0 B8R1.2 BrCC1=CC=CC=C1 00332 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 C#CC1=CC=CC=C1 24540 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 CC[N+]1=CC=CC=C1 31419 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 CNC1=CN=CC=C1 18208 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 COC1=CC=CC=C1 02045 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 COC1=CC=NC=C1 28387 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.2 COC1=NC=CC=C1 27017 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 ClCC1=CC=CN=C1 06928 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 ClCC1=CC=NC=C1 06929 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 ClCC1=CN=CN=C1 24067 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 ClCC1=NC=CC=C1 06927 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.2 N#CC1=CC=CC=C1 27352 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.2 N#CC1=CC=NC=C1 27057 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.2 N#CC1=NC=CN=C1 27679 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.2 NCC1=CC=CC=C1 29916 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.2 NCC1=CC=CN=C1 27056 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 NCC1=CC=NC=C1 27066 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 NCC1=CC=NC=C1 28201 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 NCC1=CN=CC=N1 23715 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.2 NCC1=NC=CC=N1 18223 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 NCC1=NC=CC=N1 23716 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.2 NNC1=CC=CC=C1 02348 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 NNC1=CN=CC=N1 17541 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.2 NNC1=NC=CC=N1 25034 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.2 O=CC1=CC=NC=C1 07252 [0,0,0,0,0,0|2,1,1]=4 25 B8R1.2 O=CC1=NC=CC=C1 02023 [0,0,0,0,0,0|0,1,1]=2 26 B8R1.2 O=CC1=NC=CN=C1 17542 [0,0,0,0,0,0|1,1,1]=3 27 B8R1.2 OCC1=CC=CC=C1 00371 [0,0,0,0,0,0|1,1,0]=2 28 B8R1.2 OCC1=CC=CN=C1 27054 [0,0,0,0,0,0|2,1,0]=3 29 B8R1.2 OCC1=CC=CN=N1 26187 [0,0,0,0,0,0|1,1,0]=2 30 B8R1.2 OCC1=CC=NC=C1 12966 [0,0,0,0,0,0|2,1,0]=3 31 B8R1.2 OCC1=CN=CN=C1 26173 [0,0,0,0,0,0|3,1,0]=4 32 B7R1.3 BrC1=CC=CN=C1 27044 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 BrC1=CC=CN=C1 29560 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 BrC1=CC=NC=C1 28252 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 BrC1=NC=CC=C1 30363 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.3 CC1=CC=CC=C1 01740 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 CC1=CC=CC=C1 30234 [1,0,0,0,0,0|1,0,0]=2 38 B7R1.3 CC1=CC=CN=C1 27052 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 CC1=CC=NC=C1 29179 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 CC1=NC=CC=C1 27038 [1,0,0,0,0,0|0,0,0]=1 41 B7R1.3 CC1=NC=CN=C1 31194 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 ClC1=CC=CN=C1 27046 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 ClC1=CC=NC=C1 27337 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.3 ClC1=NC=CC=C1 32073 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.3 ClC1=NC=CC=N1 26977 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 ClC1=NN=CC=C1 26208 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 FC1=CC=CN=C1 27045 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 FC1=NC=CC=C1 27001 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.3 IC1=CC=CC=N1 30769 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.3 IC1=CC=CN=C1 22280 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.3 NC1=CC=NC=C1 27983 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.3 NC1=NC=CC=C1 27027 [1,0,0,0,0,0|1,0,0]=2 53 B7R1.3 NC1=NC=CN=C1 24511 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 O=C1C=CNC=N1 27537 [1,0,0,0,0,0|1,1,0]=3 55 B7R1.3 OC1=CC=CN=C1 02324 [1,0,0,0,0,0|2,1,0]=4 56 B7R1.3 OC1=NC=CC=C1 02323 [1,0,0,0,0,0|0,1,0]=2 57 B7R1.3 OC1=NC=CC=N1 28592 [1,0,0,0,0,0|1,1,0]=3 58 B7R1.3 SC1=NC=CC=C1 12993 [1,0,0,0,0,0|0,0,0]=1 59 B7R1.3 SC1=NC=CC=N1 26978 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.3 [O-][N+]1=CC=CC=C1 26988 [1,0,0,0,0,0|2,1,0]=4 61 B7R1.3 [SiH3]C1=CC=CC=C1 31483 [1,0,0,0,0,0|1,1,0]=3 62 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.1 C#CC1=CC=C(N)C=C1 28132 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 CC1=CC=C(CO)C=C1 15163 [0,1,0,0,0,0|1,1,0]=3 66 B9R1.1 CC1=CN=C(C#N)C=C1 28914 [0,1,0,0,0,0|1,0,1]=3 67 B9R1.1 CC1=CN=C(C=O)C=N1 26660 [0,1,0,0,0,0|1,1,1]=4 68 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.1 CNC1=CC=C(O)C=C1 32029 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.1 COC1=CC=C(Br)C=C1 30359 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.1 COC1=CC=C(Br)C=N1 28496 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 COC1=CC=C(C)C=C1 27173 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.1 COC1=CC=C(C)C=N1 29129 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.1 COC1=CC=C(F)C=C1 30024 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.1 COC1=CC=C(I)C=N1 29054 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.1 COC1=CN=C(N)C=N1 26326 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.1 COC1=NC=C(Cl)C=C1 19104 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.1 COC1=NC=C(N)C=C1 27019 