0  B7R1.1  C1CCC(C1)C#N CM13026 [0,0,0,0,0,0|2,0,1]=3
1  B6R1.2  C1C=CCC1O CM14094 [1,0,0,0,0,0|1,0,2]=4
2  B6R1.2  C1COCC1Br CM10289 [1,0,0,0,0,0|3,0,0]=4
3  B6R1.6  C1C(CN1)C#N CM14240 [0,0,0,0,1,0|2,0,1]=4
4  B6R1.6  C1C(CO1)CN CM14243 [0,0,0,0,1,0|2,0,0]=3
5  B6R1.6  C1C(CO1)CO CM14247 [0,0,0,0,1,0|1,0,0]=2
6  B6R1.6  C1CC(C1)CBr CM14105 [0,0,0,0,1,0|1,0,0]=2
7  B8R1.2  C1CC(COC1)C=O CM10247 [0,0,0,0,0,1|0,0,2]=3
8  B8R1.2  C1COC(CN1)C#N CM10343 [0,0,0,0,0,1|1,0,1]=3
9  B8R1.2  C1COCCC1NN CM10459 [0,0,0,0,0,1|3,0,0]=4
10  B8R1.2  C1C[C@H](CNC1)CO CM11436 [0,0,0,0,0,1|1,0,0]=2
11  B8R1.2  CNC1CCOCC1 CM10513 [0,0,0,0,0,1|3,0,0]=4
12  B5R0.1  CC(CCO)N CM14429 [1,0,1,0,0,0|2,0,0]=4
13  B7R1.2  C1C[C@H](C[C@@H]1N)O CM10407 [1,1,0,0,0,0|1,0,0]=3
14  B7R1.14  C[Si]1(CCCC1)C CM10032 [1,1,0,0,0,0|1,1,0]=4
15  B7R1.18  C1C(CN1)C(=O)O CM14218 [0,1,0,0,1,0|1,0,1]=4
16  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,1,0,0,1,0|0,0,1]=3
17  B9R1.163  C[C@]1(CCCN1)C(=O)O CM14275 [0,2,0,0,0,0|1,0,1]=4
18  B9R1.204  C1CCC(C1)(CO)CO CM10240 [0,2,0,0,0,0|1,0,0]=3
19  B7R1.3  C1COCCC1O CM14273 [0,0,1,1,0,0|2,0,0]=4
20  B9R2.173  C1CCC2(C1)CNC2 CM10461 [0,1,0,1,0,0|2,0,0]=4
21  B5R1.2  C1C(CN1)F CM14271 [1,0,0,0,1,0|2,0,0]=4
22  B5R1.2  C1C(CN1)O CM14096 [1,0,0,0,1,0|1,0,0]=3
23  B5R1.2  C1C(CO1)I CM14229 [1,0,0,0,1,0|2,0,0]=4
24  B5R1.2  C1C(CO1)N CM14221 [1,0,0,0,1,0|2,0,0]=4
25  B5R1.2  C1C(CO1)O CM14219 [1,0,0,0,1,0|1,0,0]=3
26  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,0,1,0|0,0,2]=4
27  B5R1.3  C1CC1CBr CM13343 [0,0,0,0,2,0|1,0,0]=3