0 B10R1.18 C1=C(C=CN=C1)CC(=O)O LN00224216 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 ClC(=S)OC1=CC=CC=C1 AC500117 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.18 OC(=O)CC1=CC=CN=C1 AC290044 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 OC(=O)CC1=CC=NC=C1 AC180287 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.8 BrC#CC1=CC=CC=C1 AC511272 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 CNCC1=CC=CC=C1 AC500163 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 NCCC1=CC=CN=C1 AC500060 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 NNCC1=CC=CC=C1 AC500254 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 OCCC1=CC=NC=C1 AC511725 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 OCCC1=NC=CN=C1 AC051081 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 ONCC1=CC=CC=C1 AC180467 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.20 CC(=NC1=CC=C(C=C1)I)O LN01092551 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 AC180006 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 AC190309 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HY-66005 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 AC021568 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 AC020469 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HY-B1098 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AC180404 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 AC511748 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.20 FC(F)OC1=CC=C(I)C=C1 AC190296 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 AC160443 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.20 NC1=CC=C(CC(O)=O)C=C1 AC500183 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AC130091 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.20 OC(=O)CC1=CC=C(F)C=C1 AC180075 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.20 OC(=O)CC1=CC=C(I)C=C1 AC180656 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AC130027 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.20 OC(=O)CC1=CC=C(S)C=C1 AC130028 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.36 C1=CC=C(C=C1)[C@H](C(=N)O)N LN00176320 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 AC510790 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.36 C[C@@H](C(O)=O)C1=CC=CC=C1 AC190251 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.36 C[C@H](C(O)=O)C1=CC=CC=C1 AC180569 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 AC180081 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.40 BrCC(=O)NC1=CC=CC=C1 AC050571 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N LN00008763 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.40 COC(=O)CC1=CN=CC=C1 LN00214372 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.40 NC(CO)CC1=CC=CC=C1 AC512047 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.40 NCC(O)CC1=CC=CC=C1 AC050560 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.40 NNC(=O)CC1=CC=NC=C1 AC190156 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC180085 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.86 C1=CC=C(C(=C1)CC(=N)N)Cl LN00242261 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br LN00124676 