0 B7R1.3 BrC1=CC=CN=C1 27044 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1=CC=CN=C1 29560 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 BrC1=CC=NC=C1 28252 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 BrC1=NC=CC=C1 30363 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 CC1=CC=CC=C1 01740 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 CC1=CC=CC=C1 30234 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.3 CC1=CC=CN=C1 27052 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 CC1=CC=NC=C1 29179 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 CC1=NC=CC=C1 27038 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 CC1=NC=CN=C1 31194 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 ClC1=CC=CN=C1 27046 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 ClC1=CC=NC=C1 27337 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 ClC1=NC=CC=C1 32073 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 ClC1=NC=CC=N1 26977 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 ClC1=NN=CC=C1 26208 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 FC1=CC=CN=C1 27045 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 FC1=NC=CC=C1 27001 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 IC1=CC=CC=N1 30769 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 IC1=CC=CN=C1 22280 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 NC1=CC=NC=C1 27983 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 NC1=CC=NN=C1 20858 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.3 NC1=CN=CN=C1 19494 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 NC1=NC=CC=C1 27027 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 NC1=NC=CN=C1 24511 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.3 O=C1C=CCCC1 31546 [0,0,0,0,0,0|0,0,4]=4 25 B7R1.3 O=C1C=CNC=N1 27537 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.3 OC1=CC=CN=C1 02324 [0,0,0,0,0,0|1,0,0]=1 27 B7R1.3 OC1=NC=CC=C1 02323 [0,0,0,0,0,0|1,0,0]=1 28 B7R1.3 OC1=NC=CC=N1 28592 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.3 SC1=NC=CC=C1 12993 [0,0,0,0,0,0|1,1,0]=2 30 B7R1.3 SC1=NC=CC=N1 26978 [0,0,0,0,0,0|2,1,0]=3 31 B7R1.3 [O-][N+]1=CC=CC=C1 26988 [0,0,0,0,0,0|1,0,1]=2 32 B7R1.3 [SiH3]C1=CC=CC=C1 31483 [0,0,0,0,0,0|1,0,0]=1 33 B6R1.1 C1=CC=NC=C1 00762 [1,0,0,0,0,0|1,0,0]=2 34 B6R1.1 C1=CC=NC=C1 02006 [1,0,0,0,0,0|1,0,0]=2 35 B6R1.1 C1=CC=NC=C1 14289 [1,0,0,0,0,0|1,0,0]=2 36 B6R1.1 C1=CC=NC=C1 16894 [1,0,0,0,0,0|1,0,0]=2 37 B6R1.1 C1=CC=NC=C1 27333 [1,0,0,0,0,0|1,0,0]=2 38 B6R1.1 C1=CC=NC=C1 29993 [1,0,0,0,0,0|1,0,0]=2 39 B6R1.1 C1=NC=NC=N1 31505 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 BrCC1=CC=CC=C1 00332 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.2 C#CC1=CC=CC=C1 24540 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.2 CC[N+]1=CC=CC=C1 31419 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.2 CNC1=CN=CC=C1 18208 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.2 COC1=CC=CC=C1 02045 [0,1,0,0,0,0|0,0,0]=1 45 B8R1.2 COC1=CC=NC=C1 28387 [0,1,0,0,0,0|1,0,0]=2 46 B8R1.2 COC1=NC=CC=C1 27017 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.2 ClCC1=CC=CN=C1 06928 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.2 ClCC1=CC=NC=C1 06929 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 ClCC1=CN=CN=C1 24067 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.2 ClCC1=NC=CC=C1 06927 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.2 N#CC1=CC=CC=C1 27352 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.2 N#CC1=CC=NC=C1 27057 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.2 N#CC1=NC=CN=C1 27679 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.2 NCC1=CC=CC=C1 29916 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.2 NCC1=CC=CN=C1 27056 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.2 NCC1=CC=NC=C1 27066 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.2 NCC1=CC=NC=C1 28201 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.2 NCC1=CN=CC=N1 23715 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.2 NCC1=NC=CC=N1 18223 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.2 NCC1=NC=CC=N1 23716 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.2 NNC1=CC=CC=C1 02348 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.2 NNC1=CN=CC=N1 17541 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.2 NNC1=NC=CC=N1 25034 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.2 O=CC1=CC=NC=C1 07252 [0,1,0,0,0,0|1,0,1]=3 65 B8R1.2 O=CC1=CN=CN=C1 17090 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.2 O=CC1=NC=CC=C1 02023 [0,1,0,0,0,0|1,0,1]=3 67 B8R1.2 O=CC1=NC=CN=C1 17542 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.2 OCC1=CC=CC=C1 00371 [0,1,0,0,0,0|0,0,0]=1 69 B8R1.2 OCC1=CC=CN=C1 27054 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.2 OCC1=CC=CN=N1 26187 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 OCC1=CC=NC=C1 12966 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.2 OCC1=CN=CN=C1 26173 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.3 BrC1=CC=C(Br)C=C1 26734 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.3 BrC1=CC=C(Br)C=C1 29550 [0,1,0,0,0,0|1,0,0]=2 75 B8R1.3 BrC1=CC=C(I)N=C1 25762 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.3 BrC1=CN=C(Br)C=C1 24773 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.3 BrC1=CN=C(Br)C=N1 29073 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.3 BrC1=CN=C(I)N=C1 32048 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.3 BrC1=NC=C(I)C=C1 25761 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.3 BrC1=NN=C(Br)C=C1 28238 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.3 CC1=CC=C(Cl)N=C1 28395 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.3 CC1=CC=C(F)C=C1 30018 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.3 CC1=CC=C(F)C=N1 31011 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.3 CC1=CC=C(N)C=N1 28425 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.3 CC1=CC=C(O)C=C1 02046 [0,1,0,0,0,0|0,0,0]=1 86 B8R1.3 CC1=CC=C(S)N=C1 28655 [0,1,0,0,0,0|1,1,0]=3 87 B8R1.3 CC1=CC=[N+]([O-])C=C1 26997 [0,1,0,0,0,0|1,0,1]=3 88 B8R1.3 CC1=CN=C(Br)C=C1 28196 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.3 CC1=CN=C(C)C=N1 29787 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.3 CC1=CN=C(F)C=C1 29327 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.3 CC1=CN=C(N)C=C1 16973 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.3 CC1=CN=C(N)C=N1 20422 