0 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O LN00159009 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.13 C1=C(C=CC(=C1)I)B(O)O LN00008579 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 C1=C(C=CC(=C1)O)B(O)O LN00138842 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.13 C1=CC(=N)NC=C1B(O)O LN00194883 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 C1=CC(=NC=C1Br)C(=O)O LN00009289 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 C1=NC(=CN=C1C(=O)O)Br LN00171312 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 C1=NC(=CN=C1C(=O)O)N LN00159244 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 AC511499 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AC181609 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC182130 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 CC(=O)C1=CN=C(C=C1)Br LN00170457 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 AC181883 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 CC1=CC=C(C=C1)B(O)O AC500015 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.13 CC1=CC=C(C=C1)C(O)=O AC190159 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.13 CC1=CC=C(C=C1)S([O-])=O AC510965 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.13 CC1=CN=C(C=C1)C(O)=O AC181304 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.13 CC1=CN=C(C=C1)[N+]([O-])=O AC180941 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.13 CC1=NC=C(C=C1)B(O)O AC190074 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 CC1=NC=C(C=C1)[N+]([O-])=O AC181800 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 CC1=NC=C(C=N1)C(=O)O LN00156992 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.13 CC1=NN=C(C=C1)C(O)=O AC182475 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.13 CN(C)C1=CC=C(C=C1)O LN00220688 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 AC020028 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.13 NC(=N)C1=CC=C(Br)C=C1 AC181036 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 NC(=N)C1=CC=C(Cl)C=C1 AC180714 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.13 NC(=N)C1=CC=C(N)C=C1 AC511622 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AC190321 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.13 NC(=O)C1=CC=C(F)C=C1 AC511804 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 AC182570 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 AC180441 [0,0,0,0,0,0|2,1,0]=3 41 B10R1.13 NC1=CC=C(C=C1)B(O)O AC090205 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.13 NC1=CC=C(C=C1)C(O)=O HY-B1008 [0,0,0,0,0,0|1,0,0]=1 43 B10R1.13 NC1=CC=C(N=C1)C(O)=O AC181509 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.13 NC1=NC=C(C=N1)C(O)=O AC181924 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.13 NC1=NN=C(C=C1)C(O)=O AC181995 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.13 OB(O)C1=CC=C(Br)C=C1 AC500010 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 AC180418 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.13 OB(O)C1=CC=C(F)C=C1 AC180417 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.13 OB(O)C1=CC=C(F)N=C1 AC130003 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.13 OB(O)C1=CC=C(I)C=C1 AC181226 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.13 OB(O)C1=CC=C(O)C=C1 AC181172 [0,0,0,0,0,0|1,0,1]=2 52 B10R1.13 OB(O)C1=CC=C(O)N=C1 AC190026 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.13 OC(=O)C1=CC=C(Br)C=N1 AC180939 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AC181373 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.13 OC(=O)C1=CC=C(Cl)N=C1 AC180144 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.13 OC(=O)C1=CC=C(F)N=C1 AC512097 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.13 OC(=O)C1=CC=C(I)C=C1 AC510881 [0,0,0,0,0,0|1,0,0]=1 58 B10R1.13 OC(=O)C1=CC=C(O)C=C1 AC190218 [0,0,0,0,0,0|0,0,0]=0 59 B10R1.13 OC(=O)C1=CC=C(O)C=N1 AC181066 [0,0,0,0,0,0|1,0,0]=1 60 B10R1.13 OC(=O)C1=CC=C(O)N=C1 AC180148 [0,0,0,0,0,0|1,0,0]=1 61 B10R1.13 OC(=O)C1=NC=C(Br)C=N1 AC511903 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.13 OC(=O)C1=NC=C(Cl)C=C1 AC510981 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.13 OC(=O)C1=NC=C(F)C=C1 AC181804 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.13 OC(=O)C1=NC=C(O)N=C1 HY-76210 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.13 OC(=O)C1=NN=C(Cl)C=C1 AC511081 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.13 OC1=CC=C(C=C1)C(F)F AC512172 [0,0,0,0,0,0|2,0,1]=3 67 B10R1.13 [O-][N+](=O)C1=CC=C(Cl)C=N1 AC181532 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.13 [O-][N+](=O)C1=CC=C(F)C=C1 AC500316 [0,0,0,0,0,0|2,0,1]=3 69 B10R1.13 [O-][N+](=O)C1=CN=C(Br)C=C1 AC130898 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.13 [O-][N+](=O)C1=CN=C(Cl)C=C1 AC511702 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.13 [O-][N+](=O)C1=CN=C(F)C=C1 AC181569 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.13 [O-][N+](=O)C1=NC=C(Br)C=C1 AC180808 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.13 [O-][N+](=O)C1=NC=C(F)C=C1 AC280026 [0,0,0,0,0,0|3,0,1]=4 74 B9R1.1 BC1=CC=C(OC)C=C1 AC090165 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 BrC1=CC=C(C=C)C=C1 AC500252 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 BrC1=CC=C(C=C1)C#C AC310107 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.1 BrC1=CC=C(C=C1)C#N AC500050 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.1 BrC1=CC=C(C=O)C=C1 AC130129 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.1 BrC1=CC=C(C=O)C=N1 AC181833 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.1 BrC1=CC=C(C=O)N=C1 AC181786 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.1 BrCC1=CC=C(Br)C=C1 AC511101 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.1 BrCC1=CC=C(I)C=C1 AC511536 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.1 C#CC1=CC=C(C=C1)N LN00337947 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.1 C1=C(C=CC(=C1)Cl)CN LN00007551 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.1 C1=C(C=CC(=C1)I)CN LN00181807 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.1 C1=C(C=CC(=C1)I)CO LN00140802 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.1 CC1=CC=C(C=C1)C#C AC310130 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.1 CC1=CC=C(C=O)C=C1 AC131766 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.1 CC1=CC=C(C=O)C=N1 AC100063 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.1 CC1=CC=C(C=O)N=C1 AC511100 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 CC1=CC=C(CO)C=N1 AC100103 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.1 CC1=CC=C(NN)C=C1 AC510908 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 CC1=NC=C(C=O)C=N1 AC190110 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 COC1=CC=C(I)C=C1 AC190049 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 COC1=CC=C(S)C=C1 AC130236 [1,0,0,0,0,0|2,1,0]=4 97 B9R1.1 COC1=NC=C(O)C=C1 AC511210 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.1 ClC1=CC=C(C=C1)C#C AC310131 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.1 ClC1=CC=C(C=C1)C#N AC510885 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.1 ClC1=CC=C(C=O)C=N1 AC020051 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 ClC1=CN=C(C=O)C=C1 AC182265 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.1 ClCC1=CC=C(Br)C=C1 AC511747 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.1 FC1=CC=C(C=C1)C#C AC310126 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.1 FC1=CC=C(C=C1)C#N AC180025 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.1 FC1=CC=C(C=O)C=C1 AC131767 [1,0,0,0,0,0|1,0,0]=2 107 B9R1.1 FC1=CN=C(C=O)C=C1 AC511176 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 FC1=NC=C(C=O)C=C1 AC511039 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.1 IC1=CC=C(C=C1)C#N AC500297 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.1 IC1=CC=C(C=O)C=C1 AC180421 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.1 NC1=CC=C(C=C1)C#C AC310136 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.1 NC1=CC=C(C=C1)C#N AC190216 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.1 NC1=CC=C(CO)C=C1 AC510886 [1,0,0,0,0,0|1,0,1]=3 114 B9R1.1 NC1=NC=C(C=O)C=N1 AC511477 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 NCC1=CC=C(Br)C=C1 AC500062 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.1 NCC1=CC=C(Cl)C=C1 AC510625 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.1 NCC1=CC=C(O)C=C1 AC190229 [1,0,0,0,0,0|1,0,1]=3 118 B9R1.1 NNC1=CC=C(Br)C=C1 