0 B12R1.286 C/C=C/C1=CC(=C(C=C1)O)OC Z57953030 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.286 C=CCC1=CC(=C(C=C1)O)OC Z56347226 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.286 CC1=C(C=C(C=C1)CCN)C#N Z3614117785 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.286 CCCC1=CC(=C(C=C1)N)C#N Z1532769937 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.286 CCCC1=CC(=C(C=C1)O)CO Z1513840121 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.286 CCOC1=CC(=C(C=C1)O)C=O Z56347093 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.286 CCOC1=NC(=C(C=C1)N)OC Z3858525756 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.286 CNCC1=CC(=C(C=C1)O)OC Z425387552 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.286 COC1=C(C=CC(=C1)CC#N)C Z168876640 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.286 COC1=C(C=CC(=C1)CCN)C Z1198167712 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.286 COC1=C(C=CC(=C1)CCN)O Z1268152336 [0,0,0,0,0,0|0,0,0]=0 11 B12R1.286 N#CCC1=CC(=C(C=C1)O)C=O Z1511891392 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.286 NCCC1=CC(=C(C=C1)O)CO Z1262658266 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.189 CCC1=CC(=CC=C1)CNC Z6010478687 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.189 CCCC1=CC(=CC=C1)C=O Z1216844686 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.189 CCNC1=CC(=CC=C1)CC Z5510285279 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.189 CCNC1=CC(=CC=C1)OC Z286367386 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.189 CNCC1=CC(=CC=C1)OC Z56939284 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.189 CNCC1=CC(=CN=C1)OC Z1255362175 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.189 CNCC1=CC(=NC=C1)OC Z5851214102 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.189 CNCC1=NC(=CC=C1)OC Z4595018713 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.189 COC1=CC(=CC=C1)CC#N Z285184582 [1,0,0,0,0,0|0,0,2]=3 22 B11R1.189 COC1=CC(=CC=C1)CCN Z285143778 [1,0,0,0,0,0|0,0,0]=1 23 B11R1.189 COC1=CC(=CC=C1)N=C=S Z56899053 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.189 COC1=NC(=CC=C1)CC#N Z1139189684 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.189 COC1=NC(=CC=C1)CCN Z1139189688 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.189 COC1=NC(=NC=C1)CCN Z3678332979 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.189 COC1=NC=CC(=C1)CC#N Z1198311116 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.189 COC1=NC=CC(=C1)CCN Z2298160753 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.189 CSC1=CC(=CC=C1)CCN Z4873760169 [1,0,0,0,0,0|0,1,0]=2 30 B11R1.189 N#CC1=CC=CC(=C1)CCN Z1983080032 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.189 N#CC1=CC=CC(=N1)CCN Z5211343009 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.189 NCCC1=CC(=CC=C1)CO Z4741652081 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.192 CC1=C(C=C(C=C1)CC=O)C Z993017804 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.192 CC1=C(C=C(C=C1)CCN)C Z2526366647 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.192 CC1=C(C=C(C=C1)CCN)Cl Z4330614334 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.192 CC1=C(C=CC(=C1)CC#N)Br Z1269136507 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.192 CC1=C(C=CC(=C1)CC#N)O Z1255368240 [1,0,0,0,0,0|0,0,2]=3 38 B11R1.192 CC1=C(C=CC(=C1)CC=O)F Z1020779938 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.192 CC1=C(C=CC(=C1)CCN)Br Z1269233616 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.192 CC1=C(C=CC(=C1)CCN)Cl Z1198178622 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.192 CC1=C(C=CC(=C1)CCN)F Z1682072426 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.192 CCNC1=CC(=C(C=C1)C)C Z5214919889 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.192 CCNC1=CC(=C(C=C1)F)C Z2756154226 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.192 CNCC1=CC(=C(C=C1)C)C Z2238897979 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.192 CNCC1=CC(=C(C=C1)F)C Z1873867371 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.192 NCCC1=CC(=C(C=C1)Br)Cl Z5222342336 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.192 NCCC1=CC(=C(C=C1)Cl)Cl Z285143770 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.192 NCCC1=CC(=C(C=C1)Cl)F Z2681241887 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.192 NCCC1=CC(=C(C=C1)F)Br Z752370708 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.192 NCCC1=CC(=C(C=C1)F)Cl Z4607148848 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.192 NCCC1=CC(=C(C=C1)F)F Z1695670002 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.192 NCCC1=CC(=C(C=C1)O)O Z104474032 [1,0,0,0,0,0|0,0,0]=1 53 B11R1.192 OCCC1=CC(=C(C=C1)Br)F Z1450935429 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.192 OCCC1=CC(=C(C=C1)F)F Z1020788674 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.192 OCCC1=CC(=C(C=C1)O)Cl Z1250886915 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.280 