0  B19R0.149  C#CCCCCCCCCCCCCCCCC(=O)O 1269AH [0,0,0,0,0,0|0,0,2]=2
1  B19R0.149  CCCCCC#CCC#CCCCCCCCC(=O)O 1538AH [0,0,0,0,0,0|0,0,4]=4
2  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] 0143AA [0,0,0,0,0,0|0,0,1]=1
3  B19R0.149  CCCCCCCCCCC\C=C/CCCCC(=O)O 8778AL [0,0,0,0,0,0|0,0,2]=2
4  B19R0.149  CCCCCC\C=C\CCCCCCCCCC(=O)O 0706AC [0,0,0,0,0,0|0,0,2]=2
5  B19R0.149  CCCC\C=C/CCCCCCCCCCOC(C)=O 4044AB [0,0,0,0,0,0|2,0,2]=4
6  B18R0.176  CCCCCC\C=C/CCCCCCCCC(=O)O 0319AQ [1,0,0,0,0,0|0,0,2]=3
7  B18R0.221  C=CCCCCCCCCCCCCCCCCBr 4733AL [1,0,0,0,0,0|2,0,0]=3
8  B18R0.221  C=CCCCCCCCCCCCCCCCCC 4931AL [1,0,0,0,0,0|1,0,0]=2
9  B18R0.221  CCCCCCCC\C=C\CCCCCCCCO 9237AL [1,0,0,0,0,0|0,0,3]=4
10  B20R0.3037  CCCCCCCCCCCCCCCCC(C)C(=O)O 1069AQ [0,1,0,0,0,0|0,0,0]=1
11  B20R0.31940  CCCCCCCCCCCCCCC#CC#CC(=O)O 5336AL [0,1,0,0,0,0|0,0,3]=4
12  B20R0.31940  CCCCCCCCCCCCCCCCCOC(C)=O 6989AL [0,1,0,0,0,0|1,0,0]=2
13  B20R0.32509  CCCCCCCCCCCCCCCCC[N+](C)(C)C 8016AL [0,1,0,0,0,0|3,0,0]=4
14  B17R0.43  CCCCCCCCCCCCC\C=C\C(=O)O 5640AL [2,0,0,0,0,0|0,0,2]=4
15  B17R0.117  CCCCCCCCCCCCCCCCCBr 6417AF [2,0,0,0,0,0|1,0,0]=3
16  B19R0.148  COC(=O)CCCCCCCCCCCCCCCBr 1213AQ [1,1,0,0,0,0|1,0,0]=3
17  B19R0.3102  CCCCCCCCCCCCCCCCP(=O)(O)O 8576AL [1,1,0,0,0,0|1,0,0]=3
18  B21R0.24664  COC(=O)CCCCCCCCCCCCCCC(=O)OC 6481AF [0,2,0,0,0,0|1,0,1]=4
19  B21R0.81  CCCCCCCCCCCCCCCCCCNC(N)=O 6530AF [0,2,0,0,0,0|1,0,0]=3
20  B21R0.36399  CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] 4934AL [0,2,0,0,0,0|1,0,1]=4
21  B21R1.17805  CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O 9626AJ [0,1,0,1,0,0|0,0,0]=2
22  B21R1.988145  CCCCCCC1CC1CCCCCCCCCC(=O)O 1352AH [0,1,0,1,0,0|0,0,0]=2
23  B21R1.17781  CCCCCCCCCCCCCCCCCCC1CO1 4462AL [0,1,0,1,0,0|1,0,1]=4