0 B11R1.17 C=CCCC1=CC=CC=C1Cl OR01877 [0,0,0,0,0,0|1,1,1]=3 1 B11R1.17 CC1=C(CN=C=S)C=CC=C1 OR19491 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.17 CCCCC1=NC=NC=C1Br OR11577 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.17 NC1=C(NCCO)C=CC=C1 OR40747 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.17 NCCOC1=C(Cl)C=CC=C1 OR018709 [0,0,0,0,0,0|3,1,0]=4 5 B11R1.17 OCCOC1=C(O)C=CC=C1 OR59806 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.4 C=CCC1=C(C)C=CC=C1 OR01902 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.4 C=CCC1=C(Cl)C=CC=C1 OR01876 [1,0,0,0,0,0|0,1,2]=4 8 B10R1.4 CCCC1=C(Br)C=NC=N1 OR11573 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.4 CCCC1=CC=CC=C1N OR24905 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.4 CCCC1=CC=CC=C1O OR30121 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.4 CCNC1=C(O)C=CC=C1 OR52438 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.4 CCOC1=C(Br)C=CC=C1 OR9597 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.4 CCOC1=C(N)C=CC=C1 OR6652 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 CCOC1=C(O)C=CC=N1 OR51768 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CCOC1=CC=CN=C1N OR14829 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 CNCC1=C(Cl)N=CC=C1 OR303625 [1,0,0,0,0,0|1,1,0]=3 17 B10R1.4 CNCC1=C(Cl)N=CC=C1 OR45143 [1,0,0,0,0,0|1,1,0]=3 18 B10R1.4 CNCC1=CC=CC=C1C OR110980 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.4 CNCC1=CC=CC=C1Cl OR40030 [1,0,0,0,0,0|0,1,0]=2 20 B10R1.4 COCC1=C(Br)C=CC=C1 OR11434 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.4 N#CCC1=C(Br)C=CC=C1 OR52085 [1,0,0,0,0,0|0,0,2]=3 22 B10R1.4 N#CCC1=C(Cl)C=CC=C1 OR4975 [1,0,0,0,0,0|0,1,2]=4 23 B10R1.4 NC1=C(CCO)C=CC=C1 OR16408 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.4 NOCC1=CC=CC=C1Cl OR6059 [1,0,0,0,0,0|1,1,0]=3 25 B10R1.4 O=C=NC1=CC=CC=C1Br OR30274 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.4 O=CCC1=C(Br)C=CC=C1 OR18812 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.4 O\N=C/C1=C(Br)C=CC=C1 OR3195 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.4 S=C=NC1=C(Br)C=CC=C1 OR3080 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.4 [NH3+]OCC1=CC=CC=C1Br OR6058 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.17 BrCCCC1=CC=CC=C1 OR10084 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.17 BrCCOC1=CC=CC=C1 OR0698 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 C#CCOC1=CC=CC=C1 OR25609 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 C=CCCC1=CC=CC=C1 OR51831 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.17 CCNCC1=CC=CC=C1 OR5309 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.17 CNCCC1=CC=NC=C1 OR12592 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.17 CNCCC1=NC=CC=C1 OR22222 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.17 ClCCSC1=CC=CC=C1 OR10842 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.17 N#CCOC1=CC=CC=C1 OR27351 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.17 NCCCC1=CC=CC=C1 OR5083 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 NCCOC1=CC=CC=C1 OR27353 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 O=C=NCC1=CC=CC=C1 OR30456 