C#CC1=CC(=C(C=C1)Cl)OC Z1341622595 [1,0,0,0,0,0|1,0,2]=4 57 B11R1.280 CCC1=C(C=CC(=C1)C#N)O Z1255358806 [1,0,0,0,0,0|1,0,2]=4 58 B11R1.280 CCC1=C(C=CC(=C1)OC)Br Z1269109771 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.280 CCC1=CC(=C(C=C1)Br)C=O Z2511826756 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.280 CCC1=CC(=C(C=C1)F)C=O Z1251415032 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.280 CCC1=CC(=C(C=C1)N)C#N Z763367914 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.280 CCC1=CC(=C(C=C1)O)C=O Z979493236 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.280 CCC1=CC(=C(C=C1)O)OC Z57234301 [1,0,0,0,0,0|0,0,0]=1 64 B11R1.280 CNC1=C(C=CC(=C1)OC)Br Z5989973729 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.280 CNC1=CC(=C(C=C1)C)NC Z1463349151 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.280 CNC1=CC(=C(C=C1)C)OC Z5981152945 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.280 COC1=C(C=CC(=C1)C#N)C Z1079179078 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.280 COC1=C(C=CC(=C1)C#N)I Z1269177439 [1,0,0,0,0,0|1,0,2]=4 69 B11R1.280 COC1=C(C=CC(=C1)C#N)N Z1201627144 [1,0,0,0,0,0|1,0,2]=4 70 B11R1.280 COC1=C(C=CC(=C1)C#N)O Z56963393 [1,0,0,0,0,0|0,0,2]=3 71 B11R1.280 COC1=C(C=CC(=C1)C=O)C Z1079442616 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.280 COC1=C(C=CC(=C1)C=O)Cl Z1198175109 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.280 COC1=C(C=CC(=C1)C=O)F Z1203161973 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.280 COC1=C(C=CC(=C1)C=O)O Z57772449 [1,0,0,0,0,0|1,0,1]=3 75 B11R1.280 COC1=C(C=CC(=C1)C=O)S Z835750876 [1,0,0,0,0,0|1,1,1]=4 76 B11R1.280 COC1=C(C=CC(=C1)CN)C Z812517018 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.280 COC1=C(C=CC(=C1)CN)F Z3235016255 [1,0,0,0,0,0|1,0,0]=2 78 B11R1.280 COC1=C(C=CC(=C1)CN)N Z3223855819 [1,0,0,0,0,0|1,0,0]=2 79 B11R1.280 COC1=C(C=CC(=C1)CN)O Z381785798 [1,0,0,0,0,0|0,0,0]=1 80 B11R1.280 COC1=C(C=CC(=C1)CO)C Z397587200 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.280 COC1=C(C=CC(=C1)CO)Cl Z1255366940 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.280 COC1=C(C=CC(=C1)CO)F Z1201620066 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.280 COC1=C(C=CC(=C1)CO)O Z56347244 [1,0,0,0,0,0|1,0,0]=2 84 B11R1.280 COC1=C(C=CC(=C1)SC)N Z1147225829 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.280 COC1=CC(=C(C=C1)Br)OC Z299596224 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.280 COC1=CC(=C(C=C1)N)OC Z104478344 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.280 COC1=CC(=C(C=C1)O)C=O Z56899054 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.280 COC1=CC(=C(C=C1)O)CN Z1268152343 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.280 COC1=CC(=C(N=C1)Br)OC Z1269122334 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.280 CSC1=C(C=CC(=C1)C=O)O Z1255433772 [1,0,0,0,0,0|1,1,1]=4 91 B11R1.280 NCC1=CC(=C(C=C1)F)CO Z1820078681 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.280 O=CC1=C(C=CC(=C1)CCl)O Z55993011 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.280 O=CC1=C(C=CC(=C1)CO)O Z1198153315 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.280 OCC1=CC(=C(C=C1)O)CO Z1198151167 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.49 CCC(C)C1=CC(=C(C=C1)O)C=O Z1198159909 [0,1,0,0,0,0|3,0,0]=4 96 B13R1.49 COC(=O)C1=CC(=C(C=C1)O)OC Z104500600 [0,1,0,0,0,0|2,0,1]=4 97 B13R1.49 COC1=C(C=CC(=C1)C(=O)CN)O Z4654934301 [0,1,0,0,0,0|0,0,1]=2 98 B13R1.49 COC1=C(C=CC(=C1)C(O)CN)O Z2574937385 [0,1,0,0,0,0|0,0,0]=1 99 B13R1.52 COC1=C(C=CC(=C1)CC(=O)N)C Z194976376 [0,1,0,0,0,0|1,0,1]=3 100 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Br Z1269221903 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)C Z168876634 [0,1,0,0,0,0|2,0,1]=4 102 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Cl Z1269148038 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)N Z4184587402 [0,1,0,0,0,0|2,0,1]=4 104 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O Z1203162033 [0,1,0,0,0,0|1,0,1]=3 105 B13R1.52 COC1=C(C=CC(=C1)CC(C)N)O Z4119887033 [0,1,0,0,0,0|0,0,0]=1 106 B13R1.52 COC1=C(C=CC(=C1)CN(C)C)O Z2177030804 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.52 COC1=C(C=CC(=C1)NC(=O)N)Br Z1321379839 [0,1,0,0,0,0|2,0,1]=4 108 B13R1.52 COC1=C(C=CC(=C1)NC(=O)N)F Z1763025566 [0,1,0,0,0,0|2,0,1]=4 109 B13R1.52 COC1=C(C=CC(=C1)OC(F)F)Br Z1269229836 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.384 CCOC1=CC(=C(C=C1)N)OCC Z3211605347 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.386 C=CCC1=CC(=C(C=C1)OC)OC Z1255398904 [0,1,0,0,0,0|1,0,1]=3 112 B13R1.386 CCNC1=CC(=C(C=C1)OC)OC Z286407122 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.386 CNCC1=CC(=C(C=C1)OC)OC Z56173976 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.386 CNCC1=CC(=C(C=C1)SC)OC Z926900228 [0,1,0,0,0,0|2,1,0]=4 115 B13R1.386 COC1=C(C=C(C=C1)/C=N/O)OC Z49568350 [0,1,0,0,0,0|2,0,1]=4 116 B13R1.386 COC1=C(C=C(C=C1)CC#N)OC