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.3 CC1=CN=C(O)C=C1 28671 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.3 CC1=NC=C(Br)C=C1 16976 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.3 CC1=NC=C(Cl)C=C1 28861 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.3 CC1=NC=C(I)C=C1 29038 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.3 CC1=NC=C(O)C=C1 27039 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.3 ClC1=CC=C(Br)C=N1 28495 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.3 ClC1=CC=C(Br)N=C1 28243 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.3 ClC1=CC=C(Cl)C=C1 31165 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.3 ClC1=CC=C(I)C=N1 25903 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.3 ClC1=CC=C(I)N=C1 29018 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.3 ClC1=CN=C(Br)C=N1 26258 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.3 ClC1=CN=C(Cl)C=C1 27007 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.3 ClC1=CN=C(Cl)C=C1 28912 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.3 ClC1=NC=C(I)C=N1 24348 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.3 FC1=CC=C(Br)C=C1 30412 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.3 FC1=CC=C(Br)N=C1 28247 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.3 FC1=CC=C(Cl)C=N1 28844 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.3 FC1=CN=C(Br)N=C1 26305 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.3 FC1=CN=C(Cl)C=C1 28720 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.3 FC1=NC=C(I)C=C1 28716 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.3 IC1=CC=C(I)C=C1 26770 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.3 IC1=CC=C(I)N=C1 28251 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.3 NC1=CC=C(Br)C=C1 29844 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.3 NC1=CC=C(Br)N=C1 28526 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.3 NC1=CC=C(F)N=C1 17046 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.3 NC1=CC=C(I)C=C1 27150 [0,1,0,0,0,0|1,0,0]=2 119 B8R1.3 NC1=CC=C(I)C=N1 25748 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.3 NC1=CC=C(I)N=C1 25750 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.3 NC1=CC=C(O)C=N1 29569 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.3 NC1=CN=C(Br)C=N1 17087 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.3 NC1=CN=C(Cl)C=C1 25555 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.3 NC1=CN=C(Cl)N=C1 26196 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.3 NC1=CN=C(N)C=C1 27586 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.3 NC1=CNC(=O)C=C1 29435 [0,1,0,0,0,0|1,0,1]=3 127 B8R1.3 NC1=NC=C(Br)C=C1 27033 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.3 NC1=NC=C(Cl)C=C1 27034 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.3 NC1=NC=C(F)C=N1 29344 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.3 NC1=NC=C(O)C=C1 17752 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.3 O=C1C=CC(=O)NN1 01495 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.3 OC1=CC=C(Br)C=N1 25760 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.3 OC1=CC=C(Cl)N=C1 28255 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.3 OC1=CC=C(F)C=C1 31762 [0,1,0,0,0,0|0,0,0]=1 135 B8R1.3 OC1=CC=C(F)C=N1 29416 [0,1,0,0,0,0|1,0,0]=2 136 B8R1.3 OC1=CN=C(Br)C=C1 28860 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.3 OC1=NC=C(Cl)C=C1 27022 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.3 OC1=NC=C(Cl)C=N1 10645 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.3 OC1=NC=C(I)C=C1 25749 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.4 BrC1=CC(Br)=NC=C1 28828 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.4 BrC1=CC=CC(Br)=C1 26732 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.4 BrC1=CN=CC(Br)=C1 27383 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.4 BrC1=CN=CC(I)=C1 28668 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.4 BrC1=NC(Br)=NC=C1 29002 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.4 BrC1=NC=CC(I)=C1 28666 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.4 CC1=CC(Br)=CC=N1 17038 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.4 CC1=CC(Br)=NC=C1 27873 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.4 CC1=CC(N)=CC=N1 28156 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.4 CC1=CC(O)=CC=C1 03571 [0,1,0,0,0,0|0,0,0]=1 150 B8R1.4 CC1=CC(O)=CN=C1 28367 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.4 CC1=CC=CC(=O)N1 28328 [0,1,0,0,0,0|1,0,1]=3 152 B8R1.4 CC1=CC=CC(Br)=N1 27580 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.4 CC1=CC=CC(C)=N1 00800 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.4 CC1=CC=CC(Cl)=N1 27011 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.4 CC1=CC=CC(F)=C1 30020 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.4 CC1=CC=CC(F)=N1 27601 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.4 CC1=CC=CC(I)=C1 26769 [0,1,0,0,0,0|1,0,0]=2 158 B8R1.4 CC1=CC=CC(N)=N1 27037 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.4 CC1=CC=C[N+]([O-])=C1 26993 [0,1,0,0,0,0|1,0,1]=3 160 B8R1.4 CC1=CC=NC(O)=C1 27954 [0,1,0,0,0,0|1,0,0]=2 161 B8R1.4 CC1=CN=CC(Br)=C1 17060 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.4 CC1=CN=CC(Br)=N1 26267 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.4 CC1=CN=CC(C)=C1 27053 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.4 CC1=CN=CC(Cl)=C1 28865 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.4 CC1=CN=CC(F)=C1 17150 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.4 CC1=CN=CC(N)=C1 17044 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.4 CC1=CN=CC(N)=C1 29247 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.4 CC1=CN=NC(Cl)=C1 26294 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.4 CC1=NC=CC(Cl)=C1 27551 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.4 ClC1=CC(Br)=CC=C1 30362 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.4 ClC1=CC(Br)=NC=C1 28806 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.4 ClC1=CC(Cl)=NC=C1 28447 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.4 ClC1=CC(Cl)=NC=N1 24509 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.4 ClC1=CC(Cl)=NN=C1 31470 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.4 ClC1=CC=CC(Br)=N1 28148 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.4 ClC1=CC=CC(Cl)=N1 27010 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.4 ClC1=CN=CC(Br)=C1 28866 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.4 