0 B9R1.8 BrC#CC1=CC=CC=C1 AC511272 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 CNCC1=CC=CC=C1 AC500163 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 NCCC1=CC=CN=C1 AC500060 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 NNCC1=CC=CC=C1 AC500254 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.8 OCCC1=CC=NC=C1 AC511725 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 OCCC1=NC=CN=C1 AC051081 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 ONCC1=CC=CC=C1 AC180467 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 S=C=NC1=CC=NC=C1 AC020475 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.8 S=C=NC1=NC=CC=C1 AC020652 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.2 BrCC1=CC=CN=C1 AC190295 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 BrCC1=CC=NC=C1 AC190236 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.2 BrCC1=NC=CC=C1 AC190262 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.2 C#CC1=CC=CC=N1 AC180444 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.2 C#CC1=CC=CN=C1 AC500275 [1,0,0,0,0,0|1,0,2]=4 16 B8R1.2 C#CC1=CC=NC=C1 AC181543 [1,0,0,0,0,0|1,0,2]=4 17 B8R1.2 C#CC1=CC=NC=C1 AC511059 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.2 CNC1=CN=CC=N1 LN00001826 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 CNC1=NC=CC=C1 AC500327 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.2 COC1=CC=NC=C1 AC510883 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 CSC1=CN=CC=N1 LN00220945 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 ClCC1=CC=CC=N1 AC510931 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 ClCC1=CC=CN=C1 AC190048 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.2 ClCC1=NC=CC=N1 AC182476 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 NCC1=CC=CN=C1 AC512081 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.2 NCC1=CC=NC=C1 AC510741 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.2 NCC1=CC=NC=N1 AC511312 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 NCC1=NC=CC=N1 AC182213 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 NCC1=NC=CN=C1 AC511030 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 NNC1=CC=CN=C1 AC182314 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 NNC1=CC=NC=C1 AC511160 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 NNC1=NC=CC=C1 AC510793 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 O=CC1=CC=CN=C1 AC170118 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.2 O=CC1=CC=NC=C1 AC180162 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 O=CC1=NC=CC=C1 AC500026 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 OCC1=CC=CN=C1 AC500154 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 OCC1=CC=NC=C1 AC510857 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 OCC1=CN=CN=C1 AC170027 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 OCC1=NC=CC=C1 AC511744 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 OCC1=NC=CC=N1 AC182042 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 ONC1=CC=CC=C1 AC500156 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 SCC1=NC=CC=C1 AC100035 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.1 BrC1=CC=C(CC#N)C=C1 AC500226 [0,1,0,0,0,0|0,0,2]=3 45 B10R1.1 C1=C(C=CC(=C1)Br)CC=O LN00171423 [0,1,0,0,0,0|1,0,1]=3 46 B10R1.1 C1=C(C=CC(=C1)Br)CCO LN00010340 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.1 C1=C(C=CC(=C1)Cl)CC=O LN01308797 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.1 C1=C(C=CC(=C1)F)CCO LN00009366 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.1 CC1=CC=C(C=C1)CC=O LN00179940 [0,1,0,0,0,0|1,0,1]=3 50 B10R1.1 CCOC1=CC=C(I)C=C1 AC190197 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.1 CNCC1=CC=C(Br)C=C1 AC181858 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.1 CNCC1=CC=C(C)C=C1 AC181832 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC180340 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.1 FC1=CC=C(CCBr)C=C1 AC181747 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.1 FC1=CN=C(CC#N)C=C1 AC040055 [0,1,0,0,0,0|1,0,2]=4 56 B10R1.1 IC1=CC=C(CC#N)C=C1 AC511918 [0,1,0,0,0,0|0,0,2]=3 57 B10R1.1 NC1=CC=C(CC#N)C=C1 AC180221 [0,1,0,0,0,0|0,0,2]=3 58 B10R1.1 NCCC1=CC=C(Br)C=C1 AC510947 [0,1,0,0,0,0|0,0,0]=1 59 B10R1.1 NCCC1=CC=C(F)C=C1 AC511531 [0,1,0,0,0,0|0,0,0]=1 60 B10R1.1 NCCC1=CC=C(N)C=C1 AC181788 [0,1,0,0,0,0|0,0,0]=1 61 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [0,1,0,0,0,0|0,0,0]=1 62 B10R1.1 NNCC1=CC=C(F)C=C1 AC070102 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.1 NOCC1=CC=C(Cl)C=C1 AC010098 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.1 OCCC1=CC=C(Br)C=C1 AC511093 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.1 OCCC1=CC=C(Cl)C=C1 AC180054 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.1 OCCC1=CC=C(F)C=C1 AC190322 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.4 C1=CC(=C(CC#N)N=C1)Br LN01807755 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.4 C1=CC(=C(CC#N)N=C1)F LN02162536 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.4 C1=CC=C(C(=C1)CC=O)Br LN00181697 [0,1,0,0,0,0|1,0,1]=3 70 B10R1.4 C1=CC=C(C(=C1)CC=O)Cl LN00180075 [0,1,0,0,0,0|1,0,1]=3 71 B10R1.4 C1=CC=C(C(=C1)CC=O)F LN00181093 [0,1,0,0,0,0|1,0,1]=3 72 B10R1.4 