0 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 001068 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 008026 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 008862 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 079474 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 023117 [0,0,0,0,0,0|0,1,0]=1 5 B11R1.19 CC(C)(O)C1=CC=C(F)C=C1 006339 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 241245 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 009277 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 001316 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.19 CC1=CC=C([Si](C)(C)C)C=C1 S16675 [0,0,0,0,0,0|1,1,0]=2 10 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 003695 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 001765 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 032697 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 023361 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.19 ClC1=CC=C(C(Cl)(Cl)Cl)C=C1 216548 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.19 FC(F)(F)C1=CC=C(Br)C=C1 002195 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.19 FC(F)(F)C1=CC=C(Cl)C=C1 003148 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.19 FC(F)(F)C1=CC=C(I)C=C1 001196 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.19 FC(F)(F)C1=CC=C(S)C=C1 002622 [0,0,0,0,0,0|3,1,0]=4 19 B11R1.19 FC1=CC=C(C(Cl)(Cl)Cl)C=C1 006194 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.19 FC1=CC=C(C(F)(F)F)C=C1 002238 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 001401 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 013906 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.19 NS(=O)(=O)C1=CC=C(O)C=C1 146100 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.19 O=S(=O)(O)C1=CC=C(O)C=C1 403274 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 243067 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 464551 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.19 O=S(=O)([O-])c1ccc(O)cc1 099419 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.19 OC1=NC=C(C(F)(F)F)C=C1 006630 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.13 C=C(C)C1=CC=C(F)C=C1 002236 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.13 C=C(C)C1=CC=C(O)C=C1 242991 [1,0,0,0,0,0|0,0,2]=3 31 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 002964 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.13 CC(=O)C1=CC=C(C)C=C1 075950 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 003111 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.13 CC(=O)C1=CC=C(F)C=C1 001621 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.13 CC(=O)C1=CC=C(I)C=C1 003065 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.13 CC(=O)C1=CC=C(I)C=C1 147401 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.13 CC(=O)C1=CC=C(N)C=C1 009865 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.13 CC(=O)C1=CC=C(O)C=C1 097596 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.13 CC(=O)C1=NC=C(O)C=C1 242217 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.13 CC(C)C1=CC=C(Br)C=C1 005332 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.13 CC(C)C1=CC=C(I)C=C1 037613 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.13 CC(C)C1=CC=C(N)C=C1 044718 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.13 CC(C)C1=CC=C(N)C=N1 064855 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.13 CC(C)C1=CC=C(O)C=C1 224632 [1,0,0,0,0,0|0,0,0]=1 45 B10R1.13 CC(C)C1=CC=C(S)C=C1 350400 [1,0,0,0,0,0|0,1,0]=2 46 B10R1.13 CC(C)C1=CN=C(N)C=C1 091535 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.13 CC(N)C1=CC=C(Br)C=C1 001101 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 065422 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.13 CC(O)C1=CC=C(Br)C=C1 001129 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 002971 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.13 CC(O)C1=CC=C(F)C=C1 001295 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.13 CC1=CC=C(C(C)C)C=C1 048590 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.13 CC1=CC=C(C(C)C)CC1 