0 B10R0.2 CCC/C(=C/C(=O)OCC)/C Z848606456 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.2 CCOC(=O)/C=C(\C)/OCC Z740905622 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.2 CCOC(=O)CC(=O)COC Z839817118 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.2 CCOC(=O)CC(=O)OCC Z104473166 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.2 CCOC(=O)CC(C)SCC Z852752806 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.5 C=CCOCC(=O)OCC Z362807784 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.5 CCCCCC(O)CCO Z1198158015 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.5 CCCCNC(=O)CCC Z31763357 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.5 CCCNCC(=O)OCC Z235653500 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.5 CCNC(=O)NCCCO Z425745002 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.5 CCOC(=O)CCCCN Z1741976369 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.5 CCOC(=O)COCCN Z2235644494 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.34 C#CCC(N)CC(=O)OC Z3825461044 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.34 CCCC(C)NC(=O)CCl Z56886269 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.34 CCOC(=O)CC(C)CN Z1569708806 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.34 COCC(=O)CC(=O)OC Z104495598 [1,0,0,0,0,0|1,0,2]=4 17 B11R0.1 CCCC(C)OC(=O)CC(C)C Z1332977285 [0,1,0,0,0,0|3,0,0]=4 18 B11R0.1 CCOC(=O)CC(=O)CC(C)C Z839817032 [0,1,0,0,0,0|0,0,2]=3 19 B11R0.5 C#CCCC(=O)CC(=O)OCC Z1513596846 [0,1,0,0,0,0|0,0,3]=4 20 B11R0.5 CCCCC(=O)CC(=O)OCC Z1255442532 [0,1,0,0,0,0|0,0,2]=3 21 B11R0.5 CCNCC(=O)NC(=O)OCC Z46193310 [0,1,0,0,0,0|1,0,2]=4 22 B11R0.177 CCCC(=O)C(C)C(=O)OCC Z1198149929 [0,1,0,0,0,0|0,0,2]=3 23 B11R0.177 CCOC(=O)C(C)C(=O)OCC Z104494966 [0,1,0,0,0,0|1,0,2]=4 24 B11R0.177 CCOC(=O)C(N)C(=O)OCC Z212046208 [0,1,0,0,0,0|1,0,2]=4 25 B11R0.187 CCOC(=O)CC(=O)C(C)OC Z1335092092 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.30 CCOC(=O)CC1=NCCS1 Z1889710750 [0,0,0,1,0,0|1,1,1]=4 27 B11R1.30 CCOC(=O)CC1CCCN1 Z2472857631 [0,0,0,1,0,0|1,0,0]=2 28 B11R1.199 CCOC(=O)C1CCCC1=O Z56907444 [0,0,0,1,0,0|0,0,2]=3 29 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N Z2235820494 [0,0,0,1,0,0|1,0,0]=2 30 B11R1.199 CCOC(=O)[C@@H]1NCC[C@@H]1O Z3035166610 [0,0,0,1,0,0|1,0,0]=2 31 B11R1.334 CCCC(=O)CC(=O)C1CC1 Z815305202 [0,0,0,1,0,0|1,0,2]=4 32 B11R1.334 CCOC(=O)/C=C(\C)/C1CC1 Z796696598 [0,0,0,1,0,0|1,0,2]=4 33 B11R1.334 CCOC(=O)CC(=O)C1CC1 Z362636860 [0,0,0,1,0,0|0,0,2]=3 34 B9R0.35 