C1=CC=C(C(=C1)CCO)Br LN00142608 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.4 C1=CC=C(C(=C1)CCO)Cl LN00192290 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.4 CC1=C(CON)C=CC=C1 AC010097 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.4 CC1=CC=CC=C1CC#N AC512146 [0,1,0,0,0,0|0,0,2]=3 76 B10R1.4 CC1=CC=CC=C1CC=O LN00181191 [0,1,0,0,0,0|1,0,1]=3 77 B10R1.4 CC1=CC=CC=C1N=CO LN00241919 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.4 CCOC1=CC=CC=C1N AC190317 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.4 NCCC1=CC=CC=C1N AC070086 [0,1,0,0,0,0|0,0,0]=1 80 B10R1.4 NCCC1=CC=CC=C1O AC050448 [0,1,0,0,0,0|0,0,0]=1 81 B10R1.4 O/N=C/C1=CC=CC=C1F AC051165 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.4 OCCC1=CC=CC=C1Br AC180682 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.10 C1=CC(=CC(=C1)Br)CC=O LN00181220 [0,1,0,0,0,0|1,0,1]=3 84 B10R1.10 C1=CC(=CC(=C1)Cl)CC=O LN00179867 [0,1,0,0,0,0|1,0,1]=3 85 B10R1.10 C1=CC(=CC(=C1)F)CC=O LN00241763 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.10 CC1=CC(=CC=C1)CC=O LN00181749 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.10 CCCC1=NC=CC(=C1)Br LN02162802 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.10 CCOC1=CC=CC(N)=C1 AC020532 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.10 CCOC1=NC=CC(N)=C1 AC180955 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.10 CNCC1=CC=CC(Br)=C1 AC181856 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC511209 [0,1,0,0,0,0|0,0,0]=1 95 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [0,1,0,0,0,0|0,0,0]=1 96 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [0,1,0,0,0,0|1,0,1]=3 98 B10R1.15 BrCC(=O)C1=CC=NC=C1 AC190075 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.15 BrCC(=O)C1=NC=CC=C1 AC190303 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.15 C1=CC(=NC=C1)C(=O)CBr LN00004265 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [0,1,0,0,0,0|0,0,1]=2 102 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.15 C1=CC=NC(=C1)C(=NN)O LN00336703 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [0,1,0,0,0,0|0,0,1]=2 107 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [0,1,0,0,0,0|0,0,0]=1 108 B10R1.15 NNC(=O)C1=CC=NC=C1 HY-B0329 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.17 C1=CC=C(C=C1)C#CCO LN00160166 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [0,1,0,0,0,0|1,0,0]=2 114 B10R1.17 COCOC1=CN=CC=C1 AC080496 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [0,1,0,0,0,0|0,0,0]=1 116 B10R1.17 NCCOC1=CC=CN=C1 AC182690 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.17 NCCOC1=NC=CC=C1 AC180673 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [0,1,0,0,0,0|0,0,0]=1 119 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [0,1,0,0,0,0|0,0,0]=1 120 B10R1.17 O=CC#CC1=CC=CC=C1 AC500018 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.17 OCC#CC1=CC=CC=C1 AC500097 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.17 OCCCC1=CC=NC=C1 AC180489 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.18 C1=C(C=CN=C1)CC(=O)O LN00224216 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [0,1,0,0,0,0|0,0,2]=3 126 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.18 ClC(=S)OC1=CC=CC=C1 AC500117 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [0,1,0,0,0,0|0,0,1]=2 130 B10R1.18 OC(=O)CC1=CC=CN=C1 AC290044 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.18 OC(=O)CC1=CC=NC=C1 AC180287 [0,1,0,0,0,0|2,0,1]=4 132 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [0,0,0,1,0,0|1,0,0]=2 133 B10R2.7 C1=CN=CC2=C1C=CN2 LN00004595 [0,0,0,1,0,0|1,0,2]=4 134 B10R2.7 C1=CNC2=C1C=NC=C2 LN00006232 [0,0,0,1,0,0|1,0,2]=4 135 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [0,0,0,1,0,0|2,0,0]=3 136 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [0,0,0,1,0,0|0,0,0]=1 137 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [0,0,0,1,0,0|1,0,0]=2 138 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [0,0,0,1,0,0|1,0,0]=2 139 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [0,0,0,1,0,0|1,0,0]=2 140 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [0,0,0,1,0,0|2,0,0]=3 141 B10R2.7 C1NCC2=CN=CC=C12 AC182745 [0,0,0,1,0,0|3,0,0]=4 142 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [0,0,0,1,0,0|2,0,0]=3 143 B10R2.7 N1C=CC2=C1C=CC=C2 AC130112 [0,0,0,1,0,0|0,0,2]=3 144 B10R2.7 N1C=CC2=C1C=CC=N2 AC160369 [0,0,0,1,0,0|1,0,2]=4 145 B10R2.7 N1C=CC2=C1C=NC=C2 AC181302 [0,0,0,1,0,0|1,0,2]=4 146 B10R2.7 N1C=CC2=CN=CC=C12 AC181145 [0,0,0,1,0,0|1,0,2]=4 147 B10R2.7 N1N=CC2=C1C=CC=C2 AC511172 [0,0,0,1,0,0|1,0,1]=3 148 B10R2.7 N1N=CC2=CC=CN=C12 AC050955 [0,0,0,1,0,0|2,0,1]=4 149 B10R2.7 N1N=CC2=NC=CC=C12 AC182223 [0,0,0,1,0,0|2,0,1]=4 150 B10R2.7 N1N=NC2=C1C=CC=C2 AC190223 [0,0,0,1,0,0|2,0,0]=3 151 B10R2.7 O1C=NC2=CC=CC=C12 AC511074 [0,0,0,1,0,0|1,0,2]=4 152 B10R2.7 S1C=CC2=C1C=CC=C2 AC130090 [0,0,0,1,0,0|1,0,2]=4 153 B10R2.7 S1N=C2C=CC=CC2=N1 AC511633 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.8 C(CO)C1=CSC=C1 LN00188198 [0,0,0,0,1,0|2,0,0]=3 155 B8R1.8 C1=CSC(=C1)CC=O LN01815545 [0,0,0,0,1,0|2,0,1]=4 156 B8R1.8 CNCC1=CSC=C1 AC030026 [0,0,0,0,1,0|3,0,0]=4 157 B8R1.8 N#CCC1=CC=CS1 AC510689 [0,0,0,0,1,0|1,0,2]=4 158 B8R1.8 NCCC1=CC=CO1 AC030027 [0,0,0,0,1,0|1,0,0]=2 