0 B7R1.3 BrC1=NC=CN=C1 P37390 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 BrC1=NN=CC=C1 P44437 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 CC1=CC=CN=N1 G-5190 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 CC1=CN=CN=C1 O30773 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 CC1=CN=NC=C1 G-5111 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 CC1=NC=CC=N1 Q60049 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 CC1=NC=NC=C1 G-5230 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 ClC1=CC=NC=N1 C-2370 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 ClC1=NN=CC=C1 C-2294 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 FC1=NC=CC=N1 O30628 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 IC1=CC=NN=C1 H-8636 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 IC1=NC=CC=N1 O34244 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 NC1=CC=CN=N1 C-3290 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 NC1=CC=NN=C1 C-3725 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 NC1=CN=NC=C1 L13627 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 O=C1C=CC=NN1 C-2425 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.3 O=C1C=CCCN1 O34600 [0,0,0,0,0,0|1,0,3]=4 17 B7R1.3 O=C1C=CCOC1 L22520 [0,0,0,0,0,0|1,0,3]=4 18 B7R1.3 O=C1C=CN=CN1 C-2283 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.3 O=C1C=COCC1 Q54629 [0,0,0,0,0,0|1,0,3]=4 20 B7R1.3 O=C1CC=CCC1 Q53604 [0,0,0,0,0,0|0,0,4]=4 21 B7R1.3 OC1=CC=NN=C1 H-8637 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 OC1=CN=CN=C1 I-9410 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 OC1=CN=CN=C1 N25469 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.3 OC1C=CCOC1 Q63933 [0,0,0,0,0,0|1,0,3]=4 25 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [0,0,0,0,0,0|1,0,3]=4 26 B7R1.3 O[C@H]1C=CCOC1 Q63934 [0,0,0,0,0,0|1,0,3]=4 27 B7R1.3 SC1=CC=CN=C1 Q62383 [0,0,0,0,0,0|1,1,0]=2 28 B7R1.3 SC1=CN=CN=C1 Q65324 [0,0,0,0,0,0|2,1,0]=3 29 B7R1.3 [O-][N+]1=CC=NC=C1 A-838 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.2 BrCC1=CC=CN=C1 P36550 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.2 BrCC1=CN=CN=C1 Q65336 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.2 BrCC1=NC=NC=C1 P51553 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.2 C#CC1=CC=NC=C1 G-7546 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.2 C#CC1=CC=NC=C1 L13525 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.2 C#CC1=CN=CN=C1 M15518 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.2 C#CC1=NC=CN=C1 O31505 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.2 C#CC1=NN=CC=C1 G-5224 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.2 C(=O)C1=CN=CN=C1 A-903 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.2 C(=O)C1=NC=CC=N1 C-2221 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.2 C(=O)C1=NN=CC=C1 C-2223 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.2 C=CC1=CC=CN=C1 O30687 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.2 CNC1=CC=NC=N1 Q58573 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.2 CNC1=CN=CN=C1 L13923 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.2 CNC1=NN=CC=C1 O29994 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.2 COC1=CN=CN=C1 M15459 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.2 ClCC1=CC=CN=N1 C-2225 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.2 ClCC1=CN=CC=N1 C-2219 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.2 ClCC1=CN=CN=C1 C-2216 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.2 ClCC1=NC=CC=N1 C-2222 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.2 ClCC1=NC=CN=C1 L14125 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.2 ICC1=CC=CC=C1 P37031 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.2 N#CC1=CC=NC=C1 Q58209 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.2 N#CC1=CC=NN=C1 G-7534 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.2 N#CC1=CN=CN=C1 C-3273 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.2 N#CC1=NN=CC=C1 F-4404 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.2 NCC1=CC=CN=N1 L21914 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.2 NCC1=CC=NC=C1 O30621 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.2 NCC1=CC=NC=N1 C-2474 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.2 NCC1=CC=NC=N1 L13752 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.2 NCC1=CC=NN=C1 C-3221 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.2 NCC1=CC=NN=C1 C-3221-01 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.2 NCC1=CN=CN=C1 C-3222 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.2 NCC1=CN=CN=C1 L14043 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.2 NCC1=NC=CC=N1 C-3224 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.2 NCC1=NC=CC=N1 C-3224-1 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.2 NCC1=NC=CN=C1 C-3223 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.2 NCC1=NN=CC=C1 C-2473 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.2 NNC1=CC=CN=C1 C-3227 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 NNC1=CC=NC=C1 C-3226 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 NNC1=CC=NC=C1 L19135 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.2 NNC1=CC=NC=C1 O31964 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.2 NNC1=CN=CN=C1 Q56320 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.2 NNC1=NC=CN=C1 C-2269 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.2 NNC1=NC=NC=C1 O34192 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.2 NNC1=NN=CC=C1 O30576 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.2 OCC1=CC=CN=N1 C-2224 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.2 OCC1=CC=NC=N1 C-2228 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.2 OCC1=CC=NN=C1 C-2213 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.2 OCC1=CN=CC=N1 C-2217 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.2 OCC1=CN=CN=C1 C-2215 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.2 OCC1=NC=CC=N1 C-2220 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.3 BrC1=CN=C(I)C=C1 G-5933 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.3 BrC1=CN=C(I)N=C1 G-7368 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.3 BrC1=NC=C(I)N=C1 C-3475 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.3 BrC1=NN=C(Br)C=C1 C-3213 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.3 CC1=CC=C(F)C=N1 P38896 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.3 CC1=CN=C(Br)C=N1 H-8301 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.3 CC1=CN=C(Cl)C=N1 O30352 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.3 CC1=CN=C(Cl)N=C1 E-3097 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.3 CC1=CN=C(I)C=C1 O29967 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.3 CC1=CN=C(N)C=N1 P37475 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.3 CC1=NC=C(Br)C=N1 C-3601 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.3 CC1=NC=C(N)C=N1 G-6756 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.3 CC1=NC=C(O)C=N1 O33295 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.3 CC1=NN=C(Br)C=C1 G-5747 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.3 CC1=NN=C(Cl)C=C1 C-2759 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.3 CC1=NN=C(I)C=C1 G-5523 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.3 CC1=NN=C(N)C=C1 C-2322 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.3 CC1=NN=C(O)C=C1 C-2282 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.3 CC1=NNC(=O)C=C1 I-9165 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.3 ClC1=CN=C(Br)C=N1 O30741 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.3 ClC1=CN=C(Br)N=C1 L13575 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.3 ClC1=CN=C(Cl)C=N1 G-5312 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.3 ClC1=CN=C(Cl)N=C1 G-6890 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.3 ClC1=CN=C(I)C=C1 P50959 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.3 ClC1=NC=C(Br)C=N1 G-6317 