0 B9R0.15 C=CCC(CC=C)C(=O)O Z1198157966 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.15 CC(=O)N(CCO)CCO Z797582614 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.15 CCCC(CCC)C(=O)N Z995089344 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.15 NC(=O)N(CCO)CCO Z797584932 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.22 CCCC(CN)CCO Z1269766401 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.23 C=CCC(CC(C)C)C(=O)O Z1262513795 [0,1,0,0,0,0|0,0,2]=3 16 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [0,1,0,0,0,0|1,0,1]=3 17 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [0,1,0,0,0,0|1,0,0]=2 19 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.73 CCCC(CCC)C(=O)OC Z1506716396 [0,1,0,0,0,0|0,0,0]=1 21 B10R0.73 CCCN(CCC)C(=O)CC Z31777434 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.73 CCCN(CCC)C(=O)CO Z431953122 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.88 CCCC(CCCO)C(=O)[O-] Z2182115387 [0,1,0,0,0,0|0,0,1]=2 24 B10R0.103 CCCC(C)(CCC)C(=O)O Z995181442 [0,1,0,0,0,0|0,0,0]=1 25 B10R1.4 C#CCC1CCCNC1=O Z1203747731 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.4 CCCC1CCCCC1O Z854050598 [0,0,0,1,0,0|1,0,1]=3 27 B10R1.4 CCCC1NCCNC1=O Z978935024 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.4 NCCN1CCCOC1=O Z3244908592 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.4 NCC[C@@H]1CCCC[C@@H]1O Z2915288574 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.4 NCC[C@@H]1CCCC[C@H]1O Z3993260243 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.4 O=C1CCCCN1CCO Z425794954 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.4 O=C1NCCCC1CCO Z1203749596 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.4 O=C1NCCCN1CCO Z1203733014 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.4 O=C1NCCNC1CCO Z336080888 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.39 CC(=O)N1CCCC1CN Z5184060281 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,0,0,1,0,0|0,0,0]=1 37 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,0,0,1,0,0|1,0,0]=2 38 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [0,0,0,1,0,0|1,0,0]=2 39 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [0,0,0,1,0,0|1,0,0]=2 40 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,0,0,1,0,0|1,0,0]=2 41 B10R1.39 NC(=O)N1CCC[C@H]1CO Z1203582422 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.39 NCC1OCCC1C(=O)O Z2237698503 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.58 CN1CC(CC1=O)C(=O)O Z57472350 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [0,0,0,1,0,0|1,0,0]=2 47 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,0,0,1,0,0|2,0,0]=3 48 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,0,0,1,0,0|2,0,0]=3 49 B10R1.58 O=C(O)C1C[C@@H]([C@H](C1)Br)Br Z540724856 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,0,0,1,0,0|2,0,0]=3 51 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.113 CC(=O)N1CCN[C@@H](C1)C Z1766227743 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,0,0,1,0,0|2,0,0]=3 55 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,0,0,1,0,0|1,0,0]=2 56 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,0,0,1,0,0|1,0,0]=2 57 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,0,1,0,0|0,0,0]=1 58 B10R1.113 CC1CCCC(C1)C(C)N Z878758262 [0,0,0,1,0,0|2,0,1]=4 59 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,1,0,0|1,0,0]=2 60 B10R1.113 CC1CCCN(C1)C(=N)N Z161286934 [0,0,0,1,0,0|3,0,0]=4 61 B10R1.113 CC1CCCN(C1)C(=O)N Z198194364 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,0,0,1,0,0|1,0,0]=2 63 B10R1.113 CC1CCNC(C1)C(C)O Z1197886054 [0,0,0,1,0,0|2,0,1]=4 64 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,0,0,1,0,0|2,0,0]=3 65 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,0,1,0,0|1,0,0]=2 67 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,0,0,1,0,0|2,0,0]=3 68 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,1,0,0|1,0,0]=2 69 B10R1.113 C[C@@H]1CNCC(O1)C(=O)N Z1413022387 [0,0,0,1,0,0|3,0,0]=4 70 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,0,0,1,0,0|1,0,0]=2 71 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,0,0,1,0,0|1,0,0]=2 