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B7R0.1 COCCCCC#N Z815260498 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.1 COCCCCCN Z608347192 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.1 COCCCCCO Z993012416 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.1 COCCNCCF Z2512872814 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 COCCNCCN Z2940670642 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.1 COCCNCCO Z266088374 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.1 COCCOCC#N Z295206426 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.1 COCCOCCN Z285178622 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.1 COCCOCCO Z849748688 [1,0,0,0,0,0|0,0,0]=1 28 B7R0.1 CSCCCCC#N Z823282284 [1,0,0,0,0,0|2,1,0]=4 29 B7R0.1 CSCCCCCN Z823285026 [1,0,0,0,0,0|2,1,0]=4 30 B7R0.1 CSCCCCCO Z968557058 [1,0,0,0,0,0|1,1,0]=3 31 B7R0.1 CSCCCCSC Z1198148193 [1,0,0,0,0,0|0,2,0]=3 32 B7R0.1 N#CCCNCCO Z53116581 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.1 NCCOCCCO Z2044949087 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.1 OCCCCCCBr Z1255398867 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.1 OCCCCCCO Z104473540 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.1 OCCCNCCO Z104654390 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.1 OCCCOCCO Z1373668758 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.1 OCCCSCCO Z149155194 [1,0,0,0,0,0|2,1,0]=4 39 B9R0.2 CC(C)CCOCCC#N Z317037852 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.2 COCCNCCC(=O)O Z53116030 [0,1,0,0,0,0|3,0,0]=4 41 B9R0.2 COCCOCCC(=O)O Z316259200 [0,1,0,0,0,0|2,0,0]=3 42 B9R0.5 CNCC(=O)NCCOC Z46191422 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.5 COCCOC(=O)CC#N Z104479724 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.18 CCCCC(N)CCCC Z5099120554 [0,1,0,0,0,0|3,0,0]=4 45 B9R0.18 COCCN(C)CCCN Z319975860 [0,1,0,0,0,0|3,0,0]=4 46 B9R0.45 CCCCCCCCCO Z104476100 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.45 CCCCOCCCCO Z993012624 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.45 CNCCOCCCOC Z839536458 [0,1,0,0,0,0|1,0,0]=2 49 B9R0.45 COCCCNCCOC Z235637138 [0,1,0,0,0,0|1,0,0]=2 50 B9R0.45 COCCOCCCCN Z285178626 [0,1,0,0,0,0|1,0,0]=2 51 B9R0.46 CCCCCCC(C)OC Z1416182763 [0,1,0,0,0,0|2,0,0]=3 52 B9R0.46 CCCCCCC(N)CC Z5869944669 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.4 CNC[C@@H]1CC[C@H]1OC Z5183373543 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.8 C#CCC1CNCCO1 Z4381345958 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.8 C#CCC1COCCN1 Z3826375267 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.8 CCCC1CCCCN1 Z1665033554 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.8 CCCC1CCCNC1 Z1404660494 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.8 CCCC1CNCCN1 Z1203732978 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.8 CCCC1CNCCO1 Z1203829779 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.8 CCCC1COCCN1 Z4607148847 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.8 CCNC1CCCOC1 Z2432621390 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.8 CNCC1CCCCC1 Z102767074 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.8 COCC1C=CCCN1 Z4080639654 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.8 COCC1CCCCN1 Z2238934630 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.8 COCC1CCCNC1 Z317037142 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.8 COCC1CCNCC1 Z1267773745 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.8 