AC131225 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 OC1=CC=C(C=C1)C#N AC190204 [1,0,0,0,0,0|1,0,1]=3 120 B9R1.1 OC1=CC=C(C=O)C=C1 AC130039 [1,0,0,0,0,0|0,0,0]=1 121 B9R1.1 OC1=CC=C(C=O)C=N1 AC511193 [1,0,0,0,0,0|1,0,0]=2 122 B9R1.1 OC1=CN=C(C=O)C=C1 AC511243 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.1 OCC1=CC=C(Br)C=C1 AC190199 [1,0,0,0,0,0|1,0,1]=3 124 B9R1.1 OCC1=CC=C(Cl)C=C1 AC190200 [1,0,0,0,0,0|1,0,1]=3 125 B9R1.1 OCC1=CC=C(Cl)N=C1 AC181178 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.1 OCC1=CC=C(I)C=C1 AC511569 [1,0,0,0,0,0|1,0,1]=3 127 B9R1.1 OCC1=NC=C(Br)C=C1 AC181754 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.1 OCC1=NC=C(O)C=C1 AC512020 [1,0,0,0,0,0|1,0,1]=3 129 B9R1.1 SC1=CC=C(C=C1)C#N AC050521 [1,0,0,0,0,0|1,1,1]=4 130 B9R1.6 C1=CN=CC(=C1)B(O)O LN00004871 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.6 CC(=O)C1=CN=CC=N1 AC510694 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.6 CC(=O)C1=CN=CN=C1 AC050215 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.6 CC(=O)C1=NC=CC=N1 AC182273 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.6 CC(=O)C1=NC=NC=C1 LN00221164 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [1,0,0,0,0,0|1,0,1]=3 140 B9R1.6 ClC(=O)C1=CN=CN=C1 AC160433 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.6 NC(=N)C1=CC=CN=C1 AC180531 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.6 NC(=S)C1=NC=CC=C1 AC180667 [1,0,0,0,0,0|2,1,0]=4 146 B9R1.6 OB(O)C1=CC=CC=C1 AC130043 [1,0,0,0,0,0|1,0,1]=3 147 B9R1.6 OB(O)C1=CC=NC=C1 AC090084 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.6 OB(O)C1=CN=CC=C1 AC181089 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.6 OC(=O)C1=CC=CN=C1 AC510862 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.6 OC(=O)C1=CC=CN=C1 HY-B0143 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.6 OC(=O)C1=CC=NN=C1 AC180268 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.6 OC(=O)C1=CN=CN=C1 AC020529 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.6 OC(=O)C1=NC=CC=C1 AC190264 [1,0,0,0,0,0|1,0,0]=2 154 B9R1.6 OC(=O)C1=NC=CC=N1 AC181135 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.6 OC(=O)C1=NC=CN=C1 AC021096 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.6 OC(=O)C1=NC=NC=C1 AC180734 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.6 OC(=O)C1=NN=CC=C1 AC511154 [1,0,0,0,0,0|2,0,0]=3 158 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] LN00335623 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O LN00115884 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] LN00150310 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N AC180027 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 AC511182 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.3 CC(=O)C1=CN=C(C=C1)OC LN00220760 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.3 COC1=CC=C(C=C1)B(O)O AC180419 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.3 COC1=CC=C(C=N1)B(O)O LN00005621 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.3 COC1=CC=C(C=N1)C(N)=O AC040095 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.3 COC1=CN=C(C=C1)C(O)=O AC500082 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.3 COC1=CN=C(C=N1)C(=O)O LN00011206 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.3 COC1=NC=C(C=C1)B(O)O AC510374 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.3 COC1=NC=C(C=C1)C(C)=O AC510693 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.3 COC1=NC=C(C=C1)C(O)=O AC511139 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.3 CSC1=CC=C(C=C1)B(O)O AC090245 [0,1,0,0,0,0|1,1,1]=4 173 B11R1.3 CSC1=NC=C(C=N1)C(O)=O AC070104 [0,1,0,0,0,0|2,1,0]=4 174 B11R1.3 NC(=N)C1=CC=C(C=C1)C#N AC360001 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.3 NCC1=CC=C(C=C1)C(O)=O HY-B1258 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.3 NNC1=CC=C(C=C1)[N+]([O-])=O AC511770 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.3 NNC1=NC=C(C=C1)C(O)=O AC181712 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.3 OB(O)C1=CC=C(C=C)C=C1 AC310132 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.3 OB(O)C1=CC=C(C=C1)C#N AC020052 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.3 OB(O)C1=CC=C(C=O)C=C1 AC500008 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 AC090194 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.3 OC(=O)C1=CC=C(C=C)C=C1 AC510627 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.3 OC(=O)C1=CC=C(C=C1)C#C AC500166 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.3 OC(=O)C1=CC=C(C=O)C=C1 AC510882 [0,1,0,0,0,0|0,0,1]=2 185 B11R1.3 OC(=O)C1=CC=C(N=C1)C#N AC181213 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.3 OCC1=CC=C(C=C1)B(O)O AC090183 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.3 OCC1=CC=C(C=C1)C(O)=O AC511649 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.3 OCC1=CC=C(C=C1)[N+]([O-])=O AC511761 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.3 [O-][N+](=O)C1=CC=C(C=C)C=C1 AC270041 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.3 [O-][N+](=O)C1=CC=C(C=C1)C#C AC511032 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.3 [O-][N+](=O)C1=CC=C(C=O)C=C1 AC510508 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 AC190213 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O LN00194072 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.19 CC1=CC=C(C=C1)S(Cl)(=O)=O AC190162 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC021526 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC050314 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC051052 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC130238 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.19 CC1=CC=C(C=C1)S([O-])(=O)=O AC190158 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 AC130923 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 AC180425 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC190146 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.19 ClC1=CC=C(C=C1)S(Cl)(=O)=O AC190318 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.19 NC1=CC=C(C=C1)S(N)(=O)=O HY-B0242 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.19 NS(=O)(=O)C1=CC=C(Br)C=C1 AC190319 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F AC180033 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.21 C1=CC(=C(C=C1B(O)O)Cl)Cl LN00118281 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br LN00009079 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])I)N LN00009890 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O LN01360918 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 AC180895 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.21 CC(=O)C1=CC=C(F)C(Cl)=C1 AC511644 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.21 CC(=O)C1=CC=C(F)C(F)=C1 AC511682 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 AC160576 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.21 CC(C)C1=CC(C)=C(O)C=C1 AC060016 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.21 CC1=C(Br)C=C(C=C1)[N+]([O-])=O AC511797 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.21 CC1=C(Br)C=CC(=C1)C(O)=O AC180420 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)I LN01356961 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I LN00009376 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.21 CC1=C(C=C(C=N1)C(=O)O)Br LN01322628 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.21 CC1=C(F)C=C(C=C1)C(O)=O AC180041 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.21 CC1=C(F)C=CC(=C1)C(O)=O AC510753 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.21 CC1=CC(=CC=C1F)B(O)O AC090059 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.21 CC1=CC(=CC=C1O)C(O)=O AC180983 [0,1,0,0,0,0|0,0,0]=1 225 B11R1.21 CC1=CC(=CN=C1O)C(=O)O LN00279505 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.21 CC1=CC(=NC=C1Br)C(O)=O AC182131 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.21 CC1=CC=C(C=C1Br)C(O)=O AC511792 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.21 CC1=CC=C(C=C1C)B(O)O AC090180 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.21 CC1=CC=C(C=C1O)[N+]([O-])=O AC511728 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.21 CC1=NC=C(C=C1Br)C(O)=O AC050264 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.21 CC1=[N+]([O-])C=C(N=C1)C(O)=O HY-B0283 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.21 FC1=C(F)C=C(C=C1)C(Cl)=O AC021119 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.21 