0 B10R1.4 C1=CC(=C(CC#N)N=C1)Br LN01807755 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.4 C1=CC(=C(CC#N)N=C1)F LN02162536 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.4 C1=CC=C(C(=C1)CC=O)Br LN00181697 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.4 C1=CC=C(C(=C1)CC=O)Cl LN00180075 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.4 C1=CC=C(C(=C1)CC=O)F LN00181093 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.4 C1=CC=C(C(=C1)CCO)Br LN00142608 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.4 C1=CC=C(C(=C1)CCO)Cl LN00192290 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.4 CC1=C(CON)C=CC=C1 AC010097 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.4 CC1=CC=CC=C1CC#N AC512146 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.4 CC1=CC=CC=C1CC=O LN00181191 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.4 CC1=CC=CC=C1N=CO LN00241919 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.4 CCOC1=CC=CC=C1N AC190317 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.4 NCCC1=CC=CC=C1N AC070086 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.4 NCCC1=CC=CC=C1O AC050448 [0,0,0,0,0,0|0,0,0]=0 14 B10R1.4 O/N=C/C1=CC=CC=C1F AC051165 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.4 OCCC1=CC=CC=C1Br AC180682 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 BrC#CC1=CC=CC=C1 AC511272 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 CNCC1=CC=CC=C1 AC500163 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 NCCC1=CC=CN=C1 AC500060 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 NNCC1=CC=CC=C1 AC500254 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 OCCC1=CC=NC=C1 AC511725 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 OCCC1=NC=CN=C1 AC051081 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 ONCC1=CC=CC=C1 AC180467 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.15 BrC1=C(C=O)C=CC=C1 AC190053 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.15 BrC1=CC=CC=C1C#N AC500253 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.15 BrCC1=C(Br)C=CC=C1 AC500309 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.15 BrCC1=C(I)C=CC=C1 AC510755 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.15 C1=CC(=C(C=O)N=C1)O LN00121425 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.15 C1=CC=C(C(=C1)CO)Br LN00009848 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.15 CC1=CC=CC=C1C=O AC511038 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.15 CC1=CC=CC=C1CN AC190306 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.15 CC1=NC=CC=C1CO LN00004952 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.15 CCC1=CC=CC=C1Br AC500247 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.15 CCC1=NC=CC=C1O LN00004884 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.15 CNC1=C(O)C=CC=C1 AC512071 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.15 CNC1=CC=CC=C1N AC511708 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.15 CNC1=CC=CC=C1N LN01309502 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.15 COC1=C(Br)C=CC=C1 AC510848 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.15 COC1=C(Br)C=NC=C1 AC210036 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.15 COC1=C(I)C=CC=C1 AC510814 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.15 COC1=C(N)C=NC=C1 AC030137 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.15 COC1=CC=CC=C1O AC190186 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.15 COC1=CC=CN=C1Br AC500269 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.15 COC1=CC=CN=C1Cl AC181653 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.15 COC1=CC=CN=C1N AC511905 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.15 COC1=CC=NC=C1Cl LN01322749 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.15 COC1=NC=CC=C1Br AC181597 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.15 COC1=NC=CC=C1Cl AC181590 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.15 COC1=NC=CC=C1I AC181562 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 ClC1=C(C=CC=C1)C#C AC180982 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.15 ClC1=CC=CC=C1C=O AC190062 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.15 ClC1=CC=CC=C1CBr AC180009 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.15 