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.1 COC1=NN=C(N)C=C1 31171 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.1 ClCC1=CN=C(Cl)C=C1 27917 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.1 N#CC1=CC=C(Br)C=N1 25758 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.1 N#CC1=CC=C(N)C=N1 28683 [0,1,0,0,0,0|1,0,1]=3 83 B9R1.1 N#CC1=CN=C(Br)C=N1 26327 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.1 N#CC1=CN=C(N)C=N1 26243 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.1 N#CC1=NC=C(Br)C=N1 29983 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.1 N#CC1=NC=C(Cl)C=C1 28788 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.1 N#CC1=NC=C(Cl)N=C1 26290 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.1 NC1=CC=C(CCl)N=C1 29166 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.1 NC1=CC=C(CO)C=C1 29757 [0,1,0,0,0,0|1,1,0]=3 90 B9R1.1 NCC1=CC=C(Br)N=C1 19332 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.1 NCC1=CC=C(O)C=C1 17203 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.1 NNC1=CC=C(Cl)N=N1 25697 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.1 NNC1=CC=C(F)C=C1 31299 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [0,1,0,0,0,0|1,1,1]=4 96 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [0,1,0,0,0,0|1,1,1]=4 97 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [0,1,0,0,0,0|1,1,1]=4 98 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [0,1,0,0,0,0|1,1,1]=4 99 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [0,1,0,0,0,0|1,1,1]=4 100 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [0,1,0,0,0,0|1,1,1]=4 101 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [0,1,0,0,0,0|1,1,0]=3 102 B9R1.1 OCC1=CC=C(F)C=C1 30025 [0,1,0,0,0,0|1,1,0]=3 103 B9R1.1 OCC1=CC=C(O)C=C1 00198 [0,1,0,0,0,0|1,1,0]=3 104 B9R1.1 OCC1=CN=C(Br)C=C1 17561 [0,1,0,0,0,0|2,1,0]=4 105 B9R1.1 OCC1=NC=C(Cl)C=C1 26335 [0,1,0,0,0,0|0,1,0]=2 106 B9R1.2 BrCC1=CC(Br)=CC=C1 00425 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.2 C#CC1=CC=CC(N)=C1 27389 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.2 CC1=CC(C#N)=NC=C1 27929 [0,1,0,0,0,0|1,0,1]=3 109 B9R1.2 CC1=CC(CN)=NC=C1 26193 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.2 CC1=CN=CC(CCl)=C1 29342 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.2 CC1=NC(CCl)=CC=C1 28539 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.2 CC1=NC(CN)=CC=C1 17766 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.2 CCC1=CC(Br)=NC=C1 28599 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.2 CCC1=CC(N)=NC=C1 27934 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.2 CCC1=CC=CC(Br)=C1 28104 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.2 CCC1=CC=CC(O)=C1 26816 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.2 CCC1=CC=CC(O)=C1 29553 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.2 CCC1=NC(C)=CC=C1 27484 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.2 COC1=CC(Cl)=CC=N1 17704 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.2 COC1=CC(N)=CC=N1 17450 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.2 COC1=CC=CC(Br)=C1 21480 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.2 COC1=CC=CC(C)=N1 28841 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.2 COC1=CC=CC(Cl)=C1 26754 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.2 COC1=CC=CC(F)=C1 30017 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.2 COC1=CC=CC(N)=N1 17159 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.2 COC1=CC=CC(O)=C1 00432 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.2 COC1=NC(Br)=CC=C1 27894 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.2 COC1=NC(Br)=CN=C1 26337 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.2 COC1=NC(Cl)=CC=C1 27020 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.2 COC1=NC=CC(Br)=N1 26320 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.2 COC1=NC=CC(C)=C1 28913 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.2 COC1=NC=CC(N)=N1 24717 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.2 CSC1=NC=CC(=O)N1 17249 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.2 CSC1=NC=CC(Cl)=N1 29981 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.2 ClC1=CC(CBr)=CC=C1 14035 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.2 FC1=CC(CBr)=CC=C1 07254 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.2 N#CC1=CC=CC(Cl)=N1 28316 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.2 N#CC1=CC=CC(N)=C1 27142 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.2 N#CC1=CC=NC(Cl)=N1 24718 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.2 N#CC1=NC(Br)=CC=C1 28258 [0,1,0,0,0,0|1,0,1]=3 141 B9R1.2 N#CC1=NC(Cl)=CN=C1 26289 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.2 NCC1=CC(I)=CC=C1 28182 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.2 NCC1=CC=CC(I)=C1 27339 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [0,1,0,0,0,0|1,1,1]=4 145 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [0,1,0,0,0,0|1,1,1]=4 146 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [0,1,0,0,0,0|1,1,1]=4 147 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [0,1,0,0,0,0|1,1,1]=4 148 B9R1.2 O=CC1=CC=CC(Br)=N1 16982 [0,1,0,0,0,0|0,1,1]=3 149 B9R1.2 OCC1=CC(F)=CC=C1 31155 [0,1,0,0,0,0|1,1,0]=3 150 B9R1.2 OCC1=NC(Br)=CC=C1 24708 [0,1,0,0,0,0|0,1,0]=2 151 