ClC1=CN=CC(Cl)=C1 27047 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.4 ClC1=CN=CC(Cl)=N1 24510 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.4 ClC1=NC(Cl)=NC=C1 24507 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.4 ClC1=NC=CC(Br)=C1 28805 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.4 ClC1=NC=CC(I)=C1 28566 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.4 FC1=CC(Br)=NC=C1 26279 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.4 FC1=CC(I)=CC=N1 28675 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.4 FC1=CC=CC(Br)=N1 28712 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.4 FC1=CN=CC(Br)=C1 28847 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.4 NC1=CC(Br)=CC=C1 27143 [0,1,0,0,0,0|1,0,0]=2 188 B8R1.4 NC1=CC(Br)=CC=N1 17206 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.4 NC1=CC(Cl)=NC=C1 16972 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.4 NC1=CC(F)=NC=C1 17653 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.4 NC1=CC(O)=CN=C1 19077 [0,1,0,0,0,0|1,0,0]=2 192 B8R1.4 NC1=CC=CC(Br)=N1 24610 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.4 NC1=CC=CC(Cl)=N1 28256 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.4 NC1=CC=CC(N)=C1 27147 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.4 NC1=CC=CC(N)=N1 27036 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.4 NC1=CC=NC(Br)=C1 28521 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.4 NC1=CC=NC(O)=C1 18971 [0,1,0,0,0,0|1,0,0]=2 198 B8R1.4 NC1=CN=CC(Br)=C1 17002 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.4 NC1=CN=CC(Cl)=C1 17737 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.4 NC1=CN=CC(F)=C1 31748 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.4 NC1=NC(=O)NC=C1 00814 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.4 NC1=NC(Cl)=NC=C1 23191 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.4 NC1=NC(F)=CC=C1 17512 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.4 NC1=NC=CC(Cl)=C1 17039 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.4 NC1=NC=CC(Cl)=C1 29410 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.4 NC1=NC=CC(O)=C1 17441 [0,1,0,0,0,0|1,0,0]=2 207 B8R1.4 O=C1C=C(Br)C=CN1 29326 [0,1,0,0,0,0|1,0,1]=3 208 B8R1.4 O=C1C=CNC(=O)N1 31792 [0,1,0,0,0,0|2,0,1]=4 209 B8R1.4 O=C1C=CNC(=O)N1 33050 [0,1,0,0,0,0|2,0,1]=4 210 B8R1.4 O=C1C=CNC(=S)N1 21934 [0,1,0,0,0,0|2,0,1]=4 211 B8R1.4 OC1=CC(O)=NC=N1 27415 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.4 OC1=CC=CC(O)=C1 30180 [0,1,0,0,0,0|0,0,0]=1 213 B8R1.4 OC1=CC=NC(Cl)=C1 28524 [0,1,0,0,0,0|1,0,0]=2 214 B8R1.4 OC1=CN=CC(Br)=C1 28369 [0,1,0,0,0,0|1,0,0]=2 215 B8R1.4 OC1=NC(Cl)=CC=C1 28450 [0,1,0,0,0,0|1,0,0]=2 216 B8R1.4 OC1=NC=CC(S)=N1 21484 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.4 S=C1C=CNC(=S)N1 21607 [0,1,0,0,0,0|2,1,0]=4 218 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 17678 [0,1,0,0,0,0|1,0,1]=3 219 B8R1.5 BrC1=C(Br)C=CC=C1 26731 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.5 BrC1=C(Br)C=CC=C1 29549 [0,1,0,0,0,0|1,0,0]=2 221 B8R1.5 BrC1=C(Br)N=CC=C1 28249 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.5 BrC1=C(I)C=CC=C1 26767 [0,1,0,0,0,0|1,0,0]=2 223 B8R1.5 BrC1=CC=NC=C1Br 28250 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.5 CC1=C(Br)C=CC=N1 17037 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.5 CC1=C(Br)N=CC=C1 28290 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.5 CC1=C(Cl)C=CC=N1 28853 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.5 CC1=C(Cl)N=CC=C1 28262 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.5 CC1=C(F)C=CC=C1 30019 [0,1,0,0,0,0|1,0,0]=2 229 B8R1.5 CC1=C(F)C=NC=C1 28867 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.5 CC1=C(N)C=CC=N1 17034 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.5 CC1=CC=CN=C1F 27598 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.5 CC1=CC=CN=C1I 28830 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.5 CC1=CC=CN=C1N 27031 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.5 CC1=CC=CN=C1O 27920 [0,1,0,0,0,0|1,0,0]=2 235 B8R1.5 CC1=CN=CC=C1Br 17700 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.5 CC1=CN=CC=C1Br 28527 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.5 CC1=CN=CC=C1N 28541 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.5 CC1=NC=CC=C1F 29136 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.5 CC1=NC=CC=C1I 29187 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.5 CC1=NC=CN=C1C 31192 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.5 CC1=[N+]([O-])C=CC=C1 26990 [0,1,0,0,0,0|1,0,1]=3 242 B8R1.5 C[N+]1=C(Cl)C=CC=C1 04881 [0,1,0,0,0,0|2,0,0]=3 243 B8R1.5 ClC1=C(Br)C=CC=C1 30431 [0,1,0,0,0,0|1,0,0]=2 244 B8R1.5 ClC1=C(Br)C=CC=N1 28244 [0,1,0,0,0,0|2,0,0]=3 245 B8R1.5 ClC1=C(Br)N=CC=C1 28827 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.5 ClC1=C(Cl)C=NC=C1 28567 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.5 ClC1=C(I)C=CC=N1 28368 [0,1,0,0,0,0|2,0,0]=3 248 B8R1.5 ClC1=CC=CN=C1Cl 27002 [0,1,0,0,0,0|2,0,0]=3 249 B8R1.5 ClC1=CC=NC=C1Br 28245 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.5 ClC1=CN=CC=C1Br 24033 [0,1,0,0,0,0|2,0,0]=3 251 B8R1.5 FC1=C(Br)C=CC=C1 30361 [0,1,0,0,0,0|1,0,0]=2 252 B8R1.5 FC1=C(Br)C=CC=N1 28839 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.5 FC1=CC=CN=C1Br 28855 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.5 FC1=CC=CN=C1Cl 28717 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.5 FC1=CC=NC=C1Cl 28887 [0,1,0,0,0,0|2,0,0]=3 256 B8R1.5 FC1=CN=CN=C1Cl 24027 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.5 FC1=NC=CC=C1Cl 28856 [0,1,0,0,0,0|2,0,0]=3 258 B8R1.5 FC1=NC=CC=C1I 28713 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.5 NC1=C(Br)C=CC=C1 27130 [0,1,0,0,0,0|1,0,0]=2 260 B8R1.5 NC1=C(Br)N=CC=C1 17019 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.5 NC1=C(Cl)C=CC=N1 17023 [0,1,0,0,0,0|2,0,0]=3 262 B8R1.5 NC1=C(Cl)C=NC=C1 17261 [0,1,0,0,0,0|2,0,0]=3 263 B8R1.5 NC1=C(F)C=CC=C1 27132 [0,1,0,0,0,0|1,0,0]=2 264 B8R1.5 NC1=C(I)C=CC=N1 28533 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.5 NC1=C(N)C=CC=C1 31478 [0,1,0,0,0,0|1,0,0]=2 266 B8R1.5 NC1=C(O)C=CN=C1 17149 [0,1,0,0,0,0|1,0,0]=2 267 B8R1.5 NC1=C(O)C=NC=C1 26270 [0,1,0,0,0,0|1,0,0]=2 268 B8R1.5 NC1=CC=CN=C1Cl 16971 [0,1,0,0,0,0|2,0,0]=3 269 B8R1.5 NC1=CC=CN=C1F 17335 [0,1,0,0,0,0|2,0,0]=3 270 B8R1.5 NC1=CC=CN=C1I 29050 [0,1,0,0,0,0|2,0,0]=3 271 B8R1.5 NC1=CC=CN=C1N 24516 [0,1,0,0,0,0|2,0,0]=3 272 