FC1=C(C=CC=C1)C#N AC511685 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.15 FC1=C(CBr)C=CC=C1 AC510775 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.15 FC1=CC=CC=C1C=O AC510338 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.15 NC1=C(C=O)C=CC=C1 AC510813 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.15 NC1=C(CO)C=CC=N1 AC181888 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.15 NC1=CC=CC=C1CO AC511831 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 NCC1=C(Br)C=CC=C1 AC500061 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.15 NCC1=C(F)C=CC=C1 AC190246 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.15 NCC1=CC=CC=C1O AC181137 [1,0,0,0,0,0|0,0,0]=1 63 B9R1.15 NCC1=NC=CN=C1Cl AC182522 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.15 NNC1=CC=CC=C1Cl AC180294 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.15 NNC1=NC=CC=C1Cl AC181379 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 OC1=C(C=CC=C1)C#N AC511758 [1,0,0,0,0,0|0,0,2]=3 67 B9R1.15 OC1=C(C=O)C=CC=C1 AC190207 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.15 OC1=C(C=O)C=CN=C1 AC511223 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.15 OC1=CC=CN=C1C#N AC511818 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.15 OC1=CC=CN=C1C=O AC270030 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.15 OCC1=C(Br)C=NC=C1 AC182666 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 OCC1=C(F)C=NC=C1 AC160575 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.15 OCC1=CC=CC=C1Br AC230033 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.15 OCC1=CC=CC=C1I AC511037 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.15 OCC1=CC=CN=C1Cl AC181378 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 OCC1=CC=CN=C1F AC181533 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.13 FC1=CC=CC(CC#N)=C1F AC180558 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.41 COC1=C(C=CC=C1)N=C=O AC190280 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.41 COC1=C(CCN)C=CC=C1 AC020413 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.41 COC1=CC=CC=C1CC=O LN00180481 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.41 COC1=CC=CC=C1CCO AC180052 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl AC180477 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.81 FC1=CC(Br)=CC=C1CC#N AC182101 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.86 C1=CC=C(C(=C1)CC(=N)N)Cl LN00242261 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br LN00124676 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.86 CC(=O)CC1=CC=CC=C1Br AC511603 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.86 CC(C)OC1=CC=CC=C1N AC180979 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.86 NC1=CC=CC=C1OC(F)F AC030138 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.86 OC(=O)CC1=C(I)C=CC=C1 AC510681 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.86 OC(=O)CC1=C(O)C=CC=C1 AC130768 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.182 C1=C(C=C(CCO)C(=C1)F)F LN00217841 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.182 CC1=CC=C(F)C=C1CC#N AC181263 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.222 C1=CC=C(C(=C1)[C@@H](CO)N)Cl LN02026918 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 AC060049 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 AC030031 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.222 FC1=CC=CC=C1C(=O)CBr AC190234 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.222 NNC(=O)C1=CC=CC=C1O AC190220 [0,1,0,0,0,0|1,0,1]=3 99 B11R2.10 BrC1=CC2=C(C1)C=CC=C2 AC182055 [0,0,0,1,0,0|2,0,1]=4 100 B11R2.10 C1=CC=C2CC(CC2=C1)N LN00008840 [0,0,0,1,0,0|1,0,0]=2 101 B11R2.10 NC1=NC2=C(N1)C=CC=C2 AC190065 [0,0,0,1,0,0|2,0,1]=4 102 B11R2.10 NC1=NC2=CC=CC=C2O1 AC510780 [0,0,0,1,0,0|1,0,1]=3 103 B11R2.10 O=C1CC2=C(N1)C=CC=C2 AC021698 [0,0,0,1,0,0|2,0,1]=4 104 B11R2.10 O=C1CC2=C(O1)C=CC=C2 AC021054 [0,0,0,1,0,0|1,0,1]=3 105 B11R2.10 OC1CC2=C(C1)C=CC=C2 AC511852 [0,0,0,1,0,0|2,0,0]=3 106 B11R2.20 C1CC2=C(C=C1)C=CC=C2 AC220111 [0,0,0,1,0,0|2,0,0]=3 107 B11R2.20 C1CC2=C(CN1)C=CC=C2 AC180179 [0,0,0,1,0,0|1,0,0]=2 108 B11R2.20 C1CC2=C(CN1)C=CC=N2 AC050259 [0,0,0,1,0,0|2,0,0]=3 109 B11R2.20 C1CC2=C(CN1)C=NC=N2 AC182554 