0 B10R1.1 CC1=CC=C(CC#N)C=C1 078705 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.1 CC1=CC=C(N=C=O)C=C1 099850 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.1 CC1=CC=C(N=C=S)C=C1 001282 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.1 CC1=CC=C(NC=O)C=C1 180098 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.1 CC1=CC=C(\C=N\O)C=C1 300271 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.1 CCOC1=CC=C(Br)C=C1 024186 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.1 CCOC1=CC=C(F)C=C1 006317 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.1 CCOC1=CC=C(I)C=C1 038701 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.1 CCOC1=CC=C(N)C=C1 230478 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.1 CCOC1=CC=C(O)C=C1 049967 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.1 CCOC1=NC=C(I)C=C1 363566 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.1 CCSC1=CC=C(Cl)C=C1 094917 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.1 CCSC1=CC=C(F)C=C1 094569 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.1 ClC1=CC=C(CCBr)C=C1 020895 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.1 FC1=CC=C(CCBr)C=C1 020897 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.1 FC1=CC=C(CCCl)C=C1 010403 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.1 FC1=CC=C(N=C=S)C=C1 001283 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.1 N#CCC1=CC=C(Br)C=C1 BR1112 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.1 N#CCC1=CC=C(Cl)C=C1 079011 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.1 N#CCC1=CC=C(F)C=C1 001189 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.1 N#CCC1=CC=C(I)C=C1 149501 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.1 N#CCC1=CC=C(O)C=C1 018726 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.1 N#CCC1=CN=C(Cl)C=C1 033117 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.1 N#CCC1=NC=C(Br)C=C1 077874 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.1 O=C=NC1=CC=C(Br)C=C1 046917 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 403156 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.1 O=C=NC1=CC=C(F)C=C1 002336 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.1 O=C=NC1=CC=C(I)C=C1 149800 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [0,0,0,0,0,0|1,0,0]=1 51 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 217622 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.1 O\N=C\C1=CC=C(F)C=C1 011169 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.1 S=C=NC1=CC=C(Br)C=C1 001275 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.1 S=C=NC1=CC=C(Cl)C=C1 008775 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.1 S=C=NC1=CC=C(I)C=C1 008984 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.1 [NH3+]OCC1=CC=C(F)C=C1 010009 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.1 BrCC1=CC=C(Br)C=C1 001368 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 BrCC1=CC=C(I)C=C1 018740 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 C#CC1=CC=C(Br)C=C1 040352 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.1 C#CC1=CC=C(C)C=C1 040031 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.1 C#CC1=CC=C(Cl)C=C1 040093 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.1 C#CC1=CC=C(F)C=C1 008808 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.1 C#CC1=CC=C(N)C=C1 045242 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.1 C(=O)C1=CC=C(Br)C=C1 005082 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.1 C(=O)C1=CC=C(F)C=C1 001460 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.1 C=CC1=CC=C(Br)C=C1 001138 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.1 C=CC1=CC=C(C)C=C1 236761 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.1 C=CC1=CC=C(Cl)C=C1 001267 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.1 C=CC1=CC=C(F)C=C1 001296 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.1 C=CC1=CC=C(N)C=C1 001223 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.1 C=CC1=CC=C(O)C=C1 240601 [1,0,0,0,0,0|0,0,2]=3 72 B9R1.1 CC1=CC=C(C#N)C=C1 035883 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.1 CC1=CC=C(C=O)C=C1 236923 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.1 CC1=CC=C(CBr)C=C1 227793 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.1 CC1=CC=C(CCl)C=C1 088360 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 CC1=CC=C(CN)C=C1 078842 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CC1=CC=C(CO)C=C1 216000 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.1 CC1=CC=C(NN)C=C1 043499 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 CC1=CC=C(NN)C=C1 043656 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 CCC1=CC=C(Br)C=C1 001119 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.1 CCC1=CC=C(C)C=C1 235264 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.1 CCC1=CC=C(Cl)C=C1 001266 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.1 CCC1=CC=C(F)C=C1 018681 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.1 CCC1=CC=C(I)C=C1 006113 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.1 CCC1=CC=C(N)C=C1 099641 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.1 CCC1=CC=C(O)C=C1 241020 [1,0,0,0,0,0|0,0,0]=1 87 B9R1.1 CCC1=CC=[N+]([O-])C=C1 180055 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.1 CCC1=CN=C(C)C=C1 222089 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.1 CCC1=CN=C(Cl)N=C1 045001 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 CCC1=NC=C(Br)C=C1 077907 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 CCC1=NC=C(C)N=C1 225679 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 CNC1=CC=C(Br)C=C1 009647 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 CNC1=CC=C(C)C=C1 009655 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 CNC1=CC=C(Cl)C=C1 009650 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 CNC1=CC=C(F)C=C1 009651 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 CNC1=CC=C(O)C=C1 102940 [1,0,0,0,0,0|1,0,0]=2 97 B9R1.1 CNC1=NC=C(Br)C=C1 078710 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 CNC1=NC=C(Cl)C=C1 075169 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 COC1=CC=C(Br)C=C1 BR1023 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 COC1=CC=C(C)C=C1 239388 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 COC1=CC=C(Cl)C=C1 080276 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 COC1=CC=C(F)C=C1 001698 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.1 COC1=CC=C(I)C=C1 001304 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 COC1=CC=C(N)C=C1 043321 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 COC1=CC=C(O)C=C1 078679 [1,0,0,0,0,0|1,0,0]=2 106 B9R1.1 COC1=CC=C(S)C=C1 001774 [1,0,0,0,0,0|1,1,0]=3 107 B9R1.1 COC1=CC=[N+]([O-])C=C1 102569 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.1 COC1=CN=C(Br)C=C1 076484 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 COC1=CN=C(N)C=C1 036797 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 COC1=NC=C(Br)C=C1 023910 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 COC1=NC=C(Cl)C=C1 035854 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 COC1=NC=C(F)C=C1 033260 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 COC1=NC=C(N)C=C1 024176 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 COC1=NC=C(O)C=C1 076684 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.1 CSC1=CC=C(Br)C=C1 003696 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.1 CSC1=CC=C(C)C=C1 001781 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.1 CSC1=CC=C(Cl)C=C1 002972 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 CSC1=CC=C(F)C=C1 003730 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 CSC1=CC=C(I)C=C1 008044 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.1 CSC1=CC=C(N)C=C1 003091 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 CSC1=CC=C(N)C=C1 104919 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 CSC1=CC=C(O)C=C1 003883 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.1 ClC1=CC=C(CBr)C=C1 118700 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 102566 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 ClCC1=CC=C(Br)C=C1 002483 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 ClCC1=CC=C(Cl)C=C1 079221 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 ClCC1=CN=C(Cl)C=C1 019460 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 FC1=CC=C(CBr)C=C1 002963 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 FC1=CC=C(CCl)C=C1 006201 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.1 FC1=CC=C(CS)C=C1 006206 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.1 N#CC1=CC=C(Br)C=C1 002988 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.1 N#CC1=CC=C(Cl)C=C1 035205 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.1 N#CC1=CC=C(F)C=C1 002237 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.1 N#CC1=CC=C(I)C=C1 147902 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.1 N#CC1=CC=C(N)C=C1 024179 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.1 N#CC1=CC=C(O)C=C1 003632 [1,0,0,0,0,0|1,0,1]=3 137 B9R1.1 NC1=CC=C(CO)C=C1 092096 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.1 NC1=CC=C(CO)C=N1 077326 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 NC1=CC=C(CO)C=N1 104746 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 NCC1=CC=C(Br)C=C1 042893 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 NCC1=CC=C(Cl)C=C1 092218 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.1 NCC1=CC=C(F)C=C1 006199 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.1 NCC1=CC=C(O)C=C1 023452 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.1 NCC1=CC=C(O)C=C1 047973 