099689 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.13 CC1=CC=C(C(C)N)C=C1 075281 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.13 CC1=CC=C(C(C)O)C=C1 494146 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.13 CC1=CC=C(C(C)O)C=N1 024704 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.13 CC1=CC=C(N(C)C)C=C1 013933 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 CC1=CN=C(N(C)C)C=C1 024710 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.13 CN(C)C1=CC=C(Br)C=C1 001369 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 CN(C)C1=CC=C(F)C=C1 008560 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.13 CN(C)C1=CC=C(N)C=C1 215686 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 CN(C)C1=CC=C(N)C=C1 463347 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 CN(C)C1=CC=C(O)C=C1 223309 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.13 CN(C)C1=CC=C(S)C=C1 023125 [1,0,0,0,0,0|1,1,0]=3 65 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 342182 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 050269 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.13 FC(F)C1=CC=C(Br)C=C1 023880 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 050225 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.13 FC1=CC=C(C(F)F)C=C1 024452 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.13 N=C(N)C1=CC=C(O)C=C1 023564 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.13 NC(=O)C1=CC=C(O)C=C1 002826 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 NC(=S)C1=CC=C(O)C=C1 021328 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.13 NC(=S)C1=CC=C(O)C=C1 097900 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.13 O=C(O)C1=CC=C(O)C=C1 094430 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 097791 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.13 OB(O)C1=CC=C(O)C=C1 078611 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.28 CC(C)(C)C1=CC=CC=C1 094532 [1,0,0,0,0,0|0,0,0]=1 78 B10R1.28 CC(C)(C)C1=CC=NC=C1 024692 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.28 CC(C)(Cl)C1=CC=CC=C1 033938 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.28 CC(C)(N)C1=CC=CC=C1 005015 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.28 CC(C)(O)C1=CC=CC=C1 493347 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.28 CC(C)(O)C1=CC=NC=C1 218299 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 001313 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 079257 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 222395 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 S13375 [1,0,0,0,0,0|1,1,0]=3 87 B10R1.28 ClC(Cl)(Cl)C1=CC=CC=C1 242868 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.28 FC(F)(F)C1=CC=CC=C1 004060 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.6 C#CC1=CC=C(C(C)(C)C)C=C1 009071 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 018336 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 065159 [0,1,0,0,0,0|0,0,1]=2 92 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 024236 [0,1,0,0,0,0|1,0,0]=2 93 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 209897 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 008874 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.6 CC(C)(C)C1=CC=C(CO)C=C1 008827 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.6 CC(C)(C)C1=CC=C(CS)C=C1 018337 [0,1,0,0,0,0|0,1,0]=2 97 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 226271 [0,1,0,0,0,0|0,0,0]=1 98 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 013386 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 019363 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.6 CS(=O)(=O)C1=CC=C(CO)C=C1 038251 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 002182 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 068275 [0,1,0,0,0,0|1,0,1]=3 103 B12R1.23 CC(C)(C)C1=CC(Br)=C(Br)C=C1 035664 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.23 CC(C)(C)C1=CC(Br)=C(Cl)C=C1 035663 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.23 CC(C)(C)C1=CC(Br)=C(I)C=C1 035665 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.23 