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.20 C1CC2=C(CN1)N=CC=C2 AC050313 [0,0,0,1,0,0|2,0,0]=3 111 B11R2.20 C1CC2=C(CO1)C=CC=C2 AC180186 [0,0,0,1,0,0|2,0,0]=3 112 B11R2.20 C1CC2=CC=NC=C2CN1 AC050321 [0,0,0,1,0,0|2,0,0]=3 113 B11R2.20 C1CCC2=C(C1)C=CC=N2 AC180175 [0,0,0,1,0,0|3,0,0]=4 114 B11R2.20 C1CNC2=CC=CC=C2C1 AC180172 [0,0,0,1,0,0|2,0,0]=3 115 B11R2.20 C1COC2=C(N1)C=CC=C2 AC511129 [0,0,0,1,0,0|2,0,0]=3 116 B11R2.55 FC1=NC=CC=C1C2CC2 AC040078 [0,0,0,1,0,0|3,0,0]=4 117 B11R2.106 BrC1=C2C=NNC2=CC=C1 AC500240 [0,0,0,1,0,0|2,0,1]=4 118 B11R2.106 BrC1=C2N=CNC2=CC=C1 AC511076 [0,0,0,1,0,0|2,0,1]=4 119 B11R2.106 BrC1=C2OCCC2=CC=C1 AC182423 [0,0,0,1,0,0|3,0,0]=4 120 B11R2.106 BrC1=CC=CC2=C1C=CN2 AC130104 [0,0,0,1,0,0|1,0,2]=4 121 B11R2.106 C1=CC(=C2C=NNC2=C1)I LN01327404 [0,0,0,1,0,0|2,0,1]=4 122 B11R2.106 C1CC2=C(C1)C(=CC=C2)Br LN02012267 [0,0,0,1,0,0|2,0,0]=3 123 B11R2.106 CC1=C2C=CNC2=CC=C1 AC180105 [0,0,0,1,0,0|1,0,2]=4 124 B11R2.106 CC1=C2CNCC2=CC=C1 LN02028017 [0,0,0,1,0,0|3,0,0]=4 125 B11R2.106 CC1=CC=CC2=C1C=CN2 LN00002359 [0,0,0,1,0,0|1,0,2]=4 126 B11R2.106 CC1=CC=CC2=C1C=NN2 AC181931 [0,0,0,1,0,0|2,0,1]=4 127 B11R2.106 CC1=CC=CC2=C1N=CN2 LN00005407 [0,0,0,1,0,0|2,0,1]=4 128 B11R2.106 ClC1=CC=CC2=C1C=CN2 AC180104 [0,0,0,1,0,0|1,0,2]=4 129 B11R2.106 ClC1=CC=CC2=C1C=NN2 AC020963 [0,0,0,1,0,0|2,0,1]=4 130 B11R2.106 ClC1=CC=CC2=C1CNC2 AC051023 [0,0,0,1,0,0|3,0,0]=4 131 B11R2.106 FC1=CC=CC2=C1C=CN2 AC160420 [0,0,0,1,0,0|1,0,2]=4 132 B11R2.106 FC1=CC=CC2=C1C=NN2 AC182118 [0,0,0,1,0,0|2,0,1]=4 133 B11R2.106 NC1=C2CCOC2=CC=C1 AC512103 [0,0,0,1,0,0|2,0,0]=3 134 B11R2.106 NC1=C2OCCC2=CC=C1 AC060038 [0,0,0,1,0,0|3,0,0]=4 135 B11R2.106 NC1=CC=CC2=C1C=CN2 AC181189 [0,0,0,1,0,0|1,0,2]=4 136 B11R2.106 OC1=C2N=CSC2=CC=C1 AC511237 [0,0,0,1,0,0|2,0,1]=4 137 B11R2.106 OC1=CC=CC2=C1C=CN2 AC160354 [0,0,0,1,0,0|0,0,2]=3 138 B11R2.106 OC1=CC=CC2=C1C=NN2 AC182074 [0,0,0,1,0,0|1,0,1]=3 139 B11R2.106 OC1=CC=CC2=C1NN=C2 AC181032 [0,0,0,1,0,0|3,0,0]=4 140 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 AC050709 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.2 BrCC1=CC=CN=C1 AC190295 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 BrCC1=CC=NC=C1 AC190236 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.2 BrCC1=NC=CC=C1 AC190262 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 CNC1=NC=CC=C1 AC500327 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 COC1=CC=NC=C1 AC510883 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.2 ClCC1=CC=CC=N1 AC510931 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 ClCC1=CC=CN=C1 AC190048 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 NCC1=CC=CN=C1 AC512081 [2,0,0,0,0,0|1,0,0]=3 149 B8R1.2 NCC1=CC=NC=C1 AC510741 [2,0,0,0,0,0|1,0,0]=3 150 B8R1.2 NCC1=CC=NC=N1 AC511312 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.2 NCC1=NC=CC=N1 AC182213 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.2 NCC1=NC=CN=C1 AC511030 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 NNC1=CC=CN=C1 AC182314 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.2 NNC1=CC=NC=C1 AC511160 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.2 NNC1=NC=CC=C1 AC510793 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|1,0,0]=3 157 B8R1.2 OCC1=CC=CN=C1 AC500154 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.2 OCC1=CC=NC=C1 AC510857 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 OCC1=NC=CC=C1 AC511744 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 ONC1=CC=CC=C1 AC500156 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 SCC1=NC=CC=C1 AC100035 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.5 BrC1=CC=CC=C1I AC500034 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.5 C1=CC(=C(F)N=C1)N LN00124624 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.5 CC1=C(Br)C=CN=C1 AC181859 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.5 CC1=C(Br)N=CC=C1 AC510729 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.5 CC1=C(N)C=NC=C1 AC180724 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.5 CC1=CC=CC=C1I AC510875 [2,0,0,0,0,0|1,0,0]=3 168 B8R1.5 CC1=CC=CN=C1F AC511615 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.5 CC1=CN=CC=C1N AC181305 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.5 CC1=CN=CC=C1N LN00001726 