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.1 NCC1=CN=C(Cl)C=C1 065444 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 NNC1=CC=C(Br)C=C1 024571 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 NNC1=CC=C(Br)C=C1 224144 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 NNC1=CC=C(Cl)C=C1 008962 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 NNC1=CC=C(Cl)C=C1 012720 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 NNC1=CC=C(F)C=C1 001712 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 NNC1=CC=C(F)C=C1 043658 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 O=CC1=CC=C(Cl)C=C1 216307 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.1 O=CC1=CC=C(I)C=C1 043849 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.1 O=CC1=CC=C(O)C=C1 BR1235 [1,0,0,0,0,0|1,0,1]=3 155 B9R1.1 OCC1=CC=C(Br)C=C1 008822 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.1 OCC1=CC=C(Cl)C=C1 008823 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.1 OCC1=CC=C(F)C=C1 001624 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.1 OCC1=CC=C(I)C=C1 093387 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.1 OCC1=CC=C(O)C=C1 078884 [1,0,0,0,0,0|1,0,0]=2 160 B9R1.1 OCC1=CN=C(Cl)C=C1 067692 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.1 OCC1=NC=C(Br)C=C1 036351 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.1 SCC1=CC=C(Br)C=C1 024343 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 SCC1=CC=C(Cl)C=C1 545320 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.8 BrCCC1=CC=CC=C1 019261 [1,0,0,0,0,0|1,0,0]=2 165 B9R1.8 Br\C=C\C1=CC=CC=C1 049835 [1,0,0,0,0,0|1,0,2]=4 166 B9R1.8 C#CCC1=CC=CC=C1 080054 [1,0,0,0,0,0|0,0,2]=3 167 B9R1.8 C=CCC1=CC=CC=C1 005425 [1,0,0,0,0,0|0,0,2]=3 168 B9R1.8 C=CC[N+]1=CC=CC=C1 181022 [1,0,0,0,0,0|1,0,2]=4 169 B9R1.8 C=CSC1=CC=CC=C1 008052 [1,0,0,0,0,0|1,0,2]=4 170 B9R1.8 CC#CC1=CC=CC=C1 166000 [1,0,0,0,0,0|0,0,2]=3 171 B9R1.8 CCCC1=CC=CC=C1 095067 [1,0,0,0,0,0|0,0,0]=1 172 B9R1.8 CCCC1=CC=NC=C1 235894 [1,0,0,0,0,0|1,0,0]=2 173 B9R1.8 CCCC1=NC=CC=C1 242850 [1,0,0,0,0,0|1,0,0]=2 174 B9R1.8 CCCC1=NC=CN=C1 002735 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.8 CCNC1=CC=CC=C1 216665 [1,0,0,0,0,0|1,0,0]=2 176 B9R1.8 CCOC1=CC=CC=C1 098890 [1,0,0,0,0,0|1,0,0]=2 177 B9R1.8 CCOC1=NC=CC=C1 049694 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.8 CCSC1=CC=CC=C1 001759 [1,0,0,0,0,0|1,0,0]=2 179 B9R1.8 CCSC1=NC=CC=C1 095363 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.8 CNCC1=CC=CC=C1 020695 [1,0,0,0,0,0|1,0,0]=2 181 B9R1.8 CNCC1=CC=NC=C1 046176 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.8 CSCC1=CC=CC=C1 099640 [1,0,0,0,0,0|1,0,0]=2 183 B9R1.8 C\C=C/C1=CC=CC=C1 167700 [1,0,0,0,0,0|0,0,2]=3 184 B9R1.8 C\C=C\C1=CC=CC=C1 018868 [1,0,0,0,0,0|0,0,2]=3 185 B9R1.8 C\N=C\C1=CC=CC=C1 240625 [1,0,0,0,0,0|1,0,1]=3 186 B9R1.8 ClCCC1=CC=CC=C1 208883 [1,0,0,0,0,0|1,0,0]=2 187 B9R1.8 ClCCC1=CC=CC=N1 070463 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.8 Cl[Mg]CC1=CC=CC=C1 103558 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.8 ICCC1=CC=CC=C1 001087 [1,0,0,0,0,0|1,0,0]=2 190 B9R1.8 N#CCC1=NC=CC=C1 047908 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.8 N#C[Se]C1=CC=CC=C1 005429 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.8 NCCC1=CC=CC=C1 046873 [1,0,0,0,0,0|1,0,0]=2 193 B9R1.8 NCCC1=CC=CN=C1 010689 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.8 NCCC1=CC=CN=C1 033239 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.8 NCCC1=CC=CN=C1 065473 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.8 NCCC1=CC=NC=C1 010690 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.8 NCCC1=NC=CC=C1 013702 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.8 NNCC1=CC=CC=C1 036859 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.8 NOCC1=CC=CC=C1 036957 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.8 O=C=NC1=CC=CC=C1 165700 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.8 O=CCC1=CC=CC=C1 098878 [1,0,0,0,0,0|1,0,1]=3 202 B9R1.8 O=CNC1=CC=CC=C1 239406 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.8 O=S=NC1=CC=CC=C1 341767 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.8 OCCC1=CC=CC=C1 222397 [1,0,0,0,0,0|1,0,0]=2 205 B9R1.8 OCCC1=CC=CN=C1 017523 [1,0,0,0,0,0|2,0,0]=3 206 B9R1.8 OCCC1=CC=NC=C1 228335 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.8 OCCC1=NC=CC=C1 223718 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.8 ONCC1=CC=CC=C1 091512 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.8 ONCC1=CC=CC=C1 238633 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.8 S=C=NC1=CC=CC=C1 358191 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.1 CC1=CC=C(CN=C=O)C=C1 013635 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.1 CC1=CC=C(CN=C=S)C=C1 009521 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.1 CC1=CC=C(SCC#N)C=C1 319571 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.1 CC1=CC=C(SCCO)C=C1 094955 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.1 CCCCC1=CC=C(Br)C=C1 002481 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.1 CCCCC1=CC=C(I)C=C1 241341 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.1 CCCCC1=CC=C(N)C=C1 037413 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.1 CCCCC1=CC=C(O)C=C1 358059 [0,1,0,0,0,0|0,0,0]=1 219 B11R1.1 CCCOC1=CC=C(Br)C=C1 080302 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.1 CCCOC1=CC=C(C)C=C1 097641 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.1 CCCOC1=CC=C(O)C=C1 225506 [0,1,0,0,0,0|0,0,0]=1 222 B11R1.1 CCCSC1=CC=C(C)C=C1 094774 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.1 FC1=CC=C(CN=C=S)C=C1 006204 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.1 N#CCCC1=CC=C(Br)C=C1 018025 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 018436 [0,1,0,0,0,0|1,0,1]=3 226 B11R1.1 N#CCCC1=CC=C(O)C=C1 018729 [0,1,0,0,0,0|0,0,1]=2 227 B11R1.1 N#CCOC1=CC=C(Br)C=C1 091211 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 033234 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.1 NCCOC1=CC=C(Cl)C=C1 038853 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.1 O=C=NCC1=CC=C(Cl)C=C1 520610 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.1 OCC#CC1=CC=C(Cl)C=C1 031740 [0,1,0,0,0,0|1,0,2]=4 232 B11R1.1 OCCCC1=CC=C(Br)C=C1 078163 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.1 OCCSC1=CC=C(F)C=C1 019281 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.1 S=C=NCC1=CC=C(Cl)C=C1 002529 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.20 C(F)(F)OC1=CC=C(Br)C=C1 004836 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.20 C(F)(F)OC1=CC=C(C)C=C1 004842 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.20 C(F)(F)OC1=CC=C(I)C=C1 004837 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.20 C(F)(F)OC1=CC=C(N)C=C1 004828 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 022868 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 002599 [0,1,0,0,0,0|1,0,1]=3 241 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 002534 [0,1,0,0,0,0|1,0,1]=3 242 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 009228 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 079222 [0,1,0,0,0,0|0,0,1]=2 244 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 154805 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 003844 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 224669 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 005037 [0,1,0,0,0,0|1,0,1]=3 248 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 358280 [0,1,0,0,0,0|1,1,1]=4 249 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 047898 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 003918 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.20 CC(=O)SC1=CC=C(Br)C=C1 103481 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 043417 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.20 CC(C)OC1=CC=C(N)C=C1 038449 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.20 CC(C)OC1=CC=C(N)C=C1 150800 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.20 CC(C)OC1=CC=C(S)C=C1 038455 [0,1,0,0,0,0|1,1,0]=3 256 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 094984 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 014710 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 001394 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.20 CC1=CC=C(CC(N)=O)C=C1 103194 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.20 CC1=CC=C(SC(C)C)C=C1 094759 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.20 FC(F)OC1=CC=C(Cl)C=C1 044085 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 229794 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 475850 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.20 NC(=O)CC1=CC=C(I)C=C1 103474 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 021352 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 018733 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 043462 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 014714 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 342030 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 009229 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 001227 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 046149 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 001294 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 038713 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 003630 [0,1,0,0,0,0|1,0,1]=3 276 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 494205 [0,1,0,0,0,0|1,1,1]=4 277 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 215518 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 079491 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 