0 B8R1.3 BrC1=CC=C(Br)C=C1 26734 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.3 BrC1=CC=C(Br)C=C1 29550 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 BrC1=CC=C(I)N=C1 25762 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 BrC1=CN=C(Br)C=C1 24773 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 BrC1=CN=C(Br)C=N1 29073 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 BrC1=CN=C(I)N=C1 32048 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.3 BrC1=NC=C(I)C=C1 25761 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 BrC1=NN=C(Br)C=C1 28238 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.3 CC1=CC=C(Cl)N=C1 28395 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.3 CC1=CC=C(F)C=C1 30018 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.3 CC1=CC=C(F)C=N1 31011 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.3 CC1=CC=C(N)C=N1 28425 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.3 CC1=CC=C(O)C=C1 02046 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.3 CC1=CC=C(S)N=C1 28655 [0,0,0,0,0,0|2,1,0]=3 14 B8R1.3 CC1=CC=[N+]([O-])C=C1 26997 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.3 CC1=CN=C(Br)C=C1 28196 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.3 CC1=CN=C(C)C=N1 29787 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.3 CC1=CN=C(F)C=C1 29327 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.3 CC1=CN=C(N)C=C1 16973 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.3 CC1=CN=C(N)C=N1 20422 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.3 CC1=CN=C(O)C=C1 28671 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.3 CC1=NC=C(Br)C=C1 16976 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.3 CC1=NC=C(Cl)C=C1 28861 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.3 CC1=NC=C(I)C=C1 29038 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.3 CC1=NC=C(O)C=C1 27039 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.3 ClC1=CC=C(Br)C=N1 28495 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.3 ClC1=CC=C(Br)N=C1 28243 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.3 ClC1=CC=C(Cl)C=C1 31165 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.3 ClC1=CC=C(I)C=N1 25903 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.3 ClC1=CC=C(I)N=C1 29018 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.3 ClC1=CN=C(Br)C=N1 26258 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.3 ClC1=CN=C(Cl)C=C1 27007 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.3 ClC1=CN=C(Cl)C=C1 28912 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.3 ClC1=NC=C(I)C=N1 24348 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.3 FC1=CC=C(Br)C=C1 30412 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.3 FC1=CC=C(Br)N=C1 28247 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.3 FC1=CC=C(Cl)C=N1 28844 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.3 FC1=CN=C(Br)N=C1 26305 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.3 FC1=CN=C(Cl)C=C1 28720 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.3 FC1=NC=C(I)C=C1 28716 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.3 IC1=CC=C(I)C=C1 26770 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.3 IC1=CC=C(I)N=C1 28251 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.3 NC1=CC=C(Br)C=C1 29844 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.3 NC1=CC=C(Br)N=C1 28526 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.3 NC1=CC=C(F)N=C1 17046 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.3 NC1=CC=C(I)C=C1 27150 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.3 NC1=CC=C(I)C=N1 25748 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.3 NC1=CC=C(I)N=C1 25750 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.3 NC1=CC=C(O)C=N1 29569 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.3 NC1=CN=C(Br)C=N1 17087 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.3 NC1=CN=C(Cl)C=C1 25555 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.3 NC1=CN=C(Cl)N=C1 26196 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.3 NC1=CN=C(N)C=C1 27586 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.3 NC1=CNC(=O)C=C1 29435 [0,0,0,0,0,0|2,0,1]=3 54 B8R1.3 NC1=NC=C(Br)C=C1 27033 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.3 NC1=NC=C(Cl)C=C1 27034 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.3 NC1=NC=C(F)C=N1 29344 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.3 NC1=NC=C(O)C=C1 17752 [0,0,0,0,0,0|2,0,0]=2 58 B8R1.3 O=C1C=CC(=O)NN1 01495 [0,0,0,0,0,0|2,0,2]=4 59 B8R1.3 OC1=CC=C(Br)C=N1 25760 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.3 OC1=CC=C(Cl)N=C1 28255 [0,0,0,0,0,0|2,0,0]=2 61 B8R1.3 OC1=CC=C(F)C=C1 31762 [0,0,0,0,0,0|1,0,0]=1 62 B8R1.3 OC1=CC=C(F)C=N1 29416 [0,0,0,0,0,0|2,0,0]=2 63 B8R1.3 OC1=CN=C(Br)C=C1 28860 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.3 OC1=NC=C(Cl)C=C1 27022 [0,0,0,0,0,0|2,0,0]=2 65 B8R1.3 OC1=NC=C(Cl)C=N1 10645 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.3 OC1=NC=C(I)C=C1 25749 [0,0,0,0,0,0|2,0,0]=2 67 B7R1.3 BrC1=CC=CN=C1 27044 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.3 BrC1=CC=CN=C1 29560 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.3 BrC1=CC=NC=C1 28252 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.3 BrC1=NC=CC=C1 30363 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 CC1=CC=CC=C1 01740 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.3 CC1=CC=CC=C1 30234 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.3 CC1=CC=CN=C1 27052 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 CC1=CC=NC=C1 29179 