B8R1.5 NC1=CC=CN=C1O 28734 [0,1,0,0,0,0|1,0,0]=2 273 B8R1.5 NC1=CC=NC=C1Br 28582 [0,1,0,0,0,0|2,0,0]=3 274 B8R1.5 NC1=CC=NC=C1F 28257 [0,1,0,0,0,0|2,0,0]=3 275 B8R1.5 NC1=CN=CC=C1Br 18983 [0,1,0,0,0,0|2,0,0]=3 276 B8R1.5 NC1=CN=CC=C1Cl 17040 [0,1,0,0,0,0|2,0,0]=3 277 B8R1.5 NC1=CN=CC=C1I 17273 [0,1,0,0,0,0|2,0,0]=3 278 B8R1.5 NC1=CN=CN=C1Cl 26197 [0,1,0,0,0,0|3,0,0]=4 279 B8R1.5 NC1=CN=CN=C1O 26403 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.5 NC1=NC=CC=C1Br 28705 [0,1,0,0,0,0|2,0,0]=3 281 B8R1.5 NC1=NC=CC=C1F 18902 [0,1,0,0,0,0|2,0,0]=3 282 B8R1.5 NC1=NC=CC=C1O 16974 [0,1,0,0,0,0|1,0,0]=2 283 B8R1.5 O=C1NC=CC=C1Cl 29245 [0,1,0,0,0,0|1,0,1]=3 284 B8R1.5 OC1=C(I)N=CC=C1 27478 [0,1,0,0,0,0|1,0,0]=2 285 B8R1.5 OC1=C(O)C=CC=C1 00500 [0,1,0,0,0,0|0,0,0]=1 286 B8R1.5 OC1=CC=CN=C1Br 26999 [0,1,0,0,0,0|1,0,0]=2 287 B8R1.5 OC1=CC=CN=C1Cl 27006 [0,1,0,0,0,0|1,0,0]=2 288 B8R1.5 OC1=NC=CC=C1Br 28737 [0,1,0,0,0,0|1,0,0]=2 289 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 27938 [0,1,0,0,0,0|1,0,1]=3 290 B8R1.5 [O-][N+]1=C(S)C=CC=C1 26989 [0,1,0,0,0,0|1,0,1]=3 291 B8R1.5 [O-][N+]1=CC=CC=C1O 00785 [0,1,0,0,0,0|1,0,0]=2 292 B6R1.2 BrC1=CN=CS1 29062 [0,0,0,0,1,0|3,0,0]=4 293 B6R1.2 BrC1=CNC=N1 25039 [0,0,0,0,1,0|3,0,0]=4 294 B6R1.2 BrC1=CNN=C1 27841 [0,0,0,0,1,0|3,0,0]=4 295 B6R1.2 BrC1=COC=C1 26940 [0,0,0,0,1,0|2,0,0]=3 296 B6R1.2 BrC1=CON=C1 28611 [0,0,0,0,1,0|3,0,0]=4 297 B6R1.2 BrC1=CSC=N1 17481 [0,0,0,0,1,0|3,0,0]=4 298 B6R1.2 BrC1=CSN=C1 17479 [0,0,0,0,1,0|3,0,0]=4 299 B6R1.2 BrC1=NC=CN1 26153 [0,0,0,0,1,0|3,0,0]=4 300 B6R1.2 BrC1=NC=CS1 24492 [0,0,0,0,1,0|3,0,0]=4 301 B6R1.2 CC1=CSC=N1 26939 [0,0,0,0,1,0|3,0,0]=4 302 B6R1.2 CC1=NC=CN1 26928 [0,0,0,0,1,0|3,0,0]=4 303 B6R1.2 CN1C=CN=C1 00526 [0,0,0,0,1,0|3,0,0]=4 304 B6R1.2 IC1=CNC=N1 28518 [0,0,0,0,1,0|3,0,0]=4 305 B6R1.2 IC1=CNN=C1 26932 [0,0,0,0,1,0|3,0,0]=4 306 B6R1.2 IC1=NNC=C1 30713 [0,0,0,0,1,0|3,0,0]=4 307 B6R1.2 NC1=CC=CS1 28483 [0,0,0,0,1,0|2,0,0]=3 308 B6R1.2 NC1=CNN=C1 28540 [0,0,0,0,1,0|3,0,0]=4 309 B6R1.2 NC1=NC=CO1 29492 [0,0,0,0,1,0|3,0,0]=4 310 B6R1.2 NC1=NC=CS1 24494 [0,0,0,0,1,0|3,0,0]=4 311 B6R1.2 NC1=NNC=C1 24487 [0,0,0,0,1,0|3,0,0]=4 312 B6R1.2 O=C1C=CCN1 18447 [0,0,0,0,1,0|1,0,2]=4 313 B5R0.1 C\C=C\C(=O)O 26844 [1,0,1,0,0,0|1,0,1]=4 314 B5R0.1 O=C(O)\C=C/Br 16527 [1,0,1,0,0,0|2,0,0]=4 315 B5R0.1 O=C(O)\C=C/I 16560 [1,0,1,0,0,0|2,0,0]=4 316 B7R0.4 C\C=C\C=C\C(=O)O 01526 [0,1,1,0,0,0|1,0,0]=3 317 B7R0.4 C\C=C\C=C\C(=O)[O-] 22224 [0,1,1,0,0,0|1,0,1]=4 318 B7R0.6 O=C(O)\C=C/C(=O)O 01181 [0,1,1,0,0,0|2,0,0]=4 319 B7R1.1 CNC1=CC=CS1 29398 [0,1,0,0,1,0|2,0,0]=4 320 B7R1.1 N#CC1=CSC=C1 28089 [0,1,0,0,1,0|2,0,0]=4 321 B7R1.1 O=CC1=CC=CO1 32011 [0,1,0,0,1,0|1,0,1]=4 322 B7R1.1 O=CC1=CC=CS1 26946 [0,1,0,0,1,0|1,0,1]=4 323 B7R1.1 OCC1=CC=CS1 14033 [0,1,0,0,1,0|1,0,0]=3 324 B7R1.1 OCC1=CC=NO1 17531 [0,1,0,0,1,0|2,0,0]=4 325 B7R1.1 OCC1=CN=CS1 28873 [0,1,0,0,1,0|2,0,0]=4 326 B7R1.1 OCC1=COC=C1 26943 [0,1,0,0,1,0|1,0,0]=3 327 B7R1.1 OCC1=CSC=N1 28872 [0,1,0,0,1,0|2,0,0]=4 328 B7R1.1 OCC1=NC=CS1 24020 [0,1,0,0,1,0|2,0,0]=4 329 B7R1.1 SCC1=CC=CO1 31196 [0,1,0,0,1,0|1,1,0]=4 330 B7R1.2 O=C1C=CC(=O)O1 02328 [0,1,0,0,1,0|1,0,1]=4 331 B7R1.4 BrC1=CSC=C1Br 24497 [0,1,0,0,1,0|2,0,0]=4 332 B7R1.4 CC1=C(S)C=CO1 29781 [0,1,0,0,1,0|1,1,0]=4 333 B7R1.4 CN1N=CC=C1O 28907 [0,1,0,0,1,0|2,0,0]=4 334 B9R1.5 O=C1C=CC=CC=C1O 31100 [0,1,0,0,0,1|0,0,0]=2 335 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [0,2,0,0,0,0|1,0,0]=3 336 B9R1.1 C#CC1=CC=C(N)C=C1 28132 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [0,2,0,0,0,0|1,0,0]=3 338 B9R1.1 CC1=CC=C(CO)C=C1 15163 [0,2,0,0,0,0|0,0,0]=2 339 B9R1.1 CC1=CN=C(C#N)C=C1 28914 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.1 CC1=NC=C(C#N)C=C1 27540 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [0,2,0,0,0,0|1,0,0]=3 342 B9R1.1 CNC1=CC=C(O)C=C1 32029 [0,2,0,0,0,0|0,0,0]=2 343 B9R1.1 COC1=CC=C(Br)C=C1 30359 [0,2,0,0,0,0|0,0,0]=2 344 B9R1.1 COC1=CC=C(Br)C=N1 28496 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.1 COC1=CC=C(C)C=C1 27173 [0,2,0,0,0,0|0,0,0]=2 346 B9R1.1 COC1=CC=C(C)C=N1 29129 [0,2,0,0,0,0|1,0,0]=3 347 B9R1.1 COC1=CC=C(C)N=C1 29217 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.1 COC1=CC=C(F)C=C1 30024 [0,2,0,0,0,0|0,0,0]=2 349 B9R1.1 COC1=CC=C(I)C=N1 29054 [0,2,0,0,0,0|1,0,0]=3 350 B9R1.1 COC1=CC=C(I)N=C1 10588 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.1 COC1=CC=C(N)N=C1 26213 [0,2,0,0,0,0|1,0,0]=3 352 B9R1.1 COC1=CC=[N+]([O-])C=C1 26996 [0,2,0,0,0,0|1,0,0]=3 353 B9R1.1 COC1=CN=C(Cl)C=C1 28971 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.1 COC1=CN=C(N)C=N1 26326 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.1 COC1=NC=C(Cl)C=C1 19104 [0,2,0,0,0,0|1,0,0]=3 356 B9R1.1 COC1=NC=C(N)C=C1 27019 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.1 COC1=NN=C(N)C=C1 31171 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.1 ClCC1=CN=C(Cl)C=C1 27917 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.1 N#CC1=CC=C(Br)C=N1 25758 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.1 N#CC1=CC=C(Br)N=C1 17045 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.1 N#CC1=CC=C(Cl)N=C1 27882 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.1 N#CC1=CC=C(N)C=N1 28683 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.1 N#CC1=CC=[N+]([O-])C=C1 26994 [0,2,0,0,0,0|1,0,1]=4 364 B9R1.1 N#CC1=CN=C(N)C=C1 27932 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.1 N#CC1=CN=C(O)C=C1 29306 [0,2,0,0,0,0|1,0,0]=3 366 B9R1.1 N#CC1=NC=C(Cl)C=C1 28788 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.1 NC1=CC=C(CCl)N=C1 29166 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.1 NC1=CC=C(CO)C=C1 29757 [0,2,0,0,0,0|0,0,0]=2 369 B9R1.1 NCC1=CC=C(Br)N=C1 19332 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.1 NCC1=CC=C(O)C=C1 17203 [0,2,0,0,0,0|0,0,0]=2 371 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.1 NNC1=CC=C(F)C=C1 31299 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [0,2,0,0,0,0|0,0,1]=3 374 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [0,2,0,0,0,0|0,0,1]=3 375 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [0,2,0,0,0,0|0,0,1]=3 376 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [0,2,0,0,0,0|0,0,1]=3 377 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [0,2,0,0,0,0|0,0,0]=2 378 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [0,2,0,0,0,0|0,0,1]=3 379 B9R1.1 O=CC1=CN=C(Br)C=C1 31251 [0,2,0,0,0,0|1,0,1]=4 380 B9R1.1 O=CC1=CN=C(Cl)C=C1 31273 [0,2,0,0,0,0|1,0,1]=4 381 