001001 [0,1,0,0,0,0|1,0,1]=3 280 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 216656 [0,1,0,0,0,0|1,0,1]=3 281 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 025639 [0,1,0,0,0,0|1,0,1]=3 282 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 001190 [0,1,0,0,0,0|1,0,1]=3 283 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 078553 [0,1,0,0,0,0|0,0,1]=2 284 B11R1.22 CCC(C)C1=CC=C(O)C=C1 098816 [0,1,0,0,0,0|0,0,0]=1 285 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 091217 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.22 CNC(=O)C1=CC=C(C)C=C1 342068 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 105214 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.22 CNC(=O)C1=CC=C(F)C=C1 033236 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 102872 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 236709 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 078890 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.22 COC(=O)C1=CC=C(C)C=C1 349109 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 018826 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.22 COC(=O)C1=CC=C(F)C=C1 006802 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.22 COC(=O)C1=CC=C(I)C=C1 079685 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.22 COC(=O)C1=CC=C(N)C=C1 035825 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.22 COC(=O)C1=CC=C(O)C=C1 209090 [0,1,0,0,0,0|1,0,1]=3 298 B11R1.22 COC(=O)C1=NC=C(O)C=C1 070001 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.22 N#CC(N)C1=CC=C(F)C=C1 007824 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 219256 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 030636 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.22 NCC(O)C1=CC=C(O)C=C1 375146 [0,1,0,0,0,0|1,0,0]=2 303 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 040177 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 001372 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 036379 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 018027 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 221680 [0,1,0,0,0,0|1,0,1]=3 308 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 219727 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 001629 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.22 O=C(CF)C1=CC=C(O)C=C1 009465 [0,1,0,0,0,0|1,0,1]=3 311 B11R1.81 CC1=CC(C)=C(CCN)C=C1 018631 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.81 CC1=CC(F)=CC=C1CC#N 045033 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.81 CCOC1=C(Br)C=C(F)C=C1 094411 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.81 CCOC1=C(C)C=C(F)C=C1 098580 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 013276 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.81 CCOC1=C(F)C=C(F)C=C1 104550 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.81 CCOC1=CC=C(Br)C=C1C 038826 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.81 CCSC1=C(Cl)C=C(Cl)C=C1 094711 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 043358 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.81 CNCC1=CC=C(F)C=C1F 226208 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 047731 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 009421 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 004850 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.81 N#CCC1=CC=C(Br)C=C1F 047142 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.81 NCCC1=CC=C(Cl)C=C1F 075240 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.81 NCCC1=CC=C(F)C=C1F 075233 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.81 OCCC1=C(F)C=C(Cl)C=C1 104573 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.81 OCCC1=CC=C(Br)C=C1F 245246 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.81 OCCC1=CC=C(F)C=C1F 246524 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.83 C=CCC1=CC=C(OC)C=C1 022327 [0,1,0,0,0,0|0,0,2]=3 331 B11R1.83 CCC1=CC=C(CCN)C=C1 141300 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.83 CCC1=CN=C(CCO)C=C1 036554 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.83 CCOC1=CC=C(C#N)C=C1 018663 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.83 CCOC1=CC=C(C=O)C=C1 078991 [0,1,0,0,0,0|1,0,1]=3 335 B11R1.83 CCOC1=CC=C(CO)C=C1 459231 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.83 CCOC1=CC=C(SC)C=C1 098464 [0,1,0,0,0,0|1,1,0]=3 337 B11R1.83 CCSC1=CC=C(OC)C=C1 094724 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.83 CNCC1=CC=C(OC)C=C1 042366 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.83 COC1=CC=C(CC#N)C=C1 048243 [0,1,0,0,0,0|1,0,1]=3 340 B11R1.83 COC1=CC=C(CCCl)C=C1 330010 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.83 COC1=CC=C(CCN)C=C1 008885 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.83 COC1=CC=C(CCO)C=C1 209105 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.83 COC1=CC=C(CNN)C=C1 061213 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.83 COC1=CC=C(CON)C=C1 044098 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.83 COC1=CC=C(N=C=O)C=C1 046953 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.83 COC1=CC=C(N=C=S)C=C1 001278 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.83 COC1=CC=C(NC=O)C=C1 329772 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.83 COCC1=CC=C(CN)C=C1 075961 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.83 CSC1=CC=C(CC#N)C=C1 018877 [0,1,0,0,0,0|1,1,1]=4 350 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 209027 [0,1,0,0,0,0|0,0,2]=3 351 B11R1.83 C\N=C\C1=CC=C(OC)C=C1 080129 [0,1,0,0,0,0|1,0,1]=3 352 B11R1.192 CC1=C(C)C=C(CCN)C=C1 018634 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.192 CC1=C(F)C=C(CC#N)C=C1 005803 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 013281 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.192 CCOC1=CC(F)=C(F)C=C1 013302 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.192 CCOC1=CC=C(Br)C(C)=C1 210905 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.192 N#CCC1=CC(Br)=C(Cl)C=C1 044660 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 019265 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 005670 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.192 N#CCC1=CC(F)=C(Cl)C=C1 033014 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.192 N#CCC1=CC(F)=C(F)C=C1 004853 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.192 NCCC1=CC(Cl)=C(F)C=C1 075249 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.192 NCCC1=CC=C(Cl)C(Cl)=C1 128205 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 022138 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.192 OCCC1=CC(F)=C(F)C=C1 022223 [0,1,0,0,0,0|2,0,0]=3 366 B9R0.48 CCOC(=O)\C=C\C(=O)O 222100 [0,0,1,0,0,0|3,0,0]=4 367 B11R2.36 BrC1=CC2=C(C=C1)NCC2 092323 [0,0,0,1,0,0|2,0,0]=3 368 B11R2.36 BrC1=CC2=C(C=C1)OCO2 002997 [0,0,0,1,0,0|3,0,0]=4 369 B11R2.36 BrC1=CC=C2OCCC2=C1 017488 [0,0,0,1,0,0|2,0,0]=3 370 B11R2.36 CC1=CC2=C(C=C1)NCC2 208813 [0,0,0,1,0,0|2,0,0]=3 371 B11R2.36 ClC1=CC2=C(C=C1)OCO2 018400 [0,0,0,1,0,0|3,0,0]=4 372 B11R2.36 FC1=CC=C2NCCC2=C1 009193 [0,0,0,1,0,0|2,0,0]=3 373 B11R2.36 IC1=CC2=C(C=C1)OCO2 018746 [0,0,0,1,0,0|3,0,0]=4 374 B11R2.36 IC1=CC=C2OCCC2=C1 017491 [0,0,0,1,0,0|2,0,0]=3 375 B11R2.36 NC1=CC2=C(C=C1)CCC2 225604 [0,0,0,1,0,0|1,0,0]=2 376 B11R2.36 NC1=CC2=C(C=C1)OCO2 033052 [0,0,0,1,0,0|3,0,0]=4 377 B11R2.36 OC1=CC2=C(C=C1)NC=C2 016237 [0,0,0,1,0,0|1,0,2]=4 378 B11R2.36 OC1=CC2=C(C=C1)NN=C2 036387 [0,0,0,1,0,0|2,0,1]=4 379 B11R2.36 OC1=CC2=C(C=C1)OCO2 358234 [0,0,0,1,0,0|2,0,0]=3 380 B11R2.36 OC1=CC=C2CCCC2=C1 008833 [0,0,0,1,0,0|0,0,0]=1 381 B8R1.2 BrCC1=CC=CC=C1 003666 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.2 BrCC1=CC=CN=C1 214585 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.2 BrCC1=CC=NC=C1 067829 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.2 BrCC1=NC=CC=C1 067831 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.2 Br[Mg]C1=CC=CC=C1 103487 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 Br[Mg]C1=CC=CC=C1 214282 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.2 C#CC1=CC=CC=C1 003009 [2,0,0,0,0,0|0,0,2]=4 388 B8R1.2 C=CC1=CC=CC=C1 520455 [2,0,0,0,0,0|0,0,2]=4 389 B8R1.2 CCC1=CC=CC=C1 094632 [2,0,0,0,0,0|0,0,0]=2 390 B8R1.2 CCC1=CC=CC=N1 098941 [2,0,0,0,0,0|1,0,0]=3 391 B8R1.2 CCC1=CC=CN=C1 242838 [2,0,0,0,0,0|1,0,0]=3 392 B8R1.2 CCC1=CC=NC=C1 319885 [2,0,0,0,0,0|1,0,0]=3 393 B8R1.2 CCC1=NC=CN=C1 002727 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.2 CC[N+]1=CC=CC=C1 046807 [2,0,0,0,0,0|1,0,0]=3 395 B8R1.2 CNC1=CC=CC=C1 094625 [2,0,0,0,0,0|1,0,0]=3 396 B8R1.2 CNC1=CC=CN=C1 079398 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.2 CNC1=CC=NC=C1 208626 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.2 CNC1=NC=CC=C1 233304 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.2 COC1=CC=CC=C1 M03556 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.2 COC1=CC=CN=C1 079847 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.2 COC1=CC=NC=C1 045194 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.2 COC1=NC=CC=C1 045214 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.2 CSC1=CC=CC=C1 002945 [2,0,0,0,0,0|1,0,0]=3 404 B8R1.2 ClCC1=CC=CC=C1 106800 [2,0,0,0,0,0|1,0,0]=3 405 B8R1.2 ClCC1=CC=CC=N1 026180 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.2 ClCC1=CC=CN=C1 043884 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.2 ClCC1=CC=NC=C1 050512 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.2 Cl[Hg]C1=CC=CC=C1 101463 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.2 Cl[Se]C1=CC=CC=C1 005554 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.2 N#CC1=CC=CC=C1 035786 [2,0,0,0,0,0|1,0,1]=4 411 B8R1.2 N#CC1=CC=CC=C1 102548 [2,0,0,0,0,0|1,0,1]=4 412 B8R1.2 NCC1=CC=CC=C1 098408 [2,0,0,0,0,0|1,0,0]=3 413 B8R1.2 NCC1=CC=CC=C1 241882 [2,0,0,0,0,0|1,0,0]=3 414 B8R1.2 NCC1=CC=CN=C1 078185 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.2 NCC1=CC=NC=C1 065475 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.2 NCC1=NC=CC=C1 009750 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.2 NNC1=CC=CC=C1 079470 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.2 NNC1=CC=CC=C1 098902 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.2 O=NC1=CC=CC=C1 106182 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.2 OCC1=CC=CC=C1 094986 [2,0,0,0,0,0|1,0,0]=3 421 B8R1.2 OCC1=CC=CC=C1 105725 [2,0,0,0,0,0|1,0,0]=3 422 B8R1.2 OCC1=CC=CN=C1 208628 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.2 OCC1=CC=NC=C1 078602 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.2 OCC1=NC=CC=C1 043374 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.2 SCC1=CC=CC=C1 098994 [2,0,0,0,0,0|1,0,0]=3 426 B8R1.2 [C-]#[N+]C1=CC=CC=C1 180012 [2,0,0,0,0,0|1,0,1]=4 427 B8R1.2 [O-]CC1=CC=CC=C1 105697 [2,0,0,0,0,0|1,0,0]=3 428 B8R1.3 BrC1=CC=C(Br)C=C1 125702 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.3 BrC1=CC=C(I)C=C1 005440 [2,0,0,0,0,0|2,0,0]=4 430 B8R1.3 CC1=CC=C(Br)C=C1 001435 [2,0,0,0,0,0|1,0,0]=3 431 B8R1.3 CC1=CC=C(C)C=C1 098352 [2,0,0,0,0,0|1,0,0]=3 432 B8R1.3 CC1=CC=C(Cl)C=C1 099073 [2,0,0,0,0,0|1,0,0]=3 433 B8R1.3 CC1=CC=C(Cl)N=C1 049167 [2,0,0,0,0,0|2,0,0]=4 434 B8R1.3 CC1=CC=C(F)C=C1 001443 [2,0,0,0,0,0|1,0,0]=3 435 B8R1.3 CC1=CC=C(F)C=N1 035867 [2,0,0,0,0,0|2,0,0]=4 436 B8R1.3 CC1=CC=C(I)C=C1 001201 [2,0,0,0,0,0|1,0,0]=3 437 B8R1.3 CC1=CC=C(N)C=C1 080317 [2,0,0,0,0,0|1,0,0]=3 438 B8R1.3 CC1=CC=C(N)C=N1 012721 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.3 CC1=CC=C(O)C=C1 240310 [2,0,0,0,0,0|0,0,0]=2 440 B8R1.3 CC1=CC=C(S)C=C1 019192 [2,0,0,0,0,0|0,1,0]=3 441 B8R1.3 CC1=CC=[N+]([O-])C=C1 237882 [2,0,0,0,0,0|1,0,1]=4 442 B8R1.3 CC1=CN=C(Br)C=C1 024508 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.3 CC1=CN=C(F)C=C1 008920 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.3 CC1=CN=C(N)C=C1 003527 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.3 CC1=CN=C(O)C=C1 037381 [2,0,0,0,0,0|1,0,0]=3 446 B8R1.3 CC1=CNC(=O)C=C1 318707 [2,0,0,0,0,0|1,0,1]=4 447 B8R1.3 CC1=NC=C(Br)C=C1 033262 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.3 CC1=NC=C(Cl)C=C1 221445 [2,0,0,0,0,0|2,0,0]=4 449 B8R1.3 CC1=NC=C(O)C=C1 076959 [2,0,0,0,0,0|1,0,0]=3 450 B8R1.3 ClC1=CC=C(Br)C=C1 094835 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.3 ClC1=CC=C(Cl)C=C1 094994 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.3 ClC1=CC=C(I)C=C1 001151 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.3 FC1=CC=C(Br)C=C1 001225 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.3 FC1=CC=C(Cl)C=C1 001147 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.3 FC1=CC=C(F)C=C1 001170 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.3 FC1=CC=C(I)C=C1 001184 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.3 FC1=CC=C(S)C=C1 001625 [2,0,0,0,0,0|1,1,0]=4 458 B8R1.3 IC1=CC=C(I)C=C1 131402 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.3 NC1=CC=C(Br)C=C1 002472 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.3 NC1=CC=C(Cl)C=C1 046750 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.3 NC1=CC=C(F)C=C1 001439 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.3 NC1=CC=C(I)C=C1 005423 [2,0,0,0,0,0|2,0,0]=4 463 B8R1.3 NC1=CC=C(N)C=C1 165600 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.3 NC1=CC=C(N)C=C1 238391 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.3 NC1=CC=C(O)C=C1 005060 [2,0,0,0,0,0|1,0,0]=3 466 B8R1.3 NC1=CC=C(O)N=C1 049670 [2,0,0,0,0,0|2,0,0]=4 467 B8R1.3 NC1=CC=C(S)C=C1 050722 [2,0,0,0,0,0|1,1,0]=4 468 B8R1.3 NC1=CN=C(O)C=C1 040143 [2,0,0,0,0,0|2,0,0]=4 469 B8R1.3 NC1=NC=C(O)C=C1 077000 [2,0,0,0,0,0|2,0,0]=4 470 B8R1.3 O=C1C=CC(=O)C=C1 094629 [2,0,0,0,0,0|1,0,1]=4 471 B8R1.3 OC1=CC=C(Br)C=C1 008836 [2,0,0,0,0,0|1,0,0]=3 472 B8R1.3 OC1=CC=C(Br)C=N1 035853 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.3 OC1=CC=C(Cl)C=C1 099915 [2,0,0,0,0,0|1,0,0]=3 474 B8R1.3 OC1=CC=C(F)C=C1 001291 [2,0,0,0,0,0|1,0,0]=3 475 B8R1.3 OC1=CC=C(F)C=N1 036288 [2,0,0,0,0,0|2,0,0]=4 476 B8R1.3 OC1=CC=C(F)N=C1 036275 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.3 OC1=CC=C(I)C=C1 008839 [2,0,0,0,0,0|1,0,0]=3 478 B8R1.3 OC1=CC=C(O)C=C1 146000 [2,0,0,0,0,0|1,0,0]=3 479 B8R1.3 OC1=CN=C(Br)C=C1 037033 [2,0,0,0,0,0|2,0,0]=4 480 B8R1.3 OC1=CN=C(Cl)C=C1 024512 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.3 OC1=NC=C(Cl)C=C1 067320 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.3 OC1=NC=C(I)C=C1 067337 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.3 SC1=CC=C(Br)C=C1 023261 [2,0,0,0,0,0|1,1,0]=4 484 B8R1.3 SC1=CC=C(Cl)C=C1 005205 [2,0,0,0,0,0|1,1,0]=4 485 B10R1.3 BrCC1=CC=C(CBr)C=C1 041016 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.3 C#CC1=CC=C(CC)C=C1 078540 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.3 C#CC1=CC=C(OC)C=C1 040076 [1,1,0,0,0,0|0,0,2]=4 488 B10R1.3 C=CC1=CC=C(CCl)C=C1 238993 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.3 C=CC1=CC=C(OC)C=C1 236760 [1,1,0,0,0,0|0,0,2]=4 490 B10R1.3 CCC1=CC=C(C=O)C=C1 045132 [1,1,0,0,0,0|0,0,1]=3 491 B10R1.3 CCC1=CC=C(CCl)C=C1 018680 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.3 CCC1=CC=C(CO)C=C1 237130 [1,1,0,0,0,0|0,0,0]=2 493 B10R1.3 CCC1=CC=C(NN)C=C1 023498 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.3 CCC1=CC=C(OC)C=C1 235779 [1,1,0,0,0,0|0,0,0]=2 495 B10R1.3 CCC1=CC=C(SC)C=C1 019350 [1,1,0,0,0,0|0,1,0]=3 496 B10R1.3 CNC1=CC=C(OC)C=C1 009653 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.3 COC1=CC=C(C#N)C=C1 035884 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.3 COC1=CC=C(C=O)C=C1 079445 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.3 COC1=CC=C(C=O)C=C1 098960 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.3 COC1=CC=C(CBr)C=C1 067817 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.3 COC1=CC=C(CN)C=C1 008876 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.3 COC1=CC=C(CO)C=C1 094474 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.3 COC1=CC=C(CS)C=C1 050468 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.3 COC1=CC=C(NN)C=C1 012691 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.3 COC1=CC=C(OC)C=C1 044664 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.3 COC1=CC=C(SC)C=C1 003888 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.3 COC1=CC=C([N+]#N)C=C1 390416 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.3 CSC1=CC=C(C=O)C=C1 402351 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.3 CSC1=CC=C(CCl)C=C1 018873 [1,1,0,0,0,0|1,1,0]=4 510 B10R1.3 CSC1=CC=C(CN)C=C1 009292 [1,1,0,0,0,0|1,1,0]=4 511 B10R1.3 CSC1=CC=C(CO)C=C1 103356 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.3 ClCC1=CC=C(CCl)C=C1 099057 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.3 N#CC1=CC=C(CBr)C=C1 049319 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.3 N#CC1=CC=C(CCl)C=C1 068171 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.3 N#CC1=CC=C(CN)C=C1 043646 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.3 N#CC1=CC=C(CO)C=C1 306933 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.3 NCC1=CC=C(CO)C=C1 036740 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.3 O=CC1=CC=C(CO)C=C1 222581 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.3 OCC1=CC=C(CO)C=C1 225421 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.13 C=C(C)C1=CC=C(F)C=C1 002236 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.13 C=C(C)C1=CC=C(O)C=C1 242991 [1,1,0,0,0,0|0,0,1]=3 522 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 002964 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.13 CC(=O)C1=CC=C(C)C=C1 075950 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 003111 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.13 CC(=O)C1=CC=C(F)C=C1 001621 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.13 CC(=O)C1=CC=C(I)C=C1 003065 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.13 CC(=O)C1=CC=C(I)C=C1 147401 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.13 CC(=O)C1=CC=C(N)C=C1 009865 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.13 CC(=O)C1=CC=C(O)C=C1 097596 [1,1,0,0,0,0|0,0,1]=3 530 B10R1.13 CC(=O)C1=NC=C(O)C=C1 242217 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.13 CC(C)C1=CC=C(Br)C=C1 005332 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.13 CC(C)C1=CC=C(I)C=C1 037613 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.13 CC(C)C1=CC=C(N)C=C1 044718 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.13 CC(C)C1=CC=C(N)C=N1 064855 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.13 CC(C)C1=CC=C(O)C=C1 224632 [1,1,0,0,0,0|0,0,0]=2 536 B10R1.13 CC(C)C1=CC=C(S)C=C1 350400 [1,1,0,0,0,0|0,1,0]=3 537 B10R1.13 CC(C)C1=CN=C(N)C=C1 091535 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.13 CC(N)C1=CC=C(Br)C=C1 001101 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 065422 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.13 CC(O)C1=CC=C(Br)C=C1 001129 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 002971 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.13 CC(O)C1=CC=C(F)C=C1 001295 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.13 CC1=CC=C(C(C)C)C=C1 048590 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.13 CC1=CC=C(C(C)N)C=C1 075281 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.13 CC1=CC=C(C(C)O)C=C1 494146 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.13 CC1=CC=C(C(C)O)C=N1 024704 