0  B7R1.1  C#CC1=CSC=C1 R00199 [0,0,0,0,0,0|3,0,1]=4
1  B7R1.1  C1=C(NC=N1)C#N R0012S [0,0,0,0,0,0|3,0,1]=4
2  B8R1.2  C1=CC(=CN=C1)C#N R0016D [0,0,0,0,0,1|2,0,1]=4
3  B8R1.2  C1=CC(=CN=C1)CCl R00167 [0,0,0,0,0,1|2,0,1]=4
4  B8R1.2  C1=CC=NC(=C1)C#N R000WD [0,0,0,0,0,1|2,0,1]=4
5  B8R1.2  C1=CC=NC(=C1)C=O R000XZ [0,0,0,0,0,1|1,0,0]=2
6  B8R1.2  C1=CC=NC(=C1)CCl R0011I [0,0,0,0,0,1|2,0,1]=4
7  B8R1.2  C1=CC=NC(=C1)CO R000W3 [0,0,0,0,0,1|1,0,2]=4
8  B8R1.2  C1=CN=C(N=C1)C#N R000RY [0,0,0,0,0,1|2,0,1]=4
9  B8R1.2  C1=CN=C(N=C1)NN R000S3 [0,0,0,0,0,1|3,0,0]=4
10  B8R1.2  C1=CN=CC=C1C#N R00182 [0,0,0,0,0,1|2,0,1]=4
11  B8R1.2  C1=CN=CC=C1CCl R00181 [0,0,0,0,0,1|2,0,1]=4
12  B8R1.2  C1=CN=CC=C1CO R00180 [0,0,0,0,0,1|1,0,2]=4
13  B8R1.2  COC1=CC=CC=N1 R0011W [0,0,0,0,0,1|3,0,0]=4
14  B9R1.1  C1=CC(=NC=C1C=O)Cl R001BR [0,1,0,0,0,1|1,0,0]=3
15  B9R1.2  C1=CC(=CC(=C1)O)C=O R000SR [0,1,0,0,0,1|1,0,0]=3
16  B9R1.2  C1=CN=C(C=C1C=O)Cl R00148 [0,1,0,0,0,1|1,0,0]=3
17  B9R1.2  C1=CN=C(C=C1Cl)C=O R0018B [0,1,0,0,0,1|1,0,0]=3
18  B9R1.2  CC1=CC=CC(=N1)C=O R001BD [0,1,0,0,0,1|1,0,0]=3
19  B9R1.6  C1=CC(=CN=C1)C(=O)O R00163 [0,1,0,0,0,1|1,0,0]=3
20  B9R1.6  C1=CC=NC(=C1)C(=O)O R000WS [0,1,0,0,0,1|1,0,0]=3
21  B9R1.6  C1=CN=CC=C1C(=O)O R00172 [0,1,0,0,0,1|1,0,0]=3
22  B9R1.6  CC(=O)C1=CC=CC=N1 R0014L [0,1,0,0,0,1|1,0,0]=3
23  B9R1.6  CC(=O)C1=CC=NC=C1 R00186 [0,1,0,0,0,1|1,0,0]=3
24  B9R1.6  CC(=O)C1=CN=CC=C1 R0016Z [0,1,0,0,0,1|1,0,0]=3
25  B9R1.15  C1=CC(=C(N=C1)Cl)C=O R000YH [0,1,0,0,0,1|1,0,0]=3
26  B9R1.41  C1=CSC(=C1F)C(=O)O R0016J [0,2,0,0,0,0|0,1,0]=3
27  B7R1.3  C1=CC(=CN=C1)Br R0016G [0,0,1,1,0,0|2,0,0]=4
28  B7R1.3  C1=CC(=CN=C1)N R0016C [0,0,1,1,0,0|2,0,0]=4
29  B7R1.3  C1=CC(=CN=C1)O R0016E [0,0,1,1,0,0|1,0,0]=3
30  B7R1.3  C1=CC=C(C=C1)Br R0018D [0,0,1,1,0,0|2,0,0]=4
31  B7R1.3  CC1=CN=CC=C1 R0016F [0,0,1,1,0,0|2,0,0]=4