Z104477288 [0,1,0,0,0,0|0,0,2]=3 117 B13R1.386 COC1=C(C=C(C=C1)CC=O)OC Z1020779916 [0,1,0,0,0,0|1,0,1]=3 118 B13R1.386 COC1=C(C=C(C=C1)CCN)OC Z104477298 [0,1,0,0,0,0|0,0,0]=1 119 B13R1.386 COC1=C(C=C(C=C1)CCO)OC Z397587464 [0,1,0,0,0,0|1,0,0]=2 120 B13R1.387 CC1=C(C=C(C=C1)CCN)[N+](=O)[O-] Z3644340868 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.387 NCCC1=CC(=C(C=C1)O)[N+](=O)[O-] Z3717955584 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.575 CCCCC1=CC(=C(C=C1)O)C=O Z1504264331 [0,1,0,0,0,0|3,0,0]=4 123 B13R1.575 CNCCC1=CC(=C(C=C1)O)OC Z4437707719 [0,1,0,0,0,0|0,0,0]=1 124 B13R1.575 COCCC1=CC(=C(C=C1)O)C=O Z979493242 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.1255 CNCC1=C(C(=C(C=C1)F)OC)F Z5597727786 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.1255 COC1=C(C(=CC=C1F)CCN)F Z5620691798 [0,1,0,0,0,0|1,0,0]=2 127 B13R1.1255 COC1=C(C(=NC=C1C)CCN)C Z4990375082 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.121 COC1=C(C=CC2=C1OCO2)Br Z1681354536 [0,0,0,1,0,0|3,0,0]=4 129 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 Z1250887262 [0,0,0,1,0,0|2,0,0]=3 130 B13R2.449 CNCC1=CC2=C(C=C1)OCC2 Z1889710317 [0,0,0,1,0,0|3,0,0]=4 131 B13R2.449 CNCC1=CC2=C(C=C1)OCO2 Z57307088 [0,0,0,1,0,0|2,0,0]=3 132 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 Z234894070 [0,0,0,1,0,0|0,0,2]=3 133 B13R2.449 NCCC1=CC2=C(C=C1)NN=C2 Z2065464303 [0,0,0,1,0,0|3,0,0]=4 134 B13R2.449 NCCC1=CC2=C(C=C1)OC=C2 Z4327136974 [0,0,0,1,0,0|1,0,1]=3 135 B13R2.449 NCCC1=CC2=C(C=C1)OCC2 Z316119814 [0,0,0,1,0,0|1,0,0]=2 136 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 Z94601334 [0,0,0,1,0,0|0,0,0]=1 137 B13R2.449 NCCC1=CC2=C(C=C1)SC=C2 Z4692024239 [0,0,0,1,0,0|1,1,1]=4 138 B13R2.449 NCCC1=CC2=C(C=CN2)C=C1 Z1198178617 [0,0,0,1,0,0|2,0,1]=4 139 B13R2.449 NCCC1=CC2=NNC=C2C=C1 Z2027049525 [0,0,0,1,0,0|3,0,0]=4 140 B13R2.449 O/N=C/C1=CC2=C(C=C1)OCO2 Z49568304 [0,0,0,1,0,0|2,0,1]=4 141 B13R2.449 O=C=NC1=CC2=C(C=C1)OCO2 Z316172548 [0,0,0,1,0,0|2,0,1]=4 142 B13R2.449 O=CCC1=CC2=C(C=C1)OCO2 Z1198331621 [0,0,0,1,0,0|1,0,1]=3 143 B13R2.449 O=CNC1=CC2=C(C=C1)OCO2 Z1258520893 [0,0,0,1,0,0|2,0,1]=4 144 B13R2.449 OCCC1=CC2=C(C=C1)CCC2 Z1209424228 [0,0,0,1,0,0|3,0,0]=4 145 B13R2.599 COC1=C(C=C2CCCC2=C1)O Z1513818935 [0,0,0,1,0,0|1,0,0]=2 146 B13R2.599 COC1=C(C=C2COCC2=C1)Br Z3219627381 [0,0,0,1,0,0|3,0,0]=4 147 B13R2.599 COC1=C(C=C2NC=CC2=C1)Cl Z1255373562 [0,0,0,1,0,0|1,0,2]=4 148 B13R2.599 O=CC1=C(C=C2CCCC2=C1)O Z1511780763 [0,0,0,1,0,0|3,0,0]=4 149 B10R1.10 CC1=CC(=CC=C1)CC#N Z285131450 [2,0,0,0,0,0|0,0,2]=4 150 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [2,0,0,0,0,0|0,0,0]=2 151 B10R1.10 CC1=NC(=CC=C1)CCN Z1098234194 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [2,0,0,0,0,0|0,0,2]=4 158 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [2,0,0,0,0,0|1,0,0]=3 163 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [2,0,0,0,0,0|0,0,0]=2 164 B10R1.10 NCCC1=CC(=CN=C1)O Z1504671788 [2,0,0,0,0,0|1,0,0]=3 165 B10R1.10 NCCC1=CC(=NC=C1)N Z2310698980 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.10 NCCC1=NC=NC(=C1)O Z2310716008 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.172 CCC1=CC(=CC=C1)C#N Z1201618078 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.172 CCC1=CC(=CC=C1)C=O Z1198218859 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.172 CCC1=CC(=CC=C1)NC Z335280692 [2,0,0,0,0,0|1,0,0]=3 173 B10R1.172 CCC1=CC(=CN=C1)CN Z2310718462 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.172 CNC1=CC(=CC=C1)CO Z1082871942 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.172 CNC1=CC(=CC=C1)OC Z3013892520 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.172 CNC1=CC(=CC=C1)SC Z335253758 [2,0,0,0,0,0|1,1,0]=4 177 B10R1.172 CNC1=NC(=CC=C1)OC Z104494274 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.172 COC1=CC(=CC=C1)C=O Z53836050 [2,0,0,0,0,0|1,0,1]=4 179 B10R1.172 COC1=CC(=CC=C1)CCl Z104486106 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.172 COC1=CC(=CC=C1)CO Z90121251 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.172 COC1=CC(=CC=C1)NN Z94599902 [2,0,0,0,0,0|1,0,0]=3 182 B10R1.172 COC1=CC(=NC=C1)CO Z800297980 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.172 COC1=CN=CC(=C1)OC Z1198157277 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.172 COC1=NC(=CC=C1)CCl Z969097374 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.172 COC1=NC(=CC=C1)CN Z875024662 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.172 COC1=NC(=CC=C1)CO Z969097688 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.172 COC1=NC(=CN=C1)CN Z2944291893 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.172 COC1=NC=NC(=C1)CN Z3675381988 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.172 CSC1=NC=CC(=C1)CN Z732208356 [2,0,0,0,0,0|1,1,0]=4 190 B10R1.172 N#CC1=CC=CC(=C1)CN Z1267773821 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.172 NCC1=CC(=CC=C1)C=O Z3481427925 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.172 