0  B12R0.234  C=CCCCCCCCCC(=O)O C13910 [0,0,0,0,0,0|0,0,4]=4
1  B12R0.234  CCCCCCCCCCC(=O)O C17715 [0,0,0,0,0,0|0,0,2]=2
2  B12R0.234  O=C(O)CCCCCCCCCO C02774 [0,0,0,0,0,0|1,0,2]=3
3  B12R0.234  O=CCCCCCCCCC(=O)O C02217 [0,0,0,0,0,0|1,0,3]=4
4  B11R0.3  CCCCCCCCSCCO C18863 [1,0,0,0,0,0|1,0,2]=4
5  B11R0.3  CSCCCCCCC\C=N\O C17251 [1,0,0,0,0,0|2,0,1]=4
6  B11R0.148  CCCCCCCCCC(=O)O C01571 [1,0,0,0,0,0|0,0,1]=2
7  B11R0.148  CCCCCCCCCC(C)=O C01875 [1,0,0,0,0,0|1,0,1]=3
8  B11R0.148  O=CCCCCCCCC(=O)O C16322 [1,0,0,0,0,0|1,0,2]=4
9  B13R0.54  CCCCCCCCCCCC(=O)O C02679 [0,1,0,0,0,0|0,0,2]=3
10  B13R0.54  CCCCCCCCCCCC(N)=O C13831 [0,1,0,0,0,0|1,0,2]=4
11  B13R0.54  CCCCCCCCC\C=C/C(=O)O C21202 [0,1,0,0,0,0|0,0,0]=1
12  B13R0.54  NCCCCCCCCCCC(=O)O C19325 [0,1,0,0,0,0|0,0,2]=3
13  B13R0.150  CSCCCCCCCC(=O)C(=O)O C17228 [0,1,0,0,0,0|1,0,1]=3
14  B13R0.150  CSCCCCCCC[C@@H](N)C(=O)O C17229 [0,1,0,0,0,0|1,0,2]=4
15  B13R1.27  CCCCCCC[C@H]1CCC(=O)O1 C08571 [0,0,0,1,0,0|0,0,2]=3
16  B13R1.279  O=C1CCCCCCCCCCO1 C13823 [0,0,0,1,0,0|0,0,2]=3
17  B10R0.71  CCCCCCCCCC=O C12307 [2,0,0,0,0,0|0,0,1]=3
18  B10R0.71  CCCCCCCCCCO C01633 [2,0,0,0,0,0|0,0,2]=4
19  B10R0.71  CSCCCCCC\C=N\O C17249 [2,0,0,0,0,0|2,0,0]=4
20  B10R0.4  CCCCCCCCC(=O)O C01601 [2,0,0,0,0,0|0,0,0]=2
21  B12R0.5  CCCCCCCCCCCC=O C02278 [1,1,0,0,0,0|0,0,2]=4
22  B12R0.5  CSCCCCCCCC\C=N\O C17253 [1,1,0,0,0,0|1,0,1]=4
23  B12R0.248  CCCCCCCCCC(=O)NO C12889 [1,1,0,0,0,0|1,0,1]=4
24  B12R0.4  CCCCCCCC(=O)CC(=O)O C20714 [1,1,0,0,0,0|0,0,1]=3
25  B12R0.251  CCCCCCCCC(=O)C(=O)O C13945 [1,1,0,0,0,0|0,0,0]=2
26  B12R0.251  CSCCCCCCC(=O)C(=O)O C17224 [1,1,0,0,0,0|1,0,0]=3
27  B12R0.251  CSCCCCCC[C@H](N)C(=O)O C17225 [1,1,0,0,0,0|1,0,1]=4
28  B14R0.68  CC(C)CCCCCCC\C=C/C(=O)O C18206 [0,2,0,0,0,0|0,0,0]=2
29  B14R0.231  CCCCCC(O)CCCCCC(=O)O C21080 [0,2,0,0,0,0|0,0,2]=4
30  B14R0.337  [*]SC(=O)\C=C\CCCCCCCCC C05758 [0,2,0,0,0,0|0,1,0]=3
31  B14R0.340  CSCCCCCCCCC(=O)C(=O)O C17232 [0,2,0,0,0,0|0,0,1]=3
32  B14R0.340  CSCCCCCCCC[C@@H](N)C(=O)O C17233 [0,2,0,0,0,0|0,0,2]=4
33  B14R0.391  CCCCCCCCCC(=O)CC(=O)O C02367 [0,2,0,0,0,0|0,0,1]=3
34  B14R0.394  CCCCCCCCCCCCC(=O)O C17076 [0,2,0,0,0,0|0,0,2]=4
35  B14R0.394  O=C(O)CCCCCCCCCCCO C08317 [0,2,0,0,0,0|0,0,2]=4
36  B14R1.14  CCCCCCCC1=CC=C(O)C=C1 C14698 [0,1,0,1,0,0|1,0,1]=4
37  B14R2.781  O=C(O)C1CCC2CCCCC2C1 C14113 [0,0,0,2,0,0|0,0,2]=4