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.86 CC(=NC1=CC=CC=C1N)O LN00141995 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.86 CC(=O)CC1=CC=CC=C1Br AC511603 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.86 CC(C)OC1=CC=CC=C1N AC180979 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.86 NC1=CC=CC=C1OC(F)F AC030138 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.86 OC(=O)CC1=C(I)C=CC=C1 AC510681 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.86 OC(=O)CC1=C(O)C=CC=C1 AC130768 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 AC020586 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.157 CC(=O)OC1=CC=CC(C)=C1 HY-B0948 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 HY-B0894 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.157 CC(C)OC1=CC(Br)=CC=C1 AC021391 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.157 FC(F)OC1=CC(Br)=CC=C1 AC511630 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.157 OC(=O)CC1=CC(O)=CC=C1 AC130034 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.157 OC(=O)CC1=CC=CC(Br)=C1 AC511114 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.157 OC(=O)CC1=CC=CC(Cl)=C1 AC500241 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.157 OC(=O)CC1=CC=CC(F)=C1 AC511141 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.157 OC(=O)CC1=CC=CC(I)=C1 AC511575 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AC130139 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.509 ClS(=O)(=O)CC1=CC=CC=C1 AC180205 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.509 FS(=O)(=O)CC1=CC=CC=C1 HY-B0496 [0,1,0,0,0,0|3,0,0]=4 68 B11R2.4 C1=CC=C(C=C1)[C@@H]2C[C@H]2N LN00342917 [0,0,0,1,0,0|0,0,0]=1 69 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [0,0,0,1,0,0|0,0,0]=1 70 B11R2.10 BrC1=CC2=C(C1)C=CC=C2 AC182055 [0,0,0,1,0,0|1,0,2]=4 71 B11R2.10 BrC1=NC2=CC=CC=C2N1 AC060010 [0,0,0,1,0,0|2,0,1]=4 72 B11R2.10 C1=CC=C2CC(CC2=C1)N LN00008840 [0,0,0,1,0,0|0,0,0]=1 73 B11R2.10 CC1=CC2=C(N1)C=CC=C2 AC511008 [0,0,0,1,0,0|0,0,2]=3 74 B11R2.10 CC1=CC2=C(N1)N=CC=C2 AC210034 [0,0,0,1,0,0|1,0,2]=4 75 B11R2.10 NC1=NC2=C(N1)C=CC=C2 AC190065 [0,0,0,1,0,0|2,0,1]=4 76 B11R2.10 NC1=NC2=CC=CC=C2O1 AC510780 [0,0,0,1,0,0|2,0,1]=4 77 B11R2.10 O=C1CC2=C(N1)C=CC=C2 AC021698 [0,0,0,1,0,0|1,0,1]=3 78 B11R2.10 O=C1CC2=C(O1)C=CC=C2 AC021054 [0,0,0,1,0,0|2,0,1]=4 79 B11R2.10 OC1CC2=C(C1)C=CC=C2 AC511852 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [0,0,0,0,1,0|1,0,1]=3 81 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [0,0,0,0,1,0|2,0,1]=4 82 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [0,0,0,0,1,0|2,0,1]=4 83 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [0,0,0,0,1,0|1,0,0]=2 84 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [0,0,0,0,1,0|1,0,0]=2 85 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [0,0,0,0,1,0|1,0,0]=2 86 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [0,0,0,0,1,0|2,0,0]=3 87 B9R1.6 CN(C)C1=CC=NC=C1 AC131272 [0,0,0,0,1,0|3,0,0]=4 88 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [0,0,0,0,1,0|1,0,0]=2 89 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [0,0,0,0,1,0|1,0,0]=2 90 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [0,0,0,0,1,0|1,0,0]=2 