0  B19R0.149  CCCCCC#CCC#CCCCCCCCC(=O)O 1538AH [0,0,0,0,0,0|0,0,4]=4
1  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] 0143AA [0,0,0,0,0,0|0,0,1]=1
2  B19R0.149  CCCCCCCCCCC\C=C/CCCCC(=O)O 8778AL [0,0,0,0,0,0|0,0,2]=2
3  B19R0.149  CCCCCC\C=C/CCCCCCCCCC(=O)O V8072 [0,0,0,0,0,0|0,0,2]=2
4  B19R0.149  CCCCCC\C=C\C=C/CCCCCCCC(=O)O 1535AH [0,0,0,0,0,0|0,0,4]=4
5  B19R0.149  CCCC\C=C/CCCCCCCCCCOC(C)=O 4044AB [0,0,0,0,0,0|2,0,2]=4
6  B18R0.221  C=CCCCCCCCCCCCCCCCCBr 4733AL [1,0,0,0,0,0|2,0,0]=3
7  B18R0.221  C=CCCCCCCCCCCCCCCCCC 4931AL [1,0,0,0,0,0|1,0,0]=2
8  B18R0.221  CCCCCCCC\C=C\CCCCCCCCO 9237AL [1,0,0,0,0,0|0,0,3]=4
9  B20R0.3034  CCCCCCCCCCC\C=C\CCCCC(=O)OC 8779AL [0,1,0,0,0,0|0,0,2]=3
10  B20R0.3034  CCCCCC\C=C/CCCCCCCCCC(=O)OC 7417AL [0,1,0,0,0,0|0,0,2]=3
11  B20R0.3037  CCCCCCCCCCCCCCCCC(Br)C(=O)O 6485AF [0,1,0,0,0,0|0,0,0]=1
12  B20R0.31940  CCCCCCCCCCCCCCC#CC#CC(=O)O 5336AL [0,1,0,0,0,0|0,0,3]=4
13  B20R0.31940  CCCCCCCCCCCCCCCCCCB(O)O V5983 [0,1,0,0,0,0|1,0,1]=3
14  B17R0.43  O=C(O)CCCCCCCCCCCCCCBr 8266AB [2,0,0,0,0,0|1,0,0]=3
15  B17R0.117  CCCCCCCCCCCCCCCCC=O 8012AL [2,0,0,0,0,0|0,0,0]=2
16  B17R0.117  CCCCCCCCCCCCCCCCCN 4751AL [2,0,0,0,0,0|1,0,0]=3
17  B17R0.117  OCCCCCCCCCCCCCCCCS 9521AC [2,0,0,0,0,0|1,0,0]=3
18  B19R0.157  CCCCCCCCCCCCCC(=O)NCC(=O)O 7449AH [1,1,0,0,0,0|1,0,1]=4
19  B19R0.3102  CCCCCCCCCCCCCCCCP(=O)(O)O 8576AL [1,1,0,0,0,0|1,0,0]=3
20  B21R0.24664  COC(=O)CCCCCCCCCCCCCCC(=O)OC 6481AF [0,2,0,0,0,0|1,0,1]=4
21  B21R0.81  CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O 1147AH [0,2,0,0,0,0|0,0,2]=4
22  B21R0.36399  CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] 4934AL [0,2,0,0,0,0|1,0,1]=4
23  B21R1.17805  CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O 9626AJ [0,1,0,1,0,0|0,0,0]=2
24  B21R1.988145  CCCCCCC1CC1CCCCCCCCCC(=O)O 1352AH [0,1,0,1,0,0|0,0,0]=2
25  B21R1.17781  CCCCCCCCCCCCCCCCCCC1CO1 4462AL [0,1,0,1,0,0|1,0,1]=4