NC1=C(Br)C=CC(=C1)[N+]([O-])=O AC180505 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.21 NC1=C(F)C=C(C=C1)[N+]([O-])=O AC180397 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.21 NC1=C(F)C=CC(=C1)[N+]([O-])=O AC511683 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.21 NC1=C(N)C=C(C=C1)C(O)=O AC200130 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.21 NC1=CC=C(C=C1F)C(O)=O AC511703 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.21 NC1=CC=C(C=C1O)C(O)=O AC180334 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.21 OB(O)C1=CC(Cl)=C(F)C=C1 AC511508 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 AC511884 [0,1,0,0,0,0|1,0,1]=3 241 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 AC070113 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.21 OB(O)C1=CC(F)=C(F)C=C1 AC181124 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.21 OB(O)C1=CC=C(Cl)C(Cl)=C1 AC500215 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.21 OC(=O)C1=CC(Br)=C(F)C=C1 AC511159 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.21 OC(=O)C1=CC(Cl)=C(Cl)N=C1 AC510765 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.21 OC(=O)C1=CC(Cl)=C(F)C=C1 AC511282 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.21 OC(=O)C1=CC(F)=C(Cl)N=C1 AC010390 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.21 OC(=O)C1=CC(F)=C(I)C=C1 AC182155 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.21 OC(=O)C1=CC=C(Br)C(F)=C1 AC181079 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.21 OC(=O)C1=CC=C(Br)C(O)=C1 AC182195 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.21 OC(=O)C1=CC=C(Cl)C(O)=C1 AC511937 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.21 OC(=O)C1=CC=C(I)C(O)=C1 AC131761 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.21 OC(=O)C1=CC=C(O)C(O)=C1 HY-N0294 [0,1,0,0,0,0|0,0,0]=1 254 B11R1.21 OC(=O)C1=CN=C(Cl)C(Br)=C1 AC181372 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.21 OC(=O)C1=CN=C(O)C(Cl)=C1 AC180523 [0,1,0,0,0,0|1,0,0]=2 256 B11R1.21 OC(=O)C1=CNC(=O)C(Br)=C1 AC182236 [0,1,0,0,0,0|1,0,1]=3 257 B11R1.21 OC(=O)C1=NC(Br)=C(F)C=C1 AC020158 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.21 OC1=C(F)C=C(C=C1)[N+]([O-])=O AC511058 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.21 OC1=CC=C(C=C1Br)[N+]([O-])=O AC511741 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.21 OC1=NC=C(C=C1Br)[N+]([O-])=O AC181734 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.21 [O-][N+](=O)C1=CC=C(Cl)C(Br)=C1 AC511549 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.21 [O-][N+](=O)C1=CC=C(Cl)C(F)=C1 AC180892 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.21 [O-][N+](=O)C1=CC=C(Cl)C(I)=C1 AC021173 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.21 [O-][N+](=O)C1=CC=C(F)C(Br)=C1 AC130403 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.22 C1=C(C=CC(=C1)Br)C(=O)CN LN00146620 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.22 C1=C(C=CC(=C1)Cl)[C@@H](CO)N LN02185263 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.22 C1=C(C=CC(=C1)F)C(=O)NN LN00116928 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.22 C1=C(C=CC(=C1)F)[C@H](CO)N LN01359282 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr AC500028 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.22 CC1=CC=C(C=C1)[C@@H](CO)N LN02185267 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br LN00225179 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 AC181779 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 AC181863 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AC021180 [0,1,0,0,0,0|1,0,0]=2 275 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 AC190192 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.22 COC(=O)C1=CC=C(F)N=C1 AC510655 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.22 COC(=O)C1=CC=C(I)C=C1 AC130758 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AC500030 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.22 COC(=O)C1=CC=C(O)C=C1 AC190171 [0,1,0,0,0,0|0,0,0]=1 280 B11R1.22 COC(=O)C1=CN=C(C)C=C1 AC021708 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 AC511665 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.22 COC(=O)C1=CN=C(N)C=C1 AC181104 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 AC511168 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.22 COC(=O)C1=NC=C(C)C=N1 AC051089 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 AC512123 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.22 COC(=O)C1=NC=C(N)C=C1 AC160157 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.22 COC(=O)C1=NC=C(N)N=C1 AC182456 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 AC511897 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.22 FC1=CC=C(C=C1)C(=O)CBr AC510754 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 AC512178 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.22 NCC(O)C1=CC=C(O)C=C1 HY-B0528A [0,1,0,0,0,0|1,0,1]=3 292 B11R1.22 NNC(=O)C1=CNC(=O)C=C1 AC070108 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.22 O/N=C(\Cl)C1=CC=C(Br)C=C1 AC050902 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O LN00008566 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.166 C1=CC(=C(C=C1F)Br)[N+](=O)[O-] LN00009950 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.166 C1=CC(=C(C=C1O)Br)C(=O)O LN01038895 [0,1,0,0,0,0|0,0,0]=1 297 B11R1.166 C1=CC(=C(C=C1O)F)[N+](=O)[O-] LN00116278 [0,1,0,0,0,0|1,0,1]=3 298 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl LN01796470 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 AC220119 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.166 CC(=O)C1=CC=C(Br)C=C1O AC181677 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br AC511164 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl AC500263 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.166 CC(=O)C1=CC=C(N)C=C1O AC511889 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.166 CC(=O)C1=CC=C(O)C=C1F AC021126 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.166 CC(=O)C1=NC=C(F)C=C1F AC050224 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.166 CC1=C(C=CC(Cl)=C1)[N+]([O-])=O AC180382 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.166 CC1=C(C=CC(O)=N1)[N+]([O-])=O AC510714 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.166 CC1=C(N=CC(Br)=C1)C(O)=O AC182133 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.166 CC1=CC(Br)=CC=C1C(O)=O AC250047 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.166 CC1=CC(Br)=CC=C1[N+]([O-])=O AC050901 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.166 CC1=CC(Cl)=C(C=C1)[N+]([O-])=O AC181490 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.166 CC1=CC(Cl)=CN=C1C(O)=O AC182134 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.166 CC1=CC(F)=C(C=C1)C(O)=O AC181531 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.166 CC1=CC(F)=C(C=C1)[N+]([O-])=O AC180188 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.166 CC1=CC(N)=CC=C1C(O)=O AC181976 [0,1,0,0,0,0|1,0,0]=2 316 B11R1.166 CC1=CC(O)=C(C=N1)C(O)=O AC181761 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.166 CC1=CC(O)=CC=C1B(O)O AC090175 [0,1,0,0,0,0|1,0,1]=3 318 B11R1.166 CC1=CC(O)=NC=C1[N+]([O-])=O AC180256 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=C1 AC181625 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.166 CC1=CC=C(B(O)O)C(F)=C1 AC181906 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.166 CC1=CC=C(C(O)=O)C(Br)=C1 AC511793 [0,1,0,0,0,0|1,0,0]=2 322 B11R1.166 CC1=CC=C(C(O)=O)C(Cl)=N1 AC020050 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.166 CC1=CC=C(C(O)=O)C(N)=C1 AC511862 [0,1,0,0,0,0|1,0,0]=2 324 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)C LN00181449 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)Cl LN00131032 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.166 NC(=N)C1=CC=C(Br)C=C1F AC021555 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.166 NC(=O)C1=C(N)N=C(Cl)C=C1 AC020634 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N AC182388 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.166 NC1=C(C=CC(Cl)=C1)C(O)=O AC180214 [0,1,0,0,0,0|1,0,0]=2 330 B11R1.166 NC1=C(C=CC(Cl)=C1)[N+]([O-])=O AC500225 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.166 NC1=C(C=CC(Cl)=N1)C(O)=O AC020633 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.166 NC1=CC(Br)=CC=C1C(O)=O AC181692 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.166 NC1=CC(Br)=CC=C1[N+]([O-])=O AC182391 