0  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] F20759 [0,0,0,0,0,0|0,0,1]=1
1  B19R0.149  CCCCCCCC\C=C\CCCCCCCC(=O)O D78470 [0,0,0,0,0,0|0,0,2]=2
2  B19R0.149  CCCCCCCC\C=C\CCCCCCCC(N)=O D83824 [0,0,0,0,0,0|1,0,2]=3
3  B19R0.149  CCCC\C=C/CCCCCCCCCCOC(C)=O D94933 [0,0,0,0,0,0|2,0,2]=4
4  B18R0.176  CCCCCCCCCCCCCCCCC(=O)[O-] S10579 [1,0,0,0,0,0|0,0,1]=2
5  B18R0.176  CCCCCCCCCCCCCCCCC(N)=O D81341 [1,0,0,0,0,0|1,0,0]=2
6  B18R0.176  O=C(O)CCCCCCCCCCCCCCCO F13220 [1,0,0,0,0,0|1,0,0]=2
7  B18R0.221  C=CCCCCCCCCCCCCCCCCC T71983 [1,0,0,0,0,0|1,0,0]=2
8  B18R0.221  CCCCCCCC\C=C/CCCCCCCC=O A11374 [1,0,0,0,0,0|0,0,2]=3
9  B20R0.68  CCCCCCCCC(=O)CCCCCCCCC(=O)O A11138 [0,1,0,0,0,0|0,0,1]=2
10  B20R0.68  CCCCCCCC[C@H](O)CCCCCCCCC(=O)O A10837 [0,1,0,0,0,0|0,0,0]=1
11  B20R0.2931  CCCCCCCCCCCCCCC[C@H](O)CC(=O)O A11700 [0,1,0,0,0,0|0,0,0]=1
12  B20R0.3034  CCCCCCCCCCCCCCCCNC(=O)CBr 24586 [0,1,0,0,0,0|2,0,0]=3
13  B20R0.3034  CCCCCCCCCCCCCCCCOC(=O)CC D93028 [0,1,0,0,0,0|2,0,0]=3
14  B20R0.3034  CCCCCC\C=C/CCCCCCCCCC(=O)OC A12210 [0,1,0,0,0,0|0,0,2]=3
15  B20R0.3037  CCCCCCCCCCCCCCCC[C@H](O)C(=O)O C72323 [0,1,0,0,0,0|0,0,0]=1
16  B20R0.10422  CCCCCCCCCCCC(=O)CCCCCC(=O)O A10736 [0,1,0,0,0,0|0,0,1]=2
17  B20R0.31940  CCCCCCCCCCCCCCCCCCC(N)=O A11163 [0,1,0,0,0,0|1,0,0]=2
18  B20R0.35227  O=C(O)CCCCCCCCCCCCCCCC(=O)O T72138 [0,1,0,0,0,0|1,0,1]=3
19  B20R1.3309  CCCCCCCCCCCCCC[C@H]1CCC(=O)O1 C11123 [0,0,0,1,0,0|0,0,0]=1
20  B17R0.43  NCCCCCCCCCCCCCCC(=O)O AC4715 [2,0,0,0,0,0|1,0,0]=3
21  B17R0.43  O=C(O)CCCCCCCCCCCCCCBr C75652 [2,0,0,0,0,0|1,0,0]=3
22  B17R0.117  BrCCCCCCCCCCCCCCCCBr 29512 [2,0,0,0,0,0|2,0,0]=4
23  B17R0.117  CCCCCCCCCCCCCCCCCN T70904 [2,0,0,0,0,0|1,0,0]=3
24  B17R0.117  CCCCCCCCCCCCCCOCCO A12270 [2,0,0,0,0,0|1,0,0]=3
25  B17R0.117  OCCCCCCCCCCCCCCCCBr 66902 [2,0,0,0,0,0|1,0,0]=3
26  B19R0.36  OCCCCCCCCCCCCCCCCCCO O12034 [1,1,0,0,0,0|0,0,1]=3
27  B21R0.10777  CCCCCCCCC(=O)CCCCCCCCC(=O)OC D93001 [0,2,0,0,0,0|0,0,1]=3
28  B21R0.2929  CCCCCCCCCC(=O)CCCCCCCC(=O)OC D93051 [0,2,0,0,0,0|0,0,1]=3
29  B21R0.24664  COC(=O)CCCCCCCCCCCCCCC(=O)OC T70488 [0,2,0,0,0,0|1,0,1]=4
30  B21R0.36769  CCCCCCCCCCCCCCCCCC(=O)N(C)C D93427 [0,2,0,0,0,0|1,0,0]=3
31  B21R0.81  CCCCCCCCCCCCCCCCCCCC(N)=O A12587 [0,2,0,0,0,0|1,0,0]=3
32  B21R0.81  CCCCCCCCCCCCCCCCCCNC(C)=O D93025 [0,2,0,0,0,0|1,0,0]=3
33  B21R0.81  CCCCCCCCCCCCCCCCCCNC(N)=O T72081 [0,2,0,0,0,0|1,0,0]=3
34  B21R0.81  O=C(O)CCCCCCCCCCCCCCCCCCBr A10395 [0,2,0,0,0,0|0,0,0]=2