CCOC(=O)C(=O)OCC Z104473164 [0,0,0,0,1,0|1,0,2]=4 35 B9R0.35 CCOC(=O)N(C)CCO Z371625298 [0,0,0,0,1,0|3,0,0]=4 36 B11R0.62 CCCC(=O)CCC(=O)OCC Z838956954 [0,0,0,0,0,1|0,0,2]=3 37 B11R0.62 CCCC(C)CCC(=O)OCC Z1833617236 [0,0,0,0,0,1|1,0,0]=2 38 B11R0.62 CCOC(=O)CCC(=O)OCC Z57127474 [0,0,0,0,0,1|1,0,2]=4 39 B8R0.1 CCCOC(=O)OCC Z2375631176 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.1 CCNCC(=O)NCC Z55849446 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.1 CCOC(=O)CCNC Z2240989662 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.1 CCOC(=O)NCCN Z1263820337 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.1 CCOC(=O)NCCO Z31725113 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.6 CCCCCC(=O)NO Z59181978 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.6 CCCCNC(=O)CCl Z56853747 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.6 CCCCOC(=O)CN Z1266823221 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.6 CCCCOC(=O)OC Z1238573230 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.6 CCCNCC(=O)NC Z104884728 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.6 CCCNCC(=O)OC Z1836338844 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.6 CNC(=O)CCCCN Z5282835224 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.6 CNCCCC(=O)NC Z1457934887 [2,0,0,0,0,0|2,0,0]=4 52 B8R0.6 CNCCCC(=O)OC Z415636552 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.6 COC(=O)CCCC#N Z415715362 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.6 COC(=O)CCCCN Z854942764 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.6 COC(=O)NCCCN Z3772660622 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.5 CCCC(C)CC(=O)O Z352782810 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.5 CCCC(O)CC(=O)O Z982132146 [2,0,0,0,0,0|0,0,0]=2 59 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [2,0,0,0,0,0|1,0,0]=3 61 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [2,0,0,0,0,0|0,0,2]=4 64 B8R0.5 COCC(C)CC(=O)O Z992443864 [2,0,0,0,0,0|2,0,0]=4 65 B8R0.19 COC(=O)CC(C)SC Z732206678 [2,0,0,0,0,0|2,0,0]=4 66 B10R0.1 C=CCCOCC(=O)OCC Z362807876 [1,1,0,0,0,0|0,0,2]=4 67 B10R0.1 CCOC(=O)CNCCOC Z266448754 [1,1,0,0,0,0|1,0,0]=3 68 B10R0.6 CC(C)OC(=O)CSCCO Z292822094 [1,1,0,0,0,0|2,0,0]=4 69 B10R0.19 CCCNC(C)C(=O)OCC Z1881599663 [1,1,0,0,0,0|1,0,0]=3 70 B10R0.19 CCOC(=O)C(C)CCC#N Z1836222103 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.19 CCOC(=O)C(N)CCOC Z3048294005 [1,1,0,0,0,0|1,0,0]=3 72 B10R0.19 CCOC(=O)C(O)CCSC Z965048236 [1,1,0,0,0,0|1,0,0]=3 