0  B12R0.5  CCCCCCCCCCCCC M29326 [0,0,0,0,0,0|1,0,0]=1
1  B12R0.5  CCCCCCCCCCCCO M28730 [0,0,0,0,0,0|0,0,0]=0
2  B12R0.5  NCCCNCCCNCCCN M21100 [0,0,0,0,0,0|4,0,0]=4
3  B11R0.3  C=CCCCCCCCCCO M27520 [1,0,0,0,0,0|0,0,2]=3
4  B11R0.3  CCCCCCCCCCCO M20876 [1,0,0,0,0,0|0,0,0]=1
5  B13R0.54  CCCCCCCCCCCC(=O)O M18014 [0,1,0,0,0,0|0,0,1]=2
6  B13R0.54  CCCCCCCCCCCC(C)=O M28719 [0,1,0,0,0,0|0,0,2]=3
7  B13R0.54  CCCCCC\C=C/CCCC(=O)O M21240 [0,1,0,0,0,0|0,0,3]=4
8  B13R0.54  NCCCCCCCCCCC(=O)O M26872 [0,1,0,0,0,0|1,0,1]=3
9  B13R0.147  CCCCCCCCCCC(=O)OC M28722 [0,1,0,0,0,0|2,0,1]=4
10  B13R0.336  C=CCNCCCCCCCCCC M28036 [0,1,0,0,0,0|1,0,1]=3
11  B13R0.336  NCCCCNCCCNCCCN M28523 [0,1,0,0,0,0|3,0,0]=4
12  B13R0.336  NCCCNCCCCNCCCN M15730 [0,1,0,0,0,0|3,0,0]=4
13  B13R0.336  NCCCNCCCCNCCCN M18400 [0,1,0,0,0,0|3,0,0]=4
14  B13R0.338  CCCCCCOC(=O)CCCCC M20280 [0,1,0,0,0,0|2,0,1]=4
15  B10R0.71  CCCCCCCCCC=O M21351 [2,0,0,0,0,0|0,0,2]=4
16  B12R0.234  CCCCCCCCCCC(=O)O M20011 [1,1,0,0,0,0|0,0,1]=3
17  B12R0.234  O=C(O)CCCCCCCCCO M18111 [1,1,0,0,0,0|1,0,1]=4
18  B14R0.337  CCCCCCCCCCCC(=O)OC M29393 [0,2,0,0,0,0|0,0,1]=3
19  B14R0.337  COC(=O)CCCCCCCCCCBr M26930 [0,2,0,0,0,0|1,0,1]=4
20  B14R0.394  CCCCCCCCCCCCC(=O)O M20012 [0,2,0,0,0,0|0,0,0]=2
21  B14R0.394  O=C(O)CCCCCCCCCCCO M19613 [0,2,0,0,0,0|0,0,1]=3
22  B14R0.140  CCCCCCCC(=O)OCC(O)CO M27998 [0,2,0,0,0,0|1,0,1]=4
23  B14R0.140  CCCCCCCC(=O)OCC(O)CO M28724 [0,2,0,0,0,0|1,0,1]=4
24  B14R0.392  CCCCCCCCCCCCCCC M24631 [0,2,0,0,0,0|1,0,0]=3
25  B14R0.392  CCCCCCCCCCCCCCO M29413 [0,2,0,0,0,0|0,0,0]=2