0  B19R0.182  CCCCCCCCCCCCCCCC(=O)OCC 43079 [0,0,0,0,0,0|0,0,0]=0
1  B18R0.171  C=CC(=O)OCCCCCCCCCCCCCC D92591 [1,0,0,0,0,0|1,0,2]=4
2  B18R0.171  CCCCCCCCCCCCCCCC(=O)NN D91886 [1,0,0,0,0,0|2,0,0]=3
3  B18R0.171  CCCCCCCCCCCCCCCC(=O)OC D70331 [1,0,0,0,0,0|0,0,0]=1
4  B18R0.171  COC(=O)CCCCCCCCCCCCCCBr D86910 [1,0,0,0,0,0|1,0,0]=2
5  B18R0.221  CCCCCCCCCCCCCCCCCCC D91667 [1,0,0,0,0,0|1,0,1]=3
6  B18R0.221  CCCCCCCCCCCCCCCCCCCl A10751 [1,0,0,0,0,0|2,0,1]=4
7  B18R0.221  CCCCCCCCCCCCCCCCCCI D91071 [1,0,0,0,0,0|2,0,1]=4
8  B18R0.221  CCCCCCCCCCCCCCCCCCN D70506 [1,0,0,0,0,0|2,0,1]=4
9  B18R0.221  CCCCCCCCCCCCCCCCCCS D70540 [1,0,0,0,0,0|2,0,1]=4
10  B20R0.39  CCCCCCCCCCCCCCCCC(=O)OCC H11957 [0,1,0,0,0,0|0,0,0]=1
11  B20R0.146  CCOC(=O)CCCCCCCCCCCC(=O)OCC 58564 [0,1,0,0,0,0|1,0,1]=3
12  B20R0.32083  CCCCCCCCCCCCCCCC(=O)NCCO S10398 [0,1,0,0,0,0|1,0,0]=2
13  B17R0.117  CCCCCCCCCCCCCCCCCBr D88717 [2,0,0,0,0,0|1,0,1]=4
14  B17R0.117  CCCCCCCCCCCCCCCCCO O11822 [2,0,0,0,0,0|1,0,1]=4
15  B17R0.195  CCCCCCCCCCCCCCC(=O)OC H10934 [2,0,0,0,0,0|0,0,0]=2
16  B17R0.250  CCCCCCCCCCCCCC(=O)OCC AC8510 [2,0,0,0,0,0|0,0,0]=2
17  B17R0.43  CCCCCCCCCCCCCCCC(=O)O AC9381 [2,0,0,0,0,0|0,0,0]=2
18  B17R0.43  CCCCCCCCCCCCCCCC(=O)O D93465 [2,0,0,0,0,0|0,0,0]=2
19  B17R0.43  CCCCCCCCCCCCCCCC(=O)[O-] D91887 [2,0,0,0,0,0|0,0,1]=3
20  B17R0.43  CCCCCCCCCCCCCCCC(N)=O A11794 [2,0,0,0,0,0|1,0,0]=3
21  B17R0.43  CCCCCCCCCCCCCCC[13C](=O)O D78975 [2,0,0,0,0,0|0,0,0]=2
22  B17R0.43  CCCCCCCCCCCCCCOC(C)=O 25251 [2,0,0,0,0,0|1,0,0]=3
23  B17R0.43  CCCCCC\C=C/CCCCCCCC(=O)O D82037 [2,0,0,0,0,0|0,0,2]=4
24  B17R0.43  O=C(O)CCCCCCCCCCCCCCO D90928 [2,0,0,0,0,0|1,0,0]=3
25  B19R0.25  CCOC(=O)CCCCCCCCCCC(=O)OCC D90070 [1,1,0,0,0,0|1,0,1]=4
26  B19R0.148  CCCCCCCCCCCCCCCCC(=O)OC H10839 [1,1,0,0,0,0|0,0,0]=2
27  B19R0.36  CCCCCCCCCCCCCCCCCCCN T70261 [1,1,0,0,0,0|1,0,1]=4
28  B19R0.36  CCCCCCCCCCCCCCCCCCCO H10890 [1,1,0,0,0,0|1,0,1]=4
29  B21R0.2907  C=COC(=O)CCCCCCCCCCCCCCCCC D95414 [0,2,0,0,0,0|0,0,2]=4
30  B21R0.2907  CCCCCCCCCCCCCCCCCC(=O)OCC D92247 [0,2,0,0,0,0|0,0,0]=2
31  B21R0.2907  CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC D91254 [0,2,0,0,0,0|0,0,2]=4
32  B21R0.36773  CCCCCCCCCCCCCCCC(=O)OCC(C)C D91993 [0,2,0,0,0,0|0,0,0]=2