COCC1CNCCO1 Z1171972187 [0,0,0,1,0,0|1,0,0]=2 68 B9R1.8 NCCC1CCCCO1 Z432420620 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.8 O=CCC1CCCCO1 Z1511748073 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.8 O=CCC1CCCOC1 Z1198309923 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.8 OCCC1CCCCO1 Z1198184633 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.8 OCCC1CCCOC1 Z1198309922 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.12 CCNCC1CCOC1 Z316387370 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.12 CNCCN1CCCC1 Z138105840 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.12 COCCC1CCNC1 Z1201627339 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.12 NCCCC1CCOC1 Z1198224817 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.12 O=CCCC1CCOC1 Z1198305626 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.14 CNC1CCCC1SC Z1238736794 [0,0,0,1,0,0|2,1,0]=4 79 B9R1.14 CO[C@@H]1CNC[C@H]1OC Z2417577397 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.14 CO[C@H]1CNC[C@H]1OC Z2472857331 [0,0,0,1,0,0|1,0,0]=2 81 B9R1.15 CNC1CCCCC1C Z324553050 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.15 COC1CCCCC1N Z285187676 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.15 COC1CCCCC1O Z425453594 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.15 COC1CCNCC1C Z2235681426 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.15 COC1CNCCC1C Z1778561134 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.15 CO[C@@H]1CCCN[C@@H]1C Z3379439443 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.17 COCCOC1CNC1 Z1318513962 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.33 CNCC1CCCN1C Z827158786 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.83 C=CCCCCC1CO1 Z1255356056 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.83 CCCCCCC1CO1 Z1020680070 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.83 CCCCOCC1CO1 Z409191626 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.83 CNCCOCC1CC1 Z839536900 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.83 COCCOCC1CO1 Z285181540 [0,0,0,1,0,0|0,0,0]=1 96 B9R1.83 O=CCCOCC1CC1 Z1080366652 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.83 OCCCOCC1CO1 Z4201876111 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.89 CNC1CCCCCC1 Z102766800 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.89 COC1CCCNCC1 Z2492774475 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.89 CSC1CCCCNC1 Z1462950888 [0,0,0,1,0,0|2,1,0]=4 101 B9R1.89 NCC1COCCOC1 Z2310678775 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.89 O=CC1COCCOC1 Z1813175634 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.103 C1CCCCNCCC1 Z1203730912 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.103 C1COCCOCCN1 Z3477416729 [0,0,0,1,0,0|1,0,0]=2 105 B6R0.6 CCCCCCO Z104473568 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.6 CCCOCCN Z4449042604 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.6 CCNCCCO Z138139914 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.6 CCNCCSC Z2412193591 [2,0,0,0,0,0|1,1,0]=4 109 B6R0.6 CCOCCCO Z1080358490 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.6 CNCCCCN Z2939606540 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.6 CNCCCCO Z839096662 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.6 CNCCCOC Z137847932 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.6 CNCCCSC Z102766932 [2,0,0,0,0,0|1,1,0]=4 114 B6R0.6 COCCCC#N Z295205400 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.6 