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 CC1=NC=CC=C1 27038 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.3 CC1=NC=CN=C1 31194 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.3 ClC1=CC=CN=C1 27046 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.3 ClC1=CC=NC=C1 27337 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.3 ClC1=NC=CC=C1 32073 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.3 ClC1=NC=CC=N1 26977 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.3 ClC1=NN=CC=C1 26208 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.3 FC1=CC=CN=C1 27045 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.3 FC1=NC=CC=C1 27001 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.3 IC1=CC=CC=N1 30769 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.3 IC1=CC=CN=C1 22280 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.3 NC1=CC=NC=C1 27983 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 NC1=CC=NN=C1 20858 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.3 NC1=CN=CN=C1 19494 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.3 NC1=NC=CC=C1 27027 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.3 NC1=NC=CN=C1 24511 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 O=C1C=CNC=N1 27537 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.3 OC1=CC=CN=C1 02324 [1,0,0,0,0,0|1,0,0]=2 93 B7R1.3 OC1=NC=CC=C1 02323 [1,0,0,0,0,0|1,0,0]=2 94 B7R1.3 OC1=NC=CC=N1 28592 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.3 SC1=NC=CC=C1 12993 [1,0,0,0,0,0|1,1,0]=3 96 B7R1.3 SC1=NC=CC=N1 26978 [1,0,0,0,0,0|2,1,0]=4 97 B7R1.3 [O-][N+]1=CC=CC=C1 26988 [1,0,0,0,0,0|1,0,1]=3 98 B7R1.3 [SiH3]C1=CC=CC=C1 31483 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.1 C#CC1=CC=C(N)C=C1 28132 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.1 CC1=CC=C(CO)C=C1 15163 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.1 CC1=CN=C(C#N)C=C1 28914 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.1 CC1=NC=C(C#N)C=C1 27540 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.1 CNC1=CC=C(O)C=C1 32029 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.1 COC1=CC=C(Br)C=C1 30359 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.1 COC1=CC=C(Br)C=N1 28496 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.1 COC1=CC=C(C)C=C1 27173 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.1 COC1=CC=C(C)C=N1 29129 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.1 COC1=CC=C(C)N=C1 29217 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.1 COC1=CC=C(F)C=C1 30024 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.1 COC1=CC=C(I)C=N1 29054 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.1 COC1=CC=C(I)N=C1 10588 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.1 COC1=CC=C(N)N=C1 26213 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.1 COC1=CC=[N+]([O-])C=C1 26996 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.1 COC1=CN=C(Cl)C=C1 28971 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.1 COC1=CN=C(N)C=N1 26326 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.1 COC1=NC=C(Cl)C=C1 19104 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.1 COC1=NC=C(N)C=C1 27019 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.1 COC1=NN=C(N)C=C1 31171 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.1 ClCC1=CN=C(Cl)C=C1 27917 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.1 N#CC1=CC=C(Br)C=N1 25758 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.1 N#CC1=CC=C(Br)N=C1 17045 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.1 N#CC1=CC=C(Cl)N=C1 27882 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.1 N#CC1=CC=C(N)C=N1 28683 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.1 N#CC1=CC=[N+]([O-])C=C1 26994 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.1 N#CC1=CN=C(N)C=C1 27932 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.1 N#CC1=CN=C(O)C=C1 29306 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.1 N#CC1=NC=C(Cl)C=C1 28788 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.1 NC1=CC=C(CCl)N=C1 29166 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.1 NC1=CC=C(CO)C=C1 29757 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.1 NCC1=CC=C(Br)N=C1 19332 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.1 NCC1=CC=C(O)C=C1 17203 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.1 NNC1=CC=C(F)C=C1 31299 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [0,1,0,0,0,0|1,0,1]=3 139 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [0,1,0,0,0,0|1,0,1]=3 140 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [0,1,0,0,0,0|1,0,1]=3 141 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [0,1,0,0,0,0|0,0,1]=2 142 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [0,1,0,0,0,0|0,0,2]=3 143 B9R1.1 O=CC1=CN=C(Br)C=C1 31251 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.1 O=CC1=CN=C(Cl)C=C1 31273 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.1 OCC1=CC=C(F)C=C1 30025 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.1 OCC1=CC=C(O)C=C1 00198 [0,1,0,0,0,0|0,0,0]=1 148 B9R1.1 OCC1=CN=C(Br)C=C1 17561 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.1 OCC1=NC=C(Cl)C=C1 26335 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 BrC1=CC(Br)=C(Br)N=C1 28242 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.69 BrC1=CC(I)=C(Br)C=C1 30841 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.69 CC1=C(Br)C=C(Br)C=N1 26111 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.69 CC1=C(Br)C=C(Cl)C=N1 29372 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.69 CC1=C(Br)C=C(N)C=N1 