91 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [0,0,0,0,1,0|1,0,1]=3 92 B9R1.6 NC(=N)C1=CC=CN=C1 AC180531 [0,0,0,0,1,0|2,0,1]=4 93 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,0,0,0,1,0|2,0,1]=4 94 B9R1.6 NC(=S)C1=NC=CC=C1 AC180667 [0,0,0,0,1,0|2,0,1]=4 95 B9R1.6 OB(O)C1=CC=CC=C1 AC130043 [0,0,0,0,1,0|3,0,0]=4 96 B9R1.13 CC(=O)CC1=CC=CS1 LN00166067 [0,0,0,0,1,0|2,0,1]=4 97 B9R1.13 CC(N)CN1C=NC=N1 AC190154 [0,0,0,0,1,0|3,0,0]=4 98 B11R1.91 C1=CC=C(C=C1)CCC(=N)O LN01357216 [0,0,0,0,0,1|1,0,2]=4 99 B11R1.91 CC(=O)C#CC1=CC=CC=C1 AC270040 [0,0,0,0,0,1|1,0,2]=4 100 B11R1.91 CC(O)COC1=CC=CC=C1 AC130345 [0,0,0,0,0,1|1,0,0]=2 101 B11R1.91 NC(=O)OCC1=CC=CC=C1 AC511867 [0,0,0,0,0,1|1,0,1]=3 102 B11R1.91 OB(O)CCC1=CC=CC=C1 AC090136 [0,0,0,0,0,1|3,0,0]=4 103 B8R1.2 BrCC1=CC=CN=C1 AC190295 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.2 BrCC1=CC=NC=C1 AC190236 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.2 BrCC1=NC=CC=C1 AC190262 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.2 CNC1=NC=CC=C1 AC500327 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.2 COC1=CC=NC=C1 AC510883 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.2 ClCC1=CC=CC=N1 AC510931 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.2 ClCC1=CC=CN=C1 AC190048 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.2 NCC1=CC=CN=C1 AC512081 [2,0,0,0,0,0|1,0,0]=3 111 B8R1.2 NCC1=CC=NC=C1 AC510741 [2,0,0,0,0,0|1,0,0]=3 112 B8R1.2 NCC1=CC=NC=N1 AC511312 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 NCC1=NC=CC=N1 AC182213 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.2 NCC1=NC=CN=C1 AC511030 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.2 NNC1=CC=CN=C1 AC182314 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.2 NNC1=CC=NC=C1 AC511160 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.2 NNC1=NC=CC=C1 AC510793 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|1,0,0]=3 119 B8R1.2 OCC1=CC=CN=C1 AC500154 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.2 OCC1=CC=NC=C1 AC510857 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.2 OCC1=NC=CC=C1 AC511744 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.2 ONC1=CC=CC=C1 AC500156 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.2 SCC1=NC=CC=C1 AC100035 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.1 BrC1=CC=C(CC#N)C=C1 AC500226 [1,1,0,0,0,0|0,0,2]=4 125 B10R1.1 C1=C(C=CC(=C1)Br)CC=O LN00171423 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.1 C1=C(C=CC(=C1)Br)CCO LN00010340 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.1 C1=C(C=CC(=C1)Cl)CC=O LN01308797 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.1 C1=C(C=CC(=C1)F)CCO LN00009366 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.1 CC1=CC=C(C=C1)CC=O LN00179940 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.1 CCOC1=CC=C(I)C=C1 AC190197 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.1 CNCC1=CC=C(Br)C=C1 AC181858 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.1 CNCC1=CC=C(C)C=C1 AC181832 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC180340 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.1 