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.13 CC1=CC=C(N(C)C)C=C1 013933 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.13 CN(C)C1=CC=C(Br)C=C1 001369 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.13 CN(C)C1=CC=C(F)C=C1 008560 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.13 CN(C)C1=CC=C(N)C=C1 215686 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.13 CN(C)C1=CC=C(N)C=C1 463347 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.13 CN(C)C1=CC=C(O)C=C1 223309 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.13 CN(C)C1=CC=C(S)C=C1 023125 [1,1,0,0,0,0|1,1,0]=4 554 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 050269 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.13 FC(F)C1=CC=C(Br)C=C1 023880 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 050225 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.13 FC1=CC=C(C(F)F)C=C1 024452 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.13 N=C(N)C1=CC=C(O)C=C1 023564 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.13 NC(=O)C1=CC=C(O)C=C1 002826 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.13 NC(=S)C1=CC=C(O)C=C1 021328 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.13 NC(=S)C1=CC=C(O)C=C1 097900 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.13 O=C(O)C1=CC=C(O)C=C1 094430 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 097791 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.13 OB(O)C1=CC=C(O)C=C1 078611 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.25 CC1=C(C=O)C=CC(O)=C1 040085 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.25 CC1=C(CN)C=CC(F)=C1 075557 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 022248 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.25 CC1=CC(Cl)=CC=C1CN 018397 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.25 CC1=CC(F)=C(CN)C=C1 342555 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.25 CC1=CC=C(CN)C(C)=C1 018614 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.25 CCC1=C(C)C=C(C)C=N1 450509 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.25 CCC1=C(Cl)C=C(Cl)C=C1 105745 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.25 CCC1=C(N)N=C(C)C=C1 430516 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.25 COC1=C(Br)C=C(Br)C=C1 003063 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.25 COC1=C(Br)C=C(F)C=C1 002823 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.25 COC1=C(Br)C=C(I)C=C1 038609 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.25 COC1=C(Br)C=C(N)C=C1 038608 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.25 COC1=C(C)C=C(Br)C=C1 024551 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.25 COC1=C(C)C=C(N)C=C1 038823 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.25 COC1=C(Cl)C=C(F)C=C1 013256 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.25 COC1=C(F)C=C(Br)C=C1 004207 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.25 COC1=C(F)C=C(F)C=C1 002346 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.25 COC1=C(F)C=C(N)C=C1 010679 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.25 COC1=C(I)C=C(C)C=C1 148600 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.25 COC1=C(N)C=C(Cl)C=C1 020202 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.25 COC1=C(N)C=C(I)C=C1 005445 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.25 COC1=C(O)C=C(C)C=C1 009947 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.25 COC1=C(O)C=C(F)C=C1 013351 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.25 COC1=C(S)C=C(C)C=C1 038021 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.25 COC1=CC=C(Br)C=C1Cl 240212 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.25 COC1=CC=C(Br)C=C1O 043697 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.25 COC1=CC=C(C)C=C1Br 018292 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.25 COC1=CC=C(C)C=C1Cl 018390 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.25 COC1=CC=C(C)C=C1N 043367 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.25 COC1=CC=C(Cl)C=C1Br 018250 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.25 COC1=CC=C(Cl)C=C1Cl 018511 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.25 COC1=CC=C(Cl)C=C1I 018381 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.25 COC1=CC=C(F)C=C1C 013357 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.25 COC1=CC=C(F)C=C1N 064681 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.25 COC1=CC=C(F)C=C1N 209750 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.25 COC1=CC=C(I)C=C1Cl 075742 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.25 COC1=CC=C(N)C=C1Cl 079264 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.25 COC1=CC=C(N)C=C1I 079878 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.25 COC1=CC=C(N)C=C1O 233883 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.25 COC1=CC=C(O)C=C1Br 076521 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.25 CSC1=C(C)C=C(C)C=C1 019336 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.25 CSC1=C(F)C=C(F)C=C1 019352 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 043355 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 004221 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 009420 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.25 FC1=C(CS)C=CC(Br)=C1 024380 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.25 FC1=C(CS)C=CC(Cl)=C1 024379 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 005630 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 FC1=CC(F)=C(CBr)C=C1 001922 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.25 FC1=CC=C(CCl)C(F)=C1 021891 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.25 N#CC1=C(F)C=C(O)C=C1 008675 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.25 N#CC1=CC=C(O)C=C1O 208819 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 237144 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 004441 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.25 NCC1=C(F)C=C(Br)C=C1 013225 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 070559 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 NCC1=C(F)C=C(F)C=C1 004792 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 NCC1=CC=C(Br)C=C1F 033746 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.25 O=CC1=C(F)C=C(O)C=C1 033810 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.25 O=CC1=CC=C(O)C=C1Br 220408 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.25 O=CC1=CC=C(O)C=C1Cl 040194 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.25 O=CC1=CC=C(O)C=C1O 227645 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.25 OCC1=C(Br)C=C(F)C=C1 013215 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 008825 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 005623 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 OCC1=C(F)C=C(Br)C=C1 013219 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 009419 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.25 OCC1=C(F)C=C(F)C=C1 001921 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.25 SCC1=C(Cl)C=C(Cl)C=C1 051211 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 065393 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.176 CC1=C(F)C=C(CBr)C=C1 005799 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.176 CC1=C(F)C=C(CN)C=C1 005796 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.176 CC1=C(F)C=CC(CBr)=C1 005800 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.176 CC1=C(F)C=CC(CN)=C1 005797 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 CC1=C(F)C=CC(CO)=C1 005794 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.176 CC1=CC(CN)=CC=C1N 075980 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.176 CC1=CC=C(CCl)C=C1C 018620 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.176 CC1=CC=C(CN)C=C1C 018617 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.176 CC1=CC=C(CO)C=C1C 237644 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.176 CCC1=CC(Br)=C(Br)C=C1 037708 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.176 CCC1=CC(Br)=C(Cl)C=C1 037705 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.176 CCC1=CC(Br)=C(F)C=C1 037706 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.176 CCC1=CC(Br)=C(I)C=C1 037707 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.176 CCC1=CC(N)=C(O)C=C1 311903 [1,1,0,0,0,0|0,0,0]=2 650 B10R1.176 CCC1=CC=C(N)C(Br)=C1 037704 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.176 CCC1=CC=C(O)C(Br)=C1 467266 [1,1,0,0,0,0|0,0,0]=2 652 B10R1.176 CNC1=CC=C(Cl)C(Cl)=C1 045883 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.176 COC1=CC(Br)=C(C)C=C1 038675 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.176 COC1=CC(Br)=C(I)C=C1 038758 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.176 COC1=CC(Br)=C(N)C=C1 064590 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.176 COC1=CC(C)=C(C)C=C1 049843 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.176 COC1=CC(C)=C(F)C=C1 006276 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.176 COC1=CC(C)=C(N)C=C1 013907 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 021885 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.176 COC1=CC(Cl)=C(F)C=C1 013257 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.176 COC1=CC(Cl)=C(O)C=C1 036149 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.176 COC1=CC(F)=C(Br)C=C1 036324 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.176 COC1=CC(F)=C(Cl)C=C1 004420 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.176 COC1=CC(F)=C(F)C=C1 004776 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.176 COC1=CC(I)=C(Cl)C=C1 037531 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.176 COC1=CC(N)=C(Cl)C=C1 