159 B8R1.8 NCCC1=CN=CN1 HY-B1204 [0,0,0,0,1,0|2,0,0]=3 160 B8R1.8 NCCC1=CNC=N1 HY-A0129 [0,0,0,0,1,0|2,0,0]=3 161 B8R1.8 NCCC1=NC=NN1 AC320005 [0,0,0,0,1,0|3,0,0]=4 162 B8R1.8 OCCC1=CNN=C1 AC511838 [0,0,0,0,1,0|3,0,0]=4 163 B8R1.8 OCCC1=CSC=C1 AC180238 [0,0,0,0,1,0|2,0,0]=3 164 B7R1.3 BrC1=CC=NC=C1 AC180288 [2,0,0,0,0,0|2,0,0]=4 165 B7R1.3 BrC1=NC=CC=C1 AC130148 [2,0,0,0,0,0|2,0,0]=4 166 B7R1.3 CC1=CC=CN=N1 AC510670 [2,0,0,0,0,0|2,0,0]=4 167 B7R1.3 CC1=CC=NC=N1 AC021043 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.3 CC1=CN=CN=C1 AC050446 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.3 ClC1=CC=CN=C1 AC510157 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.3 FC1=CC=CN=C1 AC510740 [2,0,0,0,0,0|2,0,0]=4 171 B7R1.3 IC1=CC=CC=C1 AC130763 [2,0,0,0,0,0|1,0,0]=3 172 B7R1.3 IC1=CC=CC=N1 AC190289 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.3 IC1=CC=CN=C1 AC180371 [2,0,0,0,0,0|2,0,0]=4 174 B7R1.3 IC1=CC=NC=C1 AC181399 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.3 NC1=CC=NC=C1 HY-B0604 [2,0,0,0,0,0|1,0,0]=3 176 B7R1.3 NC1=CC=NN=C1 AC510688 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.3 NC1=CN=CN=C1 AC181240 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.3 NC1=NC=CC=N1 AC130528 [2,0,0,0,0,0|2,0,0]=4 179 B7R1.3 NC1=NC=CN=C1 AC180138 [2,0,0,0,0,0|2,0,0]=4 180 B7R1.3 NC1=NN=CC=C1 AC181239 [2,0,0,0,0,0|2,0,0]=4 181 B7R1.3 OC1=CC=NC=C1 AC510896 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.3 OC1=NC=CC=C1 AC500203 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.3 [O-][N+]1=CC=CC=C1 AC130307 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 BC1=CC=C(OC)C=C1 AC090165 [1,1,0,0,0,0|1,0,0]=3 185 B9R1.1 BrC1=CC=C(C=C)C=C1 AC500252 [1,1,0,0,0,0|0,0,2]=4 186 B9R1.1 BrC1=CC=C(C=C1)C#C AC310107 [1,1,0,0,0,0|0,0,2]=4 187 B9R1.1 BrC1=CC=C(C=C1)C#N AC500050 [1,1,0,0,0,0|0,0,2]=4 188 B9R1.1 BrC1=CC=C(C=O)C=C1 AC130129 [1,1,0,0,0,0|1,0,1]=4 189 B9R1.1 BrCC1=CC=C(Br)C=C1 AC511101 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.1 BrCC1=CC=C(I)C=C1 AC511536 [1,1,0,0,0,0|1,0,0]=3 191 B9R1.1 C#CC1=CC=C(C=C1)N LN00337947 [1,1,0,0,0,0|0,0,2]=4 192 B9R1.1 C1=C(C=CC(=C1)Cl)CN LN00007551 [1,1,0,0,0,0|0,0,0]=2 193 B9R1.1 C1=C(C=CC(=C1)I)CN LN00181807 [1,1,0,0,0,0|0,0,0]=2 194 B9R1.1 C1=C(C=CC(=C1)I)CO LN00140802 [1,1,0,0,0,0|1,0,0]=3 195 B9R1.1 CC1=CC=C(C=C1)C#C AC310130 [1,1,0,0,0,0|0,0,2]=4 196 B9R1.1 CC1=CC=C(C=O)C=C1 AC131766 [1,1,0,0,0,0|1,0,1]=4 197 B9R1.1 CC1=CC=C(CO)C=N1 AC100103 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.1 CC1=CC=C(NN)C=C1 AC510908 [1,1,0,0,0,0|1,0,0]=3 199 B9R1.1 CC1=NC=C(CBr)C=C1 AC190124 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.1 COC1=CC=C(Br)C=N1 AC130157 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.1 COC1=CC=C(I)C=C1 AC190049 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.1 COC1=CC=C(I)C=N1 AC070095 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.1 COC1=CC=C(N)N=C1 AC182126 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [1,1,0,0,0,0|1,0,0]=3 205 B9R1.1 COC1=CC=C(S)C=C1 AC130236 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.1 COC1=CN=C(Cl)C=C1 AC511217 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.1 COC1=CNC(=N)C=C1 LN00175109 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.1 COC1=NC=C(Br)C=C1 AC130150 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.1 COC1=NC=C(C)C=C1 AC182341 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.1 COC1=NC=C(Cl)C=C1 AC070111 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.1 COC1=NC=C(N)C=C1 AC180146 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.1 COC1=NC=C(O)C=C1 AC511210 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [1,1,0,0,0,0|1,0,0]=3 214 B9R1.1 CSC1=CN=C(N)C=C1 AC100050 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.1 ClC1=CC=C(C=C1)C#C AC310131 [1,1,0,0,0,0|0,0,2]=4 216 B9R1.1 ClC1=CC=C(C=C1)C#N AC510885 [1,1,0,0,0,0|0,0,2]=4 217 B9R1.1 ClCC1=CC=C(Br)C=C1 AC511747 [1,1,0,0,0,0|1,0,0]=3 218 B9R1.1 FC1=CC=C(C=C1)C#C AC310126 [1,1,0,0,0,0|0,0,2]=4 219 B9R1.1 FC1=CC=C(C=C1)C#N AC180025 [1,1,0,0,0,0|0,0,2]=4 220 B9R1.1 FC1=CC=C(C=O)C=C1 AC131767 [1,1,0,0,0,0|1,0,1]=4 221 B9R1.1 IC1=CC=C(C=C1)C#N AC500297 [1,1,0,0,0,0|0,0,2]=4 222 B9R1.1 IC1=CC=C(C=O)C=C1 AC180421 [1,1,0,0,0,0|1,0,1]=4 223 B9R1.1 NC1=CC=C(C=C1)C#C AC310136 [1,1,0,0,0,0|0,0,2]=4 224 B9R1.1 NC1=CC=C(C=C1)C#N AC190216 [1,1,0,0,0,0|0,0,2]=4 225 B9R1.1 NC1=CC=C(CO)C=C1 AC510886 [1,1,0,0,0,0|1,0,0]=3 226 B9R1.1 NCC1=CC=C(Br)C=C1 AC500062 [1,1,0,0,0,0|0,0,0]=2 227 B9R1.1 NCC1=CC=C(Cl)C=C1 AC510625 [1,1,0,0,0,0|0,0,0]=2 228 B9R1.1 NCC1=CC=C(O)C=C1 AC190229 [1,1,0,0,0,0|0,0,0]=2 229 B9R1.1 NCC1=CN=C(Cl)C=C1 AC511011 [1,1,0,0,0,0|1,0,0]=3 230 B9R1.1 NCC1=CNC(=O)C=C1 AC182250 [1,1,0,0,0,0|1,0,0]=3 231 B9R1.1 NCC1=NC=C(Br)C=C1 AC181948 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.1 NNC1=CC=C(Br)C=C1 AC131225 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.1 NNC1=NC=C(Br)C=C1 AC181048 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.1 OC1=CC=C(C=C1)C#N AC190204 [1,1,0,0,0,0|0,0,2]=4 235 B9R1.1 OC1=CC=C(C=O)C=C1 AC130039 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.1 OCC1=CC=C(Br)C=C1 AC190199 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.1 OCC1=CC=C(Cl)C=C1 AC190200 [1,1,0,0,0,0|1,0,0]=3 238 B9R1.1 OCC1=CC=C(Cl)N=C1 AC181178 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.1 OCC1=CC=C(I)C=C1 AC511569 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.1 OCC1=NC=C(Br)C=C1 AC181754 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.1 OCC1=NC=C(O)C=C1 AC512020 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.1 SC1=CC=C(C=C1)C#N AC050521 [1,1,0,0,0,0|0,0,2]=4 243 B9R1.2 BrC1=CC(=CC=C1)C#N AC190054 [1,1,0,0,0,0|0,0,2]=4 244 B9R1.2 BrC1=CC=CC(C=O)=C1 AC500300 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.2 BrCC1=CC(Br)=CC=C1 AC510964 [1,1,0,0,0,0|1,0,0]=3 246 B9R1.2 BrCC1=CC=CC(I)=C1 AC510794 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.2 C1=C(C=C(Cl)N=C1)CO LN00005270 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.2 C1=CC(=NC(=C1)Br)CO LN00009570 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.2 C1=CN=C(C=C1Br)CN LN00173736 [1,1,0,0,0,0|1,0,0]=3 250 B9R1.2 C1=CN=C(C=C1NN)O LN02038731 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.2 CC1=CC(CN)=CC=C1 AC500121 [1,1,0,0,0,0|0,0,0]=2 252 B9R1.2 CC1=CC=CC(=N1)OC LN00002432 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.2 CC1=CC=CC(CN)=N1 AC190009 [1,1,0,0,0,0|1,0,0]=3 254 B9R1.2 CC1=NC(=CC=C1)CO LN00224223 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.2 CCC1=CC(N)=NC=C1 AC310156 [1,1,0,0,0,0|1,0,0]=3 256 B9R1.2 CCC1=NC=CC(=C1)Br LN02122573 [1,1,0,0,0,0|1,0,0]=3 257 B9R1.2 CCC1=NC=NC(Cl)=C1 AC511297 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.2 CNC1=CC(Br)=CC=C1 AC020132 [1,1,0,0,0,0|1,0,0]=3 259 B9R1.2 COC1=CC(=O)NC=C1 AC182483 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.2 COC1=CC(Br)=CN=C1 AC510801 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.2 COC1=CC(Br)=NC=C1 AC181956 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.2 COC1=CC(C)=NC=C1 AC511978 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.2 COC1=CC(N)=NC=C1 AC182137 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.2 COC1=CC=CC(Br)=N1 AC180668 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.2 COC1=CC=CC(C)=N1 AC181782 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.2 COC1=CC=CC(N)=C1 AC130321 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.2 COC1=CC=CC(N)=N1 AC181869 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.2 COC1=CC=CC(O)=C1 AC130088 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.2 COC1=CC=NC(Cl)=C1 AC130676 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.2 COC1=CN=CC(N)=C1 AC182431 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.2 COC1=NC(Cl)=CC=C1 AC180147 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.2 COC1=NC(F)=CC=C1 AC070088 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.2 COC1=NC=CC(Br)=C1 AC182264 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.2 COC1=NC=CC(Cl)=C1 AC512031 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.2 COC1=NC=CC(N)=C1 AC182029 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.2 CSC1=CC(N)=CC=C1 AC500237 [1,1,0,0,0,0|1,0,0]=3 277 B9R1.2 ClC1=CC(=CC=C1)C#C AC190257 [1,1,0,0,0,0|0,0,2]=4 278 B9R1.2 ClC1=CC(=CC=C1)C#N AC511790 [1,1,0,0,0,0|0,0,2]=4 279 B9R1.2 ClC1=CC(C=O)=CC=C1 AC511323 [1,1,0,0,0,0|1,0,1]=4 280 B9R1.2 ClC1=CC(CBr)=CC=C1 AC180010 [1,1,0,0,0,0|1,0,0]=3 281 B9R1.2 ClCC1=CC(Cl)=NC=C1 AC182544 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.2 FC1=CC(=CC=C1)C#C AC510708 [1,1,0,0,0,0|0,0,2]=4 283 B9R1.2 FC1=CC(C=O)=CC=C1 AC511704 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.2 FC1=CC=CC(CBr)=C1 AC510779 [1,1,0,0,0,0|1,0,0]=3 285 B9R1.2 FC1=CC=CC(CCl)=C1 AC180011 [1,1,0,0,0,0|1,0,0]=3 286 B9R1.2 IC1=CC(C=O)=CC=C1 AC511778 [1,1,0,0,0,0|1,0,1]=4 287 B9R1.2 NC1=CC(=CC=C1)C#C AC500091 [1,1,0,0,0,0|0,0,2]=4 288 B9R1.2 NC1=CC=CC(CO)=N1 AC190007 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.2 NC1=NC=CC(CO)=C1 AC181723 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.2 NCC1=CC(Cl)=CC=C1 AC510764 [1,1,0,0,0,0|0,0,0]=2 291 B9R1.2 NCC1=CC=CC(Br)=C1 AC181165 [1,1,0,0,0,0|0,0,0]=2 292 B9R1.2 NCC1=CC=CC(I)=C1 AC180290 [1,1,0,0,0,0|0,0,0]=2 293 B9R1.2 NNC1=CC(Br)=CC=C1 AC511632 [1,1,0,0,0,0|1,0,0]=3 294 B9R1.2 NNC1=CC=CC(Br)=N1 AC182441 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.2 NNC1=CC=CC(F)=C1 AC500291 [1,1,0,0,0,0|1,0,0]=3 296 B9R1.2 OC1=CC(=CC=C1)C#N AC190275 [1,1,0,0,0,0|0,0,2]=4 297 B9R1.2 OC1=CC=CC(C=O)=C1 AC130074 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.2 OCC1=CC(Br)=CN=C1 AC500329 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.2 OCC1=CC(Br)=NC=C1 AC070124 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.2 OCC1=CC(Cl)=NC=C1 AC182075 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.2 OCC1=CC=CC(Br)=C1 AC511533 [1,1,0,0,0,0|1,0,0]=3 302 B9R1.2 OCC1=CC=CC(Br)=N1 AC181774 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182154 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182330 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.2 OCC1=NC=CC(Cl)=C1 AC182138 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [1,1,0,0,0,0|0,0,1]=3 307 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [1,1,0,0,0,0|1,0,1]=4 308 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [1,1,0,0,0,0|1,0,1]=4 309 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [1,1,0,0,0,0|1,0,0]=3 