CC(C)(C)C1=CC(Br)=C(O)C=C1 043681 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.23 CC(C)(C)C1=CC=C(N)C(Br)=C1 023849 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.23 CC(C)(C)C1=CC=C(N)C(N)=C1 017188 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.23 CC(C)(C)C1=CC=C(O)C(N)=C1 225403 [0,1,0,0,0,0|0,0,0]=1 110 B12R1.23 CC(C)(C)C1=CC=C(O)C(O)=C1 209430 [0,1,0,0,0,0|0,0,0]=1 111 B12R1.23 CC(F)(F)C1=CC(Br)=C(F)C=C1 038368 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.23 OC1=C(Br)C=C(C(F)(F)F)C=C1 023859 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.23 OC1=C(Cl)C=C(C(F)(F)F)C=C1 004473 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.126 CC(F)(F)C1=C(Br)C=C(F)C=C1 038367 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.126 CC(F)(F)C1=C(Cl)C=C(Cl)C=C1 101903 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.126 CC1=CC=C(C(C)(C)C)C(O)=C1 224474 [0,1,0,0,0,0|1,0,0]=2 117 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 210797 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 209071 [0,0,0,1,0,0|2,0,0]=3 119 B10R1.55 CC(C)(C)C1=CC(N)=NO1 018173 [0,0,0,0,1,0|3,0,0]=4 120 B10R1.55 CC(C)(C)C1=CSC(S)=N1 009922 [0,0,0,0,1,0|2,1,0]=4 121 B10R1.55 CC(C)(C)C1=NNC(N)=C1 021510 [0,0,0,0,1,0|3,0,0]=4 122 B10R1.55 CC(C)(C)C1=NOC(N)=C1 042354 [0,0,0,0,1,0|3,0,0]=4 123 B10R1.55 CC1=NC(C(C)(C)C)=CS1 017137 [0,0,0,0,1,0|3,0,0]=4 124 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 401634 [0,0,0,0,0,1|1,0,0]=2 125 B12R1.106 CC(C)(C)OC1=CC=C(N)C=C1 209401 [0,0,0,0,0,1|1,0,0]=2 126 B12R1.106 CC(C)(C)OC1=CC=C(O)C=C1 013127 [0,0,0,0,0,1|0,0,0]=1 127 B12R1.106 OC1=CC=C(OC(F)(F)F)C=C1 001424 [0,0,0,0,0,1|3,0,0]=4 128 B12R1.106 OC1=CC=C(SC(F)(F)F)C=C1 008719 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.1 BrCC1=CC=C(Br)C=C1 001368 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.1 BrCC1=CC=C(I)C=C1 018740 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.1 C=CC1=CC=C(O)C=C1 240601 [2,0,0,0,0,0|0,0,2]=4 132 B9R1.1 CC1=CC=C(CBr)C=C1 227793 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.1 CC1=CC=C(CCl)C=C1 088360 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.1 CC1=CC=C(CN)C=C1 078842 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.1 CC1=CC=C(CO)C=C1 216000 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.1 CCC1=CC=C(Br)C=C1 001119 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.1 CCC1=CC=C(C)C=C1 235264 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.1 CCC1=CC=C(Cl)C=C1 001266 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.1 CCC1=CC=C(F)C=C1 018681 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.1 CCC1=CC=C(I)C=C1 006113 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.1 CCC1=CC=C(N)C=C1 099641 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.1 CCC1=CC=C(O)C=C1 241020 [2,0,0,0,0,0|0,0,0]=2 143 B9R1.1 CCC1=CC=[N+]([O-])C=C1 180055 [2,0,0,0,0,0|1,0,1]=4 144 B9R1.1 CCC1=CN=C(C)C=C1 222089 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.1 CCC1=NC=C(Br)C=C1 077907 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.1 CNC1=CC=C(Br)C=C1 009647 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.1 CNC1=CC=C(C)C=C1 009655 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.1 CNC1=CC=C(Cl)C=C1 009650 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.1 CNC1=CC=C(F)C=C1 009651 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.1 CNC1=CC=C(O)C=C1 102940 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.1 COC1=CC=C(Br)C=C1 BR1023 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.1 COC1=CC=C(C)C=C1 239388 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.1 COC1=CC=C(Cl)C=C1 080276 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.1 COC1=CC=C(F)C=C1 001698 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.1 COC1=CC=C(I)C=C1 001304 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.1 COC1=CC=C(N)C=C1 043321 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.1 COC1=CC=C(O)C=C1 078679 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.1 COC1=CC=C(S)C=C1 001774 [2,0,0,0,0,0|1,1,0]=4 159 B9R1.1 COC1=NC=C(O)C=C1 076684 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 CSC1=CC=C(Br)C=C1 003696 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.1 CSC1=CC=C(C)C=C1 001781 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.1 CSC1=CC=C(Cl)C=C1 002972 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.1 CSC1=CC=C(F)C=C1 003730 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.1 CSC1=CC=C(I)C=C1 008044 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.1 CSC1=CC=C(N)C=C1 003091 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.1 CSC1=CC=C(N)C=C1 104919 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.1 CSC1=CC=C(O)C=C1 003883 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.1 ClC1=CC=C(CBr)C=C1 118700 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.1 ClCC1=CC=C(Br)C=C1 002483 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 ClCC1=CC=C(Cl)C=C1 079221 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 FC1=CC=C(CBr)C=C1 002963 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 FC1=CC=C(CCl)C=C1 006201 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 FC1=CC=C(CS)C=C1 006206 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 N#CC1=CC=C(O)C=C1 003632 [2,0,0,0,0,0|1,0,1]=4 175 B9R1.1 NC1=CC=C(CO)C=C1 092096 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 NCC1=CC=C(Br)C=C1 042893 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 NCC1=CC=C(Cl)C=C1 092218 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.1 NCC1=CC=C(F)C=C1 006199 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.1 NCC1=CC=C(O)C=C1 023452 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.1 NCC1=CC=C(O)C=C1 047973 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.1 O=CC1=CC=C(O)C=C1 BR1235 [2,0,0,0,0,0|1,0,1]=4 182 B9R1.1 OCC1=CC=C(Br)C=C1 008822 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 OCC1=CC=C(Cl)C=C1 008823 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 OCC1=CC=C(F)C=C1 001624 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 OCC1=CC=C(I)C=C1 093387 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 OCC1=CC=C(O)C=C1 078884 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.1 SCC1=CC=C(Br)C=C1 024343 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 SCC1=CC=C(Cl)C=C1 545320 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.6 BrC(Br)C1=CC=CC=C1 243023 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.6 C=C(C)C1=CC=CC=C1 245708 [2,0,0,0,0,0|0,0,2]=4 191 B9R1.6 CC(=O)C1=CC=CC=C1 043319 [2,0,0,0,0,0|1,0,1]=4 192 B9R1.6 CC(Br)C1=CC=CC=C1 001003 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.6 CC(C)C1=CC=CC=C1 094649 [2,0,0,0,0,0|0,0,0]=2 194 B9R1.6 CC(C)C1=CC=NC=C1 024693 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.6 CC(C)C1=NC=CC=C1 078691 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.6 CC(N)C1=CC=CC=C1 208695 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.6 CC(N)C1=CC=NC=C1 030534 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.6 CC(N)C1=CC=NC=C1 097930 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.6 CC(N)C1=CN=CC=C1 030750 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.6 CC(N)C1=NC=CC=C1 060819 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.6 CC(O)C1=CC=CC=C1 098924 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.6 CC(O)C1=CC=CN=C1 094012 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.6 CC(O)C1=NC=CC=C1 088389 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.6 CN(C)C1=CC=CC=C1 098810 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.6 CN(C)C1=CC=CN=C1 032574 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.6 CN(C)C1=CC=NC=C1 001704 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.6 CN(C)C1=CC=NC=C1 133700 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.6 CN(C)C1=NC=CC=C1 219108 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.6 CS(=O)C1=CC=CC=C1 180124 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.6 C[C@@H](N)C1=CC=CC=C1 037431 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.6 C[C@@H](N)C1=NC=CC=C1 