0  B18R1.13791  O=C1CCCCCCCCCCCCCCCO1 LQ0433 [0,0,0,0,0,0|0,0,2]=2
1  B18R1.13791  O=C1CCCCCCCCCOCCCCCO1 HL2528 [0,0,0,0,0,0|1,0,2]=3
2  B17R0.43  CCCCCCCCCCCCCCCC(=O)O LQ0011 [0,0,1,0,0,0|0,0,2]=3
3  B17R0.43  CCCCCCCCCCCCCCCC(=O)[O-] LL0752 [0,0,1,0,0,0|0,0,3]=4
4  B17R0.43  CCCCCCCCCCCCCCCC(C)=O RT1300 [0,0,1,0,0,0|1,0,2]=4
5  B17R0.43  CCCCCCCCCCCCCCCC(O)=S RT14028 [0,0,1,0,0,0|0,1,2]=4
6  B17R0.43  CCCCCCCCCCCCCCOC(C)=O JZ4069 [0,0,1,0,0,0|0,0,2]=3
7  B17R0.43  CCCCCC\C=C/CCCCCCCC(=O)O XJ0716 [0,0,1,0,0,0|0,0,0]=1
8  B17R0.43  O=C(O)CCCCCCCCCCCCCCO LQ2698 [0,0,1,0,0,0|1,0,2]=4
9  B17R0.104  CCCCCCCCC(=O)CCCCCCCC XJ0916 [0,0,1,0,0,0|1,0,2]=4
10  B17R0.195  CCCCCCCCCCCCCOC(=O)CN RT18268 [0,0,1,0,0,0|1,0,2]=4
11  B17R0.250  CCCCCCCCCCCCCC(=O)CCC LQ5286 [0,0,1,0,0,0|1,0,2]=4
12  B17R0.3110  CCCCCCCCCCCC(=O)OCCCC XJ0347 [0,0,1,0,0,0|0,0,2]=3
13  B17R1.11298  O=C1CCCCCCCCCCCCCCO1 XJ0345 [0,0,0,0,1,0|0,0,1]=2
14  B16R0.274  CCCCCCCCCCCCCCC(=O)O HL0567 [1,0,1,0,0,0|0,0,1]=3
15  B16R0.274  CCCCCCCCCCCCCCC(C)=O RT1296 [1,0,1,0,0,0|0,0,2]=4
16  B16R0.274  CCCCCCCCCCCCCOC(C)=O JZ4344 [1,0,1,0,0,0|0,0,1]=3
17  B16R0.303  CCCCCCCCCCCCCCCC=O RT0079 [1,0,1,0,0,0|0,0,2]=4
18  B16R0.303  CCCCC\C=C\CCCCCCCCC=O RT1309 [1,0,1,0,0,0|0,0,2]=4
19  B16R0.221  CCCCCCCCCCCCCC(=O)OC HL1480 [1,0,1,0,0,0|0,0,1]=3
20  B16R0.661  CCCCCCCCCCCC(=O)OCCO XJ3504 [1,0,1,0,0,0|1,0,1]=4
21  B16R0.68  C=CCCCCCCCCC(=O)OCCCC LQ0435 [1,0,1,0,0,0|0,0,2]=4
22  B18R0.171  CCCCCC\C=C/CCCCCCCC(=O)OC XJ1600 [0,1,1,0,0,0|0,0,0]=2
23  B18R0.171  CCCCCC\C=C\CCCCCCCC(=O)OC LQ3375 [0,1,1,0,0,0|0,0,0]=2
24  B18R0.176  CCCCCCCCCCCCCCCOC(C)=O LQ1260 [0,1,1,0,0,0|0,0,2]=4
25  B18R0.176  CCCCCCCCCCCCCCSCC(=O)O JZ2143 [0,1,1,0,0,0|0,0,2]=4
26  B18R0.176  O=C(O)CCCCCCCCCCCCCCCO HL1869 [0,1,1,0,0,0|0,0,2]=4
27  B16R1.8816  O=C1CCCCCCCCCCCCCC1 XJ0862 [0,0,0,0,2,0|0,0,1]=3