72 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,0,0,1,0,0|3,0,0]=4 73 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,0,0,1,0,0|1,0,0]=2 74 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,0,0,1,0,0|1,0,0]=2 75 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,0,0,1,0,0|1,0,2]=4 76 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,0,0,1,0,0|1,0,0]=2 77 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,1,0,0|1,0,0]=2 78 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,0,0,1,0,0|2,0,1]=4 79 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,0,1,0,0|2,0,1]=4 80 B10R1.130 CCCN1CC(CC1=O)N Z2418193630 [0,0,0,1,0,0|3,0,0]=4 81 B10R1.133 CNCC1CCCS1(=O)=O Z4219939330 [0,0,0,1,0,0|2,0,1]=4 82 B10R1.133 NCCC1CCCS1(=O)=O Z2681242378 [0,0,0,1,0,0|2,0,1]=4 83 B10R1.133 O=S1(=O)CCCC1CCO Z3302049023 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,0,0,1,0,0|1,0,0]=2 85 B10R1.348 CC(=O)N1CCCCCC1 Z31431946 [0,0,0,1,0,0|2,0,0]=3 86 B10R1.348 CC(=O)N1CCCNCC1 Z166645986 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.348 CC(=O)N1CCCOCC1 Z929561102 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.348 CC(O)C1CCCCCC1 Z1259295583 [0,0,0,1,0,0|1,0,1]=3 89 B10R1.348 C[C@@H](N)C1CCCCCC1 Z1664966379 [0,0,0,1,0,0|2,0,1]=4 90 B10R1.348 C[C@@H](O)C1CCCCCC1 Z1259297220 [0,0,0,1,0,0|1,0,1]=3 91 B10R1.348 C[C@H](N)C1CCCCCC1 Z1675167214 [0,0,0,1,0,0|2,0,1]=4 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Z352782862 [0,0,0,0,0,1|0,0,0]=1 108 B10R0.79 CCOC(CC(=O)N)OCC Z1262625808 [0,0,0,0,0,1|3,0,0]=4 109 B10R0.79 CCOC(CC(=O)O)OCC Z1198167137 [0,0,0,0,0,1|2,0,0]=3 110 B10R0.79 O=C(O)CN(CCO)CCO Z336127920 [0,0,0,0,0,1|3,0,0]=4 111 B7R0.5 CC(CCN)C(=O)O Z2298167292 [2,0,0,0,0,0|1,0,0]=3 112 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|0,0,0]=2 113 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|1,0,0]=3 115 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|1,0,0]=3 116 B7R0.5 CCNC(C)C(=O)O Z3181996310 [2,0,0,0,0,0|1,0,0]=3 117 B7R0.5 CCOC(C)C(=O)O Z316258934 [2,0,0,0,0,0|1,0,0]=3 118 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|1,0,0]=3 119 B7R0.5 COCC(C)C(=O)O Z431541094 [2,0,0,0,0,0|1,0,0]=3 120 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.5 CSCC(C)C(=O)O Z732206684 [2,0,0,0,0,0|1,0,0]=3 122 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.12 CCCC(CO)OC Z2050356185 [2,0,0,0,0,0|1,0,1]=4 131 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [2,0,0,0,0,0|1,0,1]=4 132 B7R0.15 CCC(CC)C(=N)N Z3221365874 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.15 CCC(CC)C(=O)N Z365255920 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.15 CCC(CC)C(=S)N Z336081440 [2,0,0,0,0,0|1,1,0]=4 135 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [2,0,0,0,0,0|1,0,1]=4 136 B7R0.15 CCC(NC)C(=O)O Z818727142 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.15 CCC(OC)C(=O)O Z449367058 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.15 CCC(SC)C(=O)O Z732206700 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.15 CNC(CN)C(=O)O Z1982493964 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.15 COC(CN)C(=O)O Z1603778808 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.15 NCC(CN)C(=O)O Z5183354524 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.7 CCCC(C)CCN Z2768767726 [2,0,0,0,0,0|1,0,1]=4 143 B7R0.7 CCCC(C)CNC Z3214687920 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.7 CCCC(O)CCO Z1198158209 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.7 CNCC(O)COC Z406679976 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.7 COCC(O)CCN Z1182310348 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.7 NCCC(O)CCN Z4497194547 [2,0,0,0,0,0|2,0,0]=4 148 B9R0.12 C#CCC(CC)C(=O)OC Z1416180690 [1,1,0,0,0,0|0,0,2]=4 149 B9R0.12 CCNC(CC)C(=O)OC Z2903872428 [1,1,0,0,0,0|1,0,0]=3 150 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [1,1,0,0,0,0|0,0,0]=2 151 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [1,1,0,0,0,0|1,0,0]=3 152 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [1,1,0,0,0,0|0,0,0]=2 153 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [1,1,0,0,0,0|1,0,0]=3 