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [0,1,0,0,0,0|1,1,1]=4 152 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [0,1,0,0,0,0|1,1,1]=4 153 B9R1.6 CC(N)C1=CC=NC=C1 17007 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.6 CC(N)C1=CN=CC=C1 17106 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.6 CC(N)C1=NC=CC=C1 17105 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.6 N=C(N)C1=NC=CC=N1 31276 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.6 NC(=O)C1=NC=CN=C1 22211 [0,1,0,0,0,0|1,1,1]=4 162 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,1,0,0,0,0|1,1,1]=4 163 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,1,0,0,0,0|1,1,1]=4 164 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,1,0,0,0,0|1,1,1]=4 165 B9R1.6 O=C(O)C1=NC=CC=C1 03556 [0,1,0,0,0,0|0,1,1]=3 166 B9R1.6 O=C(O)C1=NC=CC=N1 17811 [0,1,0,0,0,0|1,1,1]=4 167 B9R1.6 O=C(O)C1=NC=CN=C1 26983 [0,1,0,0,0,0|1,1,1]=4 168 B9R1.6 O=C(O)C1=NC=NC=C1 17543 [0,1,0,0,0,0|1,1,1]=4 169 B9R1.6 O=C(O)C1=NN=CC=C1 24005 [0,1,0,0,0,0|1,1,1]=4 170 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [0,1,0,0,0,0|1,1,1]=4 171 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [0,1,0,0,0,0|1,1,1]=4 172 B9R1.6 OB(O)C1=CC=CC=C1 26799 [0,1,0,0,0,0|2,1,0]=4 173 B9R1.6 OB(O)C1=CC=CC=C1 29551 [0,1,0,0,0,0|2,1,0]=4 174 B9R1.6 OB(O)C1=CC=CC=N1 31151 [0,1,0,0,0,0|1,1,0]=3 175 B9R1.8 CCCC1=CC=CC=C1 27219 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.8 CCCC1=CC=CC=C1 29530 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.8 CCOC1=CC=CC=C1 30856 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.8 CCOC1=NC=CC=C1 27481 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.8 CNCC1=CC=CC=C1 23236 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.8 CNCC1=CC=CN=C1 23300 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.8 CNCC1=CC=NC=C1 23632 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.8 CNCC1=NC=CC=C1 23554 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.8 CNCC1=NC=CN=C1 17803 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.8 COCC1=CC=CN=C1 29457 [0,1,0,0,0,0|2,1,0]=4 185 B9R1.8 COCC1=CC=NC=C1 29392 [0,1,0,0,0,0|2,1,0]=4 186 B9R1.8 COCC1=NC=CC=C1 27516 [0,1,0,0,0,0|0,1,0]=2 187 B9R1.8 NCCC1=CC=CC=C1 21747 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.8 NCCC1=NC=CN=C1 17453 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.8 NCCC1=NC=CN=C1 23818 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.8 NOCC1=CC=CC=C1 02279 [0,1,0,0,0,0|1,1,0]=3 191 B9R1.8 OCCC1=CC=CC=C1 01623 [0,1,0,0,0,0|1,1,0]=3 192 B9R1.8 ONCC1=CC=CC=C1 31261 [0,1,0,0,0,0|1,1,0]=3 193 B9R1.8 O\N=C\C1=NC=CC=C1 00944 [0,1,0,0,0,0|0,1,1]=3 194 B9R1.8 O\N=C\C1=NC=CC=C1 28129 [0,1,0,0,0,0|0,1,1]=3 195 B9R1.8 S=C=NC1=CC=CC=C1 24479 [0,1,0,0,0,0|1,0,2]=4 196 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.15 CC1=C(C#N)N=CC=C1 28162 [0,1,0,0,0,0|1,0,1]=3 198 B9R1.15 CC1=C(CN)C=CN=C1 18175 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.15 CC1=NC=CN=C1C=O 26658 [0,1,0,0,0,0|1,1,1]=4 200 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.15 CCC1=C(O)C=CC=C1 26809 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.15 COC1=C(Br)C=CC=C1 30420 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.15 COC1=C(F)C=CC=C1 30023 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.15 COC1=C(I)C=CC=C1 26768 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.15 COC1=C(I)C=CC=N1 17151 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.15 COC1=NC=CC=C1Br 18024 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.15 COC1=NC=CC=C1N 30330 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.15 COC1=NC=CN=C1N 26188 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.15 N#CC1=C(Br)C=CC=N1 28644 [0,1,0,0,0,0|1,0,1]=3 212 B9R1.15 N#CC1=C(N)C=CC=N1 17258 [0,1,0,0,0,0|1,0,1]=3 213 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [0,1,0,0,0,0|2,0,1]=4 214 B9R1.15 NC1=C(CCl)C=CC=N1 18029 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.15 NC1=C(CO)C=CC=N1 17074 [0,1,0,0,0,0|2,1,0]=4 216 B9R1.15 NC1=CN=CC=C1CO 17398 [0,1,0,0,0,0|2,1,0]=4 217 B9R1.15 NCC1=C(Cl)C=CC=N1 19564 [0,1,0,0,0,0|1,0,0]=2 218 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.15 NNC1=C(Cl)C=CC=N1 26149 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.15 O=CC1=C(Br)C=CC=C1 21252 [0,1,0,0,0,0|1,1,1]=4 221 B9R1.15 O=CC1=C(F)C=CC=C1 30013 [0,1,0,0,0,0|1,1,1]=4 222 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [0,1,0,0,0,0|1,1,1]=4 223 B9R1.15 O=CC1=NC=CN=C1Cl 20124 [0,1,0,0,0,0|1,1,1]=4 224 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [0,1,0,0,0,0|1,1,0]=3 225 B9R1.15 OCC1=C(F)C=CC=C1 31154 [0,1,0,0,0,0|1,1,0]=3 226 B9R1.15 OCC1=CC=CN=C1Cl 17223 [0,1,0,0,0,0|2,1,0]=4 227 B9R1.15 OCC1=NC=CC=C1O 27043 [0,1,0,0,0,0|0,1,0]=2 228 B9R1.15 [O-][N+]1=CC=CC=C1CCl 26338 [0,1,0,0,0,0|1,0,1]=3 229 B7R1.1 CCC1=NC=CN1 26929 [0,0,0,0,1,0|2,0,0]=3 230 B7R1.1 CCN1C=CN=C1 30433 [0,0,0,0,1,0|3,0,0]=4 231 B7R1.1 CNC1=CC=CS1 29398 [0,0,0,0,1,0|3,0,0]=4 232 B7R1.1 CNC1=NOC=C1 18181 [0,0,0,0,1,0|3,0,0]=4 233 B7R1.1 CSC1=CNC=N1 24296 [0,0,0,0,1,0|3,0,0]=4 234 B7R1.1 ClCC1=CSC=N1 28601 [0,0,0,0,1,0|2,0,0]=3 235 B7R1.1 ClCC1=NC=CO1 18709 [0,0,0,0,1,0|2,0,0]=3 236 B7R1.1 N#CC1=COC=N1 20847 [0,0,0,0,1,0|2,0,1]=4 237 B7R1.1 N#CC1=CSC=C1 28089 [0,0,0,0,1,0|2,0,1]=4 238 B7R1.1 NCC1=CC=NN1 17985 [0,0,0,0,1,0|2,0,1]=4 239 B7R1.1 NCC1=CC=NO1 18182 [0,0,0,0,1,0|3,0,0]=4 240 B7R1.1 NCC1=CN=CO1 20845 [0,0,0,0,1,0|3,0,0]=4 241 B7R1.1 NCC1=CN=CS1 19378 [0,0,0,0,1,0|3,0,0]=4 242 B7R1.1 NCC1=CNN=N1 19305 [0,0,0,0,1,0|3,0,0]=4 243 B7R1.1 NCC1=COC=N1 20843 [0,0,0,0,1,0|2,0,0]=3 244 B7R1.1 NCC1=COC=N1 20844 [0,0,0,0,1,0|2,0,0]=3 245 B7R1.1 NCC1=CON=C1 19372 [0,0,0,0,1,0|3,0,0]=4 246 B7R1.1 NCC1=CSC=N1 19377 [0,0,0,0,1,0|2,0,0]=3 247 B7R1.1 NCC1=NC=CN1 17521 [0,0,0,0,1,0|2,0,0]=3 248 B7R1.1 NCC1=NC=CN1 18174 [0,0,0,0,1,0|2,0,0]=3 249 B7R1.1 NCC1=NC=CS1 19376 [0,0,0,0,1,0|2,0,0]=3 250 B7R1.1 NCC1=NC=NN1 18727 [0,0,0,0,1,0|3,0,0]=4 251 B7R1.1 O=CC1=CC=CO1 32011 [0,0,0,0,1,0|1,1,1]=4 252 B7R1.1 O=CC1=CC=CS1 26946 [0,0,0,0,1,0|1,1,1]=4 253 B7R1.1 O=CC1=CNC=N1 28139 [0,0,0,0,1,0|1,1,1]=4 254 B7R1.1 O=CC1=COC=N1 19470 [0,0,0,0,1,0|1,1,1]=4 255 B7R1.1 O=CC1=CSC=N1 17392 [0,0,0,0,1,0|1,1,1]=4 256 B7R1.1 O=CC1=NC=CN1 29496 [0,0,0,0,1,0|1,1,1]=4 257 B7R1.1 O=CC1=NC=CO1 19466 [0,0,0,0,1,0|1,1,1]=4 258 B7R1.1 O=CC1=NC=CS1 24611 [0,0,0,0,1,0|1,1,1]=4 259 B7R1.1 O=CC1=NNC=C1 17422 [0,0,0,0,1,0|1,1,1]=4 260 B7R1.1 O=CC1=NOC=C1 17795 [0,0,0,0,1,0|1,1,1]=4 261 B7R1.1 OCC1=CC=CS1 14033 [0,0,0,0,1,0|1,1,0]=3 262 B7R1.1 OCC1=CC=NO1 17531 [0,0,0,0,1,0|2,1,0]=4 263 B7R1.1 OCC1=CN=CS1 28873 [0,0,0,0,1,0|2,1,0]=4 264 B7R1.1 OCC1=COC=C1 26943 [0,0,0,0,1,0|1,1,0]=3 265 B7R1.1 OCC1=CSC=N1 28872 [0,0,0,0,1,0|1,1,0]=3 266 B7R1.1 OCC1=NC=CS1 24020 [0,0,0,0,1,0|1,1,0]=3 267 B7R1.1 SCC1=CC=CO1 31196 [0,0,0,0,1,0|1,0,0]=2 268 B6R1.1 C1=CC=NC=C1 00762 [2,0,0,0,0,0|0,0,0]=2 269 B6R1.1 C1=CC=NC=C1 02006 [2,0,0,0,0,0|0,0,0]=2 270 B6R1.1 C1=CC=NC=C1 14289 [2,0,0,0,0,0|0,0,0]=2 271 B6R1.1 C1=CC=NC=C1 16894 [2,0,0,0,0,0|0,0,0]=2 272 B6R1.1 C1=CC=NC=C1 27333 [2,0,0,0,0,0|0,0,0]=2 273 B6R1.1 C1=CC=NC=C1 29993 [2,0,0,0,0,0|0,0,0]=2 274 B6R1.1 C1=NC=NC=N1 31505 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.3 BrC1=CC=C(Br)C=C1 26734 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.3 BrC1=CC=C(Br)C=C1 29550 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.3 BrC1=CC=C(I)N=C1 25762 [1,1,0,0,0,0|1,0,0]=3 278 B8R1.3 BrC1=CN=C(Br)C=C1 24773 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.3 BrC1=CN=C(Br)C=N1 29073 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.3 BrC1=CN=C(I)N=C1 32048 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.3 BrC1=NC=C(I)C=C1 25761 [1,1,0,0,0,0|1,0,0]=3 282 B8R1.3 BrC1=NN=C(Br)C=C1 28238 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.3 CC1=CC=C(Cl)N=C1 28395 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.3 CC1=CC=C(F)C=C1 30018 [1,1,0,0,0,0|1,0,0]=3 285 B8R1.3 CC1=CC=C(F)C=N1 31011 [1,1,0,0,0,0|0,0,0]=2 286 B8R1.3 CC1=CC=C(N)C=N1 28425 [1,1,0,0,0,0|0,0,0]=2 287 B8R1.3 CC1=CC=C(O)C=C1 02046 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.3 CC1=CC=C(S)N=C1 28655 [1,1,0,0,0,0|0,0,0]=2 289 B8R1.3 CC1=CC=[N+]([O-])C=C1 26997 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.3 CC1=CN=C(Br)C=C1 28196 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.3 CC1=CN=C(C)C=N1 29787 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.3 CC1=CN=C(F)C=C1 29327 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.3 CC1=CN=C(N)C=C1 16973 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.3 CC1=CN=C(N)C=N1 20422 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.3 CC1=CN=C(O)C=C1 28671 [1,1,0,0,0,0|0,1,0]=3 296 B8R1.3 CC1=NC=C(Br)C=C1 16976 [1,1,0,0,0,0|0,0,0]=2 297 B8R1.3 CC1=NC=C(Cl)C=C1 28861 [1,1,0,0,0,0|0,0,0]=2 298 B8R1.3 CC1=NC=C(I)C=C1 29038 [1,1,0,0,0,0|0,0,0]=2 299 B8R1.3 CC1=NC=C(O)C=C1 27039 [1,1,0,0,0,0|0,0,0]=2 300 B8R1.3 ClC1=CC=C(Br)C=N1 28495 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.3 ClC1=CC=C(Br)N=C1 28243 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.3 ClC1=CC=C(Cl)C=C1 31165 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.3 ClC1=CC=C(I)C=N1 25903 [1,1,0,0,0,0|1,0,0]=3 304 B8R1.3 ClC1=CC=C(I)N=C1 29018 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.3 ClC1=CN=C(Br)C=N1 26258 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.3 ClC1=CN=C(Cl)C=C1 27007 [1,1,0,0,0,0|1,0,0]=3 307 B8R1.3 ClC1=CN=C(Cl)C=C1 28912 [1,1,0,0,0,0|1,0,0]=3 308 B8R1.3 ClC1=NC=C(I)C=N1 24348 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.3 FC1=CC=C(Br)C=C1 30412 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.3 FC1=CC=C(Br)N=C1 28247 [1,1,0,0,0,0|1,0,0]=3 311 B8R1.3 FC1=CC=C(Cl)C=N1 28844 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.3 FC1=CN=C(Br)N=C1 26305 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.3 FC1=CN=C(Cl)C=C1 28720 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.3 FC1=NC=C(I)C=C1 28716 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.3 IC1=CC=C(I)C=C1 26770 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.3 IC1=CC=C(I)N=C1 28251 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.3 NC1=CC=C(Br)C=C1 29844 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.3 NC1=CC=C(Br)N=C1 28526 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.3 NC1=CC=C(F)N=C1 17046 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.3 NC1=CC=C(I)C=C1 27150 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.3 NC1=CC=C(I)C=N1 25748 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.3 NC1=CC=C(I)N=C1 25750 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.3 