0  B5R0.2  C(CC#N)CBr CM12994 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.2  COCC#N CM13130 [1,0,0,0,0,0|1,0,2]=4
2  B6R0.4  CC(=O)C=COC CM11079 [0,1,0,0,0,0|2,0,1]=4
3  B6R1.2  C1C=CCC1O CM14094 [0,0,0,1,0,0|3,0,0]=4
4  B6R1.2  C1COCC1Br CM10289 [0,0,0,1,0,0|2,0,1]=4
5  B6R1.3  C1CC1CC#N CM13687 [0,0,0,1,0,0|2,0,1]=4
6  B6R1.3  C1CC1CCO CM13498 [0,0,0,1,0,0|1,0,2]=4
7  B6R1.6  C1CC(C1)CBr CM14105 [0,0,0,1,0,0|2,0,1]=4
8  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,2]=4
9  B5R0.1  C(C#N)C(=O)O CM10060 [1,1,0,0,0,0|1,0,1]=4
10  B5R0.1  CC#CC(=O)O CM10024 [1,1,0,0,0,0|0,0,2]=4
11  B5R0.1  CC(CCO)N CM14429 [1,1,0,0,0,0|0,0,2]=4
12  B7R0.4  CC(=O)OC=CCBr CM11056 [0,2,0,0,0,0|0,0,2]=4
13  B7R0.6  CC(C)CO[N+](=O)[O-] CM13895 [0,2,0,0,0,0|1,0,0]=3
14  B5R1.1  C1C=CCN1 CM14480 [1,0,0,1,0,0|2,0,0]=4
15  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|1,0,0]=3
16  B5R1.2  C1C(CO1)I CM14229 [1,0,0,1,0,0|1,0,1]=4
17  B5R1.2  C1C(CO1)N CM14221 [1,0,0,1,0,0|1,0,1]=4
18  B5R1.2  C1C(CO1)O CM14219 [1,0,0,1,0,0|1,0,1]=4
19  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,1,0,0|0,0,0]=2
20  B5R1.3  C1CC1CBr CM13343 [1,0,0,1,0,0|1,0,1]=4
21  B7R1.2  C1=CC(=O)OC1O CM11011 [0,1,0,1,0,0|0,0,2]=4
22  B7R1.3  C1COC(=O)CN1 CM10412 [0,1,0,1,0,0|0,0,0]=2
23  B7R1.3  C1COCCC1=O CM14255 [0,1,0,1,0,0|1,0,0]=3
24  B7R1.3  C1COCCC1O CM14273 [0,1,0,1,0,0|1,0,1]=4
25  B7R1.18  C1C(CN1)C(=O)N CM14241 [0,1,0,1,0,0|2,0,0]=4
26  B7R1.18  C1C(CN1)C(=O)N CM14242 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.18  C1C(CN1)C(=O)O CM14218 [0,1,0,1,0,0|2,0,0]=4
28  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,1,0,1,0,0|1,0,0]=3
29  B7R1.20  C1CC1CC(=O)O CM13686 [0,1,0,1,0,0|1,0,0]=3