078110 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.6 C[C@@H](O)C1=CC=CC=C1 222634 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.6 C[C@H](N)C1=CC=CC=C1 037432 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.6 C[SiH](C)C1=CC=CC=C1 S13425 [2,0,0,0,0,0|0,1,0]=3 215 B9R1.6 C[SiH](Cl)C1=CC=CC=C1 S13525 [2,0,0,0,0,0|1,1,0]=4 216 B9R1.6 FC(F)C1=CC=CC=C1 035819 [2,0,0,0,0,0|2,0,0]=4 217 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 040138 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 225406 [1,1,0,0,0,0|0,0,1]=3 219 B11R1.3 CC(C)C1=CC=C(CBr)C=C1 224006 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 002476 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.3 CC(C)C1=CC=C(CN)C=C1 060239 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.3 CC(C)C1=CC=C(CO)C=C1 449201 [1,1,0,0,0,0|0,0,0]=2 223 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 075129 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 093419 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 104102 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 105997 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.3 CN(C)C1=CC=C(CN)C=C1 023603 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.3 CN(C)C1=CC=C(CN)C=C1 092985 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.3 COC1=CC=C(C(C)=O)C=C1 043293 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.3 COC1=CC=C(C(C)C)C=C1 225759 [1,1,0,0,0,0|0,0,0]=2 231 B11R1.3 COC1=CC=C(C(C)N)C=C1 030158 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.3 COC1=CC=C(C(C)O)C=C1 002977 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.3 COC1=CC=C(N(C)C)C=C1 330113 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 042889 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 210022 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 040169 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 024848 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 013006 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.21 CC(=O)C1=CC=C(O)C(O)=C1 002544 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.21 CC(C)C1=CC=C(N)C(Br)=C1 018287 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.21 CC(N)C1=CC=C(F)C(F)=C1 013306 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.21 CC(O)C1=CC(Br)=C(F)C=C1 237650 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.21 CC(O)C1=CC(F)=C(Cl)C=C1 033039 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.21 CC1=CC=C(C(C)C)C=C1O 226523 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 215518 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 078553 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.22 CCC(C)C1=CC=C(O)C=C1 098816 [1,1,0,0,0,0|0,0,0]=2 248 B11R1.22 COC(=O)C1=CC=C(O)C=C1 209090 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.22 NCC(O)C1=CC=C(O)C=C1 375146 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 221680 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.22 O=C(CF)C1=CC=C(O)C=C1 009465 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 009204 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br 210897 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.166 CC(=O)C1=CC=C(O)C=C1O 209091 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.166 CC(N)C1=CC=C(F)C=C1F 080255 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.166 CC(O)C1=C(Cl)C=C(F)C=C1 013804 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.166 CC(O)C1=C(F)C=C(Cl)C=C1 033065 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.166 CC(O)C1=C(F)C=C(F)C=C1 103224 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 227085 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 008691 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.7 CCC(C)(C)C1=CC=CC=C1 226678 [1,1,0,0,0,0|0,0,0]=2 262 B11R1.7 C[Si](C)(CCl)C1=CC=CC=C1 S04050 [1,1,0,0,0,0|0,1,0]=3 263 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 034191 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.87 CC(C)(C)C1=CC=CC=C1N 036383 [1,1,0,0,0,0|0,0,0]=2 265 B11R1.87 CC(C)(C)C1=CC=CC=C1O 234992 [1,1,0,0,0,0|0,0,0]=2 266 