0  B13R0.54  CCCCCCCCCCCC(=O)O T6873 [0,0,0,0,0,0|0,0,0]=0
1  B13R0.54  CCCCCC\C=C/CCCC(=O)O T8240 [0,0,0,0,0,0|0,0,2]=2
2  B12R0.234  C=CCCCCCCCCC(=O)O T0306 [1,0,0,0,0,0|0,0,2]=3
3  B12R0.234  C=CCCCCCCCCC(=O)[O-] T0744 [1,0,0,0,0,0|0,0,3]=4
4  B12R0.234  CCCCCCCCCCC(=O)O T3948 [1,0,0,0,0,0|0,0,0]=1
5  B12R0.234  CCCCCCCC\C=C\C(=O)O T19589 [1,0,0,0,0,0|0,0,2]=3
6  B12R0.234  O=C(O)CCCCCCCCCO TMO2685 [1,0,0,0,0,0|1,0,0]=2
7  B12R0.234  O=C(O)\C=C\CCCCCCCO T3250 [1,0,0,0,0,0|1,0,2]=4
8  B14R0.68  O=C(O)CCCCCCCCCC(=O)O T5565 [0,1,0,0,0,0|1,0,1]=3
9  B14R0.394  CCCCCCCCCCCCC(=O)O T3950 [0,1,0,0,0,0|0,0,0]=1
10  B14R0.394  O=C(O)CCCCCCCCCCCO T4879 [0,1,0,0,0,0|0,0,0]=1
11  B14R0.394  O=C(O)CCOCCOCCOCCO T20849 [0,1,0,0,0,0|3,0,0]=4
12  B11R0.3  CCCCCCCCCCCO T7480 [2,0,0,0,0,0|0,0,0]=2
13  B11R0.148  CCCCCCCCCC(=O)O T3379 [2,0,0,0,0,0|0,0,0]=2
14  B11R0.148  CCCCCCCCCC(=O)[O-] T21240 [2,0,0,0,0,0|0,0,1]=3
15  B11R0.148  CCCCCCCCCC(C)=O T8017 [2,0,0,0,0,0|1,0,0]=3
16  B11R0.148  CCCCCCCCOC(C)=O T5667 [2,0,0,0,0,0|2,0,0]=4
17  B11R0.148  CCCCCCC\C=C/C(=O)O TQ0251 [2,0,0,0,0,0|0,0,2]=4
18  B11R0.148  CCCCCCC\C=C\C(=O)O T7332 [2,0,0,0,0,0|0,0,2]=4
19  B13R0.179  O=C(O)CCCCCCCCC(=O)O T3732 [1,1,0,0,0,0|1,0,1]=4
20  B13R0.280  CCCCCCCCCCP(=O)(O)O T21191 [1,1,0,0,0,0|1,0,0]=3
21  B15R0.164  CCCCCCCCCCCCCC(=O)O T3949 [0,2,0,0,0,0|0,0,0]=2
22  B15R0.222  O=C(O)CCCCCCCCCCC(=O)O T22312 [0,2,0,0,0,0|0,0,1]=3
23  B15R0.222  O=C([O-])CCCCCCCCCCC(=O)[O-] T5258 [0,2,0,0,0,0|0,0,2]=4
24  B15R2.1428  CCCCC1OC(=O)C2=CCCCC21 T5763 [0,0,0,2,0,0|0,0,2]=4
25  B15R2.1428  CCCC[C@@H]1OC(=O)C2=CCCC[C@H]21 TN1979 [0,0,0,2,0,0|0,0,2]=4