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.3 ClC1=NC=C(I)C=C1 E-3038 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.3 ClC1=NC=C(I)C=N1 P38800 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.3 ClC1=NC=C(I)N=C1 O29843 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.3 ClC1=NN=C(I)C=C1 C-3722 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.3 FC1=CC=C(Br)N=C1 E-3090 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.3 FC1=CN=C(Br)C=N1 O29595 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.3 FC1=CN=C(Br)N=C1 G-7162 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.3 FC1=NC=C(I)C=N1 L22396 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.3 FC1=NN=C(F)C=C1 O31862 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.3 NC1=CC=C(Br)N=N1 C-2292 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.3 NC1=CC=C(O)C=N1 E-3088 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.3 NC1=CN=C(Cl)N=C1 G-7543 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.3 NC1=CN=C(O)N=C1 F-4368 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.3 NC1=NC=C(Br)C=C1 G-5636 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.3 NC1=NC=C(Br)C=N1 C-2774 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.3 NC1=NC=C(Br)N=C1 G-5398 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.3 NC1=NC=C(Cl)N=C1 C-3472 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.3 NC1=NC=C(F)C=N1 O32924 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.3 NC1=NC=C(O)C=N1 G-5678 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.3 NC1=NN=C(Cl)C=C1 A-532 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.3 NC1=NN=C(F)C=C1 O29638 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.3 NC1=NN=C(I)C=C1 C-3343 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.3 NC1=NNC(=O)C=C1 M15194 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.3 O=C1C=CC(Cl)=CN1 F-4339 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.3 O=C1N=CC(Br)=CN1 P45145 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.3 OC1=CC=C(Br)N=C1 C-3384 [0,1,0,0,0,0|1,0,0]=2 135 B8R1.3 OC1=CN=C(Br)N=C1 G-6073 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.3 OC1=CN=C(Cl)C=C1 G-5339 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.3 OC1=CN=C(Cl)N=C1 C-2810 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.3 OC1=NN=C(Cl)C=C1 C-2416 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 M22901 [0,1,0,0,0,0|1,0,1]=3 140 B8R1.3 [O-][N+]1=CC=C(F)C=C1 G-5918 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.4 BrC1=CC(Br)=NC=C1 G-5938 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.4 BrC1=CC(Br)=NC=N1 G-5117 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.4 BrC1=CC(I)=CN=C1 Q66871 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.4 BrC1=NC(I)=CC=C1 O31854 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.4 BrC1=NC=CC(I)=C1 Q67803 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.4 CC1=CC(=O)NN=C1 Q55625 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.4 CC1=CC(C)=NC=N1 G-5958 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.4 CC1=CC(Cl)=NN=C1 G-7302 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.4 CC1=CC(N)=NN=C1 O30089 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.4 CC1=CN=CC(Br)=C1 G-7029 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 CC1=CN=CC(Br)=N1 O30568 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.4 CC1=CN=CC(F)=C1 P38200 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.4 CC1=CN=CC(N)=C1 S70885 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.4 CC1=CN=CC(N)=N1 O31827 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.4 CC1=CN=CC(O)=C1 O30725 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.4 CC1=NC(Cl)=NC=C1 G-7250 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.4 CC1=NC=CC(Cl)=C1 E-3106 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.4 CC1=NC=CC(Cl)=N1 I-9872 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.4 CC1=NC=CC(N)=N1 O30572 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.4 CC1=NC=CC(N)=N1 O30672 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.4 CC1=NC=CC(O)=N1 P36692 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.4 CC1=NC=NC(Cl)=C1 I-9018 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.4 ClC1=CC(Cl)=NC=N1 P49439 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.4 ClC1=CC(Cl)=NN=C1 Q56869 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.4 ClC1=CC=CC(I)=N1 N25427 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.4 ClC1=CC=NC(Br)=C1 B-1204 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.4 ClC1=CC=NC(Br)=N1 L14646 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.4 ClC1=NC=CC(Br)=N1 O30345 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.4 ClC1=NN=CC(Br)=C1 L21878 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.4 FC1=CC(I)=CN=C1 O30723 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.4 FC1=NC(Cl)=NC=C1 Q65337 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.4 FC1=NC=CC(Cl)=N1 Q55811 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.4 FC1=NC=CC(I)=C1 E-3003 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.4 IC1=CC(I)=NC=C1 N24711 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.4 IC1=CN=CC(I)=C1 G-5882 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.4 NC1=CC(=O)NC=C1 C-3231 [0,1,0,0,0,0|1,0,1]=3 177 B8R1.4 NC1=CC(=O)NN=C1 L13106 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.4 NC1=CC(Br)=CC=N1 B-1202 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.4 NC1=CC(Br)=NN=C1 O32375 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.4 NC1=CC(Cl)=NC=C1 G-5361 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.4 NC1=CC(Cl)=NN=C1 L14054 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.4 NC1=CC(F)=NC=C1 G-7585 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.4 NC1=CC(F)=NC=N1 Q58616 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.4 NC1=CC=NC(N)=N1 Q54676 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.4 NC1=NC(Cl)=CC=C1 G-5936 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.4 NC1=NC(Cl)=CN=C1 I-9229 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.4 NC1=NC(F)=NC=C1 L18384 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.4 NC1=NC(O)=CC=C1 Q68106 [0,1,0,0,0,0|1,0,0]=2 189 B8R1.4 NC1=NC=CC(Br)=N1 C-2371 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.4 NC1=NC=CC(F)=C1 A-621 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.4 NC1=NC=CC(F)=N1 L14581 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.4 NC1=NC=CC(I)=C1 G-6400 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.4 NC1=NC=CC(I)=N1 Q52149 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.4 NC1=NC=CC(O)=C1 E-3010 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.4 NC1=NN=CC(Cl)=C1 G-6872 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.4 O=C1C=C(Br)C=CN1 G-7401 [0,1,0,0,0,0|1,0,1]=3 197 B8R1.4 O=C1C=C(I)C=NN1 P44522 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.4 O=C1C=CC=C(F)N1 F-4400 [0,1,0,0,0,0|1,0,1]=3 199 B8R1.4 O=C1C=CC=C(I)N1 Q69521 [0,1,0,0,0,0|1,0,1]=3 200 B8R1.4 O=C1C=CNC(Br)=C1 Q52479 [0,1,0,0,0,0|1,0,1]=3 201 B8R1.4 OC1=CC(F)=NC=C1 E-3009 [0,1,0,0,0,0|1,0,0]=2 202 B8R1.4 OC1=CC=NC(Cl)=N1 Q52516 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.4 OC1=CN=CC(F)=C1 E-3008 [0,1,0,0,0,0|1,0,0]=2 204 B8R1.4 OC1=NC=CC(F)=C1 S72531 [0,1,0,0,0,0|1,0,0]=2 205 B8R1.4 SC1=CC(Br)=CN=C1 Q62298 [0,1,0,0,0,0|1,1,0]=3 206 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 Q67309 [0,1,0,0,0,0|1,0,1]=3 207 B8R1.5 BrC1=C(I)C=CN=C1 E-3013 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.5 BrC1=C(I)C=NC=C1 E-3014 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.5 BrC1=CC=CN=C1I Q66410 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.5 BrC1=NC=CC=C1I Q67426 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.5 BrC1=NC=CN=C1Br S86565 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.5 CC1=C(Br)C=CN=C1 G-7557 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.5 CC1=C(Br)C=CN=C1 P43051 