NCC1=CC(=CC=C1)CO Z385458332 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [2,0,0,0,0,0|0,0,2]=4 200 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [2,0,0,0,0,0|1,0,0]=3 202 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [2,0,0,0,0,0|1,0,0]=3 203 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [2,0,0,0,0,0|1,0,0]=3 204 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [2,0,0,0,0,0|1,0,0]=3 205 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [2,0,0,0,0,0|0,0,0]=2 206 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.1 NCCC1=CN=C(N=C1)O Z2725055726 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [2,0,0,0,0,0|1,0,0]=3 210 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [2,0,0,0,0,0|1,0,0]=3 214 B10R1.176 CC1=C(C=C(C=C1)CN)Cl Z4658099850 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.176 CC1=C(C=C(C=C1)CN)F Z166652084 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.176 CC1=C(C=C(C=C1)CN)N Z5023069916 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.176 CC1=C(C=C(C=C1)CN)O Z3951014909 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.176 CC1=C(C=CC(=C1)C#N)O Z606249182 [2,0,0,0,0,0|0,0,2]=4 219 B10R1.176 CC1=C(C=CC(=C1)C=O)O Z1082846778 [2,0,0,0,0,0|1,0,1]=4 220 B10R1.176 CC1=C(C=CC(=C1)CN)Br Z2293605627 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.176 CC1=C(C=CC(=C1)CN)Cl Z1255503196 [2,0,0,0,0,0|1,0,0]=3 222 B10R1.176 CC1=C(C=CC(=C1)CN)I Z1992316385 [2,0,0,0,0,0|1,0,0]=3 223 B10R1.176 CC1=C(C=CC(=C1)CO)Br Z1269142250 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.176 CC1=C(C=CC(=C1)CO)Cl Z1201623310 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.176 CC1=C(C=CC(=N1)CN)Br Z4442967682 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.176 CC1=C(N=C(C=C1)CN)C Z4767745752 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.176 CC1=C(N=CC(=C1)CN)C Z3300709046 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.176 CCC1=CC(=C(C=C1)Br)Cl Z1551924078 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.176 CCC1=CC(=C(C=C1)Br)N Z2753220544 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.176 CCC1=CC(=C(C=C1)N)F Z1255421063 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.176 CCC1=CC(=C(C=C1)N)N Z1198311235 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.176 CCC1=CC(=C(C=C1)O)C Z1255463943 [2,0,0,0,0,0|0,0,0]=2 233 B10R1.176 CCC1=CC(=C(C=C1)O)N Z1318147478 [2,0,0,0,0,0|1,0,0]=3 234 B10R1.176 CNC1=CC(=C(C=C1)Br)C Z335264426 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.176 COC1=CC(=C(C=C1)C)O Z1255384359 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.176 COC1=CC(=C(C=C1)Cl)C Z54850187 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.176 COC1=CC(=C(C=C1)I)C Z1269244593 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.176 COC1=CC(=C(C=C1)N)C Z239604794 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [2,0,0,0,0,0|1,0,0]=3 240 B10R1.176 COC1=CC(=C(C=C1)O)N Z57727878 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.176 COC1=NC(=C(C=C1)O)C Z1255447798 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.176 CSC1=CC(=C(C=C1)Br)O Z1269146558 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.176 NCC1=CC(=C(C=C1)Br)F Z2327126749 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.176 NCC1=CC(=C(C=C1)Cl)F Z3244773428 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.176 NCC1=CC(=C(C=C1)Cl)N Z1480642430 [2,0,0,0,0,0|2,0,0]=4 246 B10R1.176 NCC1=CC(=C(C=C1)F)Cl Z992424146 [2,0,0,0,0,0|2,0,0]=4 247 B10R1.176 NCC1=CC(=C(C=C1)F)F Z239626576 [2,0,0,0,0,0|2,0,0]=4 248 B10R1.176 NCC1=CC(=C(C=C1)F)O Z2786079401 [2,0,0,0,0,0|1,0,0]=3 249 B10R1.176 NCC1=CC(=C(C=C1)O)Br Z1436472846 [2,0,0,0,0,0|1,0,0]=3 250 B10R1.176 NCC1=CC(=C(C=C1)O)Cl Z2757555437 [2,0,0,0,0,0|1,0,0]=3 251 B10R1.176 NCC1=CC(=C(C=C1)O)F Z1250080941 [2,0,0,0,0,0|1,0,0]=3 252 B10R1.176 NCC1=CC(=C(C=C1)O)O Z1272096628 [2,0,0,0,0,0|0,0,0]=2 253 B10R1.176 NCC1=CC(=C(N=C1)O)F Z5004159399 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.176 O=CC1=CC(=C(C=C1)O)O Z56957508 [2,0,0,0,0,0|1,0,1]=4 255 B10R1.176 OCC1=CC(=C(C=C1)I)O Z1269159331 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.176 OCC1=CC(=C(C=C1)O)Cl Z839172284 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.176 OCC1=CC(=C(C=C1)O)F Z385458838 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.176 OCC1=NC=C(C(=C1)O)O Z3003010756 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.30 CC1=CC(=C(C=C1)O)C=O Z274774390 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.30 CCC1=C(C=CC(=C1)Br)O Z1269214466 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.30 CCC1=C(C=CC(=C1)O)O Z1255360449 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.30 CCC1=C(C=CC(=N1)C)O Z1741975119 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.30 CNC1=C(C=CC(=C1)C)C Z752370986 [2,0,0,0,0,0|2,0,0]=4 264 B10R1.30 COC1=C(C=CC(=C1)C)N Z607822396 [2,0,0,0,0,0|1,0,0]=3 265 B10R1.30 COC1=C(C=CC(=C1)Cl)N