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.166 NC1=CC(Cl)=C(C=C1)C(O)=O AC511619 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.166 NC1=CC(F)=CC=C1[N+]([O-])=O AC130073 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.166 NC1=CC(I)=CC=C1C(O)=O AC182459 [0,1,0,0,0,0|1,0,0]=2 337 B11R1.166 NC1=CC=C(C(Br)=C1)[N+]([O-])=O AC512057 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.166 NC1=CC=C(C(F)=C1)[N+]([O-])=O AC181633 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.166 NC1=CC=C(C(O)=O)C(F)=C1 AC511347 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.166 NC1=CC=C(C(O)=O)C(O)=C1 HY-B1048 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.166 OB(O)C1=C(F)C=C(Cl)C=C1 AC181506 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl AC180305 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.166 OB(O)C1=CC=C(F)C=C1Cl AC181507 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.166 OB(O)C1=CC=C(F)C=C1F AC030052 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.166 OC(=O)C1=C(Br)C=C(Cl)C=C1 AC181078 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.166 OC(=O)C1=C(Br)C=C(F)C=C1 AC180537 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.166 OC(=O)C1=C(Br)N=C(F)C=C1 AC050995 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.166 OC(=O)C1=C(Cl)C=C(Cl)C=C1 AC510802 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.166 OC(=O)C1=C(Cl)C=C(F)C=C1 AC200135 [0,1,0,0,0,0|1,0,0]=2 350 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=C1 AC511019 [0,1,0,0,0,0|1,0,0]=2 351 B11R1.166 OC(=O)C1=C(F)C=C(Cl)C=C1 AC510774 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.166 OC(=O)C1=C(F)C=C(F)C=C1 AC180271 [0,1,0,0,0,0|1,0,0]=2 353 B11R1.166 OC(=O)C1=C(F)C=C(I)C=C1 AC181546 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.166 OC(=O)C1=C(F)N=C(Br)C=C1 AC050280 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.166 OC(=O)C1=C(O)C=C(Br)C=C1 AC500228 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.166 OC(=O)C1=CC=C(Br)C=C1Cl AC180439 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.166 OC(=O)C1=CC=C(Cl)C=C1I AC511491 [0,1,0,0,0,0|1,0,0]=2 358 B11R1.166 OC(=O)C1=CC=C(Cl)N=C1Cl AC180623 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.166 OC(=O)C1=CC=C(F)C=C1O AC511669 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.166 OC(=O)C1=CC=C(O)C=C1F AC181201 [0,1,0,0,0,0|0,0,0]=1 361 B11R1.166 OC(=O)C1=CN=C(Br)C=C1Cl AC050221 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.166 OC(=O)C1=CN=C(Cl)C=C1Cl AC180938 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.166 OC(=O)C1=CN=C(Cl)N=C1Cl AC182553 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.166 OC(=O)C1=CN=C(O)N=C1O AC180624 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.166 OC(=O)C1=NC=C(Br)C=C1Cl AC182704 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.166 OC(=O)C1=NC=C(Cl)C=C1Cl AC181600 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.166 OC(=O)C1=NC=C(Cl)N=C1Cl AC512007 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.166 OC(=O)C1=NC=C(F)C=C1F AC510952 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.166 OC1=C(C=CC(Br)=C1)[N+]([O-])=O AC181565 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.166 OC1=C(C=CC(F)=C1)[N+]([O-])=O AC130685 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.166 OC1=CC(Cl)=CC=C1[N+]([O-])=O AC182400 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.166 OC1=CC=C(C(Br)=C1)[N+]([O-])=O AC182511 [0,1,0,0,0,0|1,0,1]=3 373 B11R1.166 OC1=CC=C(C(I)=C1)[N+]([O-])=O AC512128 [0,1,0,0,0,0|1,0,1]=3 374 B11R1.166 [O-][N+](=O)C1=C(Br)C=C(Br)C=C1 AC181472 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.166 [O-][N+](=O)C1=C(F)C=C(Br)C=C1 AC130114 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.166 [O-][N+](=O)C1=CC=C(Cl)C=C1F AC180450 [0,1,0,0,0,0|2,0,1]=4 377 B11R1.166 [O-][N+](=O)C1=CC=C(F)C=C1Br AC181099 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.166 [O-][N+](=O)C1=CC=C(F)C=C1Cl AC181631 [0,1,0,0,0,0|2,0,1]=4 379 B11R2.34 C1CC1C2=CC=C(C=C2)O LN01357127 [0,0,0,1,0,0|2,0,1]=4 380 B9R1.35 C1=C(C(=O)O)SC(=C1)Br LN00009121 [0,0,0,0,1,0|2,0,0]=3 381 B9R1.35 CC(=O)C1=CC=C(C)S1 AC180308 [0,0,0,0,1,0|3,0,0]=4 382 B9R1.35 CC1=CC(=NO1)C(O)=O AC500307 [0,0,0,0,1,0|3,0,0]=4 383 B9R1.35 CC1=CC=C(O1)C(O)=O AC180680 [0,0,0,0,1,0|2,0,0]=3 384 B9R1.35 CC1=CC=C(S1)C(O)=O AC511071 [0,0,0,0,1,0|2,0,0]=3 385 B9R1.35 CC1=NC=C(C(=O)O)O1 LN00214770 [0,0,0,0,1,0|3,0,0]=4 386 B9R1.35 CC1=NC=C(S1)C(O)=O AC181314 [0,0,0,0,1,0|3,0,0]=4 387 B9R1.35 CC1=NNC(=C1)C(O)=O AC190259 [0,0,0,0,1,0|3,0,0]=4 388 B9R1.35 CN1C=CC(=C1)C(O)=O AC182631 [0,0,0,0,1,0|2,0,0]=3 389 B9R1.35 CN1C=CC(=N1)C(O)=O AC181030 [0,0,0,0,1,0|3,0,0]=4 390 B9R1.35 CN1C=NC(=C1)C(O)=O AC181435 [0,0,0,0,1,0|3,0,0]=4 391 B9R1.35 ClC(=O)C1=CC=C(Cl)S1 AC180470 [0,0,0,0,1,0|3,0,0]=4 392 B9R1.35 NC1=NC=C(S1)C(O)=O AC181939 [0,0,0,0,1,0|3,0,0]=4 393 B9R1.35 OC(=O)C1=CC(Br)=CS1 AC181641 [0,0,0,0,1,0|2,0,0]=3 394 B9R1.35 OC(=O)C1=CC=C(Br)O1 AC130080 [0,0,0,0,1,0|2,0,0]=3 395 B9R1.35 OC(=O)C1=CC=C(Br)S1 AC020591 [0,0,0,0,1,0|2,0,0]=3 396 B9R1.35 OC(=O)C1=CC=C(Cl)O1 AC511241 [0,0,0,0,1,0|2,0,0]=3 397 B9R1.35 OC(=O)C1=CC=C(Cl)S1 AC021211 [0,0,0,0,1,0|2,0,0]=3 398 B9R1.35 OC(=O)C1=CN=C(Br)S1 AC511727 [0,0,0,0,1,0|3,0,0]=4 399 B9R1.35 OC(=O)C1=CSC(Br)=C1 AC051032 [0,0,0,0,1,0|2,0,0]=3 400 B9R1.35 OC(=O)C1=CSC(Br)=N1 AC181839 [0,0,0,0,1,0|3,0,0]=4 401 B9R1.35 OC(=O)C1=NNC(Cl)=C1 AC182427 [0,0,0,0,1,0|3,0,0]=4 402 B11R1.20 CC(=NC1=CC=C(C=C1)I)O LN01092551 [0,0,0,0,0,1|2,0,0]=3 403 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 AC180006 [0,0,0,0,0,1|2,0,0]=3 404 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 AC190309 [0,0,0,0,0,1|2,0,0]=3 405 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HY-66005 [0,0,0,0,0,1|1,0,0]=2 406 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 AC021568 [0,0,0,0,0,1|2,0,0]=3 407 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 AC020469 [0,0,0,0,0,1|1,0,0]=2 408 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HY-B1098 [0,0,0,0,0,1|2,0,1]=4 409 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 AC160443 [0,0,0,0,0,1|2,1,0]=4 410 B11R1.20 NC1=CC=C(CC(O)=O)C=C1 AC500183 [0,0,0,0,0,1|1,0,0]=2 411 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AC130091 [0,0,0,0,0,1|1,0,0]=2 412 B11R1.20 OC(=O)CC1=CC=C(F)C=C1 AC180075 [0,0,0,0,0,1|1,0,0]=2 413 B11R1.20 OC(=O)CC1=CC=C(I)C=C1 AC180656 [0,0,0,0,0,1|1,0,0]=2 414 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AC130027 [0,0,0,0,0,1|0,0,0]=1 415 B11R1.20 OC(=O)CC1=CC=C(S)C=C1 AC130028 [0,0,0,0,0,1|0,1,0]=2 416 B11R1.20 OC(=O)CC1=CN=C(Cl)C=C1 AC130212 [0,0,0,0,0,1|2,0,0]=3 417 B8R1.2 O=CC1=CC=CN=C1 AC170118 [2,0,0,0,0,0|1,0,0]=3 418 B8R1.2 O=CC1=CC=NC=C1 AC180162 [2,0,0,0,0,0|1,0,0]=3 419 B8R1.2 O=CC1=NC=CC=C1 AC500026 [2,0,0,0,0,0|1,0,0]=3 420 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|0,0,1]=3 421 B8R1.2 OCC1=CC=CN=C1 AC500154 [2,0,0,0,0,0|1,0,1]=4 422 B8R1.2 OCC1=CC=NC=C1 AC510857 [2,0,0,0,0,0|1,0,1]=4 423 B8R1.2 OCC1=NC=CC=C1 AC511744 [2,0,0,0,0,0|1,0,1]=4 424 B8R1.2 ONC1=CC=CC=C1 AC500156 [2,0,0,0,0,0|1,0,0]=3 425 B8R1.3 BrC1=CC=C(I)C=C1 AC510858 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.3 C1=CC(=NC=C1I)O LN00124595 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.3 C1=CC(=NC=C1N)O LN00008570 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.3 C1=CC(=NC=C1O)Br LN00007949 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.3 CC1=CC=C(I)C=C1 AC510888 [2,0,0,0,0,0|1,0,1]=4 430 B8R1.3 CC1=CC=C(O)C=C1 HY-B0969 [2,0,0,0,0,0|0,0,1]=3 431 B8R1.3 CC1=CC=C(O)C=N1 AC511040 [2,0,0,0,0,0|1,0,1]=4 432 B8R1.3 CC1=CNC(=O)C=C1 LN00005245 [2,0,0,0,0,0|2,0,0]=4 433 B8R1.3 ClC1=CC=C(I)C=C1 AC510909 [2,0,0,0,0,0|2,0,0]=4 434 B8R1.3 FC1=CC=C(Br)C=C1 AC190157 [2,0,0,0,0,0|2,0,0]=4 435 B8R1.3 FC1=CC=C(I)C=C1 AC190187 [2,0,0,0,0,0|2,0,0]=4 436 B8R1.3 IC1=CC=C(I)C=C1 AC510889 [2,0,0,0,0,0|2,0,0]=4 437 B8R1.3 NC1=CC=C(I)C=C1 AC510828 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.3 OC1=CC=C(Br)N=C1 AC181802 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.3 OC1=CC=C(Cl)N=C1 AC130205 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.3 OC1=CC=C(F)C=C1 AC500325 [2,0,0,0,0,0|1,0,0]=3 441 B8R1.3 OC1=CC=C(O)C=C1 HY-B0951 [2,0,0,0,0,0|0,0,0]=2 442 B8R1.3 OC1=CNC(=O)C=C1 AC511255 [2,0,0,0,0,0|1,0,0]=3 443 B8R1.3 OC1=NC=C(Br)C=C1 AC180928 [2,0,0,0,0,0|2,0,0]=4 444 B10R1.1 C1=C(C=CC(=C1)Br)CC=O LN00171423 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.1 C1=C(C=CC(=C1)Br)CCO LN00010340 