0  B18R0.233  CCCCCCCCCCCC(=O)OCCC(C)C LQ3044 [0,0,0,0,0,0|3,0,1]=4
1  B18R0.233  CCCCCCCCCCCC(=O)OCCN(C)C RT13894 [0,0,0,0,0,0|4,0,0]=4
2  B17R0.43  CCCCCCCCCCCCCCCC(=O)O LQ0011 [1,0,0,0,0,0|0,0,1]=2
3  B17R0.43  CCCCCCCCCCCCCCCC(=O)[O-] LL0752 [1,0,0,0,0,0|0,0,2]=3
4  B17R0.43  CCCCCCCCCCCCCCCC(C)=O RT1300 [1,0,0,0,0,0|1,0,1]=3
5  B17R0.43  CCCCCCCCCCCCCCCC(O)=S RT14028 [1,0,0,0,0,0|0,1,1]=3
6  B17R0.43  CCCCCCCCCCCCCCOC(C)=O JZ4069 [1,0,0,0,0,0|2,0,1]=4
7  B17R0.43  CCCCCC\C=C/CCCCCCCC(=O)O XJ0716 [1,0,0,0,0,0|0,0,3]=4
8  B17R0.43  O=C(O)CCCCCCCCCCCCCCO LQ2698 [1,0,0,0,0,0|1,0,1]=3
9  B17R0.3110  CCCCCCCCCCCC(=O)OCCCC XJ0347 [1,0,0,0,0,0|2,0,1]=4
10  B17R0.192  CCCCCCCCCCCC(=O)OCC(C)O HL1552 [0,0,0,0,1,0|2,0,1]=4
11  B17R0.192  CCCCCCCCCCCC(=O)OCC(C)O JZ5782 [0,0,0,0,1,0|2,0,1]=4
12  B19R0.9205  CCCCCCCCCCCC(=O)NCCCN(C)C RT3552 [0,0,0,0,0,1|3,0,0]=4
13  B16R0.274  CCCCCCCCCCCCCCC(=O)O HL0567 [2,0,0,0,0,0|0,0,0]=2
14  B16R0.274  CCCCCCCCCCCCCCC(C)=O RT1296 [2,0,0,0,0,0|1,0,0]=3
15  B16R0.274  CCCCCCCCCCCCCOC(C)=O JZ4344 [2,0,0,0,0,0|2,0,0]=4
16  B16R0.303  CCCCCCCCCCCCCCCC=O RT0079 [2,0,0,0,0,0|0,0,1]=3
17  B16R0.661  CCCCCCCCCCCC(=O)NCCO XJ6116 [2,0,0,0,0,0|1,0,0]=3
18  B16R0.661  CCCCCCCCCCCC(=O)OCCO XJ3504 [2,0,0,0,0,0|1,0,0]=3
19  B18R0.171  CCCCCCCCCCCCCCCC(=O)NN JZ2075 [1,1,0,0,0,0|1,0,1]=4
20  B18R0.176  CCCCCCCCCCCCCCCOC(C)=O LQ1260 [1,1,0,0,0,0|1,0,1]=4
21  B18R0.176  CCCCCCCCCCCCCCSCC(=O)O JZ2143 [1,1,0,0,0,0|0,0,1]=3
22  B18R0.176  O=C(O)CCCCCCCCCCCCCCCO HL1869 [1,1,0,0,0,0|0,0,1]=3
23  B18R0.7795  CCCCCCCCCCCC(=O)OCC(O)CO LT4068 [1,1,0,0,0,0|1,0,1]=4
24  B18R0.7795  CCCCCCCCCCCC(=O)OCC(O)CO XJ0596 [1,1,0,0,0,0|1,0,1]=4
25  B18R0.6543  CCCCCCCCCCCC(=O)N(C)CC(=O)[O-] LT7338 [0,1,0,0,1,0|1,0,1]=4
26  B20R0.138  CCCCCCCCC\C=C/C=C/C(=O)CCCC(=O)O RT14002 [0,2,0,0,0,0|0,0,2]=4
27  B18R1.13791  O=C1CCCCCCCCCCCCCCCO1 LQ0433 [1,0,0,1,0,0|0,0,1]=3
28  B18R1.13791  O=C1CCCCCCCCCOCCCCCO1 HL2528 [1,0,0,1,0,0|1,0,1]=4
29  B18R1.41514  CCCCCCCCCCCC(=O)OCC1CO1 RT13858 [1,0,0,1,0,0|1,0,1]=4
30  B16R0.302  CCCCCCCCCCCC(O)CC(=O)O RT0685 [0,0,0,0,2,0|0,0,2]=4
31  B16R0.302  CCCCCCCCCCC[C@H](O)CC(=O)O RT13897 [0,0,0,0,2,0|0,0,2]=4