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [0,2,0,0,0,0|0,0,0]=2 382 B9R1.1 OCC1=CC=C(F)C=C1 30025 [0,2,0,0,0,0|0,0,0]=2 383 B9R1.1 OCC1=CC=C(O)C=C1 00198 [0,2,0,0,0,0|0,0,0]=2 384 B9R1.1 OCC1=CN=C(Br)C=C1 17561 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.1 OCC1=NC=C(Cl)C=C1 26335 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.2 BrCC1=CC(Br)=CC=C1 00425 [0,2,0,0,0,0|1,0,0]=3 387 B9R1.2 C#CC1=CC=CC(N)=C1 27389 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.2 CC1=CC(C#N)=NC=C1 27929 [0,2,0,0,0,0|2,0,0]=4 389 B9R1.2 CC1=CC(CN)=NC=C1 26193 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.2 CC1=CN=CC(CCl)=C1 29342 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.2 CC1=NC(CCl)=CC=C1 28539 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.2 CC1=NC(CN)=CC=C1 17766 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.2 CCC1=CC(Br)=NC=C1 28599 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.2 CCC1=CC(N)=NC=C1 27934 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.2 CCC1=CC=CC(Br)=C1 28104 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.2 CCC1=CC=CC(O)=C1 26816 [0,2,0,0,0,0|0,0,0]=2 397 B9R1.2 CCC1=CC=CC(O)=C1 29553 [0,2,0,0,0,0|0,0,0]=2 398 B9R1.2 CCC1=NC(C)=CC=C1 27484 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.2 COC1=CC(Br)=NC=C1 28934 [0,2,0,0,0,0|1,0,0]=3 400 B9R1.2 COC1=CC(Cl)=CC=N1 17704 [0,2,0,0,0,0|1,0,0]=3 401 B9R1.2 COC1=CC(N)=CC=N1 17450 [0,2,0,0,0,0|1,0,0]=3 402 B9R1.2 COC1=CC(N)=NC=C1 26221 [0,2,0,0,0,0|1,0,0]=3 403 B9R1.2 COC1=CC=CC(Br)=C1 21480 [0,2,0,0,0,0|0,0,0]=2 404 B9R1.2 COC1=CC=CC(C)=N1 28841 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.2 COC1=CC=CC(Cl)=C1 26754 [0,2,0,0,0,0|0,0,0]=2 406 B9R1.2 COC1=CC=CC(F)=C1 30017 [0,2,0,0,0,0|0,0,0]=2 407 B9R1.2 COC1=CC=CC(N)=N1 17159 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.2 COC1=CC=CC(O)=C1 00432 [0,2,0,0,0,0|0,0,0]=2 409 B9R1.2 COC1=CC=NC(Cl)=C1 26079 [0,2,0,0,0,0|1,0,0]=3 410 B9R1.2 COC1=NC(Br)=CC=C1 27894 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.2 COC1=NC(Br)=CN=C1 26337 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.2 COC1=NC(Cl)=CC=C1 27020 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.2 COC1=NC=CC(Br)=N1 26320 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.2 COC1=NC=CC(C)=C1 28913 [0,2,0,0,0,0|1,0,0]=3 415 B9R1.2 COC1=NC=CC(N)=N1 24717 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.2 ClC1=CC(CBr)=CC=C1 14035 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.2 FC1=CC(CBr)=CC=C1 07254 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.2 N#CC1=CC(Br)=CN=C1 25548 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.2 N#CC1=CC(Cl)=NC=C1 28142 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.2 N#CC1=CC=CC(Cl)=N1 28316 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.2 N#CC1=CC=CC(N)=C1 27142 [0,2,0,0,0,0|1,0,0]=3 422 B9R1.2 N#CC1=NC(Br)=CC=C1 28258 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.2 NCC1=CC(I)=CC=C1 28182 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.2 NCC1=CC=CC(I)=C1 27339 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [0,2,0,0,0,0|0,0,1]=3 426 B9R1.2 O=CC1=CC(Br)=NC=C1 28825 [0,2,0,0,0,0|1,0,1]=4 427 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [0,2,0,0,0,0|0,0,1]=3 428 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [0,2,0,0,0,0|0,0,1]=3 429 B9R1.2 O=CC1=CC(F)=NC=C1 26194 [0,2,0,0,0,0|1,0,1]=4 430 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [0,2,0,0,0,0|0,0,0]=2 431 B9R1.2 O=CC1=CC(O)=NC=C1 17656 [0,2,0,0,0,0|1,0,0]=3 432 B9R1.2 O=CC1=CC=CC(Br)=N1 16982 [0,2,0,0,0,0|1,0,1]=4 433 B9R1.2 OCC1=CC(F)=CC=C1 31155 [0,2,0,0,0,0|0,0,0]=2 434 B9R1.2 OCC1=NC(Br)=CC=C1 24708 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [0,2,0,0,0,0|0,0,1]=3 436 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [0,2,0,0,0,0|0,0,1]=3 437 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [0,2,0,0,0,0|1,0,1]=4 438 B9R1.6 CC(N)C1=CC=NC=C1 17007 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.6 CC(N)C1=CN=CC=C1 17106 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.6 CC(N)C1=NC=CC=C1 17105 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.6 CN(C)C1=CC=NC=C1 00120 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.6 CN(C)C1=CC=NC=C1 30845 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.6 CN(C)C1=CC=NC=C1 30846 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [0,2,0,0,0,0|1,0,0]=3 447 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [0,2,0,0,0,0|1,0,1]=4 450 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [0,2,0,0,0,0|1,0,1]=4 451 B9R1.6 O=C(Cl)C1=CC=CN=C1 06993 [0,2,0,0,0,0|1,0,1]=4 452 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,2,0,0,0,0|0,0,0]=2 453 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,2,0,0,0,0|0,0,0]=2 454 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,2,0,0,0,0|0,0,0]=2 455 B9R1.6 O=C(O)C1=CC=CN=C1 01616 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.6 O=C(O)C1=CC=NC=C1 27060 [0,2,0,0,0,0|1,0,0]=3 457 B9R1.6 O=C(O)C1=NC=CC=C1 03556 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.6 O=C(O)C1=NC=CC=N1 17811 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.6 O=C(O)C1=NC=CN=C1 26983 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.6 O=C(O)C1=NC=NC=C1 17543 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.6 O=C(O)C1=NN=CC=C1 24005 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [0,2,0,0,0,0|0,0,1]=3 463 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [0,2,0,0,0,0|0,0,1]=3 464 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 28277 [0,2,0,0,0,0|1,0,1]=4 465 B9R1.6 OB(O)C1=CC=CC=C1 26799 [0,2,0,0,0,0|0,0,0]=2 466 B9R1.6 OB(O)C1=CC=CC=C1 29551 [0,2,0,0,0,0|0,0,0]=2 467 B9R1.6 OB(O)C1=CC=CC=N1 31151 [0,2,0,0,0,0|1,0,0]=3 468 B9R1.6 OB(O)C1=CC=NC=C1 29071 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.6 OB(O)C1=CN=CC=C1 28849 [0,2,0,0,0,0|1,0,0]=3 470 B9R1.8 CCCC1=CC=CC=C1 27219 [0,2,0,0,0,0|1,0,0]=3 471 B9R1.8 CCCC1=CC=CC=C1 29530 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.8 CCOC1=CC=CC=C1 30856 [0,2,0,0,0,0|0,0,0]=2 473 B9R1.8 CCOC1=NC=CC=C1 27481 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.8 CNCC1=CC=CC=C1 23236 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.8 CNCC1=CC=CN=C1 23300 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.8 CNCC1=CC=NC=C1 23632 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.8 CNCC1=NC=CC=C1 23554 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.8 COCC1=CC=CN=C1 29457 