0  B13R1.27  CCCCCCC[C@H]1CCC(=O)O1 C08571 [1,0,0,0,0,0|0,0,0]=1
1  B13R0.54  CCCCCCCCCCCC(=O)O C02679 [0,0,1,0,0,0|0,0,0]=1
2  B13R0.54  CCCCCCCCCCCC(N)=O C13831 [0,0,1,0,0,0|1,0,0]=2
3  B13R0.54  CCCCCCCCC\C=C/C(=O)O C21202 [0,0,1,0,0,0|0,0,2]=3
4  B13R0.54  NCCCCCCCCCCC(=O)O C19325 [0,0,1,0,0,0|1,0,0]=2
5  B12R0.5  CCCCCCCCCCCC=O C02278 [1,0,1,0,0,0|0,0,0]=2
6  B12R0.5  CCCCCCCCCCCCC C13834 [1,0,1,0,0,0|1,0,1]=4
7  B12R0.5  CCCCCCCCCCCCO C02277 [1,0,1,0,0,0|0,0,1]=3
8  B12R0.234  C=CCCCCCCCCC(=O)O C13910 [1,0,1,0,0,0|0,0,2]=4
9  B12R0.234  CCCCCCCCCCC(=O)O C17715 [1,0,1,0,0,0|0,0,0]=2
10  B12R0.234  O=C(O)CCCCCCCCCO C02774 [1,0,1,0,0,0|1,0,0]=3
11  B12R0.234  O=CCCCCCCCCC(=O)O C02217 [1,0,1,0,0,0|1,0,1]=4
12  B12R0.248  CCCCCCCCCC(=O)NO C12889 [1,0,1,0,0,0|2,0,0]=4
13  B12R0.248  [*]SC(=O)CCCCCCCCC C05755 [1,0,1,0,0,0|2,0,0]=4
14  B14R0.68  CC(C)CCCCCCC\C=C/C(=O)O C18206 [0,1,1,0,0,0|0,0,2]=4
15  B14R0.231  CCCCCC(O)CCCCCC(=O)O C21080 [0,1,1,0,0,0|0,0,0]=2
16  B14R0.337  [*]SC(=O)CCCCCCCCCCC C05223 [0,1,1,0,0,0|0,1,0]=3
17  B14R0.340  CSCCCCCCCCC(=O)C(=O)O C17232 [0,1,1,0,0,0|1,0,1]=4
18  B14R0.340  CSCCCCCCCC[C@@H](N)C(=O)O C17233 [0,1,1,0,0,0|1,0,0]=3
19  B14R0.391  CCCCCCCCCC(=O)CC(=O)O C02367 [0,1,1,0,0,0|0,0,1]=3
20  B14R0.394  CCCCCCCCCCCCC(=O)O C17076 [0,1,1,0,0,0|0,0,0]=2
21  B14R0.394  O=C(O)CCCCCCCCCCCO C08317 [0,1,1,0,0,0|0,0,0]=2