FC1=CC=C(CCBr)C=C1 AC181747 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.1 IC1=CC=C(CC#N)C=C1 AC511918 [1,1,0,0,0,0|0,0,2]=4 136 B10R1.1 NC1=CC=C(CC#N)C=C1 AC180221 [1,1,0,0,0,0|0,0,2]=4 137 B10R1.1 NCCC1=CC=C(Br)C=C1 AC510947 [1,1,0,0,0,0|0,0,0]=2 138 B10R1.1 NCCC1=CC=C(F)C=C1 AC511531 [1,1,0,0,0,0|0,0,0]=2 139 B10R1.1 NCCC1=CC=C(N)C=C1 AC181788 [1,1,0,0,0,0|0,0,0]=2 140 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [1,1,0,0,0,0|0,0,0]=2 141 B10R1.1 NNCC1=CC=C(F)C=C1 AC070102 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.1 NOCC1=CC=C(Cl)C=C1 AC010098 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.1 OCCC1=CC=C(Br)C=C1 AC511093 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.1 OCCC1=CC=C(Cl)C=C1 AC180054 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.1 OCCC1=CC=C(F)C=C1 AC190322 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.4 C1=CC=C(C(=C1)CC=O)Br LN00181697 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.4 C1=CC=C(C(=C1)CC=O)Cl LN00180075 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.4 C1=CC=C(C(=C1)CC=O)F LN00181093 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.4 C1=CC=C(C(=C1)CCO)Br LN00142608 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.4 C1=CC=C(C(=C1)CCO)Cl LN00192290 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.4 CC1=C(CON)C=CC=C1 AC010097 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.4 CC1=CC=CC=C1CC#N AC512146 [1,1,0,0,0,0|0,0,2]=4 153 B10R1.4 CC1=CC=CC=C1CC=O LN00181191 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.4 CCOC1=CC=CC=C1N AC190317 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.4 NCCC1=CC=CC=C1N AC070086 [1,1,0,0,0,0|0,0,0]=2 156 B10R1.4 NCCC1=CC=CC=C1O AC050448 [1,1,0,0,0,0|0,0,0]=2 157 B10R1.4 OCCC1=CC=CC=C1Br AC180682 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.10 C1=CC(=CC(=C1)Br)CC=O LN00181220 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.10 C1=CC(=CC(=C1)Cl)CC=O LN00179867 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.10 C1=CC(=CC(=C1)F)CC=O LN00241763 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.10 CC1=CC(=CC=C1)CC=O LN00181749 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [1,1,0,0,0,0|0,0,0]=2 164 B10R1.10 CCCC1=NC=CC(=C1)Br LN02162802 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.10 CCOC1=CC=CC(N)=C1 AC020532 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.10 CCOC1=NC=CC(N)=C1 AC180955 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.10 CNCC1=CC=CC(Br)=C1 AC181856 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC511209 [1,1,0,0,0,0|0,0,0]=2 170 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [1,1,0,0,0,0|0,0,0]=2 171 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [1,1,0,0,0,0|0,0,1]=3 174 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [1,1,0,0,0,0|0,0,0]=2 177 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [1,1,0,0,0,0|0,0,1]=3 178 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [1,1,0,0,0,0|0,0,0]=2 179 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.17 C1=CC=C(C=C1)C#CCO LN00160166 [1,1,0,0,0,0|0,0,2]=4 183 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [1,1,0,0,0,0|1,0,0]=3 184 B10R1.17 