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 OCCNC1=CC=CC=C1 OR42170 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.17 OCCOC1=CC=CC=C1 OR4481 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 S=C=NCC1=CC=CC=C1 OR3098 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 [O-]CCNC1=CC=CC=C1 OR55494 [1,0,0,0,0,0|3,0,0]=4 46 B12R1.125 CC(C)CCC1=C(Br)C=NC=N1 OR11584 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 OR3083 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.125 O=C(O)CCC1=CC=CC=C1I OR6479 [0,1,0,0,0,0|2,1,0]=4 49 B12R1.267 CCCCCC1=C(Br)C=NC=N1 OR11586 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.267 CCCCOC1=C(N)C=CC=C1 OR6648 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.267 NCCSCC1=CC=CC=C1Cl OR29429 [0,1,0,0,0,0|2,1,0]=4 52 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 OR70221 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 OR3593 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.308 CCOC(=O)C1=CC=CC=C1Br OR26844 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.308 N#CCC(=O)C1=C(Br)C=CC=C1 OR7014 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 OR3229 [0,1,0,0,0,0|1,0,1]=3 57 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 OR52466 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.371 COC(=O)CC1=CC=CC=C1Cl OR59965 [0,1,0,0,0,0|1,1,1]=4 59 B12R1.374 BrCCOC1=C(Br)C=CC(Br)=C1 OR14765 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.24 CC1CNC2=CC=CC=C2O1 OR40370 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.24 CC1CNC2=CC=CC=C2S1 OR61156 [0,0,0,1,0,0|3,0,0]=4 62 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 OR4829 [0,0,0,1,0,0|3,0,0]=4 63 B12R2.32 NCC1CC2=CC=CC=C2O1 OR1366 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.32 OCC1CC2=CC=CC=C2N1 OR14016 [0,0,0,1,0,0|3,0,0]=4 65 B12R2.32 OCC1CC2=CC=CC=C2O1 OR1427 [0,0,0,1,0,0|3,0,0]=4 66 B12R2.41 C1=CC2=C(C=C1)CCNCC2 OR318069 [0,0,0,1,0,0|1,0,0]=2 67 B12R2.41 C1=CC=C2NCCCNC2=C1 OR01712 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.41 C1=CC=C2NCCNCC2=C1 OR01713 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 OR40122 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 OR9629 [0,0,0,1,0,0|0,0,2]=3 71 B12R2.196 CN1N=CC2=C(O)C=CC=C21 OR30842 [0,0,0,1,0,0|2,0,1]=4 72 B12R2.196 CN1N=CC2=C1C=CC=C2Br OR60015 [0,0,0,1,0,0|1,0,1]=3 73 B12R2.196 CN1N=CC2=C1C=CC=C2N OR2151 [0,0,0,1,0,0|2,0,1]=4 74 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 OR17021 [0,0,0,1,0,0|2,0,0]=3 75 B12R2.196 O=C1CCC2=C(O)C=CC=C12 OR18351 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.196 O=C1NCC2=C1C=CC=C2Br OR305271 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 OR301006 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.1081 BrC1=CC=CC2=C1CCNC2 OR18818 [0,0,0,1,0,0|0,0,0]=1 79 B12R2.1081 BrC1=CC=CC2=C1CCNC2 OR301021 [0,0,0,1,0,0|0,0,0]=1 80 B12R2.1081 BrC1=CC=CC2=C1OCCO2 OR310217 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.1081 CC1=C2NCCCC2=CC=C1 OR21112 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.1081 NC1=C2CCCCC2=CC=C1 OR30451 [0,0,0,1,0,0|2,0,0]=3 83 B12R2.1081 NC1=CC=CC2=C1CCNC2 OR110180 [0,0,0,1,0,0|1,0,0]=2 84 B12R2.1081 OC1=C2NCCCC2=CC=C1 OR954020 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.8 