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.1 C1=C(C=CC(=C1)Cl)CC=O LN01308797 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.1 C1=C(C=CC(=C1)F)CCO LN00009366 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.1 CC1=CC=C(C=C1)CC=O LN00179940 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.1 NOCC1=CC=C(Cl)C=C1 AC010098 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.1 OCCC1=CC=C(Br)C=C1 AC511093 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.1 OCCC1=CC=C(Cl)C=C1 AC180054 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.1 OCCC1=CC=C(F)C=C1 AC190322 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.3 C#CC1=CC=C(C=C1)C=O LN00221032 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.3 CNC1=CC=C(OC)C=C1 AC510861 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.3 COC1=CC=C(C=C1)C#C AC190261 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.3 COC1=CC=C(C=O)C=C1 AC500184 [1,1,0,0,0,0|0,0,0]=2 458 B10R1.3 COC1=CC=C(C=O)C=N1 AC181500 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.3 COC1=CC=C(CBr)C=C1 AC130033 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.3 COC1=CC=C(CCl)C=C1 AC131684 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.3 COC1=CC=C(CN)C=C1 AC290030 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.3 COC1=CC=C(NN)C=C1 AC511584 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.3 COC1=CN=C(CO)C=C1 AC511257 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.3 COC1=NC=C(C=O)C=N1 AC181682 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.3 NCC1=CC=C(CO)C=C1 AC181947 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.3 NCC1=CC=C(CO)C=C1 AC182460 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.3 O=CC1=CC=C(C=C1)C#C AC310104 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.3 O=CC1=CC=C(C=C1)C#N AC180061 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.3 OCC1=CC=C(C=C1)C#C AC070103 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.3 OCC1=CC=C(C=C1)C#N AC190078 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.3 OCC1=CC=C(C=O)C=C1 AC511200 [1,1,0,0,0,0|0,0,0]=2 472 B10R1.3 OCC1=CC=C(CCl)C=C1 AC050979 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.25 C1=C(C(=CN=C1Cl)C=O)N LN01359750 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.25 C1=CC(=CC(=C1C#N)O)O LN00220924 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.25 C1=CC(=CC(=C1C=O)N)F LN01315478 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.25 C1=CC(=NC(=C1C=O)N)Br LN02219294 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.25 CC1=CC(=C(C=C1)C=O)F LN00181719 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.25 CC1=CC(Br)=CC=C1C=O AC510700 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.25 CC1=CC(Cl)=CC=C1C=O AC181463 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.25 CC1=CC(F)=C(C=O)C=C1 AC511511 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.25 CC1=CC(F)=CC=C1C=O AC181464 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.25 CC1=CC=C(C=O)C(O)=C1 AC511779 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.25 ClC1=C(C=O)C=CC(Br)=C1 AC511532 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.25 ClC1=CC(Br)=C(C=O)C=C1 AC511094 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.25 ClC1=CC(Cl)=NC=C1C=O AC250026 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.25 ClC1=CC=C(C=O)C(Cl)=C1 AC510984 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.25 ClC1=CC=C(C=O)C(Cl)=N1 AC511930 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.25 FC1=C(C=O)C=CC(Br)=C1 AC510847 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.25 FC1=CC(Cl)=C(C=O)C=C1 AC500099 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.25 FC1=CC(Cl)=CC=C1C=O AC510870 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.25 FC1=CC(F)=C(C=O)C=C1 AC500219 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.25 FC1=CC=C(C=O)C(F)=N1 AC182270 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.25 NC1=CC(Br)=CC=C1C=O AC182295 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.25 OC1=CC(Br)=CC=C1C=O AC130078 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.25 OC1=CC(Cl)=C(C=O)C=C1 AC180515 [1,1,0,0,0,0|0,0,0]=2 496 B10R1.25 OC1=CC(Cl)=CC=C1C=O AC510701 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.25 OC1=CC(O)=C(C=O)C=C1 AC511006 [1,1,0,0,0,0|0,0,0]=2 498 B10R1.25 OC1=CC=C(C=O)C(Br)=C1 AC511225 [1,1,0,0,0,0|0,0,0]=2 499 B10R1.25 OCC1=CC=C(Cl)C=C1F AC180759 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.25 OCC1=CC=C(F)C=C1Br AC181077 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.176 CC1=C(C=C(C=C1)C=O)O LN01279400 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 AC050908 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.176 CC1=C(F)C=CC(C=O)=C1 AC510647 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.176 CC1=C(O)C=CC(C=O)=C1 AC511525 [1,1,0,0,0,0|0,0,0]=2 505 B10R1.176 CC1=CC(C=O)=CC=C1Br AC512095 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.176 COC1=CC(Br)=C(O)C=C1 AC010330 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.176 COC1=CC(N)=C(O)C=C1 AC130278 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.176 ClC1=C(Br)C=C(C=O)C=C1 AC511882 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.176 ClC1=CC=C(C=O)C=C1Cl AC510899 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.176 FC1=C(Br)C=CC(C=O)=C1 AC500192 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.176 FC1=C(Cl)C=CC(C=O)=C1 AC510834 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.176 OC1=C(Cl)C=C(C=O)C=C1 AC500271 [1,1,0,0,0,0|0,0,0]=2 513 B10R1.176 OC1=C(O)C=C(C=O)C=C1 AC500052 [1,1,0,0,0,0|0,0,0]=2 514 B10R1.176 OC1=CC(C=O)=CC=C1Cl AC511121 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.176 OC1=CC=C(C=C1Br)C#N AC500267 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.176 OC1=CC=C(C=C1Cl)C#N AC181248 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.176 OC1=CC=C(C=C1F)C#N AC180893 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.15 BrCC(=O)C1=CC=NC=C1 AC190075 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.15 BrCC(=O)C1=NC=CC=C1 AC190303 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.15 C/C(=N\O)C1=CC=CN=C1 AC170016 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.15 C1=CC(=NC=C1)C(=O)CBr LN00004265 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [1,1,0,0,0,0|0,0,2]=4 525 B10R1.15 C1=CC=NC(=C1)C(=NN)O LN00336703 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.15 COC(=O)C1=CC=CN=C1 AC190178 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.15 COC(=O)C1=CC=NC=C1 AC180163 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.15 COC(=O)C1=CC=NN=C1 AC182530 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.15 COC(=O)C1=CN=CN=C1 AC050514 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.15 COC(=O)C1=NC=CC=N1 AC021481 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.15 NNC(=O)C1=CC=NC=C1 HY-B0329 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.28 ClS(=O)(=O)C1=CC=CC=C1 AC190208 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.28 OS(=O)(=O)C1=CC=CC=C1 AC190167 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.61 C1=C(C(=CN=C1)Br)C(=O)O LN00009298 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.61 C1=CC(=C(C(=O)O)N=C1)F LN00173629 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.61 C1=CC=C(C(=C1)C(=N)O)Br LN00236317 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.61 C1=CC=C(C(=C1)C(=N)O)I LN00200183 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.61 C1=NC(=C(Cl)N=C1)C(=O)O LN00009177 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.61 CC(=O)C1=CC=CC=C1Br AC511597 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.61 CC(=O)C1=CC=CC=C1Cl AC500259 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.61 CC(=O)C1=CC=CC=C1I LN00159959 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.61 CC(=O)C1=CC=CC=C1N AC180212 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.61 CC(=O)C1=CC=CC=C1O AC510427 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.61 CC(=O)C1=CC=CN=C1Cl AC181741 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.61 CC1=C(C=CC=C1)B(O)O AC130310 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.61 CC1=C(C=CC=C1)C(O)=O AC511474 [1,1,0,0,0,0|0,0,0]=2 553 B10R1.61 CC1=C(C=CN=C1)C(O)=O AC270034 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.61 CC1=CC=CN=C1C(O)=O AC180861 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.61 CC1=CC=NC=C1C(O)=O AC180723 