29069 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.69 CC1=C(Br)C=CC(Br)=N1 28933 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.69 CC1=C(Br)C=CC(O)=N1 28764 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.69 CC1=C(Br)C=NC(Br)=C1 28275 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.69 CC1=C(Br)C=NC(Cl)=C1 28770 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.69 CC1=C(Br)C=NC(N)=C1 28768 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.69 CC1=C(Br)C=NC(O)=C1 28771 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.69 CC1=C(Br)N=CC(Cl)=C1 28693 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.69 CC1=C(Br)N=CC(I)=C1 29162 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.69 CC1=C(Br)N=CC(N)=C1 28701 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.69 CC1=C(C)N=C(N)C=C1 28911 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 CC1=C(C)N=CC(Br)=C1 29341 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 CC1=C(Cl)N=C(N)C=C1 29400 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 28704 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.69 CC1=C(Cl)N=CC(I)=C1 29158 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.69 CC1=C(I)C=C(N)C=C1 27676 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.69 CC1=C(I)C=CC(Br)=N1 29310 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.69 CC1=C(I)C=CC(Cl)=N1 29160 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.69 CC1=C(I)C=CC(N)=N1 28878 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.69 CC1=C(N)C=CC(I)=C1 30827 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.69 CC1=C(N)C=CC(N)=C1 17451 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.69 CC1=C(N)C=CC(N)=N1 28765 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.69 CC1=C(N)C=NC(N)=C1 28772 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.69 CC1=C(O)C=C(Cl)C=C1 27750 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.69 CC1=C(O)C=CC(Cl)=C1 26818 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.69 CC1=C(O)C=CC(O)=C1 30342 [0,1,0,0,0,0|0,0,0]=1 180 B9R1.69 CC1=C(O)N=CC(Br)=C1 28767 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.69 CC1=CC(Br)=C(C)N=C1 28268 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 28553 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.69 CC1=CC(Br)=C(N)N=C1 27806 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.69 CC1=CC(Br)=C(O)C=C1 26805 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.69 CC1=CC(Br)=C(O)N=C1 28793 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.69 CC1=CC(Br)=CN=C1Br 28593 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.69 CC1=CC(Br)=NC=C1N 29096 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.69 CC1=CC(C)=C(Br)C=N1 29242 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.69 CC1=CC(C)=C(Br)N=C1 28269 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.69 CC1=CC(Cl)=C(Br)N=C1 29232 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.69 CC1=CC(Cl)=C(Cl)N=C1 29132 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.69 CC1=CC(Cl)=CN=C1N 27936 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.69 CC1=CC(Cl)=NC=C1Cl 29036 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.69 CC1=CC(Cl)=NC=C1N 28769 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.69 CC1=CC(F)=CN=C1Br 26306 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.69 CC1=CC(F)=CN=C1Cl 28884 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.69 CC1=CC(I)=C(Br)N=C1 29161 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.69 CC1=CC(I)=C(N)N=C1 29156 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.69 CC1=CC(I)=C(O)N=C1 29164 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.69 CC1=CC(I)=CN=C1N 28604 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.69 CC1=CC(I)=CN=C1O 28834 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.69 CC1=CC(N)=C(Br)C=N1 29016 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.69 CC1=CC(N)=C(Cl)N=C1 28766 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.69 CC1=CC(N)=NC=C1Cl 28939 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.69 CC1=CC(N)=NC=C1I 28945 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.69 CC1=CC(O)=CC=C1Br 27863 [0,1,0,0,0,0|1,0,0]=2 207 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 28709 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.69 CC1=CC=C(Br)C(I)=C1 29060 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.69 CC1=CC=C(Br)C(N)=C1 17974 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.69 CC1=CC=C(Br)C(N)=N1 28707 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.69 CC1=CC=C(Br)C(O)=N1 28708 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.69 CC1=CC=C(Br)C=C1C 12975 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.69 CC1=CC=C(Br)C=[N+]1[O-] 28261 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.69 CC1=CC=C(Br)N=C1Br 28804 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.69 CC1=CC=C(C)C(Br)=N1 29362 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 27858 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.69 CC1=CC=C(F)C=C1Cl 31163 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.69 CC1=CC=C(F)C=C1N 21901 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.69 CC1=CC=C(I)C(Br)=C1 27860 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.69 CC1=CC=C(N)C(Cl)=N1 28706 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.69 CC1=CC=C(N)C(F)=N1 17334 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.69 CC1=CC=C(N)C(I)=C1 28728 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.69 CC1=CC=C(O)C(I)=N1 27012 