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.5 CC1=CN=CC=C1O AC181809 [2,0,0,0,0,0|1,0,0]=3 172 B8R1.5 CC1=NC=CC=C1Br AC180855 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.5 CC1=NC=CC=C1Cl AC181796 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.5 CC1=NC=CC=C1O AC180647 [2,0,0,0,0,0|1,0,0]=3 175 B8R1.5 C[N+]1=C(Cl)C=CC=C1 AC130274 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.5 ClC1=CC=CC=C1Br AC190163 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.5 ClC1=CC=CC=C1I AC510876 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.5 FC1=CC=CC=C1I AC190203 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.5 IC1=CC=CC=C1I AC510877 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.5 NC1=C(Br)C=NC=C1 AC181385 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.5 NC1=C(Br)N=CC=C1 AC130122 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.5 NC1=C(Cl)C=CC=N1 AC181688 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.5 NC1=C(I)C=CC=C1 AC500016 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.5 NC1=C(I)C=NC=C1 AC181474 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.5 NC1=C(N)C=NC=C1 AC290039 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.5 NC1=C(O)C=CC=C1 AC190222 [2,0,0,0,0,0|0,0,0]=2 188 B8R1.5 NC1=CC=CC=C1F AC021683 [2,0,0,0,0,0|1,0,0]=3 189 B8R1.5 NC1=CC=CN=C1F AC511535 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.5 NC1=CC=CN=C1N AC180156 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.5 NC1=CC=CN=C1O AC500058 [2,0,0,0,0,0|1,0,0]=3 192 B8R1.5 NC1=CN=CC=C1Cl AC030140 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.5 NC1=NC=CC=C1F AC500260 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.5 NC1=NC=CC=C1I AC181297 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.5 NC1=NC=CC=C1O AC511555 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.5 OC1=C(Br)C=CC=C1 AC190217 [2,0,0,0,0,0|1,0,0]=3 197 B8R1.5 OC1=C(Br)C=CN=C1 AC511252 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.5 OC1=C(Br)C=NC=C1 AC181282 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.5 OC1=C(Cl)C=NC=C1 AC181811 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.5 OC1=C(F)N=CC=C1 AC510678 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.5 OC1=C(I)C=CC=C1 AC510212 [2,0,0,0,0,0|1,0,0]=3 202 B8R1.5 OC1=C(I)C=CN=C1 AC182369 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.5 OC1=C(I)N=CC=C1 AC180367 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.5 OC1=CC=CC=C1Cl AC190324 [2,0,0,0,0,0|1,0,0]=3 205 B8R1.5 OC1=CC=CN=C1Br AC130123 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.5 OC1=CC=CN=C1Cl AC190272 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.5 OC1=CC=CN=C1O AC511556 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.5 OC1=COC=CC1=O AC182492 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.5 OC1=NC=CC=C1Br AC181616 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.5 OC1=NC=CC=C1Cl AC181284 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.5 OC1=NC=CC=C1F AC181567 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.1 BrC1=CC=C(CC#N)C=C1 AC500226 [1,1,0,0,0,0|0,0,2]=4 213 B10R1.1 C1=C(C=CC(=C1)Br)CC=O LN00171423 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.1 C1=C(C=CC(=C1)Br)CCO LN00010340 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.1 C1=C(C=CC(=C1)Cl)CC=O LN01308797 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.1 C1=C(C=CC(=C1)F)CCO LN00009366 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.1 CC1=CC=C(C=C1)CC=O LN00179940 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.1 CCOC1=CC=C(I)C=C1 AC190197 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.1 CNCC1=CC=C(Br)C=C1 AC181858 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.1 CNCC1=CC=C(C)C=C1 AC181832 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC180340 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.1 FC1=CC=C(CCBr)C=C1 AC181747 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.1 IC1=CC=C(CC#N)C=C1 AC511918 [1,1,0,0,0,0|0,0,2]=4 224 B10R1.1 NC1=CC=C(CC#N)C=C1 AC180221 [1,1,0,0,0,0|0,0,2]=4 225 B10R1.1 NCCC1=CC=C(Br)C=C1 AC510947 [1,1,0,0,0,0|0,0,0]=2 226 B10R1.1 NCCC1=CC=C(F)C=C1 AC511531 [1,1,0,0,0,0|0,0,0]=2 227 B10R1.1 NCCC1=CC=C(N)C=C1 AC181788 [1,1,0,0,0,0|0,0,0]=2 228 