NC1=CC=C(O)C=N1 29569 [1,1,0,0,0,0|1,0,0]=3 324 B8R1.3 NC1=CN=C(Br)C=N1 17087 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.3 NC1=CN=C(Cl)C=C1 25555 [1,1,0,0,0,0|1,0,0]=3 326 B8R1.3 NC1=CN=C(Cl)N=C1 26196 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.3 NC1=CN=C(N)C=C1 27586 [1,1,0,0,0,0|1,0,0]=3 328 B8R1.3 NC1=CNC(=O)C=C1 29435 [1,1,0,0,0,0|0,1,1]=4 329 B8R1.3 NC1=NC=C(Br)C=C1 27033 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.3 NC1=NC=C(Cl)C=C1 27034 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.3 NC1=NC=C(F)C=N1 29344 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.3 NC1=NC=C(O)C=C1 17752 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.3 OC1=CC=C(Br)C=N1 25760 [1,1,0,0,0,0|0,1,0]=3 334 B8R1.3 OC1=CC=C(Cl)N=C1 28255 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.3 OC1=CC=C(F)C=C1 31762 [1,1,0,0,0,0|1,1,0]=4 336 B8R1.3 OC1=CC=C(F)C=N1 29416 [1,1,0,0,0,0|0,1,0]=3 337 B8R1.3 OC1=CN=C(Br)C=C1 28860 [1,1,0,0,0,0|1,0,0]=3 338 B8R1.3 OC1=NC=C(Cl)C=C1 27022 [1,1,0,0,0,0|0,1,0]=3 339 B8R1.3 OC1=NC=C(Cl)C=N1 10645 [1,1,0,0,0,0|1,1,0]=4 340 B8R1.3 OC1=NC=C(I)C=C1 25749 [1,1,0,0,0,0|0,1,0]=3 341 B8R1.4 BrC1=CC(Br)=NC=C1 28828 [1,1,0,0,0,0|1,0,0]=3 342 B8R1.4 BrC1=CC=CC(Br)=C1 26732 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.4 BrC1=NC(Br)=NC=C1 29002 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.4 BrC1=NC=CC(I)=C1 28666 [1,1,0,0,0,0|1,0,0]=3 345 B8R1.4 CC1=CC(Br)=CC=N1 17038 [1,1,0,0,0,0|0,0,0]=2 346 B8R1.4 CC1=CC(Br)=NC=C1 27873 [1,1,0,0,0,0|1,0,0]=3 347 B8R1.4 CC1=CC(N)=CC=N1 28156 [1,1,0,0,0,0|0,0,0]=2 348 B8R1.4 CC1=CC(O)=CC=C1 03571 [1,1,0,0,0,0|1,0,0]=3 349 B8R1.4 CC1=CC(O)=CN=C1 28367 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.4 CC1=CC=CC(=O)N1 28328 [1,1,0,0,0,0|0,0,1]=3 351 B8R1.4 CC1=CC=CC(Br)=N1 27580 [1,1,0,0,0,0|0,0,0]=2 352 B8R1.4 CC1=CC=CC(C)=N1 00800 [1,1,0,0,0,0|0,0,0]=2 353 B8R1.4 CC1=CC=CC(Cl)=N1 27011 [1,1,0,0,0,0|0,0,0]=2 354 B8R1.4 CC1=CC=CC(F)=C1 30020 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.4 CC1=CC=CC(F)=N1 27601 [1,1,0,0,0,0|0,0,0]=2 356 B8R1.4 CC1=CC=CC(I)=C1 26769 [1,1,0,0,0,0|1,0,0]=3 357 B8R1.4 CC1=CC=CC(N)=N1 27037 [1,1,0,0,0,0|0,0,0]=2 358 B8R1.4 CC1=CC=C[N+]([O-])=C1 26993 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.4 CC1=CC=NC(O)=C1 27954 [1,1,0,0,0,0|0,1,0]=3 360 B8R1.4 CC1=CN=CC(Br)=C1 17060 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.4 CC1=CN=CC(Br)=N1 26267 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.4 CC1=CN=CC(C)=C1 27053 [1,1,0,0,0,0|2,0,0]=4 363 B8R1.4 CC1=CN=CC(Cl)=C1 28865 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.4 CC1=CN=CC(F)=C1 17150 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.4 CC1=CN=CC(N)=C1 17044 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.4 CC1=CN=CC(N)=C1 29247 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.4 CC1=CN=NC(Cl)=C1 26294 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.4 CC1=NC=CC(Cl)=C1 27551 [1,1,0,0,0,0|0,0,0]=2 369 B8R1.4 ClC1=CC(Br)=CC=C1 30362 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.4 ClC1=CC(Br)=NC=C1 28806 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.4 ClC1=CC(Cl)=NC=C1 28447 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.4 ClC1=CC(Cl)=NC=N1 24509 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.4 ClC1=CC(Cl)=NN=C1 31470 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.4 ClC1=CC=CC(Br)=N1 28148 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.4 ClC1=CC=CC(Cl)=N1 27010 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.4 ClC1=CN=CC(Cl)=N1 24510 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.4 ClC1=NC(Cl)=NC=C1 24507 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.4 ClC1=NC=CC(Br)=C1 28805 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.4 ClC1=NC=CC(I)=C1 28566 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.4 FC1=CC(Br)=NC=C1 26279 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.4 FC1=CC(I)=CC=N1 28675 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.4 FC1=CC=CC(Br)=N1 28712 [1,1,0,0,0,0|1,0,0]=3 383 B8R1.4 NC1=CC(Br)=CC=C1 27143 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.4 NC1=CC(Br)=CC=N1 17206 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.4 NC1=CC(Cl)=NC=C1 16972 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.4 NC1=CC(F)=NC=C1 17653 [1,1,0,0,0,0|1,0,0]=3 387 B8R1.4 NC1=CC=CC(Br)=N1 24610 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.4 NC1=CC=CC(Cl)=N1 28256 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.4 NC1=CC=CC(N)=C1 27147 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.4 NC1=CC=CC(N)=N1 27036 [1,1,0,0,0,0|1,0,0]=3 391 B8R1.4 NC1=CC=NC(Br)=C1 28521 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.4 NC1=CC=NC(O)=C1 18971 [1,1,0,0,0,0|0,1,0]=3 393 B8R1.4 NC1=NC(=O)NC=C1 00814 [1,1,0,0,0,0|1,1,0]=4 394 B8R1.4 NC1=NC(Cl)=NC=C1 23191 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.4 NC1=NC(F)=CC=C1 17512 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.4 NC1=NC=CC(Cl)=C1 17039 [1,1,0,0,0,0|1,0,0]=3 397 B8R1.4 NC1=NC=CC(Cl)=C1 29410 [1,1,0,0,0,0|1,0,0]=3 398 B8R1.4 NC1=NC=CC(O)=C1 17441 [1,1,0,0,0,0|1,0,0]=3 399 B8R1.4 O=C1C=C(Br)C=CN1 29326 [1,1,0,0,0,0|0,1,1]=4 400 B8R1.4 OC1=CC(O)=NC=N1 27415 [1,1,0,0,0,0|1,1,0]=4 401 B8R1.4 OC1=CC=CC(O)=C1 30180 [1,1,0,0,0,0|1,1,0]=4 