154 B9R0.29 CCC(C(=O)O)C(=O)OC Z1205494591 [1,1,0,0,0,0|1,0,1]=4 155 B9R0.29 CCC(C)C(CC)C(=O)N Z1198155509 [1,1,0,0,0,0|1,0,0]=3 156 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [1,1,0,0,0,0|1,0,0]=3 157 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [1,1,0,0,0,0|0,0,0]=2 158 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [1,1,0,0,0,0|1,0,0]=3 159 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [1,1,0,0,0,0|1,0,0]=3 161 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [1,1,0,0,0,0|2,0,0]=4 162 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [1,1,0,0,0,0|2,0,0]=4 163 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [1,1,0,0,0,0|1,0,1]=4 165 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [1,1,0,0,0,0|0,0,0]=2 166 B9R0.39 CCC(CC(F)F)C(=O)O Z1321943682 [1,1,0,0,0,0|1,0,0]=3 167 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [1,1,0,0,0,0|1,0,0]=3 168 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [1,1,0,0,0,0|1,0,0]=3 169 B9R0.74 CCC(C)(COC)C(=O)O Z1627075139 [1,1,0,0,0,0|1,0,0]=3 170 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [1,1,0,0,0,0|1,0,0]=3 171 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [1,1,0,0,0,0|2,0,0]=4 172 B9R0.74 COCC(C)(CN)C(=O)O Z5935120070 [1,1,0,0,0,0|2,0,0]=4 173 B9R0.17 CCCC(CCC)CCN Z5102110220 [1,1,0,0,0,0|1,0,1]=4 174 B9R0.40 CCCCC(CN)CCC Z992309480 [1,1,0,0,0,0|1,0,1]=4 175 B9R0.40 CCCCN(CCC)N=O Z1198147488 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.59 CCCC(O)(CN)CCC Z419084760 [1,1,0,0,0,0|1,0,1]=4 177 B11R0.352 CCCC(O)(CCC)CC(=O)O Z982131968 [0,1,0,0,0,1|0,0,0]=2 178 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O Z56755951 [0,2,0,0,0,0|1,0,1]=4 179 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O Z756438860 [0,2,0,0,0,0|1,0,1]=4 180 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O Z851793110 [0,2,0,0,0,0|1,0,1]=4 181 B11R0.32 CC(C)CC(CC(C)C)C(=O)O Z756391138 [0,2,0,0,0,0|0,0,0]=2 182 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O Z98656805 [0,2,0,0,0,0|1,0,1]=4 183 B11R0.160 COCCC(NC(=O)C)C(=O)O Z979419978 [0,2,0,0,0,0|1,0,1]=4 184 B11R0.160 CSCCC(NC(=O)C)C(=O)O Z85883131 [0,2,0,0,0,0|1,0,1]=4 185 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O Z756444180 [0,2,0,0,0,0|1,0,1]=4 186 B11R0.236 CCC[C@@H](NC(=O)CN)C(=O)O Z3542998518 [0,2,0,0,0,0|1,0,1]=4 187 B11R0.61 CCOC(=O)C(OCC)OCC Z381787790 [0,2,0,0,0,0|2,0,0]=4 188 B11R0.78 CCCC(CCCCN)C(=O)O Z1993522747 [0,2,0,0,0,0|0,0,0]=2 189 B11R0.194 CCCC(CN)(CCC)C(=O)O Z3951679440 [0,2,0,0,0,0|0,0,0]=2 190 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [1,0,0,1,0,0|2,0,0]=4 194 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.6 CC(O)C1CCCCC1 Z445987098 [1,0,0,1,0,0|1,0,1]=4 197 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [1,0,0,1,0,0|1,0,1]=4 198 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [1,0,0,1,0,0|1,0,0]=3 200 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,0,0,1,0,0|2,0,0]=4 201 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [1,0,0,1,0,0|2,0,0]=4 202 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [1,0,0,1,0,0|2,0,0]=4 203 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [1,0,0,1,0,0|2,0,0]=4 204 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [1,0,0,1,0,0|2,0,0]=4 205 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,0,0,1,0,0|0,0,2]=4 206 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,1,0,0|0,0,2]=4 207 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|0,0,0]=2 208 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,0]=3 209 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,0,0,1,0,0|1,0,0]=3 210 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [1,0,0,1,0,0|1,0,0]=3 211 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|1,0,0]=3 212 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [1,0,0,1,0,0|1,0,0]=3 213 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [1,0,0,1,0,0|2,0,0]=4 214 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [1,0,0,1,0,0|1,0,0]=3 215 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [1,0,0,1,0,0|1,0,0]=3 216 