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.5 CC1=C(Cl)C=CN=C1 P40666 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.5 CC1=C(N)C=NC=N1 L13550 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.5 CC1=C(N)N=CC=N1 Q56445 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.5 CC1=C(O)C=CN=C1 E-3032 [0,1,0,0,0,0|1,0,0]=2 218 B8R1.5 CC1=CC=CN=C1C Q57216 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.5 CC1=CC=NC=C1O E-3031 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.5 CC1=CC=NN=C1Cl G-7959 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.5 CC1=CC=NN=C1Cl L13799 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.5 CC1=CC=NNC1=O G-6419 [0,1,0,0,0,0|2,0,1]=4 223 B8R1.5 CC1=CN=CN=C1C Q65323 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.5 CC1=CN=CNC1=O L18637 [0,1,0,0,0,0|2,0,1]=4 225 B8R1.5 CC1=CN=NC=C1N Q57087 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.5 CC1=NC=CC=C1Br G-6792 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.5 CC1=NC=CC=C1O G-6807 [0,1,0,0,0,0|1,0,0]=2 228 B8R1.5 CC1=NC=CN=C1Cl L18121 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.5 CC1=NC=NC=C1Br O30617 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.5 ClC1=C(I)C=CN=C1 Q66429 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.5 ClC1=C(I)C=NC=C1 P35342 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.5 ClC1=CC=CN=C1I N24638 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.5 ClC1=CC=NN=C1Cl I-9770 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.5 ClC1=CN=CN=C1Cl 10589 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.5 ClC1=NC=CC=C1I E-3058 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.5 ClC1=NC=NC=C1Br C-2367 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.5 ClC1=NC=NC=C1I A-843 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.5 FC1=C(Br)C=CN=C1 G-5481 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.5 FC1=C(Br)C=CN=C1 P44616 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.5 FC1=C(Br)C=NC=C1 Q56864 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.5 FC1=C(Cl)C=CN=C1 P39328 [0,1,0,0,0,0|2,0,0]=3 242 B8R1.5 FC1=C(F)C=NC=C1 Q62349 [0,1,0,0,0,0|2,0,0]=3 243 B8R1.5 FC1=CC=CN=C1I G-7663 [0,1,0,0,0,0|2,0,0]=3 244 B8R1.5 FC1=CN=CN=C1Cl O30832 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.5 FC1=NC=CC=C1I E-3002 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.5 IC1=CC=CN=C1I Q68051 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.5 NC1=C(Br)C=NC=C1 E-3062 [0,1,0,0,0,0|2,0,0]=3 248 B8R1.5 NC1=C(Cl)C=NC=N1 10590 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.5 NC1=C(Cl)N=NC=C1 Q53543 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.5 NC1=C(F)C=NC=C1 C-3717 [0,1,0,0,0,0|2,0,0]=3 251 B8R1.5 NC1=C(I)C=CN=C1 E-3015 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.5 NC1=C(I)C=NC=C1 E-3016 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.5 NC1=C(O)C=NC=C1 O30556 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.5 NC1=C(O)C=NC=C1 O31762 [0,1,0,0,0,0|1,0,0]=2 255 B8R1.5 NC1=C(S)C=CN=C1 Q52533 [0,1,0,0,0,0|1,1,0]=3 256 B8R1.5 NC1=C(S)C=NC=C1 I-9682 [0,1,0,0,0,0|1,1,0]=3 257 B8R1.5 NC1=C(S)C=NC=C1 Q52534 [0,1,0,0,0,0|1,1,0]=3 258 B8R1.5 NC1=CC=CN=C1F P40871 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.5 NC1=CC=CN=C1O C-3656 [0,1,0,0,0,0|1,0,0]=2 260 B8R1.5 NC1=CC=CNC1=S M15558 [0,1,0,0,0,0|1,1,0]=3 261 B8R1.5 NC1=CN=CN=C1O O31022 [0,1,0,0,0,0|2,0,0]=3 262 B8R1.5 NC1=NC=CC=C1Br P43453 [0,1,0,0,0,0|2,0,0]=3 263 B8R1.5 NC1=NC=CC=C1F P39688 [0,1,0,0,0,0|2,0,0]=3 264 B8R1.5 NC1=NC=CC=C1I C-3672 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.5 NC1=NC=CN=C1Br O33982 [0,1,0,0,0,0|3,0,0]=4 266 B8R1.5 NC1=NC=NC=C1I 10591 [0,1,0,0,0,0|3,0,0]=4 267 B8R1.5 O=C1C=COC=C1O L14061 [0,1,0,0,0,0|1,0,0]=2 268 B8R1.5 O=C1NC=NC=C1Br C-2366 [0,1,0,0,0,0|2,0,1]=4 269 B8R1.5 O=C1NN=CC=C1Cl G-7609 [0,1,0,0,0,0|2,0,1]=4 270 B8R1.5 O=C1OC=CC=C1O M15566 [0,1,0,0,0,0|1,0,0]=2 271 B8R1.5 OC1=C(Br)C=CN=C1 N24655 [0,1,0,0,0,0|1,0,0]=2 272 B8R1.5 OC1=C(Cl)C=CN=C1 N24314 [0,1,0,0,0,0|1,0,0]=2 273 B8R1.5 OC1=C(Cl)C=NC=C1 Q67665 [0,1,0,0,0,0|1,0,0]=2 274 B8R1.5 OC1=C(F)C=NC=C1 N24410 [0,1,0,0,0,0|1,0,0]=2 275 B8R1.5 OC1=C(I)C=CN=C1 N27325 [0,1,0,0,0,0|1,0,0]=2 276 B8R1.5 OC1=C(I)C=CN=C1 Q70033 [0,1,0,0,0,0|1,0,0]=2 277 B8R1.5 OC1=CC=CN=C1Br Q70032 [0,1,0,0,0,0|1,0,0]=2 278 B8R1.5 OC1=CC=CN=C1Cl I-9157 [0,1,0,0,0,0|1,0,0]=2 279 B8R1.5 OC1=CC=NC=C1I H-8691 [0,1,0,0,0,0|1,0,0]=2 280 B8R1.5 OC1=CC=NC=C1O 10601 [0,1,0,0,0,0|1,0,0]=2 281 B8R1.5 OC1=CN=CC=C1Br H-8866 [0,1,0,0,0,0|1,0,0]=2 282 B8R1.5 OC1=NC=NC=C1Cl 10588 [0,1,0,0,0,0|2,0,0]=3 283 B8R1.5 OC1=NC=NC=C1F P43226 [0,1,0,0,0,0|2,0,0]=3 284 B8R1.5 OC1=NC=NC=C1I O32500 [0,1,0,0,0,0|2,0,0]=3 285 B8R1.5 ON1C=CC=CC1=S Q62443 [0,1,0,0,0,0|1,0,0]=2 286 B6R0.4 O=C(O)\C=C\CBr P41388 [0,0,1,0,0,0|2,0,1]=4 287 B6R0.4 O=C\C=C\B(O)O M24059 [0,0,1,0,0,0|3,0,0]=4 288 B8R2.34 C1=CC2C=CC1C2 P44656 [0,0,0,1,0,0|1,0,2]=4 289 B6R1.2 BrC1=CC=CO1 P37236 [0,0,0,0,1,0|2,0,0]=3 290 B6R1.2 BrC1=CC=NN1 G-7014 [0,0,0,0,1,0|3,0,0]=4 291 B6R1.2 BrC1=CN=CS1 P38940 [0,0,0,0,1,0|3,0,0]=4 292 B6R1.2 BrC1=CSN=C1 P51086 [0,0,0,0,1,0|3,0,0]=4 293 B6R1.2 BrC1=NC=CN1 P40717 [0,0,0,0,1,0|3,0,0]=4 294 B6R1.2 BrC1=NSC=C1 O31504 [0,0,0,0,1,0|3,0,0]=4 295 B6R1.2 CC1=CNC=C1 L13609 [0,0,0,0,1,0|2,0,0]=3 296 B6R1.2 CC1=CNN=C1 M22981 [0,0,0,0,1,0|3,0,0]=4 297 B6R1.2 CC1=COC=C1 10706 [0,0,0,0,1,0|2,0,0]=3 298 B6R1.2 CC1=COC=N1 M15472 [0,0,0,0,1,0|3,0,0]=4 299 B6R1.2 CN1C=CC=N1 G-7493 [0,0,0,0,1,0|3,0,0]=4 300 B6R1.2 ClC1=CC=NN1 I-9279 [0,0,0,0,1,0|3,0,0]=4 301 B6R1.2 ClC1=CNC=N1 F-4664 [0,0,0,0,1,0|3,0,0]=4 302 B6R1.2 ClC1=CSC=N1 L13978 [0,0,0,0,1,0|3,0,0]=4 303 B6R1.2 ClC1=NC=CN1 O34261 [0,0,0,0,1,0|3,0,0]=4 304 B6R1.2 ClC1=NSC=C1 K10869 [0,0,0,0,1,0|3,0,0]=4 305 B6R1.2 FC1=CC=NN1 L13110 [0,0,0,0,1,0|3,0,0]=4 306 B6R1.2 FC1=CN=CN1 L22294 [0,0,0,0,1,0|3,0,0]=4 307 B6R1.2 FC1=CNN=C1 H-8311 [0,0,0,0,1,0|3,0,0]=4 308 B6R1.2 IC1=CNC=N1 A-910 [0,0,0,0,1,0|3,0,0]=4 309 B6R1.2 IC1=CNN=C1 I-9182 [0,0,0,0,1,0|3,0,0]=4 310 B6R1.2 IC1=NC=CN1 P38939 [0,0,0,0,1,0|3,0,0]=4 311 B6R1.2 IC1=NC=CO1 G-7159 [0,0,0,0,1,0|3,0,0]=4 312 B6R1.2 IC1=NC=CS1 A-965 [0,0,0,0,1,0|3,0,0]=4 313 B6R1.2 IC1=NNC=C1 H-8099 [0,0,0,0,1,0|3,0,0]=4 314 B6R1.2 IN1C=CN=C1 O30042 [0,0,0,0,1,0|3,0,0]=4 315 B6R1.2 NC1=CC=NN1 A-809 [0,0,0,0,1,0|3,0,0]=4 316 B6R1.2 NC1=CN=CS1 O30332 [0,0,0,0,1,0|3,0,0]=4 317 B6R1.2 NC1=CN=CS1 P44438 [0,0,0,0,1,0|3,0,0]=4 318 B6R1.2 NC1=CNC=N1 O32717 [0,0,0,0,1,0|3,0,0]=4 319 B6R1.2 NC1=CNN=C1 L18482 [0,0,0,0,1,0|3,0,0]=4 320 B6R1.2 NC1=CNN=C1 Q51928 [0,0,0,0,1,0|3,0,0]=4 321 B6R1.2 NC1=CSN=C1 L22383 [0,0,0,0,1,0|3,0,0]=4 322 B6R1.2 NC1=NC=CN1 I-9868 [0,0,0,0,1,0|3,0,0]=4 323 B6R1.2 NC1=NC=CO1 E-3055 [0,0,0,0,1,0|3,0,0]=4 324 B6R1.2 NC1=NOC=C1 C-3347 [0,0,0,0,1,0|3,0,0]=4 325 B6R1.2 NN1C=CC=C1 G-5643 [0,0,0,0,1,0|2,0,0]=3 326 B6R1.2 O=C1C=CSN1 K10928 [0,0,0,0,1,0|2,0,1]=4 327 B6R1.2 OC1C=CCC1 Q62924 [0,0,0,0,1,0|0,0,3]=4 328 B6R1.2 ON1C=CC=N1 Q54490 [0,0,0,0,1,0|2,0,0]=3 329 B6R1.2 S=C1NC=CO1 L19666 [0,0,0,0,1,0|2,1,0]=4 330 B6R1.2 SC1=CSC=C1 O29467 [0,0,0,0,1,0|1,1,0]=3 331 B7R1.1 BrCC1=COC=C1 O29970 [0,1,0,0,1,0|2,0,0]=4 332 B7R1.1 BrCC1=CSC=C1 Q68601 [0,1,0,0,1,0|2,0,0]=4 333 B7R1.1 COC1=CNN=C1 L18281 [0,1,0,0,1,0|2,0,0]=4 334 B7R1.1 COC1=NNC=C1 Q61554 [0,1,0,0,1,0|2,0,0]=4 335 B7R1.1 CSC1=CC=CS1 Q67758 [0,1,0,0,1,0|1,1,0]=4 336 B7R1.1 ClCC1=CC=CS1 G-5616 [0,1,0,0,1,0|2,0,0]=4 337 B7R1.1 N#CC1=CC=CN1 G-6648 [0,1,0,0,1,0|2,0,0]=4 338 B7R1.1 NCC1=COC=C1 O34052 [0,1,0,0,1,0|2,0,0]=4 339 B7R1.1 OCC1=CN=CN1 O33324 [0,1,0,0,1,0|2,0,0]=4 340 B7R1.1 OCC1=CNN=C1 C-2849 [0,1,0,0,1,0|2,0,0]=4 341 B7R1.1 OCC1=COC=N1 G-6097 [0,1,0,0,1,0|2,0,0]=4 342 B7R1.1 OCC1=CSC=N1 O30740 [0,1,0,0,1,0|2,0,0]=4 343 B7R1.1 OCC1=NC=CN1 Q65640 [0,1,0,0,1,0|2,0,0]=4 344 B7R1.1 OCC1=NC=CS1 A-635 [0,1,0,0,1,0|2,0,0]=4 345 B7R1.1 OCC1=NNC=C1 G-5586 [0,1,0,0,1,0|2,0,0]=4 346 B7R1.1 OCC1=NOC=C1 G-7175 [0,1,0,0,1,0|2,0,0]=4 347 B7R1.2 BrC1=CC=C(I)S1 N24353 [0,1,0,0,1,0|2,0,0]=4 348 B7R1.2 CC1=CSC(N)=C1 G-5634 [0,1,0,0,1,0|2,0,0]=4 349 B7R1.2 CC1=NNC(O)=C1 I-9200 [0,1,0,0,1,0|2,0,0]=4 350 B7R1.2 CN1C=CC(Br)=C1 F-4804 [0,1,0,0,1,0|2,0,0]=4 351 B7R1.2 NC1=CSC(Br)=C1 L13953 [0,1,0,0,1,0|2,0,0]=4 352 B7R1.2 NC1=CSC(Br)=C1 O33601 [0,1,0,0,1,0|2,0,0]=4 353 B7R1.2 NC1=CSC(Cl)=C1 G-5064 [0,1,0,0,1,0|2,0,0]=4 354 B7R1.2 NC1=NC(O)=CS1 O29877 [0,1,0,0,1,0|2,0,0]=4 355 B7R1.2 O=C1C=CC(O)C1 O30118 [0,1,0,0,1,0|0,0,2]=4 356 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [0,1,0,0,1,0|0,0,2]=4 357 B7R1.2 OC1=NSC(Cl)=C1 K10877 [0,1,0,0,1,0|2,0,0]=4 358 B7R1.4 BrC1=CSC=C1I N24538 [0,1,0,0,1,0|2,0,0]=4 359 B7R1.4 CC1=C(Br)C=CS1 Q67355 [0,1,0,0,1,0|2,0,0]=4 360 B7R1.4 CC1=CNC=C1C C-3629 [0,1,0,0,1,0|2,0,0]=4 361 B7R1.4 CC1=CSC=C1Br Q66876 [0,1,0,0,1,0|2,0,0]=4 362 B7R1.4 CC1=CSC=C1C Q70046 [0,1,0,0,1,0|2,0,0]=4 363 B7R1.4 CC1=CSC=C1N L14926 [0,1,0,0,1,0|2,0,0]=4 364 B7R1.4 ClC1=C(I)SC=C1 Q53198 [0,1,0,0,1,0|2,0,0]=4 365 B7R1.4 FC1=CNC=C1F K10900 [0,1,0,0,1,0|2,0,0]=4 366 B7R1.4 NC1=C(Br)C=CS1 M15148 [0,1,0,0,1,0|2,0,0]=4 367 B7R1.4 NC1=CSC=C1Br L14406 [0,1,0,0,1,0|2,0,0]=4 368 B7R1.4 O=C1CCC=C1O A-670 [0,1,0,0,1,0|0,0,2]=4 369 B9R1.1 BrCC1=CN=C(Br)C=C1 M23057 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.1 BrCC1=NC=C(Br)C=C1 O32745 [0,2,0,0,0,0|2,0,0]=4 371 B9R1.1 C#CC1=CC=C(Br)C=C1 P36174 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.1 C#CC1=CC=C(Cl)C=C1 C-3288 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.1 C#CC1=CC=C(I)C=C1 P36173 [0,2,0,0,0,0|1,0,0]=3 374 B9R1.1 C#CC1=CC=C(N)C=N1 Q53285 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.1 C#CC1=CC=C(O)C=N1 O29432 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.1 C#CC1=CN=C(F)C=C1 M22879 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.1 C#CC1=NC=C(C)C=C1 O30107 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.1 C#CC1=NC=C(Cl)C=C1 O30377 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.1 C#CC1=NC=C(F)C=C1 M22957 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.1 C(=O)C1=CN=C(Cl)C=C1 E-3026 [0,2,0,0,0,0|1,0,1]=4 381 B9R1.1 C=CC1=CN=C(Br)C=C1 Q62407 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.1 C=CC1=CN=C(C)C=C1 L13585 [0,2,0,0,0,0|2,0,0]=4 383 B9R1.1 C=CC1=CN=C(F)C=C1 L14939 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.1 C=CC1=CN=C(F)C=C1 O29601 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.1 C=CC1=NC=C(Cl)C=C1 O33380 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.1 CC1=CC=C(CN)C=N1 C-3518 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.1 CC1=CC=C(CO)C=N1 H-8186 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.1 CC1=CN=C(C=O)C=C1 Q67276 [0,2,0,0,0,0|1,0,1]=4 389 B9R1.1 CC1=CN=C(CO)C=C1 N24952 [0,2,0,0,0,0|1,0,0]=3 390 B9R1.1 CC1=CN=C(CO)N=C1 G-6318 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.1 CC1=NC=C(C=O)C=C1 C-2363 [0,2,0,0,0,0|1,0,1]=4 392 B9R1.1 CC1=NC=C(CO)C=N1 A-728 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.1 CCC1=CC=C(Br)N=C1 Q57112 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.1 CCC1=CC=C(Cl)N=C1 Q57111 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.1 CCC1=CC=C(N)C=N1 A-656 [0,2,0,0,0,0|2,0,0]=4 396 B9R1.1 CCC1=NC=C(Br)C=C1 G-6695 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.1 CNC1=CC=C(Br)N=C1 Q65482 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.1 CNC1=CC=C(F)C=N1 Q58345 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.1 CNC1=CC=C(I)C=C1 P37124 [0,2,0,0,0,0|1,0,0]=3 400 B9R1.1 CNC1=CC=C(N)C=C1 P37009 [0,2,0,0,0,0|1,0,0]=3 401 B9R1.1 CNC1=CC=C(N)N=C1 Q58290 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.1 CNC1=CC=C(N)N=C1 Q58291 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [0,2,0,0,0,0|0,0,0]=2 404 B9R1.1 CNC1=NC=C(Br)C=C1 P35851 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.1 COC1=CN=C(Br)C=C1 Q67224 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.1 COC1=CN=C(Br)C=N1 O34252 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.1 COC1=CN=C(Br)N=C1 G-6823 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.1 COC1=CN=C(Cl)C=C1 Q67222 [0,2,0,0,0,0|1,0,0]=3 409 B9R1.1 COC1=CN=C(Cl)N=C1 I-9250 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.1 COC1=CN=C(F)C=C1 N24701 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.1 COC1=CN=C(I)N=C1 Q53690 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.1 COC1=CN=C(N)C=C1 G-7588 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.1 COC1=CN=C(N)C=N1 O31841 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.1 COC1=CN=C(N)N=C1 G-5676 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.1 COC1=NC=C(C)C=C1 Q67071 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.1 COC1=NC=C(F)C=C1 P37735 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.1 COC1=NC=C(I)C=C1 Q67264 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.1 COC1=NC=C(N)C=N1 O31128 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.1 COC1=NC=C(O)C=C1 Q67584 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.1 COC1=NN=C(N)C=C1 P36408 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.1 CSC1=CN=C(Br)C=C1 N24931 [0,2,0,0,0,0|1,1,0]=4 422 B9R1.1 CSC1=CN=C(F)C=C1 N26916 [0,2,0,0,0,0|1,1,0]=4 423 B9R1.1 CSC1=NC=C(Br)C=C1 Q66696 [0,2,0,0,0,0|1,1,0]=4 424 B9R1.1 CSC1=NC=C(C)C=C1 N24295 [0,2,0,0,0,0|1,1,0]=4 425 B9R1.1 CSC1=NC=C(Cl)C=C1 N24817 [0,2,0,0,0,0|1,1,0]=4 426 B9R1.1 ClC1=CN=C(CBr)C=C1 L18293 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.1 ClCC1=CN=C(Br)C=C1 O34227 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.1 FC1=CN=C(CCl)C=C1 Q60053 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.1 FC1=NC=C(CBr)C=C1 G-6035 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.1 FC1=NC=C(CCl)C=C1 F-4121 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.1 N#CC1=CC=C(F)N=C1 G-6861 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.1 N#CC1=CC=C(N)C=N1 Q51916 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.1 N#CC1=CC=C(S)C=C1 O30392 [0,2,0,0,0,0|0,1,0]=3 434 B9R1.1 N#CC1=CN=C(Cl)C=C1 G-6936 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.1 N#CC1=CNC(=O)C=C1 S72685 [0,2,0,0,0,0|1,0,1]=4 436 B9R1.1 N#CC1=NC=C(I)C=C1 O30554 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.1 N#CC1=NC=C(O)C=C1 G-6237 [0,2,0,0,0,0|1,0,0]=3 438 B9R1.1 NC1=CC=C(C=O)C=N1 L13611 [0,2,0,0,0,0|1,0,1]=4 439 B9R1.1 NC1=CN=C(CO)N=C1 Q52401 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.1 NC1=NC=C(CO)C=C1 E-3098 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.1 NC1=NC=C(CO)C=N1 I-9630 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.1 NCC1=CC=C(I)C=C1 P38306 [0,2,0,0,0,0|1,0,0]=3 443 B9R1.1 NCC1=CC=C(O)C=N1 O29328 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.1 NCC1=CC=C(O)C=N1 O31467 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.1 NCC1=CN=C(Cl)C=C1 C-3459 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.1 NCC1=CN=C(F)C=C1 L18071 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.1 NCC1=CN=C(N)C=C1 Q62313 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.1 NCC1=CNC(=O)C=C1 G-5535 [0,2,0,0,0,0|1,0,1]=4 449 B9R1.1 NCC1=NC=C(Br)C=C1 G-7736 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.1 NCC1=NC=C(Br)C=C1 L14589 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.1 NCC1=NC=C(Br)C=C1 O30462 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.1 NCC1=NC=C(Cl)C=C1 O30447 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.1 NCC1=NC=C(Cl)C=C1 O31783 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.1 NCC1=NC=C(Cl)C=C1 P36637 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.1 NCC1=NC=C(F)C=C1 P37408 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.1 NNC1=CC=C(Br)C=C1 P38159 [0,2,0,0,0,0|1,0,0]=3 457 B9R1.1 NNC1=CC=C(F)C=C1 P38478 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.1 NNC1=CC=C(F)N=C1 O32377 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.1 NNC1=CN=C(F)C=C1 Q52569 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.1 NNC1=NC=C(Cl)C=C1 Q67932 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.1 O=CC1=CC=C(O)C=N1 P44434 [0,2,0,0,0,0|1,0,0]=3 462 B9R1.1 O=CC1=CN=C(F)C=C1 P50975 [0,2,0,0,0,0|1,0,1]=4 463 B9R1.1 O=CC1=NC=C(Cl)C=C1 