][Branch2][Ring1][Ring1][C][=Branch1][#C][=C][C][Branch1][C][O][C][O][C][Ring1][Ring1][Branch1][C][C][C][C][C][C][C][Ring2][Ring1][Branch1][Ring1][#C][C][C][Branch1][C][C][C][C][C][Branch1][C][O]...
0.35
[O][=C][Branch1][C][O][C][C][C][S][C][C][=C][C][C][C][=C][C][C][=C][C][C][=C][C][C]
[O][=C][C][=C][N][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][O][C][=Branch2][=Branch1][=N][=C][N][C][=Branch1][C][=O][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][C][O][=C]...
0.45
[O][=C][Branch1][Ring2][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
[O][=C][Branch2][#Branch1][=Branch2][O][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][N][C][C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch2][Ring2][=C][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][O][C][Branch1]...
0.71
[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][O][C][Branch2][#Branch2][O][O][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][OH1+1][C][Ring1][N][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][Branch1]...
[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][Ring2][C][C][C][C][Branch1][C][O][C][C][=C][C][=Branch1][Branch1][=C][NH1][Ring1][Branch1][C][Branch1][C][C]...
0.56
[O][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][Branch2][N][C][N][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][Branch2][#Branch2][#Branch2][N][=C][Branch1][C][O][C][Branch2][Ring1][=Branch2][N][=C][Branch1][C][O][C][Branch1][Ring1][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][...
[O][=C][C][=C][Branch2][Ring2][#C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][Branch1][N][C][C][=Branch1][C][=O][C][Ring1][N][Ring1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Bra...
0.48
[O][=C][Branch1][Ring1][O][C][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][C][C][C]
[O][=C][Branch2][=Branch1][C][O][C][C][C][C][Branch1][C][C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][Ring1][=Branch2][C][C][=C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring2][Ring1][Ring2][Ring1][#C][C][C][Ring2][Ring1]...
0.48
[O][=C][Branch2][Ring2][#C][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][C][C][C]
[O][C][=C][C][=Branch1][O][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][C][C][C][C][C][C][C][C][=C][C][C][C][C]
0.43
[O][=C][Branch1][C][O][C][C][Branch2][Ring1][#Branch2][N][=C][Branch1][C][O][C][Branch1][S][N][=C][Branch1][C][O][C][Branch1][C][N][C][C][=Branch1][C][=O][O][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch2][Ring1][Ring1][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][N][C][=Branch1][C][=...
[O][=C][Branch1][C][O][C][C][C][C][C][=C][C][Branch1][C][C][C]
0.32
[O][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][Branch1][#C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][=C][=C][Branch2][Ring1]...
[C][=C][C][=Branch1][#C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Ring1][O][C][C][Ring1][N][Branch1][C][C][C]
0.65
[O][=C][C][=C][Branch2][Ring1][=C][O][C][=C][C][Branch1][=N][O][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]
[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][C][C][C][C][C][Branch2][Branch1][#Branch1][C][S][S][C][C][Branch1][Branch2][N][C][=N][C][=C][Ring1][Branch1][C][C][Branch2][Ring1][S][C][=C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Ring1][#Br...
0.52
[O][C][C][C][C][Branch1][C][O][Branch2][Ring1][N][C][=C][C][C][=Branch2][Ring1][Ring2][=C][C][O][C][Ring1][=N][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][C][C]
[O][=C][Branch2][=Branch2][#C][N][C][Branch2][=Branch2][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Branch2][=Branch2][C][=Branch1][C][=O][N][C][Branch2][#Branch1][O][C][=Branch1][C][=O][N][C][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C][Branch2][Branch1][#C][C][=Branch1][C][=O][N][C][Branch2][Branch1][C][C][=Bran...
0.41
[O][=C][O][C][C][C][O][C][Branch2][Ring2][=N][O][C][C][Branch1][=N][O][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][=Branch1][C][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Ring1][Ring1][=Branch2][C][C][=Branch1][C][=O][C][Ring2][R...
[O][=C][N][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
0.68
[O][=C][Branch1][C][O][C][=C][C][Branch2][#Branch2][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][=Branch2][Branch2][O][C][Branch2][#Branch1][O][C][=C][C][=Branch1][Branch1][=C][C][Ring1][Branch1][C][Branch2][=Branch1][O][C][O][C][C][C][C][C][C][Branch2][Ring2][#C][N][N][C][Ring1][=Branch1][C][C][Branch2][Ring1][P]...
[O][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][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][Ring1][Ring1][S][C]
0.56
[N][Branch1][C][C][Branch1][C][C][C][C][N][Branch1][Branch1][C][C][Ring1][Branch1][C][Branch1][C][C][C][Branch1][C][C][C]
[O][=C][Branch1][C][O][C][Branch2][#Branch2][#C][N][C][=Branch1][C][=O][C][Branch2][=Branch2][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][Ring1][N][C][=Branch1][...