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [1,0,0,1,0,0|1,0,0]=3 217 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,0,0,1,0,0|2,0,0]=4 218 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.6 O=C(O)C1COCCO1 Z362763682 [1,0,0,1,0,0|2,0,0]=4 221 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [1,0,0,1,0,0|2,0,0]=4 222 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,0]=3 224 B9R1.6 OB(O)C1CCCCC1 Z56789446 [1,0,0,1,0,0|1,0,1]=4 225 B9R1.15 CCC1CCCCC1O Z104476198 [1,0,0,1,0,0|1,0,1]=4 226 B9R1.15 CCC1CCCNC1=O Z1203731521 [1,0,0,1,0,0|1,0,0]=3 227 B9R1.15 CCC1NCCNC1=O Z57663834 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.15 CCN1CCCNC1=O Z1203733831 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.15 CNC1CCCNC1=O Z1795818556 [1,0,0,1,0,0|2,0,0]=4 230 B9R1.15 CSC1CCCCC1=O Z732208578 [1,0,0,1,0,0|2,0,0]=4 231 B9R1.15 NCC1CCCNC1=O Z2289798362 [1,0,0,1,0,0|2,0,0]=4 232 B9R1.15 O=C1NCCCC1CO Z1203732010 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.33 CCNC1CCNC1=O Z1998636522 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.33 O=C1CCCC1CCF Z1416228589 [1,0,0,1,0,0|2,0,0]=4 235 B9R1.33 O=C1NCCC1CCO Z1203745921 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.33 O=C1OCCN1CCO Z425795034 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.33 O=CCC1CCOC1=O Z1511761046 [1,0,0,1,0,0|1,0,1]=4 238 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [1,0,0,1,0,0|0,0,2]=4 239 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [1,0,0,1,0,0|0,0,0]=2 241 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [1,0,0,1,0,0|1,0,0]=3 242 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [1,0,0,1,0,0|1,0,0]=3 244 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,0,0,1,0,0|1,0,0]=3 246 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [1,0,0,1,0,0|2,0,0]=4 247 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [1,0,0,1,0,0|1,0,0]=3 249 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,0,0,1,0,0|0,0,2]=4 254 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|0,0,0]=2 255 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,0,0,1,0,0|1,0,0]=3 256 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,0,0,1,0,0|1,0,0]=3 257 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,0,0,1,0,0|1,0,0]=3 258 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,1,0,0|1,0,0]=3 259 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,1,0,0|1,0,0]=3 260 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [1,0,0,1,0,0|2,0,0]=4 261 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [1,0,0,1,0,0|2,0,0]=4 262 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [1,0,0,1,0,0|2,0,0]=4 263 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [1,0,0,1,0,0|2,0,0]=4 264 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|1,0,0]=3 265 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,0,0,1,0,0|2,0,0]=4 267 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|1,0,0]=3 268 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [1,0,0,1,0,0|2,0,0]=4 269 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|1,0,0]=3 270 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|1,0,0]=3 271 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [1,0,0,1,0,0|2,0,0]=4 272 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [1,0,0,1,0,0|1,0,0]=3 273 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [1,0,0,1,0,0|0,0,0]=2 274 B9R1.119 CCC1(COC1)C(=O)O Z1205656653 [1,0,0,1,0,0|1,0,0]=3 275 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [1,0,0,1,0,0|1,0,0]=3 276 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [1,0,0,1,0,0|1,0,0]=3 277 B9R1.119 N#CC1(CCC1)C(=O)O Z825761124 [1,0,0,1,0,0|1,0,1]=4 278 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [1,0,0,1,0,0|1,0,0]=3 279 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [1,0,0,1,0,0|1,0,0]=3 280 B9R1.130 CC1CC1(C#N)C(=O)O Z1650185273 [1,0,0,1,0,0|1,0,1]=4 281 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [1,0,0,1,0,0|1,0,0]=3 282 B9R1.179 C#CCC1(CC1)C(=O)O Z1321881090 [1,0,0,1,0,0|0,0,2]=4 283 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [1,0,0,1,0,0|0,0,0]=2 284 