0 B10R0.2 CCCC(O)CC(=O)OCC HL2209 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.2 CCOC(=N)CC(=O)OCC JZ0689 [0,0,0,0,0,0|1,0,0]=1 2 B10R0.2 CCOC(=O)CC(=O)COC YH12891 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.2 CCOC(=O)CC(=O)OCC XJ0321 [0,0,0,0,0,0|0,0,0]=0 4 B10R0.2 CCOC(=O)OC(=O)OCC XJ1843 [0,0,0,0,0,0|1,0,0]=1 5 B10R0.2 CCOC(=O)\C=C(/C)OCC XJ1537 [0,0,0,0,0,0|1,0,1]=2 6 B10R0.2 CCOC(=[NH2+])CC(=O)OCC JZ0696 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.5 CCCCCC(=O)CCC XJ2740 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.5 CCOC(=O)CCCCN LQ4498 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCOC(=O)COCCCl YH39718 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.5 CCO\C=C\C(=O)OCC HL0560 [1,0,0,0,0,0|0,0,1]=2 11 B9R0.5 CCO\C=C\C(=O)OCC LQ2963 [1,0,0,0,0,0|0,0,1]=2 12 B9R0.34 CCCC(O)CC(=O)OC RT1164 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.34 CCOC(=O)CC(=O)CBr JZ3662 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.34 CCOC(=O)CC(=O)CC XJ2812 [1,0,0,0,0,0|0,0,0]=1 15 B9R0.34 CCOC(=O)CC(=O)CCl JZ0314 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.34 CCOC(=O)CC(=O)NC LX2309 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.34 CCOC(=O)C[C@@H](O)CBr LT5259 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.34 CCOC(=O)C[C@@H](O)CCl SY0316 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.34 CCOC(=O)C[C@H](O)CBr LT5260 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.34 CCOC(=O)C[C@H](O)CO RT17657 [1,0,0,0,0,0|1,0,2]=4 21 B9R0.34 CCOC(=O)NC(=S)CC RT0256 [1,0,0,0,0,0|1,1,0]=3 22 B9R0.34 CCOC(=O)\C=C(/C)CBr RT0107 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.34 CCOC(=O)\C=C(\C)CBr RT0108 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.34 CCOC(=O)\C=C(\C)NC YH91127 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.34 COCC(=O)CC(=O)OC LT3021 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.1 CCOC(=O)CC(=O)CC(C)O CJ2848 [0,1,0,0,0,0|1,0,0]=2 27 B11R0.5 CCOC(=O)CC(=O)CCOC XJ6768 [0,1,0,0,0,0|1,0,0]=2 28 B11R0.177 CCOC(=O)C(=O)C(=O)OCC XJ1071 [0,1,0,0,0,0|0,0,1]=2 29 B11R0.177 CCOC(=O)C(C)C(=O)OCC YH09759 [0,1,0,0,0,0|0,0,0]=1 30 B11R0.177 CCOC(=O)C(F)C(=O)OCC HL0371 [0,1,0,0,0,0|0,0,0]=1 31 B11R0.177 CCOC(=O)C(N)C(=O)OCC LT2000 [0,1,0,0,0,0|0,0,0]=1 32 B11R0.182 CCOC(=O)\C=C(/CBr)OCC XJ1566 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.30 CCOC(=O)CC1CCCO1 RT15058 [0,0,0,1,0,0|1,0,1]=3 34 B11R1.199 CCOC(=O)C1=C(N)CCC1 LT0730 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.334 CCOC(=O)CC(=O)C1CC1 LQ4454 [0,0,0,1,0,0|1,0,0]=2 36 B9R0.35 CCNC(=O)C(=O)NCC LQ1175 [0,0,0,0,1,0|2,0,0]=3 37 B9R0.35 CCOC(=N)C(=O)OCC YH06755 [0,0,0,0,1,0|1,0,0]=2 38 B9R0.35 CCOC(=N)C(=O)OCC YH19941 [0,0,0,0,1,0|1,0,0]=2 39 B9R0.35 CCOC(=O)C(=O)OCC LQ0292 [0,0,0,0,1,0|0,0,0]=1 40 B9R0.35 CCOC(=O)C(Cl)OCC LQ4835 [0,0,0,0,1,0|1,0,1]=3 41 B9R0.35 CCOC(=O)C(O)OCC RT1141 [0,0,0,0,1,0|0,0,2]=3 42 B11R0.62 CCOC(=O)C#CC(=O)OCC XJ1329 [0,0,0,0,0,1|0,0,1]=2 43 B11R0.62 CCOC(=O)CCC(=O)OCC XJ0500 [0,0,0,0,0,1|0,0,0]=1 44 B11R0.62 CCOC(=O)\C=C/C(=O)OCC YH34085 [0,0,0,0,0,1|0,0,1]=2 45 B11R0.62 CCOC(=O)\N=N\C(=O)OCC JZ1836 [0,0,0,0,0,1|1,0,0]=2 46 B8R0.1 CCOC(=O)CCCBr LT5161 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.1 CCOC(=O)CCCN JZ3049 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.1 