BrCCC1=CC=CC=C1 OR46084 [2,0,0,0,0,0|1,0,0]=3 86 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320066 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320067 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.8 CCCC1=CC=NC=C1 OR13622 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.8 CCNC1=CC=CC=C1 OR8988 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.8 CCOC1=NC=CC=C1 OR40436 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.8 CNCC1=CC=CC=C1 OR12500 [2,0,0,0,0,0|0,0,0]=2 92 B9R1.8 CNCC1=CC=CN=C1 OR30155 [2,0,0,0,0,0|1,0,0]=3 93 B9R1.8 CNCC1=CC=NC=C1 OR12591 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.8 CNCC1=CC=NC=C1 OR318010 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.8 CNCC1=NC=CC=C1 OR12501 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.8 CNCC1=NC=CC=C1 OR51995 [2,0,0,0,0,0|1,0,0]=3 97 B9R1.8 COCC1=NC=CC=C1 OR13609 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.8 ClCCC1=NC=CC=C1 OR303592 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.8 ClCSC1=CC=CC=C1 OR0789 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.8 Cl[Mg]CC1=CC=CC=C1 OR320070 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.8 N#CCC1=CC=CC=C1 OR5457 [2,0,0,0,0,0|0,0,2]=4 102 B9R1.8 NCCC1=CC=NC=C1 OR2022 [2,0,0,0,0,0|1,0,0]=3 103 B9R1.8 NCCC1=NC=CC=C1 OR28599 [2,0,0,0,0,0|1,0,0]=3 104 B9R1.8 NCCC1=NC=CN=C1 OR1046 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.8 NNCC1=CC=CC=C1 OR5636 [2,0,0,0,0,0|1,0,0]=3 106 B9R1.8 NNCC1=CC=NC=C1 OR0207 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.8 NOCC1=CC=CC=C1 OR15742 [2,0,0,0,0,0|1,0,0]=3 108 B9R1.8 NOCC1=CC=CC=C1 OR30224 [2,0,0,0,0,0|1,0,0]=3 109 B9R1.8 OCCC1=CC=CN=C1 OR0520 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.8 OCCC1=CC=NC=C1 OR13623 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.8 OCCC1=NC=CC=C1 OR13610 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.8 ONCC1=CC=CC=C1 OR51891 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.8 SCCC1=CC=NC=C1 OR8898 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.8 SCCC1=NC=CC=C1 OR305591 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.15 BrCC1=C(Br)C=CC=C1 OR4356 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.15 BrCC1=CC=CC=C1I OR13072 [2,0,0,0,0,0|1,1,0]=4 117 B9R1.15 BrCC1=CC=CN=C1Br OR60069 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.15 C#CC1=C(Br)C=CC=C1 OR42231 [2,0,0,0,0,0|0,0,2]=4 119 B9R1.15 C=CC1=C(Br)C=CC=C1 OR3099 [2,0,0,0,0,0|0,0,2]=4 120 B9R1.15 CC1=C(NN)C=CC=C1 OR4871 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.15 CC1=CC=CC=C1CBr OR350233 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.15 CC1=CC=CC=C1CCl OR28627 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.15 CC1=CC=CC=C1CS OR30176 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.15 CC1=CC=CN=C1CN OR52052 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.15 CCC1=C(Br)C=CC=C1 OR4187 [2,0,0,0,0,0|0,0,0]=2 126 B9R1.15 CCC1=C(Br)C=NC=N1 OR11580 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.15 CCC1=C(O)C=CC=C1 OR16005 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.15 CCC1=CC=CC=C1I OR30075 [2,0,0,0,0,0|0,1,0]=3 129 B9R1.15 CNC1=C(Br)C=CC=C1 