COCCCCO Z431605254 [2,0,0,0,0,0|0,0,0]=2 116 B6R0.6 CONCCCN Z2492414217 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.6 N#CCCCCO Z431952150 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.6 OCCNCCO Z104475196 [2,0,0,0,0,0|1,0,0]=3 119 B8R0.1 C#CCC(N)CCOC Z969112102 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.1 CNCCN(C)CCO Z2526438856 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.1 COCCC(=O)COC Z992968820 [1,1,0,0,0,0|0,0,1]=3 122 B8R0.1 COCCN(C)CCN Z415691186 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.1 COCCS(=O)CCN Z4500883985 [1,1,0,0,0,0|1,1,0]=4 124 B8R0.6 CCCCOC(=O)OC Z1238573230 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.6 CCCNCC(=O)OC Z1836338844 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.6 CNCCCC(=O)OC Z415636552 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.7 CC(C)CCCCCO Z1198149583 [1,1,0,0,0,0|2,0,0]=4 128 B8R0.7 CC(C)CCNCCO Z102766092 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.7 CC(C)CCOCCO Z608482468 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.7 CC(C)COCCC#N Z317037868 [1,1,0,0,0,0|2,0,0]=4 131 B8R0.7 CC(C)COCCCO Z1080358758 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.7 CCCCCCC(C)N Z104477186 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.7 CCCNCCN(C)C Z1250222486 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.7 CN(C)CCCCCO Z968555516 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.7 CN(C)CCNCCO Z137800968 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.7 CNCCCCC(C)C Z5530305220 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.7 CNCCCCN(C)C Z594229344 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.7 COCCCOC(=O)C Z1123440688 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.7 COCCNCC(=O)O Z1276446903 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.7 COCCNCC(C)C Z90501879 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.7 COCCNCC(F)F Z1262327544 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.7 COCCOCC(=O)C Z447894346 [1,1,0,0,0,0|0,0,1]=3 145 B8R0.7 COCCOCC(=O)O Z104477918 [1,1,0,0,0,0|0,0,1]=3 146 B8R0.7 COCCOCC(C)N Z1262237318 [1,1,0,0,0,0|0,0,0]=2 147 B8R0.7 COCCSCC(=O)O Z167837764 [1,1,0,0,0,0|0,1,1]=4 148 B10R0.4 COCCCOCCC(=O)O Z608071756 [0,2,0,0,0,0|2,0,0]=4 149 B10R0.4 COCCNCCCN(C)C Z265501322 [0,2,0,0,0,0|2,0,0]=4 150 B10R0.4 COCCOCCCC(=O)O Z316259206 [0,2,0,0,0,0|1,0,1]=4 151 B10R0.22 COCCOCCS(=O)(=O)N Z1205743463 [0,2,0,0,0,0|1,1,0]=4 152 B10R0.74 CCOCCOCC(O)CN Z285181508 [0,2,0,0,0,0|2,0,0]=4 153 B10R0.74 COCCNCCC(=O)OC Z53116038 [0,2,0,0,0,0|1,0,0]=3 154 B10R0.97 CN(C)CCOCCN(C)C Z276157630 [0,2,0,0,0,0|2,0,0]=4 155 B10R0.1 CCOC(=O)CNCCOC Z266448754 [0,2,0,0,0,0|1,0,1]=4 156 B10R0.71 CCCCCNCCCOC Z137847940 [0,2,0,0,0,0|2,0,0]=4 157 B10R0.71 CCCCOCCOCCN Z362798458 [0,2,0,0,0,0|1,0,0]=3 158 B8R1.2 BrCC1CCCCO1 Z104484248 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.2 CCC1CCCCN1 Z839028612 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.2 CCC1CCCNC1 Z381019246 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.2 CCC1CNCCN1 Z3234914816 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.2 CCC1CNCCO1 Z283724556 [1,0,0,1,0,0|1,0,0]=3 163 B8R1.2 CCC1CNCCS1 Z1203735378 [1,0,0,1,0,0|1,1,0]=4 164 B8R1.2 CCC1COCCN1 Z405749950 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.2 CNC1CCCSC1 Z1873867368 [1,0,0,1,0,0|1,1,0]=4 166 B8R1.2 COC1CCNCC1 Z169511496 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.2 COC1CNCCO1 Z1203748232 [1,0,0,1,0,0|1,0,0]=3 168 B8R1.2 ClCC1CNCCO1 Z1198749808 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.2 FCC1CNCCO1 Z1262569974 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.2 N#CC1CCCOC1 Z1079179226 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.2 NCC1CCCCO1 Z839575544 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.2 NCC1COCCN1 Z2768165249 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.2 NOC1CCCCO1 Z968560364 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.2 OCC1=COCCO1 Z1101443027 [1,0,0,1,0,0|0,0,2]=4 176 B8R1.2 OCC1CCCCC1 Z104503428 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.2 OCC1CCCCN1 Z104476610 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.2 OCC1CCCCO1 Z104479808 [1,0,0,1,0,0|1,0,0]=3 179 B8R1.2 OCC1CCCNC1 Z104479614 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.2 OCC1CCCOC1 Z445213352 [1,0,0,1,0,0|1,0,0]=3 181 B8R1.2 OCC1CNCCO1 Z1235945999 [1,0,0,1,0,0|1,0,0]=3 182 B8R1.2 OCC1COCCN1 Z2513335525 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.2 OCC1COCCO1 Z1020816972 [1,0,0,1,0,0|0,0,0]=2 184 B8R1.2 OCC1CSCCN1 Z1203733048 [1,0,0,1,0,0|1,1,0]=4 185 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.5 CC1CCCCC1O Z104478402 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.5 CC1CCOCC1N Z3035821495 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.5 CC1CNCCN1C Z2408371461 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.5 CC1COCCC1=O Z1192338803 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.5 CC1COCCC1N Z1868316869 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.5 CC1COCCC1O Z1255390393 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.5 NC1CCOCC1O Z2688974552 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.8 CCCC1CCNC1 Z940902738 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.8 CCCN1CCCC1 Z4634999686 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.8 CNCC1CCCC1 Z1162448850 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.8 CNCC1CCCO1 Z137696198 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.8 CNCC1CCOC1 Z239629088 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.8 COCC1CCCN1 Z1342208414 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.8 CSCC1CCCN1 Z839514412 [1,0,0,1,0,0|1,1,0]=4 203 B8R1.8 CSCC1CCNC1 Z1250132642 [1,0,0,1,0,0|1,1,0]=4 204 B8R1.8 N#CCC1CCCO1 Z94601183 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.8 NCCC1CCCO1 Z1245635808 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.8 O=CCC1CCCO1 Z1183458964 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.8 O=CCC1CCOC1 Z1138844345 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.8 OCCC1CCCC1 Z397587408 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.8 OCCC1CCCO1 Z1183459210 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.8 OCCC1CCNC1 Z1198184196 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.8 OCCC1CCOC1 Z1138844344 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.8 OCCN1CCCC1 Z104477730 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.10 NCCOC1CCC1 Z959310784 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.10 OCCOC1CCC1 Z959313250 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.11 CC1CCNC1CO Z1203831515 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.11 CCC1CNCC1O Z1509030677 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.11 CCC1NCCC1C Z1723849174 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.11 COC1CCCC1O Z854223428 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.11 