CCOC(=O)CCSC LT5684 [2,0,0,0,0,0|0,1,1]=4 49 B8R0.1 CCOC(=O)COCCl RT0554 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.1 CCOC(=O)\C=C\CBr LT2980 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.1 CCOCC(=O)OCC LQ1457 [2,0,0,0,0,0|0,0,0]=2 52 B8R0.6 CCCCCC(=O)CC HL1322 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.6 CCCCCC(=O)OC HL1324 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.6 CCO\C=C\C(=O)CC RT16428 [2,0,0,0,0,0|0,0,1]=3 56 B8R0.5 CCNC(=O)CC(C)=O RT17389 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.5 CCOC(=O)C=C(C)C JZ4058 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.5 CCOC(=O)CC(=O)O LQ1646 [2,0,0,0,0,0|0,0,0]=2 59 B8R0.5 CCOC(=O)CC(=O)[O-] RT16410 [2,0,0,0,0,0|0,0,1]=3 60 B8R0.5 CCOC(=O)CC(C)=O JZ0311 [2,0,0,0,0,0|0,0,0]=2 61 B8R0.5 CCOC(=O)CC(C)O HL2936 [2,0,0,0,0,0|0,0,2]=4 62 B8R0.5 CCOC(=O)CC(N)=O XJ1561 [2,0,0,0,0,0|1,0,0]=3 63 B8R0.5 CCOC(=O)CC(N)=S YH32982 [2,0,0,0,0,0|1,1,0]=4 64 B8R0.5 CCOC(=O)CN(C)C LT7396 [2,0,0,0,0,0|2,0,0]=4 65 B8R0.5 CCOC(=O)C[N+](=O)[O-] HL0228 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.5 CCOC(=O)\C=C(/C)N LQ3251 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.5 CCO\C([O-])=C\C(C)=O XJ6459 [2,0,0,0,0,0|0,0,2]=4 68 B8R0.19 CCC(=O)CC(=O)OC LT5551 [2,0,0,0,0,0|0,0,0]=2 69 B8R0.19 COC(=O)CC(=O)CCl XJ5114 [2,0,0,0,0,0|1,0,0]=3 70 B8R0.19 COC(=O)CC(=O)OC LQ0408 [2,0,0,0,0,0|0,0,0]=2 71 B10R0.1 CCOC(=O)CCCCCN XJ0704 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.3 CCOC(=O)\C=C\CC(C)C RT1131 [1,1,0,0,0,0|1,0,1]=4 73 B10R0.6 CCCCCC(=O)OC(C)C HL2217 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.19 CCCCC(Br)C(=O)OCC LQ1177 [1,1,0,0,0,0|1,0,1]=4 75 B10R0.18 COCCC(=O)CC(=O)OC CJ3151 [1,1,0,0,0,0|1,0,0]=3 76 B10R0.26 CCOC(=O)CC(=O)C(C)C JZ1460 [1,1,0,0,0,0|0,0,0]=2 77 B10R0.26 CCOC(=O)CC(=O)C(F)F LL0676 [1,1,0,0,0,0|1,0,0]=3 78 B10R0.35 CCOC(=O)C(F)C(=O)CC XJ1321 [1,1,0,0,0,0|0,0,0]=2 79 B10R0.44 COC(=O)CC(=O)CC(C)C YH66121 [1,1,0,0,0,0|1,0,0]=3 80 B10R0.32 CCOC(=O)C(=O)CC(C)=O LQ1173 [0,1,0,0,1,0|1,0,1]=4 81 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC RT1242 [0,1,0,0,0,1|1,0,0]=3 82 B12R0.69 CCOC(=O)\C=C(\Cl)C(=O)OCC RT0088 [0,1,0,0,0,1|0,0,1]=3 83 B12R0.8 CCOC(=O)C(CC)C(=O)OCC LT7808 [0,2,0,0,0,0|0,0,0]=2 84 B12R0.731 CCOC(=O)C(Br)(Br)C(=O)OCC LQ1290 [0,2,0,0,0,0|0,0,0]=2 85 B12R0.731 CCOC(=O)C(F)(F)C(=O)OCC HL0352 [0,2,0,0,0,0|0,0,0]=2 86 B12R0.22 CCOC(=O)C=C(OCC)OCC LT2068 [0,2,0,0,0,0|0,0,2]=4 87 B12R0.22 CCOC(=O)CC(OCC)OCC JZ3473 [0,2,0,0,0,0|0,0,2]=4 88 B10R1.134 COC(=O)CC(=O)C1CC1 RT17729 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.149 COC(=O)C1CCCC1=O LT7459 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.2 CCN1CCNC(=O)C1=O LT5629 [0,0,0,1,1,0|2,0,0]=4 91 B12R1.318 CCOC(=O)CN1CCCC1=O HL4152 [0,0,0,1,0,1|1,0,0]=3 92 B12R1.308 CCOC(=O)C1=C(C)OCCC1 RT14999 [0,1,0,1,0,0|1,0,1]=4 93 B12R1.308 CCOC(=O)C1CCCCC1=O HL0963 [0,1,0,1,0,0|1,0,0]=3 94 B12R1.308 CCOC(=O)C1CCNCC1=O LQ2712 [0,1,0,1,0,0|1,0,0]=3 95 B12R1.308 CCOC(=O)C1CCNCC1=O YH65569 [0,1,0,1,0,0|1,0,0]=3 96 B12R1.519 CCOC(=O)CC(=O)C1CCC1 YH49344 [0,1,0,1,0,0|1,0,0]=3 97 B8R0.3 CCOC(=O)C(=O)CBr LT7898 [1,0,0,0,1,0|1,0,0]=3 98 B8R0.3 CCOC(=O)C(Br)CC LL0944 [1,0,0,0,1,0|1,0,1]=4 99 B8R0.3 CCOC(=O)C(C)OC RT0257 [1,0,0,0,1,0|1,0,1]=4 100 B12R0.285 CCOC(=O)CCCC(=O)OCC LQ1460 [0,0,0,0,0,2|0,0,0]=2