0 B19R0.149 C(=CCCCCCCCC)CCCCCCCC(=O)[O-] LQ3907 [0,0,0,0,0,0|0,0,3]=3 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|0,0,0]=0 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] HL0569 [0,0,0,0,0,0|0,0,1]=1 4 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] JZ3751 [0,0,0,0,0,0|0,0,1]=1 5 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ0991 [0,0,0,0,0,0|0,0,1]=1 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ1020 [0,0,0,0,0,0|0,0,1]=1 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ1078 [0,0,0,0,0,0|0,0,1]=1 8 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ1475 [0,0,0,0,0,0|0,0,1]=1 9 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LQ5379 [0,0,0,0,0,0|0,0,1]=1 10 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LT4011 [0,0,0,0,0,0|0,0,1]=1 11 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] LT4637 [0,0,0,0,0,0|0,0,1]=1 12 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] XJ1282 [0,0,0,0,0,0|0,0,1]=1 13 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] XJ2076 [0,0,0,0,0,0|0,0,1]=1 14 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] XJ2077 [0,0,0,0,0,0|0,0,1]=1 15 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] XJ3216 [0,0,0,0,0,0|0,0,1]=1 16 B19R0.149 CCCCCCCCCCCCCCCCCC(C)=O LQ1264 [0,0,0,0,0,0|1,0,0]=1 17 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O HL1416 [0,0,0,0,0,0|0,0,2]=2 18 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O XJ2268 [0,0,0,0,0,0|0,0,2]=2 19 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] HL0375 [0,0,0,0,0,0|0,0,3]=3 20 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] HL1574 [0,0,0,0,0,0|0,0,3]=3 21 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] HL1965 [0,0,0,0,0,0|0,0,3]=3 22 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] LQ1022 [0,0,0,0,0,0|0,0,3]=3 23 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] XJ1605 [0,0,0,0,0,0|0,0,3]=3 24 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(N)=O LL0660 [0,0,0,0,0,0|1,0,2]=3 25 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl HL1414 [0,0,0,0,0,0|1,0,2]=3 26 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(N)=O RT0279 [0,0,0,0,0,0|1,0,2]=3 27 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O LL0058 [0,0,0,0,0,0|0,0,4]=4 28 B18R0.176 CCCCCCCCCCCCCCCCN(C)C HL1409 [1,0,0,0,0,0|3,0,0]=4 29 B18R0.176 CCCCCCCCCCCCCCCCN(C)C XJ6361 [1,0,0,0,0,0|3,0,0]=4 30 B18R0.176 CCCCCCCCCCCCCCCOC(C)=O LQ1260 [1,0,0,0,0,0|2,0,0]=3 31 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O JZ2143 [1,0,0,0,0,0|1,0,0]=2 32 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO HL1869 [1,0,0,0,0,0|1,0,0]=2 33 B18R0.221 CCCCCCCCCCCCCCCCCC=O RT1154 [1,0,0,0,0,0|0,0,0]=1 34 B18R0.221 CCCCCCCCCCCCCCCCCCBr HL1421 [1,0,0,0,0,0|1,0,1]=3 35 B18R0.221 CCCCCCCCCCCCCCCCCCCl HL2525 [1,0,0,0,0,0|1,0,1]=3 36 B18R0.221 CCCCCCCCCCCCCCCCCCN HL2016 [1,0,0,0,0,0|1,0,1]=3 37 B18R0.221 CCCCCCCCCCCCCCCCCCO HL1423 [1,0,0,0,0,0|0,0,1]=2 38 B18R0.221 CCCCCCCCCCCCCCCCCCO LL1160 [1,0,0,0,0,0|0,0,1]=2 39 B18R0.221 CCCCCCCCCCCCCCNCCCN LQ2671 [1,0,0,0,0,0|2,0,1]=4 40 B18R0.221 CCCCCCCCCNCCCCCCCCC RT1459 [1,0,0,0,0,0|2,0,1]=4 41 B18R0.221 CCCCCCCCCSCCCCCCCCC LQ1540 [1,0,0,0,0,0|2,0,1]=4 42 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO HL1578 [1,0,0,0,0,0|0,0,3]=4 43 B18R0.221 CCCCCC\C=C/CCCCCCCCCC=O RT1244 [1,0,0,0,0,0|0,0,2]=3 44 B18R0.221 CCCCCC\C=C/CCCCCCCCCCO RT1267 [1,0,0,0,0,0|0,0,3]=4 