Z851801172 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.30 COC1=C(C=CC(=C1)F)N Z240869728 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.30 COC1=C(C=CC(=C1)I)Br Z1269142199 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.30 COC1=C(C=CC(=C1)I)N Z2230911387 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.30 COC1=C(C=CC(=C1)N)Br Z1269152504 [2,0,0,0,0,0|1,0,0]=3 270 B10R1.30 COC1=C(C=CC(=C1)N)Cl Z586249876 [2,0,0,0,0,0|1,0,0]=3 271 B10R1.30 COC1=C(C=CC(=C1)N)N Z1147221600 [2,0,0,0,0,0|1,0,0]=3 272 B10R1.30 COC1=C(C=CC(=C1)N)O Z3244869289 [2,0,0,0,0,0|0,0,0]=2 273 B10R1.30 COC1=C(C=CC(=C1)O)Br Z1258567775 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.30 COC1=C(C=CC(=C1)O)N Z2574932955 [2,0,0,0,0,0|2,0,0]=4 275 B10R1.30 COC1=C(C=CC(=N1)C)O Z1255397596 [2,0,0,0,0,0|1,0,0]=3 276 B10R1.30 COC1=C(C=CC(=N1)N)Br Z1269195904 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.30 COC1=C(C=NC(=C1)C)Br Z1269112960 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.30 COC1=C(C=NC(=C1)N)I Z3244909482 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.30 CSC1=C(C=CC(=C1)N)C Z992937584 [2,0,0,0,0,0|1,1,0]=4 280 B10R1.30 CSC1=C(C=CC(=C1)N)Cl Z1262638327 [2,0,0,0,0,0|1,1,0]=4 281 B10R1.30 NCC1=C(C=CC(=C1)N)O Z2786366737 [2,0,0,0,0,0|2,0,0]=4 282 B12R1.41 COC1=CC(=CC(=C1)Br)CC#N Z1269155655 [1,1,0,0,0,0|0,0,2]=4 283 B12R1.41 COC1=CC(=CC(=C1)C)CCN Z4927155537 [1,1,0,0,0,0|0,0,0]=2 284 B12R1.270 C=CCC1=C(C=CC(=C1)OC)O Z57046211 [1,1,0,0,0,0|1,0,1]=4 285 B12R1.270 CNCC1=C(C=CC(=C1)OC)F Z5345759032 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.278 CCOC1=CC(=CC=C1)CCN Z600432974 [1,1,0,0,0,0|0,0,0]=2 287 B12R1.279 NCCC1=CC(=CC=C1)B(O)O Z1269214227 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.279 NCCC1=CC(=CC=C1)C(=O)N Z1262327414 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.279 NCCC1=CC(=CC=C1)C(=O)O Z1245633941 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.279 NCCC1=CC(=CC=C1)[N+](=O)[O-] Z1536936187 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.280 CNCC1=C(C(=CC=C1)OC)Cl Z5594789851 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.280 CNCC1=C(C(=CC=C1)OC)F Z5597731081 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.382 C#CCOC1=CC=CC(=C1)OC Z54475225 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.382 CCC1=CC(=CC=C1)CCCN Z5176470303 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.382 CCC1=CC(=CC=C1)OCCBr Z90123571 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.382 CNCCC1=CC(=CC=C1)C#N Z2734594341 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.382 COC1=CC(=CC=C1)C#CCO Z539904058 [1,1,0,0,0,0|1,0,1]=4 298 B12R1.382 COC1=CC(=CC=C1)CCC=O Z993017768 [1,1,0,0,0,0|1,0,0]=3 299 B12R1.382 COC1=CC(=CC=C1)CCCN Z1262398467 [1,1,0,0,0,0|0,0,0]=2 300 B12R1.382 COC1=CC(=CC=C1)CCCO Z993012490 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.382 COC1=CC(=CC=C1)OCCN Z335452802 [1,1,0,0,0,0|0,0,0]=2 302 B12R1.382 COC1=CC(=CN=C1)CCC=O Z1522556054 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.382 N#CC1=CC=CC(=C1)OCCN Z4105362361 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.435 CCC(=O)C1=CC(=CC=C1)OC Z513732528 [1,1,0,0,0,0|1,0,1]=4 305 B12R1.435 CCC(O)C1=CC(=CC=C1)OC Z513748112 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.435 COC1=CC(=CC=C1)C(=O)CBr Z104482198 [1,1,0,0,0,0|1,0,1]=4 307 B12R1.435 COC1=CC(=CC=C1)C(=O)CCl Z440619268 [1,1,0,0,0,0|1,0,1]=4 308 B12R1.435 COC1=CC(=CC=C1)C(=O)CN Z2242140910 [1,1,0,0,0,0|0,0,1]=3 309 B12R1.435 COC1=CC(=CC=C1)C(=O)NN Z58981865 [1,1,0,0,0,0|1,0,1]=4 310 B12R1.435 COC1=CC(=CC=C1)C(C)C#N Z415654698 [1,1,0,0,0,0|0,0,2]=4 311 B12R1.435 COC1=CC(=CC=C1)C(C)C=O Z1255385344 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.435 COC1=CC(=CC=C1)C(N)CO Z385458538 [1,1,0,0,0,0|1,0,0]=3 313 B12R1.435 COC1=CC(=CC=C1)C(O)CO Z1416170023 [1,1,0,0,0,0|1,0,0]=3 314 B12R1.435 N#CC1=CC=CC(=C1)[C@@H](O)CN Z2238129707 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.438 COC1=CC(=CC=C1)CC(=N)N Z951367838 [1,1,0,0,0,0|0,0,1]=3 316 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [1,1,0,0,0,0|0,0,1]=3 317 B12R1.438 COC1=CC(=CC=C1)CC(=O)O Z104478986 [1,1,0,0,0,0|1,0,1]=4 318 B12R1.438 COC1=CC(=CC=C1)NC(=S)N Z56913186 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.19 CC(N)CC1=CC(=C(C=C1)F)Br Z285144030 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [1,1,0,0,0,0|0,0,0]=2 321 B12R1.19 CC1=C(C=C(C=C1)CC(C)N)F Z4098107054 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)O Z1198169209 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [1,1,0,0,0,0|1,0,1]=4 324 B12R1.44 CC1=CC(=CC(=C1O)C)CCN Z1809367687 [1,1,0,0,0,0|0,0,0]=2 325 B12R1.44 NCCC1=CC(=C(C(=C1)F)F)F Z1682072427 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.44 OCCC1=CC(=C(C(=C1)Br)O)Br Z1860411848 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.288 CC1=C(C=CC(=C1)CCN)C#N Z3571126634 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.288 