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.69 CC1=CC=C(O)C=C1Br 29091 [0,1,0,0,0,0|1,0,0]=2 225 B9R1.69 CC1=CN=C(Br)C(N)=C1 29097 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.69 CC1=CN=C(C)C(C)=C1 31937 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.69 CC1=CN=C(Cl)C(C)=C1 29361 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.69 CC1=CN=C(Cl)C=C1Cl 26266 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.69 CC1=CN=C(F)C(I)=C1 28718 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.69 CC1=CN=C(F)C=C1I 28715 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.69 CC1=CN=C(N)C(C)=C1 29283 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.69 CC1=CN=C(O)N=C1N 01486 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.69 CC1=NC(Br)=C(F)C=C1 28692 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.69 CC1=NC(Br)=C(N)C=C1 28699 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.69 CC1=NC(Br)=CC=C1F 28694 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.69 CC1=NC(C)=C(Br)C=C1 28278 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.69 CC1=NC(C)=C(N)C=C1 28532 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.69 CC1=NC(Cl)=C(Cl)C=C1 29229 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.69 CC1=NC(Cl)=CC=C1Br 29037 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.69 CC1=NC(Cl)=CC=C1Cl 28394 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.69 CC1=NC(Cl)=CC=C1N 28711 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.69 CC1=NC(N)=CC=C1Cl 29183 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.69 CC1=NC(O)=CC=C1I 29163 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.69 CC1=NC=C(Br)C=C1Cl 29147 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.69 CC1=NC=C(Br)C=C1N 29148 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.69 ClC1=C(Br)C=C(Br)C=N1 28241 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.69 ClC1=C(Cl)N=CC(Br)=C1 28837 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.69 ClC1=CC(Br)=C(Cl)N=C1 28967 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.69 ClC1=CC(Cl)=C(Br)N=C1 28240 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.69 ClC1=CC(I)=C(Cl)N=C1 29155 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 27623 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.69 ClC1=NC(Cl)=C(Br)C=C1 29001 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.69 FC1=CC(Br)=CN=C1Cl 28740 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.69 FC1=CC(Cl)=CN=C1Br 26352 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.69 FC1=CC(I)=C(Cl)C=N1 28848 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.69 FC1=NC=C(Cl)C=C1Cl 28829 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.69 NC1=C(Br)C=C(Br)C=C1 27131 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.69 NC1=C(Br)C=C(Cl)C=N1 28448 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.69 NC1=C(Br)C=C(F)C=N1 26161 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.69 NC1=C(Br)C=NC(Cl)=C1 29159 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.69 NC1=C(Br)N=C(Cl)C=C1 29330 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.69 NC1=C(Br)N=CC(Cl)=C1 29021 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.69 NC1=C(Cl)C=C(I)C=C1 27507 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.69 NC1=C(F)C=C(Br)C=C1 24974 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.69 NC1=C(F)C=CC(Br)=C1 29748 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.69 NC1=C(I)C=CC(Cl)=C1 17354 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.69 NC1=CC(Br)=C(N)N=C1 28762 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.69 NC1=CC(Br)=CC=C1O 28279 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.69 NC1=CC(Br)=CN=C1Br 29181 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.69 NC1=CC(Br)=CN=C1Cl 28638 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.69 NC1=CC(Br)=CN=C1N 29224 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.69 NC1=CC(Br)=CN=C1O 28801 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.69 NC1=CC(Cl)=C(F)C=C1 21867 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.69 NC1=CC(Cl)=CN=C1Cl 28193 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.69 NC1=CC(Cl)=CN=C1O 29454 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.69 NC1=CC(F)=CC=C1O 24900 [0,1,0,0,0,0|1,0,0]=2 277 B9R1.69 NC1=CC(F)=CN=C1N 29077 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.69 NC1=CC=C(Br)N=C1Br 27927 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.69 NC1=CC=C(Br)N=C1N 26339 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.69 NC1=CC=C(Br)N=C1O 18861 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.69 NC1=CC=C(Cl)N=C1Cl 27475 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.69 NC1=CN=C(Br)C(Cl)=C1 29222 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.69 NC1=CN=C(Cl)C(Br)=C1 28799 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.69 NC1=CN=C(Cl)C(Cl)=C1 28800 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.69 NC1=CN=C(Cl)C(N)=C1 29208 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.69 NC1=CN=C(Cl)C=C1Cl 17694 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.69 NC1=NC=C(Br)C=C1Br 27539 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.69 NC1=NC=C(Br)C=C1Cl 29314 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.69 NC1=NC=C(Br)C=C1O 29190 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.69 NC1=NC=C(Cl)C=C1Cl 27028 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.69 NC1=NC=C(Cl)C=C1F 29248 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.69 NC1=NC=C(Cl)C=C1I 29039 