0  B9R0.35  CCCC(O)C(=O)OCC 7801AF [0,0,0,0,0,0|1,0,2]=3
1  B8R0.1  C=CCOC(=O)CCC 7766AF [1,0,0,0,0,0|1,0,2]=4
2  B8R0.1  CCC#CC(=O)OCC X3933 [1,0,0,0,0,0|1,0,2]=4
3  B8R0.1  CCCC(=O)OCSC Y1950 [1,0,0,0,0,0|2,0,0]=3
4  B10R0.2  CCCC(=O)CC(=O)CCC 7298AJ [0,0,0,0,0,1|0,0,0]=1
5  B10R0.2  O=C(CCCl)OC(=O)CCCl 0739AP [0,0,0,0,0,1|2,0,0]=3
6  B7R0.3  CCCOC(=O)CCl U589 [2,0,0,0,0,0|2,0,0]=4
7  B7R0.3  CCCOC(=O)CN 3440AL [2,0,0,0,0,0|2,0,0]=4
8  B7R0.3  CC\C=C\C(=O)OC Y2122 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.7  CCCC(=S)OCC R545 [2,0,0,0,0,0|1,1,0]=4
10  B7R0.7  CCCS(=O)CCC 7566AF [2,0,0,0,0,0|1,0,0]=3
11  B7R0.7  CCNC(=O)OCC 7331AF [2,0,0,0,0,0|2,0,0]=4
12  B7R0.7  CCOC(=O)CCN 5625AC [2,0,0,0,0,0|2,0,0]=4
13  B7R0.7  O=C(CCBr)CCBr 6817AA [2,0,0,0,0,0|2,0,0]=4
14  B7R0.7  O=C(CCCl)CCCl R711 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.5  CCCC(=O)C(=O)[O-] 7377AF [2,0,0,0,0,0|1,0,0]=3
16  B7R0.5  CCCC(O)C(C)=O X3438 [2,0,0,0,0,0|0,0,2]=4
17  B9R0.18  CCCOC(=O)OCCC 7800AF [1,1,0,0,0,0|1,0,0]=3
18  B11R0.73  CCCNC(=O)[C@@H](N)[C@@H](C)CC Y2971 [0,2,0,0,0,0|1,0,1]=4
19  B11R0.155  CCOC(=O)C(=O)CCCCCl 6835AE [0,2,0,0,0,0|1,0,0]=3
20  B9R1.50  S=C1CCCCCCN1 Z3084 [1,0,0,1,0,0|1,1,0]=4
21  B9R1.5  O=C1CCCCCC1Br 9448AE [1,0,0,1,0,0|1,0,1]=4
22  B9R1.11  COC(=O)C1=NCCC1 8402AB [1,0,0,1,0,0|2,0,0]=4
23  B11R1.199  CCOC(=O)C1CNCC1=O 5664AB [0,0,0,1,0,1|2,0,0]=4