CCCC1=CC(=C(C=C1)OC)O Z87001810 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.288 CNCC1=CC(=C(C=C1)OC)C Z1101435075 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.288 CNCC1=CC(=C(C=C1)OC)O Z57842333 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.288 COC1=C(C=C(C=C1)CCN)Br Z5122698103 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.288 COC1=C(C=C(C=C1)CCN)Cl Z3295464152 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.288 COC1=C(C=C(C=C1)CCN)F Z382820754 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.288 COC1=C(C=C(C=C1)CCO)O Z1198339386 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.367 CC(CN)C1=CC(=C(C=C1)Cl)Cl Z4937190097 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)Cl Z4937045907 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)F Z415655058 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.367 CCC(C)C1=CC(=C(C=C1)O)N Z57441610 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.367 NCC(O)C1=CC(=C(C=C1)F)F Z330910382 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)O Z56912624 [1,1,0,0,0,0|1,0,1]=4 341 B12R1.385 C#CCSC1=CC(=C(C=C1)O)C Z1513913579 [1,1,0,0,0,0|1,0,1]=4 342 B12R1.385 CC1=C(C=C(C=C1)SCCN)C Z56347318 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.385 CC1=C(C=C(C=C1)SCCO)C Z149235456 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.385 CC1=C(C=CC(=C1)OCCO)N Z335092234 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.385 CCCCC1=CC(=C(C=C1)O)C Z1416171318 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.385 CCCNC1=CC(=C(C=C1)C)C Z3179194889 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.385 CCCNC1=CC(=C(C=C1)Cl)C Z3178893817 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.385 CCCOC1=CC(=C(C=C1)N)C Z239604814 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.385 CNCCC1=CC(=C(C=C1)O)Br Z3710478807 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.385 COCCC1=CC(=C(C=C1)O)Cl Z1513901493 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.385 NCCOC1=CC(=C(C=C1)Cl)F Z2235790693 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.385 NCCOC1=CC(=C(C=C1)F)F Z1263820280 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.544 CC1=C(C=CC(=C1Cl)Cl)CCN Z4970349053 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.56 CC(C)C1=CC(=C(C=C1)O)C=O Z336080488 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)Cl Z1198331246 [1,1,0,0,0,0|1,0,1]=4 356 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)F Z1201620068 [1,1,0,0,0,0|1,0,1]=4 357 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)O Z57234303 [1,1,0,0,0,0|0,0,1]=3 358 B12R1.56 COC1=C(C=CC(=C1)C(=O)N)F Z1198168690 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.56 COC1=C(C=CC(=C1)C(=O)N)N Z1126160967 [1,1,0,0,0,0|1,0,1]=4 360 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O Z381356666 [1,1,0,0,0,0|1,0,1]=4 361 B12R1.56 COC1=C(C=CC(=C1)C(C)C)C Z54854001 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.56 COC1=C(C=CC(=C1)C(C)N)F Z1198747325 [1,1,0,0,0,0|1,0,0]=3 363 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O Z415740558 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.78 C#CC1=CC(=C(C=C1)OC)OC Z1080385494 [1,1,0,0,0,0|0,0,2]=4 365 B12R1.78 CCC1=CC(=C(C=C1)C=O)OC Z1511784907 [1,1,0,0,0,0|0,0,1]=3 366 B12R1.78 CNC1=C(C=C(C=C1)OC)OC Z335256774 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.78 CNC1=C(C=CC(=C1)OC)OC Z335266076 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.78 CNC1=CC(=C(C=C1)OC)OC Z1259341013 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.78 COC1=C(C=C(C=C1)C#N)OC Z54604503 [1,1,0,0,0,0|0,0,2]=4 370 B12R1.78 COC1=C(C=C(C=C1)C=O)OC Z53837671 [1,1,0,0,0,0|1,0,1]=4 371 B12R1.78 COC1=C(C=C(C=C1)CN)C#N Z1483956809 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.78 COC1=C(C=C(C=C1)CO)OC Z104477212 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.78 COC1=C(C=CC(=C1)CN)C#N Z2168499581 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.78 COC1=C(C=CC(=C1)SC)C=O Z1255405607 [1,1,0,0,0,0|1,0,1]=4 375 B12R1.78 COC1=CC(=C(C=C1)C=O)OC Z57772445 [1,1,0,0,0,0|1,0,1]=4 376 B12R1.78 COC1=CC(=C(C=C1)CN)OC Z239626460 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.78 COC1=CC(=NC=C1CO)OC Z1862017631 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.300 COC1=C(C(=CC(=C1)C#N)Br)O Z57900370 [1,1,0,0,0,0|0,0,2]=4 379 B12R1.300 COC1=C(C(=CC(=C1)C#N)Cl)O Z57900369 [1,1,0,0,0,0|0,0,2]=4 380 B12R1.300 COC1=C(C(=CC(=C1)C#N)O)O Z3485480896 [1,1,0,0,0,0|0,0,2]=4 381 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O Z57313888 [1,1,0,0,0,0|1,0,1]=4 382 B12R1.300 COC1=C(C(=CC(=C1)C=O)Cl)O Z56948379 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O Z56957506 [1,1,0,0,0,0|1,0,1]=4 384 B12R1.300 COC1=C(C(=CC(=C1)C=O)O)O Z56979310 [1,1,0,0,0,0|1,0,1]=4 385 B12R1.300 COC1=C(C(=CC(=C1)CN)Br)O Z1695669956 [1,1,0,0,0,0|0,0,0]=2 386 B12R1.300 COC1=C(C(=CC(=C1)CO)I)O Z228585292 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.300 