COCOC1=CN=CC=C1 AC080496 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [1,1,0,0,0,0|0,0,0]=2 186 B10R1.17 NCCOC1=CC=CN=C1 AC182690 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.17 NCCOC1=NC=CC=C1 AC180673 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [1,1,0,0,0,0|0,0,0]=2 189 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [1,1,0,0,0,0|0,0,0]=2 190 B10R1.17 OCC#CC1=CC=CC=C1 AC500097 [1,1,0,0,0,0|0,0,2]=4 191 B10R1.17 OCCCC1=CC=NC=C1 AC180489 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [0,1,0,0,1,0|1,0,1]=4 194 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [0,1,0,0,1,0|1,0,1]=4 195 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [0,1,0,0,1,0|1,0,1]=4 196 B10R1.13 CC(C)C1=NC=C(C=C1)N LN00179988 [0,1,0,0,1,0|2,0,0]=4 197 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [0,1,0,0,1,0|2,0,0]=4 198 B10R1.13 CN(C)C1=CC=C(C=C1)O LN00220688 [0,1,0,0,1,0|2,0,0]=4 199 B10R1.13 C[C@@H](C1=NC=C(C=C1)Br)N LN02000998 [0,1,0,0,1,0|1,0,0]=3 200 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 AC020028 [0,1,0,0,1,0|0,0,0]=2 201 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [0,1,0,0,1,0|0,0,0]=2 202 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [0,1,0,0,1,0|0,0,0]=2 203 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [0,1,0,0,1,0|0,0,0]=2 204 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [0,1,0,0,1,0|0,0,0]=2 205 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [0,1,0,0,1,0|0,0,0]=2 206 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [0,1,0,0,1,0|0,0,0]=2 207 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 AC020930 [0,1,0,0,1,0|2,0,0]=4 208 B10R1.13 NC(=N)C1=CC=C(Br)C=C1 AC181036 [0,1,0,0,1,0|1,0,1]=4 209 B10R1.13 NC(=N)C1=CC=C(Cl)C=C1 AC180714 [0,1,0,0,1,0|1,0,1]=4 210 B10R1.13 NC(=N)C1=CC=C(N)C=C1 AC511622 [0,1,0,0,1,0|1,0,1]=4 211 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AC190321 [0,1,0,0,1,0|1,0,1]=4 212 B10R1.13 NC(=O)C1=CC=C(F)C=C1 AC511804 [0,1,0,0,1,0|1,0,1]=4 213 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 AC180441 [0,1,0,0,1,0|1,0,1]=4 214 B10R1.13 OC1=CC=C(C=C1)C(F)F AC512172 [0,1,0,0,1,0|2,0,0]=4 215 B10R1.28 CC(C)(C)C1=CC=NC=C1 AC180164 [0,1,0,0,1,0|2,0,0]=4 216 B10R1.28 CC(C)(N)C1=CC=CC=C1 AC500102 [0,1,0,0,1,0|0,0,0]=2 217 B10R1.28 CC(C)(N)C1=CC=CN=C1 AC182353 [0,1,0,0,1,0|1,0,0]=3 218 B10R1.61 CC(=O)C1=CC=CC=C1Br AC511597 [0,1,0,0,1,0|1,0,1]=4 219 B10R1.61 CC(=O)C1=CC=CC=C1Cl AC500259 [0,1,0,0,1,0|1,0,1]=4 220 B10R1.61 CC(=O)C1=CC=CC=C1I LN00159959 [0,1,0,0,1,0|1,0,1]=4 221 B10R1.61 CC(=O)C1=CC=CC=C1N AC180212 [0,1,0,0,1,0|1,0,1]=4 222 B10R1.61 CC(=O)C1=CC=CC=C1O AC510427 [0,1,0,0,1,0|1,0,1]=4 223 B10R1.61 CC(C)C1=C(N)N=CC=C1 AC010483 [0,1,0,0,1,0|2,0,0]=4 224 B10R1.61 CN(C)C1=CC=CC=C1N AC511923 [0,1,0,0,1,0|2,0,0]=4 225 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [0,1,0,0,1,0|1,0,0]=3 226 B10R1.61 C[C@H](C1=CC=CC=C1Br)N LN02156247 [0,1,0,0,1,0|0,0,0]=2 227 B10R1.61 C[C@H](N)C1=CC=CC=C1F AC181536 [0,1,0,0,1,0|0,0,0]=2 228 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [0,1,0,0,1,0|1,0,0]=3 229 B10R1.61 C[C@H](O)C1=CC=CN=C1N AC020958 [0,1,0,0,1,0|2,0,0]=4 230 B10R1.61 FC(F)C1=CC=CC=C1Br AC010373 [0,1,0,0,1,0|2,0,0]=4 231 B10R1.61 NC(=O)C1=C(N)C=CC=C1 AC190185 [0,1,0,0,1,0|1,0,1]=4 232 B10R1.61 NC(=O)C1=CC=CC=C1I AC190079 [0,1,0,0,1,0|1,0,1]=4 233 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 AC500258 [0,1,0,0,1,0|1,0,1]=4 234 B10R1.113 CC(=O)C1=CC=CC(F)=C1 AC180005 [0,1,0,0,1,0|1,0,1]=4 235 B10R1.113 CC(C1=CC(=CC=C1)Br)N LN01347982 [0,1,0,0,1,0|0,0,0]=2 236 B10R1.113 CC(N)C1=CC(O)=CC=C1 AC020799 [0,1,0,0,1,0|0,0,0]=2 237 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC021480 [0,1,0,0,1,0|0,0,0]=2 238 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC182169 [0,1,0,0,1,0|0,0,0]=2 239 B10R1.113 CN(C)C1=CC=CC(O)=C1 AC190067 [0,1,0,0,1,0|2,0,0]=4 240 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AC511565 [0,1,0,0,1,0|0,0,0]=2 241 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 AC020029 [0,1,0,0,1,0|0,0,0]=2 242 B10R1.113 NC(=N)C1=CC=CC(Br)=C1 AC181813 [0,1,0,0,1,0|1,0,1]=4 243 B10R1.113 NC(=O)C1=CC=CC(N)=C1 HY-12022 [0,1,0,0,1,0|1,0,1]=4 244 B12R1.27 CC(CO)NCC1=CC=CC=C1 AC030107 [0,1,0,0,0,1|1,0,0]=3 245 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC511452 [0,1,0,0,0,1|1,0,1]=4 246 B12R1.27 OCC(=O)OCC1=CC=CC=C1 AC510721 [0,1,0,0,0,1|1,0,1]=4 247 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O AC510918 [0,1,0,0,0,1|1,0,1]=4 248 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 AC021707 [0,1,0,0,0,1|1,0,1]=4 249 B12R1.4 CCC1=CC=C(C=C1)CC(=O)C LN02141449 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 AC180232 [0,2,0,0,0,0|1,0,1]=4 251 B12R1.4 COC1=CC=C(CC(N)=N)C=C1 AC030199 [0,2,0,0,0,0|1,0,1]=4 252 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AC021290 [0,2,0,0,0,0|1,0,1]=4 253 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC130035 [0,2,0,0,0,0|1,0,1]=4 254 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC511588 [0,2,0,0,0,0|1,0,1]=4 255 B12R1.233 CC(C)OC1=C(Cl)C=C(N)C=C1 AC050038 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 AC021703 [0,2,0,0,0,0|1,0,1]=4 257 B12R1.225 CC(Br)C(=O)C1=CC=CC(Cl)=C1 AC190230 [0,2,0,0,0,0|1,0,1]=4 258 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 HY-B1116 [0,2,0,0,0,0|0,0,0]=2 259 B12R1.32 CCOC(=O)CC1=CC=CC=C1 AC500159 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091A [0,2,0,0,0,0|2,0,0]=4 262 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 AC512142 [0,2,0,0,0,0|1,0,1]=4 263 B12R1.118 OCC(CO)CC1=CC=CC=C1 AC021392 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 HY-B0938 [0,2,0,0,0,0|0,0,0]=2 265 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 AC500125 [0,2,0,0,0,0|1,0,1]=4 266 B12R1.75 C=CC1=CC=CC=C1OC(C)C LN01306961 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.438 CC(=O)CC1=CC=CC(=C1)C#N AC021089 [0,2,0,0,0,0|1,0,1]=4 268 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [1,0,0,1,0,0|1,0,0]=3 269 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [1,0,0,1,0,0|1,0,0]=3 270 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [1,0,0,1,0,0|0,0,0]=2 271 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [1,0,0,1,0,0|1,0,0]=3 272 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [1,0,0,1,0,0|1,0,0]=3 273 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [1,0,0,1,0,0|1,0,0]=3 