Q67275 [0,2,0,0,0,0|1,0,1]=4 464 B9R1.1 O=CC1=NC=C(F)C=C1 O30696 [0,2,0,0,0,0|1,0,1]=4 465 B9R1.1 O=CC1=NN=C(O)C=C1 O30370 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.1 OC1=CN=C(CF)N=C1 Q62955 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.1 OCC1=CC=C(Br)N=C1 O34239 [0,2,0,0,0,0|1,0,0]=3 468 B9R1.1 OCC1=CC=C(Cl)N=N1 I-9934 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.1 OCC1=CC=C(F)N=C1 O30867 [0,2,0,0,0,0|1,0,0]=3 470 B9R1.1 OCC1=CC=C(S)C=C1 O32480 [0,2,0,0,0,0|0,0,0]=2 471 B9R1.1 OCC1=CN=C(Cl)N=C1 C-2773 [0,2,0,0,0,0|2,0,0]=4 472 B9R1.1 OCC1=NC=C(Br)C=N1 L22275 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.1 OCC1=NC=C(Cl)C=C1 N24430 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.1 OCC1=NC=C(Cl)C=N1 O33482 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.1 OCC1=NC=C(Cl)N=C1 G-5313 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.1 OCC1=NC=C(F)C=C1 C-3467 [0,2,0,0,0,0|1,0,0]=3 477 B9R1.1 OCC1=NC=C(F)C=N1 G-6053 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.2 BrCC1=CC=CC(Br)=N1 P35902 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.2 C#CC1=CC(C)=CN=C1 O30182 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.2 C#CC1=CC(C)=NC=C1 O31561 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.2 C#CC1=CC(F)=NC=C1 Q54978 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.2 C#CC1=CC(N)=NC=C1 Q52477 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.2 C#CC1=CC(O)=CC=C1 P42883 [0,2,0,0,0,0|0,0,0]=2 484 B9R1.2 C#CC1=CC=CC(Br)=C1 O27910 [0,2,0,0,0,0|1,0,0]=3 485 B9R1.2 C#CC1=CC=CC(C)=C1 P36176 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.2 C#CC1=CC=CC(Cl)=N1 O30303 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.2 C#CC1=CC=CC(N)=N1 P40552 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.2 C#CC1=CN=CC(Br)=C1 O30098 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.2 C#CC1=CN=CC(N)=C1 P36736 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.2 C#CC1=NC(C)=CC=C1 I-9683 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.2 C#CC1=NC=CC(C)=C1 M22852 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.2 C#CC1=NC=CC(N)=C1 Q65950 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.2 C(=O)C1=CC=CC(Br)=N1 C-3289 [0,2,0,0,0,0|1,0,1]=4 494 B9R1.2 C(=O)C1=CC=NC(Cl)=C1 C-3314 [0,2,0,0,0,0|1,0,1]=4 495 B9R1.2 C=CC1=CN=CC(C)=C1 O31501 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.2 C=CC1=CN=CC(F)=C1 L21838 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.2 C=CC1=NC(Br)=CC=C1 L18289 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.2 CC1=CC(C=O)=NC=C1 O31911 [0,2,0,0,0,0|1,0,1]=4 499 B9R1.2 CC1=CC(CN)=CC=N1 Q62498 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.2 CC1=CC(CN)=NC=C1 O29857 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.2 CC1=CC(CN)=NC=C1 O31684 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.2 CC1=CC(NN)=NC=C1 O31163 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.2 CC1=CC=CC(CN)=N1 P35737 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.2 CC1=CC=CC(CN)=N1 P36768 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.2 CC1=CN=CC(C=O)=C1 M15605 [0,2,0,0,0,0|1,0,1]=4 506 B9R1.2 CC1=CN=CC(CCl)=C1 O33584 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.2 CC1=CN=CC(CO)=C1 I-9425 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.2 CC1=CN=NC(CO)=C1 Q56709 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.2 CC1=NC(CO)=NC=C1 G-7252 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.2 CC1=NC=CC(C#N)=C1 H-8890 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.2 CC1=NC=CC(CN)=C1 O31522 [0,2,0,0,0,0|2,0,0]=4 512 B9R1.2 CC1=NC=CC(CO)=C1 O30864 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.2 CC1=NC=CC(CO)=N1 Q58594 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.2 CC1=NC=NC(CO)=C1 G-7256 [0,2,0,0,0,0|2,0,0]=4 515 B9R1.2 CCC1=CC(Br)=NC=C1 P45487 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.2 CCC1=CC=CC(Br)=N1 Q52717 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.2 CCC1=CC=CC(Cl)=N1 Q62319 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.2 CCC1=CC=CC(F)=N1 Q62318 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.2 CCC1=NC=CC(N)=C1 L18226 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.2 CNC1=CC(Br)=CN=C1 P51196 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.2 CNC1=CC(C)=CC=N1 Q58361 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.2 CNC1=CC(C)=CC=N1 Q58362 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.2 CNC1=CC(O)=CC=C1 P41161 [0,2,0,0,0,0|0,0,0]=2 524 B9R1.2 CNC1=CC=CC(F)=N1 Q58333 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.2 CNC1=CC=CC(I)=C1 P37043 [0,2,0,0,0,0|1,0,0]=3 526 B9R1.2 CNC1=NC=CC(I)=C1 N26836 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.2 COC1=CC(C)=CN=C1 N25271 [0,2,0,0,0,0|1,0,0]=3 528 B9R1.2 COC1=CC(Cl)=NN=C1 G-7934 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.2 COC1=CC(F)=NC=C1 Q67856 [0,2,0,0,0,0|1,0,0]=3 530 B9R1.2 COC1=CC(N)=CN=C1 Q56314 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.2 COC1=CC=CC(I)=N1 O32550 [0,2,0,0,0,0|1,0,0]=3 532 B9R1.2 COC1=CC=NC(=S)N1 H-8155 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.2 COC1=CC=NC(Br)=N1 S86521 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.2 COC1=CN=CC(Br)=N1 O30481 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.2 COC1=CN=CC(Cl)=C1 S70722 [0,2,0,0,0,0|1,0,0]=3 536 B9R1.2 COC1=CN=CC(N)=C1 G-6107 [0,2,0,0,0,0|1,0,0]=3 537 B9R1.2 COC1=CN=CC(N)=N1 O31831 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.2 COC1=CN=CC(O)=C1 O31805 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.2 COC1=NC(N)=CC=N1 C-2497 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.2 COC1=NC=CC(Br)=C1 Q67517 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.2 COC1=NC=CC(Br)=N1 I-9088 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.2 COC1=NC=CC(Cl)=C1 Q68014 [0,2,0,0,0,0|1,0,0]=3 543 B9R1.2 COC1=NC=CC(Cl)=N1 L22353 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.2 COC1=NC=CC(I)=C1 Q67717 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.2 COC1=NC=CC(N)=C1 G-5580 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.2 COC1=NC=CC(O)=C1 N25339 [0,2,0,0,0,0|1,0,0]=3 547 B9R1.2 COC1=NC=CC(O)=N1 O30030 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.2 CSC1=CC(F)=NC=C1 N26858 [0,2,0,0,0,0|1,1,0]=4 549 B9R1.2 CSC1=CC=CC(Br)=N1 P51643 [0,2,0,0,0,0|1,1,0]=4 550 B9R1.2 CSC1=CN=CC(Br)=C1 Q67547 [0,2,0,0,0,0|1,1,0]=4 551 B9R1.2 CSC1=CN=CC(Cl)=C1 N26275 [0,2,0,0,0,0|1,1,0]=4 552 B9R1.2 CSC1=CN=CC(O)=C1 N26050 [0,2,0,0,0,0|1,0,0]=3 553 B9R1.2 ClC1=CN=CC(CBr)=C1 Q53180 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.2 ClC1=NC(CBr)=CC=C1 N26153 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.2 ClCC1=CC(Cl)=CN=C1 F-4077 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.2 ClCC1=CC(Cl)=NC=C1 I-9215 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.2 ClCC1=CN=CC(Cl)=C1 Q53715 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.2 FC1=CN=CC(CCl)=C1 C-3497 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.2 N#CC1=CC(Br)=NC=C1 P42896 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.2 N#CC1=CC(F)=CN=C1 O31819 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.2 N#CC1=CC(N)=CC=N1 C-2284 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.2 N#CC1=CC(N)=CN=C1 O31111 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.2 N#CC1=CC(O)=CN=C1 E-3095 [0,2,0,0,0,0|1,0,0]=3 564 B9R1.2 N#CC1=CC(O)=NC=C1 S72686 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.2 N#CC1=CC=CC(=O)N1 P44938 [0,2,0,0,0,0|1,0,1]=4 566 B9R1.2 N#CC1=CC=CC(Cl)=N1 E-3083 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.2 N#CC1=NC(Br)=CC=C1 G-5119 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.2 N#CC1=NC(N)=CC=C1 O31090 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.2 N#CC1=NC=CC(Br)=C1 E-3011 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.2 N#CC1=NC=CC(O)=C1 O29686 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [0,2,0,0,0,0|0,0,1]=3 572 B9R1.2 NC1=CC(CO)=NC=C1 P43136 [0,2,0,0,0,0|1,0,0]=3 573 B9R1.2 NC1=CC(CO)=NC=N1 Q57201 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.2 NC1=NC(C=O)=CC=C1 Q53329 [0,2,0,0,0,0|1,0,1]=4 575 B9R1.2 NC1=NC=CC(C=O)=C1 G-5572 [0,2,0,0,0,0|1,0,1]=4 576 B9R1.2 NC1=NC=CC(CO)=C1 G-7574 [0,2,0,0,0,0|1,0,0]=3 577 B9R1.2 NCC1=CC(=O)NC=C1 C-3609 [0,2,0,0,0,0|1,0,1]=4 578 B9R1.2 NCC1=CC(=O)NC=C1 P44155 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.2 NCC1=CC(Br)=CN=C1 O31870 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.2 NCC1=CC(Cl)=NC=C1 I-9257 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.2 NCC1=CC(Cl)=NC=C1 L22480 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.2 NCC1=CC(F)=CC=N1 Q52932 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.2 NCC1=CC(F)=NC=C1 O29911 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.2 NCC1=CC(F)=NC=C1 O31041 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.2 NCC1=CC(O)=CC=C1 P36367 [0,2,0,0,0,0|0,0,0]=2 586 B9R1.2 NCC1=CC=CC(=O)N1 O30155 [0,2,0,0,0,0|1,0,1]=4 587 B9R1.2 NCC1=CC=CC(F)=C1 N26365 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.2 NCC1=CN=CC(F)=C1 C-3498 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.2 NCC1=CN=CC(N)=C1 O29974 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.2 NCC1=CN=CC(N)=C1 O31108 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.2 NCC1=C[N+]([O-])=CC=C1 Q55759 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.2 NCC1=NC(Br)=CC=C1 O34414 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.2 NCC1=NC(F)=CC=C1 O30290 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.2 NCC1=NC(F)=CC=C1 O31621 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.2 NCC1=NC(N)=CC=C1 L20065 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.2 NCC1=NC(N)=CC=C1 Q62425 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.2 NCC1=NC(N)=CC=C1 Q62426 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.2 NCC1=NC=CC(Br)=C1 G-5659 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.2 NCC1=NC=CC(Br)=C1 O33288 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.2 NCC1=NC=CC(Br)=C1 Q51926 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.2 NCC1=NC=CC(Cl)=C1 I-9896 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.2 NCC1=NC=CC(Cl)=C1 Q56342 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.2 NCC1=NC=CC(F)=C1 O29654 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.2 NCC1=NC=CC(O)=C1 O29566 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.2 NCC1=NC=NC(O)=C1 G-6198 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.2 NNC1=CC(Cl)=NC=C1 O30804 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.2 NNC1=CN=CC(Br)=C1 Q57187 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.2 NNC1=CN=CC(Br)=C1 Q57188 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.2 NNC1=NC=CC(Cl)=C1 P43285 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.2 N\N=C1/C=C(I)C=CN1 N25209 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.2 O=C1C=C(CO)C=CN1 C-2797 [0,2,0,0,0,0|1,0,0]=3 612 B9R1.2 O=C1C=CC=C(CO)N1 Q52489 [0,2,0,0,0,0|1,0,0]=3 613 B9R1.2 O=CC1=CC(Cl)=CN=C1 L21834 [0,2,0,0,0,0|1,0,1]=4 614 B9R1.2 O=CC1=CC(F)=CN=C1 C-3502 [0,2,0,0,0,0|1,0,1]=4 615 B9R1.2 O=CC1=CC(F)=NC=C1 Q66309 [0,2,0,0,0,0|1,0,1]=4 616 B9R1.2 O=CC1=CC(O)=CN=C1 O31574 [0,2,0,0,0,0|1,0,0]=3 617 B9R1.2 O=CC1=NC=CC(Cl)=C1 G-5341 [0,2,0,0,0,0|1,0,1]=4 618 B9R1.2 O=CC1=NC=CC(F)=C1 Q56665 [0,2,0,0,0,0|1,0,1]=4 619 B9R1.2 O=CC1=NC=CC(O)=C1 Q53140 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.2 O=CC1=NC=NC(O)=C1 S72508 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.2 OC1=CC=CC(CBr)=C1 O29845 [0,2,0,0,0,0|0,0,0]=2 622 B9R1.2 OCC1=CC(Cl)=CN=C1 P39543 [0,2,0,0,0,0|1,0,0]=3 623 B9R1.2 OCC1=CC(Cl)=NC=C1 Q67739 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.2 OCC1=CC(Cl)=NC=N1 G-7201 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.2 OCC1=CC(F)=CN=C1 C-3496 [0,2,0,0,0,0|1,0,0]=3 626 B9R1.2 OCC1=CC(F)=NC=C1 P41706 [0,2,0,0,0,0|1,0,0]=3 627 B9R1.2 OCC1=CN=CC(Br)=C1 P38449 [0,2,0,0,0,0|1,0,0]=3 628 B9R1.2 OCC1=NC(Br)=CC=C1 P38733 [0,2,0,0,0,0|1,0,0]=3 629 B9R1.2 OCC1=NC(F)=CC=C1 P38880 [0,2,0,0,0,0|1,0,0]=3 630 B9R1.2 OCC1=NC=CC(Br)=C1 B-1208 [0,2,0,0,0,0|1,0,0]=3 631 B9R1.2 OCC1=NC=CC(F)=C1 O29281 [0,2,0,0,0,0|1,0,0]=3 632 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 O29734 [0,2,0,0,0,0|1,0,1]=4 633 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,2,0,0,0,0|1,0,1]=4 634 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.6 CC(O)C1=CN=CN=C1 Q55478 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [0,2,0,0,0,0|1,0,1]=4 639 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [0,2,0,0,0,0|2,0,0]=4 642 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.6 O=S([O-])C1=CC=CN=C1 O32481 [0,2,0,0,0,0|1,0,1]=4 649 B9R1.6 O=S([O-])C1=CC=NC=C1 Q69553 [0,2,0,0,0,0|1,0,1]=4 650 B9R1.6 O=S([O-])C1=NC=CC=C1 O32707 [0,2,0,0,0,0|1,0,1]=4 651 B9R1.6 OB(O)C1=CC=NC=C1 C-3686 [0,2,0,0,0,0|1,0,0]=3 652 B9R1.6 OB(O)C1=CN=CN=C1 A-805 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.6 OB(O)C1=NC=NC=C1 H-8023 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [0,2,0,0,0,0|2,0,0]=4 655 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [0,2,0,0,0,0|2,0,0]=4 656 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [0,2,0,0,0,0|2,0,0]=4 657 B9R1.8 CNCC1=CC=CN=C1 P35002 [0,2,0,0,0,0|2,0,0]=4 658 B9R1.8 CNCC1=CC=NC=C1 P36555 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.8 CNCC1=NC=CC=C1 P39822 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.8 N#CCC1=CC=NC=C1 P41732 [0,2,0,0,0,0|2,0,0]=4 661 B9R1.8 NNCC1=CC=CC=C1 P43525 [0,2,0,0,0,0|1,0,0]=3 662 B9R1.8 NNCC1=CC=CN=C1 O31533 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.8 NNCC1=CC=NC=C1 C-3253 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.8 NNCC1=CC=NC=C1 L13556 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.8 NNCC1=CC=NC=C1 O32212 [0,2,0,0,0,0|2,0,0]=4 666 B9R1.8 NNCC1=CN=CC=C1 C-3254 [0,2,0,0,0,0|2,0,0]=4 667 B9R1.8 NNCC1=NC=CC=C1 C-3255 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.8 NNCC1=NC=CC=C1 O31423 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.8 O=C=NC1=NC=CC=C1 P43266 [0,2,0,0,0,0|1,0,1]=4 670 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [0,2,0,0,0,0|1,0,1]=4 671 B9R1.8 OCCC1=CC=CN=C1 O28068 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.8 OCCC1=CC=NC=C1 P37585 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.8 OCCC1=CC=NC=N1 Q56821 [0,2,0,0,0,0|2,0,0]=4 674 B9R1.8 OCCC1=NC=CC=N1 Q56820 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.8 O\N=C\C1=CC=NC=N1 Q58586 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 O32008 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.15 BrCC1=CC=CN=C1Br O30364 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.15 BrCC1=NC=CC=C1Br O34067 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.15 C#CC1=C(C)C=NC=C1 Q54976 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.15 C#CC1=C(Cl)C=NC=C1 O31010 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.15 C#CC1=C(F)C=NC=C1 Q54977 [0,2,0,0,0,0|2,0,0]=4 682 B9R1.15 C#CC1=CC=CC=C1Br O27884 [0,2,0,0,0,0|1,0,0]=3 683 B9R1.15 C#CC1=CC=CC=C1C O28000 [0,2,0,0,0,0|1,0,0]=3 684 B9R1.15 C#CC1=CC=CC=C1N L13529 [0,2,0,0,0,0|1,0,0]=3 685 B9R1.15 C#CC1=CC=CC=C1O O30353 [0,2,0,0,0,0|0,0,0]=2 686 B9R1.15 C#CC1=CC=CN=C1N O32682 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.15 C#CC1=CC=CNC1=O Q52687 [0,2,0,0,0,0|1,0,1]=4 688 B9R1.15 C#CC1=NC=CC=C1C O31053 [0,2,0,0,0,0|2,0,0]=4 689 B9R1.15 C(=O)C1=C(O)C=CN=C1 Q57085 [0,2,0,0,0,0|1,0,0]=3 690 B9R1.15 C(=O)C1=CC=CN=C1C C-2892 [0,2,0,0,0,0|1,0,1]=4 691 B9R1.15 C(=O)C1=CC=CN=C1N E-3082 [0,2,0,0,0,0|1,0,1]=4 692 B9R1.15 C(=O)C1=CN=CC=C1C C-2893 [0,2,0,0,0,0|1,0,1]=4 693 B9R1.15 C=CC1=C(C)N=CC=C1 L14938 [0,2,0,0,0,0|2,0,0]=4 694 B9R1.15 C=CC1=CC=CC=C1N O30540 [0,2,0,0,0,0|1,0,0]=3 695 B9R1.15 C=CC1=CC=CN=C1Br O29963 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.15 CC1=C(C#N)C=CN=C1 L18073 [0,2,0,0,0,0|2,0,0]=4 697 B9R1.15 CC1=C(C=O)N=CC=C1 G-5812 [0,2,0,0,0,0|1,0,1]=4 698 B9R1.15 CC1=C(CBr)C=CC=N1 