0  B13R0.54  CCCCCCCCCCCC(=O)O M18014 [0,0,0,0,0,0|0,0,0]=0
1  B13R0.54  CCCCCCCCCCCC(C)=O M28719 [0,0,0,0,0,0|1,0,0]=1
2  B13R0.54  CCCCCC\C=C/CCCC(=O)O M21240 [0,0,0,0,0,0|0,0,2]=2
3  B13R0.54  NCCCCCCCCCCC(=O)O M26872 [0,0,0,0,0,0|1,0,0]=1
4  B13R0.54  O=C(O)COCCOCCOCCO M27009 [0,0,0,0,0,0|4,0,0]=4
5  B12R0.5  CCCCCCCCCCCCC M29326 [1,0,0,0,0,0|1,0,1]=3
6  B12R0.5  CCCCCCCCCCCCO M28730 [1,0,0,0,0,0|0,0,1]=2
7  B12R0.234  C=CCCCCCCCCC(=O)O M10437 [1,0,0,0,0,0|0,0,2]=3
8  B12R0.234  C=CCCCCCCCCC(=O)O M15023 [1,0,0,0,0,0|0,0,2]=3
9  B12R0.234  CCCCCCCCCCC(=O)O M20011 [1,0,0,0,0,0|0,0,0]=1
10  B12R0.234  CCCCCCCC\C=C\C(=O)O M27109 [1,0,0,0,0,0|0,0,2]=3
11  B12R0.234  O=C(O)CCCCCCCCCO M18111 [1,0,0,0,0,0|1,0,0]=2
12  B12R0.234  O=C(O)\C=C\CCCCCCCO M18005 [1,0,0,0,0,0|1,0,2]=4
13  B14R0.68  O=C(O)CCCCCCCCCC(=O)O M20255 [0,1,0,0,0,0|1,0,1]=3
14  B14R0.337  CCCCCCCCCCCC(=O)OC M29393 [0,1,0,0,0,0|0,0,0]=1
15  B14R0.337  COC(=O)CCCCCCCCCCBr M26930 [0,1,0,0,0,0|1,0,0]=2
16  B14R0.394  CCCCCCCCCCCCC(=O)O M20012 [0,1,0,0,0,0|0,0,0]=1
17  B14R0.394  O=C(O)CCCCCCCCCCCO M19613 [0,1,0,0,0,0|0,0,0]=1
18  B14R0.394  O=C(O)CCOCCOCCOCCBr M24782 [0,1,0,0,0,0|3,0,0]=4
19  B11R0.3  C=CCCCCCCCCCO M27520 [2,0,0,0,0,0|0,0,2]=4
20  B11R0.3  CCCCCCCCCCCO M20876 [2,0,0,0,0,0|0,0,0]=2
21  B11R0.148  CCCCCCCCCC(=O)O M18432 [2,0,0,0,0,0|0,0,0]=2
22  B11R0.148  CCCCCCCCCC(=O)[O-] M27380 [2,0,0,0,0,0|0,0,1]=3
23  B11R0.148  CCCCCCCCCC(C)=O M21330 [2,0,0,0,0,0|1,0,0]=3
24  B11R0.148  CCCCCCCCCC(C)O M27522 [2,0,0,0,0,0|1,0,1]=4
25  B11R0.148  CCCCCCCCOC(C)=O M20318 [2,0,0,0,0,0|2,0,0]=4
26  B11R0.148  CCCCCCC\C=C/C(=O)O M29617 [2,0,0,0,0,0|0,0,2]=4
27  B11R0.148  CCCCCCC\C=C\C(=O)O M20740 [2,0,0,0,0,0|0,0,2]=4
28  B13R0.336  C=CCNCCCCCCCCCC M28036 [1,1,0,0,0,0|1,0,0]=3
29  B13R0.179  O=C(O)CCCCCCCCC(=O)O M17820 [1,1,0,0,0,0|1,0,1]=4
30  B15R0.81  CCCCCCCCCCCCC(=O)OC M29397 [0,2,0,0,0,0|0,0,0]=2
31  B15R0.164  C#CCCCCCCCCCCCC(=O)O M26602 [0,2,0,0,0,0|0,0,0]=2
32  B15R0.164  CCCCCCCCCCCCCC(=O)O M18773 [0,2,0,0,0,0|0,0,0]=2
33  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] M17286 [0,2,0,0,0,0|0,0,1]=3
34  B15R0.164  CCCCCCCCCCCCCC(C)=O M29545 [0,2,0,0,0,0|1,0,0]=3
35  B15R0.164  CCCC\C=C/CCCCCCCC(=O)O M28356 [0,2,0,0,0,0|0,0,0]=2
36  B15R0.222  O=C([O-])CCCCCCCCCCC(=O)[O-] M20142 [0,2,0,0,0,0|0,0,2]=4
37  B13R1.27  CCCCCCCC1CCC(=O)O1 M23259 [1,0,0,1,0,0|0,0,0]=2
38  B15R2.1428  CCCCC1OC(=O)C2=CCCCC21 M20476 [0,0,0,2,0,0|0,0,2]=4