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.69 NC1=NC=C(O)C=C1Cl 29220 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.69 O=C1NC=C(Br)C=C1Cl 28893 [0,1,0,0,0,0|2,0,1]=4 295 B9R1.69 O=C1NC=C(Cl)C=C1Br 29489 [0,1,0,0,0,0|2,0,1]=4 296 B9R1.69 OC1=C(Br)C=C(Br)C=C1 26804 [0,1,0,0,0,0|1,0,0]=2 297 B9R1.69 OC1=C(Br)C=C(F)C=C1 25759 [0,1,0,0,0,0|1,0,0]=2 298 B9R1.69 OC1=CC=C(I)C=C1F 26368 [0,1,0,0,0,0|1,0,0]=2 299 B9R1.69 OC1=CN=C(Cl)C(F)=C1 28739 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.69 OC1=NC=C(Br)C=C1Br 27482 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.69 OC1=NC=C(Cl)C=C1Cl 27919 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.6 O=C(O)\C=C/C(=O)O 01181 [0,0,1,0,0,0|2,0,0]=3 303 B7R1.2 O=C1C=CC(=O)O1 02328 [0,0,0,0,1,0|1,0,2]=4 304 B6R1.1 C1=CC=NC=C1 00762 [2,0,0,0,0,0|1,0,0]=3 305 B6R1.1 C1=CC=NC=C1 02006 [2,0,0,0,0,0|1,0,0]=3 306 B6R1.1 C1=CC=NC=C1 14289 [2,0,0,0,0,0|1,0,0]=3 307 B6R1.1 C1=CC=NC=C1 16894 [2,0,0,0,0,0|1,0,0]=3 308 B6R1.1 C1=CC=NC=C1 27333 [2,0,0,0,0,0|1,0,0]=3 309 B6R1.1 C1=CC=NC=C1 29993 [2,0,0,0,0,0|1,0,0]=3 310 B8R1.2 BrCC1=CC=CC=C1 00332 [1,1,0,0,0,0|1,0,0]=3 311 B8R1.2 C#CC1=CC=CC=C1 24540 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.2 CC[N+]1=CC=CC=C1 31419 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.2 CNC1=CN=CC=C1 18208 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.2 COC1=CC=CC=C1 02045 [1,1,0,0,0,0|0,0,0]=2 315 B8R1.2 COC1=CC=NC=C1 28387 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.2 COC1=NC=CC=C1 27017 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.2 ClCC1=CC=CN=C1 06928 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.2 ClCC1=CC=NC=C1 06929 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.2 ClCC1=NC=CC=C1 06927 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.2 N#CC1=CC=CC=C1 27352 [1,1,0,0,0,0|1,0,0]=3 321 B8R1.2 N#CC1=CC=NC=C1 27057 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.2 NCC1=CC=CC=C1 29916 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.2 NCC1=CC=CN=C1 27056 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.2 NCC1=CC=NC=C1 27066 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.2 NCC1=CC=NC=C1 28201 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.2 NNC1=CC=CC=C1 02348 [1,1,0,0,0,0|1,0,0]=3 327 B8R1.2 O=CC1=CC=NC=C1 07252 [1,1,0,0,0,0|1,0,1]=4 328 B8R1.2 O=CC1=NC=CC=C1 02023 [1,1,0,0,0,0|1,0,1]=4 329 B8R1.2 OCC1=CC=CC=C1 00371 [1,1,0,0,0,0|0,0,0]=2 330 B8R1.2 OCC1=CC=CN=C1 27054 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.2 OCC1=CC=CN=N1 26187 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.2 OCC1=CC=NC=C1 12966 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.2 OCC1=CN=CN=C1 26173 [1,1,0,0,0,0|2,0,0]=4 334 B8R1.4 BrC1=CC(Br)=NC=C1 28828 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.4 BrC1=CC=CC(Br)=C1 26732 [1,1,0,0,0,0|1,0,0]=3 336 B8R1.4 BrC1=CN=CC(Br)=C1 27383 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.4 BrC1=CN=CC(I)=C1 28668 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.4 BrC1=NC=CC(I)=C1 28666 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.4 CC1=CC(Br)=CC=N1 17038 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.4 CC1=CC(Br)=NC=C1 27873 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.4 CC1=CC(N)=CC=N1 28156 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.4 CC1=CC(O)=CC=C1 03571 [1,1,0,0,0,0|0,0,0]=2 343 B8R1.4 CC1=CC(O)=CN=C1 28367 [1,1,0,0,0,0|1,0,0]=3 344 B8R1.4 CC1=CC=CC(=O)N1 28328 [1,1,0,0,0,0|1,0,1]=4 345 B8R1.4 CC1=CC=CC(Br)=N1 27580 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.4 CC1=CC=CC(C)=N1 00800 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.4 CC1=CC=CC(Cl)=N1 27011 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.4 CC1=CC=CC(F)=C1 30020 [1,1,0,0,0,0|1,0,0]=3 349 B8R1.4 CC1=CC=CC(F)=N1 27601 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.4 CC1=CC=CC(I)=C1 26769 [1,1,0,0,0,0|1,0,0]=3 351 B8R1.4 CC1=CC=CC(N)=N1 27037 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.4 CC1=CC=C[N+]([O-])=C1 26993 [1,1,0,0,0,0|1,0,1]=4 353 B8R1.4 CC1=CC=NC(O)=C1 27954 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.4 CC1=CN=CC(Br)=C1 17060 [1,1,0,0,0,0|2,0,0]=4 355 B8R1.4 CC1=CN=CC(C)=C1 27053 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.4 CC1=CN=CC(Cl)=C1 28865 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.4 CC1=CN=CC(F)=C1 17150 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.4 CC1=CN=CC(N)=C1 17044 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.4 CC1=CN=CC(N)=C1 29247 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.4 CC1=NC=CC(Cl)=C1 27551 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.4 ClC1=CC(Br)=CC=C1 30362 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.4 ClC1=CC(Br)=NC=C1 28806 [1,1,0,0,0,0|2,0,0]=4 363 B8R1.4 ClC1=CC(Cl)=NC=C1 28447 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.4 ClC1=CC=CC(Br)=N1 28148 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.4 ClC1=CC=CC(Cl)=N1 27010 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.4 ClC1=CN=CC(Br)=C1 28866 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.4 ClC1=CN=CC(Cl)=C1 27047 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.4 ClC1=NC=CC(Br)=C1 28805 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.4 ClC1=NC=CC(I)=C1 28566 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.4 FC1=CC(Br)=NC=C1 26279 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.4 FC1=CC(I)=CC=N1 28675 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.4 FC1=CC=CC(Br)=N1 28712 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.4 