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [1,1,0,0,0,0|0,0,0]=2 229 B10R1.1 NNCC1=CC=C(F)C=C1 AC070102 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.1 NOCC1=CC=C(Cl)C=C1 AC010098 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.1 OCCC1=CC=C(Br)C=C1 AC511093 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.1 OCCC1=CC=C(Cl)C=C1 AC180054 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.1 OCCC1=CC=C(F)C=C1 AC190322 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.10 C1=CC(=CC(=C1)Br)CC=O LN00181220 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.10 C1=CC(=CC(=C1)Cl)CC=O LN00179867 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.10 C1=CC(=CC(=C1)F)CC=O LN00241763 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.10 CC1=CC(=CC=C1)CC=O LN00181749 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.10 CCCC1=NC=CC(=C1)Br LN02162802 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.10 CCOC1=CC=CC(N)=C1 AC020532 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.10 CNCC1=CC=CC(Br)=C1 AC181856 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC511209 [1,1,0,0,0,0|0,0,0]=2 245 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [1,1,0,0,0,0|0,0,0]=2 246 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [1,1,0,0,0,0|0,0,1]=3 249 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [1,1,0,0,0,0|0,0,1]=3 253 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [1,1,0,0,0,0|0,0,0]=2 254 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.17 C1=CC=C(C=C1)C#CCO LN00160166 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [1,1,0,0,0,0|1,0,0]=3 259 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.17 NCCOC1=CC=CN=C1 AC182690 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.17 NCCOC1=NC=CC=C1 AC180673 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [1,1,0,0,0,0|0,0,0]=2 263 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [1,1,0,0,0,0|0,0,0]=2 264 B10R1.17 OCC#CC1=CC=CC=C1 AC500097 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.17 OCCCC1=CC=NC=C1 AC180489 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [1,1,0,0,0,0|0,0,2]=4 268 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [1,1,0,0,0,0|0,0,1]=3 269 B10R1.2 C1=CC(=C(C(=C1)O)O)C#N LN00166380 [1,1,0,0,0,0|0,0,2]=4 270 B10R1.2 CC1=C(Br)C(CO)=CC=C1 AC010441 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.2 CC1=C(Br)C=CC=C1CO AC200067 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.2 CC1=C(C(=CC=C1)C=O)O LN00226164 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.2 CC1=C(C)C(CBr)=CC=C1 AC511858 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.2 CC1=C(O)C(C=O)=CC=C1 AC511803 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.2 COC1=C(Br)C(F)=CC=C1 AC130062 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.2 COC1=C(C)C(C)=CC=C1 AC021515 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.2 COC1=C(Cl)C(N)=CC=C1 AC020504 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.2 COC1=C(F)C(F)=CC=C1 AC181264 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.2 COC1=C(N)C(C)=CC=C1 AC511717 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.2 COC1=CC=CC(Br)=C1C AC182617 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.2 COC1=CC=CC(N)=C1C AC020524 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.2 COC1=CC=CC(N)=C1C AC181971 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.2 COC1=CC=CC(N)=C1Cl AC020005 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.2 FC1=C(Cl)C(CBr)=CC=C1 AC511933 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.2 OC1=C(C=O)C=CC=C1Br AC500094 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.2 OC1=C(C=O)C=CC=C1F AC511686 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.2 OC1=C(Cl)C=CC=C1C=O AC510684 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.2 OC1=C(O)C(=CC=C1)C#N AC512108 [1,1,0,0,0,0|0,0,2]=4 289 B10R1.20 BrCC1=C(C=CC=C1)C#N AC500261 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.20 C1=CC=C(CO)C(=C1)CO LN01372805 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.20 CNC1=CC=CC=C1NC AC050961 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.20 COC1=C(C=O)C=CC=C1 AC500195 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.20 COC1=CC=CC=C1C#N AC510922 [1,1,0,0,0,0|0,0,2]=4 294 