0  B15R0.164  CCCCCCCCCCCCCC(=O)O DB08231 [0,0,0,0,0,0|1,0,0]=1
1  B14R0.394  CCCCCCCCCCCCC(=O)O DB02448 [1,0,0,0,0,0|1,0,0]=2
2  B14R0.394  O=C(O)CCCCCCCCCCCBr DB02405 [1,0,0,0,0,0|2,0,0]=3
3  B14R0.394  O=C(O)CCCCCCCCCCCO DB03704 [1,0,0,0,0,0|2,0,0]=3
4  B16R0.302  [C@@H](O)(CCCCCCCCCCC)CC(=O)O DB02767 [0,1,0,0,0,0|1,0,0]=2
5  B16R0.1188  CCCCCCCCCCCCOS(=O)(=O)O DB03967 [0,1,0,0,0,0|3,0,0]=4
6  B13R0.336  OCCCCCCCCCCCCBr DB02619 [2,0,0,0,0,0|1,0,1]=4
7  B13R0.54  CCCCCCCCCCCC(=O)O DB03017 [2,0,0,0,0,0|1,0,0]=3
8  B13R0.54  CCCCCCCCCCOC(=O)S DB08684 [2,0,0,0,0,0|2,0,0]=4
9  B13R0.54  O=C(O)CCCCCCCCCCS DB08171 [2,0,0,0,0,0|2,0,0]=4
10  B15R0.84  [C@H](N)(CSCCCCCCCCC)C(=O)O DB07849 [1,1,0,0,0,0|2,0,0]=4
11  B15R0.252  CCCCCCCCCCCCS(=O)(=O)[O-] DB07681 [1,1,0,0,0,0|2,0,0]=4
12  B15R0.252  CCCCCCCCCCCC[N+](C)(C)C DB02779 [1,1,0,0,0,0|2,0,0]=4
13  B15R0.252  CCCCCCCCCCCC[N+](C)(C)[O-] DB04147 [1,1,0,0,0,0|1,0,1]=4
14  B17R0.43  CCCCCCCCCCCCCCCC(=O)O DB03796 [0,2,0,0,0,0|1,0,0]=3
15  B17R0.43  CCCCCC\C=C/CCCCCCCC(=O)O DB04257 [0,2,0,0,0,0|1,0,0]=3
16  B17R0.116  CCCCCCCCCCCCC(=O)CC(=O)O DB04039 [0,2,0,0,0,0|1,0,0]=3
17  B15R1.253  [C@H]1(N)CCCCCCCCCCNC1=O DB08476 [1,0,0,1,0,0|2,0,0]=4