FC1=CN=CC(Br)=C1 28847 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.4 NC1=CC(Br)=CC=C1 27143 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.4 NC1=CC(Br)=CC=N1 17206 [1,1,0,0,0,0|2,0,0]=4 376 B8R1.4 NC1=CC(Cl)=NC=C1 16972 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.4 NC1=CC(F)=NC=C1 17653 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.4 NC1=CC(O)=CN=C1 19077 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.4 NC1=CC=CC(Br)=N1 24610 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.4 NC1=CC=CC(Cl)=N1 28256 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.4 NC1=CC=CC(N)=C1 27147 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.4 NC1=CC=CC(N)=N1 27036 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.4 NC1=CC=NC(Br)=C1 28521 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.4 NC1=CC=NC(O)=C1 18971 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.4 NC1=CN=CC(Br)=C1 17002 [1,1,0,0,0,0|2,0,0]=4 386 B8R1.4 NC1=CN=CC(Cl)=C1 17737 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.4 NC1=CN=CC(F)=C1 31748 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.4 NC1=NC(F)=CC=C1 17512 [1,1,0,0,0,0|2,0,0]=4 389 B8R1.4 NC1=NC=CC(Cl)=C1 17039 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.4 NC1=NC=CC(Cl)=C1 29410 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.4 NC1=NC=CC(O)=C1 17441 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.4 O=C1C=C(Br)C=CN1 29326 [1,1,0,0,0,0|1,0,1]=4 393 B8R1.4 OC1=CC(O)=NC=N1 27415 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.4 OC1=CC=CC(O)=C1 30180 [1,1,0,0,0,0|0,0,0]=2 395 B8R1.4 OC1=CC=NC(Cl)=C1 28524 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.4 OC1=CN=CC(Br)=C1 28369 [1,1,0,0,0,0|1,0,0]=3 397 B8R1.4 OC1=NC(Cl)=CC=C1 28450 [1,1,0,0,0,0|1,0,0]=3 398 B8R1.4 OC1=NC=CC(S)=N1 21484 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 17678 [1,1,0,0,0,0|1,0,1]=4 400 B8R1.5 BrC1=C(Br)C=CC=C1 26731 [1,1,0,0,0,0|1,0,0]=3 401 B8R1.5 BrC1=C(Br)C=CC=C1 29549 [1,1,0,0,0,0|1,0,0]=3 402 B8R1.5 BrC1=C(Br)N=CC=C1 28249 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.5 BrC1=C(I)C=CC=C1 26767 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.5 BrC1=CC=NC=C1Br 28250 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.5 CC1=C(Br)C=CC=N1 17037 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.5 CC1=C(Br)N=CC=C1 28290 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.5 CC1=C(Cl)C=CC=N1 28853 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.5 CC1=C(Cl)N=CC=C1 28262 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.5 CC1=C(F)C=CC=C1 30019 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.5 CC1=C(F)C=NC=C1 28867 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.5 CC1=C(N)C=CC=N1 17034 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.5 CC1=CC=CN=C1F 27598 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.5 CC1=CC=CN=C1I 28830 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.5 CC1=CC=CN=C1N 27031 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.5 CC1=CC=CN=C1O 27920 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.5 CC1=CN=CC=C1Br 17700 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.5 CC1=CN=CC=C1Br 28527 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.5 CC1=CN=CC=C1N 28541 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.5 CC1=NC=CC=C1F 29136 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.5 CC1=NC=CC=C1I 29187 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.5 CC1=[N+]([O-])C=CC=C1 26990 [1,1,0,0,0,0|1,0,1]=4 422 B8R1.5 C[N+]1=C(Cl)C=CC=C1 04881 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.5 ClC1=C(Br)C=CC=C1 30431 [1,1,0,0,0,0|1,0,0]=3 424 B8R1.5 ClC1=C(Br)C=CC=N1 28244 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.5 ClC1=C(Br)N=CC=C1 28827 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.5 ClC1=C(Cl)C=NC=C1 28567 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.5 ClC1=C(I)C=CC=N1 28368 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.5 ClC1=CC=CN=C1Cl 27002 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.5 ClC1=CC=NC=C1Br 28245 [1,1,0,0,0,0|2,0,0]=4 430 B8R1.5 ClC1=CN=CC=C1Br 24033 [1,1,0,0,0,0|2,0,0]=4 431 B8R1.5 FC1=C(Br)C=CC=C1 30361 [1,1,0,0,0,0|1,0,0]=3 432 B8R1.5 FC1=C(Br)C=CC=N1 28839 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.5 FC1=CC=CN=C1Br 28855 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.5 FC1=CC=CN=C1Cl 28717 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.5 FC1=CC=NC=C1Cl 28887 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.5 FC1=NC=CC=C1Cl 28856 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.5 FC1=NC=CC=C1I 28713 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.5 NC1=C(Br)C=CC=C1 27130 [1,1,0,0,0,0|1,0,0]=3 439 B8R1.5 NC1=C(Br)N=CC=C1 17019 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.5 NC1=C(Cl)C=CC=N1 17023 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.5 NC1=C(Cl)C=NC=C1 17261 [1,1,0,0,0,0|2,0,0]=4 442 B8R1.5 NC1=C(F)C=CC=C1 27132 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.5 NC1=C(I)C=CC=N1 28533 [1,1,0,0,0,0|2,0,0]=4 444 B8R1.5 NC1=C(N)C=CC=C1 31478 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.5 NC1=C(O)C=CN=C1 17149 [1,1,0,0,0,0|1,0,0]=3 446 B8R1.5 NC1=C(O)C=NC=C1 26270 [1,1,0,0,0,0|1,0,0]=3 447 B8R1.5 NC1=CC=CN=C1Cl 16971 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.5 NC1=CC=CN=C1F 17335 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.5 NC1=CC=CN=C1I 29050 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.5 NC1=CC=CN=C1N 24516 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.5 