73 B10R0.19 CCOCC(N)C(=O)OCC Z3445798186 [1,1,0,0,0,0|1,0,0]=3 74 B10R0.91 CCCNCC(=O)NCCC Z104884800 [1,1,0,0,0,0|2,0,0]=4 75 B10R0.108 CCOC(=O)CNC(=O)CC Z594035716 [1,1,0,0,0,0|1,0,1]=4 76 B10R0.7 CCOC(=O)CC(C)(C)NC Z1649893467 [1,1,0,0,0,0|2,0,0]=4 77 B10R0.7 CCOC(=O)CC(C)(O)CN Z1262641133 [1,1,0,0,0,0|1,0,0]=3 78 B10R0.34 CCOC(=O)CC(CC)CC Z1198333210 [1,1,0,0,0,0|1,0,0]=3 79 B10R0.35 CCCC(=O)C(C)C(=O)OC Z839827802 [1,1,0,0,0,0|0,0,2]=4 80 B10R0.35 CCOC(=O)C(N)C(C)CC Z1270207946 [1,1,0,0,0,0|1,0,0]=3 81 B10R0.44 COC(=O)CC(N)CC(C)C Z4707550262 [1,1,0,0,0,0|1,0,0]=3 82 B10R0.148 COC(=O)CC(F)(F)CCN Z3905515820 [1,1,0,0,0,0|2,0,0]=4 83 B10R0.148 COCC(C)(N)CC(=O)OC Z1335029314 [1,1,0,0,0,0|2,0,0]=4 84 B10R0.32 CCOC(=O)C(N)CN(C)C Z1266933890 [0,1,0,0,1,0|2,0,0]=4 85 B10R0.33 CCCC(C#N)C(=O)OCC Z878453462 [0,1,0,0,1,0|1,0,0]=3 86 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC Z295445816 [0,1,0,0,0,1|0,0,2]=4 87 B12R0.101 CCCCC(=O)CCC(=O)OCC Z838956944 [0,1,0,0,0,1|0,0,2]=4 88 B12R0.445 CCCC(O)CNS(=O)(=O)CCC Z1247418412 [0,1,0,0,0,1|2,0,0]=4 89 B12R0.445 CCCS(=O)(=O)NCC(=O)OCC Z594037656 [0,1,0,0,0,1|1,0,1]=4 90 B12R0.18 CCNC(=O)NC(CO)CC(C)C Z799919028 [0,2,0,0,0,0|2,0,0]=4 91 B12R0.18 CCOC(=O)NC(CN)CC(C)C Z381026820 [0,2,0,0,0,0|2,0,0]=4 92 B12R0.239 CCCCCC(O)CC(=O)OCC Z982131426 [0,2,0,0,0,0|0,0,0]=2 93 B12R0.283 CCOC(=O)CC(=O)CCC(C)C Z839817114 [0,2,0,0,0,0|0,0,2]=4 94 B12R0.22 CCOC(=O)CC(OCC)OCC Z445152476 [0,2,0,0,0,0|1,0,0]=3 95 B12R0.745 CCCC(C)(CO)NC(=O)NCC Z1334885547 [0,2,0,0,0,0|2,0,0]=4 96 B12R0.746 CCOC(=O)CS(=O)(=O)C(C)CC Z234893789 [0,2,0,0,0,0|1,0,1]=4 97 B10R1.10 CCCC1CC(=O)CCO1 Z1192341343 [1,0,0,1,0,0|2,0,0]=4 98 B10R1.10 CCCN1CCCC(C1)O Z197276296 [1,0,0,1,0,0|2,0,0]=4 99 B10R1.10 COCC1CCNC(=O)C1 Z1203748366 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.10 NCCC1CCNC(=O)C1 Z4077128228 [1,0,0,1,0,0|2,0,0]=4 101 B10R1.11 CCCC(=O)C1CCCC1 Z513735600 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.11 CCOC(=O)C1CCCC1 Z53835896 [1,0,0,1,0,0|0,0,0]=2 103 B10R1.11 CCOC(=O)C1CCCN1 Z361885340 [1,0,0,1,0,0|1,0,0]=3 104 B10R1.11 CCOC(=O)C1CCNO1 Z3195944931 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.11 CCOC(=O)C1CCOC1 Z802555350 [1,0,0,1,0,0|1,0,0]=3 106 B10R1.11 CCOC(=O)[C@H]1CCCN1 Z2327570058 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.19 O=C1CCCCCN1CO Z162882232 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.25 CCN1CCC(=O)CC1C Z825755284 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.29 CCCCC1CCCC1=O