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [1,0,0,1,0,0|1,0,0]=3 285 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [1,0,0,1,0,0|2,0,0]=4 286 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [1,0,0,1,0,0|1,0,0]=3 287 B9R1.2 CC1CC(CCO1)CO Z1268632086 [1,0,0,1,0,0|1,0,1]=4 288 B9R1.2 CC1CCCC(C1)C#N Z415654834 [1,0,0,1,0,0|1,0,1]=4 289 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [1,0,0,1,0,0|0,0,0]=2 290 B9R1.2 CN1CCCC(C1)CO Z103740616 [1,0,0,1,0,0|1,0,1]=4 291 B9R1.2 CNC1CCCC(C1)C Z367452444 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.2 C[C@@H]1CCC[C@@H](N1)CO Z2738355370 [1,0,0,1,0,0|1,0,1]=4 293 B9R1.2 C[C@H]1C[C@H](CCN1)CO Z2102741286 [1,0,0,1,0,0|1,0,1]=4 294 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [1,0,0,1,0,0|1,0,0]=3 295 B9R1.8 CCCC1CCCCN1 Z1665033554 [1,0,0,1,0,0|2,0,0]=4 296 B9R1.8 CCCC1CCCNC1 Z1404660494 [1,0,0,1,0,0|1,0,1]=4 297 B9R1.8 CCCC1COCCN1 Z4607148847 [1,0,0,1,0,0|1,0,1]=4 298 B9R1.8 CCNC1CCCOC1 Z2432621390 [1,0,0,1,0,0|1,0,1]=4 299 B9R1.8 OCCC1CCCOC1 Z1198309922 [1,0,0,1,0,0|1,0,1]=4 300 B9R1.89 CNC1CCCCCC1 Z102766800 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.89 NCC1CCCCCC1 Z415655096 [1,0,0,1,0,0|1,0,1]=4 302 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [1,0,0,1,0,0|0,0,2]=4 303 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,0,1,0,0|0,0,0]=2 304 B9R1.89 O=CC1CCCOCC1 Z1268606450 [1,0,0,1,0,0|1,0,0]=3 305 B9R1.89 O=CC1COCCOC1 Z1813175634 [1,0,0,1,0,0|2,0,0]=4 306 B9R1.89 O=CN1CCCNCC1 Z104510266 [1,0,0,1,0,0|2,0,0]=4 307 B9R1.89 OCC1CCCCCC1 Z992928672 [1,0,0,1,0,0|0,0,1]=3 308 B9R1.89 OCC1CCCCNC1 Z1318147457 [1,0,0,1,0,0|1,0,1]=4 309 B9R1.175 CCCC1(CCC1)C#N Z1259282541 [1,0,0,1,0,0|1,0,1]=4 310 B9R1.175 CCCC1(CCC1)CN Z1415893927 [1,0,0,1,0,0|1,0,1]=4 311 B9R1.175 CCOC1(CCC1)C=O Z3243444616 [1,0,0,1,0,0|1,0,0]=3 312 B9R1.175 COCC1(CCC1)C=O Z1813175668 [1,0,0,1,0,0|1,0,0]=3 313 B9R1.175 COCC1(CCC1)CO Z1627199945 [1,0,0,1,0,0|1,0,1]=4 314 B9R1.182 CCCC1(CO1)CCC Z1020680076 [1,0,0,1,0,0|0,0,1]=3 315 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [0,0,0,1,0,1|1,0,0]=3 316 B11R1.57 O=C(O)CN1CCCC1CO Z817025854 [0,0,0,1,0,1|2,0,0]=4 317 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,0,0,1,0,1|0,0,0]=2 318 B11R1.157 CC1CCCN(C1)CC(=O)N Z54749656 [0,0,0,1,0,1|2,0,0]=4 319 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,0,0,1,0,1|1,0,0]=3 320 B11R1.157 CC1CNCC(O1)CC(=O)O Z3991477375 [0,0,0,1,0,1|2,0,0]=4 321 B11R1.157 CC1COCC(O1)CC(=O)O Z5033360121 [0,0,0,1,0,1|2,0,0]=4 322 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,0,0,1,0,1|1,0,0]=3 323 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,0,0,1,0,1|1,0,0]=3 324 B11R1.157 NC(=O)CC1CCCC(C1)N Z4439100400 [0,0,0,1,0,1|2,0,0]=4 325 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,0,0,1,0,1|1,0,0]=3 326 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,0,0,1,0,1|2,0,0]=4 327 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,0,0,1,0,1|1,0,1]=4 328 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,0,0,1,0,1|1,0,0]=3 329 B11R1.193 CCCC1CCCC1C(=O)O Z1434224393 [0,0,0,1,0,1|0,0,0]=2 330 B11R1.193 CCCC1CCNC1C(=O)O Z2217033073 [0,0,0,1,0,1|1,0,0]=3 331 B11R1.193 CCCN1CCCC1C(=O)O Z326520902 [0,0,0,1,0,1|1,0,0]=3 332 B11R1.193 COCC1CCCN1C(=O)N Z1216834025 [0,0,0,1,0,1|2,0,0]=4 333 B11R1.742 CC(=O)CN1CCCCCC1 Z56041634 [0,0,0,1,0,1|2,0,0]=4 334 B11R1.742 CC(=O)NC1CCCCCC1 Z32452010 [0,0,0,1,0,1|1,0,0]=3 335 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [0,0,0,1,0,1|1,0,0]=3 336 B11R1.742 NC(=O)CC1CCCNCC1 Z1746998025 [0,0,0,1,0,1|2,0,0]=4 337 B11R1.742 NC(=O)NC1CCCNCC1 Z3613001386 [0,0,0,1,0,1|2,0,0]=4 338 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,0,0,1,0,1|0,0,0]=2 339 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,0,0,1,0,1|1,0,0]=3 340 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [0,0,0,1,0,1|1,0,0]=3 341 B11R1.742 O=C(O)CN1CCCNCC1 Z1259161963 [0,0,0,1,0,1|2,0,0]=4 342 B11R1.771 CCOC1(CNC1)CC(=O)O Z5609403817 [0,0,0,1,0,1|2,0,0]=4 343 B11R1.74 CC(=O)C1CC(CC(C1)C)C Z1250005092 [0,1,0,1,0,0|1,0,0]=3 344 B11R1.74 CC(=O)N1C[C@@H](O[C@@H](C1)C)C Z1610022523 [0,1,0,1,0,0|2,0,0]=4 