L22017 [0,2,0,0,0,0|2,0,0]=4 699 B9R1.15 CC1=C(CCl)C=CN=C1 L18062 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.15 CC1=C(CN)C=CN=C1 O30239 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.15 CC1=C(CN)C=NC=C1 G-7930 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.15 CC1=C(CO)C=NC=C1 G-7931 [0,2,0,0,0,0|1,0,0]=3 703 B9R1.15 CC1=C(CO)N=CC=C1 Q62329 [0,2,0,0,0,0|1,0,0]=3 704 B9R1.15 CC1=CC=CN=C1CBr O30100 [0,2,0,0,0,0|2,0,0]=4 705 B9R1.15 CC1=CC=CN=C1CN P40986 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.15 CC1=CN=CC=C1CO C-2894 [0,2,0,0,0,0|1,0,0]=3 707 B9R1.15 CC1=NC=CC=C1C#N G-5742 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.15 CC1=NC=CC=C1CCl L13040 [0,2,0,0,0,0|2,0,0]=4 709 B9R1.15 CC1=NC=CC=C1CN P37228 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.15 CC1=NC=CC=C1CO 10789 [0,2,0,0,0,0|1,0,0]=3 711 B9R1.15 CC1=NC=CN=C1CO I-9745 [0,2,0,0,0,0|2,0,0]=4 712 B9R1.15 CCC1=C(Br)C=CN=C1 G-5778 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.15 CCC1=C(Br)C=CN=C1 L22190 [0,2,0,0,0,0|2,0,0]=4 714 B9R1.15 CCC1=C(Br)C=CN=C1 Q52444 [0,2,0,0,0,0|2,0,0]=4 715 B9R1.15 CCC1=C(Br)C=NC=C1 P44427 [0,2,0,0,0,0|2,0,0]=4 716 B9R1.15 CCC1=CC=CN=C1N P38117 [0,2,0,0,0,0|2,0,0]=4 717 B9R1.15 CNC1=NC=CC=C1F Q69363 [0,2,0,0,0,0|2,0,0]=4 718 B9R1.15 CNC1=NC=CC=C1I N27017 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.15 CNC1=NC=CC=C1N M23208 [0,2,0,0,0,0|2,0,0]=4 720 B9R1.15 COC1=C(Br)C=CN=C1 H-8447 [0,2,0,0,0,0|1,0,0]=3 721 B9R1.15 COC1=C(Br)C=CN=C1 O30229 [0,2,0,0,0,0|1,0,0]=3 722 B9R1.15 COC1=C(Br)C=NC=C1 O30836 [0,2,0,0,0,0|1,0,0]=3 723 B9R1.15 COC1=C(Cl)N=CN=C1 M15583 [0,2,0,0,0,0|2,0,0]=4 724 B9R1.15 COC1=C(I)C=NC=C1 N24568 [0,2,0,0,0,0|1,0,0]=3 725 B9R1.15 COC1=C(N)C=CN=C1 I-9880 [0,2,0,0,0,0|1,0,0]=3 726 B9R1.15 COC1=C(N)C=NC=C1 O31833 [0,2,0,0,0,0|1,0,0]=3 727 B9R1.15 COC1=C(O)C=NC=C1 O30206 [0,2,0,0,0,0|1,0,0]=3 728 B9R1.15 COC1=C(O)N=CN=C1 Q54677 [0,2,0,0,0,0|2,0,0]=4 729 B9R1.15 COC1=CC=CN=C1Br Q70056 [0,2,0,0,0,0|1,0,0]=3 730 B9R1.15 COC1=CC=CN=C1Cl Q67413 [0,2,0,0,0,0|1,0,0]=3 731 B9R1.15 COC1=CC=CN=C1F Q67464 [0,2,0,0,0,0|1,0,0]=3 732 B9R1.15 COC1=CC=CN=C1N Q67917 [0,2,0,0,0,0|1,0,0]=3 733 B9R1.15 COC1=NC=CC=C1Br Q66368 [0,2,0,0,0,0|1,0,0]=3 734 B9R1.15 COC1=NC=CC=C1Cl Q67093 [0,2,0,0,0,0|1,0,0]=3 735 B9R1.15 COC1=NC=CC=C1O Q67611 [0,2,0,0,0,0|1,0,0]=3 736 B9R1.15 COC1=NC=CN=C1N O30666 [0,2,0,0,0,0|2,0,0]=4 737 B9R1.15 COC1=NC=NC=C1N O30116 [0,2,0,0,0,0|2,0,0]=4 738 B9R1.15 COC1=NC=NC=C1N O31509 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.15 CSC1=C(Br)C=CN=C1 N25058 [0,2,0,0,0,0|1,1,0]=4 740 B9R1.15 CSC1=C(F)C=NC=C1 N26954 [0,2,0,0,0,0|1,1,0]=4 741 B9R1.15 CSC1=CC=CN=C1Cl N24208 [0,2,0,0,0,0|1,1,0]=4 742 B9R1.15 CSC1=CC=CN=C1F Q67766 [0,2,0,0,0,0|1,1,0]=4 743 B9R1.15 CSC1=NC=CC=C1Cl N27821 [0,2,0,0,0,0|1,1,0]=4 744 B9R1.15 ClC1=CC=CN=C1CBr O29992 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.15 ClC1=CC=CN=C1CBr O30940 [0,2,0,0,0,0|2,0,0]=4 746 B9R1.15 ClCC1=CC=CN=C1Cl G-5569 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.15 FC1=C(CCl)C=CC=N1 Q55014 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.15 FC1=CC=CN=C1CBr F-4122 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.15 FC1=CC=CN=C1CBr L22053 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.15 FC1=CN=CC=C1CBr Q64618 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.15 FC1=NC=CC=C1CBr P38938 [0,2,0,0,0,0|2,0,0]=4 752 B9R1.15 N#CC1=C(Br)C=NC=C1 Q66737 [0,2,0,0,0,0|2,0,0]=4 753 B9R1.15 N#CC1=C(Cl)C=NC=C1 Q62490 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.15 N#CC1=C(F)C=CN=C1 Q52647 [0,2,0,0,0,0|2,0,0]=4 755 B9R1.15 N#CC1=C(I)C=CN=C1 F-4078 [0,2,0,0,0,0|2,0,0]=4 756 B9R1.15 N#CC1=C(N)C=NC=C1 E-3100 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.15 N#CC1=NC=CC=C1Br P37427 [0,2,0,0,0,0|2,0,0]=4 758 B9R1.15 N#CC1=NC=CC=C1F G-6791 [0,2,0,0,0,0|2,0,0]=4 759 B9R1.15 N#CC1=NC=CC=C1I N24644 [0,2,0,0,0,0|2,0,0]=4 760 B9R1.15 N#CC1=NC=CC=C1N C-3688 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.15 NC1=C(C=O)C=CN=C1 I-9640 [0,2,0,0,0,0|1,0,1]=4 762 B9R1.15 NC1=C(C=O)C=NC=C1 Q51902 [0,2,0,0,0,0|1,0,1]=4 763 B9R1.15 NC1=C(CO)C=NC=C1 O34460 [0,2,0,0,0,0|1,0,0]=3 764 B9R1.15 NC1=CC=CC=C1CO G-7793 [0,2,0,0,0,0|0,0,0]=2 765 B9R1.15 NC1=NC=CC=C1CO O32321 [0,2,0,0,0,0|1,0,0]=3 766 B9R1.15 NC1=NC=NC=C1CO Q58609 [0,2,0,0,0,0|2,0,0]=4 767 B9R1.15 NCC1=C(Br)C=NC=C1 Q52844 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.15 NCC1=C(Cl)C=NC=C1 O29784 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.15 NCC1=C(F)C=NC=C1 O30341 [0,2,0,0,0,0|2,0,0]=4 770 B9R1.15 NCC1=C(F)C=NC=C1 O31298 [0,2,0,0,0,0|2,0,0]=4 771 B9R1.15 NCC1=C(N)C=CN=C1 Q53195 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.15 NCC1=C(O)C=CN=C1 Q62259 [0,2,0,0,0,0|1,0,0]=3 773 B9R1.15 NCC1=CC=CC=C1Br P38336 [0,2,0,0,0,0|1,0,0]=3 774 B9R1.15 NCC1=CC=CC=C1I P38307 [0,2,0,0,0,0|1,0,0]=3 775 B9R1.15 NCC1=CC=CN=C1Cl G-7575 [0,2,0,0,0,0|2,0,0]=4 776 B9R1.15 NCC1=CC=CN=C1Cl O31037 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.15 NCC1=CC=CN=C1N Q58373 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.15 NCC1=NC=CC=C1Br P43535 [0,2,0,0,0,0|2,0,0]=4 779 B9R1.15 NCC1=NC=CC=C1Cl L14332 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.15 NCC1=NC=CC=C1Cl P37858 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.15 NCC1=NC=CC=C1F L21946 [0,2,0,0,0,0|2,0,0]=4 782 B9R1.15 NCC1=NC=CC=C1F P45775 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.15 N\N=C1\NC=CC=C1I N25345 [0,2,0,0,0,0|2,0,0]=4 784 B9R1.15 O=C1NC=CC=C1CO L18304 [0,2,0,0,0,0|1,0,0]=3 785 B9R1.15 O=CC1=C(Br)C=CN=C1 L14209 [0,2,0,0,0,0|1,0,1]=4 786 B9R1.15 O=CC1=C(Br)C=CN=C1 L21843 [0,2,0,0,0,0|1,0,1]=4 787 B9R1.15 O=CC1=C(Br)C=CN=C1 N24911 [0,2,0,0,0,0|1,0,1]=4 788 B9R1.15 O=CC1=C(Br)C=NC=C1 Q66929 [0,2,0,0,0,0|1,0,1]=4 789 B9R1.15 O=CC1=C(Br)C=NC=C1 Q67986 [0,2,0,0,0,0|1,0,1]=4 790 B9R1.15 O=CC1=C(Cl)C=CN=C1 G-7008 [0,2,0,0,0,0|1,0,1]=4 791 B9R1.15 O=CC1=C(Cl)C=CN=C1 N24210 [0,2,0,0,0,0|1,0,1]=4 792 B9R1.15 O=CC1=C(Cl)C=NC=C1 N27329 [0,2,0,0,0,0|1,0,1]=4 793 B9R1.15 O=CC1=C(F)C=CN=C1 Q56666 [0,2,0,0,0,0|1,0,1]=4 794 B9R1.15 O=CC1=C(I)C=CC=C1 G-5775 [0,2,0,0,0,0|0,0,1]=3 795 B9R1.15 O=CC1=NC=CC=C1Br O31907 [0,2,0,0,0,0|1,0,1]=4 796 B9R1.15 O=CC1=NC=CC=C1Cl O31967 [0,2,0,0,0,0|1,0,1]=4 797 B9R1.15 O=CC1=NC=CC=C1F Q66589 [0,2,0,0,0,0|1,0,1]=4 798 B9R1.15 O=CC1=NC=CC=C1O L22205 [0,2,0,0,0,0|1,0,0]=3 799 B9R1.15 OCC1=C(Br)C=CN=C1 N25303 [0,2,0,0,0,0|1,0,0]=3 800 B9R1.15 OCC1=C(Br)C=CN=C1 N25521 [0,2,0,0,0,0|1,0,0]=3 801 B9R1.15 OCC1=C(Br)C=CN=C1 N25828 [0,2,0,0,0,0|1,0,0]=3 802 B9R1.15 OCC1=C(Br)C=NC=C1 P41171 [0,2,0,0,0,0|1,0,0]=3 803 B9R1.15 OCC1=C(Cl)C=CN=C1 O31919 [0,2,0,0,0,0|1,0,0]=3 804 B9R1.15 OCC1=C(Cl)C=NC=C1 P36007 [0,2,0,0,0,0|1,0,0]=3 805 B9R1.15 OCC1=C(Cl)N=CN=C1 F-4870 [0,2,0,0,0,0|2,0,0]=4 806 B9R1.15 OCC1=C(F)C=CN=C1 L14446 [0,2,0,0,0,0|1,0,0]=3 807 B9R1.15 OCC1=C(F)C=CN=C1 Q55508 [0,2,0,0,0,0|1,0,0]=3 808 B9R1.15 OCC1=C(F)C=NC=C1 G-5482 [0,2,0,0,0,0|1,0,0]=3 809 B9R1.15 OCC1=CC=CN=C1Br P41707 [0,2,0,0,0,0|1,0,0]=3 810 B9R1.15 OCC1=CC=CN=C1Cl C-3458 [0,2,0,0,0,0|1,0,0]=3 811 B9R1.15 OCC1=CC=CN=C1F Q67775 [0,2,0,0,0,0|1,0,0]=3 812 B9R1.15 OCC1=NC=CC=C1F C-2822 [0,2,0,0,0,0|1,0,0]=3 813 B9R1.15 OCC1=NC=CC=C1O P41369 [0,2,0,0,0,0|1,0,0]=3 814 B9R1.15 OCC1=NC=CN=C1Cl C-3728 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.15 [O-][N+]1=CC=CC=C1CCl O31709 [0,2,0,0,0,0|1,0,1]=4 816 B9R1.69 BrC1=CC=C(Br)C(I)=C1 Q67122 [0,2,0,0,0,0|1,0,0]=3 817 B9R1.69 BrC1=CN=C(Br)C(I)=C1 N26451 [0,2,0,0,0,0|2,0,0]=4 818 B9R1.69 BrC1=CN=C(Br)C=C1I Q67162 [0,2,0,0,0,0|2,0,0]=4 819 B9R1.69 BrC1=CN=C(I)C(Br)=C1 N25436 [0,2,0,0,0,0|2,0,0]=4 820 B9R1.69 CC1=C(Br)C=C(O)C=N1 L13704 [0,2,0,0,0,0|1,0,0]=3 821 B9R1.69 CC1=C(Br)N=C(Cl)C=C1 Q62370 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.69 CC1=C(Br)N=C(F)C=C1 Q62204 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.69 CC1=C(Br)N=C(N)C=C1 L14830 [0,2,0,0,0,0|2,0,0]=4 824 B9R1.69 CC1=C(Br)N=CC(O)=C1 O30641 [0,2,0,0,0,0|1,0,0]=3 825 B9R1.69 CC1=C(C)N=CC(O)=C1 Q68800 [0,2,0,0,0,0|1,0,0]=3 