358387 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.176 COC1=CC=C(Br)C(Br)=C1 038757 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.176 COC1=CC=C(Br)C(C)=C1 018291 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.176 COC1=CC=C(Br)C(I)=C1 062586 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.176 COC1=CC=C(Br)C(N)=C1 062578 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.176 COC1=CC=C(C)C(N)=C1 077941 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.176 COC1=CC=C(Cl)C(Br)=C1 035670 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.176 COC1=CC=C(Cl)C(N)=C1 024240 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.176 COC1=CC=C(N)C(F)=C1 077923 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.176 COC1=CC=C(N)C(I)=C1 079758 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.176 COC1=CC=C(N)C(N)=C1 075218 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.176 COC1=CC=C(N)C(N)=C1 092184 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.176 CSC1=CC(C)=C(C)C=C1 019339 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.176 CSC1=CC(Cl)=C(Cl)C=C1 019347 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.176 ClC1=C(Br)C=C(CBr)C=C1 044634 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.176 ClC1=C(Br)C=CC(CBr)=C1 044619 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 088358 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 005633 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.176 FC1=C(Cl)C=C(CS)C=C1 024376 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.176 FC1=C(Cl)C=CC(CBr)=C1 021808 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.176 FC1=C(F)C=C(CBr)C=C1 002085 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.176 FC1=C(F)C=C(CCl)C=C1 007846 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.176 FC1=C(F)C=C(CS)C=C1 024361 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 017248 [1,1,0,0,0,0|1,0,1]=4 690 B10R1.176 N#CC1=CC(F)=C(O)C=C1 013830 [1,1,0,0,0,0|1,0,1]=4 691 B10R1.176 N#CC1=CC=C(O)C(Br)=C1 077854 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.176 N#CC1=CC=C(O)C(N)=C1 061531 [1,1,0,0,0,0|1,0,1]=4 693 B10R1.176 N#CC1=CC=C(O)C(O)=C1 214595 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.176 NCC1=CC(Br)=C(F)C=C1 013223 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 013145 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 004443 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 021807 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.176 NCC1=CC(F)=C(F)C=C1 004794 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.176 NCC1=CC(N)=C(F)C=C1 075136 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.176 NCC1=CC=C(F)C(Br)=C1 062526 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.176 O=C1C=C(CO)OC=C1O 046837 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 065171 [1,1,0,0,0,0|1,0,1]=4 703 B10R1.176 O=CC1=CC(F)=C(O)C=C1 009205 [1,1,0,0,0,0|1,0,1]=4 704 B10R1.176 O=CC1=CC=C(O)C(Br)=C1 222103 [1,1,0,0,0,0|1,0,1]=4 705 B10R1.176 O=CC1=CC=C(O)C(O)=C1 078190 [1,1,0,0,0,0|1,0,1]=4 706 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 044560 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.176 OCC1=CC(Br)=C(F)C=C1 013217 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.176 OCC1=CC(Cl)=C(Br)C=C1 044809 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 008824 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.176 OCC1=CC(Cl)=C(F)C=C1 005626 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 022247 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.176 OCC1=CC(F)=C(F)C=C1 002084 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.176 OCC1=CC=C(Br)C(F)=C1 091491 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.176 SCC1=CC=C(Cl)C(Cl)=C1 013511 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [1,1,0,0,0,0|0,0,2]=4 716 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.4 CC1=CC=CC=C1CCO 243106 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.4 CC1=CC=CN=C1CCO 032581 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.4 CCCC1=CC=NC=C1C 032545 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.4 CCNC1=C(F)C=CC=C1 017358 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.4 CCNC1=CC=CC=C1C 243028 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.4 CCOC1=C(Br)C=CC=C1 239298 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.4 CCOC1=C(F)C=CC=C1 006316 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.4 CCOC1=C(N)C=CC=C1 044850 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.4 CCOC1=CC=CC=C1O 216685 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.4 CCSC1=C(Cl)C=CC=C1 094570 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.4 CNCC1=CC=CC=C1F 077128 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.4 COCC1=CC=CC=C1Br 233857 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.4 N#CCC1=C(Br)C=CC=C1 001135 [1,1,0,0,0,0|1,0,1]=4 732 B10R1.4 N#CCC1=C(F)C=CC=C1 001187 [1,1,0,0,0,0|1,0,1]=4 733 B10R1.4 N#CCC1=CC=CC=C1Cl 225964 [1,1,0,0,0,0|1,0,1]=4 734 B10R1.4 N#CCC1=CC=CC=C1N 208802 [1,1,0,0,0,0|1,0,1]=4 735 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [1,1,0,0,0,0|1,0,0]=3 736 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.4 NCCC1=CC=CC=C1Br 067221 [1,1,0,0,0,0|1,0,0]=3 738 B10R1.4 NNCC1=C(F)C=CC=C1 070628 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.4 OCCC1=C(F)C=CC=C1 006314 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.4 OCCC1=CC=CC=C1Br 210426 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.4 OCCC1=CC=CC=C1Cl 329148 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.4 OCCC1=CC=CC=C1O 215704 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.10 C=CCC1=CC=CC(Cl)=C1 022313 [1,1,0,0,0,0|0,0,2]=4 744 B10R1.10 C=CCC1=CC=CC(F)=C1 022325 [1,1,0,0,0,0|0,0,2]=4 745 B10R1.10 CC1=CC(CC#N)=CC=C1 092558 [1,1,0,0,0,0|1,0,1]=4 746 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.10 CCCC1=CC=CC(O)=C1 431370 [1,1,0,0,0,0|0,0,0]=2 748 B10R1.10 CCNC1=CC=CC(C)=C1 216666 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.10 CCOC1=CC(C)=CC=C1 095135 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.10 CCSC1=CC(Br)=CC=C1 094879 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.10 CNCC1=CC=CC(F)=C1 077129 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.10 COCC1=CC(Br)=CC=C1 235324 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.10 ClC1=CC=CC(CCBr)=C1 020894 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.10 N#CCC1=CC(Br)=CC=C1 001136 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.10 N#CCC1=CC(F)=CC=C1 001188 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.10 N#CCC1=CC=CC(Cl)=C1 078843 [1,1,0,0,0,0|1,0,1]=4 758 B10R1.10 NCCC1=CC=CC(Br)=C1 048827 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.10 NCCC1=CC=CC(Cl)=C1 018421 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.10 NCCC1=CC=CC(F)=C1 040107 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.10 NCCC1=CC=CC(O)=C1 009950 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.10 OCCC1=CC(O)=CC=C1 092020 [1,1,0,0,0,0|1,0,0]=3 763 B10R1.10 OCCC1=CC=CC(Br)=C1 092240 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.10 OCCC1=CC=CC(Cl)=C1 078742 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.10 OCCC1=CC=CC(F)=C1 010684 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.10 [NH3+]OCC1=CC(F)=CC=C1 010010 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.15 C(=O)C(C)C1=CC=CC=C1 003859 [1,1,0,0,0,0|1,0,1]=4 768 B10R1.15 CC(C#N)C1=CC=CC=C1 001059 [1,1,0,0,0,0|1,0,1]=4 769 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [1,1,0,0,0,0|0,0,1]=3 771 B10R1.15 CCC(=O)C1=CC=CN=C1 494152 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.15 CCC(=O)C1=CC=NC=C1 218389 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [1,1,0,0,0,0|0,0,0]=2 774 B10R1.15 CCC(O)C1=CC=CC=C1 242652 [1,1,0,0,0,0|0,0,0]=2 775 B10R1.15 CCN(C)C1=CC=CC=C1 092421 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [1,1,0,0,0,0|0,0,0]=2 777 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 103637 [1,1,0,0,0,0|0,0,0]=2 778 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [1,1,0,0,0,0|0,0,0]=2 779 B10R1.15 CNC(=O)C1=CC=CC=C1 341719 [1,1,0,0,0,0|1,0,1]=4 780 B10R1.15 CNC(=S)C1=CC=CC=C1 180197 [1,1,0,0,0,0|1,0,1]=4 781 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.15 COC(=O)C1=CC=CC=C1 223218 [1,1,0,0,0,0|1,0,1]=4 784 B10R1.15 COS(=O)C1=CC=CC=C1 023251 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.15 N#CC(O)C1=CC=CC=C1 403371 [1,1,0,0,0,0|1,0,1]=4 786 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 324116 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [1,1,0,0,0,0|1,0,0]=3 788 B10R1.15 NCC(=O)C1=CC=CC=C1 040292 [1,1,0,0,0,0|1,0,1]=4 789 B10R1.15 NCC(O)C1=CC=CC=C1 008897 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [1,1,0,0,0,0|1,0,0]=3 791 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.15 O=C(CBr)C1=CC=CC=C1 040508 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.15 O=C(CCl)C1=CC=CC=C1 228091 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.15 O=C(CO)C1=CC=CC=C1 219236 [1,1,0,0,0,0|1,0,1]=4 797 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 103828 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.17 BrCCCC1=CC=CC=C1 113800 [1,1,0,0,0,0|0,0,0]=2 799 B10R1.17 BrCCOC1=CC=CC=C1 210427 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.17 BrCCSC1=CC=CC=C1 003535 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.17 C#CCCC1=CC=CC=C1 062967 [1,1,0,0,0,0|0,0,1]=3 802 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [1,1,0,0,0,0|1,0,1]=4 803 B10R1.17 C=CCCC1=CC=CC=C1 342184 [1,1,0,0,0,0|0,0,1]=3 804 B10R1.17 C=CCOC1=CC=CC=C1 