0  B9R0.45  C(CCCCF)CCCF LS40669 [0,0,0,0,0,0|2,0,0]=2
1  B9R0.45  C(CCCCF)CCCO LS40661 [0,0,0,0,0,0|1,0,0]=1
2  B8R0.4  C(CCCF)CCCF LS40668 [1,0,0,0,0,0|2,0,0]=3
3  B8R0.4  C(CCCO)CCCF LS40660 [1,0,0,0,0,0|1,0,0]=2
4  B8R0.4  C(CCCO)CCCO LS40221 [1,0,0,0,0,0|1,0,0]=2
5  B10R0.4  B(CCCCCCCC)(O)O LS11160 [0,1,0,0,0,0|1,0,0]=2
6  B10R0.4  C(CCCC(=O)O)CCCBr LS41646 [0,1,0,0,0,0|1,0,1]=3
7  B10R0.71  C(CCCCO)CCCCF LS40662 [0,1,0,0,0,0|0,0,0]=1
8  B10R0.71  C(CCCl)COCCCCCl LS41698 [0,1,0,0,0,0|2,0,0]=3
9  B10R0.71  CCCCCCCC#CCO LS40218 [0,1,0,0,0,0|0,0,1]=2
10  B10R1.17  C1CCOC(C1)OCCBr LS40775 [0,0,0,1,0,0|2,0,0]=3
11  B10R1.17  C1CNCCC1CCCO LS20465 [0,0,0,1,0,0|1,0,0]=2
12  B10R1.17  CCCCN1CCOCC1 LS20030 [0,0,0,1,0,0|3,0,0]=4
13  B10R1.29  CCCCN1CCCC1=O LS40516 [0,0,0,1,0,0|1,0,2]=4
14  B7R0.1  C#CCCCCCO LS40112 [2,0,0,0,0,0|0,0,2]=4
15  B7R0.1  C(CCCF)CCF LS40667 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.1  C(CCCF)CCO LS40659 [2,0,0,0,0,0|1,0,0]=3
17  B7R0.1  C(CCCO)CCN LS40173 [2,0,0,0,0,0|1,0,0]=3
18  B7R0.1  C(CCCS)CCO LS40174 [2,0,0,0,0,0|1,0,0]=3
19  B9R0.2  C(CCCBr)CCC(=O)O LS40309 [1,1,0,0,0,0|1,0,1]=4
20  B11R0.40  CCCCCCCCC(CO)O LS40490 [0,2,0,0,0,0|0,0,0]=2
21  B11R0.159  CCCCCCCCS(=O)(=O)Cl LS40177 [0,2,0,0,0,0|1,0,1]=4
22  B11R0.3  C(CCCCCF)CCCCF LS40670 [0,2,0,0,0,0|1,0,0]=3
23  B11R0.3  C(CCCCCF)CCCCO LS40663 [0,2,0,0,0,0|0,0,0]=2
24  B11R0.3  C(CN)CNCCNCCCN LS40357 [0,2,0,0,0,0|2,0,0]=4
25  B9R1.8  C1CCNC(C1)CCO LS21152 [1,0,0,1,0,0|1,0,0]=3
26  B9R1.8  C1CN(CCN1)CCO LS20284 [1,0,0,1,0,0|2,0,0]=4
27  B9R1.12  CCCCN1CCCC1 LS20142 [1,0,0,1,0,0|1,0,0]=3
28  B9R1.12  CCOCC1CCCO1 LS41243 [1,0,0,1,0,0|1,0,0]=3
29  B11R1.30  CCOC(=O)CC1CCCO1 LS20065 [0,1,0,1,0,0|1,0,1]=4
30  B11R2.20  C1CCC2CCCCC2C1 LS40428 [0,0,0,2,0,0|1,0,0]=3