0.58
[O][=C][Branch1][C][N][C][Branch2][=Branch1][#Branch2][N][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch1][N][N][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][N][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][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][Branch1][P][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][C][Ring1][Branch2][O][C]
0.65
[O][C][C][O][C][Branch2][Branch1][#C][O][C][C][C][Branch2][Branch1][#Branch1][C][=Branch2][Ring1][P][=C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][C][Ring2][Ring1][C][Ring1][=C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][=N][Ring1][B...
[O][=C][Branch1][#C][O][C][C][=C][C][N][C][C][C][C][Ring1][Branch2][Ring1][Branch1][C][Branch1][C][O][Branch1][#Branch1][C][Branch1][Ring1][O][C][C][C][Branch1][C][C][C]
0.56
[O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][C][C][Branch1][C][F][C][Branch1][P][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Ring2][Ring1][C]
[O][=C][Branch2][Branch2][=Branch1][O][C][C][O][C][Branch2][=Branch1][C][S][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C][=C][C][=C][Ring1][Branch2][S][C][O][C][Branch1][Branch2][C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][Branc...
0.57
[O][=C][O][C][C][Branch2][#Branch1][P][O][C][Branch1][C][C][C][Branch2][#Branch1][Ring1][O][C][O][C][Branch1][C][C][C][Branch2][Ring1][=C][O][C][O][C][Branch1][C][C][C][Branch1][N][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Ring1][#C][O][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C...
[O][=C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.62
[O][=C][Branch1][O][N][C][C][Branch1][C][O][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
[O][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch1][O][C][C][N][C][Branch1][C][O][=C][Ring1][O][C][C][Branch1][C][O][C][O][C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=C][O][C][Ring1][S][Branch1][Ring2][C][N][C][C][Ring2][...
0.68
[O][=C][Branch1][C][N][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch3][Ring1][C][=C][N][C][=Branch1][C][=O][C][Branch2][P][#Branch2][N][C][=Branch1][C][=O][C][Branch2][S][=Branch1][N][C][=Branch1][C][=O][C][Branch2][#C][Branch2][N][C][=Branch1][C][=O][C][Branch2][=C][O][N][C][=Branch1][C][=O][C][Branch2][=N][#Branch1...
[O][C][C][=C][C][Branch2][O][#C][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][=Branch1][O][C][Ring1][Branch2][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][=Branch2][Branch2][O][C][C][=Branch2][Branch2][S][=C][C][Branch2][Branch2][C][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][=Branch1][O]...
0.62
[O][=C][Branch1][C][N][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C]...
[O][=C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch2][Ring2][N][C][=Branch2][Ring2][#Branch1][=C][C][C][=C][Branch1][C][C][C][C][Branch1][Ring1][C][O][C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][=N][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][C]
0.4
[O][=C][O][C][C][C][=C][C][=C][Branch2][#Branch1][=Branch1][O][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][#C][C][Branch2][Ring1][=Branch1][C][=C][C][=Branch1][#Branch2][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][N][C][C][Branch1][C][O][C][C][C][Ring2][Ring1][#C][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=Bra...
[O][=C][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][S][=Branch1][C][=O][=Branch1][C][=O][N]
0.61
[O][=C][O][C][=C][Branch2][=Branch2][Branch1][C][=C][C][O][C][Branch2][Ring1][=Branch2][C][C][C][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][Ring1][P][Ring1][=N][C][O][C][=Branch1][C][=O][C][=Branch1][#Branch1][=C][Branch1][C][C][C][O][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1]...
[O][=C][C][O][C][Ring1][Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][Branch1][C][C][C]
0.55
[O][=C][Branch2][Ring2][Ring2][N][C][C][O][C][C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][Ring2][Ring1][Ring2][O][C][C][C][Ring1][Ring1]
[O][=C][C][Branch1][C][C][C][Branch2][Branch1][O][O][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][Branch1][P][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][Ring2][Ring1][Ring2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2]...
0.62
[O][C][C][Branch1][C][N][C][Branch1][C][O][C][=C][C][C][C][C][C][C][C][C][C][C][C][C][C]
[O][=C][C][C][C][C][Branch1][C][O][C][C][C][C][Branch2][=Branch1][Ring1][C][C][Branch2][Branch1][=Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][S][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][Ring1][N][C][Branch1][O][C][=C][Ring1][#Branch2][C][N][C][C][N][C][C][C][Ring2][Ring1][N][...