402 B8R1.4 OC1=CC=NC(Cl)=C1 28524 [1,1,0,0,0,0|1,0,0]=3 403 B8R1.4 OC1=NC(Cl)=CC=C1 28450 [1,1,0,0,0,0|0,1,0]=3 404 B8R1.4 OC1=NC=CC(S)=N1 21484 [1,1,0,0,0,0|1,0,0]=3 405 B8R1.5 BrC1=C(Br)C=CC=C1 26731 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.5 BrC1=C(Br)C=CC=C1 29549 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.5 BrC1=C(Br)N=CC=C1 28249 [1,1,0,0,0,0|1,0,0]=3 408 B8R1.5 BrC1=C(I)C=CC=C1 26767 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.5 CC1=C(Br)C=CC=N1 17037 [1,1,0,0,0,0|0,0,0]=2 410 B8R1.5 CC1=C(Br)N=CC=C1 28290 [1,1,0,0,0,0|1,0,0]=3 411 B8R1.5 CC1=C(Cl)C=CC=N1 28853 [1,1,0,0,0,0|0,0,0]=2 412 B8R1.5 CC1=C(Cl)N=CC=C1 28262 [1,1,0,0,0,0|1,0,0]=3 413 B8R1.5 CC1=C(F)C=CC=C1 30019 [1,1,0,0,0,0|1,0,0]=3 414 B8R1.5 CC1=C(F)C=NC=C1 28867 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.5 CC1=C(N)C=CC=N1 17034 [1,1,0,0,0,0|0,0,0]=2 416 B8R1.5 CC1=CC=CN=C1F 27598 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.5 CC1=CC=CN=C1I 28830 [1,1,0,0,0,0|1,0,0]=3 418 B8R1.5 CC1=CC=CN=C1N 27031 [1,1,0,0,0,0|1,0,0]=3 419 B8R1.5 CC1=CC=CN=C1O 27920 [1,1,0,0,0,0|0,1,0]=3 420 B8R1.5 CC1=CN=CC=C1Br 17700 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.5 CC1=CN=CC=C1Br 28527 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.5 CC1=CN=CC=C1N 28541 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.5 CC1=NC=CC=C1F 29136 [1,1,0,0,0,0|0,0,0]=2 424 B8R1.5 CC1=NC=CC=C1I 29187 [1,1,0,0,0,0|0,0,0]=2 425 B8R1.5 CC1=NC=CN=C1C 31192 [1,1,0,0,0,0|1,0,0]=3 426 B8R1.5 CC1=[N+]([O-])C=CC=C1 26990 [1,1,0,0,0,0|0,0,1]=3 427 B8R1.5 C[N+]1=C(Cl)C=CC=C1 04881 [1,1,0,0,0,0|1,0,1]=4 428 B8R1.5 ClC1=C(Br)C=CC=C1 30431 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.5 ClC1=C(Br)C=CC=N1 28244 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.5 ClC1=C(Br)N=CC=C1 28827 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.5 ClC1=C(I)C=CC=N1 28368 [1,1,0,0,0,0|1,0,0]=3 432 B8R1.5 ClC1=CC=CN=C1Cl 27002 [1,1,0,0,0,0|1,0,0]=3 433 B8R1.5 FC1=C(Br)C=CC=C1 30361 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.5 FC1=C(Br)C=CC=N1 28839 [1,1,0,0,0,0|1,0,0]=3 435 B8R1.5 FC1=CC=CN=C1Br 28855 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.5 FC1=CC=CN=C1Cl 28717 [1,1,0,0,0,0|1,0,0]=3 437 B8R1.5 FC1=CN=CN=C1Cl 24027 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.5 FC1=NC=CC=C1Cl 28856 [1,1,0,0,0,0|1,0,0]=3 439 B8R1.5 FC1=NC=CC=C1I 28713 [1,1,0,0,0,0|1,0,0]=3 440 B8R1.5 NC1=C(Br)C=CC=C1 27130 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.5 NC1=C(Br)N=CC=C1 17019 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.5 NC1=C(Cl)C=CC=N1 17023 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.5 NC1=C(F)C=CC=C1 27132 [1,1,0,0,0,0|2,0,0]=4 444 B8R1.5 NC1=C(I)C=CC=N1 28533 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.5 NC1=C(N)C=CC=C1 31478 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.5 NC1=CC=CN=C1Cl 16971 [1,1,0,0,0,0|1,0,0]=3 447 B8R1.5 NC1=CC=CN=C1F 17335 [1,1,0,0,0,0|1,0,0]=3 448 B8R1.5 NC1=CC=CN=C1I 29050 [1,1,0,0,0,0|1,0,0]=3 449 B8R1.5 NC1=CC=CN=C1N 24516 [1,1,0,0,0,0|1,0,0]=3 450 B8R1.5 NC1=CC=CN=C1O 28734 [1,1,0,0,0,0|0,1,0]=3 451 B8R1.5 NC1=CN=CN=C1Cl 26197 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.5 NC1=CN=CN=C1O 26403 [1,1,0,0,0,0|1,1,0]=4 453 B8R1.5 NC1=NC=CC=C1Br 28705 [1,1,0,0,0,0|1,0,0]=3 454 B8R1.5 NC1=NC=CC=C1F 18902 [1,1,0,0,0,0|1,0,0]=3 455 B8R1.5 NC1=NC=CC=C1O 16974 [1,1,0,0,0,0|1,0,0]=3 456 B8R1.5 O=C1NC=CC=C1Cl 29245 [1,1,0,0,0,0|0,1,1]=4 457 B8R1.5 OC1=C(I)N=CC=C1 27478 [1,1,0,0,0,0|1,0,0]=3 458 B8R1.5 OC1=C(O)C=CC=C1 00500 [1,1,0,0,0,0|1,1,0]=4 459 B8R1.5 OC1=CC=CN=C1Br 26999 [1,1,0,0,0,0|1,0,0]=3 460 B8R1.5 OC1=CC=CN=C1Cl 27006 [1,1,0,0,0,0|1,0,0]=3 461 B8R1.5 OC1=NC=CC=C1Br 28737 [1,1,0,0,0,0|0,1,0]=3 462 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 27938 [1,1,0,0,0,0|1,0,1]=4 463 B8R1.5 [O-][N+]1=C(S)C=CC=C1 26989 [1,1,0,0,0,0|0,0,1]=3 464 B8R1.5 [O-][N+]1=CC=CC=C1O 00785 [1,1,0,0,0,0|0,1,1]=4 465 B8R1.1 CC1=CSC(CO)=N1 26246 [0,1,0,0,1,0|1,1,0]=4 466 B8R1.1 CC1=NC(CN)=CS1 17362 [0,1,0,0,1,0|2,0,0]=4 467 B8R1.1 CCC1=NC(C)=CN1 26930 [0,1,0,0,1,0|2,0,0]=4 468 B8R1.1 CCC1=NNC(N)=C1 17738 [0,1,0,0,1,0|2,0,0]=4 469 B8R1.1 CN1C=NC(CO)=C1 17817 [0,1,0,0,1,0|1,1,0]=4 470 B8R1.1 NC1=NC(CCl)=CS1 18990 [0,1,0,0,1,0|2,0,0]=4 471 B8R1.1 OCC1=CSC(Br)=N1 24018 [0,1,0,0,1,0|1,1,0]=4 472 B8R1.7 CC(C)C1=NC=CN1 27377 [0,1,0,0,1,0|2,0,0]=4 473 B8R1.7 CC(N)C1=COC=C1 18499 [0,1,0,0,1,0|2,0,0]=4 474 B8R1.7 CC(N)C1=CSC=N1 18534 [0,1,0,0,1,0|2,0,0]=4 475 B8R1.8 CCCC1=NC=CN1 27740 [0,1,0,0,1,0|2,0,0]=4 476 B8R1.8 CNCC1=CC=CS1 17366 [0,1,0,0,1,0|2,0,0]=4 477 B8R1.8 CNCC1=CSC=N1 19450 [0,1,0,0,1,0|2,0,0]=4 478 B8R1.8 CNCC1=NC=CS1 19449 [0,1,0,0,1,0|2,0,0]=4 479 B8R1.8 CNCC1=NOC=C1 19427 [0,1,0,0,1,0|2,0,0]=4 480 B8R1.8 NCCC1=CNC=N1 00178 [0,1,0,0,1,0|2,0,0]=4 481 B8R1.8 NCCC1=CNC=N1 21888 [0,1,0,0,1,0|2,0,0]=4 482 B8R1.8 NCCC1=CNC=N1 32474 [0,1,0,0,1,0|2,0,0]=4 483 B8R1.8 NCCC1=CSC=C1 26286 [0,1,0,0,1,0|2,0,0]=4 484 B8R1.8 NCCC1=NC=CS1 18801 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.1 CCOC1=CC=C(Br)C=N1 25744 [0,2,0,0,0,0|1,0,0]=3 488 B10R1.1 CCOC1=CC=C(N)C=N1 28529 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.1 CCOC1=CN=C(N)C=N1 26329 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [0,2,0,0,0,0|1,1,0]=4 495 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [0,2,0,0,0,0|1,1,0]=4 