B10R1.20 COC1=CC=CC=C1NN AC180402 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.20 COC1=NC=CC=C1CCl LN00003497 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.20 NCC1=C(C=CC=C1)C#N AC182058 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.20 NCC1=CC=CC=C1CO AC182374 [1,1,0,0,0,0|0,0,0]=2 298 B10R1.20 NNC1=C(CO)C=CC=N1 AC010431 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.25 C1=CC(=CC(=C1C#N)O)O LN00220924 [1,1,0,0,0,0|0,0,2]=4 300 B10R1.25 CC1=CC(C)=C(CN)C=C1 AC160616 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.25 CC1=CC=C(C=O)C(O)=C1 AC511779 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.25 CC1=CC=C(NN)C(C)=C1 AC160121 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.25 CC1=CC=C(NN)C(Cl)=C1 AC181347 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.25 COC1=C(F)C=C(N)C=C1 AC500320 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.25 COC1=CC=C(Br)C=C1C AC511516 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.25 COC1=CC=C(Br)C=C1F AC180272 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.25 COC1=CC=C(Br)C=C1O AC510743 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.25 COC1=CC=C(F)C=C1Br AC130052 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.25 COC1=CC=C(F)C=C1O AC180763 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.25 COC1=CC=C(N)C=C1Br AC500244 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 AC510954 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.25 FC1=CC(F)=C(CBr)C=C1 AC180270 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.25 FC1=CC=C(CBr)C(Br)=C1 AC181737 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.25 NCC1=C(F)C=C(Br)C=C1 AC510434 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 AC181707 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.25 NNC1=CC=C(Br)C=C1F AC181545 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.25 OC1=CC(Br)=CC=C1C#N AC500289 [1,1,0,0,0,0|0,0,2]=4 318 B10R1.25 OC1=CC(Br)=CC=C1C=O AC130078 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.25 OC1=CC(Cl)=CC=C1C=O AC510701 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.25 OC1=CC(O)=C(C=O)C=C1 AC511006 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.25 OCC1=CC=C(Cl)C=C1F AC180759 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.25 OCC1=CC=C(F)C=C1Br AC181077 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.30 C1=C(C=C(CCl)C(=C1)Cl)I LN02224034 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.30 C1=C(C=C(CO)C(=C1)N)Br LN00152170 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.30 CC1=CC=C(Br)C=C1CO AC050486 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.30 CC1=CC=C(O)C(CCl)=N1 AC020394 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.30 CC1=CC=C(O)C(CO)=N1 AC021314 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.30 CCC1=CC(=CC=C1F)Br LN01279639 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.30 CCC1=CC(Br)=CC=C1N AC021532 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.30 CCC1=NC(C)=CC=C1O AC181021 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 AC511561 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.30 COC1=C(Cl)C=CC(N)=C1 AC511495 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.30 COC1=CC(=CC=C1Br)O LN00004696 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.30 COC1=CC(Br)=CC=C1N AC510860 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.30 COC1=CC(F)=CC=C1N AC040109 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.30 COC1=CC(N)=CC=C1Br AC500116 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.30 COC1=CC(N)=CC=C1C AC510672 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.30 COC1=CC(N)=CC=C1F AC511952 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.30 ClC1=CC=C(Br)C(CBr)=C1 AC511917 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.30 FC1=CC=C(Br)C(CBr)=C1 AC180448 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.30 NCC1=C(N)C=CC(Cl)=C1 AC200134 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.30 OC1=C(C=O)C=C(Br)C=C1 AC130239 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.30 OC1=C(C=O)C=C(Cl)C=C1 AC510907 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.30 OC1=C(C=O)C=C(F)C=C1 AC131640 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.30 OC1=CC=C(Br)C=C1C#N