OR11598 [2,0,0,0,0,0|0,0,0]=2 130 B9R1.15 CNC1=C(Br)C=NC=C1 OR17660 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.15 CNC1=C(O)C=CC=C1 OR5095 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.15 CNC1=CC=CC=C1Cl OR30110 [2,0,0,0,0,0|0,1,0]=3 133 B9R1.15 CNC1=CC=CC=C1N OR30623 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.15 COC1=C(C)C=CC=C1 OR9430 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 COC1=C(I)C=CC=C1 OR4678 [2,0,0,0,0,0|1,1,0]=4 136 B9R1.15 COC1=C(S)C=CC=C1 OR4848 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.15 COC1=CC=CC=C1Br OR28661 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.15 COC1=CC=CC=C1O OR10036 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.15 COC1=CC=CN=C1Br OR7550 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.15 COC1=NC=CC=C1Br OR59385 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.15 CSC1=C(Br)C=CC=C1 OR30479 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.15 CSC1=C(Cl)C=CC=C1 OR0032 [2,0,0,0,0,0|1,1,0]=4 143 B9R1.15 CSC1=C(N)C=CC=C1 OR4955 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.15 ClC1=C(CBr)C=CC=C1 OR5033 [2,0,0,0,0,0|1,1,0]=4 145 B9R1.15 N#CC1=C(Br)C=CC=C1 OR3827 [2,0,0,0,0,0|0,0,2]=4 146 B9R1.15 NC1=CC=CC=C1CO OR10943 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.15 NCC1=C(Br)C=CC=C1 OR6194 [2,0,0,0,0,0|0,0,0]=2 148 B9R1.15 NCC1=C(Cl)C=CC=C1 OR5025 [2,0,0,0,0,0|0,1,0]=3 149 B9R1.15 NCC1=C(O)C=CC=C1 OR12317 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.15 NCC1=CC=CC=C1Br OR2159 [2,0,0,0,0,0|0,0,0]=2 151 B9R1.15 NCC1=NC=CC=C1Br OR307010 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.15 NCC1=NC=CC=C1Br OR55277 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.15 NNC1=C(Br)C=CC=C1 OR7758 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.15 NNC1=C(Cl)C=CC=C1 OR3994 [2,0,0,0,0,0|1,1,0]=4 155 B9R1.15 NNC1=C(Cl)C=CC=C1 OR6508 [2,0,0,0,0,0|1,1,0]=4 156 B9R1.15 O=CC1=C(Br)C=CC=C1 OR13136 [2,0,0,0,0,0|1,0,1]=4 157 B9R1.15 OCC1=C(Br)C=CC=C1 OR2107 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.15 OCC1=C(Cl)C=CC=C1 OR5737 [2,0,0,0,0,0|1,1,0]=4 159 B9R1.15 OCC1=C(I)C=CC=C1 OR2334 [2,0,0,0,0,0|1,1,0]=4 160 B9R1.15 OCC1=C(O)C=CC=C1 OR10954 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 OCC1=NC=CC=C1Br OR60200 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.15 SCC1=C(Br)C=CC=C1 OR10684 [2,0,0,0,0,0|1,0,0]=3 163 B11R1.41 CCOC1=CC=CC=C1NN OR13490 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.41 COC1=C(CNN)C=CC=C1 OR7920 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.81 CCNC1=C(N)C=C(Cl)C=C1 OR0209 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.81 CCOC1=C(N)C=C(C)C=C1 OR17677 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.81 CCOC1=CC=C(N)C=C1N OR110946 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.81 CCOC1=NC=C(C)C=C1Br OR15991 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 OR16839 [1,1,0,0,0,0|0,1,0]=3 170 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl OR1548 [1,1,0,0,0,0|0,1,0]=3 171 B11R1.86 CC(=O)CC1=CC=CC=C1Cl OR23885 [1,1,0,0,0,0|0,1,1]=4 172 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 OR4339 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 