496 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [0,2,0,0,0,0|1,1,0]=4 497 B10R1.3 CCC1=CC=C(C=O)N=C1 26528 [0,2,0,0,0,0|0,1,1]=4 498 B10R1.3 CCC1=CC=C(NN)C=C1 17133 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.3 COC1=CC=C(C#N)C=N1 27884 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.3 COC1=CC=C(CCl)C=C1 00213 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.3 COC1=CC=C(CO)C=C1 00699 [0,2,0,0,0,0|1,1,0]=4 502 B10R1.3 N#CC1=CC=C(CBr)C=C1 06739 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.3 N#CC1=CC=C(CCl)C=C1 31253 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.3 N#CC1=CC=C(CN)C=C1 28564 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.3 N#CC1=CC=C(CN)C=N1 20370 [0,2,0,0,0,0|1,0,1]=4 506 B10R1.3 NCC1=CC=C(CO)C=C1 17557 [0,2,0,0,0,0|1,1,0]=4 507 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [0,2,0,0,0,0|0,1,1]=4 508 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [0,2,0,0,0,0|1,1,0]=4 513 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.13 CC1=CC=C(C(C)N)N=C1 18435 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [0,2,0,0,0,0|1,1,0]=4 517 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.13 NC1=CC=C([N+](=O)[O-])N=C1 26143 [0,2,0,0,0,0|1,1,0]=4 520 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [0,2,0,0,0,0|0,1,1]=4 521 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [0,2,0,0,0,0|0,1,1]=4 522 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [0,2,0,0,0,0|0,1,1]=4 523 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [0,2,0,0,0,0|0,1,1]=4 524 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=N1 28673 [0,2,0,0,0,0|1,1,0]=4 525 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 28119 [0,2,0,0,0,0|1,1,0]=4 526 B10R1.25 CC1=C(C#N)N=CC(Br)=C1 26381 [0,2,0,0,0,0|1,0,1]=4 527 B10R1.25 CC1=CC(Br)=C(C#N)N=C1 26424 [0,2,0,0,0,0|1,0,1]=4 528 B10R1.25 CC1=CC(Br)=CC=C1CO 29345 [0,2,0,0,0,0|1,1,0]=4 529 B10R1.25 CC1=CC(Cl)=CC=C1CO 28919 [0,2,0,0,0,0|1,1,0]=4 530 B10R1.25 CCC1=C(Br)C=C(N)C=C1 29476 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.25 COC1=C(C)C=C(N)C=N1 18141 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.25 COC1=NC=C(Br)C=C1Cl 28882 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.25 COC1=NC=C(Cl)C=C1Br 18880 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.25 COC1=NC=C(Cl)C=C1Cl 29397 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.25 COC1=NC=C(N)C=C1Br 28972 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.25 N#CC1=C(Br)C=C(F)C=N1 26425 [0,2,0,0,0,0|1,0,1]=4 537 B10R1.25 N#CC1=C(Cl)C=C(Cl)C=N1 30809 [0,2,0,0,0,0|1,0,1]=4 538 B10R1.25 N#CC1=NC=C(Br)C=C1F 26216 [0,2,0,0,0,0|1,0,1]=4 539 B10R1.25 N#CC1=NC=C(Cl)C=C1Br 26409 [0,2,0,0,0,0|1,0,1]=4 540 B10R1.25 N#CC1=NC=C(Cl)C=C1F 26217 [0,2,0,0,0,0|1,0,1]=4 541 B10R1.25 NNC1=C(I)C=C(Cl)C=N1 29157 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.176 CC1=C(Br)C=CC(CO)=C1 29912 [0,2,0,0,0,0|1,1,0]=4 543 B10R1.176 CC1=C(C)C=C(CN)C=C1 29260 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.176 CC1=CC=C(CO)C=C1N 27832 [0,2,0,0,0,0|1,1,0]=4 545 B10R1.176 COC1=CC=C(N)C(C)=N1 28703 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.176 COC1=CC=C(N)C(Cl)=N1 29331 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.176 COC1=CC=C(N)C(N)=N1 28960 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.176 COC1=NC=C(N)C(C)=C1 29095 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.176 O=C1C=C(CO)OC=C1O 21857 [0,2,0,0,0,0|1,1,0]=4 550 B10R1.2 CCC1=CC=CC(C)=C1O 28454 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.2 COC1=NC=CC(C)=C1N 29098 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.8 CC1=CC(CBr)=NC(C)=C1 24062 [0,2,0,0,0,0|1,0,0]=3 553 B10R1.8 CC1=CC(CO)=NC(C)=C1 26132 [0,2,0,0,0,0|0,1,0]=3 554 B10R1.8 FC1=CC(F)=CC(CBr)=C1 07256 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [0,2,0,0,0,0|1,0,0]=3 556 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.10 CCOC1=NC(Br)=CC=C1 28276 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.10 CCOC1=NC(N)=CC=C1 17759 [0,2,0,0,0,0|1,0,0]=3 560 B10R1.10 CCOC1=NC=CC(N)=C1 17650 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.30 CC1=CC=C(N)C(CO)=C1 27828 [0,2,0,0,0,0|1,1,0]=4 565 B10R1.30 COC1=NC(Br)=CC=C1N 18129 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 24689 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.113 CC(=O)C1=CC=CC(C)=N1 17414 [0,2,0,0,0,0|0,1,1]=4 568 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 28308 [0,2,0,0,0,0|0,1,1]=4 569 B10R1.113 CC(=O)C1=NC=CC(C)=C1 28572 [0,2,0,0,0,0|0,1,1]=4 570 B10R1.113 CC1=CC([N+](=O)[O-])=NC=C1 28857 [0,2,0,0,0,0|1,1,0]=4 571 B10R1.113 CC1=CC=NC(B(O)O)=C1 17489 [0,2,0,0,0,0|1,1,0]=4 572 B10R1.113 CC1=CC=NC(C(C)N)=C1 18431 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.113 CC1=NC(B(O)O)=CC=C1 17516 [0,2,0,0,0,0|1,1,0]=4 574 B10R1.113 CC1=NC([N+](=O)[O-])=CC=C1 28863 [0,2,0,0,0,0|1,1,0]=4 575 B10R1.113 NC1=CC(C(=O)O)=NC=C1 17204 [0,2,0,0,0,0|0,1,1]=4 576 B10R1.113 NC1=NC(C(=O)O)=CC=C1 28235 [0,2,0,0,0,0|0,1,1]=4 577 B10R1.113 NC1=NC([N+](=O)[O-])=CC=C1 19235 [0,2,0,0,0,0|1,1,0]=4 578 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 28167 [0,2,0,0,0,0|0,1,1]=4 579 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 28102 [0,2,0,0,0,0|0,1,1]=4 580 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 