CO[C@@H]1CCN[C@@H]1C Z4509390435 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.11 CO[C@@H]1CNC[C@H]1F Z2307368321 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.11 CO[C@@H]1CNC[C@H]1O Z1982426537 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.12 CNC1CCC1OC Z2868220149 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.12 CN[C@@H]1CC[C@H]1OC Z4997554839 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.12 CO[C@@H]1CC[C@H]1CN Z4643457562 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.22 CC1CCCCNC1 Z1723849152 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.22 CC1CCCNCC1 Z425362298 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.22 CC1CCNCCO1 Z2855997854 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.22 CC1CCOCCN1 Z2940715295 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.22 CC1CNCCOC1 Z1216819166 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.22 CC1CNCCSC1 Z1270496770 [1,0,0,1,0,0|1,1,0]=4 237 B8R1.22 CC1COCCCN1 Z1216819161 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.22 CN1CCCNCC1 Z104479254 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.22 FC1CNCCOC1 Z4924614783 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.22 NC1COCCOC1 Z1463350443 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.22 OC1CNCCOC1 Z2234631219 [1,0,0,1,0,0|1,0,0]=3 242 B8R1.36 BrCCOCC1CO1 Z3038215664 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.36 CCCCNC1CC1 Z361993970 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.36 CCOCCC1CO1 Z1495386137 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.36 COCCNC1CC1 Z1708090045 [1,0,0,1,0,0|1,0,0]=3 246 B8R1.36 NCCCOC1CC1 Z5593566245 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.36 NCCOCC1CC1 Z1266854848 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.36 OCCNCC1CC1 Z335251956 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.36 OCCOCC1CC1 Z854231442 [1,0,0,1,0,0|1,0,0]=3 250 B8R1.36 OCCOCC1CO1 Z332379868 [1,0,0,1,0,0|0,0,0]=2 251 B8R1.49 C1CCCNCCC1 Z104480232 [1,0,0,1,0,0|2,0,0]=4 252 B10R1.10 CCCC1CC(=O)CCO1 Z1192341343 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.10 CNCC1CN(CCO1)C Z1138834383 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.10 COCC1CNCC(O1)C Z1171972190 [0,1,0,1,0,0|1,0,0]=3 255 B10R1.16 COCCN1CCC(C1)N Z415648056 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.18 CC(C)CC1CNCCO1 Z4628240194 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.18 CC(C)CC1COCCN1 Z799925554 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.18 CC(O)CC1COCCN1 Z1646010224 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.18 CN(C)CC1CNCCO1 Z854101484 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.177 CCCCCOCC1CO1 Z409358140 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.19 COC1CCCCCC1N Z1357823917 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.21 COCCNC1CCCC1 Z969560760 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.21 COCCNC1CCSC1 Z90501899 [0,1,0,1,0,0|1,1,0]=4 265 B10R1.21 COCCOC1CCNC1 Z1762997559 [0,1,0,1,0,0|1,0,0]=3 266 B10R1.21 NCCCOC1CCOC1 Z1138838660 [0,1,0,1,0,0|2,0,0]=4 267 B10R1.85 COCC1CCOCCN1 Z3485770280 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.138 COCC(C)OCC1CO1 Z1188073146 [0,1,0,1,0,0|0,0,0]=2 269 B10R1.186 COCCNC(C)C1CC1 Z334879626 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.377 CC1(COCCO1)CCN Z3786922128 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.377 COCC1(CNCCO1)C Z1258762959 