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.61 CC1=NC=CC=C1C(O)=O AC180300 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.61 CC1=NC=CN=C1C(O)=O AC182348 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.61 CC1=NC=NC=C1C(O)=O AC050390 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.61 CC1=NN=CC=C1C(O)=O AC050718 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 AC182435 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.61 NC(=O)C1=C(N)C=CC=C1 AC190185 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.61 NC(=O)C1=C(N)C=NC=C1 AC511944 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.61 NC(=O)C1=CC=CC=C1I AC190079 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.61 NC(=O)C1=CC=CN=C1N AC180726 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.61 NC(=O)C1=NC=CC=C1N AC181996 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.61 NC1=C(C=CC=C1)B(O)O AC090182 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.61 NC1=C(C=CN=C1)C(O)=O AC180749 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.61 NC1=C(C=NC=C1)C(O)=O AC180942 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.61 NC1=CC=CC=C1B(O)O AC510975 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.61 NC1=CC=CN=C1C(O)=O AC180670 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.61 NC1=NC=CC=C1C(O)=O AC510818 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.61 NC1=NN=CC=C1C(O)=O AC181217 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 AC181084 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.61 OB(O)C1=CC=CC=C1Br AC090122 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.61 OB(O)C1=CC=CC=C1F AC130319 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.61 OB(O)C1=CC=CC=C1O AC181170 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.61 OC(=O)C1=C(Br)C=CC=C1 AC510993 [1,1,0,0,0,0|0,0,0]=2 580 B10R1.61 OC(=O)C1=C(Br)N=CC=C1 AC130049 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.61 OC(=O)C1=C(Cl)C=NC=C1 AC181556 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.61 OC(=O)C1=C(F)C=NC=C1 AC160422 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.61 OC(=O)C1=C(I)C=CC=C1 AC180035 [1,1,0,0,0,0|0,0,0]=2 584 B10R1.61 OC(=O)C1=CC=CC=C1O HY-B0167 [1,1,0,0,0,0|0,0,0]=2 585 B10R1.61 OC(=O)C1=CC=CN=C1Cl AC511646 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.61 OC(=O)C1=CC=CN=C1F AC130164 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.61 OC(=O)C1=CC=NC=C1Br AC180440 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.61 OC(=O)C1=CC=NC=C1O AC170008 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.61 OC(=O)C1=CC=NNC1=O AC181972 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.61 OC(=O)C1=CN=CC=C1Cl AC180720 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.61 OC(=O)C1=NC=CC=C1Br AC181228 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.61 OC(=O)C1=NC=CC=C1Cl AC181291 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.61 OC(=O)C1=NC=CC=C1F AC181795 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.61 OC(=O)C1=NC=CC=C1O AC180151 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.61 OC(=O)C1=NC=CN=C1Br AC512171 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.61 OC(=O)C1=NC=CN=C1Cl AC210043 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.61 OC1=CC=CC=C1C([O-])=O HY-B0167A [1,1,0,0,0,0|0,0,1]=3 598 B10R1.113 C1=C(C=NC=C1C(=O)O)Cl LN00003135 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.113 C1=CC(=CC(=C1)F)B(O)O LN00116374 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)O LN00009301 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.113 C1=CC(=NC(=C1)F)C(=O)O LN00009991 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AC020983 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.113 CC(=O)C1=CC=CC(=N1)Br LN00004057 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 AC500258 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.113 CC(=O)C1=CC=CC(F)=C1 AC180005 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 AC511684 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 AC180989 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.113 CC(=O)C1=NC(C)=CC=C1 AC181994 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.113 CC1=CC(=CC=C1)B(O)O AC500109 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.113 CC1=CC(=CC=N1)C(=O)O LN00011005 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.113 CC1=CC(=CN=C1)C(O)=O AC181129 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.113 CC1=CC=CC(=N1)C(O)=O AC180370 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.113 CC1=CN=CC(=N1)C(O)=O AC182346 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.113 CC1=NC(=CN=C1)C(=O)O LN00010207 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.113 CC1=NC=CC(=C1)C(O)=O AC510752 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.113 NC(=N)C1=CC=CC(Br)=C1 AC181813 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.113 NC(=O)C1=CC(N)=CN=C1 AC182383 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.113 NC(=O)C1=CC=CC(N)=C1 HY-12022 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 HY-101407 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 AC181190 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.113 NC1=CC(=CC=C1)B(O)O AC090217 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.113 NC1=CC(=CC=N1)C(O)=O AC180915 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.113 NC1=CC=CC(=C1)B(O)O AC090109 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.113 NC1=CC=CC(=C1)B(O)O AC090193 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.113 NC1=CC=CC(=N1)C(O)=O AC180914 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.113 NC1=CN=CC(=C1)C(O)=O AC180732 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.113 NC1=CN=CC(=N1)C(O)=O AC182576 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.113 OB(O)C1=CC(Br)=CC=C1 AC511068 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 AC180810 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.113 OB(O)C1=CC(F)=CC=C1 AC180959 [1,1,0,0,0,0|1,0,1]=4 631 B10R1.113 OB(O)C1=CC(O)=CC=C1 AC181171 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.113 OC(=O)C1=CC(=O)NC=C1 AC181219 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.113 OC(=O)C1=CC(Cl)=CC=N1 AC180860 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AC511765 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.113 OC(=O)C1=CC(F)=CN=C1 AC511690 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AC181447 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.113 OC(=O)C1=CC(I)=NC=C1 AC190088 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.113 OC(=O)C1=CC(O)=CC=C1 AC190160 [1,1,0,0,0,0|0,0,0]=2 639 B10R1.113 OC(=O)C1=CC=CC(=O)N1 AC180866 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.113 OC(=O)C1=CC=NC(Br)=C1 AC181281 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.113 OC(=O)C1=CN(=O)=CC=C1 HY-B1061 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.113 OC(=O)C1=CN=CC(Cl)=C1 AC180728 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.113 OC(=O)C1=CN=CC(O)=C1 AC500286 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AC510356 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.113 OC(=O)C1=NC(Cl)=CC=C1 AC180794 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.113 OC(=O)C1=NC=CC(Br)=C1 AC511849 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.113 OC(=O)C1=NC=CC(O)=C1 AC181051 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.14 COC(=O)C1=CC(Br)=CN1 AC511002 [0,1,0,0,1,0|2,0,0]=4 649 B10R1.14 COC(=O)C1=CC(Br)=CO1 AC020441 [0,1,0,0,1,0|2,0,0]=4 650 B10R1.14 COC(=O)C1=CC(N)=CS1 AC182094 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.14 COC(=O)C1=CC(O)=NN1 AC051044 [0,1,0,0,1,0|2,0,0]=4 652 B10R1.14 COC(=O)C1=CC(O)=NO1 AC070072 [0,1,0,0,1,0|2,0,0]=4 653 B10R1.14 COC(=O)C1=CC=C(Br)O1 AC180679 [0,1,0,0,1,0|2,0,0]=4 654 B10R1.14 COC(=O)C1=CC=C(Br)S1 AC020592 [0,1,0,0,1,0|2,0,0]=4 655 B10R1.14 COC(=O)C1=CC=C(Cl)S1 AC020444 [0,1,0,0,1,0|2,0,0]=4 656 B10R1.14 COC(=O)C1=CC=C(N)S1 AC511981 [0,1,0,0,1,0|2,0,0]=4 657 B10R1.31 OC(=O)C1=CC=C(O1)C=O AC511250 [0,1,0,0,1,0|1,0,1]=4 658 B10R1.31 OCC1=CC=C(O1)C(O)=O AC511228 [0,1,0,0,1,0|1,0,0]=3 659 B10R1.58 CC1=C(C)C=C(N1)C(O)=O AC051119 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.58 OC(=O)C1=CC(Cl)=C(Cl)S1 AC511215 [0,1,0,0,1,0|2,0,0]=4 661 B10R1.59 CN1C=C(Br)C=C1C(O)=O AC182193 [0,1,0,0,1,0|2,0,0]=4 662 B12R1.4 CCC1=CC=C(C=C1)CC(=O)C LN02141449 [0,1,0,0,0,1|2,0,0]=4 663 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 