345 B11R1.74 CC1CC(CC(C1)C(=O)O)C Z1249998224 [0,1,0,1,0,0|0,0,0]=2 346 B11R1.74 CC1CN(CC(O1)C(=O)O)C Z2512632675 [0,1,0,1,0,0|2,0,0]=4 347 B11R1.74 CC1CS(=O)CC(N1)C(=O)O Z4053136472 [0,1,0,1,0,0|2,0,0]=4 348 B11R1.74 C[C@@H]1CN(C[C@@H](O1)C(=O)O)C Z2647353831 [0,1,0,1,0,0|2,0,0]=4 349 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,1,0,1,0,0|1,0,1]=4 350 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,1,0,0|1,0,1]=4 351 B11R1.74 C[C@H]1CC(C[C@H](O1)C)C(=O)O Z2733317950 [0,1,0,1,0,0|0,0,0]=2 352 B11R1.74 C[C@H]1CN(C[C@H](O1)C)C(=O)N Z1606911338 [0,1,0,1,0,0|2,0,0]=4 353 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [0,1,0,1,0,0|1,0,0]=3 354 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C)C(=O)O Z2688995654 [0,1,0,1,0,0|0,0,0]=2 355 B11R1.74 C[C@H]1C[C@H](C[C@H](O1)C)C(=O)O Z2894292333 [0,1,0,1,0,0|0,0,0]=2 356 B11R1.86 CN(C)CC1CCCCC1=O Z56770961 [0,1,0,1,0,0|2,0,0]=4 357 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [0,1,0,1,0,0|1,0,1]=4 358 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [0,1,0,1,0,0|1,0,1]=4 359 B11R1.178 CC(C)C1NCCC1C(=O)O Z2065788419 [0,1,0,1,0,0|1,0,0]=3 360 B11R1.178 CC(C)N1CCCC1C(=O)O Z424762070 [0,1,0,1,0,0|1,0,0]=3 361 B11R1.178 CC(C)[C@@H]1CCO[C@@H]1C(=O)O Z2310169937 [0,1,0,1,0,0|1,0,0]=3 362 B11R1.178 CC(C)[C@@H]1CNC[C@H]1C(=O)O Z2307018221 [0,1,0,1,0,0|1,0,0]=3 363 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [0,1,0,1,0,0|1,0,1]=4 364 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(F)F Z2307327965 [0,1,0,1,0,0|2,0,0]=4 365 B11R1.497 CC(=O)N1CCOCC(C1)C Z1510961091 [0,1,0,1,0,0|2,0,0]=4 366 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,1,0,0|1,0,1]=4 367 B11R1.730 CC1(CC(CCN1)C(=O)O)C Z3717120914 [0,1,0,1,0,0|1,0,0]=3 368 B11R1.730 CC1(CC(CCO1)C(=O)O)C Z1192344101 [0,1,0,1,0,0|1,0,0]=3 369 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [0,1,0,1,0,0|0,0,0]=2 370 B11R1.730 CC1(CCCC(O1)C(=O)O)C Z1836444615 [0,1,0,1,0,0|1,0,0]=3 371 B11R1.730 CC1(CCNC(C1)C(=O)O)C Z2306604258 [0,1,0,1,0,0|1,0,0]=3 372 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [0,1,0,1,0,0|1,0,0]=3 373 B11R1.730 CC1(CNCC(O1)C(=O)O)C Z3477046674 [0,1,0,1,0,0|2,0,0]=4 374 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,1,0,1,0,0|2,0,0]=4 375 B11R1.730 O=C(O)C1CC(CCN1)(F)F Z2311245126 [0,1,0,1,0,0|2,0,0]=4 376 B11R1.730 O=C(O)C1CCCC(C1)(F)F Z1222424911 [0,1,0,1,0,0|1,0,0]=3 377 B11R1.730 O=C(O)C1CNCC(C1)(F)F Z3301405365 [0,1,0,1,0,0|2,0,0]=4 378 B11R1.782 CSCC1(CC(C1)N)C(=O)O Z5144870349 [0,1,0,1,0,0|1,0,0]=3 379 B11R1.806 COCC(NC1CC1)C(=O)O Z1824511453 [0,1,0,1,0,0|1,0,0]=3 380 B11R1.929 CC(=O)CC1(CCC1)C(=O)O Z1836202432 [0,1,0,1,0,0|0,0,1]=3 381 B11R1.929 CC(C)CC1(CCC1)C(=O)O Z1255468300 [0,1,0,1,0,0|0,0,0]=2 382 B11R1.929 O=C(O)C1(CCC1)CC(F)F Z1321950442 [0,1,0,1,0,0|1,0,0]=3 383 B11R1.929 O=C(O)CC1(CCC1)C(=O)O Z1262513713 [0,1,0,1,0,0|1,0,1]=4 384 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [0,1,0,1,0,0|0,0,0]=2 385 B11R1.53 CCC1CCCCN1C(=O)N Z235248554 [0,1,0,1,0,0|2,0,0]=4 386 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [0,1,0,1,0,0|0,0,0]=2 387 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [0,1,0,1,0,0|1,0,0]=3 388 B11R1.53 CCN1CCOCC1C(=O)O Z1582264059 [0,1,0,1,0,0|1,0,0]=3 389 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [0,1,0,1,0,0|1,0,0]=3 390 B11R1.53 COC1CCNCC1C(=O)O Z4105034441 [0,1,0,1,0,0|1,0,0]=3 391 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Z2915026000 [0,1,0,1,0,0|1,0,0]=3 392 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [0,1,0,1,0,0|1,0,0]=3 393 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,1,0,1,0,0|0,0,0]=2 394 B11R1.143 O=C(O)C1CCCCNC1=O Z2732472146 [0,1,0,1,0,0|1,0,1]=4 395 B11R1.159 O=C(O)[C@H]1NCC[C@H]([C@H]1O)O Z4130211458 [0,1,0,1,0,0|2,0,0]=4 396 B11R1.167 CC1CC(C(CN1)C)C(=O)O Z3214138136 [0,1,0,1,0,0|1,0,0]=3 397 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,1,0,1,0,0|1,0,0]=3 398 B11R1.672 CC(=O)N1CC(C(C1C)C)C Z2357306229 [0,1,0,1,0,0|2,0,0]=4 399 B11R1.879 CNC(=O)C1(CCC1)C(=O)O Z951182618 [0,1,0,1,0,0|1,0,1]=4 400 B11R1.5 COCC1CCCCNC1=O Z1650040301 [0,1,0,1,0,0|2,0,0]=4 401 B11R1.23 