0  B6R1.1  C1CSCCN1 CM13980 [0,0,0,0,0,0|1,0,0]=1
1  B7R1.3  C1COC(=O)CN1 CM10412 [0,1,0,0,0,0|1,0,1]=3
2  B7R1.3  C1COCCC1=O CM14255 [0,1,0,0,0,0|1,0,1]=3
3  B7R1.3  C1COCCC1O CM14273 [0,1,0,0,0,0|1,0,0]=2
4  B5R0.2  C(CC#N)CBr CM12994 [0,0,1,0,0,0|1,0,2]=4
5  B5R1.1  C1C=CCN1 CM14480 [0,0,0,0,1,0|0,0,2]=3
6  B6R1.2  C1C=CCC1O CM14094 [0,1,0,0,1,0|0,0,2]=4
7  B6R1.2  C1COCC1Br CM10289 [0,1,0,0,1,0|1,0,0]=3
8  B8R1.2  C1CC(COC1)C=O CM10247 [0,2,0,0,0,0|1,0,0]=3
9  B8R1.2  C1COC(CN1)C#N CM10343 [0,2,0,0,0,0|1,0,0]=3
10  B8R1.2  C1COCCC1NN CM10459 [0,2,0,0,0,0|1,0,0]=3
11  B8R1.2  C1C[C@H](CNC1)CO CM11436 [0,2,0,0,0,0|0,0,0]=2
12  B8R1.2  CNC1CCOCC1 CM10513 [0,2,0,0,0,0|1,0,0]=3
13  B8R1.72  C1CS(=O)(=O)CCN1 CM13978 [0,2,0,0,0,0|1,0,0]=3
14  B8R1.72  C1CS(=O)(=O)CCN1 CM13979 [0,2,0,0,0,0|1,0,0]=3
15  B6R1.3  C1CC1CC#N CM13687 [0,0,1,1,0,0|0,0,2]=4
16  B6R1.3  C1CC1CCO CM13498 [0,0,1,1,0,0|1,0,0]=3
17  B6R1.6  C1C(CN1)C#N CM14240 [0,0,1,1,0,0|1,0,1]=4
18  B6R1.6  C1C(CO1)CN CM14243 [0,0,1,1,0,0|1,0,0]=3
19  B6R1.6  C1C(CO1)CO CM14247 [0,0,1,1,0,0|2,0,0]=4
20  B6R1.6  C1CC(C1)CBr CM14105 [0,0,1,1,0,0|1,0,0]=3