0  B12R0.5  CCCCCCCCCCCC=O C02278 [0,0,0,0,0,0|0,0,0]=0
1  B12R0.5  CCCCCCCCCCCCC C13834 [0,0,0,0,0,0|1,0,1]=2
2  B12R0.5  CCCCCCCCCCCCO C02277 [0,0,0,0,0,0|0,0,2]=2
3  B12R0.5  CSCCCCCCCC\C=N\O C17253 [0,0,0,0,0,0|2,0,2]=4
4  B11R0.3  CCCCCCCCCCCC C08374 [1,0,0,0,0,0|0,0,1]=2
5  B11R0.3  CCCCCCCCSCCO C18863 [1,0,0,0,0,0|1,0,1]=3
6  B13R0.2  CCCCCCCCCC(=O)CC=O C16947 [0,1,0,0,0,0|0,0,1]=2
7  B13R0.54  CCCCCCCCCCCC(=O)O C02679 [0,1,0,0,0,0|0,0,0]=1
8  B13R0.54  CCCCCCCCCCCC(N)=O C13831 [0,1,0,0,0,0|0,0,0]=1
9  B13R0.54  CCCCCCCCC\C=C/C(=O)O C21202 [0,1,0,0,0,0|0,0,2]=3
10  B13R0.54  NCCCCCCCCCCC(=O)O C19325 [0,1,0,0,0,0|1,0,0]=2
11  B13R0.336  CCCCCCCCCCCCCO C14509 [0,1,0,0,0,0|0,0,2]=3
12  B13R1.279  O=C1CCCCCCCCCCO1 C13823 [0,0,0,1,0,0|1,0,0]=2
13  B10R0.71  CCCCCCCCCC=O C12307 [2,0,0,0,0,0|0,0,0]=2
14  B10R0.71  CCCCCCCCCCO C01633 [2,0,0,0,0,0|0,0,1]=3
15  B12R0.234  C=CCCCCCCCCC(=O)O C13910 [1,1,0,0,0,0|0,0,2]=4
16  B12R0.234  CCCCCCCCCCC(=O)O C17715 [1,1,0,0,0,0|0,0,0]=2
17  B12R0.234  O=C(O)CCCCCCCCCO C02774 [1,1,0,0,0,0|1,0,0]=3
18  B12R0.234  O=CCCCCCCCCC(=O)O C02217 [1,1,0,0,0,0|1,0,1]=4
19  B14R0.391  CCCCCCCCCC(=O)CC(=O)O C02367 [0,2,0,0,0,0|0,0,1]=3
20  B14R0.68  CC(C)CCCCCCC\C=C/C(=O)O C18206 [0,2,0,0,0,0|0,0,2]=4
21  B14R0.231  CCCCCC(O)CCCCCC(=O)O C21080 [0,2,0,0,0,0|0,0,0]=2
22  B14R0.337  [*]SC(=O)CCCCCCCCCCC C05223 [0,2,0,0,0,0|0,0,0]=2
23  B14R0.337  [*]SC(=O)CCC\C=C/CCCCCC C20794 [0,2,0,0,0,0|0,0,2]=4
24  B14R0.337  [*]SC(=O)\C=C\CCCCCCCCC C05758 [0,2,0,0,0,0|0,0,2]=4
25  B14R0.340  CSCCCCCCCCC(=O)C(=O)O C17232 [0,2,0,0,0,0|1,0,1]=4
26  B14R0.340  CSCCCCCCCC[C@@H](N)C(=O)O C17233 [0,2,0,0,0,0|1,0,0]=3
27  B14R0.394  CCCCCCCCCCCCC(=O)O C17076 [0,2,0,0,0,0|0,0,0]=2
28  B14R0.394  O=C(O)CCCCCCCCCCCO C08317 [0,2,0,0,0,0|0,0,0]=2
29  B14R0.392  CCCCCCCCCCCCCCC C08388 [0,2,0,0,0,0|1,0,1]=4