0  B18R0.221  CCCCCCCCCCCCCCCCCC#N D92228 [0,0,0,0,0,0|1,0,3]=4
1  B18R0.221  CCCCCCCCCCCCCCCCCCN D91799 [0,0,0,0,0,0|1,0,2]=3
2  B18R0.221  CCCCCCCCCSCCCCCCCCC D91688 [0,0,0,0,0,0|2,0,1]=3
3  B18R0.221  CCCCCCCC\C=C\CCCCCCCCCl D91792 [0,0,0,0,0,0|1,0,0]=1
4  B17R0.117  CCCCCCCCCCCCCCCCC#N D90904 [1,0,0,0,0,0|1,0,2]=4
5  B19R0.36  CCCCCCCCCCCCCCCCCCNC D91402 [0,1,0,0,0,0|1,0,2]=4
6  B19R0.149  CCCCC\C=C\C\C=C\CCCCCCCC(=O)O D75304 [0,1,0,0,0,0|0,0,3]=4
7  B19R1.275  CCCCCCCCCCCCCC1CCCCC1 D92391 [0,0,0,1,0,0|1,0,2]=4
8  B16R0.303  C=CCCCCCCCCCCCCCCC D90849 [2,0,0,0,0,0|1,0,1]=4
9  B16R0.303  CCCCCCCCCCCCCCCCN D78357 [2,0,0,0,0,0|1,0,0]=3
10  B16R0.303  CCCCCCC\C=C\CCCCCCCC D84389 [2,0,0,0,0,0|0,0,0]=2
11  B20R0.3034  CCCCCCCC\C=C\CCCCCCCC(=O)OC D91837 [0,2,0,0,0,0|0,0,1]=3
12  B20R0.90  CCCCCC[C@H](O)C\C=C/CCCCCCCC(=O)[O-] A11440 [0,2,0,0,0,0|0,0,2]=4