AC510757 [1,1,0,0,0,0|0,0,2]=4 346 B10R1.61 CC(=O)C1=CC=CC=C1Br AC511597 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.61 CC(=O)C1=CC=CC=C1Cl AC500259 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.61 CC(=O)C1=CC=CC=C1I LN00159959 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.61 CC(=O)C1=CC=CC=C1N AC180212 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.61 CC(=O)C1=CC=CC=C1O AC510427 [1,1,0,0,0,0|0,0,1]=3 351 B10R1.61 CC(C)C1=C(N)N=CC=C1 AC010483 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.61 CN(C)C1=CC=CC=C1N AC511923 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.61 C[C@H](C1=CC=CC=C1Br)N LN02156247 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.61 C[C@H](N)C1=CC=CC=C1F AC181536 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.61 C[C@H](O)C1=CC=CN=C1N AC020958 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.61 FC(F)C1=CC=CC=C1Br AC010373 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.61 NC(=O)C1=C(N)C=CC=C1 AC190185 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.61 NC(=O)C1=CC=CC=C1I AC190079 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.61 OB(O)C1=CC=CC=C1O AC181170 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.61 OC(=O)C1=CC=CC=C1O HY-B0167 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.61 OC1=CC=CC=C1C([O-])=O HY-B0167A [1,1,0,0,0,0|1,0,1]=4 364 B10R1.245 C1=CC(=C(C#N)C(=C1)O)F LN00118013 [1,1,0,0,0,0|0,0,2]=4 365 B10R1.245 C1=CC(=C(C=O)C(=C1)O)Cl LN00172491 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.245 C1=CC(=C(C=O)C(=C1)O)F LN00011257 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.245 C1=CC(=C(CO)C(=C1)I)F LN02137295 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.245 CC1=CC=CC(C)=C1CBr AC511906 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.245 CC1=CC=CC(C)=C1CN AC511863 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.245 FC1=CC=CC(Cl)=C1CBr AC510387 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.245 FC1=CC=CC(F)=C1CBr AC510972 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.245 NCC1=C(Cl)C=CC=C1Cl AC511864 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.245 NCC1=C(Cl)C=CC=C1F AC020010 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.245 OC1=C(C=O)C(Br)=CC=C1 AC130094 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.245 OC1=C(C=O)C(Cl)=CC=C1 AC511571 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.245 OC1=CC=CC(O)=C1C=O AC130064 [1,1,0,0,0,0|1,0,1]=4 377 B12R1.69 CC1=CC=C(CCCO)C(N)=C1 AC021315 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.121 COC1=CC=CC=C1OCCN AC180958 [0,2,0,0,0,0|0,0,0]=2 379 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl LN00119293 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.125 OC(=O)CCC1=CC=CC=C1Br AC500214 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.267 COCOCC1=CC=CC=C1Br AC020895 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.267 NCCCOC1=CC=CC=C1F AC030111 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.75 COC1=CC=CC=C1CC(O)=O AC190219 [0,2,0,0,0,0|1,0,1]=4 384 B12R1.77 COC1=C(C=CC=C1)C(=O)NN AC190068 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.268 COC1=CC=C(Cl)C=C1CC#N AC010171 [0,2,0,0,0,0|0,0,2]=4 386 B12R1.283 COCC1=CC=CC=C1B(O)O AC181628 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HY-B1081 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HY-B1081A [0,2,0,0,0,0|0,0,0]=2 389 B12R1.270 CCOC1=CC(C=O)=CC=C1O HY-B0940 [0,2,0,0,0,0|2,0,0]=4 390 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [1,0,0,1,0,0|1,0,0]=3 391 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [1,0,0,1,0,0|2,0,0]=4 392 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [1,0,0,1,0,0|0,0,0]=2 393 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [1,0,0,1,0,0|1,0,0]=3 394 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [1,0,0,1,0,0|1,0,0]=3 395 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [1,0,0,1,0,0|1,0,0]=3 396 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [1,0,0,1,0,0|2,0,0]=4 397 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [1,0,0,1,0,0|2,0,0]=4 398 B10R2.7 N1C=CC2=C1C=CC=C2 AC130112 [1,0,0,1,0,0|0,0,2]=4 399 B10R2.7 N1N=CC2=C1C=CC=C2 AC511172 [1,0,0,1,0,0|1,0,1]=4 400 B10R2.7 N1N=NC2=C1C=CC=C2 AC190223 [1,0,0,1,0,0|2,0,0]=4 