AC180232 [0,1,0,0,0,1|1,0,0]=3 664 B12R1.4 COC1=CC=C(CC(N)=N)C=C1 AC030199 [0,1,0,0,0,1|2,0,0]=4 665 B12R1.4 COC1=CC=C(CC(O)=O)C=C1 AC200110 [0,1,0,0,0,1|0,0,0]=2 666 B12R1.4 COC1=CN=C(CC(O)=O)C=C1 AC200024 [0,1,0,0,0,1|1,0,0]=3 667 B12R1.4 OC(=O)CC1=CC=C(C=C1)C#N AC511054 [0,1,0,0,0,1|1,0,0]=3 668 B12R1.4 OCC1=CC=C(CC(O)=O)C=C1 AC190292 [0,1,0,0,0,1|0,0,0]=2 669 B12R1.19 CC(=O)NC1=CC(O)=C(O)C=C1 HY-G0004 [0,1,0,0,0,1|1,0,0]=3 670 B12R1.19 OC(=O)CC1=CC(Cl)=C(O)C=C1 AC130144 [0,1,0,0,0,1|0,0,0]=2 671 B12R1.19 OC(=O)CC1=CC(F)=C(O)C=C1 AC130145 [0,1,0,0,0,1|0,0,0]=2 672 B12R1.19 OC(=O)CC1=CC(O)=C(O)C=C1 AC130031 [0,1,0,0,0,1|0,0,0]=2 673 B12R1.19 OC(=O)CC1=CC=C(Br)C(F)=C1 AC182702 [0,1,0,0,0,1|1,0,0]=3 674 B12R1.19 OC(=O)CC1=CC=C(F)C(Br)=C1 AC510685 [0,1,0,0,0,1|1,0,0]=3 675 B12R1.19 OC(=O)CC1=CC=C(F)C(F)=C1 AC510919 [0,1,0,0,0,1|1,0,0]=3 676 B12R1.20 CC(C(O)=O)C1=CC=C(F)C=C1 AC180533 [0,1,0,0,0,1|1,0,0]=3 677 B12R1.20 NC(C(O)=O)C1=CC=C(Cl)C=C1 AC180496 [0,1,0,0,0,1|1,0,0]=3 678 B12R1.20 N[C@H](C(O)=O)C1=CC=C(F)C=C1 AC180888 [0,1,0,0,0,1|1,0,0]=3 679 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AC021290 [0,1,0,0,0,1|1,0,0]=3 680 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC130035 [0,1,0,0,0,1|0,0,0]=2 681 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC511588 [0,1,0,0,0,1|0,0,0]=2 682 B12R1.49 ClC1=CC=C(CC(=O)C#N)C=C1 AC050716 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.233 OC(=O)CC1=C(F)C=C(Br)C=C1 AC511468 [0,1,0,0,0,1|1,0,0]=3 684 B12R1.5 BrCC(=O)C1=CC=C(C=C1)C#N AC360009 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C AC310128 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.5 COC(=O)C1=CC=C(C=C1)[N+]#[C-] AC010267 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 AC511035 [0,2,0,0,0,0|0,0,1]=3 688 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 AC500270 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 AC170086 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 AC200104 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 AC181062 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.6 COC1=CC=C(C=C1)S(Cl)(=O)=O AC190209 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.48 C1=CC(=CC(=C1CO)F)[N+](=O)[O-] LN00167887 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.48 CC1=CC(=CC=C1C#N)C(O)=O AC182737 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.48 COC1=CC=C(C=C1Br)C(O)=O AC180347 [0,2,0,0,0,0|0,0,0]=2 696 B12R1.48 COC1=CC=C(C=C1Cl)B(O)O AC090091 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.48 COC1=CC=C(C=C1O)C(C)=O AC180841 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.48 OCC1=CC=C(C=C1Cl)[N+]([O-])=O AC182551 [0,2,0,0,0,0|1,0,1]=4 699 B12R1.113 C1=C(C=CC(=C1)[N+](=O)[O-])CCO LN00220168 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.113 CCOC1=CC=C(C=C1)B(O)O AC511606 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.113 OCCC1=CC=C(C=C1)[N+]([O-])=O AC021025 [0,2,0,0,0,0|1,0,1]=4 702 B12R1.256 C1=C(C=CC(=C1)[N+](=O)[O-])B(O)O LN00009603 [0,2,0,0,0,0|1,0,1]=4 703 B12R1.256 CC(=O)C1=CC=C(C=C1)B(O)O AC090071 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.256 CC(=O)C1=CC=C(C=C1)C(O)=O AC180046 [0,2,0,0,0,0|0,0,1]=3 705 B12R1.256 CC(C)C1=CC=C(C=C1)C(O)=O AC510822 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.256 C[C@@H](N)C1=CC=C(C=C1)C(O)=O AC021020 [0,2,0,0,0,0|1,0,0]=3 707 B12R1.256 C[C@@H](N)C1=CC=C(C=C1)C(O)=O AC050234 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.256 C[C@H](N)C1=CC=C(C=C1)C(O)=O AC050466 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.256 NC(=O)C1=CC=C(C=C1)B(O)O AC070091 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.256 OB(O)C1=CC=C(C=C1)B(O)O AC090168 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.256 OB(O)C1=CC=C(C=C1)C(O)=O AC510652 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.256 OB(O)C1=CC=C(C=C1)[N+]([O-])=O AC090120 [0,2,0,0,0,0|1,0,1]=4 713 B12R1.256 OC(=O)C1=CN=C(C=C1)[N+]([O-])=O AC181801 [0,2,0,0,0,0|1,0,1]=4 714 B12R1.256 OC(=O)C1=CN=C(C=N1)C(O)=O AC021700 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.256 OC(=O)C1=CN=C(N=C1)C(O)=O AC050304 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.256 OC(=O)C1=NC=C(C=C1)[N+]([O-])=O AC510722 [0,2,0,0,0,0|1,0,1]=4 717 B12R1.452 COC1=CC(=C(C=C1)B(O)O)F LN00010048 [0,2,0,0,0,0|1,0,1]=4 718 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])Cl LN00221221 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.452 COC1=CC(Cl)=C(C=C1)B(O)O AC181624 [0,2,0,0,0,0|1,0,1]=4 720 B12R1.452 COC1=CC(F)=C(C=C1)B(O)O AC511540 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.452 COC1=CC(F)=C(C=C1)C(O)=O AC181047 [0,2,0,0,0,0|0,0,0]=2 722 B12R1.452 COC1=CC(F)=C(C=C1)[N+]([O-])=O AC181836 [0,2,0,0,0,0|1,0,1]=4 723 B12R1.452 COC1=CC(N)=C(C=C1)C(O)=O AC181072 [0,2,0,0,0,0|0,0,0]=2 724 B12R1.452 COC1=CC=C(B(O)O)C(C)=C1 AC181508 [0,2,0,0,0,0|1,0,1]=4 725 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 HY-N0159 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.452 COC1=CC=C(C(N)=C1)[N+]([O-])=O AC021255 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.452 COC1=CC=C(C(O)=C1)[N+]([O-])=O AC010331 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.452 OC(=O)C1=CC=C(C=C1F)C#N AC511542 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O LN00183464 [0,2,0,0,0,0|1,0,1]=4 730 B12R1.56 COC1=C(N)C=CC(=C1)C(O)=O AC020100 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.56 COC1=CC(=CC=C1Br)C(O)=O AC182275 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.56 COC1=CC(=CC=C1O)C(C)=O HY-N0088 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.56 OC1=C(C=O)C=C(C=C1)[N+]([O-])=O AC020981 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.232 C1=C(C(=CC(=C1F)Br)N)C(=O)O LN01319400 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O AC160404 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.232 CC1=CC(C)=C(Br)C=C1C(O)=O AC010473 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.232 CC1=CC(F)=C(C=C1F)C(O)=O AC182219 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.232 NC1=C(C=C(F)C(F)=C1)C(O)=O AC180632 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.232 OC(=O)C1=C(F)C=C(Br)C(Cl)=C1 AC512163 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.232 OC(=O)C1=CC(Br)=C(F)C=C1Cl AC250023 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.232 OC(=O)C1=CC(Cl)=C(F)C=C1F AC181990 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.232 OC(=O)C1=CC(F)=C(Br)C=C1Cl AC180968 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.232 OC(=O)C1=CC(F)=C(Cl)N=C1Cl AC181114 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.367 CC1=C(F)C=C(C=C1)C(/N)=N/O AC021046 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.367 CC1=CC(=CC=C1Cl)C(=O)CBr AC190123 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 AC131056 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 AC500210 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 AC511927 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 AC500123 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 AC051061 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.367 COC(=O)C1=CC=C(Br)C(N)=C1 AC511860 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.367 COC(=O)C1=CC=C(Br)C(O)=C1 AC511455 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.367 COC(=O)C1=CC=C(Cl)C(F)=C1 AC180878 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.367 COC(=O)C1=CC=C(Cl)C(O)=C1 AC182641 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.367 COC(=O)C1=CC=C(F)C(C)=C1 AC181942 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.367 COC(=O)C1=CC=C(N)C(C)=C1 AC180696 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=N1 AC060012 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 AC181750 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=C1 AC182016 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.367 COC(=O)C1=NC(C)=C(N)C=C1 AC010206 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.367 COC(=O)C1=NC(N)=C(Br)C=C1 AC050750 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.367 ClC1=C(Cl)C=C(C=C1)C(=O)CBr AC190248 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715A [0,2,0,0,0,0|1,0,1]=4 764 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715B [0,2,0,0,0,0|1,0,1]=4 765 B12R1.367 OC1=CC=C(C=C1O)C(=O)CCl AC511820 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.367 ONC(=O)C1=CC=C(O)C(O)=C1 HY-19387 [0,2,0,0,0,0|0,0,0]=2 767 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Br)F LN00216149 