0  B10R0.71  C(CCCCO)CCCCF LS40662 [0,0,0,0,0,0|1,0,0]=1
1  B10R0.71  C(CCCl)COCCCCCl LS41698 [0,0,0,0,0,0|3,0,0]=3
2  B10R0.71  CCCCCCCC#CCO LS40218 [0,0,0,0,0,0|0,0,2]=2
3  B9R0.45  C(CCCCF)CCCF LS40669 [1,0,0,0,0,0|2,0,0]=3
4  B9R0.45  C(CCCCF)CCCO LS40661 [1,0,0,0,0,0|1,0,0]=2
5  B11R0.3  C(CCCCCF)CCCCF LS40670 [0,1,0,0,0,0|1,0,0]=2
6  B11R0.3  C(CCCCCF)CCCCO LS40663 [0,1,0,0,0,0|0,0,0]=1
7  B11R0.3  C(CN)CNCCNCCCN LS40357 [0,1,0,0,0,0|3,0,0]=4
8  B11R0.40  CCCCCCCCC(CO)O LS40490 [0,1,0,0,0,0|0,0,0]=1
9  B8R0.4  C(CCCF)CCCF LS40668 [2,0,0,0,0,0|2,0,0]=4
10  B8R0.4  C(CCCO)CCCF LS40660 [2,0,0,0,0,0|1,0,0]=3
11  B8R0.4  C(CCCO)CCCO LS40221 [2,0,0,0,0,0|1,0,0]=3
12  B10R0.4  B(CCCCCCCC)(O)O LS11160 [1,1,0,0,0,0|1,0,0]=3
13  B10R0.4  C(CCCC(=O)O)CCCBr LS41646 [1,1,0,0,0,0|1,0,1]=4
14  B12R0.1  CCOC(=O)CCCCCCCBr LS41594 [0,2,0,0,0,0|1,0,1]=4
15  B12R0.5  C(CCCCCO)CCCCCBr LS40414 [0,2,0,0,0,0|0,0,0]=2
16  B12R0.5  C(CCCCCO)CCCCCS LS41968 [0,2,0,0,0,0|0,0,0]=2
17  B12R0.234  CCCCCCCCCCC(=O)O LS41193 [0,2,0,0,0,0|0,0,0]=2
18  B10R1.17  C1CCOC(C1)OCCBr LS40775 [1,0,0,1,0,0|2,0,0]=4
19  B10R1.17  C1CNCCC1CCCO LS20465 [1,0,0,1,0,0|1,0,0]=3
20  B10R1.17  CCCCN1CCOCC1 LS20030 [1,0,0,1,0,0|2,0,0]=4
21  B12R2.4370  C1CCC2(CC1)CCNCC2 LS40074 [0,0,0,2,0,0|2,0,0]=4
22  B12R2.4370  C1CCC2(CC1)CCNCC2 LS40312 [0,0,0,2,0,0|2,0,0]=4