OR4289 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 OR3745 [1,1,0,0,0,0|0,0,0]=2 175 B11R1.86 CN(C)CC1=C(I)C=CC=C1 OR6960 [1,1,0,0,0,0|0,1,0]=3 176 B11R1.86 CN(C)CC1=CC=CC=C1N OR305010 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 OR11296 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 OR4344 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.182 N#CCC1=C(Br)C=CC(I)=C1 OR400041 [1,1,0,0,0,0|0,0,2]=4 180 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 OR17810 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 OR70220 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.222 CCC(C)C1=C(Br)C=NC=N1 OR11574 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 OR3594 [1,1,0,0,0,0|0,0,1]=3 184 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 OR1843 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.222 COC(=O)C1=CC=CC=C1Br OR26843 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 OR12960 [1,1,0,0,0,0|0,1,0]=3 187 B11R1.222 O=C(CBr)C1=C(Br)C=CC=C1 OR46231 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.222 O=C(CBr)C1=C(Br)C=CC=C1 OR9900 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl OR110982 [1,1,0,0,0,0|0,1,0]=3 190 B11R1.1 C=CCCC1=CC=C(Br)C=C1 OR01869 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.1 C=CCCC1=CC=C(C)C=C1 OR01923 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 OR01895 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.1 CCCCC1=CC=C(Br)C=C1 OR1467 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.1 CCCCC1=CC=C(Cl)C=C1 OR3170 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.1 CCCCC1=CC=C(O)C=C1 OR22100 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 OR1591 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.1 N#CCCC1=CC=C(Br)C=C1 OR3087 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.1 N#CCCC1=CC=C(O)C=C1 OR28168 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.1 OCCCC1=CC=C(Br)C=C1 OR311243 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.1 OCCCC1=CC=C(Cl)C=C1 OR0287 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.16 C#CCC(N)C1=CC=CC=C1 OR14851 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.16 CCCC(=O)C1=CC=CC=C1 OR60127 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.16 CCCC(N)C1=CN=CC=C1 OR470277 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.16 COC[C@H](N)C1=CC=CC=C1 OR316004 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.16 N#CCC(O)C1=CC=CC=C1 OR2846 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.16 NC(CCO)C1=CC=CC=C1 OR43504 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 OR24573 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.24 C=CCCC1=CC=CC(Br)=C1 OR01861 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.24 C=CCCC1=CC=CC(Cl)=C1 OR01885 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.24 N#CCCC1=CC(Br)=CC=C1 OR3086 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.28 BrCCCCC1=CC=CC=C1 OR8178 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.28 C#CCCCC1=CC=CC=C1 OR5277 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.28 C=CCNCC1=CC=CC=C1 OR906976 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.28 CCCCCC1=NC=CC=C1 OR27869 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.28 