B11R1.87 CC(C)(O)C1=C(Br)C=CC=C1 036136 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.87 CC(F)(F)C1=C(Br)C=CC=C1 035833 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.87 CC(F)(F)C1=C(Cl)C=CC=C1 101869 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.155 CC(C)(C)C1=CC(Br)=CC=C1 023850 [1,1,0,0,0,0|0,0,0]=2 270 B11R1.155 CC(C)(C)C1=CC(N)=CC=C1 017189 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.155 CC(C)(C)C1=CC(O)=CC=C1 092651 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.155 CC(C)(C)C1=CC=CC(I)=C1 023858 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.155 CC(F)(F)C1=CC(N)=CC=C1 402263 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.155 CC(F)(F)C1=CC=CC(Br)=C1 036172 [1,1,0,0,0,0|2,0,0]=4 275 B13R1.4 CC(C)(C)OC1=CC=C(CO)C=C1 237648 [0,1,0,0,0,1|0,0,0]=2 276 B13R1.38 COC1=CC=C(C(C)(C)C)C=C1N 106286 [0,2,0,0,0,0|0,0,0]=2 277 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 078846 [0,2,0,0,0,0|1,0,0]=3 278 B13R1.140 CC(C)(C)C1=CC=C(CCN)C=C1 008887 [0,2,0,0,0,0|1,0,0]=3 279 B13R1.140 CC(C)(C)C1=CC=C(CCO)C=C1 022224 [0,2,0,0,0,0|0,0,0]=2 280 B13R1.140 CC(C)(C)C1=CC=C(N=C=O)C=C1 046918 [0,2,0,0,0,0|0,0,1]=3 281 B13R1.140 CC(C)(C)C1=CC=C(N=C=S)C=C1 008756 [0,2,0,0,0,0|0,1,0]=3 282 B13R1.140 CNCC1=CC=C(C(C)(C)C)C=C1 345945 [0,2,0,0,0,0|1,0,0]=3 283 B13R1.187 COC1=CC=C(C(C)(C)C#N)C=C1 068004 [0,2,0,0,0,0|0,0,1]=3 284 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 002522 [0,2,0,0,0,0|0,0,1]=3 285 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 010982 [0,2,0,0,0,0|0,0,0]=2 286 B13R1.338 CC(C)(C)C1=CC=C(C(=O)Cl)C=C1 095821 [0,2,0,0,0,0|0,0,1]=3 287 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 078571 [0,2,0,0,0,0|0,0,0]=2 288 B13R1.338 CC(C)(C)C1=CC=C(C(N)=O)C=C1 068343 [0,2,0,0,0,0|0,0,1]=3 289 B13R1.338 CC(C)(C)C1=CC=C([N+](=O)[O-])C=C1 330007 [0,2,0,0,0,0|0,0,1]=3 290 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 030474 [0,2,0,0,0,0|1,0,0]=3 291 B13R1.338 C[Si](C)(C)C1=CC=C(B(O)O)C=C1 S20001 [0,2,0,0,0,0|0,1,0]=3 292 B13R1.522 CC(C)(C(=O)O)C1=CC=C(Cl)C=C1 353886 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.50 CC(C)(C)C1=CC(C=O)=C(O)C=C1 031709 [0,2,0,0,0,0|0,0,0]=2 294 B13R1.7922 CC(C)(C)C1=CC(Br)=C(I)C(Br)=C1 035666 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.7922 CC(C)(C)C1=CC(Br)=C(N)C(Br)=C1 023856 [0,2,0,0,0,0|1,0,0]=3 296 B13R1.7922 CC1=CC(C(C)(C)C)=CC(C)=C1S 106625 [0,2,0,0,0,0|0,1,0]=3 297 B13R2.102 N#CC1(C2=CC=C(Br)C=C2)CC1 044536 [0,1,0,1,0,0|1,0,1]=4 298 B13R2.102 N#CC1(C2=CC=C(Cl)C=C2)CC1 042912 [0,1,0,1,0,0|1,0,1]=4 299 B13R2.102 N#CC1(C2=CC=C(F)C=C2)CC1 331022 [0,1,0,1,0,0|1,0,1]=4 300 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 079222 [1,0,0,0,0,1|1,0,1]=4 301 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 005037 [1,0,0,0,0,1|1,0,1]=4 302 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 043417 [1,0,0,0,0,1|1,0,0]=3 303 B11R1.20 CC(C)OC1=CC=C(N)C=C1 038449 [1,0,0,0,0,1|1,0,0]=3 304 B11R1.20 CC(C)OC1=CC=C(N)C=C1 150800 [1,0,0,0,0,1|1,0,0]=3 305 B11R1.20 CC(C)OC1=CC=C(S)C=C1 038455 [1,0,0,0,0,1|0,1,0]=3 306 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 094984 [1,0,0,0,0,1|1,0,0]=3 307 B11R1.20 CC1=CC=C(SC(C)C)C=C1 094759 [1,0,0,0,0,1|1,0,0]=3 308 B11R1.509 CC(C)(C)CC1=CC=CC=C1 242566 [1,0,0,0,0,1|0,0,0]=2 309 B11R1.509 CC(C)(C)OC1=CC=CC=N1 462501 [1,0,0,0,0,1|1,0,0]=3 310 B11R1.509 CC(C)(O)CC1=CC=CC=C1 461052 [1,0,0,0,0,1|1,0,0]=3 311 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 019289 [1,0,0,0,0,1|1,0,0]=3 312 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094171 [1,0,0,0,0,1|1,0,0]=3 313 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094988 [1,0,0,0,0,1|1,0,0]=3 314 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097679 [1,0,0,0,0,1|1,0,0]=3 315 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097803 [1,0,0,0,0,1|1,0,0]=3 316 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 235646 [1,0,0,0,0,1|1,0,0]=3 317 B11R1.509 C[Si](C)(C)NC1=CC=CC=C1 S19030 [1,0,0,0,0,1|0,1,0]=3 318 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 S00950 [1,0,0,0,0,1|1,1,0]=4