COC1=CC(=C(C(=C1)Cl)Br)OC Z2733507276 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.300 COC1=CC(=C(C(=C1)F)Br)OC Z1269206754 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.300 COC1=CC(=C(C(=C1)I)Cl)OC Z2301503441 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.300 COC1=CC(=C(C(=C1)N)Cl)OC Z1262624154 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.300 COC1=CC(=C(C(=C1)N)N)OC Z1262644468 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.449 CCC1=C(C=C(C(=C1)OC)N)C Z2065635599 [1,1,0,0,0,0|1,0,0]=3 393 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O Z57313887 [1,1,0,0,0,0|1,0,1]=4 394 B12R1.449 COC1=C(C=C(C(=C1)C=O)Cl)O Z274515356 [1,1,0,0,0,0|1,0,1]=4 395 B12R1.449 COC1=C(C=C(C(=C1)CN)F)Br Z5385134673 [1,1,0,0,0,0|1,0,0]=3 396 B12R1.449 COC1=CC(=C(C=C1Br)N)OC Z1147474006 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.449 COC1=CC(=C(C=C1I)Cl)OC Z1269206248 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)O Z367679272 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.453 CCC1=CC(=C(C=C1)O)[N+](=O)[O-] Z979482328 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)C Z104483744 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.453 COC1=CC(=C(C=C1)O)C(C)N Z239627178 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.654 CCC1=C(C(=C(C=C1)Cl)CC)N Z104484062 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.654 COC1=C(C(=C(C=C1)Br)OC)O Z2405066060 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.654 COC1=C(C(=C(C=C1)N)OC)Br Z4843437189 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.654 COC1=C(C(=CC=C1O)C=O)Cl Z1198306086 [1,1,0,0,0,0|1,0,1]=4 406 B12R1.654 COC1=C(C(=CC=C1O)C=O)O Z1251357394 [1,1,0,0,0,0|1,0,1]=4 407 B12R1.654 COC1=C(C=CC(=C1C)C=O)O Z1511749564 [1,1,0,0,0,0|1,0,1]=4 408 B14R1.1864 CCC(=O)C1=CC(=C(C=C1)OC)OC Z57952774 [0,2,0,0,0,0|1,0,1]=4 409 B14R1.1864 CCC(N)C1=CC(=C(C=C1)OC)OC Z228582782 [0,2,0,0,0,0|1,0,0]=3 410 B14R1.1864 COC1=C(C=C(C=C1)C(=O)CBr)OC Z56933742 [0,2,0,0,0,0|1,0,1]=4 411 B14R1.1864 COC1=C(C=C(C=C1)C(=O)CN)OC Z3225947271 [0,2,0,0,0,0|0,0,1]=3 412 B14R1.1864 COC1=C(C=C(C=C1)C(=O)NN)OC Z56876392 [0,2,0,0,0,0|1,0,1]=4 413 B14R1.1864 COC1=C(C=C(C=C1)C(O)CN)OC Z1250089989 [0,2,0,0,0,0|0,0,0]=2 414 B14R1.3413 COC1=C(C=CC(=C1)C(F)(F)CN)C Z3925524054 [0,2,0,0,0,0|1,0,0]=3 415 B14R1.881 COC1=C(C=C(C(=C1)CC(=O)O)F)O Z1416167707 [0,2,0,0,0,0|1,0,1]=4 416 B14R1.3405 CNC(=O)CC1=CC(=C(C=C1)C)OC Z196429244 [0,2,0,0,0,0|1,0,1]=4 417 B14R1.3405 COC(=O)CC1=CC(=C(C=C1)O)OC Z1198150768 [0,2,0,0,0,0|1,0,1]=4 418 B14R1.3405 COC1=C(C=CC(=C1)CC(=O)CO)O Z1513806392 [0,2,0,0,0,0|1,0,0]=3 419 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)N)OC Z33546771 [0,2,0,0,0,0|0,0,1]=3 420 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)O)OC Z56924495 [0,2,0,0,0,0|1,0,1]=4 421 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC Z235363001 [0,2,0,0,0,0|0,0,1]=3 422 B14R1.3651 COC1=C(C=C(C=C1)NC(=N)N)OC Z3785974910 [0,2,0,0,0,0|1,0,1]=4 423 B14R1.3651 COC1=C(C=C(C=C1)NC(=S)N)OC Z235362229 [0,2,0,0,0,0|1,0,1]=4 424 B14R1.3651 COC1=C(C=C(C=C1)NC(C)C)OC Z266654414 [0,2,0,0,0,0|2,0,0]=4 425 B14R1.791 CCNCC1=CC(=C(C=C1)O)OCC Z425449648 [0,2,0,0,0,0|1,0,0]=3 426 B14R1.6787 CCOC1=C(C=CC(=C1)CNC)OC Z3277762287 [0,2,0,0,0,0|2,0,0]=4 427 B14R1.793 CCNCC1=CC(=C(C=C1)OC)OC Z89283372 [0,2,0,0,0,0|1,0,0]=3 428 B14R1.793 CNCCC1=CC(=C(C=C1)OC)OC Z316170364 [0,2,0,0,0,0|0,0,0]=2 429 B14R1.793 COC1=C(C=C(C=C1)CCC=O)OC Z1198182687 [0,2,0,0,0,0|1,0,0]=3 430 B14R1.793 COC1=C(C=C(C=C1)CCCN)OC Z336080030 [0,2,0,0,0,0|0,0,0]=2 431 B14R1.793 COC1=C(C=C(C=C1)SCCO)OC Z1251388824 [0,2,0,0,0,0|1,0,0]=3 432 B14R1.3237 COC1=C(C(=CC(=C1)CC#N)Cl)OC Z850046162 [0,2,0,0,0,0|0,0,2]=4 433 B14R1.6788 CCOC1=C(C=C(C=C1)CNC)OC Z56944546 [0,2,0,0,0,0|2,0,0]=4 434 B14R1.10285 CNCC1=C(C(=C(C=C1)OC)OC)Cl Z5213045833 [0,2,0,0,0,0|2,0,0]=4 435 B14R1.10285 COC1=C(C(=C(C=C1)CC#N)Br)OC Z600583798 [0,2,0,0,0,0|0,0,2]=4 436 B14R1.10285 COC1=C(C(=C(C=C1)CC#N)Cl)OC Z733970170 [0,2,0,0,0,0|0,0,2]=4 437 B14R1.14946 C=CCC1=CC(=C(C=C1O)OC)OC Z1251353913 [0,2,0,0,0,0|1,0,1]=4 438 B14R1.14946 CNCC1=C(C=C(C(=C1)OC)OC)Br Z2734776517 [0,2,0,0,0,0|2,0,0]=4 439 B14R1.14946 CNCC1=C(C=C(C(=C1)OC)OC)C Z85928741 [0,2,0,0,0,0|2,0,0]=4 440 B14R1.14946 COC1=C(C=C(C(=C1)Br)CC#N)OC Z90124530 [0,2,0,0,0,0|0,0,2]=4 441 B14R1.14946 COC1=C(C=C(C(=C1)Br)CCN)OC Z3224147572 [0,2,0,0,0,0|0,0,0]=2 442 B14R1.14946 COC1=C(C=C(C(=C1)Br)CNN)OC Z285139166 [0,2,0,0,0,0|1,0,0]=3 443 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(C)O)O Z1513917280 [0,2,0,0,0,0|1,0,1]=4 444 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)C)O Z1255442373 [0,2,0,0,0,0|1,0,0]=3 445 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)Cl Z1269146778 [0,2,0,0,0,0|2,0,0]=4 446 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [0,2,0,0,0,0|1,0,0]=3 447 B14R1.42 COC1=C(C=CC(=C1)CCC(C)N)O Z3324923673 [0,2,0,0,0,0|0,0,0]=2 448 B14R1.907 COC1=C(C=CC(=C1)/C=N/NC=O)O Z49645575 [0,2,0,0,0,0|1,0,1]=4 