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.8 COCC1=CC=NC=C1 29392 [0,2,0,0,0,0|1,0,0]=3 480 B9R1.8 COCC1=NC=CC=C1 27516 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.8 NCCC1=CC=CC=C1 21747 [0,2,0,0,0,0|1,0,0]=3 482 B9R1.8 NOCC1=CC=CC=C1 02279 [0,2,0,0,0,0|0,0,0]=2 483 B9R1.8 OCCC1=CC=CC=C1 01623 [0,2,0,0,0,0|0,0,0]=2 484 B9R1.8 ONCC1=CC=CC=C1 31261 [0,2,0,0,0,0|0,0,0]=2 485 B9R1.8 O\N=C\C1=NC=CC=C1 00944 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.8 O\N=C\C1=NC=CC=C1 28129 [0,2,0,0,0,0|1,0,0]=3 487 B9R1.8 S=C=NC1=CC=CC=C1 24479 [0,2,0,0,0,0|0,1,0]=3 488 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.15 CC1=C(C#N)N=CC=C1 28162 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.15 CC1=C(CN)C=CN=C1 18175 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.15 CC1=NC=CC=C1C#N 23178 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.15 CCC1=C(O)C=CC=C1 26809 [0,2,0,0,0,0|0,0,0]=2 494 B9R1.15 COC1=C(Br)C=CC=C1 30420 [0,2,0,0,0,0|0,0,0]=2 495 B9R1.15 COC1=C(Cl)N=CC=C1 28752 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.15 COC1=C(F)C=CC=C1 30023 [0,2,0,0,0,0|0,0,0]=2 497 B9R1.15 COC1=C(I)C=CC=C1 26768 [0,2,0,0,0,0|0,0,0]=2 498 B9R1.15 COC1=C(I)C=CC=N1 17151 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.15 COC1=C(I)N=CC=C1 17657 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.15 COC1=C(N)C=CN=C1 26333 [0,2,0,0,0,0|1,0,0]=3 501 B9R1.15 COC1=CC=CN=C1Br 17332 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.15 COC1=CC=CN=C1C 27922 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.15 COC1=CC=CN=C1N 26214 [0,2,0,0,0,0|1,0,0]=3 504 B9R1.15 COC1=CC=NC=C1Br 18025 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.15 COC1=CC=NC=C1I 20132 [0,2,0,0,0,0|1,0,0]=3 506 B9R1.15 COC1=CC=NC=C1N 26215 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.15 COC1=NC=CC=C1Br 18024 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.15 COC1=NC=CC=C1N 30330 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.15 COC1=NC=CN=C1N 26188 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.15 N#CC1=C(Br)C=CC=N1 28644 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.15 N#CC1=C(N)C=CC=N1 17258 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.15 N#CC1=C(N)C=CN=C1 18056 [0,2,0,0,0,0|2,0,0]=4 515 B9R1.15 N#CC1=C(N)C=NC=C1 17343 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [0,2,0,0,0,0|0,0,0]=2 517 B9R1.15 N#CC1=CC=CN=C1Cl 27382 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.15 N#CC1=CC=CN=C1N 27928 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.15 N#CC1=CC=CN=C1O 29006 [0,2,0,0,0,0|1,0,0]=3 520 B9R1.15 N#CC1=CN=CN=C1O 25038 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.15 NC1=C(C=O)C=CC=N1 28552 [0,2,0,0,0,0|1,0,1]=4 522 B9R1.15 NC1=C(C=O)C=CN=C1 17082 [0,2,0,0,0,0|1,0,1]=4 523 B9R1.15 NC1=C(CCl)C=CC=N1 18029 [0,2,0,0,0,0|2,0,0]=4 524 B9R1.15 NC1=C(CO)C=CC=N1 17074 [0,2,0,0,0,0|1,0,0]=3 525 B9R1.15 NC1=CC=NC=C1C=O 17064 [0,2,0,0,0,0|1,0,1]=4 526 B9R1.15 NC1=CC=NC=C1C=O 18057 [0,2,0,0,0,0|1,0,1]=4 527 B9R1.15 NC1=CN=CC=C1CO 17398 [0,2,0,0,0,0|1,0,0]=3 528 B9R1.15 NC1=NC=CC=C1C=O 17970 [0,2,0,0,0,0|1,0,1]=4 529 B9R1.15 NCC1=C(Cl)C=CC=N1 19564 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.15 NNC1=C(Cl)C=CC=N1 26149 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.15 O=CC1=C(Br)C=CC=C1 21252 [0,2,0,0,0,0|0,0,1]=3 533 B9R1.15 O=CC1=C(F)C=CC=C1 30013 [0,2,0,0,0,0|0,0,1]=3 534 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [0,2,0,0,0,0|0,0,0]=2 535 B9R1.15 O=CC1=CN=CC=C1Cl 28845 [0,2,0,0,0,0|1,0,1]=4 536 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [0,2,0,0,0,0|0,0,0]=2 537 B9R1.15 OCC1=C(F)C=CC=C1 31154 [0,2,0,0,0,0|0,0,0]=2 538 B9R1.15 OCC1=CC=CN=C1Cl 17223 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.15 OCC1=NC=CC=C1O 27043 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.15 [O-][N+]1=CC=CC=C1CCl 26338 [0,2,0,0,0,0|1,0,1]=4 541 B9R1.69 BrC1=CC(Br)=C(Br)N=C1 28242 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.69 BrC1=CC(I)=C(Br)C=C1 30841 [0,2,0,0,0,0|1,0,0]=3 543 B9R1.69 CC1=C(Br)C=C(Br)C=N1 26111 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.69 CC1=C(Br)C=C(Cl)C=N1 29372 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.69 CC1=C(Br)C=C(N)C=N1 29069 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.69 CC1=C(Br)C=CC(Br)=N1 28933 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.69 CC1=C(Br)C=CC(O)=N1 28764 [0,2,0,0,0,0|1,0,0]=3 548 B9R1.69 CC1=C(Br)C=NC(Br)=C1 28275 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.69 CC1=C(Br)C=NC(Cl)=C1 28770 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.69 CC1=C(Br)C=NC(N)=C1 28768 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.69 CC1=C(Br)C=NC(O)=C1 28771 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.69 CC1=C(Br)N=CC(Cl)=C1 28693 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.69 CC1=C(Br)N=CC(I)=C1 29162 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.69 CC1=C(Br)N=CC(N)=C1 28701 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.69 CC1=C(C)N=C(N)C=C1 28911 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.69 CC1=C(C)N=CC(Br)=C1 29341 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.69 CC1=C(Cl)N=C(N)C=C1 29400 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 28704 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.69 CC1=C(Cl)N=CC(I)=C1 29158 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.69 CC1=C(I)C=C(N)C=C1 27676 [0,2,0,0,0,0|1,0,0]=3 561 B9R1.69 CC1=C(I)C=CC(Br)=N1 29310 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.69 CC1=C(I)C=CC(Cl)=N1 29160 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.69 CC1=C(I)C=CC(N)=N1 28878 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.69 CC1=C(N)C=CC(I)=C1 30827 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.69 CC1=C(N)C=CC(N)=C1 17451 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.69 CC1=C(N)C=CC(N)=N1 28765 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.69 CC1=C(N)C=NC(N)=C1 28772 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.69 CC1=C(O)C=C(Cl)C=C1 27750 [0,2,0,0,0,0|0,0,0]=2 569 B9R1.69 CC1=C(O)C=CC(Cl)=C1 26818 [0,2,0,0,0,0|0,0,0]=2 570 B9R1.69 CC1=C(O)C=CC(O)=C1 30342 [0,2,0,0,0,0|0,0,0]=2 571 B9R1.69 CC1=C(O)N=CC(Br)=C1 28767 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.69 CC1=CC(Br)=C(C)N=C1 28268 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 28553 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.69 CC1=CC(Br)=C(N)N=C1 27806 