NC1=CC=CN=C1O 28734 [1,1,0,0,0,0|1,0,0]=3 452 B8R1.5 NC1=CC=NC=C1Br 28582 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.5 NC1=CC=NC=C1F 28257 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.5 NC1=CN=CC=C1Br 18983 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.5 NC1=CN=CC=C1Cl 17040 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.5 NC1=CN=CC=C1I 17273 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.5 NC1=CN=CN=C1O 26403 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.5 NC1=NC=CC=C1Br 28705 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.5 NC1=NC=CC=C1F 18902 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.5 NC1=NC=CC=C1O 16974 [1,1,0,0,0,0|1,0,0]=3 461 B8R1.5 O=C1NC=CC=C1Cl 29245 [1,1,0,0,0,0|1,0,1]=4 462 B8R1.5 OC1=C(I)N=CC=C1 27478 [1,1,0,0,0,0|1,0,0]=3 463 B8R1.5 OC1=C(O)C=CC=C1 00500 [1,1,0,0,0,0|0,0,0]=2 464 B8R1.5 OC1=CC=CN=C1Br 26999 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.5 OC1=CC=CN=C1Cl 27006 [1,1,0,0,0,0|1,0,0]=3 466 B8R1.5 OC1=NC=CC=C1Br 28737 [1,1,0,0,0,0|1,0,0]=3 467 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 27938 [1,1,0,0,0,0|1,0,1]=4 468 B8R1.5 [O-][N+]1=C(S)C=CC=C1 26989 [1,1,0,0,0,0|1,0,1]=4 469 B8R1.5 [O-][N+]1=CC=CC=C1O 00785 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.1 CCOC1=CC=C(Br)C=N1 25744 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.1 CCOC1=CC=C(N)C=N1 28529 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.1 FC1=CC=C(N=C=S)C=C1 26922 [0,2,0,0,0,0|1,1,0]=4 475 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [0,2,0,0,0,0|1,0,0]=3 479 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [0,2,0,0,0,0|1,0,1]=4 480 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [0,2,0,0,0,0|1,0,1]=4 481 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.3 CCC1=CC=C(NN)C=C1 17133 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.3 COC1=CC=C(C#N)C=C1 31327 [0,2,0,0,0,0|1,0,0]=3 484 B10R1.3 COC1=CC=C(C#N)C=N1 27884 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.3 COC1=CC=C(C=O)C=C1 24468 [0,2,0,0,0,0|0,0,1]=3 486 B10R1.3 COC1=CC=C(CCl)C=C1 00213 [0,2,0,0,0,0|1,0,0]=3 487 B10R1.3 COC1=CC=C(CO)C=C1 00699 [0,2,0,0,0,0|0,0,0]=2 488 B10R1.3 COC1=CC=C(NN)C=C1 21957 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.3 N#CC1=CC=C(C=O)C=C1 26879 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.3 N#CC1=CC=C(CBr)C=C1 06739 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.3 N#CC1=CC=C(CCl)C=C1 31253 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.3 N#CC1=CC=C(CN)C=C1 28564 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.3 NCC1=CC=C(CO)C=C1 17557 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.3 [C-]#[N+]C1=CC=C(C#N)C=C1 29724 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [0,2,0,0,0,0|1,0,1]=4 496 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [0,2,0,0,0,0|1,0,1]=4 497 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [0,2,0,0,0,0|1,0,1]=4 498 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [0,2,0,0,0,0|1,0,1]=4 499 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [0,2,0,0,0,0|0,0,1]=3 500 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.13 CC1=CC=C(B(O)O)C=C1 30418 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [0,2,0,0,0,0|1,0,0]=3 512 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [0,2,0,0,0,0|1,0,1]=4 517 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [0,2,0,0,0,0|0,0,1]=3 518 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [0,2,0,0,0,0|1,1,0]=4 519 B10R1.13 NC1=CC=C(B(O)O)C=C1 26157 [0,2,0,0,0,0|1,0,0]=3 520 B10R1.13 NC1=CC=C(C(=O)O)C=C1 01431 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 01581 [0,2,0,0,0,0|1,0,1]=4 522 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 14327 [0,2,0,0,0,0|1,0,1]=4 523 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.13 NC1=NC=C(C(=O)O)C=C1 16981 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 31562 [0,2,0,0,0,0|1,0,0]=3 527 B10R1.13 O=C(O)C1=CC=C(F)C=C1 26837 [0,2,0,0,0,0|1,0,0]=3 528 B10R1.13 O=C(O)C1=CC=C(I)C=C1 04894 [0,2,0,0,0,0|1,0,0]=3 529 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 25743 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 27008 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 29559 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.13 O=C(O)C1=CN=C(O)C=C1 24512 [0,2,0,0,0,0|1,0,0]=3 533 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [0,2,0,0,0,0|0,0,1]=3 536 B10R1.13 O=C1C=CC(C(=O)O)=CO1 28092 [0,2,0,0,0,0|1,0,1]=4 537 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 31760 [0,2,0,0,0,0|1,0,1]=4 538 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 02340 [0,2,0,0,0,0|0,0,1]=3 539 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 24872 [0,2,0,0,0,0|1,0,1]=4 540 B10R1.13 OB(O)C1=CC=C(Br)C=C1 26800 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 27554 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.13 OB(O)C1=CC=C(F)C=C1 27553 [0,2,0,0,0,0|1,0,0]=3 543 B10R1.13 OB(O)C1=CC=C(O)C=C1 31431 [0,2,0,0,0,0|0,0,0]=2 544 B10R1.13 OB(O)C1=CN=C(Br)C=C1 16994 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 16980 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.13 OB(O)C1=CN=C(F)C=C1 28736 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.25 CC1=C(C#N)C=CC(Br)=C1 27604 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.25 CC1=C(C#N)C=CC(Cl)=C1 27646 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.25 CC1=C([N+]#N)C=CC(Cl)=C1 00410 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.25 CC1=CC(Br)=CC=C1CO 29345 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.25 