0 B19R0.149 C(=CCCCCCCCC)CCCCCCCC(=O)[O-] LQ3907 [0,0,0,0,0,0|0,0,1]=1 1 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O HL1870 [0,0,0,0,0,0|0,0,2]=2 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O LQ0012 [0,0,0,0,0,0|0,0,2]=2 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HL0569 [0,0,0,0,0,0|0,0,3]=3 4 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] JZ3751 [0,0,0,0,0,0|0,0,3]=3 5 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ0991 [0,0,0,0,0,0|0,0,3]=3 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ1020 [0,0,0,0,0,0|0,0,3]=3 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ1078 [0,0,0,0,0,0|0,0,3]=3 8 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ1475 [0,0,0,0,0,0|0,0,3]=3 9 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ5379 [0,0,0,0,0,0|0,0,3]=3 10 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LT4011 [0,0,0,0,0,0|0,0,3]=3 11 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LT4637 [0,0,0,0,0,0|0,0,3]=3 12 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] XJ1282 [0,0,0,0,0,0|0,0,3]=3 13 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] XJ2076 [0,0,0,0,0,0|0,0,3]=3 14 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] XJ2077 [0,0,0,0,0,0|0,0,3]=3 15 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] XJ3216 [0,0,0,0,0,0|0,0,3]=3 16 B19R0.149 CCCCCCCCCCCCCCCCCC(C)=O LQ1264 [0,0,0,0,0,0|1,0,2]=3 17 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O HL1416 [0,0,0,0,0,0|0,0,0]=0 18 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O XJ2268 [0,0,0,0,0,0|0,0,0]=0 19 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] HL0375 [0,0,0,0,0,0|0,0,1]=1 20 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] HL1574 [0,0,0,0,0,0|0,0,1]=1 21 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] HL1965 [0,0,0,0,0,0|0,0,1]=1 22 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] LQ1022 [0,0,0,0,0,0|0,0,1]=1 23 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] XJ1605 [0,0,0,0,0,0|0,0,1]=1 24 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(N)=O LL0660 [0,0,0,0,0,0|1,0,0]=1 25 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl HL1414 [0,0,0,0,0,0|1,0,0]=1 26 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(N)=O RT0279 [0,0,0,0,0,0|1,0,0]=1 27 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)Cl RT0227 [0,0,0,0,0,0|1,0,2]=3 28 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O LL0058 [0,0,0,0,0,0|0,0,2]=2 29 B18R0.176 CCCCCCCCCCCCCCCOC(C)=O LQ1260 [1,0,0,0,0,0|2,0,1]=4 30 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O JZ2143 [1,0,0,0,0,0|1,0,1]=3 31 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO HL1869 [1,0,0,0,0,0|1,0,1]=3 32 B18R0.221 CCCCCCCCCCCCCCCCCC=O RT1154 [1,0,0,0,0,0|0,0,2]=3 33 B18R0.221 CCCCCCCCCCCCCCCCCCO HL1423 [1,0,0,0,0,0|0,0,3]=4 34 B18R0.221 CCCCCCCCCCCCCCCCCCO LL1160 [1,0,0,0,0,0|0,0,3]=4 35 B18R0.221 CCCCCCCC\C=C/CCCCCCCCBr RT0801 [1,0,0,0,0,0|1,0,1]=3 36 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO HL1578 [1,0,0,0,0,0|0,0,1]=2 37 B18R0.221 CCCCCCCC\C=C\CCCCCCCCN HL1422 [1,0,0,0,0,0|1,0,1]=3 38 B18R0.221 CCCCC\C=C/C\C=C/CCCCCCCCO YH04093 [1,0,0,0,0,0|0,0,3]=4 39 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O JZ3316 [0,1,0,0,0,0|0,0,2]=3 40 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O LL1422 [0,1,0,0,0,0|0,0,2]=3 41 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O XJ0571 [0,1,0,0,0,0|0,0,0]=1 42 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN XJ2650 [0,1,0,0,0,0|1,0,2]=4 43 B20R0.3034 CCCCCCCC\C=C/CCCCCCC[13C](=O)OC RT13928 [0,1,0,0,0,0|0,0,0]=1 44 B20R0.3034 CCCCCCCC\C=C\CCCCCCCC(=O)OC JZ4783 [0,1,0,0,0,0|0,0,0]=1 45 B20R0.3037 C#CCCCCCC\C=C/CCCCCCC(O)C(=O)O RT13820 [0,1,0,0,0,0|0,0,2]=3 46 B20R0.3037 CCCCCCCC\C=C/CCCCCCC(O)C(=O)O RT5915 [0,1,0,0,0,0|0,0,0]=1 47 B17R0.43 CCCCCCCCCCCCCCCC(=O)O LQ0011 [2,0,0,0,0,0|0,0,0]=2 48 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] LL0752 [2,0,0,0,0,0|0,0,1]=3 49 B17R0.43 CCCCCCCCCCCCCCCC(C)=O RT1300 [2,0,0,0,0,0|1,0,0]=3 50 B17R0.43 CCCCCCCCCCCCCCCC(O)=S RT14028 [2,0,0,0,0,0|0,1,0]=3 51 B17R0.43 CCCCCCCCCCCCCCOC(C)=O JZ4069 [2,0,0,0,0,0|2,0,0]=4 52 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O XJ0716 [2,0,0,0,0,0|0,0,0]=2 53 B17R0.43 O=C(O)CCCCCCCCCCCCCCO LQ2698 [2,0,0,0,0,0|1,0,0]=3 54 B17R0.117 CCCCCCCC\C=C\CCCCCCCC JZ2762 [2,0,0,0,0,0|0,0,1]=3 55 B19R0.153 CCCCCCCCCCCCCCCC(C)C(N)=O HL1490 [1,1,0,0,0,0|1,0,1]=4 56 B19R0.36 CCCCCCCC\C=C\CCCCCCCCCC RT0719 [1,1,0,0,0,0|1,0,1]=4 57 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O RT13873 [0,2,0,0,0,0|0,0,2]=4 58 B21R0.21192 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC XJ0572 [0,2,0,0,0,0|0,0,0]=2 59 B21R0.36393 CCCCCCCCCCCCCCCC(O)CC(=O)OC RT13875 [0,2,0,0,0,0|0,0,2]=4 60 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC XJ0403 [0,2,0,0,0,0|0,0,2]=4 61 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCO HL2512 [0,2,0,0,0,0|0,0,2]=4 62 B21R0.2907 CCCCCCCC\C=C/CCCCCCCC(=O)OCC XJ0402 [0,2,0,0,0,0|0,0,0]=2 63 B21R0.22911 CC(=O)CCCCCC\C=C/CCCCCCC(O)C(=O)O RT13821 [0,2,0,0,0,0|0,0,1]=3 64 B21R0.37123 CCCCCCCC\C=C/CCCCCCC(C)(O)C(=O)O RT13819 [0,2,0,0,0,0|0,0,0]=2 65 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O HL1872 [0,2,0,0,0,0|0,0,2]=4 66 B21R0.81 CCCCCCCC\C=C/CCCCCCCCOC(C)=O LQ1340 [0,2,0,0,0,0|1,0,0]=3 67 B21R0.81 CCCCCCCC\C=C/CCCC\C=C/CCCC(=O)O RT13926 [0,2,0,0,0,0|0,0,0]=2 68 B21R0.81 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O RT0140 [0,2,0,0,0,0|0,0,2]=4 69 B21R1.17805 CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O RT13879 [0,1,0,1,0,0|0,0,2]=4