0  B21R3.20467948  CC1=C(C=O)C(=O)N2C(=C1C#N)Nc3ccccc32 Amb19203829 [0,0,0,0,0,0|0,0,2]=2
1  B21R3.20467948  CCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl Amb1691968 [0,0,0,0,0,0|2,0,1]=3
2  B21R3.20467948  CCc1c(C)c(C#N)c2nc3ccccc3n2c1S Amb1161228 [0,0,0,0,0,0|1,1,1]=3
3  B21R3.20467948  Cc1c(C=O)c(Cl)n2c(nc3ccccc32)c1C#N Amb534519 [0,0,0,0,0,0|1,0,0]=1
4  B22R3.4161620  N#CC1=C2Nc3ccccc3N2C(=O)C(C=O)=C1CCl Amb19203930 [0,1,0,0,0,0|0,0,2]=3
5  B22R3.4386656  CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN Amb1824039 [0,1,0,0,0,0|2,0,1]=4
6  B22R3.7942133  C=CCC1=C(C)C(C#N)=C2Nc3ccccc3N2C1=O Amb19757179 [0,1,0,0,0,0|1,0,2]=4
7  B22R3.7942133  C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl Amb1270978 [0,1,0,0,0,0|2,0,0]=3
8  B22R3.7942133  CCCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl Amb1692002 [0,1,0,0,0,0|2,0,1]=4
9  B22R3.7942133  Cc1c(CCCl)c(Cl)n2c(nc3ccccc32)c1C#N Amb1161196 [0,1,0,0,0,0|2,0,1]=4
10  B22R4.4928938  N#Cc1c2c(c(Cl)n3c1nc4ccccc43)CCC2 Amb1161189 [0,0,0,1,0,0|2,0,1]=4
11  B19R3.40918  CC1=CC(=O)N2C(=C1C#N)Nc3ccccc32 Amb17989204 [2,0,0,0,0,0|0,0,2]=4
12  B19R3.40918  Cc1cc(Cl)n2c(nc3ccccc32)c1C#N Amb1269870 [2,0,0,0,0,0|1,0,0]=3
13  B19R3.40918  Cc1cc(O)n2c(nc3ccccc32)c1C#N Amb577820 [2,0,0,0,0,0|0,0,0]=2
14  B19R3.40918  Cc1cc(S)n2c(nc3ccccc32)c1C#N Amb1151588 [2,0,0,0,0,0|0,1,0]=3
15  B19R3.2080221  N#Cc1cc(C=O)cn2c1nc3ccccc32 Amb33457590 [2,0,0,0,0,0|0,0,0]=2
16  B21R2.77480  CC1=C(C#N)C(=O)N(Cc2ccccc2)C(Cl)=C1C=O Amb18529075 [0,0,1,0,0,1|2,0,0]=4