Z813018296 [1,0,0,1,0,0|1,0,0]=3 110 B10R1.29 CCOCC1CCCC1=O Z1333210851 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.29 CNCCN1CCOC1=O Z1436181417 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.29 CSCCN1CCOC1=O Z1526456203 [1,0,0,1,0,0|2,0,0]=4 113 B10R1.29 NCCCC1CCOC1=O Z2752915920 [1,0,0,1,0,0|1,0,0]=3 114 B10R1.29 NCCCN1CCOC1=O Z323040308 [1,0,0,1,0,0|2,0,0]=4 115 B10R1.29 O=C1OCCN1CCCBr Z381035662 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [1,0,0,1,0,0|1,0,0]=3 117 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [1,0,0,1,0,0|1,0,0]=3 118 B10R1.79 O=C1CCCC(CCC1)O Z1198158812 [1,0,0,1,0,0|2,0,0]=4 119 B10R1.138 CCOC(=O)CCC1CO1 Z1509061644 [1,0,0,1,0,0|1,0,0]=3 120 B10R1.197 CCC1CCNC(=O)CC1 Z425362288 [1,0,0,1,0,0|1,0,0]=3 121 B10R1.197 O=C1CCC(CCN1)CO Z1721788341 [1,0,0,1,0,0|2,0,0]=4 122 B10R1.377 CCCC1(CCNCC1)O Z1020761046 [1,0,0,1,0,0|1,0,1]=4 123 B10R1.377 CNCC1(CCOCC1)O Z1762997360 [1,0,0,1,0,0|1,0,1]=4 124 B10R1.377 NCCC1(CCOCC1)O Z2037267130 [1,0,0,1,0,0|1,0,1]=4 125 B10R1.27 CCC(=O)CC1CCCO1 Z513734576 [1,0,0,1,0,0|0,0,0]=2 126 B10R1.27 COC(=O)CC1CCCN1 Z1945708482 [1,0,0,1,0,0|1,0,0]=3 127 B10R1.27 COC(=O)CN1CCCC1 Z57725199 [1,0,0,1,0,0|2,0,0]=4 128 B10R1.27 O=C(CCl)CC1CCCC1 Z1386913430 [1,0,0,1,0,0|2,0,0]=4 129 B10R1.99 CCC[C@@H]1C[C@H]1C(=O)CCl Z4463030910 [1,0,0,1,0,0|2,0,0]=4 130 B10R1.134 CCC(=O)CC(=O)C1CC1 Z361882656 [1,0,0,1,0,0|0,0,2]=4 131 B10R1.134 CNC(=O)CC(N)C1CC1 Z1651744904 [1,0,0,1,0,0|2,0,0]=4 132 B10R1.134 COC(=O)CC(N)C1CC1 Z1381260621 [1,0,0,1,0,0|1,0,0]=3 133 B10R1.149 COC(=O)C1CCCN1C Z905213162 [1,0,0,1,0,0|2,0,0]=4 134 B10R1.149 COC(=O)C1CCOC1C Z1263715989 [1,0,0,1,0,0|2,0,0]=4 135 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N Z2327884296 [1,0,0,1,0,0|1,0,0]=3 136 B10R1.149 COC(=O)[C@@H]1CNC[C@H]1C Z1955367646 [1,0,0,1,0,0|2,0,0]=4 137 B10R1.150 COC(=O)C[C@H]1C[C@@H](C1)N Z3753055726 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.150 COC(=O)C[C@H]1C[C@H](C1)N Z4066850457 [1,0,0,1,0,0|2,0,0]=4 139 B10R1.157 CC[C@@H]1C[C@@H]1CC(=O)CCl Z4994023133 [1,0,0,1,0,0|2,0,0]=4 140 B10R1.330 CC1CNC(=O)CC(C1)C Z1203735002 [1,0,0,1,0,0|2,0,0]=4 141 B10R1.429 COC(=O)CC1(CCC1)N Z1255384828 [1,0,0,1,0,0|1,0,0]=3 142 B10R1.429 COC(=O)CC1(CNC1)C Z5880541983 [1,0,0,1,0,0|2,0,0]=4 143 B10R1.4 CCCC1NCCNC1=O Z978935024 [0,0,0,1,1,0|2,0,0]=4 144 B10R1.212 CCOC(=O)C(N)C1CC1 Z1266933831 [0,0,0,1,1,0|1,0,0]=3 145 B10R1.212 CCOC(=O)C(O)C1CC1 Z965048424 [0,0,0,1,1,0|0,0,0]=2 146 B12R1.17 CCOC(=O)C1CCCN(C1)C