CC1CCCN(C1)C(=O)CCl Z56862627 [0,1,0,1,0,0|2,0,0]=4 402 B11R1.23 CC1CCCN(C1)C(=O)CO Z228585534 [0,1,0,1,0,0|1,0,0]=3 403 B11R1.23 COC(=O)C1CC(CCN1)C Z1723897915 [0,1,0,1,0,0|1,0,0]=3 404 B11R1.23 COC(=O)C1CCCC(=O)C1 Z1198183330 [0,1,0,1,0,0|1,0,1]=4 405 B11R1.23 COC(=O)C1CCCC(C1)O Z1255439712 [0,1,0,1,0,0|1,0,0]=3 406 B11R1.23 COC(=O)C1CNCC(C1)O Z2418193698 [0,1,0,1,0,0|2,0,0]=4 407 B11R1.23 COC(=O)N1CCCC(C1)N Z802635858 [0,1,0,1,0,0|2,0,0]=4 408 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N Z2306922211 [0,1,0,1,0,0|1,0,0]=3 409 B11R1.23 COC(=O)[C@@H]1CCN[C@@H](C1)C Z2309778197 [0,1,0,1,0,0|1,0,0]=3 410 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O1)C Z2451443961 [0,1,0,1,0,0|2,0,0]=4 411 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C1)O Z3378261893 [0,1,0,1,0,0|2,0,0]=4 412 B11R1.59 COC(=O)C1CCOC1CN Z5011974372 [0,1,0,1,0,0|2,0,0]=4 413 B11R1.59 COC(=O)[C@@H]1CNC[C@H]1OC Z5017266819 [0,1,0,1,0,0|2,0,0]=4 414 B11R1.768 COC(=O)C1(CCC1)CC=O Z2694744316 [0,1,0,1,0,0|1,0,1]=4 415 B11R1.768 COC(=O)C1(CCC1)CCN Z3681787656 [0,1,0,1,0,0|1,0,0]=3 416 B11R1.852 COC(=O)C1CCCCCN1 Z2232973413 [0,1,0,1,0,0|1,0,0]=3 417 B11R1.852 COC(=O)C1CCCNCC1 Z2941372190 [0,1,0,1,0,0|1,0,0]=3 418 B11R1.852 COC(=O)C1CCNCCN1 Z1269232100 [0,1,0,1,0,0|2,0,0]=4 419 B11R1.852 COC(=O)N1CCCNCC1 Z319610130 [0,1,0,1,0,0|2,0,0]=4 420 B11R1.852 O=C(CCl)C1CCCCCC1 Z1238572144 [0,1,0,1,0,0|1,0,0]=3 421 B11R1.852 O=C(CCl)N1CCCCCC1 Z56862394 [0,1,0,1,0,0|2,0,0]=4 422 B11R1.852 O=C(CO)N1CCCCCC1 Z228585382 [0,1,0,1,0,0|1,0,0]=3 423 B11R1.17 C/C=C/CC1CCCNC1=O Z2649686777 [0,1,0,1,0,0|1,0,1]=4 424 B11R1.17 CCCCC1NCCNC1=O Z978935228 [0,1,0,1,0,0|2,0,0]=4 425 B11R1.17 O=C1CCCCN1CCCO Z425794956 [0,1,0,1,0,0|2,0,0]=4 426 B11R1.21 CC(=O)N1CCC(C(C1)C)N Z1457415458 [0,1,0,1,0,0|2,0,0]=4 427 B11R1.21 CC1=C(CC(CC1)C(=O)O)C Z1198156483 [0,1,0,1,0,0|0,0,1]=3 428 B11R1.21 CC1CC(CCC1=O)C(=O)O Z1262513284 [0,1,0,1,0,0|0,0,1]=3 429 B11R1.21 CC1CCC(CC1C)C(=O)O Z1250017822 [0,1,0,1,0,0|0,0,0]=2 430 B11R1.21 CC1CCC(CC1N)C(=O)O Z1262537169 [0,1,0,1,0,0|1,0,0]=3 431 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [0,1,0,1,0,0|1,0,0]=3 432 B11R1.21 CN1CC(CCC1=O)C(=O)O Z765034166 [0,1,0,1,0,0|1,0,1]=4 433 B11R1.21 C[C@@H]1CN[C@@H](C[C@@H]1C)C(=O)O Z4076052338 [0,1,0,1,0,0|0,0,0]=2 434 B11R1.21 C[C@@H]1C[C@@H](CCN1C)C(=O)O Z2309899010 [0,1,0,1,0,0|0,0,0]=2 435 B11R1.21 NC1CC(CCC1O)C(=O)O Z4296875227 [0,1,0,1,0,0|1,0,0]=3 436 B11R1.21 O=C(O)[C@H]1C[C@@H]([C@@H](CO1)O)O Z3664725069 [0,1,0,1,0,0|2,0,0]=4 437 B11R1.48 CCN1CC(CC1=O)C(=O)O Z111495996 [0,1,0,1,0,0|1,0,1]=4 438 B11R1.64 CC[C@@H]1[C@H](CCN1C)C(=O)O Z2418213031 [0,1,0,1,0,0|0,0,0]=2 439 B11R1.81 CCCC1CCC(=O)NC1=O Z1198160343 [0,1,0,1,0,0|1,0,1]=4 440 B11R1.230 CC1CC(C(=O)O1)SCCO Z292822142 [0,1,0,1,0,0|1,0,0]=3 441 B11R1.266 CC(=O)N1CCCC(C1)CN Z1456458952 [0,1,0,1,0,0|2,0,0]=4 442 B11R1.266 CC(=O)N1CCCC(C1)CO Z275731866 [0,1,0,1,0,0|2,0,0]=4 443 B11R1.266 CCC1CC(CCO1)C(=O)O Z1192344099 [0,1,0,1,0,0|1,0,0]=3 444 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,1,0,1,0,0|0,0,0]=2 445 B11R1.266 CCN1CCCC(C1)C(=O)O Z763029984 [0,1,0,1,0,0|0,0,0]=2 446 B11R1.266 CCN1CCOC(C1)C(=O)O Z1459939099 [0,1,0,1,0,0|1,0,0]=3 447 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [0,1,0,1,0,0|1,0,0]=3 448 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [0,1,0,1,0,0|0,0,0]=2 449 B11R1.266 COC1CCNC(C1)C(=O)O Z2768171860 [0,1,0,1,0,0|1,0,0]=3 450 B11R1.266 COC1CNCC(C1)C(=O)O Z5209028633 [0,1,0,1,0,0|1,0,0]=3 451 B11R1.266 N#CC1CCCC(C1)C(=O)O Z1515406065 [0,1,0,1,0,0|0,0,1]=3 452 B11R1.266 N#C[C@H]1CCC[C@H](C1)C(=O)O Z4790589241 [0,1,0,1,0,0|0,0,1]=3 453 B11R1.266 NCC1CC(CCO1)C(=O)O Z5712882945 [0,1,0,1,0,0|1,0,0]=3 454 B11R1.266 NCC1CCCN(C1)C(=O)N Z2083000180 [0,1,0,1,0,0|2,0,0]=4 455 B11R1.565 NC1CCCC(CC1)C(=O)O Z3478634516 [0,1,0,1,0,0|0,0,0]=2 456 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,1,0,1,0,0|1,0,1]=4 457 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [0,1,0,1,0,0|0,0,0]=2 458 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,1,0,1,0,0|0,0,0]=2 459 B11R1.905 COCCC1(CCC1)C(=O)O Z1258911895 [0,1,0,1,0,0|0,0,0]=2 460 B11R1.905 