242682 [1,1,0,0,0,0|0,0,2]=4 805 B10R1.17 C=CCSC1=CC=CC=C1 003665 [1,1,0,0,0,0|0,0,2]=4 806 B10R1.17 CCC#CC1=CC=CC=C1 103664 [1,1,0,0,0,0|0,0,1]=3 807 B10R1.17 CCCCC1=CC=CC=C1 240933 [1,1,0,0,0,0|0,0,0]=2 808 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.17 CCCNC1=CC=CC=C1 324115 [1,1,0,0,0,0|0,0,0]=2 810 B10R1.17 CCCSC1=CC=CC=C1 094618 [1,1,0,0,0,0|0,0,0]=2 811 B10R1.17 CCCSC1=NC=CC=C1 097642 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.17 CCNCC1=CC=CC=C1 239060 [1,1,0,0,0,0|0,0,0]=2 813 B10R1.17 CCNCC1=CC=CN=C1 046110 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.17 CCOCC1=CC=CC=C1 240434 [1,1,0,0,0,0|0,0,0]=2 815 B10R1.17 CCSCC1=CC=CC=C1 094637 [1,1,0,0,0,0|0,0,0]=2 816 B10R1.17 CNCCC1=CC=CC=C1 046956 [1,1,0,0,0,0|0,0,0]=2 817 B10R1.17 CNCCC1=NC=CC=C1 065480 [1,1,0,0,0,0|1,0,0]=3 818 B10R1.17 ClCCCC1=CC=CC=C1 320132 [1,1,0,0,0,0|0,0,0]=2 819 B10R1.17 ClCCSC1=CC=CC=C1 003536 [1,1,0,0,0,0|1,0,0]=3 820 B10R1.17 ClCOCC1=CC=CC=C1 106900 [1,1,0,0,0,0|1,0,0]=3 821 B10R1.17 ICCOC1=CC=CC=C1 313818 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.17 N#CCCC1=CC=CC=C1 337065 [1,1,0,0,0,0|0,0,1]=3 823 B10R1.17 N#CCOC1=CC=CC=C1 239898 [1,1,0,0,0,0|1,0,1]=4 824 B10R1.17 N#CCSC1=CC=CC=C1 003773 [1,1,0,0,0,0|1,0,1]=4 825 B10R1.17 NCC#CC1=CC=CC=C1 050963 [1,1,0,0,0,0|0,0,2]=4 826 B10R1.17 NCCCC1=CC=CC=C1 008890 [1,1,0,0,0,0|0,0,0]=2 827 B10R1.17 NCCNC1=CC=CC=C1 320056 [1,1,0,0,0,0|1,0,0]=3 828 B10R1.17 NCCNC1=CC=NC=C1 033853 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.17 NCCOC1=CC=CC=C1 078737 [1,1,0,0,0,0|1,0,0]=3 830 B10R1.17 O=CCCC1=CC=CC=C1 237467 [1,1,0,0,0,0|0,0,1]=3 831 B10R1.17 O=COCC1=CC=CC=C1 240742 [1,1,0,0,0,0|1,0,1]=4 832 B10R1.17 OCC#CC1=CC=CC=C1 166200 [1,1,0,0,0,0|0,0,2]=4 833 B10R1.17 OCCCC1=CC=CC=C1 241187 [1,1,0,0,0,0|0,0,0]=2 834 B10R1.17 OCCCC1=CC=CN=C1 032639 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.17 OCCCC1=CC=NC=C1 093367 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.17 OCCCC1=NC=CC=C1 234266 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.17 OCCNC1=CC=CC=C1 240954 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.17 OCCNC1=CC=NC=C1 034928 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.17 OCCNC1=NC=CC=C1 034929 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.17 OCCNC1=NC=CC=C1 061534 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.17 OCCOC1=CC=CC=C1 005091 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.17 OCCSC1=CC=CC=C1 003534 [1,1,0,0,0,0|1,0,0]=3 843 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [1,1,0,0,0,0|0,0,2]=4 844 B10R1.17 S=C=NCC1=CC=CC=C1 002504 [1,1,0,0,0,0|1,0,1]=4 845 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 342017 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [1,1,0,0,0,0|0,0,0]=2 851 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [1,1,0,0,0,0|1,0,0]=3 853 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [1,1,0,0,0,0|1,0,0]=3 854 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [1,1,0,0,0,0|0,0,0]=2 855 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [1,1,0,0,0,0|0,0,0]=2 857 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [1,1,0,0,0,0|0,0,0]=2 858 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [1,1,0,0,0,0|1,0,1]=4 859 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [1,1,0,0,0,0|1,0,1]=4 860 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [1,1,0,0,0,0|1,0,1]=4 861 B12R1.1 CCCCCC1=CC=C(Br)C=C1 018302 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 018420 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.1 CCCCCC1=CC=C(F)C=C1 006311 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.1 CCCCCC1=CC=C(I)C=C1 018749 [0,2,0,0,0,0|1,0,0]=3 865 B12R1.1 CCCCOC1=CC=C(I)C=C1 035660 [0,2,0,0,0,0|1,0,0]=3 866 B12R1.1 CCCCOC1=CC=C(N)C=C1 001735 [0,2,0,0,0,0|1,0,0]=3 867 B12R1.1 CCCCOC1=CC=C(O)C=C1 240953 [0,2,0,0,0,0|0,0,0]=2 868 B12R1.1 COCCOC1=CC=C(Br)C=C1 472903 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.1 COCCSC1=CC=C(Br)C=C1 102411 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.1 FC1=CC=C(OCCCCl)C=C1 008794 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.1 O=C=NCCC1=CC=C(F)C=C1 104409 [0,2,0,0,0,0|1,0,1]=4 872 B12R1.1 S=C=NCCC1=CC=C(Cl)C=C1 018422 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 242531 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.16 CCCC(=O)C1=CC=C(Cl)C=C1 103303 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.16 CCCC(=O)C1=CC=C(N)C=C1 002497 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 046141 [0,2,0,0,0,0|0,0,0]=2 877 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 080303 [0,2,0,0,0,0|1,0,1]=4 878 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 078889 [0,2,0,0,0,0|1,0,1]=4 879 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 235782 [0,2,0,0,0,0|1,0,1]=4 880 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 006108 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 005465 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 037356 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 209419 [0,2,0,0,0,0|0,0,1]=3 884 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 339744 [0,2,0,0,0,0|0,0,0]=2 885 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 040399 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.16 N[C@H](CCO)C1=CC=C(Cl)C=C1 034404 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 002958 [0,2,0,0,0,0|1,0,1]=4 888 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 001742 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [0,2,0,0,0,0|0,0,0]=2 890 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 003767 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 023249 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 006345 [0,2,0,0,0,0|1,0,1]=4 893 B12R1.21 CC(C)COC1=CC=C(N)C=C1 038448 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 018857 [0,2,0,0,0,0|1,0,1]=4 895 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 008895 [0,2,0,0,0,0|0,0,0]=2 896 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 239138 [0,2,0,0,0,0|0,0,0]=2 897 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 103202 [0,2,0,0,0,0|1,0,1]=4 898 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 002500 [0,2,0,0,0,0|1,0,1]=4 899 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 477557 [0,2,0,0,0,0|1,0,1]=4 900 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 018312 [0,2,0,0,0,0|1,0,1]=4 901 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 121300 [0,2,0,0,0,0|1,0,1]=4 902 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 006340 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 033922 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 078730 [0,2,0,0,0,0|0,0,1]=3 905 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 358423 [0,2,0,0,0,0|1,0,1]=4 906 B12R1.49 CCC(=O)OC1=CC=C(Br)C=C1 043371 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 314877 [0,2,0,0,0,0|1,0,1]=4 908 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 043034 [0,2,0,0,0,0|1,0,1]=4 909 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 094941 [0,2,0,0,0,0|1,0,1]=4 910 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 092183 [0,2,0,0,0,0|1,0,1]=4 911 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 032725 [0,2,0,0,0,0|1,0,1]=4 912 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 038714 [0,2,0,0,0,0|1,0,1]=4 913 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 023575 [0,2,0,0,0,0|1,0,1]=4 914 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 037384 [0,2,0,0,0,0|0,0,1]=3 915 B12R1.69 CCCOC1=C(Br)C=C(F)C=C1 401142 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.69 OCCOC1=C(Cl)C=C(Cl)C=C1 018531 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.69 OCCSC1=C(Cl)C=C(Cl)C=C1 019390 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.69 OCCSC1=C(F)C=C(F)C=C1 019397 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.71 CCCCC1=CC=C(CO)C=C1 241664 [0,2,0,0,0,0|0,0,0]=2 920 B12R1.71 CCCOC1=CC=C(C=O)C=C1 005340 [0,2,0,0,0,0|0,0,1]=3 921 B12R1.71 CCCOC1=CC=C(CO)C=C1 403124 [0,2,0,0,0,0|0,0,0]=2 922 B12R1.71 CCCOC1=CC=C(OC)C=C1 095347 [0,2,0,0,0,0|0,0,0]=2 923 B12R1.71 CCNCC1=CC=C(OC)C=C1 029634 [0,2,0,0,0,0|0,0,0]=2 924 B12R1.71 CCOCC1=CC=C(CN)C=C1 080274 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.71 COC1=CC=C(CCCO)C=C1 463295 [0,2,0,0,0,0|0,0,0]=2 926 B12R1.71 COC1=CC=C(CN=C=O)C=C1 367191 [0,2,0,0,0,0|1,0,1]=4 927 B12R1.71 COC1=CC=C(CN=C=S)C=C1 008998 [0,2,0,0,0,0|1,0,1]=4 928 B12R1.71 COC1=CC=C(OCC#N)C=C1 068149 [0,2,0,0,0,0|1,0,1]=4 929 B12R1.71 COC1=CC=C(OCCN)C=C1 017197 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.71 COC1=CC=C(OCCN)C=C1 044959 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.71 COC1=CC=C(SCCO)C=C1 019386 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.385 CCCCC1=CC=C(Br)C(Br)=C1 037558 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.385 CCCCC1=CC=C(N)C(Br)=C1 037552 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.385 CCCOC1=CC=C(Br)C(C)=C1 237216 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.385 OCCSC1=CC(Cl)=C(Cl)C=C1 019393 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.4 C(F)(F)OC1=CC=C(CO)C=C1 007857 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 014193 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 023446 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.4 CC(C)OC1=CC=C(CO)C=C1 303185 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 078964 [0,2,0,0,0,0|1,0,1]=4 941 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 003622 [0,2,0,0,0,0|0,0,1]=3 942 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 040242 [0,2,0,0,0,0|1,0,1]=4 943 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 