401 B12R2.1081 BrC1=CC=CC2=C1CCNC2 AC182313 [0,1,0,1,0,0|1,0,0]=3 402 B12R2.1081 C1=CC=C2C(=C1)CCCC2N LN00224938 [0,1,0,1,0,0|2,0,0]=4 403 B12R2.1081 CC1=CC=CC2=C1CCNC2 LN00001082 [0,1,0,1,0,0|1,0,0]=3 404 B12R2.1081 CC1CNCC2=C1C=CC=C2 LN00001946 [0,1,0,1,0,0|1,0,0]=3 405 B12R2.1081 CC1CNCC2=CC=CC=C12 LN00245503 [0,1,0,1,0,0|1,0,0]=3 406 B12R2.1081 CC1NCCC2=C1C=CC=C2 AC181112 [0,1,0,1,0,0|1,0,0]=3 407 B12R2.1081 N=C1CCCC2=C1C=CC=C2 AC020396 [0,1,0,1,0,0|2,0,0]=4 408 B12R2.1081 NC1CCOC2=C1C=CC=C2 AC051203 [0,1,0,1,0,0|1,0,0]=3 409 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AC182356 [0,1,0,1,0,0|1,0,0]=3 410 B12R2.1081 O=C1C=CC=C2CNCCN12 AC010178 [0,1,0,1,0,0|1,0,1]=4 411 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC220096 [0,1,0,1,0,0|1,0,1]=4 412 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AC510788 [0,1,0,1,0,0|1,0,1]=4 413 B12R2.1081 OC1=CC=CC2=C1NCCC2 AC181471 [0,1,0,1,0,0|1,0,0]=3 414 B12R2.1081 OC1CCCC2=C1C=CC=C2 AC220110 [0,1,0,1,0,0|1,0,0]=3 415 B12R2.1081 OC1CCCC2=C1N=CC=C2 AC182113 [0,1,0,1,0,0|2,0,0]=4 416 B12R2.24 BrC1=CC2=C(CCNC2)C=C1 AC181560 [0,1,0,1,0,0|1,0,0]=3 417 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 AC050461 [0,1,0,1,0,0|1,0,0]=3 418 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 AC511061 [0,1,0,1,0,0|1,0,0]=3 419 B12R2.24 BrC1=CC=C2NCCOC2=C1 AC182789 [0,1,0,1,0,0|2,0,0]=4 420 B12R2.24 BrC1=CC=C2OCCOC2=C1 AC180437 [0,1,0,1,0,0|2,0,0]=4 421 B12R2.24 C1CC2=CC(=CC=C2NC1)F LN00182017 [0,1,0,1,0,0|2,0,0]=4 422 B12R2.24 CC1=CC=C2CCNCC2=C1 LN00002081 [0,1,0,1,0,0|1,0,0]=3 423 B12R2.24 CC1=CC=C2CCNCC2=C1 LN00002591 [0,1,0,1,0,0|1,0,0]=3 424 B12R2.24 ClC1=CC=C2CNCCC2=N1 AC182482 [0,1,0,1,0,0|2,0,0]=4 425 B12R2.24 NC1=CC2=C(CCCN2)C=C1 AC170059 [0,1,0,1,0,0|2,0,0]=4 426 B12R2.24 NC1=CC2=C(OCCO2)C=C1 AC130076 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.24 NC1CCC2=C(C1)C=CC=C2 AC511993 [0,1,0,1,0,0|1,0,0]=3 428 B12R2.24 NC1CSC2=CC=CC=C2C1 AC320002 [0,1,0,1,0,0|0,1,0]=3 429 B12R2.24 N[C@@H]1COC2=C(C1)C=CC=C2 AC182794 [0,1,0,1,0,0|0,0,0]=2 430 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 AC160458 [0,1,0,1,0,0|2,0,0]=4 431 B12R2.24 O=C1CCC2=CC=CC=C2N1 AC180323 [0,1,0,1,0,0|2,0,0]=4 432 B12R2.24 OC1=CC2=C(CCCN2)C=C1 AC182222 [0,1,0,1,0,0|2,0,0]=4 433 B12R2.24 OC1=CC2=C(NCCC2)C=C1 AC181118 [0,1,0,1,0,0|2,0,0]=4 434 B12R2.24 OC1=CC2=C(OCCO2)C=C1 AC130203 [0,1,0,1,0,0|2,0,0]=4 435 B12R2.24 OC1=CC=C2CCCCC2=C1 AC512165 [0,1,0,1,0,0|2,0,0]=4 436 B12R2.24 OC1CCC2=CC=CC=C2C1 AC220098 [0,1,0,1,0,0|2,0,0]=4 437 B12R2.32 C#CC1CC2=CC=CC=C2C1 AC020195 [0,1,0,1,0,0|2,0,0]=4 438 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 AC181642 [0,1,0,1,0,0|1,0,1]=4 439 B12R2.32 OCC1CC2=CC=CC=C2C1 AC050025 [0,1,0,1,0,0|2,0,0]=4 440 B12R2.196 BrC1=CC=CC2=C1CCC2=O AC181309 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.196 CC1=CC=CC2=C1CCC2=O AC220154 [0,1,0,1,0,0|2,0,0]=4 442 B12R2.196 OC1=CC=CC2=C1CCC2=O AC130287 [0,1,0,1,0,0|1,0,0]=3 443 B12R2.1 NCC1=CNC2=C1C=CC=C2 AC320010 [0,1,0,1,0,0|1,0,1]=4 444 B12R2.1 NCC1=NNC2=C1C=CC=C2 AC182032 [0,1,0,1,0,0|1,0,1]=4 445 B12R2.18 N[C@@H]1[C@H](O)CC2=C1C=CC=C2 AC180902 [0,1,0,1,0,0|2,0,0]=4 446 B12R2.315 C#CC1=C2CCCC2=CC=C1 AC020775 [0,1,0,1,0,0|2,0,0]=4 447 B12R2.315 COC1=C2C=CNC2=CC=C1 AC500089 [0,1,0,1,0,0|0,0,2]=4 448 B12R2.315 COC1=CC=CC2=C1C=NN2 AC182406 [0,1,0,1,0,0|1,0,1]=4 449 B12R2.315 OCC1=CC=CC2=C1C=NN2 AC182610 [0,1,0,1,0,0|1,0,1]=4 450 B12R2.606 CC1CC2=CC(N)=CC=C2O1 AC130077 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.606 NC1CC2=C(C1)C=C(Br)C=C2 AC181897 [0,1,0,1,0,0|1,0,0]=3 452 B12R2.95 FC1(F)OC2=CC=CC=C2O1 AC180964 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.221 OC1=CC=C(Cl)C2=C1CCC2 HY-B0999 [0,1,0,1,0,0|1,0,0]=3 454 B12R2.221 OC1=CC=C(F)C2=C1CCO2 AC010150 [0,1,0,1,0,0|1,0,0]=3 455 B12R2.203 NC1CCC2=C1C(Br)=CC=C2 AC051018 [0,1,0,1,0,0|2,0,0]=4 456 B12R2.203 NC1CCC2=C1C(O)=CC=C2 AC051050 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.8 C(CO)C1=CSC=C1 LN00188198 [1,0,0,0,1,0|2,0,0]=4 458 B8R1.8 NCCC1=CC=CO1 AC030027 [1,0,0,0,1,0|1,0,0]=3 459 B8R1.8 NCCC1=CN=CN1 HY-B1204 [1,0,0,0,1,0|2,0,0]=4 460 B8R1.8 NCCC1=CNC=N1 HY-A0129 [1,0,0,0,1,0|2,0,0]=4 461 B8R1.8 OCCC1=CSC=C1 AC180238 [1,0,0,0,1,0|2,0,0]=4 462 B8R1.11 CN1C=CC=C1CN LN00001692 [1,0,0,0,1,0|2,0,0]=4