CC1=CC(Cl)=CC=C1CO 28919 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.25 CC1=CC=C(C#N)C(Br)=C1 28110 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.25 CCC1=C(Br)C=C(N)C=C1 29476 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.25 COC1=C(Br)C=C(Br)C=C1 30389 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.25 COC1=C(Br)C=C(F)C=C1 27315 [0,2,0,0,0,0|1,0,0]=3 556 B10R1.25 COC1=C(C)C=C(N)C=N1 18141 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.25 COC1=C(I)C=C(Cl)C=C1 27716 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.25 COC1=CC=C(C)C=C1O 27589 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.25 COC1=CC=C(Cl)C=C1Br 27857 [0,2,0,0,0,0|1,0,0]=3 560 B10R1.25 COC1=CC=C(F)C=C1N 24899 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.25 COC1=CC=C(N)N=C1Br 26204 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.25 COC1=CC=C(S)C=C1F 28920 [0,2,0,0,0,0|0,1,0]=3 563 B10R1.25 COC1=NC=C(Br)C=C1Cl 28882 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.25 COC1=NC=C(Cl)C=C1Br 18880 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.25 COC1=NC=C(Cl)C=C1Cl 29397 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.25 COC1=NC=C(N)C=C1Br 28972 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.25 N#CC1=C(Br)C=C(F)C=C1 17010 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.25 N#CC1=C(F)C=C(Br)C=C1 24612 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 17031 [0,2,0,0,0,0|1,0,1]=4 570 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 31160 [0,2,0,0,0,0|1,0,1]=4 571 B10R1.25 O=CC1=CC=C(Br)C=C1O 31936 [0,2,0,0,0,0|1,0,1]=4 572 B10R1.176 CC1=C(Br)C=CC(C#N)=C1 27517 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.176 CC1=C(Br)C=CC(CO)=C1 29912 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.176 CC1=C(C)C=C(CN)C=C1 29260 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.176 CC1=CC(NN)=CC=C1Br 17832 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.176 CC1=CC=C(C#N)C=C1Br 28989 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.176 CC1=CC=C(CO)C=C1N 27832 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.176 COC1=CC(Br)=C(O)C=C1 17182 [0,2,0,0,0,0|0,0,0]=2 579 B10R1.176 COC1=CC(N)=C(Cl)C=C1 27675 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.176 COC1=CC(N)=C(O)C=C1 24931 [0,2,0,0,0,0|0,0,0]=2 581 B10R1.176 COC1=CC=C(N)C(C)=N1 28703 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.176 COC1=CC=C(N)C(Cl)=N1 29331 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.176 COC1=CC=C(N)C(N)=N1 28960 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.176 COC1=NC=C(N)C(C)=C1 29095 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.176 N#CC1=CC(F)=C(F)C=C1 31503 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.176 N#CC1=CC(O)=C(O)C=C1 27407 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.176 N#CC1=CC=C(N)C(N)=C1 28392 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.176 NNC1=CC(F)=C(F)C=C1 17093 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.176 O=C1C=C(CO)OC=C1O 21857 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 27427 [0,2,0,0,0,0|0,0,1]=3 591 B10R1.176 O=CC1=CC(F)=C(F)C=C1 27241 [0,2,0,0,0,0|1,0,1]=4 592 B10R1.176 O=CC1=CC(O)=C(I)C=C1 27912 [0,2,0,0,0,0|1,0,1]=4 593 B10R1.176 O=CC1=CC(O)=C(O)C=C1 21243 [0,2,0,0,0,0|0,0,1]=3 594 B10R1.22 CC1=CC(O)=C(C)C(C)=C1 02001 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.22 NC1=CC(Cl)=C(O)C(Cl)=C1 29826 [0,2,0,0,0,0|1,0,0]=3 596 B10R1.22 OC1=CC(F)=C(F)C(F)=C1 30452 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.30 CC1=C(C#N)C=C(N)C=C1 27456 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.30 CC1=CC(C#N)=C(N)C=C1 29491 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.30 CC1=CC=C(Br)C(C#N)=C1 29282 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.30 CC1=CC=C(Br)C=C1C#N 29074 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.30 CC1=CC=C(Cl)C=C1C#N 22472 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.30 CC1=CC=C(F)C=C1C#N 27615 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.30 CC1=CC=C(N)C(CO)=C1 27828 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.30 COC1=C(C)C=CC(I)=C1 28997 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.30 COC1=C(O)C=CC(C)=C1 29782 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.30 COC1=C(O)C=CC(C)=C1 29784 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.30 COC1=CC(Br)=CC=C1Cl 21663 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.30 COC1=CC(Cl)=CC=C1N 17703 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 24689 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 27984 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 26873 [0,2,0,0,0,0|1,0,0]=3 612 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 26874 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.30 O=CC1=CC(Cl)=CC=C1Cl 25960 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.118 CC1=CC(Br)=C(N)C=C1Cl 19992 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.118 NC1=C(Cl)C=C(Cl)C(O)=C1 17011 [0,2,0,0,0,0|1,0,0]=3 616 B10R1.118 OC1=C(Cl)C=C(Cl)C(Cl)=C1 02361 [0,2,0,0,0,0|1,0,0]=3 617 B10R1.119 CC1=C(O)C(Cl)=C(N)C=C1 17021 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.119 CC1=CC=C(C)C(O)=C1C 26807 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.119 NC1=C(O)C(F)=C(F)C=C1 28686 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.119 NC1=CC=C(Br)C(Cl)=C1Cl 23418 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.119 OC1=CC=C(Br)C(Cl)=C1Cl 23259 [0,2,0,0,0,0|1,0,0]=3 622 B6R1.2 BrC1=COC=C1 26940 [1,0,0,0,1,0|2,0,0]=4 623 B6R1.2 NC1=CC=CS1 28483 [1,0,0,0,1,0|2,0,0]=4