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.17 CCOCC1CCCCN1 Z2261981710 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.17 CCOCC1CCCNC1 Z1267881664 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.17 CNCCC1CCOCC1 Z992744046 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.17 CNCCN1CCOCC1 Z138328496 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.17 COCCC1COCCN1 Z1813175691 [0,1,0,1,0,0|1,0,0]=3 277 B10R1.17 NCCCC1CCCCO1 Z1182485873 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.17 OCCCC1CCCCO1 Z1182486786 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.178 COCCN(C)C1CNC1 Z2787453618 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.180 COCCN(C)CC1CO1 Z818821006 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.216 COCCC1(CCCC1)N Z992950524 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.20 COC1COCCC1CN Z2235681472 [0,1,0,1,0,0|1,0,0]=3 283 B10R1.20 CO[C@H]1CNCC[C@H]1OC Z4487221147 [0,1,0,1,0,0|1,0,0]=3 284 B10R1.57 CCCCCOC1CNC1 Z1318513965 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.1 COCC1CCC(CC1)N Z1203642452 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.15 COC(=O)C1CNCCO1 Z1359429564 [0,1,0,1,0,0|1,0,1]=4 287 B10R1.15 COC(=O)C1COCCN1 Z1318356904 [0,1,0,1,0,0|1,0,1]=4 288 B10R1.151 COC(=O)COC1CCC1 Z959310266 [0,1,0,1,0,0|1,0,1]=4 289 B10R1.153 COC(=O)COCC1CC1 Z361894076 [0,1,0,1,0,0|1,0,1]=4 290 B10R1.232 C#CC1(COCCOC1)N Z5209731970 [0,1,0,1,0,0|1,0,1]=4 291 B10R2.6 C1CCC(CC1)C2CO2 Z1020679990 [0,0,0,2,0,0|2,0,0]=4 292 B10R2.6 C1CCC(CC1)[C@H]2CO2 Z3271410869 [0,0,0,2,0,0|2,0,0]=4 293 B10R2.6 C1CCC(OC1)C2CO2 Z2583409374 [0,0,0,2,0,0|1,0,0]=3 294 B10R2.6 C1COC(CN1)C2CC2 Z2786079697 [0,0,0,2,0,0|2,0,0]=4 295 B10R2.6 C1COCC(C1)C2CO2 Z1192360738 [0,0,0,2,0,0|1,0,0]=3 296 B10R2.6 C1CO[C@@H](CN1)C2CC2 Z3555934412 [0,0,0,2,0,0|2,0,0]=4 297 B10R2.6 C1CO[C@H](CN1)C2CC2 Z3555933912 [0,0,0,2,0,0|2,0,0]=4 298 B10R2.7 C1CC2CNCC2CO1 Z2408581558 [0,0,0,2,0,0|2,0,0]=4 299 B10R2.7 C1CC2NCCOC2C1 Z812516910 [0,0,0,2,0,0|2,0,0]=4 300 B10R2.7 C1CN[C@H]2COC[C@H]2N1 Z4218574373 [0,0,0,2,0,0|2,0,0]=4 301 B10R2.7 C1CO[C@H]2CNC[C@@H]2C1 Z5105472904 [0,0,0,2,0,0|2,0,0]=4 302 B10R2.7 C1CO[C@H]2CNC[C@H]2C1 Z5105482590 [0,0,0,2,0,0|2,0,0]=4 303 B10R2.7 C1CO[C@H]2COC[C@@H]2N1 Z2568678128 [0,0,0,2,0,0|1,0,0]=3 304 B10R2.7 C1CO[C@H]2COC[C@H]2N1 Z2568676437 [0,0,0,2,0,0|1,0,0]=3 305 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 Z1956645017 [0,0,0,2,0,0|2,0,0]=4 306 B10R2.172 COC[C@@H]1[C@@H]2[C@H]1CNC2 Z2300951351 [0,0,0,2,0,0|2,0,0]=4 307 B10R2.408 C1CC2COCC(C1)N2 Z2168541803 [0,0,0,2,0,0|2,0,0]=4 308 B10R2.408 C1NCC2COCC1C2 Z2311219656 [0,0,0,2,0,0|2,0,0]=4 309 B10R2.408 C1NCC2COCC1O2 Z2158595309 [0,0,0,2,0,0|1,0,0]=3 310 B10R2.484 C1CC2(C1)CNCCO2 Z1255406158 [0,0,0,2,0,0|2,0,0]=4 311 B10R2.484 C1CC2(C1)COCCN2 Z1203833671 [0,0,0,2,0,0|2,0,0]=4 312 B10R2.32 N[C@@H]1CO[C@@H]2[C@H]1COC2 Z3486115582 [0,0,0,2,0,0|2,0,0]=4 313 B10R2.99 CO[C@@H]1C[C@H]2CN[C@@H]1C2 Z5000751406 [0,0,0,2,0,0|2,0,0]=4 314 B10R2.136 C1CC(CO1)C2CNC2 Z1945984215 [0,0,0,2,0,0|2,0,0]=4 315 B10R2.193 C1CC(CO1)CC2CO2 Z1495386240 [0,0,0,2,0,0|1,0,0]=3 316 B10R2.193 C1CCC(C1)CC2CO2 Z1495386145 [0,0,0,2,0,0|2,0,0]=4 317 B10R2.193 C1CCN(C1)CC2CO2 Z271128016 [0,0,0,2,0,0|2,0,0]=4 318 B10R2.483 C1CC2(CCOC2)CN1 Z1124555842 [0,0,0,2,0,0|2,0,0]=4 319 B10R2.8 COC1CNCC12CC2 Z3035170621 [0,0,0,2,0,0|2,0,0]=4 320 B10R2.15 CC1CCCCC12CO2 Z1020679978 [0,0,0,2,0,0|2,0,0]=4 321 B10R2.475 C1CCCC2(CC1)CO2 Z227267036 [0,0,0,2,0,0|2,0,0]=4