0  B8R0.6  CCCSCC(=O)OC CM13897 [0,1,0,0,0,0|1,0,0]=2
1  B8R1.1  C1[C@@H](COC1=O)CF CM14414 [0,0,0,1,0,0|3,0,0]=4
2  B8R1.72  C1CS(=O)(=O)CCN1 CM13978 [0,0,0,1,0,0|2,0,1]=4
3  B8R1.72  C1CS(=O)(=O)CCN1 CM13979 [0,0,0,1,0,0|2,0,1]=4
4  B5R0.1  C(C#N)C(=O)O CM10060 [2,0,0,0,0,0|1,0,1]=4
5  B5R0.1  CC#CC(=O)O CM10024 [2,0,0,0,0,0|0,0,2]=4
6  B7R0.6  C(C[N+](=O)[O-])C(=O)O CM10288 [1,1,0,0,0,0|2,0,0]=4
7  B7R0.8  C(CN)CP(=O)(O)O CM10052 [1,1,0,0,0,0|2,0,0]=4
8  B9R0.34  COCC(=O)CC(=O)OC CM13982 [0,2,0,0,0,0|1,0,1]=4
9  B7R1.3  C1COC(=O)CN1 CM10412 [1,0,0,1,0,0|1,0,0]=3
10  B7R1.3  C1COCCC1=O CM14255 [1,0,0,1,0,0|2,0,0]=4
11  B7R1.18  C1C(CN1)C(=O)N CM14241 [1,0,0,1,0,0|2,0,0]=4
12  B7R1.18  C1C(CN1)C(=O)N CM14242 [1,0,0,1,0,0|2,0,0]=4
13  B7R1.18  C1C(CN1)C(=O)O CM14218 [1,0,0,1,0,0|1,0,0]=3
14  B7R1.18  C1CC(C1)C(=O)O CM11089 [1,0,0,1,0,0|0,0,0]=2
15  B7R1.20  C1CC1CC(=O)O CM13686 [1,0,0,1,0,0|0,0,0]=2
16  B7R1.1  C1CCC(C1)C#N CM13026 [1,0,0,1,0,0|1,0,1]=4
17  B9R1.66  CC1(CCCC(=O)C1)C CM14140 [0,1,0,1,0,0|1,0,0]=3
18  B9R1.163  C[C@]1(CCCN1)C(=O)O CM14275 [0,1,0,1,0,0|1,0,0]=3