CCCCNC1=CC=CC=C1 OR18275 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.28 CNCCCC1=CC=CC=C1 OR12552 [1,1,0,0,0,0|0,0,0]=2 217 B11R1.28 CNCCOC1=CC=CC=C1 OR0179 [1,1,0,0,0,0|0,0,0]=2 218 B11R1.28 ClCCNCC1=CC=CC=C1 OR24839 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.28 NCCCCC1=CC=CC=C1 OR5084 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.28 NCCNCC1=CC=CC=C1 OR28924 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.28 NCCOCC1=CC=CC=C1 OR14357 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.28 NCCOCC1=CC=CC=C1 OR51851 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.28 NOCCOC1=CC=CC=C1 OR12930 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.28 O=C=NCCC1=CC=CC=C1 OR11236 [1,1,0,0,0,0|0,0,2]=4 225 B11R1.28 O=CCOCC1=CC=CC=C1 OR43518 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.28 OCCCCC1=CC=CC=C1 OR0769 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.40 CNC(=O)CC1=CC=CC=C1 OR16469 [1,1,0,0,0,0|0,0,1]=3 228 B11R1.40 NCC(O)CC1=CC=CC=C1 OR12967 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.40 NNC(=O)CC1=CC=CC=C1 OR310651 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 OR8744 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.91 CC(=O)CSC1=CC=CC=C1 OR8634 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.91 CC(N)CCC1=CC=CC=C1 OR5082 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.91 CN(C)CCC1=NC=CC=C1 OR28892 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 OR304056 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 OR28743 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.91 O=C(O)CCC1=CC=CC=C1 OR10046 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.91 OB(O)CCC1=CC=CC=C1 OR4006 [1,1,0,0,0,0|2,0,0]=4 238 B13R1.369 CCCCCC1=CC=C(C)C=C1O OR30625 [0,2,0,0,0,0|2,0,0]=4 239 B13R1.90 C=C(C)CCC1=CC=CC=C1C#N OR01943 [0,2,0,0,0,0|2,0,0]=4 240 B13R1.157 CC(C)(O)CCC1=CC=CC=C1O OR25416 [0,2,0,0,0,0|2,0,0]=4 241 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O OR14693 [0,2,0,0,0,0|2,0,0]=4 242 B13R1.202 N[C@H](CC1=C(Br)C=CC=C1)C(=O)O OR14694 [0,2,0,0,0,0|2,0,0]=4 243 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=C1 OR26136 [0,2,0,0,0,0|1,0,1]=4 244 B11R2.10 CC1CC2=C(C=CC=C2)N1 OR10176 [1,0,0,1,0,0|1,0,0]=3 245 B11R2.10 NC1CC2=CC=CC=C2C1 OR28935 [1,0,0,1,0,0|1,0,0]=3 246 B11R2.10 NC1CC2=CC=CC=C2C1 OR30439 [1,0,0,1,0,0|1,0,0]=3 247 B11R2.10 OC1CC2=CC=CC=C2C1 OR30507 [1,0,0,1,0,0|2,0,0]=4 248 B11R2.20 C1=CC2=C(C=C1)CNCC2 OR6521 [1,0,0,1,0,0|1,0,0]=3 249 B11R2.20 C1=CC2=C(C=C1)OCCN2 OR15168 [1,0,0,1,0,0|2,0,0]=4 250 B11R2.20 C1=CC2=C(CCCC2)N=C1 OR350369 [1,0,0,1,0,0|2,0,0]=4 251 B11R2.20 C1=CC=C2COCCC2=C1 OR28756 [1,0,0,1,0,0|2,0,0]=4 252 B11R2.20 C1=CC=C2NCCCC2=C1 OR5166 [1,0,0,1,0,0|1,0,0]=3 253 B11R2.20 C1=CC=C2NCCNC2=C1 OR01714 [1,0,0,1,0,0|2,0,0]=4 254 B11R2.20 C1=CC=C2OCCOC2=C1 OR4961 [1,0,0,1,0,0|2,0,0]=4 255 B11R2.20 C1=NC=C2CNCCC2=C1 OR313062 [1,0,0,1,0,0|2,0,0]=4 256 B11R2.55 BrC1=C(C2CC2)C=CC=C1 OR307196 [1,0,0,1,0,0|0,0,0]=2 257 B11R2.55 OC1=C(C2CC2)C=CC=C1 OR70019 [1,0,0,1,0,0|1,0,0]=3 258 B11R2.106 BrC1=C2C=NNC2=CC=C1 OR12759 [1,0,0,1,0,0|1,0,1]=4 259 B11R2.106 BrC1=C2N=CNC2=CC=C1 OR16442 [1,0,0,1,0,0|1,0,1]=4 260 B11R2.106 