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.893 CC1=CC=C(C(O)=O)C(N)=C1C AC180737 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.893 OC(=O)C1=C(Br)C(F)=C(F)C=C1 AC512145 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.893 OC1=CC=C(C(F)=C1F)[N+]([O-])=O AC160120 [0,2,0,0,0,0|1,0,1]=4 771 B12R1.1005 C1=C(C=C(C(=C1F)F)F)C(=O)O LN00008657 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.1005 C1=C(C=C(C(=C1F)O)F)C(=O)O LN01814976 [0,2,0,0,0,0|0,0,0]=2 773 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)F)F)F LN00116088 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.1005 CC1=C(Br)C=C(C=C1Br)C(N)=O AC021179 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.1005 CC1=C(C=C(C=C1N)C(=O)O)F LN01364337 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.1005 OC(=O)C1=CC(Cl)=C(Br)C(Cl)=C1 AC512137 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.1005 OC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1 AC180553 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.1005 OC(=O)C1=CC(F)=C(F)C(F)=C1 AC160107 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 AC510776 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 HY-Y0258 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HY-B0934 [0,2,0,0,0,0|0,0,0]=2 782 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AC180609 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AC180649 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HY-N0132A [0,2,0,0,0,0|1,0,1]=4 785 B12R1.16 ClC1=CC=C(C=C1)C(=O)CC#N AC021404 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.16 FC1=CC=C(C=C1)C(=O)CC#N AC020087 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 AC020117 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F LN00222667 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 AC511119 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1C AC182536 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Cl AC182567 [0,2,0,0,0,0|1,0,0]=3 792 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1F AC181941 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O AC511146 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.1703 COC(=O)C1=CC=C(F)C=C1N AC160360 [0,2,0,0,0,0|1,0,0]=3 795 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O AC181401 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.1703 COC(=O)C1=CC=C(N)C=C1C AC182296 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.1703 COC(=O)C1=CC=C(N)C=C1F AC511082 [0,2,0,0,0,0|1,0,0]=3 798 B12R1.1703 COC(=O)C1=CC=C(O)C=C1F AC511585 [0,2,0,0,0,0|0,0,0]=2 799 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl AC181855 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C AC051189 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C AC200060 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.1703 ClC1=CC=C(C(=O)CBr)C(Cl)=C1 AC190239 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.57 COC1=CC(Br)=CC=C1C(C)=O AC512144 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.57 COC1=CC(Cl)=NC=C1C(O)=O AC182561 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.57 COC1=CC(F)=CC=C1C(O)=O AC181080 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.57 COC1=CC(O)=CC=C1[N+]([O-])=O AC160285 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.57 NC1=CC=C(C([O-])=O)C(O[Na])=C1 HY-I0447A [0,2,0,0,0,0|1,0,1]=4 808 B12R1.57 OC1=CC(C=O)=C(C=C1)[N+]([O-])=O AC130017 [0,2,0,0,0,0|1,0,1]=4 809 B12R1.57 OCC1=C(C=CC(O)=C1)[N+]([O-])=O AC511970 [0,2,0,0,0,0|1,0,1]=4 810 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)Br)F LN01360961 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.1000 CC(=O)C1=C(F)C=C(Br)C=C1F AC512017 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.1000 CC1=C(C(O)=O)C(Cl)=NC(Cl)=C1 AC181513 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.1000 CC1=CC(C)=C(C(O)=O)C(C)=C1 AC511710 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.1000 NC1=CC(F)=CC(F)=C1C(O)=O AC181690 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.1000 OC(=O)C1=C(F)C=C(Br)C=C1F AC500129 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.1000 OC(=O)C1=C(F)C=C(F)C=C1F AC180458 [0,2,0,0,0,0|1,0,0]=3 817 B12R1.1000 OC(=O)C1=C(F)C=C(O)C=C1F AC181555 [0,2,0,0,0,0|0,0,0]=2 818 B12R2.606 BrC1=CC2=C(NC(=O)C2)C=C1 AC181015 [0,0,0,1,0,1|2,0,0]=4 819 B12R2.606 BrC1=CN=C2NC(=O)OC2=C1 AC182328 [0,0,0,1,0,1|2,0,0]=4 820 B12R2.606 C1=C2CC(=O)NC2=CC(=C1)Br LN00004134 [0,0,0,1,0,1|2,0,0]=4 821 B12R2.606 CC1=CC2=C(CC(=O)N2)C=C1 AC182292 [0,0,0,1,0,1|2,0,0]=4 822 B12R2.606 ClC1=CC2=C(CC(=O)N2)C=C1 AC510839 [0,0,0,1,0,1|2,0,0]=4 823 B12R2.606 ClC1=CC=C2OC(=O)NC2=C1 HY-B1462 [0,0,0,1,0,1|2,0,0]=4 824 B12R2.606 FC1=CC=C2NC(=O)CC2=C1 AC181437 [0,0,0,1,0,1|2,0,0]=4 825 B12R2.606 IC1=CC=C2NC(=O)CC2=C1 AC021254 [0,0,0,1,0,1|2,0,0]=4 826 B12R2.606 NC1=CC2=C(NC(=O)N2)C=C1 AC512167 [0,0,0,1,0,1|2,0,0]=4 827 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 AC182317 [0,0,0,1,0,1|2,0,0]=4 828 B12R2.606 OC1=CC2=C(NC(=O)C2)C=C1 AC160398 [0,0,0,1,0,1|1,0,0]=3 829 B12R2.606 OC1=CC=C2N=C(S)SC2=C1 AC270046 [0,0,0,1,0,1|0,2,0]=4 830 B12R2.606 OC1=CC=C2OC(=O)SC2=C1 AC250041 [0,0,0,1,0,1|0,1,0]=3 831 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 HY-B0483 [0,0,0,1,0,1|0,0,0]=2 832 B12R2.612 BrC1=CC2=C(C=C1)C(=O)CC2 AC500011 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.612 BrC1=CC2=C(C=C1)C(=O)NC2 AC182430 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.612 BrC1=CC=C2C(=O)OCC2=C1 AC510912 [0,1,0,1,0,0|1,0,0]=3 835 B12R2.612 C1=CC2=C(C=C1N)NN=C2O LN01377208 [0,1,0,1,0,0|2,0,0]=4 836 B12R2.612 C1CC(=O)C2=CC=C(C=C12)F LN00116021 [0,1,0,1,0,0|2,0,0]=4 837 B12R2.612 C1CC(=O)C2=CC=C(C=C12)N LN00213518 [0,1,0,1,0,0|2,0,0]=4 838 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 AC220151 [0,1,0,1,0,0|2,0,0]=4 839 B12R2.612 ClC1=CC2=C(C=C1)C(=O)CC2 AC220152 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 AC182562 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 AC182749 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.612 OC1=CC=C2C(=O)COC2=C1 AC080307 [0,1,0,1,0,0|0,0,0]=2 843 B8R1.1 BrC1=CC=C(O1)C=O AC500242 [1,0,0,0,1,0|2,0,0]=4 844 B8R1.1 BrC1=COC(C=O)=C1 AC020788 [1,0,0,0,1,0|2,0,0]=4 845 B8R1.1 BrC1=CSC(C=O)=C1 AC511201 [1,0,0,0,1,0|2,0,0]=4 846 B8R1.1 C1=C(C=O)OC(=C1)Br LN00131779 [1,0,0,0,1,0|2,0,0]=4 847 B8R1.1 C1=C(C=O)SC(=C1)Br LN00009990 [1,0,0,0,1,0|2,0,0]=4 848 B8R1.1 CC1=CC=C(S1)C=O AC511283 [1,0,0,0,1,0|2,0,0]=4 849 B8R1.1 ClC1=CC=C(S1)C=O AC180483 [1,0,0,0,1,0|2,0,0]=4 850 B8R1.1 IC1=CNC(C=O)=C1 AC070002 [1,0,0,0,1,0|2,0,0]=4 851 B8R1.7 C1=C(C(=O)O)SN=C1 LN01368400 [1,0,0,0,1,0|2,0,0]=4 852 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [1,0,0,0,1,0|2,0,0]=4 853 B8R1.7 CC(=O)C1=CSC=C1 AC500077 [1,0,0,0,1,0|2,0,0]=4 854 B8R1.7 ClC(=O)C1=CC=CN1 AC180091 [1,0,0,0,1,0|2,0,0]=4 855 B8R1.7 OC(=O)C1=CC=CO1 AC510992 [1,0,0,0,1,0|1,0,0]=3 856 B8R1.7 OC(=O)C1=CC=NO1 AC050948 [1,0,0,0,1,0|2,0,0]=4 857 B8R1.7 OC(=O)C1=CN=CO1 AC500181 [1,0,0,0,1,0|2,0,0]=4 858 B8R1.7 OC(=O)C1=CN=CS1 AC181678 [1,0,0,0,1,0|2,0,0]=4 859 B8R1.7 OC(=O)C1=CNC=C1 AC181119 [1,0,0,0,1,0|1,0,0]=3 860 B8R1.7 OC(=O)C1=CNC=N1 AC511460 [1,0,0,0,1,0|2,0,0]=4 861 B8R1.7 OC(=O)C1=CNN=C1 AC180266 [1,0,0,0,1,0|2,0,0]=4 862 B8R1.7 OC(=O)C1=COC=N1 AC510698 [1,0,0,0,1,0|2,0,0]=4 863 B8R1.7 OC(=O)C1=CSC=C1 AC310080 [1,0,0,0,1,0|1,0,0]=3 864 B8R1.7 OC(=O)C1=CSC=N1 AC360006 [1,0,0,0,1,0|2,0,0]=4 865 B8R1.7 OC(=O)C1=NC=CN1 AC180986 [1,0,0,0,1,0|2,0,0]=4 866 B8R1.7 OC(=O)C1=NC=CS1 AC510654 [1,0,0,0,1,0|2,0,0]=4 867 B8R1.7 OC(=O)C1=NNC=C1 AC180630 [1,0,0,0,1,0|2,0,0]=4 868 B8R1.7 [O-]C(=O)C1=CC=CS1 AC030126 [1,0,0,0,1,0|1,0,1]=4 869 B10R1.18 C1=C(C=CN=C1)CC(=O)O LN00224216 [1,0,0,0,0,1|1,0,0]=3 870 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [1,0,0,0,0,1|1,0,0]=3 871 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [1,0,0,0,0,1|2,0,0]=4 872 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [1,0,0,0,0,1|2,0,0]=4 873 B10R1.18 ClC(=S)OC1=CC=CC=C1 AC500117 [1,0,0,0,0,1|1,1,0]=4 874 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [1,0,0,0,0,1|1,0,0]=3 875 B10R1.18 OC(=O)CC1=CC=CN=C1 AC290044 [1,0,0,0,0,1|1,0,0]=3 876 B10R1.18 OC(=O)CC1=CC=NC=C1 AC180287 [1,0,0,0,0,1|1,0,0]=3 877 B12R1.21 C1=C(C=CC(=C1)Cl)CCC(=O)O LN00010471 [0,0,0,0,0,2|1,0,0]=3 878 B12R1.21 CC1=CC=C(C=C1)C#CC(O)=O AC030171 [0,0,0,0,0,2|1,0,0]=3 879 B12R1.21 OC(=O)/C=C/C1=NC=C(F)C=C1 AC010004 [0,0,0,0,0,2|2,0,0]=4 880 B12R1.21 OC(=O)CCC1=CC=C(Br)C=C1 AC511544 [0,0,0,0,0,2|1,0,0]=3 881 B12R1.21 OC(=O)CCC1=CC=C(Cl)C=C1 AC510686 [0,0,0,0,0,2|1,0,0]=3