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.69 CC1=CC(Br)=C(O)C=C1 26805 [0,2,0,0,0,0|0,0,0]=2 576 B9R1.69 CC1=CC(Br)=C(O)N=C1 28793 [0,2,0,0,0,0|1,0,0]=3 577 B9R1.69 CC1=CC(Br)=CN=C1Br 28593 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.69 CC1=CC(Br)=NC=C1N 29096 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.69 CC1=CC(C)=C(Br)C=N1 29242 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.69 CC1=CC(C)=C(Br)N=C1 28269 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.69 CC1=CC(Cl)=C(Br)N=C1 29232 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.69 CC1=CC(Cl)=C(Cl)N=C1 29132 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.69 CC1=CC(Cl)=CN=C1N 27936 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.69 CC1=CC(Cl)=NC=C1Cl 29036 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.69 CC1=CC(Cl)=NC=C1N 28769 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.69 CC1=CC(F)=CN=C1Br 26306 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.69 CC1=CC(F)=CN=C1Cl 28884 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.69 CC1=CC(I)=C(Br)N=C1 29161 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.69 CC1=CC(I)=C(N)N=C1 29156 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.69 CC1=CC(I)=C(O)N=C1 29164 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.69 CC1=CC(I)=CN=C1N 28604 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.69 CC1=CC(I)=CN=C1O 28834 [0,2,0,0,0,0|1,0,0]=3 593 B9R1.69 CC1=CC(N)=C(Br)C=N1 29016 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.69 CC1=CC(N)=C(Cl)N=C1 28766 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.69 CC1=CC(N)=NC=C1Cl 28939 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.69 CC1=CC(N)=NC=C1I 28945 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.69 CC1=CC(O)=CC=C1Br 27863 [0,2,0,0,0,0|0,0,0]=2 598 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 28709 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.69 CC1=CC=C(Br)C(I)=C1 29060 [0,2,0,0,0,0|1,0,0]=3 600 B9R1.69 CC1=CC=C(Br)C(N)=C1 17974 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.69 CC1=CC=C(Br)C(N)=N1 28707 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.69 CC1=CC=C(Br)C(O)=N1 28708 [0,2,0,0,0,0|1,0,0]=3 603 B9R1.69 CC1=CC=C(Br)C=C1C 12975 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.69 CC1=CC=C(Br)C=[N+]1[O-] 28261 [0,2,0,0,0,0|1,0,1]=4 605 B9R1.69 CC1=CC=C(Br)N=C1Br 28804 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.69 CC1=CC=C(C)C(Br)=N1 29362 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 27858 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.69 CC1=CC=C(F)C=C1Cl 31163 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.69 CC1=CC=C(F)C=C1N 21901 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.69 CC1=CC=C(I)C(Br)=C1 27860 [0,2,0,0,0,0|1,0,0]=3 611 B9R1.69 CC1=CC=C(N)C(Cl)=N1 28706 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.69 CC1=CC=C(N)C(F)=N1 17334 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.69 CC1=CC=C(N)C(I)=C1 28728 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.69 CC1=CC=C(O)C(I)=N1 27012 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.69 CC1=CC=C(O)C=C1Br 29091 [0,2,0,0,0,0|0,0,0]=2 616 B9R1.69 CC1=CN=C(Br)C(N)=C1 29097 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.69 CC1=CN=C(C)C(C)=C1 31937 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.69 CC1=CN=C(Cl)C(C)=C1 29361 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.69 CC1=CN=C(Cl)C=C1Cl 26266 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.69 CC1=CN=C(F)C(I)=C1 28718 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.69 CC1=CN=C(F)C=C1I 28715 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.69 CC1=CN=C(N)C(C)=C1 29283 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.69 CC1=CN=C(O)N=C1N 01486 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.69 CC1=NC(Br)=C(F)C=C1 28692 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.69 CC1=NC(Br)=C(N)C=C1 28699 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.69 CC1=NC(Br)=CC=C1F 28694 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.69 CC1=NC(C)=C(Br)C=C1 28278 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.69 CC1=NC(C)=C(N)C=C1 28532 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.69 CC1=NC(Cl)=C(Cl)C=C1 29229 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.69 CC1=NC(Cl)=CC=C1Br 29037 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.69 CC1=NC(Cl)=CC=C1Cl 28394 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.69 CC1=NC(Cl)=CC=C1N 28711 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.69 CC1=NC(N)=CC=C1Cl 29183 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.69 CC1=NC(O)=CC=C1I 29163 [0,2,0,0,0,0|1,0,0]=3 635 B9R1.69 CC1=NC=C(Br)C=C1Cl 29147 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.69 CC1=NC=C(Br)C=C1N 29148 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.69 ClC1=C(Br)C=C(Br)C=N1 28241 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.69 ClC1=C(Cl)N=CC(Br)=C1 28837 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.69 ClC1=CC(Br)=C(Cl)N=C1 28967 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.69 ClC1=CC(Cl)=C(Br)N=C1 28240 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.69 ClC1=CC(I)=C(Cl)N=C1 29155 [0,2,0,0,0,0|2,0,0]=4 642 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 27623 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.69 ClC1=NC(Cl)=C(Br)C=C1 29001 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.69 FC1=CC(Br)=CN=C1Cl 28740 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.69 FC1=CC(Cl)=CN=C1Br 26352 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.69 FC1=CC(I)=C(Cl)C=N1 28848 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.69 FC1=NC=C(Cl)C=C1Cl 28829 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.69 NC1=C(Br)C=C(Br)C=C1 27131 [0,2,0,0,0,0|1,0,0]=3 649 B9R1.69 NC1=C(Br)C=C(Cl)C=N1 28448 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.69 NC1=C(Br)C=C(F)C=N1 26161 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.69 NC1=C(Br)C=NC(Cl)=C1 29159 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.69 NC1=C(Br)N=C(Cl)C=C1 29330 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.69 NC1=C(Br)N=CC(Cl)=C1 29021 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.69 NC1=C(Cl)C=C(I)C=C1 27507 [0,2,0,0,0,0|1,0,0]=3 655 B9R1.69 NC1=C(F)C=C(Br)C=C1 24974 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.69 NC1=C(F)C=CC(Br)=C1 29748 [0,2,0,0,0,0|1,0,0]=3 657 B9R1.69 NC1=C(I)C=CC(Cl)=C1 