BrC1=CC=CC2=C1C=CN2 OR5639 [1,0,0,1,0,0|0,0,2]=4 261 B11R2.106 BrC1=CC=CC2=C1OCO2 OR23021 [1,0,0,1,0,0|2,0,0]=4 262 B11R2.106 ClC1=CC=CC2=C1CCN2 OR61177 [1,0,0,1,0,0|0,1,0]=3 263 B11R2.106 NC1=C2CCCC2=CC=C1 OR11115 [1,0,0,1,0,0|1,0,0]=3 264 B11R2.1 CN1C=CC2=C1C=CC=C2 OR11669 [1,0,0,1,0,0|0,0,2]=4 265 B11R2.1 CN1C=NC2=C1C=CC=C2 OR46520 [1,0,0,1,0,0|1,0,1]=4 266 B11R2.1 CN1CCC2=CC=CC=C21 OR346348 [1,0,0,1,0,0|0,0,0]=2 267 B11R2.1 NC1CCC2=C1C=CC=C2 OR11114 [1,0,0,1,0,0|2,0,0]=4 268 B11R2.1 NC1CCC2=CC=CC=C21 OR3610 [1,0,0,1,0,0|2,0,0]=4 269 B11R2.1 NN1CCC2=C1C=CC=C2 OR7783 [1,0,0,1,0,0|1,0,0]=3 270 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 OR46214 [1,0,0,1,0,0|2,0,0]=4 271 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 OR30437 [1,0,0,1,0,0|2,0,0]=4 272 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 OR30654 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.1 O=C1CCC2=C1C=CC=C2 OR6561 [1,0,0,1,0,0|2,0,0]=4 274 B11R2.1 OC1CCC2=C1C=CC=C2 OR6504 [1,0,0,1,0,0|2,0,0]=4 275 B11R2.4 CC1NC1C2=CC=CC=C2 OR340189 [1,0,0,1,0,0|2,0,0]=4 276 B11R2.4 NC1CC1C2=CC=CC=C2 OR944624 [1,0,0,1,0,0|2,0,0]=4 277 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR16696 [1,0,0,1,0,0|2,0,0]=4 278 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR310537 [1,0,0,1,0,0|2,0,0]=4 279 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR53161 [1,0,0,1,0,0|2,0,0]=4 280 B11R2.238 C1=CC=C(SC2CC2)C=C1 OR18541 [1,0,0,1,0,0|2,0,0]=4 281 B11R2.239 C1=CC=C(C2CNC2)N=C1 OR303854 [1,0,0,1,0,0|1,0,0]=3 282 B13R2.5180 CC1=CC=C2C(=C1Br)C=NN2C OR40124 [0,1,0,1,0,0|1,0,1]=4 283 B13R2.328 ClC1=CC(Br)=C2CCNCC2=C1 OR55276 [0,1,0,1,0,0|0,0,0]=2 284 B13R2.3742 CC1=CC(Br)=C2C=NN(C)C2=C1 OR40125 [0,1,0,1,0,0|1,0,1]=4 285 B13R2.57 BrCC1CCC2=CC=CC=C2O1 OR18107 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.57 OCC1CCC2=CC=CC=C2O1 OR14501 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.1613 N#CC1=CC=CC2=C1CCNC2 OR313060 [0,1,0,1,0,0|1,0,0]=3 288 B13R2.222 CC1(C)CCC2=CC=CC=C2O1 OR25413 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.18 BrC1=CC=CC=C1C2OCCO2 OR4329 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.18 CC1=CC=CC=C1C2CCCN2 OR12510 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.18 ClC1=CC=CC=C1C2CCCN2 OR12509 [0,1,0,1,0,0|1,1,0]=4 292 B13R2.18 NC1=C(N2CCCC2)C=CC=C1 OR8694 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.342 O=C1CCCC2=C1C=CC=C2Br OR14757 [0,1,0,1,0,0|1,0,1]=4 294 B13R2.3569 CC1=CC=CC=C1C2(N)COC2 OR40705 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.3569 NC1(C2=C(Cl)C=CC=C2)CCC1 OR61234 [0,1,0,1,0,0|1,1,0]=4 296 B13R2.3569 NC1(C2=C(Cl)C=CC=C2)COC1 OR61144 [0,1,0,1,0,0|1,1,0]=4 297 B13R2.4857 CC1=NN(C)C2=CC=CC(Br)=C21 OR40123 [0,1,0,1,0,0|1,0,1]=4 298 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2Br OR30753 [0,1,0,1,0,0|0,0,1]=3 299 B13R2.4825 CN1C2=CC=CC(Br)=C2N=C1Cl OR52093 [0,1,0,1,0,0|1,0,1]=4 300 B13R2.5151 CC1=C2C(=C(Br)C=C1)C=NN2C OR40126 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.33 CNCC1=C(C)C=CO1 OR15949 [1,0,0,0,1,0|2,0,0]=4 302 B9R1.33 CNCC1=C(C)OC=C1 OR12288 [1,0,0,0,1,0|2,0,0]=4 303 B9R1.33 CNCC1=CSC=C1Br OR15369 [1,0,0,0,1,0|1,0,0]=3 304 B9R1.12 CCCCC1=CC=CO1 OR3223 [1,0,0,0,1,0|2,0,0]=4