27904 [0,2,0,0,0,0|0,1,1]=4 581 B10R1.113 O=C(O)C1=NC=CC(I)=C1 17484 [0,2,0,0,0,0|0,1,1]=4 582 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 26183 [0,2,0,0,0,0|1,1,0]=4 583 B10R1.113 O=[N+]([O-])C1=NC(Br)=CC=C1 28248 [0,2,0,0,0,0|1,1,0]=4 584 B10R1.172 CCC1=CC=CC(C#N)=C1 22425 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.172 CCC1=CC=CC(CC)=N1 24049 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.172 CCC1=NC(C=O)=CC=N1 26640 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.172 COC1=CC(C#N)=NC=C1 23803 [0,2,0,0,0,0|1,0,1]=4 588 B10R1.172 COC1=CC=CC(CBr)=C1 14049 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.172 COC1=CC=CC(CCl)=C1 07251 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.172 COC1=CC=NC(OC)=C1 24194 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.172 COC1=NC(C=O)=CC=C1 19223 [0,2,0,0,0,0|0,1,1]=4 592 B10R1.172 ClCC1=CC=CC(CCl)=N1 28153 [0,2,0,0,0,0|1,0,0]=3 593 B10R1.172 O=CC1=CC=CC(C=O)=N1 27234 [0,2,0,0,0,0|0,1,1]=4 594 B10R1.172 O=CC1=NC(CO)=CC=C1 26347 [0,2,0,0,0,0|0,1,0]=3 595 B10R1.172 OCC1=CC=CC(CO)=N1 24517 [0,2,0,0,0,0|0,1,0]=3 596 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.15 COC(=O)C1=NC=CC=C1 27538 [0,2,0,0,0,0|0,1,1]=4 600 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [0,2,0,0,0,0|1,1,0]=4 601 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [0,2,0,0,0,0|0,1,0]=3 602 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [0,2,0,0,0,0|1,1,0]=4 603 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [0,2,0,0,0,0|1,1,0]=4 604 B10R1.15 N\C(=N/O)C1=CC=CC=N1 31357 [0,2,0,0,0,0|0,1,1]=4 605 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.15 O=C(CBr)C1=CC=CC=N1 28615 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [0,2,0,0,0,0|1,1,0]=4 609 B10R1.28 CC(C)(O)C1=CC=CC=C1 14408 [0,2,0,0,0,0|1,1,0]=4 610 B10R1.28 O=S(=O)(Cl)C1=CC=CC=N1 17377 [0,2,0,0,0,0|1,1,0]=4 611 B10R1.61 CC(=O)C1=C(N)C=CC=N1 17575 [0,2,0,0,0,0|0,1,1]=4 612 B10R1.61 NC(=O)C1=C(N)C=CC=N1 18868 [0,2,0,0,0,0|0,1,1]=4 613 B10R1.61 NC1=C([N+](=O)[O-])N=CC=C1 27636 [0,2,0,0,0,0|1,1,0]=4 614 B10R1.61 NC1=CC=CN=C1C(=O)O 17022 [0,2,0,0,0,0|0,1,1]=4 615 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 28502 [0,2,0,0,0,0|0,1,1]=4 616 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 28530 [0,2,0,0,0,0|0,1,1]=4 617 B10R1.61 O=C(O)C1=C(I)C=CC=N1 28576 [0,2,0,0,0,0|0,1,1]=4 618 B10R1.61 O=C(O)C1=NC=CC=C1O 24514 [0,2,0,0,0,0|0,1,1]=4 619 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=N1 29070 [0,2,0,0,0,0|1,1,0]=4 620 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Br 28445 [0,2,0,0,0,0|1,1,0]=4 621 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Cl 28350 [0,2,0,0,0,0|1,1,0]=4 622 B10R1.61 O=[N+]([O-])C1=NC=CC=C1F 28854 [0,2,0,0,0,0|1,1,0]=4 623 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O 27015 [0,2,0,0,0,0|1,1,0]=4 624 B10R1.4 CCOC1=C(Br)C=CC=N1 28270 [0,2,0,0,0,0|1,0,0]=3 625 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [0,2,0,0,0,0|1,1,0]=4 627 B10R1.4 NOCC1=CC=CC=C1F 29333 [0,2,0,0,0,0|1,1,0]=4 628 B10R1.17 CCCCC1=CC=CC=C1 27221 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.17 CNCCC1=CC=CC=C1 23237 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.17 CNCCC1=NC=CC=C1 23232 [0,2,0,0,0,0|1,0,0]=3 631 B10R1.17 ClCC#CC1=CC=CC=C1 28941 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.17 ClCOCC1=CC=CC=C1 00728 [0,2,0,0,0,0|1,1,0]=4 633 B10R1.17 OCC#CC1=CC=CC=C1 27592 [0,2,0,0,0,0|1,1,0]=4 634 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [0,2,0,0,0,0|0,1,0]=3 635 B10R1.18 CC(=O)NC1=NC=CC=C1 27479 [0,2,0,0,0,0|0,1,1]=4 636 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.18 NC(=S)NC1=NC=CC=C1 24854 [0,2,0,0,0,0|0,0,2]=4 639 B10R1.20 CCC1=C(C#N)C=CC=C1 22426 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.20 CNC1=NC=CC=C1CO 28935 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.20 COC1=C(C=O)N=CC=C1 17464 [0,2,0,0,0,0|0,1,1]=4 642 B10R1.20 COC1=C(CO)C=CC=C1 14050 [0,2,0,0,0,0|1,1,0]=4 643 B10R1.20 COC1=NC=CC=C1C=O 17146 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.20 N#CC1=C(CCl)C=CC=C1 17032 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.245 CC1=CC=CC(C)=C1CO 17396 [0,2,0,0,0,0|1,1,0]=4 646 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [0,1,0,1,0,0|2,0,0]=4 647 B10R2.7 C1=CC2=C(C=CN2)N=C1 21569 [0,1,0,1,0,0|1,0,1]=4 648 B10R2.7 C1=CC2=C(CCC2)N=C1 26968 [0,1,0,1,0,0|1,0,0]=3 649 B10R2.7 C1=CC2=C(N=C1)NC=C2 21875 [0,1,0,1,0,0|1,0,1]=4 650 B10R2.7 C1=CC2=C(N=C1)NCC2 28977 [0,1,0,1,0,0|1,0,0]=3 651 B10R2.7 C1=CN=C2NN=CC2=C1 18514 [0,1,0,1,0,0|2,0,0]=4 652 B6R1.2 BrC1=CNC=N1 25039 [1,0,0,0,1,0|2,0,0]=4 653 B6R1.2 BrC1=COC=C1 26940 [1,0,0,0,1,0|2,0,0]=4 654 B6R1.2 BrC1=CSC=N1 17481 [1,0,0,0,1,0|2,0,0]=4 655 B6R1.2 BrC1=NC=CN1 26153 [1,0,0,0,1,0|2,0,0]=4 656 B6R1.2 BrC1=NC=CS1 24492 [1,0,0,0,1,0|2,0,0]=4 657 B6R1.2 CC1=CSC=N1 26939 [1,0,0,0,1,0|1,0,0]=3 658 B6R1.2 CC1=NC=CN1 26928 [1,0,0,0,1,0|1,0,0]=3 659 B6R1.2 CN1C=CN=C1 00526 [1,0,0,0,1,0|2,0,0]=4 660 B6R1.2 IC1=CNC=N1 28518 [1,0,0,0,1,0|2,0,0]=4 661 B6R1.2 IC1=NNC=C1 30713 [1,0,0,0,1,0|2,0,0]=4 662 B6R1.2 NC1=CC=CS1 28483 [1,0,0,0,1,0|2,0,0]=4 663 B6R1.2 NC1=NC=CO1 29492 [1,0,0,0,1,0|2,0,0]=4 664 B6R1.2 NC1=NC=CS1 24494 [1,0,0,0,1,0|2,0,0]=4 665 B6R1.2 NC1=NNC=C1 24487 [1,0,0,0,1,0|2,0,0]=4 666 B6R1.2 SC1=NN=CS1 27573 [1,0,0,0,1,0|2,0,0]=4