274 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [1,0,0,1,0,0|1,0,0]=3 275 B10R2.7 C1NCC2=CN=CC=C12 AC182745 [1,0,0,1,0,0|2,0,0]=4 276 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [1,0,0,1,0,0|1,0,0]=3 277 B10R2.7 N1C=CC2=C1C=CC=C2 AC130112 [1,0,0,1,0,0|0,0,2]=4 278 B10R2.7 N1N=CC2=C1C=CC=C2 AC511172 [1,0,0,1,0,0|1,0,1]=4 279 B10R2.7 N1N=NC2=C1C=CC=C2 AC190223 [1,0,0,1,0,0|2,0,0]=4 280 B12R2.24 NC1CCC2=C(C1)C=CC=C2 AC511993 [0,0,0,1,0,1|0,0,0]=2 281 B12R2.24 NC1CSC2=CC=CC=C2C1 AC320002 [0,0,0,1,0,1|0,0,0]=2 282 B12R2.24 N[C@@H]1COC2=C(C1)C=CC=C2 AC182794 [0,0,0,1,0,1|0,0,0]=2 283 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 AC160458 [0,0,0,1,0,1|1,0,1]=4 284 B12R2.24 O=C1CCC2=CC=CC=C2N1 AC180323 [0,0,0,1,0,1|1,0,1]=4 285 B12R2.24 O=C1COC2=CC=CC=C2N1 AC180799 [0,0,0,1,0,1|1,0,1]=4 286 B12R2.24 OC1CCC2=CC=CC=C2C1 AC220098 [0,0,0,1,0,1|1,0,0]=3 287 B12R2.294 C1=C(C=CC(=C1)OC2CC2)Br LN01326023 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.606 BrC1=CC2=C(NC(=O)C2)C=C1 AC181015 [0,1,0,1,0,0|1,0,1]=4 289 B12R2.606 C1=C2CC(=O)NC2=CC(=C1)Br LN00004134 [0,1,0,1,0,0|1,0,1]=4 290 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 LN00338720 [0,1,0,1,0,0|0,0,2]=4 291 B12R2.606 CC1=CC2=C(CC(=O)N2)C=C1 AC182292 [0,1,0,1,0,0|1,0,1]=4 292 B12R2.606 CC1=CC2=C(N1)C=CC(Br)=C2 AC330002 [0,1,0,1,0,0|0,0,2]=4 293 B12R2.606 CC1=CC2=C(N1)C=CC(Cl)=C2 AC070078 [0,1,0,1,0,0|0,0,2]=4 294 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 AC181016 [0,1,0,1,0,0|1,0,1]=4 295 B12R2.606 CC1=NC2=CC=C(N)C=C2N1 AC181023 [0,1,0,1,0,0|1,0,1]=4 296 B12R2.606 CC1CC2=CC(N)=CC=C2O1 AC130077 [0,1,0,1,0,0|1,0,0]=3 297 B12R2.606 ClC1=CC2=C(CC(=O)N2)C=C1 AC510839 [0,1,0,1,0,0|1,0,1]=4 298 B12R2.606 FC1=CC=C2NC(=O)CC2=C1 AC181437 [0,1,0,1,0,0|1,0,1]=4 299 B12R2.606 IC1=CC=C2NC(=O)CC2=C1 AC021254 [0,1,0,1,0,0|1,0,1]=4 300 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 AC182317 [0,1,0,1,0,0|1,0,1]=4 301 B12R2.606 NC1CC2=C(C1)C=C(Br)C=C2 AC181897 [0,1,0,1,0,0|0,0,0]=2 302 B12R2.606 OC1=CC2=C(NC(=O)C2)C=C1 AC160398 [0,1,0,1,0,0|1,0,1]=4 303 B12R2.18 CC1=CC2=CC=CC=C2N1C LN00009059 [0,1,0,1,0,0|0,0,2]=4 304 B12R2.18 N[C@@H]1[C@H](O)CC2=C1C=CC=C2 AC180902 [0,1,0,1,0,0|1,0,0]=3 305 B12R2.32 C#CC1CC2=CC=CC=C2C1 AC020195 [0,1,0,1,0,0|1,0,0]=3 306 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 AC181642 [0,1,0,1,0,0|0,0,2]=4 307 B12R2.32 OCC1CC2=CC=CC=C2C1 AC050025 [0,1,0,1,0,0|1,0,0]=3 308 B12R2.202 BrC1=C2NC(=O)CC2=CC=C1 AC010324 [0,1,0,1,0,0|1,0,1]=4 309 B12R2.202 CC1=NC2=C(N1)C=CC=C2Br AC070056 [0,1,0,1,0,0|1,0,1]=4 310 B12R2.202 FC1=CC=CC2=C1NC(=O)C2 AC181438 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.8 C(CO)C1=CSC=C1 LN00188198 [1,0,0,0,1,0|2,0,0]=4 312 B8R1.8 CNCC1=CSC=C1 AC030026 [1,0,0,0,1,0|2,0,0]=4 313 B8R1.8 NCCC1=CC=CO1 AC030027 [1,0,0,0,1,0|1,0,0]=3 314 B8R1.8 NCCC1=CN=CN1 HY-B1204 [1,0,0,0,1,0|2,0,0]=4 315 B8R1.8 NCCC1=CNC=N1 HY-A0129 [1,0,0,0,1,0|2,0,0]=4 316 B8R1.8 OCCC1=CSC=C1 AC180238 [1,0,0,0,1,0|2,0,0]=4 317 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [0,0,0,0,2,0|2,0,0]=4 318 B8R1.7 CC(N)C1=NC=CS1 AC182658 [0,0,0,0,2,0|2,0,0]=4 319 B12R1.252 C[C@@H](COCC1=CC=CC=C1)O LN01358023 [0,0,0,0,0,2|1,0,0]=3