17354 [0,2,0,0,0,0|1,0,0]=3 658 B9R1.69 NC1=CC(Br)=C(N)N=C1 28762 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.69 NC1=CC(Br)=CC=C1O 28279 [0,2,0,0,0,0|0,0,0]=2 660 B9R1.69 NC1=CC(Br)=CN=C1Br 29181 [0,2,0,0,0,0|2,0,0]=4 661 B9R1.69 NC1=CC(Br)=CN=C1Cl 28638 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.69 NC1=CC(Br)=CN=C1N 29224 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.69 NC1=CC(Br)=CN=C1O 28801 [0,2,0,0,0,0|1,0,0]=3 664 B9R1.69 NC1=CC(Cl)=C(F)C=C1 21867 [0,2,0,0,0,0|1,0,0]=3 665 B9R1.69 NC1=CC(Cl)=CN=C1Cl 28193 [0,2,0,0,0,0|2,0,0]=4 666 B9R1.69 NC1=CC(Cl)=CN=C1O 29454 [0,2,0,0,0,0|1,0,0]=3 667 B9R1.69 NC1=CC(F)=CC=C1O 24900 [0,2,0,0,0,0|0,0,0]=2 668 B9R1.69 NC1=CC(F)=CN=C1N 29077 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.69 NC1=CC=C(Br)N=C1Br 27927 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.69 NC1=CC=C(Br)N=C1N 26339 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.69 NC1=CC=C(Br)N=C1O 18861 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.69 NC1=CC=C(Cl)N=C1Cl 27475 [0,2,0,0,0,0|2,0,0]=4 673 B9R1.69 NC1=CN=C(Br)C(Cl)=C1 29222 [0,2,0,0,0,0|2,0,0]=4 674 B9R1.69 NC1=CN=C(Cl)C(Br)=C1 28799 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.69 NC1=CN=C(Cl)C(Cl)=C1 28800 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.69 NC1=CN=C(Cl)C(N)=C1 29208 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.69 NC1=CN=C(Cl)C=C1Cl 17694 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.69 NC1=NC=C(Br)C=C1Br 27539 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.69 NC1=NC=C(Br)C=C1Cl 29314 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.69 NC1=NC=C(Br)C=C1O 29190 [0,2,0,0,0,0|1,0,0]=3 681 B9R1.69 NC1=NC=C(Cl)C=C1Cl 27028 [0,2,0,0,0,0|2,0,0]=4 682 B9R1.69 NC1=NC=C(Cl)C=C1F 29248 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.69 NC1=NC=C(Cl)C=C1I 29039 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.69 NC1=NC=C(O)C=C1Cl 29220 [0,2,0,0,0,0|1,0,0]=3 685 B9R1.69 O=C1NC=C(Br)C=C1Cl 28893 [0,2,0,0,0,0|1,0,1]=4 686 B9R1.69 O=C1NC=C(Cl)C=C1Br 29489 [0,2,0,0,0,0|1,0,1]=4 687 B9R1.69 OC1=C(Br)C=C(Br)C=C1 26804 [0,2,0,0,0,0|0,0,0]=2 688 B9R1.69 OC1=C(Br)C=C(F)C=C1 25759 [0,2,0,0,0,0|0,0,0]=2 689 B9R1.69 OC1=CC=C(I)C=C1F 26368 [0,2,0,0,0,0|0,0,0]=2 690 B9R1.69 OC1=CN=C(Cl)C(F)=C1 28739 [0,2,0,0,0,0|1,0,0]=3 691 B9R1.69 OC1=NC=C(Br)C=C1Br 27482 [0,2,0,0,0,0|1,0,0]=3 692 B9R1.69 OC1=NC=C(Cl)C=C1Cl 27919 [0,2,0,0,0,0|1,0,0]=3 693 B9R1.3 BrC1=CN=CC(Br)=C1Br 28520 [0,2,0,0,0,0|2,0,0]=4 694 B9R1.3 CC1=C(Br)C(N)=CC=C1 28943 [0,2,0,0,0,0|1,0,0]=3 695 B9R1.3 CC1=C(Br)C=NC=C1Br 27925 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.3 CC1=C(C)[N+]([O-])=CC=C1 28332 [0,2,0,0,0,0|1,0,1]=4 697 B9R1.3 CC1=C(Cl)C=CC=C1F 31164 [0,2,0,0,0,0|1,0,0]=3 698 B9R1.3 CC1=C(Cl)C=NC=C1Cl 29236 [0,2,0,0,0,0|2,0,0]=4 699 B9R1.3 CC1=C(Cl)N=CC=C1Cl 29180 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.3 CC1=C(I)C=CN=C1F 28714 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.3 CC1=C(N)C(O)=CC=C1 30843 [0,2,0,0,0,0|0,0,0]=2 702 B9R1.3 CC1=C(O)C=CC=C1O 21880 [0,2,0,0,0,0|0,0,0]=2 703 B9R1.3 CC1=CC=CC(C)=[N+]1[O-] 27563 [0,2,0,0,0,0|1,0,1]=4 704 B9R1.3 CC1=CC=CC(N)=C1C 15001 [0,2,0,0,0,0|1,0,0]=3 705 B9R1.3 CC1=CC=NC(Br)=C1N 28840 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.3 CC1=CC=NC(C)=C1Br 29376 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.3 CC1=CC=NC(Cl)=C1Br 28843 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.3 CC1=CC=NC(Cl)=C1Cl 29228 [0,2,0,0,0,0|2,0,0]=4 709 B9R1.3 CC1=CC=NC(Cl)=C1F 28842 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.3 CC1=CC=NC(Cl)=C1N 28383 [0,2,0,0,0,0|2,0,0]=4 711 B9R1.3 CC1=CN=CC(Br)=C1C 29340 [0,2,0,0,0,0|2,0,0]=4 712 B9R1.3 CC1=CN=CC(C)=C1Br 26410 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.3 CC1=CN=CC(C)=C1N 24012 [0,2,0,0,0,0|2,0,0]=4 714 B9R1.3 CC1=NC=CC(Br)=C1N 29438 [0,2,0,0,0,0|2,0,0]=4 715 B9R1.3 CC1=[N+]([O-])C=CC=C1Br 29395 [0,2,0,0,0,0|1,0,1]=4 716 B9R1.3 ClC1=CN=CC(Cl)=C1Cl 27693 [0,2,0,0,0,0|2,0,0]=4 717 B9R1.3 NC1=C(Cl)C=CN=C1Cl 29193 [0,2,0,0,0,0|2,0,0]=4 718 B9R1.3 NC1=C(Cl)C=NC=C1Cl 27916 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.3 NC1=C(F)C=NC=C1F 17672 [0,2,0,0,0,0|2,0,0]=4 720 B9R1.3 NC1=CC=CC(Cl)=C1I 18889 [0,2,0,0,0,0|1,0,0]=3 721 B9R1.3 NC1=CC=NC(Cl)=C1N 29005 [0,2,0,0,0,0|2,0,0]=4 722 B9R1.3 O=C1C(Cl)=CNC=C1Cl 27692 [0,2,0,0,0,0|1,0,1]=4 723 B9R1.3 OC1=CC=CC(O)=C1Br 29047 [0,2,0,0,0,0|0,0,0]=2 724 B9R1.3 OC1=CC=CC(O)=C1Cl 31173 [0,2,0,0,0,0|0,0,0]=2 725 B9R1.3 OC1=CC=CC(O)=C1O 22779 [0,2,0,0,0,0|0,0,0]=2 726 B9R1.34 CC1=CC(C)=CC(Br)=C1 30881 [0,2,0,0,0,0|1,0,0]=3 727 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 29121 [0,2,0,0,0,0|2,0,0]=4 728 B9R1.34 CC1=CC(Cl)=NC(Br)=C1 29233 [0,2,0,0,0,0|2,0,0]=4 729 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 26284 [0,2,0,0,0,0|2,0,0]=4 730 B9R1.34 CC1=CC(Cl)=NC(N)=C1 29231 [0,2,0,0,0,0|2,0,0]=4 731 B9R1.34 CC1=CC(N)=CC(Br)=C1 26288 [0,2,0,0,0,0|1,0,0]=3 732 B9R1.34 CC1=CC(N)=CC(Br)=N1 26405 [0,2,0,0,0,0|2,0,0]=4 733 B9R1.34 CC1=CC(N)=CC(C)=N1 18667 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.34 CC1=CC(O)=CC(O)=C1 00235 [0,2,0,0,0,0|0,0,0]=2 735 B9R1.34 CC1=CC(O)=CC(O)=C1 21964 [0,2,0,0,0,0|0,0,0]=2 736 B9R1.34 CC1=CC(O)=CC(O)=N1 28560 [0,2,0,0,0,0|1,0,0]=3 737 B9R1.34 CC1=NC(O)=CC(O)=N1 22017 [0,2,0,0,0,0|2,0,0]=4 738 B9R1.34 ClC1=CC(Br)=CC(Cl)=N1 30731 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.34 ClC1=CC(I)=CC(Cl)=N1 29014 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.34 NC1=CC(Br)=NC(Br)=C1 28254 [0,2,0,0,0,0|2,0,0]=4 741 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 27715 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.34 NC1=NC(Cl)=CC(Cl)=C1 18053 [0,2,0,0,0,0|2,0,0]=4 743 B9R1.34 NC1=NC(O)=CC(O)=N1 28234 [0,2,0,0,0,0|2,0,0]=4 744 B9R1.34 NC1=NC(O)=NC(O)=C1 21859 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.34 OC1=CC(Br)=NC(Br)=C1 29955 [0,2,0,0,0,0|1,0,0]=3 746 B9R1.34 OC1=CC(Cl)=NC(Cl)=C1 26131 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.34 OC1=CC(O)=CC(O)=C1 01479 [0,2,0,0,0,0|0,0,0]=2 748 B9R1.34 OC1=CC(O)=CC(O)=C1 24456 [0,2,0,0,0,0|0,0,0]=2 749 B9R1.34 [O-][N+]1=CC(Br)=CC(Br)=C1 28122 [0,2,0,0,0,0|1,0,1]=4 750 B5R1.1 C1=CNC=N1 00418 [1,0,0,0,1,0|2,0,0]=4 751 B5R1.1 C1=CNC=N1 01178 [1,0,0,0,1,0|2,0,0]=4 752 B5R1.1 C1=CNC=N1 01546 [1,0,0,0,1,0|2,0,0]=4 753 B5R1.1 C1=CNN=C1 02354 [1,0,0,0,1,0|2,0,0]=4 754 B5R1.1 C1=CON=C1 01809 [1,0,0,0,1,0|2,0,0]=4 755 B5R1.1 C1=CSC=N1 03607 [1,0,0,0,1,0|2,0,0]=4