45 B18R0.221 CCCC\C=C/CCCCCCCCCCCC=O RT0706 [1,0,0,0,0,0|0,0,2]=3 46 B18R0.221 CCCC\C=C/CCCCCCCCCCCCO RT1272 [1,0,0,0,0,0|0,0,3]=4 47 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)[O-] RT13931 [0,1,0,0,0,0|0,0,2]=3 48 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O JZ3316 [0,1,0,0,0,0|0,0,0]=1 49 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O LL1422 [0,1,0,0,0,0|0,0,0]=1 50 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O XJ0571 [0,1,0,0,0,0|0,0,2]=3 51 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN XJ2650 [0,1,0,0,0,0|1,0,0]=2 52 B20R0.3034 CCCCCCCC\C=C/CCCCCCC[13C](=O)OC RT13928 [0,1,0,0,0,0|0,0,2]=3 53 B20R0.3034 CCCCCCCC\C=C\CCCCCCCC(=O)OC JZ4783 [0,1,0,0,0,0|0,0,2]=3 54 B20R0.3037 CCCCCCCC\C=C/CCCCCCC(O)C(=O)O RT5915 [0,1,0,0,0,0|0,0,2]=3 55 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])O YH65119 [0,1,0,0,0,0|2,0,0]=3 56 B20R0.32509 CCCCCCCCCCCCCCCCOS(C)(=O)=S RT17823 [0,1,0,0,0,0|2,1,0]=4 57 B17R0.43 CCCCCCCCCCCCCCCC(=O)O LQ0011 [2,0,0,0,0,0|0,0,0]=2 58 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] LL0752 [2,0,0,0,0,0|0,0,1]=3 59 B17R0.43 CCCCCCCCCCCCCCCC(C)=O RT1300 [2,0,0,0,0,0|1,0,0]=3 60 B17R0.43 CCCCCCCCCCCCCCCC(O)=S RT14028 [2,0,0,0,0,0|0,1,0]=3 61 B17R0.43 CCCCCCCCCCCCCCOC(C)=O JZ4069 [2,0,0,0,0,0|2,0,0]=4 62 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O XJ0716 [2,0,0,0,0,0|0,0,2]=4 63 B17R0.43 O=C(O)CCCCCCCCCCCCCCO LQ2698 [2,0,0,0,0,0|1,0,0]=3 64 B17R0.117 CCCCCCCCCCCCCCCCCBr RT13895 [2,0,0,0,0,0|1,0,0]=3 65 B17R0.117 CCCCCCCCCCCCCCCCCC LQ1079 [2,0,0,0,0,0|0,0,1]=3 66 B17R0.117 OCCCCCCCCCCCCCCCCBr HL4139 [2,0,0,0,0,0|1,0,0]=3 67 B19R0.148 CCCCCCCCCCCCCCCCN(C)N=O RT1447 [1,1,0,0,0,0|2,0,0]=4 68 B19R0.153 CCCCCCCCCCCCCCCC(C)C(N)=O HL1490 [1,1,0,0,0,0|1,0,0]=3 69 B19R0.36 CCCCCCCCCCCCCCCCCCCC HL1424 [1,1,0,0,0,0|1,0,1]=4 70 B19R0.36 CCCCCCCCCCCCCCCCCCNC RT1439 [1,1,0,0,0,0|1,0,1]=4 71 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O RT13873 [0,2,0,0,0,0|0,0,0]=2 72 B21R0.21192 CCCCCCC(=O)CCCCCCCCCCC(=O)OC RT13872 [0,2,0,0,0,0|0,0,1]=3 73 B21R0.21192 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC XJ0572 [0,2,0,0,0,0|0,0,2]=4 74 B21R0.36393 CCCCCCCCCCCCCCCC(O)CC(=O)OC RT13875 [0,2,0,0,0,0|0,0,0]=2 75 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC XJ0403 [0,2,0,0,0,0|0,0,0]=2 76 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCO HL2512 [0,2,0,0,0,0|0,0,0]=2 77 B21R0.2907 CCCCCCCC\C=C/CCCCCCCC(=O)OCC XJ0402 [0,2,0,0,0,0|0,0,2]=4 78 B21R0.9167 CCCCCCCCCCCC(=O)CCCCCC(=O)OC RT0772 [0,2,0,0,0,0|0,0,1]=3 79 B21R0.36766 CCCCCCCCCCCCCCCCCCC(O)CO RT0775 [0,2,0,0,0,0|0,0,2]=4 80 B21R0.36766 CCCCCCCCCCCCCCCCCCN(C)N=O RT1445 [0,2,0,0,0,0|2,0,0]=4 81 B21R0.37123 CCCCCCCC\C=C/CCCCCCC(C)(O)C(=O)O RT13819 [0,2,0,0,0,0|0,0,2]=4 82 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O HL1872 [0,2,0,0,0,0|0,0,0]=2 83 B21R0.81 CCCCCCCCCCCCCCCCCCOC(=O)Cl LQ5224 [0,2,0,0,0,0|1,0,0]=3 84 B21R0.81 CCCCCCCCCCCCCCCCCCOC(C)=O LQ1477 [0,2,0,0,0,0|1,0,0]=3 85 B21R0.81 CCCCCCCC\C=C/CCCCCCCCOC(C)=O LQ1340 [0,2,0,0,0,0|1,0,1]=4 86 B21R0.81 CCCCCCCC\C=C/CCCC\C=C/CCCC(=O)O RT13926 [0,2,0,0,0,0|0,0,2]=4 87 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl JZ3447 [0,2,0,0,0,0|1,0,1]=4 88 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 JZ3108 [1,0,0,1,0,0|1,0,1]=4 89 B21R1.17805 CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O RT13879 [0,1,0,1,0,0|0,0,0]=2