091550 [0,2,0,0,0,0|1,0,1]=4 944 B12R1.4 COC1=CC=C(SC(C)C)C=C1 097693 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.19 CC(C)OC1=CC(F)=C(Cl)C=C1 094398 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.19 CC(C)OC1=CC=C(Br)C(F)=C1 227656 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 024228 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 209995 [0,2,0,0,0,0|1,0,1]=4 949 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 092681 [0,2,0,0,0,0|1,0,1]=4 950 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 104322 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 511321 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 245810 [0,2,0,0,0,0|1,0,1]=4 953 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 222543 [0,2,0,0,0,0|1,0,1]=4 954 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 093194 [0,2,0,0,0,0|1,0,1]=4 955 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 209478 [0,2,0,0,0,0|1,0,1]=4 956 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 234352 [0,2,0,0,0,0|1,0,1]=4 957 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 401634 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.106 CC(C)(C)OC1=CC=C(N)C=C1 209401 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.106 CC(C)(C)OC1=CC=C(O)C=C1 013127 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.106 CC1=CC=C(CC(F)(F)F)C=C1 094943 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.106 CS(=O)(=O)CC1=CC=C(Br)C=C1 024347 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.106 FC(F)(F)CC1=CC=C(Br)C=C1 036127 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.106 FC(F)(F)CC1=CC=C(Cl)C=C1 099288 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.106 FC(F)(F)CC1=CC=C(I)C=C1 095071 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.106 FC1=CC=C(CC(F)(F)F)C=C1 037198 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.106 NC1=CC=C(CC(F)(F)F)C=C1 324481 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.106 OC1=CC=C(OC(F)(F)F)C=C1 001424 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.106 OC1=CC=C(SC(F)(F)F)C=C1 008719 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.233 CC(=O)CC1=C(Cl)C=C(Cl)C=C1 400163 [0,2,0,0,0,0|1,0,1]=4 970 B12R1.233 CC(C)OC1=C(Br)C=C(F)C=C1 013243 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.233 CC1=CC(Br)=CC=C1OC(C)C 038827 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.233 CC1=CC(N)=C(OC(C)C)C=C1 036189 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.233 CC1=CC(N)=C(OC(C)C)C=C1 105078 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 103391 [0,2,0,0,0,0|0,0,1]=3 975 B12R1.5 CCC(C)C1=CC=C(OC)C=C1 104314 [0,2,0,0,0,0|0,0,0]=2 976 B12R1.5 COC(=O)C1=CC=C(CO)C=C1 329989 [0,2,0,0,0,0|1,0,1]=4 977 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 037871 [0,2,0,0,0,0|1,0,1]=4 978 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 018070 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 223112 [0,2,0,0,0,0|1,0,1]=4 980 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 076576 [0,2,0,0,0,0|1,0,1]=4 981 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 329409 [0,2,0,0,0,0|1,0,1]=4 982 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 034174 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.9 CCS(=O)(=O)C1=CC=C(C)C=C1 095058 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 129800 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 463923 [0,2,0,0,0,0|1,0,1]=4 986 B12R1.367 CCC(=O)C1=CC=C(F)C(F)=C1 004874 [0,2,0,0,0,0|1,0,1]=4 987 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 066829 [0,2,0,0,0,0|1,0,1]=4 988 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=C1 211452 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 091670 [0,2,0,0,0,0|1,0,1]=4 990 B12R1.367 COC(=O)C1=CC=C(O)C(F)=C1 209529 [0,2,0,0,0,0|1,0,1]=4 991 B12R1.367 COC(=O)C1=CC=C(O)C(O)=C1 079513 [0,2,0,0,0,0|1,0,1]=4 992 B12R1.367 O=C(CCl)C1=CC=C(O)C(O)=C1 209994 [0,2,0,0,0,0|1,0,1]=4 993 B12R1.1703 CCC(=O)C1=CC=C(F)C=C1F 001929 [0,2,0,0,0,0|1,0,1]=4 994 B12R1.1703 COC(=O)C1=CC=C(O)C=C1O 093494 [0,2,0,0,0,0|1,0,1]=4 995 B12R1.112 CCOC1=CC=C(Br)C=C1C=O 011096 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.112 CCOC1=CC=C(Br)C=C1OC 401120 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.114 CCOC1=C(I)C=C(C=O)C=C1 402171 [0,2,0,0,0,0|1,0,1]=4 998 B12R1.1095 CC1=CC(C)=C(CCO)C(C)=C1 243109 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.1095 CCOC1=C(Br)C=C(F)C=C1Br 094470 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.1095 CCOC1=C(F)C=C(Br)C=C1F 401154 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 M01851 [0,2,0,0,0,0|1,0,0]=3 1002 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 045302 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 242581 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 045284 [0,2,0,0,0,0|1,0,0]=3 1005 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 240027 [0,2,0,0,0,0|1,0,0]=3 1006 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 018653 [0,2,0,0,0,0|1,0,1]=4 1007 B12R1.113 CCOC1=NC=C(B(O)O)C=C1 077991 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.113 CCSC1=CC=C(C(C)=O)C=C1 022394 [0,2,0,0,0,0|1,0,1]=4 1009 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 391567 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 216002 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 060270 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.113 N#CCC1=CC=C(B(O)O)C=C1 225428 [0,2,0,0,0,0|1,0,1]=4 1013 B12R1.113 N#CCC1=CC=C(C(=O)O)C=C1 065659 [0,2,0,0,0,0|1,0,1]=4 1014 B12R1.113 NCCC1=CC=C(C(=O)O)C=C1 217672 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.113 NCCC1=CC=C(C(=O)O)C=C1 220391 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 092133 [0,2,0,0,0,0|1,0,1]=4 1017 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 044550 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.113 O=C(O)C1=CC=C(CCCl)C=C1 494142 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.113 O=[N+]([O-])C1=CC=C(CCBr)C=C1 019260 [0,2,0,0,0,0|1,0,1]=4 1020 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 092226 [0,2,0,0,0,0|1,0,1]=4 1021 B12R1.116 CCOC1=CC=C(CC#N)C=C1 002561 [0,2,0,0,0,0|1,0,1]=4 1022 B12R1.116 CCOC1=CC=C(CCN)C=C1 138602 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.116 CCOC1=CC=C(N=C=S)C=C1 002562 [0,2,0,0,0,0|1,1,0]=4 1024 B12R1.116 CCOC1=CC=C(OCC)C=C1 226546 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 018290 [0,2,0,0,0,0|1,0,1]=4 1026 B12R1.288 COC1=C(Br)C=C(CCN)C=C1 050727 [0,2,0,0,0,0|1,0,0]=3 1027 B12R1.288 COC1=C(Br)C=C(CCO)C=C1 104711 [0,2,0,0,0,0|1,0,0]=3 1028 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 050295 [0,2,0,0,0,0|0,0,2]=4 1029 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 146405 [0,2,0,0,0,0|1,0,1]=4 1030 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 049114 [0,0,1,1,0,0|1,0,1]=4 1031 B10R2.31 BrC1=CC=C2CCC2=C1 079227 [1,0,0,1,0,0|1,0,0]=3 1032 B10R2.6 C1=CC=C(C2CC2)C=C1 049412 [1,0,0,1,0,0|0,0,0]=2 1033 B10R2.6 C1=CC=C(C2CO2)C=C1 227689 [1,0,0,1,0,0|1,0,0]=3 1034 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 221507 [1,0,0,1,0,0|1,0,0]=3 1035 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 223292 [1,0,0,1,0,0|1,0,0]=3 1036 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [1,0,0,1,0,0|0,0,2]=4 1037 B10R2.7 C1=CC2=C(C=C1)CCC2 046831 [1,0,0,1,0,0|0,0,0]=2 1038 B10R2.7 C1=CC=C2CNCC2=C1 041927 [1,0,0,1,0,0|1,0,0]=3 1039 B10R2.7 C1=CC=C2NCCC2=C1 068790 [1,0,0,1,0,0|1,0,0]=3 1040 B10R2.7 C1=CC=C2OCCC2=C1 017117 [1,0,0,1,0,0|1,0,0]=3 1041 B10R2.7 C1=CC=C2OCOC2=C1 022089 [1,0,0,1,0,0|2,0,0]=4 1042 B10R2.7 C1=CN=C2CCCC2=C1 075302 [1,0,0,1,0,0|1,0,0]=3 1043 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 077414 [0,1,0,1,0,0|1,0,0]=3 1044 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 076472 [0,1,0,1,0,0|1,0,0]=3 1045 B12R2.24 BrC1=CC=C2NCCOC2=C1 079243 [0,1,0,1,0,0|2,0,0]=4 1046 B12R2.24 CC1=CC=C2NCCCC2=C1 431465 [0,1,0,1,0,0|1,0,0]=3 1047 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 231154 [0,1,0,1,0,0|1,0,0]=3 1048 B12R2.24 NC1=CC2=C(C=C1)OCCO2 008859 [0,1,0,1,0,0|2,0,0]=4 1049 B12R2.24 OC1=CC=C2CCCCC2=C1 078989 [0,1,0,1,0,0|0,0,0]=2 1050 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 037027 [0,1,0,1,0,0|1,0,1]=4 1051 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 032493 [0,1,0,1,0,0|1,0,1]=4 1052 B12R2.606 CC1=NC2=C(C=CC(O)=C2)S1 311950 [0,1,0,1,0,0|1,0,1]=4 1053 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 209032 [0,1,0,1,0,0|1,0,1]=4 1054 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 210797 [0,1,0,1,0,0|1,0,0]=3 1055 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 209071 [0,1,0,1,0,0|1,0,0]=3 1056 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 049740 [0,1,0,1,0,0|0,0,1]=3 1057 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 001726 [0,1,0,1,0,0|1,0,1]=4 1058 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 001148 [0,1,0,1,0,0|1,0,1]=4 1059 B12R2.612 O=C1CCC2=CC(F)=CC=C12 001181 [0,1,0,1,0,0|1,0,1]=4 1060 B12R2.612 O=C1COC2=CC(O)=CC=C12 069222 [0,1,0,1,0,0|1,0,1]=4 1061 B12R2.246 BrC1=CC(Br)=C2OCCC2=C1 024180 [0,1,0,1,0,0|2,0,0]=4 1062 B12R2.44 N#CC1=CC=C2OCCC2=C1 017492 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 005899 [0,1,0,1,0,0|1,0,1]=4 1064 B12R2.44 OCC1=CC2=C(C=C1)OCO2 008829 [0,1,0,1,0,0|2,0,0]=4 1065 B8R1.8 CCCC1=CC=CS1 003676 [1,0,0,0,1,0|1,0,0]=3 1066 B8R1.8 CNCC1=CC=CO1 226183 [1,0,0,0,1,0|2,0,0]=4 1067 B8R1.8 CNCC1=CC=CS1 065484 [1,0,0,0,1,0|2,0,0]=4 1068 B8R1.8 ClCCN1C=CC=C1 046765 [1,0,0,0,1,0|2,0,0]=4 1069 B8R1.8 NCCC1=CC=CS1 021380 [1,0,0,0,1,0|2,0,0]=4 1070 B8R1.8 OCCC1=CC=CS1 208753 [1,0,0,0,1,0|2,0,0]=4 1071 B8R1.8 OCCC1=CSC=C1 076012 [1,0,0,0,1,0|2,0,0]=4