310 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.6 CN(C)C1=CC=NC=C1 AC131272 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [1,1,0,0,0,0|1,0,0]=3 315 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [1,1,0,0,0,0|0,0,0]=2 316 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [1,1,0,0,0,0|1,0,0]=3 317 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [1,1,0,0,0,0|0,0,1]=3 318 B9R1.6 NC(=N)C1=CC=CN=C1 AC180531 [1,1,0,0,0,0|1,0,1]=4 319 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [1,1,0,0,0,0|1,0,1]=4 320 B9R1.6 NC(=S)C1=NC=CC=C1 AC180667 [1,1,0,0,0,0|1,0,1]=4 321 B9R1.6 OB(O)C1=CC=CC=C1 AC130043 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.15 BrC1=C(C=O)C=CC=C1 AC190053 [1,1,0,0,0,0|1,0,1]=4 323 B9R1.15 BrC1=CC=CC=C1C#N AC500253 [1,1,0,0,0,0|0,0,2]=4 324 B9R1.15 BrCC1=C(Br)C=CC=C1 AC500309 [1,1,0,0,0,0|1,0,0]=3 325 B9R1.15 BrCC1=C(I)C=CC=C1 AC510755 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.15 C1=CC=C(C(=C1)CO)Br LN00009848 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.15 CC1=CC=CC=C1C=O AC511038 [1,1,0,0,0,0|1,0,1]=4 328 B9R1.15 CC1=CC=CC=C1CN AC190306 [1,1,0,0,0,0|0,0,0]=2 329 B9R1.15 CC1=NC=CC=C1CO LN00004952 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.15 CCC1=CC=CC=C1Br AC500247 [1,1,0,0,0,0|0,0,0]=2 331 B9R1.15 CCC1=NC=CC=C1O LN00004884 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.15 CNC1=C(O)C=CC=C1 AC512071 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.15 CNC1=CC=CC=C1N AC511708 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.15 CNC1=CC=CC=C1N LN01309502 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.15 COC1=C(Br)C=CC=C1 AC510848 [1,1,0,0,0,0|1,0,0]=3 336 B9R1.15 COC1=C(Br)C=NC=C1 AC210036 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.15 COC1=C(I)C=CC=C1 AC510814 [1,1,0,0,0,0|1,0,0]=3 338 B9R1.15 COC1=C(N)C=NC=C1 AC030137 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.15 COC1=CC=CC=C1O AC190186 [1,1,0,0,0,0|1,0,0]=3 340 B9R1.15 COC1=CC=CN=C1Br AC500269 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.15 COC1=CC=CN=C1Cl AC181653 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.15 COC1=CC=CN=C1N AC511905 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.15 COC1=CC=NC=C1Cl LN01322749 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.15 COC1=NC=CC=C1Br AC181597 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.15 COC1=NC=CC=C1Cl AC181590 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.15 COC1=NC=CC=C1I AC181562 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.15 ClC1=C(C=CC=C1)C#C AC180982 [1,1,0,0,0,0|0,0,2]=4 348 B9R1.15 ClC1=CC=CC=C1C=O AC190062 [1,1,0,0,0,0|1,0,1]=4 349 B9R1.15 ClC1=CC=CC=C1CBr AC180009 [1,1,0,0,0,0|1,0,0]=3 350 B9R1.15 FC1=C(C=CC=C1)C#N AC511685 [1,1,0,0,0,0|0,0,2]=4 351 B9R1.15 FC1=C(CBr)C=CC=C1 AC510775 [1,1,0,0,0,0|1,0,0]=3 352 B9R1.15 FC1=CC=CC=C1C=O AC510338 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.15 NC1=C(C=O)C=CC=C1 AC510813 [1,1,0,0,0,0|1,0,1]=4 354 B9R1.15 NC1=C(CO)C=CC=N1 AC181888 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.15 NC1=CC=CC=C1CO AC511831 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.15 NCC1=C(Br)C=CC=C1 AC500061 [1,1,0,0,0,0|0,0,0]=2 357 B9R1.15 NCC1=C(F)C=CC=C1 AC190246 [1,1,0,0,0,0|0,0,0]=2 358 B9R1.15 NCC1=CC=CC=C1O AC181137 [1,1,0,0,0,0|0,0,0]=2 359 B9R1.15 NCC1=NC=CN=C1Cl AC182522 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.15 NNC1=CC=CC=C1Cl AC180294 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.15 NNC1=NC=CC=C1Cl AC181379 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.15 OC1=C(C=CC=C1)C#N AC511758 [1,1,0,0,0,0|0,0,2]=4 363 B9R1.15 OC1=C(C=O)C=CC=C1 AC190207 [1,1,0,0,0,0|1,0,1]=4 364 B9R1.15 OCC1=C(Br)C=NC=C1 AC182666 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.15 OCC1=C(F)C=NC=C1 AC160575 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.15 OCC1=CC=CC=C1Br AC230033 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.15 OCC1=CC=CC=C1I AC511037 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [1,1,0,0,0,0|1,0,0]=3 369 B9R1.15 OCC1=CC=CN=C1Cl AC181378 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.15 OCC1=CC=CN=C1F AC181533 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.1 C(CC1=CC=C(C=C1)Br)CO LN00159728 [0,2,0,0,0,0|1,0,0]=3 372 B11R1.1 C(CC1=CN=C(C=C1)Br)CO LN01366240 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.1 OCCCC1=CC=C(Br)C=C1 AC020478 [0,2,0,0,0,0|1,0,0]=3 374 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 AC180006 [0,2,0,0,0,0|1,0,1]=4 375 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HY-B1098 [0,2,0,0,0,0|0,0,0]=2 376 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AC180404 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 AC511748 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.20 FC(F)OC1=CC=C(I)C=C1 AC190296 [0,2,0,0,0,0|2,0,0]=4 379 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 AC160443 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.20 NC1=CC=C(CC(O)=O)C=C1 AC500183 [0,2,0,0,0,0|1,0,1]=4 381 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AC130091 [0,2,0,0,0,0|1,0,1]=4 382 B11R1.20 OC(=O)CC1=CC=C(F)C=C1 AC180075 [0,2,0,0,0,0|1,0,1]=4 383 B11R1.20 OC(=O)CC1=CC=C(I)C=C1 AC180656 [0,2,0,0,0,0|1,0,1]=4 384 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AC130027 [0,2,0,0,0,0|1,0,1]=4 385 B11R1.20 OC(=O)CC1=CC=C(S)C=C1 AC130028 [0,2,0,0,0,0|1,0,1]=4 386 B11R1.22 C1=C(C=CC(=C1)Br)C(=O)CN LN00146620 [0,2,0,0,0,0|0,0,1]=3 387 B11R1.22 C1=C(C=CC(=C1)Cl)[C@@H](CO)N LN02185263 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.22 C1=C(C=CC(=C1)F)C(=O)NN LN00116928 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.22 C1=C(C=CC(=C1)F)[C@H](CO)N LN01359282 [0,2,0,0,0,0|1,0,0]=3 390 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr AC500028 [0,2,0,0,0,0|1,0,1]=4 391 B11R1.22 CC1=CC=C(C=C1)[C@@H](CO)N LN02185267 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br LN00225179 [0,2,0,0,0,0|1,0,1]=4 393 B11R1.22 FC1=CC=C(C=C1)C(=O)CBr AC510754 [0,2,0,0,0,0|1,0,1]=4 394 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 AC512178 [0,2,0,0,0,0|0,0,1]=3 395 B11R1.22 NCC(O)C1=CC=C(O)C=C1 HY-B0528A [0,2,0,0,0,0|0,0,0]=2 396 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl AC180477 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.81 FC1=CC(Br)=CC=C1CC#N AC182101 [0,2,0,0,0,0|0,0,2]=4 398 B11R1.83 CCC1=CN=C(CCO)C=C1 AC180730 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.83 CCOC1=CC=C(C=C1)C=O LN00173935 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.83 CNCC1=CC=C(C=C1)OC LN00008541 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.83 CNCC1=CC=C(OC)C=C1 AC100011 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.83 CNCC1=CC=C(OC)C=C1 AC100039 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.83 COC1=CC=C(C=C1)CC=O LN00180813 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.83 COC1=CC=C(CC#N)C=C1 AC180030 [0,2,0,0,0,0|0,0,2]=4 405 B11R1.83 COC1=CC=C(CCO)C=C1 AC190174 [0,2,0,0,0,0|1,0,0]=3 406 B11R1.83 COC1=CC=C(CNN)C=C1 AC511322 [0,2,0,0,0,0|1,0,0]=3 407 B11R1.83 COC1=CC=C(CON)C=C1 AC280067 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.192 CNCC1=CC=C(Cl)C(Cl)=C1 AC180302 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.192 NCCC1=CC(O)=C(O)C=C1 AC510887 [0,2,0,0,0,0|0,0,0]=2 410 B11R1.192 NCCC1=CC=C(O)C(O)=C1 HY-B0451A [0,2,0,0,0,0|0,0,0]=2 411 B11R1.192 OCCC1=CC=C(Cl)C(Cl)=C1 AC511676 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.13 FC1=CC=CC(CC#N)=C1F AC180558 [0,2,0,0,0,0|0,0,2]=4 413 B11R1.41 COC1=C(CCN)C=CC=C1 AC020413 [0,2,0,0,0,0|0,0,0]=2 414 B11R1.41 COC1=CC=CC=C1CC=O LN00180481 [0,2,0,0,0,0|1,0,1]=4 415 B11R1.41 COC1=CC=CC=C1CCO AC180052 [0,2,0,0,0,0|1,0,0]=3 416 B11R1.86 C1=CC=C(C(=C1)CC(=N)N)Cl LN00242261 [0,2,0,0,0,0|0,0,1]=3 417 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br LN00124676 [0,2,0,0,0,0|1,0,1]=4 418 B11R1.86 CC(=O)CC1=CC=CC=C1Br AC511603 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.86 CC(C)OC1=CC=CC=C1N AC180979 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.86 NC1=CC=CC=C1OC(F)F AC030138 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.86 OC(=O)CC1=C(I)C=CC=C1 AC510681 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.86 OC(=O)CC1=C(O)C=CC=C1 AC130768 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.182 C1=C(C=C(CCO)C(=C1)F)F LN00217841 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.182 CC1=CC=C(F)C=C1CC#N AC181263 [0,2,0,0,0,0|0,0,2]=4 425 B11R1.222 C1=CC=C(C(=C1)[C@@H](CO)N)Cl LN02026918 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 AC060049 [0,2,0,0,0,0|1,0,1]=4 427 B11R1.222 FC1=CC=CC=C1C(=O)CBr AC190234 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.222 NNC(=O)C1=CC=CC=C1O AC190220 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.23 C1=CC(=CC(=C1)Br)[C@@H](CO)N LN02151667 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr LN00145927 [0,2,0,0,0,0|1,0,1]=4 431 B11R1.23 ClC1=CC(=CC=C1)C(=O)CBr AC181101 [0,2,0,0,0,0|1,0,1]=4 432 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 AC021444 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 AC020507 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AC020501 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.24 BrC1=CC=CC(CCC=O)=C1 AC020270 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.24 CC1=CC(CCCO)=CC=C1 AC021440 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AC100073 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 AC100068 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 AC020586 [0,2,0,0,0,0|1,0,1]=4 440 B11R1.157 CC(C)OC1=CC(Br)=CC=C1 AC021391 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.157 FC(F)OC1=CC(Br)=CC=C1 AC511630 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.157 OC(=O)CC1=CC(O)=CC=C1 AC130034 [0,2,0,0,0,0|1,0,1]=4 443 B11R1.157 OC(=O)CC1=CC=CC(Br)=C1 AC511114 [0,2,0,0,0,0|1,0,1]=4 444 B11R1.157 OC(=O)CC1=CC=CC(Cl)=C1 AC500241 [0,2,0,0,0,0|1,0,1]=4 445 B11R1.157 OC(=O)CC1=CC=CC(F)=C1 AC511141 [0,2,0,0,0,0|1,0,1]=4 446 B11R1.157 OC(=O)CC1=CC=CC(I)=C1 AC511575 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.189 CNCC1=CC(OC)=CC=C1 AC100030 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.189 COC1=CC=CC(=C1)CC=O LN00179939 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.189 COC1=NC(CCN)=CC=C1 AC010351 [0,2,0,0,0,0|1,0,0]=3 450 B11R1.7 BrCS(=O)(=O)C1=CC=CC=C1 AC030196 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.7 CC(C)(C#C)C1=CC=CC=C1 AC020776 [0,2,0,0,0,0|1,0,1]=4 452 B11R1.7 CC(C)(CN)C1=CC=CC=C1 AC050458 [0,2,0,0,0,0|0,0,0]=2 453 B11R1.7 NCC(F)(F)C1=NC=CC=C1 AC020049 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.12 OCC(CO)C1=CC=CC=C1 AC511844 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.16 C1=CC=C(C=C1)[C@@H](CCO)N LN00219910 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.16 ClCOC(=O)C1=CC=CC=C1 AC511140 [0,2,0,0,0,0|1,0,1]=4 457 B11R1.16 NC(CCO)C1=CC=CC=C1 AC181123 [0,2,0,0,0,0|1,0,0]=3 458 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC181203 [0,2,0,0,0,0|1,0,0]=3 459 B11R1.16 O=C(CC#N)C1=CC=CC=C1 AC500022 [0,2,0,0,0,0|0,0,2]=4 460 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 AC180615 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.36 C1=CC=C(C=C1)[C@H](C(=N)O)N LN00176320 [0,2,0,0,0,0|0,0,2]=4 462 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 AC510790 [0,2,0,0,0,0|1,0,1]=4 463 B11R1.36 C[C@@H](C(O)=O)C1=CC=CC=C1 AC190251 [0,2,0,0,0,0|1,0,1]=4 464 B11R1.36 C[C@H](C(O)=O)C1=CC=CC=C1 AC180569 [0,2,0,0,0,0|1,0,1]=4 465 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 AC180081 [0,2,0,0,0,0|1,0,1]=4 466 B11R1.28 BrCCOCC1=CC=CC=C1 AC500208 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.28 C1=CC=C(C=C1)COCCBr LN00010106 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.28 C1=CC=C(C=C1)COCCN LN02222953 [0,2,0,0,0,0|0,0,0]=2 469 B11R1.28 CCO/C=N/C1=CC=CC=C1 AC130282 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.28 NCCOCC1=CC=CC=C1 AC181970 [0,2,0,0,0,0|0,0,0]=2 471 B11R1.28 NCCSSC1=NC=CC=C1 HY-101794 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.28 OCCOCC1=CC=CC=C1 AC511762 [0,2,0,0,0,0|1,0,0]=3 473 B11R1.40 BrCC(=O)NC1=CC=CC=C1 AC050571 [0,2,0,0,0,0|1,0,1]=4 474 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N LN00008763 [0,2,0,0,0,0|0,0,0]=2 475 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,2,0,0,0,0|1,0,1]=4 476 B11R1.40 NC(CO)CC1=CC=CC=C1 AC512047 [0,2,0,0,0,0|0,0,0]=2 477 B11R1.40 NCC(O)CC1=CC=CC=C1 AC050560 [0,2,0,0,0,0|0,0,0]=2 478 B11R1.40 NNC(=O)CC1=CC=NC=C1 AC190156 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC180085 [0,2,0,0,0,0|0,0,0]=2 480 B11R1.91 C1=CC=C(C=C1)CCC(=N)O LN01357216 [0,2,0,0,0,0|0,0,1]=3 481 B11R1.91 CC(O)COC1=CC=CC=C1 AC130345 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.91 NC(=O)OCC1=CC=CC=C1 AC511867 [0,2,0,0,0,0|0,0,1]=3 483 B11R1.91 OB(O)CCC1=CC=CC=C1 AC090136 [0,2,0,0,0,0|1,0,0]=3 484 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AC130139 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.509 ClS(=O)(=O)CC1=CC=CC=C1 AC180205 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.509 FS(=O)(=O)CC1=CC=CC=C1 HY-B0496 [0,2,0,0,0,0|2,0,0]=4 487 B11R2.34 C1CC1C2=CC=C(C=C2)O LN01357127 [0,1,0,1,0,0|1,0,0]=3 488 B11R2.34 FC1=NC=C(C=C1)C2CC2 AC030017 [0,1,0,1,0,0|2,0,0]=4 489 B11R2.34 OC1=NC=C(C=C1)C2CC2 AC030018 [0,1,0,1,0,0|2,0,0]=4 490 B11R2.36 BrC1=CC2=C(CCC2)N=C1 AC200086 [0,1,0,1,0,0|2,0,0]=4 491 B11R2.36 BrC1=CC2=C(CCN2)C=C1 AC511928 [0,1,0,1,0,0|0,0,0]=2 492 B11R2.36 BrC1=CC2=C(CNC2)C=C1 AC020080 [0,1,0,1,0,0|2,0,0]=4 493 B11R2.36 BrC1=CC2=C(NC=C2)C=C1 AC130152 [0,1,0,1,0,0|0,0,2]=4 494 B11R2.36 BrC1=CC=C2C=CNC2=C1 AC180973 [0,1,0,1,0,0|0,0,2]=4 495 B11R2.36 BrC1=CC=C2C=NNC2=C1 AC130097 [0,1,0,1,0,0|1,0,1]=4 496 B11R2.36 BrC1=CC=C2NC=NC2=C1 AC510787 [0,1,0,1,0,0|1,0,1]=4 497 B11R2.36 BrC1=CC=C2NCCC2=C1 AC020092 [0,1,0,1,0,0|0,0,0]=2 498 B11R2.36 BrC1=CC=C2OCCC2=C1 AC190299 [0,1,0,1,0,0|1,0,0]=3 499 B11R2.36 BrC1=CC=C2OCOC2=C1 AC500282 [0,1,0,1,0,0|2,0,0]=4 500 B11R2.36 BrC1=CN=C2NCCC2=C1 AC021193 [0,1,0,1,0,0|1,0,0]=3 501 B11R2.36 C1=C(C=C2C=CNC2=C1)Br LN00118143 [0,1,0,1,0,0|0,0,2]=4 502 B11R2.36 C1=C(C=C2C=CNC2=C1)N LN00159807 [0,1,0,1,0,0|0,0,2]=4 503 B11R2.36 C1=C(C=C2C=NNC2=C1)F LN00128526 [0,1,0,1,0,0|1,0,1]=4 504 B11R2.36 C1=C(C=C2CCNC2=C1)Br LN00009886 [0,1,0,1,0,0|0,0,0]=2 505 B11R2.36 C1=CC(=CC2=C1C=CN2)Cl LN00118462 [0,1,0,1,0,0|0,0,2]=4 506 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl LN00004808 [0,1,0,1,0,0|0,0,2]=4 507 B11R2.36 CC1=CC2=C(C=C1)NC=C2 LN00005764 [0,1,0,1,0,0|0,0,2]=4 508 B11R2.36 CC1=CC2=C(C=CN2)C=C1 AC500057 [0,1,0,1,0,0|0,0,2]=4 509 B11R2.36 CC1=CC2=C(NC=C2)C=C1 AC180109 [0,1,0,1,0,0|0,0,2]=4 510 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 AC180110 [0,1,0,1,0,0|0,0,2]=4 511 B11R2.36 ClC1=CC2=C(NC=C2)C=C1 AC500232 [0,1,0,1,0,0|0,0,2]=4 512 B11R2.36 FC1=CC2=C(C=CN2)C=C1 AC180542 [0,1,0,1,0,0|0,0,2]=4 513 B11R2.36 FC1=CC2=C(NC=C2)C=C1 AC160426 [0,1,0,1,0,0|0,0,2]=4 514 B11R2.36 IC1=CC2=C(C=NN2)C=C1 AC181815 [0,1,0,1,0,0|1,0,1]=4 515 B11R2.36 IC1=CC2=C(CCC2)C=C1 AC020567 [0,1,0,1,0,0|1,0,0]=3 516 B11R2.36 IC1=CC2=C(NN=C2)C=C1 AC040033 [0,1,0,1,0,0|1,0,1]=4 517 B11R2.36 IC1=CC=C2NC=CC2=C1 AC190253 [0,1,0,1,0,0|0,0,2]=4 518 B11R2.36 NC1=CC2=C(C=CN2)C=C1 AC160461 [0,1,0,1,0,0|0,0,2]=4 519 B11R2.36 NC1=CC2=C(NC=C2)C=C1 AC510809 [0,1,0,1,0,0|0,0,2]=4 520 B11R2.36 NC1=CC2=C(NN=C2)C=C1 AC500246 [0,1,0,1,0,0|1,0,1]=4 521 B11R2.36 NC1=CC2=C(OCO2)C=C1 AC130075 [0,1,0,1,0,0|2,0,0]=4 522 B11R2.36 NC1=CC=C2C=NNC2=C1 AC180113 [0,1,0,1,0,0|1,0,1]=4 523 B11R2.36 NC1=CC=C2OCCC2=C1 AC060028 [0,1,0,1,0,0|1,0,0]=3 524 B11R2.36 OC1=CC2=C(C=CN2)C=C1 AC180779 [0,1,0,1,0,0|0,0,2]=4 525 B11R2.36 OC1=CC2=C(C=NN2)C=C1 AC130087 [0,1,0,1,0,0|1,0,1]=4 526 B11R2.36 OC1=CC2=C(NC=C2)C=C1 AC130181 [0,1,0,1,0,0|0,0,2]=4 527 B11R2.36 OC1=CC2=C(NC=N2)C=C1 AC130273 [0,1,0,1,0,0|1,0,1]=4 528 B11R2.36 OC1=CC2=C(NN=C2)C=C1 AC130265 [0,1,0,1,0,0|1,0,1]=4 529 B11R2.36 OC1=CC=C2OCCC2=C1 AC080247 [0,1,0,1,0,0|1,0,0]=3 530 B11R2.10 BrC1=CC2=C(C1)C=CC=C2 AC182055 [0,1,0,1,0,0|1,0,1]=4 531 B11R2.10 BrC1=NC2=CC=CC=C2N1 AC060010 [0,1,0,1,0,0|1,0,1]=4 532 B11R2.10 C1=CC=C2CC(CC2=C1)N LN00008840 [0,1,0,1,0,0|0,0,0]=2 533 B11R2.10 CC1=CC2=C(N1)C=CC=C2 AC511008 [0,1,0,1,0,0|0,0,2]=4 534 B11R2.10 NC1=NC2=C(N1)C=CC=C2 AC190065 [0,1,0,1,0,0|1,0,1]=4 535 B11R2.10 NC1=NC2=CC=CC=C2O1 AC510780 [0,1,0,1,0,0|1,0,1]=4 536 B11R2.10 O=C1CC2=C(N1)C=CC=C2 AC021698 [0,1,0,1,0,0|0,0,1]=3 537 B11R2.10 O=C1CC2=C(O1)C=CC=C2 AC021054 [0,1,0,1,0,0|1,0,1]=4 538 B11R2.10 OC1CC2=C(C1)C=CC=C2 AC511852 [0,1,0,1,0,0|1,0,0]=3 539 B11R2.20 C1CC2=C(C=C1)C=CC=C2 AC220111 [0,1,0,1,0,0|1,0,0]=3 540 B11R2.20 C1CC2=C(CN1)C=CC=C2 AC180179 [0,1,0,1,0,0|0,0,0]=2 541 B11R2.20 C1CC2=C(CN1)C=CC=N2 AC050259 [0,1,0,1,0,0|1,0,0]=3 542 B11R2.20 C1CC2=C(CN1)C=NC=N2 AC182554 [0,1,0,1,0,0|2,0,0]=4 543 B11R2.20 C1CC2=C(CN1)N=CC=C2 AC050313 [0,1,0,1,0,0|1,0,0]=3 544 B11R2.20 C1CC2=C(CO1)C=CC=C2 AC180186 [0,1,0,1,0,0|1,0,0]=3 545 B11R2.20 C1CC2=CC=NC=C2CN1 AC050321 [0,1,0,1,0,0|1,0,0]=3 546 B11R2.20 C1CCC2=C(C1)C=CC=N2 AC180175 [0,1,0,1,0,0|2,0,0]=4 547 B11R2.20 C1CNC2=CC=CC=C2C1 AC180172 [0,1,0,1,0,0|0,0,0]=2 548 B11R2.20 C1COC2=C(N1)C=CC=C2 AC511129 [0,1,0,1,0,0|0,0,0]=2 549 B11R2.55 FC1=NC=CC=C1C2CC2 AC040078 [0,1,0,1,0,0|2,0,0]=4 550 B11R2.106 BrC1=C2C=NNC2=CC=C1 AC500240 [0,1,0,1,0,0|1,0,1]=4 551 B11R2.106 BrC1=C2N=CNC2=CC=C1 AC511076 [0,1,0,1,0,0|1,0,1]=4 552 B11R2.106 BrC1=C2OCCC2=CC=C1 AC182423 [0,1,0,1,0,0|1,0,0]=3 553 B11R2.106 BrC1=CC=CC2=C1C=CN2 AC130104 [0,1,0,1,0,0|0,0,2]=4 554 B11R2.106 BrC1=CC=CC2=C1NC=C2 AC181113 [0,1,0,1,0,0|0,0,2]=4 555 B11R2.106 C1=CC(=C2C(=C1)N=CN2)F LN02177273 [0,1,0,1,0,0|1,0,1]=4 556 B11R2.106 C1=CC(=C2C=NNC2=C1)I LN01327404 [0,1,0,1,0,0|1,0,1]=4 557 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 LN00009341 [0,1,0,1,0,0|0,0,2]=4 558 B11R2.106 C1CC2=C(C1)C(=CC=C2)Br LN02012267 [0,1,0,1,0,0|1,0,0]=3 559 B11R2.106 CC1=C2C=CNC2=CC=C1 AC180105 [0,1,0,1,0,0|0,0,2]=4 560 B11R2.106 CC1=C2CNCC2=CC=C1 LN02028017 [0,1,0,1,0,0|2,0,0]=4 561 B11R2.106 CC1=CC=CC2=C1C=CN2 LN00002359 [0,1,0,1,0,0|0,0,2]=4 562 B11R2.106 CC1=CC=CC2=C1C=NN2 AC181931 [0,1,0,1,0,0|1,0,1]=4 563 B11R2.106 CC1=CC=CC2=C1N=CN2 LN00005407 [0,1,0,1,0,0|1,0,1]=4 564 B11R2.106 CC1=CC=CC2=C1NC=C2 AC511001 [0,1,0,1,0,0|0,0,2]=4 565 B11R2.106 ClC1=CC=CC2=C1C=CN2 AC180104 [0,1,0,1,0,0|0,0,2]=4 566 B11R2.106 ClC1=CC=CC2=C1C=NN2 AC020963 [0,1,0,1,0,0|1,0,1]=4 567 B11R2.106 ClC1=CC=CC2=C1CNC2 AC051023 [0,1,0,1,0,0|2,0,0]=4 568 B11R2.106 FC1=CC=CC2=C1C=CN2 AC160420 [0,1,0,1,0,0|0,0,2]=4 569 B11R2.106 FC1=CC=CC2=C1C=NN2 AC182118 [0,1,0,1,0,0|1,0,1]=4 570 B11R2.106 NC1=C2CCOC2=CC=C1 AC512103 [0,1,0,1,0,0|1,0,0]=3 571 B11R2.106 NC1=C2OCCC2=CC=C1 AC060038 [0,1,0,1,0,0|1,0,0]=3 572 B11R2.106 NC1=CC=CC2=C1C=CN2 AC181189 [0,1,0,1,0,0|0,0,2]=4 573 B11R2.106 OC1=CC=CC2=C1C=CN2 AC160354 [0,1,0,1,0,0|0,0,2]=4 574 B11R2.106 OC1=CC=CC2=C1C=NN2 AC182074 [0,1,0,1,0,0|1,0,1]=4 575 B11R2.106 OC1=CC=CC2=C1NN=C2 AC181032 [0,1,0,1,0,0|1,0,1]=4 576 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 AC050709 [0,1,0,1,0,0|2,0,0]=4 577 B11R2.1 BrC1=NNC2=C1C=CC=C2 AC510758 [0,1,0,1,0,0|1,0,1]=4 578 B11R2.1 CC1=CNC2=C1C=CC=C2 AC500066 [0,1,0,1,0,0|0,0,2]=4 579 B11R2.1 CN1C=CC2=C1C=CC=C2 AC510426 [0,1,0,1,0,0|0,0,2]=4 580 B11R2.1 IC1=NNC2=C1C=CC=C2 AC181868 [0,1,0,1,0,0|1,0,1]=4 581 B11R2.1 NC1=NNC2=C1C=CC=C2 AC180839 [0,1,0,1,0,0|1,0,1]=4 582 B11R2.1 NC1CCC2=CC=CC=C12 AC190231 [0,1,0,1,0,0|0,0,0]=2 583 B11R2.1 NC1COC2=NC=CC=C12 AC512024 [0,1,0,1,0,0|1,0,0]=3 584 B11R2.1 NN1C=CC2=C1C=CC=C2 AC180777 [0,1,0,1,0,0|0,0,2]=4 585 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [0,1,0,1,0,0|1,0,0]=3 586 B11R2.1 O=C1CCC2=CC=CN=C12 AC182161 [0,1,0,1,0,0|2,0,0]=4 587 B11R2.1 O=C1CCC2=NC=CC=C12 AC511871 [0,1,0,1,0,0|2,0,0]=4 588 B11R2.1 O=C1COC2=C1C=CC=C2 AC130193 [0,1,0,1,0,0|1,0,1]=4 589 B11R2.1 O=C1CSC2=CC=CC=C12 AC182209 [0,1,0,1,0,0|1,0,1]=4 590 B11R2.1 O=C1NCC2=CC=CC=C12 AC511115 [0,1,0,1,0,0|1,0,1]=4 591 B11R2.1 OC1CCC2=CC=CN=C12 AC182162 [0,1,0,1,0,0|2,0,0]=4 592 B11R2.1 ON1N=NC2=C1C=CC=C2 AC131609 [0,1,0,1,0,0|2,0,0]=4 593 B11R2.4 C1=CC=C(C=C1)[C@@H]2C[C@H]2N LN00342917 [0,1,0,1,0,0|0,0,0]=2 594 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [0,1,0,1,0,0|0,0,0]=2 595 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC020065 [0,1,0,1,0,0|1,0,0]=3 596 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC050542 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.1 C1=CC=C([CH-]1)CO LN02135120 [1,0,0,0,1,0|1,0,1]=4 598 B7R1.1 C1=CON=C1CN LN00111972 [1,0,0,0,1,0|2,0,0]=4 599 B7R1.1 COC1=CC=CS1 AC130135 [1,0,0,0,1,0|2,0,0]=4 600 B7R1.1 COC1=CSC=C1 AC511563 [1,0,0,0,1,0|2,0,0]=4 601 B7R1.1 NCC1=CC=CN1 AC182788 [1,0,0,0,1,0|1,0,0]=3 602 B7R1.1 NCC1=CC=CS1 AC510712 [1,0,0,0,1,0|1,0,0]=3 603 B7R1.1 NCC1=CNN=C1 AC050524 [1,0,0,0,1,0|2,0,0]=4 604 B7R1.1 NCC1=CSC=C1 AC181241 [1,0,0,0,1,0|1,0,0]=3 605 B7R1.1 OCC1=COC=C1 AC510770 [1,0,0,0,1,0|2,0,0]=4 606 B7R1.1 OCC1=CSC=C1 AC180309 [1,0,0,0,1,0|2,0,0]=4