Z103734946 [0,0,0,1,0,1|2,0,0]=4 147 B12R1.17 CCOC(=O)N1CCCC(C1)O Z371626250 [0,0,0,1,0,1|0,0,0]=2 148 B12R1.51 CCOC(=O)CCN1CCCC1 Z53116274 [0,0,0,1,0,1|2,0,0]=4 149 B12R1.51 CCOC(=O)CNC1CCCC1 Z235648984 [0,0,0,1,0,1|1,0,0]=3 150 B12R1.51 CSCC(=O)NCC1CCCO1 Z31489476 [0,0,0,1,0,1|2,0,0]=4 151 B12R1.318 CNCC(O)CN1CCCC1=O Z235355431 [0,0,0,1,0,1|2,0,0]=4 152 B12R1.260 CC(C)NC(=O)CC1CCCC1 Z31386054 [0,1,0,1,0,0|2,0,0]=4 153 B12R1.32 CCOC(=O)CC1CCCCN1 Z3401842121 [0,1,0,1,0,0|1,0,0]=3 154 B12R1.32 CCOC(=O)CC1CCCNC1 Z1954800624 [0,1,0,1,0,0|1,0,0]=3 155 B12R1.32 CCOC(=O)CN1CCNCC1 Z169856678 [0,1,0,1,0,0|2,0,0]=4 156 B12R1.32 CCOC(=O)NC1CCCNC1 Z285141442 [0,1,0,1,0,0|2,0,0]=4 157 B12R1.32 CCOC(=O)NC1CCNCC1 Z839028600 [0,1,0,1,0,0|2,0,0]=4 158 B12R1.53 CCONC(=O)CC1CCCC1 Z254323166 [0,1,0,1,0,0|1,0,0]=3 159 B12R1.53 NCCNC(=O)CC1CCCC1 Z259720756 [0,1,0,1,0,0|2,0,0]=4 160 B12R1.308 CCOC(=O)C1CCCCC1=O Z104495370 [0,1,0,1,0,0|0,0,2]=4 161 B12R1.308 CCOC(=O)C1CCCCN1C Z104478932 [0,1,0,1,0,0|2,0,0]=4 162 B12R1.308 CCOC(=O)C1CCCNC1=O Z381545700 [0,1,0,1,0,0|0,0,2]=4 163 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Z2234185617 [0,1,0,1,0,0|1,0,0]=3 164 B12R1.1589 CCOC(=O)C1C(=O)CCC1C Z1318186949 [0,1,0,1,0,0|0,0,2]=4 165 B12R1.55 CCOC(=O)C(O)C1CCCC1 Z965047858 [0,1,0,1,0,0|1,0,0]=3 166 B12R1.55 CCOC(=O)C(O)C1CCOC1 Z965048082 [0,1,0,1,0,0|2,0,0]=4 167 B12R1.1446 CCOC(=O)C(Cl)C(=O)C1CC1 Z1262509310 [0,1,0,1,0,0|0,0,2]=4 168 B12R1.316 CCOC(=O)C1CCCN1C#N Z1649347498 [0,1,0,1,0,0|2,0,0]=4 169 B12R1.520 CCOC(=O)CC(=O)C1(CC1)C Z1395254572 [0,1,0,1,0,0|0,0,2]=4 170 B12R2.1153 O=C1CC2CCCC(C1)(C2)O Z1255491219 [0,0,0,2,0,0|1,0,0]=3 171 B12R2.19 N[C@@]12CCCC[C@@H]1NC(=O)C2 Z2940252447 [0,0,0,2,0,0|2,0,0]=4 172 B12R2.594 O=C1CC2CCCC(C2)CN1 Z1509223166 [0,0,0,2,0,0|2,0,0]=4 173 B12R2.594 O=C1CC2CCCC(N2)CN1 Z3324747518 [0,0,0,2,0,0|2,0,0]=4 174 B12R2.2028 NC1CC(=O)N2C1CCCC2 Z1209427230 [0,0,0,2,0,0|2,0,0]=4 175 B12R2.5478 O=C1CC2(CCC2)NCCN1 Z2682008766 [0,0,0,2,0,0|2,0,0]=4 176 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [1,0,0,0,1,0|1,0,0]=3 177 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [1,0,0,0,1,0|2,0,0]=4 178 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [1,0,0,0,1,0|1,0,0]=3 179 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [1,0,0,0,1,0|2,0,0]=4 180 B8R0.3 CCOC(=O)C(C)CO Z852748566 [1,0,0,0,1,0|2,0,0]=4 181 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [1,0,0,0,1,0|2,0,0]=4 182 B8R0.3 COC(=O)C(C)CCN Z3025061158 [1,0,0,0,1,0|2,0,0]=4