NC(=O)C1(CCC1)OCCO Z3032557463 [0,1,0,1,0,0|2,0,0]=4 461 B11R1.905 O=C(O)C1(CCC1)NCCO Z1436310166 [0,1,0,1,0,0|1,0,0]=3 462 B11R1.1239 C#CCC1(CCCN1)C(=O)O Z1509011697 [0,1,0,1,0,0|0,0,2]=4 463 B11R1.1239 CCOC1(CCCC1)C(=O)O Z803492470 [0,1,0,1,0,0|1,0,0]=3 464 B11R1.1239 COCC1(CC=CC1)C(=O)O Z2472508417 [0,1,0,1,0,0|1,0,1]=4 465 B11R1.1239 COCC1(CCCC1)C(=O)O Z1251362857 [0,1,0,1,0,0|1,0,0]=3 466 B11R1.1239 COCC1(CCCN1)C(=O)O Z2186883213 [0,1,0,1,0,0|1,0,0]=3 467 B11R1.1239 COCC1(CCNC1)C(=O)O Z2381575910 [0,1,0,1,0,0|1,0,0]=3 468 B11R1.1239 COCC1(CCOC1)C(=O)O Z1627075152 [0,1,0,1,0,0|1,0,0]=3 469 B11R1.1239 NCCC1(CCCC1)C(=O)O Z5183186013 [0,1,0,1,0,0|1,0,0]=3 470 B11R1.667 CC1(CC(CCO1)N)C(=O)O Z2830783135 [0,1,0,1,0,0|2,0,0]=4 471 B11R1.667 CC1CC(CCO1)(C)C(=O)O Z2690351087 [0,1,0,1,0,0|1,0,0]=3 472 B11R1.667 CC1CC(CCO1)(N)C(=O)O Z3006084661 [0,1,0,1,0,0|1,0,0]=3 473 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,1,0,1,0,0|0,0,0]=2 474 B11R1.737 CC1(CCCCCC1)C(=O)O Z1255397317 [0,1,0,1,0,0|0,0,0]=2 475 B11R1.737 NC(=O)C1(CCCCCC1)N Z285201190 [0,1,0,1,0,0|1,0,0]=3 476 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [0,1,0,1,0,0|0,0,0]=2 477 B11R1.737 O=C(O)C1(CCCCCC1)O Z787969976 [0,1,0,1,0,0|0,0,0]=2 478 B11R1.774 CCCC1(NCCNC1=O)C Z978935124 [0,1,0,1,0,0|2,0,0]=4 479 B11R1.774 COCC1(CCCNC1=O)C Z3067325954 [0,1,0,1,0,0|2,0,0]=4 480 B11R2.55 O=C1CCCCC1C2CC2 Z1233201574 [0,0,0,2,0,0|1,0,0]=3 481 B11R2.106 O=C1NCCN2C1CCC2 Z336079880 [0,0,0,2,0,0|2,0,0]=4 482 B11R2.106 O=C1NCC[C@H]2[C@@H]1CCO2 Z2309893036 [0,0,0,2,0,0|2,0,0]=4 483 B11R2.357 O=C1CCC2CCCN1C2 Z1509062698 [0,0,0,2,0,0|2,0,0]=4 484 B11R2.357 O=C1CCC2CCNC1C2 Z3013817851 [0,0,0,2,0,0|2,0,0]=4 485 B11R2.357 O=C1NCC2CCCC1N2 Z3487940635 [0,0,0,2,0,0|2,0,0]=4 486 B11R2.370 O=C1NCCCC12CNC2 Z1198309866 [0,0,0,2,0,0|2,0,0]=4 487 B11R2.370 O=C1NCCNC12CCC2 Z1198172690 [0,0,0,2,0,0|2,0,0]=4 488 B11R2.370 O=C1NCCSC12CCC2 Z4643636799 [0,0,0,2,0,0|2,0,0]=4 489 B11R2.565 O=C1C2CCCC1CCC2 Z1259338820 [0,0,0,2,0,0|1,0,0]=3 490 B11R2.565 O=C1C2CCCC1COC2 Z1509060896 [0,0,0,2,0,0|2,0,0]=4 491 B11R2.142 NC(=O)C1CNCC12CC2 Z4947231444 [0,0,0,2,0,0|2,0,0]=4 492 B11R2.142 O=C(O)C1CCNC12CC2 Z3615239173 [0,0,0,2,0,0|1,0,0]=3 493 B11R2.819 O=C(O)[C@]12CC[C@H]1CCN2 Z3181907870 [0,0,0,2,0,0|1,0,0]=3 494 B11R2.819 O=C(O)[C@]12CC[C@H]1CNC2 Z2940617658 [0,0,0,2,0,0|1,0,0]=3 495 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 Z3484275452 [0,0,0,2,0,0|1,0,0]=3 496 B11R2.845 CC(=O)C1CC2CCC1C2 Z1386913059 [0,0,0,2,0,0|1,0,0]=3 497 B11R2.845 CC(=O)C1CC2CCC1O2 Z1201052692 [0,0,0,2,0,0|2,0,0]=4 498 B11R2.845 O=C(O)C1CC2C=CC1C2 Z104495016 [0,0,0,2,0,0|0,0,2]=4 499 B11R2.845 O=C(O)C1CC2CCC1C2 Z147433488 [0,0,0,2,0,0|0,0,0]=2 500 B11R2.845 O=C(O)C1CC2CCC1N2 Z2899600133 [0,0,0,2,0,0|1,0,0]=3 501 B11R2.845 O=C(O)C1CN2CCC1C2 Z1262558196 [0,0,0,2,0,0|1,0,0]=3 502 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 Z3301415369 [0,0,0,2,0,0|1,0,0]=3 503 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1C2 Z2507795603 [0,0,0,2,0,0|0,0,2]=4 504 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 Z1197865945 [0,0,0,2,0,0|1,0,0]=3 505 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1OCCC2 Z3002935457 [0,0,0,2,0,0|1,0,0]=3 506 B11R2.1852 O=C(O)[C@H]1[C@@H]2[C@H]1CCNC2 Z4605254163 [0,0,0,2,0,0|1,0,0]=3 507 B11R2.814 O=C(O)C1CC2C1CCC2 Z1509040895 [0,0,0,2,0,0|0,0,0]=2 508 B11R2.612 N[C@@H]1C[C@@H]([C@@H]2[C@H]1C2)C(=O)O Z2896140319 [0,0,0,2,0,0|1,0,0]=3 509 B11R2.842 CC(=O)N1C[C@H]2CC[C@H]2C1 Z2935757132 [0,0,0,2,0,0|2,0,0]=4 510 B11R2.818 C[C@@]12CNC[C@@]1(C2)C(=O)O Z4120110312 [0,0,0,2,0,0|1,0,0]=3 511 B11R2.839 O=C(O)C1CCC2CC2C1 Z1509040982 [0,0,0,2,0,0|0,0,0]=2 512 B11R2.1826 O=C(O)C12CNCC(C1)C2 Z3244821611 [0,0,0,2,0,0|1,0,0]=3 513 B11R2.837 O=C(O)C(C1CC1)C2CC2 Z792377296 [0,0,0,2,0,0|0,0,0]=2 514 B11R2.711 O=C1NC2C1CCCCC2 Z1203733441 [0,0,0,2,0,0|1,0,0]=3 515 B11R2.813 CC(=O)C12CCCCC1O2 Z1513596244 [0,0,0,2,0,0|2,0,0]=4 516 B11R2.813 NC(=O)[C@]12C[C@H]1CCCN2 Z2941534151 [0,0,0,2,0,0|2,0,0]=4 517 B11R2.813 O=C(O)C12CCCCC1C2 Z1205497757 [0,0,0,2,0,0|0,0,0]=2 518 B11R2.813 O=C(O)[C@]12C[C@H]1CCCN2 Z2896884384 [0,0,0,2,0,0|1,0,0]=3