449 B14R1.3236 CCCC1=CC(=C(C(=C1)OC)O)OC Z57234305 [0,2,0,0,0,0|1,0,0]=3 450 B14R1.3236 COC1=CC(=CC(=C1Br)OC)CCN Z4607559033 [0,2,0,0,0,0|1,0,0]=3 451 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN Z1198150182 [0,2,0,0,0,0|0,0,0]=2 452 B12R2.43 COC1=CC(=CC=C1)C2CO2 Z278165228 [1,0,0,1,0,0|1,0,0]=3 453 B12R2.44 CCC1=CC2=C(C=C1)NCC2 Z1270207865 [1,0,0,1,0,0|1,0,0]=3 454 B12R2.44 COC1=CC2=C(C=C1)NC=C2 Z104507276 [1,0,0,1,0,0|0,0,2]=4 455 B12R2.44 COC1=CC2=C(C=C1)NCC2 Z235539064 [1,0,0,1,0,0|0,0,0]=2 456 B12R2.44 N#CC1=CC2=C(C=C1)NCC2 Z1095349984 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.315 CCC1=C2NCCC2=CC=C1 Z259726232 [1,0,0,1,0,0|1,0,0]=3 458 B12R2.315 COC1=C2CNCC2=CC=C1 Z1198279844 [1,0,0,1,0,0|2,0,0]=4 459 B12R2.315 COC1=C2NC=CC2=CC=C1 Z1192378717 [1,0,0,1,0,0|0,0,2]=4 460 B12R2.315 COC1=C2NN=CC2=CC=C1 Z1198182195 [1,0,0,1,0,0|1,0,1]=4 461 B12R2.315 COC1=C2NN=NC2=CC=C1 Z1862018549 [1,0,0,1,0,0|2,0,0]=4 462 B12R2.315 COC1=C2OCOC2=CC=C1 Z1416163605 [1,0,0,1,0,0|2,0,0]=4 463 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O Z1255490620 [1,0,0,1,0,0|2,0,0]=4 464 B12R2.82 CC1=C(C2=C(C=C1)CCN2)Br Z4966512463 [1,0,0,1,0,0|2,0,0]=4 465 B12R2.82 CC1=C(C=CC2=C1NCC2)Br Z1509171355 [1,0,0,1,0,0|1,0,0]=3 466 B12R2.82 FC1=C(C2=C(C=C1)CCN2)F Z2235823250 [1,0,0,1,0,0|2,0,0]=4 467 B12R2.100 CC1=C(C=C2NCCC2=C1)C Z1203734724 [1,0,0,1,0,0|1,0,0]=3 468 B12R2.100 ClC1=C(C=C2CCNC2=C1)Br Z2327128596 [1,0,0,1,0,0|2,0,0]=4 469 B12R2.100 FC1=C(C=C2CCNC2=C1)Br Z5063074443 [1,0,0,1,0,0|2,0,0]=4 470 B12R2.100 FC1=C(C=C2CCNC2=C1)Cl Z5076484958 [1,0,0,1,0,0|2,0,0]=4 471 B12R2.100 OC1=C(C=C2COCC2=C1)O Z3243446774 [1,0,0,1,0,0|2,0,0]=4 472 B12R2.291 CC1=C(C=C(C=C1)C2CO2)C Z285186472 [1,0,0,1,0,0|2,0,0]=4 473 B12R2.291 OC1=C(C=C(C=C1)C2CC2)Cl Z1575344265 [1,0,0,1,0,0|2,0,0]=4 474 B14R2.2167 COC1=C(C=C2CCC(=O)C2=C1)O Z1255432077 [0,1,0,1,0,0|1,0,1]=4 475 B14R2.2167 COC1=C(C=C2CCC(C2=C1)N)F Z2010010257 [0,1,0,1,0,0|2,0,0]=4 476 B14R2.3163 COC1=C(C=CC(=C1)C2(CC2)N)Br Z4297165510 [0,1,0,1,0,0|2,0,0]=4 477 B14R2.1008 C[C@@H](O)CC1=CC2=C(C=C1)OCO2 Z1198314644 [0,1,0,1,0,0|1,0,0]=3 478 B14R2.1008 C[C@H](O)CC1=CC2=C(C=C1)OCO2 Z1650168507 [0,1,0,1,0,0|1,0,0]=3 479 B14R2.1008 NC(=O)NC1=CC2=C(C=C1)OCO2 Z107732962 [0,1,0,1,0,0|1,0,1]=4 480 B14R2.1008 NC(=S)NC1=CC2=C(C=C1)OCO2 Z291278954 [0,1,0,1,0,0|1,0,1]=4 481 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 Z274782846 [0,1,0,1,0,0|1,0,1]=4 482 B14R2.112 CNCC1=CC2=C(C=C1)OCCO2 Z56347144 [0,1,0,1,0,0|2,0,0]=4 483 B14R2.112 N#CCC1=CC2=C(C=C1)OCCO2 Z382704542 [0,1,0,1,0,0|0,0,2]=4 484 B14R2.112 NCCC1=CC2=C(C=C1)OCCC2 Z2310672485 [0,1,0,1,0,0|1,0,0]=3 485 B14R2.112 NCCC1=CC2=C(C=C1)OCCO2 Z56964368 [0,1,0,1,0,0|0,0,0]=2 486 B14R2.112 OCCC1=CC2=C(C=C1)OCCO2 Z1020779878 [0,1,0,1,0,0|1,0,0]=3 487 B14R2.583 N#CCC1=C(C=C2OCOC2=C1)Br Z802587236 [0,1,0,1,0,0|0,0,2]=4 488 B14R2.583 N#CCC1=C(C=C2OCOC2=C1)Cl Z803130982 [0,1,0,1,0,0|0,0,2]=4 489 B14R2.583 N#CCC1=C(C=C2OCOC2=C1)O Z1939446491 [0,1,0,1,0,0|0,0,2]=4 490 B14R2.583 NNCC1=C(C=C2OCOC2=C1)Br Z425387638 [0,1,0,1,0,0|1,0,0]=3 491 B14R2.82 CNC1=C(C=C2CCCC2=C1)CO Z5476387784 [0,1,0,1,0,0|2,0,0]=4 492 B14R2.82 COC1=C(C=C2CNCC2=C1)OC Z3247510658 [0,1,0,1,0,0|2,0,0]=4 493 B14R2.82 COC1=C(C=C2NCCC2=C1)OC Z259726284 [0,1,0,1,0,0|0,0,0]=2 494 B14R2.82 COC1=C(C=C2NN=CC2=C1)OC Z1198172359 [0,1,0,1,0,0|1,0,1]=4 495 B14R2.991 CCNCC1=CC2=C(C=C1)OCO2 Z57327177 [0,1,0,1,0,0|1,0,0]=3 496 B14R2.991 CNCCC1=CC2=C(C=C1)OCO2 Z2855996247 [0,1,0,1,0,0|0,0,0]=2 497 B14R2.991 N#CCCC1=CC2=C(C=C1)OCC2 Z1198222186 [0,1,0,1,0,0|1,0,1]=4 498 B14R2.991 NCCOC1=CC2=C(C=C1)CCC2 Z744593110 [0,1,0,1,0,0|2,0,0]=4 499 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 Z426041488 [0,1,0,1,0,0|0,0,0]=2 500 B14R2.991 O=CCCC1=CC2=C(C=C1)OCC2 Z1198182674 [0,1,0,1,0,0|2,0,0]=4 501 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 Z104482848 [0,1,0,1,0,0|1,0,1]=4 502 B14R2.1128 COC1=C(C=C2CCCCC2=C1)O Z3241899355 [0,1,0,1,0,0|1,0,0]=3 503 B14R2.1128 COC1=C(C=C2CCNCC2=C1)Cl Z4528212721 [0,1,0,1,0,0|2,0,0]=4 504 B14R2.1128 COC1=C(C=C2CCNCC2=C1)F Z4593255272 [0,1,0,1,0,0|2,0,0]=4 505 B14R2.1128 COC1=C(C=C2CNCCC2=C1)Br Z1416170073 [0,1,0,1,0,0|1,0,0]=3 506 B14R2.1128 COC1=C(C=C2CNCCC2=C1)C Z3067540653 [0,1,0,1,0,0|1,0,0]=3 507 B14R2.1128 COC1=CN2CCNCC2=CC1=O Z4501919113 [0,1,0,1,0,0|1,0,1]=4 508 B14R2.1416 CN1CCC2=C1C=C(C(=C2)C=O)O Z1813169249 [0,1,0,1,0,0|2,0,0]=4 509 B14R2.1416 COC1=C(C=C2C(=O)CCC2=C1)Br Z1269221410 [0,1,0,1,0,0|2,0,0]=4 510 B14R2.1416 COC1=C(C=C2C(=O)CCC2=C1)O Z1198181226 [0,1,0,1,0,0|1,0,0]=3 511 B14R2.587 N#CCC1=CC(=C2OCOC2=C1)Br Z756096416 [0,1,0,1,0,0|0,0,2]=4 512 B14R2.587 NCCC1=CC(=C2OCOC2=C1)Cl Z3241302526 [0,1,0,1,0,0|0,0,0]=2 513 B14R3.3015 C1=CC2=C(C=C1C3CO3)OCO2 Z278165238 [0,0,0,2,0,0|1,0,0]=3 514 B12R1.112 COC1=C(C=CC(=C1)Br)CCN Z1551924124 [0,0,0,0,1,1|1,0,0]=3 515 B12R1.112 COC1=C(C=CC(=C1)F)CCN Z5577629908 [0,0,0,0,1,1|1,0,0]=3 516 B12R1.542 CSC1=C(C=CC=C1Br)CCN Z5033029678 [0,0,0,0,1,1|1,1,0]=4