0.59
[N][O][C][=Branch2][Ring1][=C][=C][C][=Ring1][Branch1][C][C][C][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][N][Branch1][C][C][C][C][N][Branch1][C][C][C]
[O][=C][O][C][C][Branch1][C][C][C][Branch2][Branch1][Branch2][O][C][Branch2][Ring2][=C][C][C][=C][C][=N][C][=Branch1][Branch1][=C][O][Ring1][Branch1][C][O][C][Branch1][=Branch2][C][C][Branch1][C][O][C][Ring1][#Branch1][C][C][O][C][Branch1][#Branch1][C][C][=C][Ring2][Ring1][=C][C][C][=Branch1][C][=C][C][Ring1][#Branch2]...
0.64
[O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][Branch1][O][C][Ring1][Ring1][C]
[O][=C][Branch2][Ring1][=Branch1][O][C][C][C][C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][N][C][C][C][=C][C][C][Ring1][O][C][O][C][Ring1][Ring1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Branch2][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][Branch1][C][C][C][C][C][=Branch2][Ring1][C][...
0.78
[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][O][C][Branch1][Branch1][O][C][C][N][C][Branch2][Branch1][Ring2][O][O][C][=C][C][=Branch2][Ring2][Branch1][=C][O][C][C][C][=C][C][O][C][O][C][=Ring1][Branch1][C][=Branch1][#C][=C][Ring1][=Branch2][O][C][Ring1][N][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][C][Branch1][...
[O][=C][Branch2][=C][#Branch2][N][C][C][=Branch1][C][=O][N][C][Branch2][=N][#Branch1][C][C][=C][C][=C][Branch2][N][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][O][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][=Branch2][#C][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Branch2][#Branch2][O][C][O][C][...
0.55
[N][#C][C][O][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][Ring1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
[O][=C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][O][C][Branch2][#C][Ring2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch2][=N][P][N][C][Branch2][=N][#Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=C][C][=Branch1][C][=O][N][C][Branch2][O][O][C][=Branch1][C][=O]...
0.57
[N][N][=C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][N][N][C][S][C][=Ring1][P][Ring1][Branch1]
[O][=C][C][=C][C][Branch1][Ring1][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch2][C][C][C][Branch2][Branch2][O][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][Branch1][C][O][C][=C][Ring1][=N][C][#C][C][C][N][=C][Branch1][C][N][N][C][Branch2][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ri...
0.56
[O][=C][Branch2][Branch1][=Branch1][O][C][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][C][C][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][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C][C][=C][C][C][=C][C][C][=C][C][C][C][C][C]
[O][=C][O][C][Branch2][#Branch2][Ring2][C][C][=Branch2][=Branch2][=C][=N][C][Branch2][=Branch2][=Branch1][C][=Branch2][Branch2][P][=N][C][Branch2][Branch2][#Branch1][C][=Branch2][Branch2][C][=N][C][Branch2][#Branch1][#Branch2][C][=Branch2][#Branch1][Branch1][=N][C][Branch2][=Branch1][#Branch1][C][=Branch2][=Branch1][C]...
0.44
[O][=C][Branch1][Ring2][O][C][C][C][S][C][=Branch1][=Branch1][=N][C][=Ring1][Branch1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][Branch2][N][C][=C][Ring1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][O][C][=C][Branch1][C][Cl][C...
[O-1][NH1+1][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][N][=C][Ring1][O][Ring1][#Branch1]
0.42
[O][=C][C][=C][Branch1][=Branch1][C][=C][C][=C][C][N][C][C][Ring1][O]
[O][=C][Branch2][=Branch1][Ring2][O][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][Branch2][Ring2][P][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][Ring1][=Branch1][=C][C][C][Ring1][#Branch2][Branch1][C][C][C][Ring1][S][C][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][...
0.69
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][N][O][C][C][Branch1][Branch1][C][Ring1][=Branch1][O][C][C][O][C][C][C][Branch1][C][O][C][C][C][C][C][N][C][Ring1][O][Ring1][...
[O][=C][O][C][C][=C][Ring1][Branch1][C][C][=Branch2][=Branch1][=Branch1][=C][C][Branch2][Branch1][=N][O][C][Branch1][C][O][C][C][C][Ring1][Branch2][Branch1][C][C][C][Branch1][N][O][C][=Branch1][C][=O][C][=Branch1][Ring1][=C][C][C][C][O][C][C][Branch1][C][C][C][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][C][Branch1]...
0.22
[O][=C][C][=C][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][Ring2][Ring1][Ring2][O][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
[O][N][=C][C][C][Branch1][C][C][C]
0.49
[O][=C][Branch1][Ring2][O][C][C][C][=C][Branch2][Ring1][#C][N][C][=Branch2][Ring1][=Branch2][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C]
[O][=C][Branch2][Branch2][C][O][C][O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][Ring1][N][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][Ring1][=Branch2][C][O][C][=C][C][Branch1][C][O][=C...