826 B9R1.69 CC1=C(F)C=CC(Br)=N1 E-3085 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.69 CC1=C(F)N=CC(O)=C1 O31119 [0,2,0,0,0,0|1,0,0]=3 828 B9R1.69 CC1=C(I)C=CC(F)=N1 Q67968 [0,2,0,0,0,0|2,0,0]=4 829 B9R1.69 CC1=C(I)C=CC(N)=N1 Q67860 [0,2,0,0,0,0|2,0,0]=4 830 B9R1.69 CC1=C(N)C=NC(F)=C1 S70889 [0,2,0,0,0,0|2,0,0]=4 831 B9R1.69 CC1=C(O)C=C(I)C=C1 N25358 [0,2,0,0,0,0|0,0,0]=2 832 B9R1.69 CC1=C(O)C=NC(N)=C1 Q62481 [0,2,0,0,0,0|1,0,0]=3 833 B9R1.69 CC1=CC(Br)=CN=C1C Q67203 [0,2,0,0,0,0|2,0,0]=4 834 B9R1.69 CC1=CC(Br)=CN=C1F E-3110 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.69 CC1=CC(Br)=CN=C1I N24586 [0,2,0,0,0,0|2,0,0]=4 836 B9R1.69 CC1=CC(Br)=NC=C1Cl Q67207 [0,2,0,0,0,0|2,0,0]=4 837 B9R1.69 CC1=CC(Br)=NC=C1I Q68044 [0,2,0,0,0,0|2,0,0]=4 838 B9R1.69 CC1=CC(Br)=NC=C1N G-6075 [0,2,0,0,0,0|2,0,0]=4 839 B9R1.69 CC1=CC(Br)=NC=C1O N25753 [0,2,0,0,0,0|1,0,0]=3 840 B9R1.69 CC1=CC(Cl)=CN=C1Br P36800 [0,2,0,0,0,0|2,0,0]=4 841 B9R1.69 CC1=CC(Cl)=NC=C1Br P44610 [0,2,0,0,0,0|2,0,0]=4 842 B9R1.69 CC1=CC(Cl)=NC=C1Cl Q67201 [0,2,0,0,0,0|2,0,0]=4 843 B9R1.69 CC1=CC(Cl)=NC=C1F Q67353 [0,2,0,0,0,0|2,0,0]=4 844 B9R1.69 CC1=CC(Cl)=NC=C1I N25567 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.69 CC1=CC(Cl)=NC=C1O N24851 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.69 CC1=CC(F)=CN=C1Br E-3121 [0,2,0,0,0,0|2,0,0]=4 847 B9R1.69 CC1=CC(F)=CN=C1Cl Q67523 [0,2,0,0,0,0|2,0,0]=4 848 B9R1.69 CC1=CC(F)=NC=C1I Q67341 [0,2,0,0,0,0|2,0,0]=4 849 B9R1.69 CC1=CC(F)=NC=C1O N24453 [0,2,0,0,0,0|1,0,0]=3 850 B9R1.69 CC1=CC(I)=CN=C1Br Q67234 [0,2,0,0,0,0|2,0,0]=4 851 B9R1.69 CC1=CC(I)=CN=C1Cl N24656 [0,2,0,0,0,0|2,0,0]=4 852 B9R1.69 CC1=CC(I)=CN=C1F N25125 [0,2,0,0,0,0|2,0,0]=4 853 B9R1.69 CC1=CC(I)=NC=C1Br N24311 [0,2,0,0,0,0|2,0,0]=4 854 B9R1.69 CC1=CC(N)=C(C)N=C1 Q52631 [0,2,0,0,0,0|2,0,0]=4 855 B9R1.69 CC1=CC(N)=CN=C1F P40260 [0,2,0,0,0,0|2,0,0]=4 856 B9R1.69 CC1=CC(N)=NC=C1I N24328 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.69 CC1=CC(O)=C(N)N=C1 M15013 [0,2,0,0,0,0|1,0,0]=3 858 B9R1.69 CC1=CC(O)=CN=C1Cl Q67268 [0,2,0,0,0,0|1,0,0]=3 859 B9R1.69 CC1=CC(S)=CC=C1O O29326 [0,2,0,0,0,0|0,0,0]=2 860 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 P40305 [0,2,0,0,0,0|2,0,0]=4 861 B9R1.69 CC1=CC=C(Br)C(O)=C1 Q66624 [0,2,0,0,0,0|0,0,0]=2 862 B9R1.69 CC1=CC=C(Br)C(O)=N1 P38466 [0,2,0,0,0,0|1,0,0]=3 863 B9R1.69 CC1=CC=C(Br)N=C1Br Q52522 [0,2,0,0,0,0|2,0,0]=4 864 B9R1.69 CC1=CC=C(Br)N=C1N L14151 [0,2,0,0,0,0|2,0,0]=4 865 B9R1.69 CC1=CC=C(Cl)C(I)=C1 N24139 [0,2,0,0,0,0|1,0,0]=3 866 B9R1.69 CC1=CC=C(F)C(Cl)=N1 P38467 [0,2,0,0,0,0|2,0,0]=4 867 B9R1.69 CC1=CC=C(F)N=C1C N25218 [0,2,0,0,0,0|2,0,0]=4 868 B9R1.69 CC1=CC=C(I)C=C1Br Q67390 [0,2,0,0,0,0|1,0,0]=3 869 B9R1.69 CC1=CC=C(N)C(Br)=N1 Q66345 [0,2,0,0,0,0|2,0,0]=4 870 B9R1.69 CC1=CC=C(N)C(Cl)=N1 E-3066 [0,2,0,0,0,0|2,0,0]=4 871 B9R1.69 CC1=CC=C(O)C(Br)=N1 O31920 [0,2,0,0,0,0|1,0,0]=3 872 B9R1.69 CC1=CC=C(O)C(F)=N1 N25240 [0,2,0,0,0,0|1,0,0]=3 873 B9R1.69 CC1=CC=C(O)C=C1I N25087 [0,2,0,0,0,0|0,0,0]=2 874 B9R1.69 CC1=CC=C(O)C=C1O Q67730 [0,2,0,0,0,0|0,0,0]=2 875 B9R1.69 CC1=CN=C(Br)C(C)=C1 Q67235 [0,2,0,0,0,0|2,0,0]=4 876 B9R1.69 CC1=CN=C(Br)C(O)=C1 O31217 [0,2,0,0,0,0|1,0,0]=3 877 B9R1.69 CC1=CN=C(Br)C=C1N O30047 [0,2,0,0,0,0|2,0,0]=4 878 B9R1.69 CC1=CN=C(C)C=C1Cl Q52588 [0,2,0,0,0,0|2,0,0]=4 879 B9R1.69 CC1=CN=C(Cl)C(C)=C1 O31502 [0,2,0,0,0,0|2,0,0]=4 880 B9R1.69 CC1=CN=C(Cl)C=C1N O30252 [0,2,0,0,0,0|2,0,0]=4 881 B9R1.69 CC1=CN=C(F)C(C)=C1 N24360 [0,2,0,0,0,0|2,0,0]=4 882 B9R1.69 CC1=CN=C(F)C(I)=C1 Q66451 [0,2,0,0,0,0|2,0,0]=4 883 B9R1.69 CC1=CN=C(F)C(O)=C1 N24979 [0,2,0,0,0,0|1,0,0]=3 884 B9R1.69 CC1=CN=C(F)C=C1Br N26238 [0,2,0,0,0,0|2,0,0]=4 885 B9R1.69 CC1=CN=C(F)C=C1C N26251 [0,2,0,0,0,0|2,0,0]=4 886 B9R1.69 CC1=CN=C(F)C=C1I Q66675 [0,2,0,0,0,0|2,0,0]=4 887 B9R1.69 CC1=CN=C(N)C(I)=C1 L14762 [0,2,0,0,0,0|2,0,0]=4 888 B9R1.69 CC1=CNC(=O)C=C1Br Q55598 [0,2,0,0,0,0|1,0,1]=4 889 B9R1.69 CC1=CNC(=O)C=C1I Q68536 [0,2,0,0,0,0|1,0,1]=4 890 B9R1.69 CC1=NC(Br)=CC=C1O N24808 [0,2,0,0,0,0|1,0,0]=3 891 B9R1.69 CC1=NC(Cl)=CC=C1Br O30570 [0,2,0,0,0,0|2,0,0]=4 892 B9R1.69 CC1=NC(Cl)=CC=C1I N24636 [0,2,0,0,0,0|2,0,0]=4 893 B9R1.69 CC1=NC(Cl)=CC=C1N E-3067 [0,2,0,0,0,0|2,0,0]=4 894 B9R1.69 CC1=NC(Cl)=CC=C1O N25213 [0,2,0,0,0,0|1,0,0]=3 895 B9R1.69 CC1=NC(Cl)=NC=C1O L13095 [0,2,0,0,0,0|2,0,0]=4 896 B9R1.69 CC1=NC(F)=C(F)C=C1 Q62366 [0,2,0,0,0,0|2,0,0]=4 897 B9R1.69 CC1=NC(F)=C(I)C=C1 Q57229 [0,2,0,0,0,0|2,0,0]=4 898 B9R1.69 CC1=NC(F)=CC=C1O N24634 [0,2,0,0,0,0|1,0,0]=3 899 B9R1.69 CC1=NC(I)=CC=C1Br N24406 [0,2,0,0,0,0|2,0,0]=4 900 B9R1.69 CC1=NC(N)=CC=C1O Q62482 [0,2,0,0,0,0|1,0,0]=3 901 B9R1.69 CC1=NC(O)=CC=C1Br Q67757 [0,2,0,0,0,0|1,0,0]=3 902 B9R1.69 CC1=NC=C(Br)C(Cl)=C1 C-3762 [0,2,0,0,0,0|2,0,0]=4 903 B9R1.69 CC1=NC=C(Br)C(N)=C1 C-3707 [0,2,0,0,0,0|2,0,0]=4 904 B9R1.69 CC1=NC=C(Br)C=C1Br O31816 [0,2,0,0,0,0|2,0,0]=4 905 B9R1.69 CC1=NC=C(Br)C=C1Cl G-6406 [0,2,0,0,0,0|2,0,0]=4 906 B9R1.69 CC1=NC=C(Br)C=C1N C-3241 [0,2,0,0,0,0|2,0,0]=4 907 B9R1.69 CC1=NC=C(Cl)C(Br)=C1 Q52635 [0,2,0,0,0,0|2,0,0]=4 908 B9R1.69 CC1=NC=C(Cl)C(N)=C1 Q62486 [0,2,0,0,0,0|2,0,0]=4 909 B9R1.69 CC1=NC=C(Cl)C=C1Br Q55456 [0,2,0,0,0,0|2,0,0]=4 910 B9R1.69 CC1=NC=C(Cl)C=C1N C-3693 [0,2,0,0,0,0|2,0,0]=4 911 B9R1.69 CC1=NC=C(F)C(Cl)=C1 Q56248 [0,2,0,0,0,0|2,0,0]=4 912 B9R1.69 CC1=NC=C(F)C(N)=C1 Q62487 [0,2,0,0,0,0|2,0,0]=4 913 B9R1.69 CC1=NC=C(F)C=C1Br Q55457 [0,2,0,0,0,0|2,0,0]=4 914 B9R1.69 CC1=NC=C(N)C(N)=C1 Q62392 [0,2,0,0,0,0|2,0,0]=4 915 B9R1.69 CC1=NC=C(N)C=C1Br C-2418 [0,2,0,0,0,0|2,0,0]=4 916 B9R1.69 CC1=NC=C(N)C=C1Cl Q52362 [0,2,0,0,0,0|2,0,0]=4 917 B9R1.69 CC1=NC=C(O)C(N)=N1 Q58695 [0,2,0,0,0,0|2,0,0]=4 918 B9R1.69 CN1C=C(Br)C=CC1=O G-5638 [0,2,0,0,0,0|1,0,1]=4 919 B9R1.69 CN1C=C(N)C=CC1=O L22303 [0,2,0,0,0,0|1,0,1]=4 920 B9R1.69 CN1C=C(O)C=CC1=O L22290 [0,2,0,0,0,0|1,0,0]=3 921 B9R1.69 CN1C=CC(Br)=CC1=O C-3607 [0,2,0,0,0,0|1,0,1]=4 922 B9R1.69 CN1C=CC(N)=CC1=O C-3232 [0,2,0,0,0,0|1,0,1]=4 923 B9R1.69 CN1C=CC(N)=CC1=O C-3232-1 [0,2,0,0,0,0|1,0,1]=4 924 B9R1.69 ClC1=CC(Br)=CN=C1Br G-6606 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.69 ClC1=CC(Br)=NC=C1I O32612 [0,2,0,0,0,0|2,0,0]=4 926 B9R1.69 ClC1=CC(I)=CN=C1Cl Q56613 [0,2,0,0,0,0|2,0,0]=4 927 B9R1.69 ClC1=CC=C(Br)C(Br)=C1 Q68281 [0,2,0,0,0,0|1,0,0]=3 928 B9R1.69 ClC1=CC=C(Br)C(I)=C1 Q67405 [0,2,0,0,0,0|1,0,0]=3 929 B9R1.69 ClC1=CC=C(Br)N=C1Cl N25739 [0,2,0,0,0,0|2,0,0]=4 930 B9R1.69 ClC1=CC=C(I)C=C1Br Q67848 [0,2,0,0,0,0|1,0,0]=3 931 B9R1.69 ClC1=CN=C(Br)C(I)=C1 N26321 [0,2,0,0,0,0|2,0,0]=4 932 B9R1.69 ClC1=CN=C(Br)C=C1I Q67163 [0,2,0,0,0,0|2,0,0]=4 933 B9R1.69 ClC1=CN=C(Cl)C=C1Br 10097 [0,2,0,0,0,0|2,0,0]=4 934 B9R1.69 ClC1=CN=C(Cl)C=C1Cl I-9624 [0,2,0,0,0,0|2,0,0]=4 935 B9R1.69 ClC1=CN=C(Cl)C=C1I Q67164 [0,2,0,0,0,0|2,0,0]=4 936 B9R1.69 ClC1=CN=C(I)C(Br)=C1 O32518 [0,2,0,0,0,0|2,0,0]=4 937 B9R1.69 ClC1=NC(Br)=CC=C1Br Q68075 [0,2,0,0,0,0|2,0,0]=4 938 B9R1.69 ClC1=NC=C(Br)C(I)=C1 P45653 [0,2,0,0,0,0|2,0,0]=4 939 B9R1.69 ClC1=NC=C(Br)C=C1I N24342 [0,2,0,0,0,0|2,0,0]=4 940 B9R1.69 FC1=C(I)N=C(Cl)C=C1 N26136 [0,2,0,0,0,0|2,0,0]=4 941 B9R1.69 FC1=CC(Cl)=NC=C1Br Q62386 [0,2,0,0,0,0|2,0,0]=4 942 B9R1.69 FC1=CC(Cl)=NC=C1I O33481 [0,2,0,0,0,0|2,0,0]=4 943 B9R1.69 FC1=CC(F)=C(I)C=C1 P45927 [0,2,0,0,0,0|1,0,0]=3 944 B9R1.69 FC1=CC(I)=CN=C1Cl N25826 [0,2,0,0,0,0|2,0,0]=4 945 B9R1.69 FC1=CC(S)=CC=C1Br S70896 [0,2,0,0,0,0|0,1,0]=3 946 B9R1.69 FC1=CC=C(Br)C(Br)=N1 Q69514 [0,2,0,0,0,0|2,0,0]=4 947 B9R1.69 FC1=CC=C(Br)N=C1Br Q66605 [0,2,0,0,0,0|2,0,0]=4 948 B9R1.69 FC1=CC=C(Br)N=C1Cl P49345 [0,2,0,0,0,0|2,0,0]=4 949 B9R1.69 FC1=CC=C(Br)N=C1F I-9712 [0,2,0,0,0,0|2,0,0]=4 950 B9R1.69 FC1=CC=C(Cl)C(Br)=N1 O32372 [0,2,0,0,0,0|2,0,0]=4 951 B9R1.69 FC1=CC=C(Cl)N=C1F Q62339 [0,2,0,0,0,0|2,0,0]=4 952 B9R1.69 FC1=CC=C(I)C(F)=N1 Q66955 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.69 FC1=CN=C(Br)C(Cl)=C1 O31601 [0,2,0,0,0,0|2,0,0]=4 954 B9R1.69 FC1=CN=C(Br)C=C1Br Q62235 [0,2,0,0,0,0|2,0,0]=4 955 B9R1.69 FC1=CN=C(Br)C=C1F Q62265 [0,2,0,0,0,0|2,0,0]=4 956 B9R1.69 FC1=CN=C(Cl)C(I)=C1 Q52557 [0,2,0,0,0,0|2,0,0]=4 957 B9R1.69 FC1=CN=C(Cl)C=C1Br N24647 [0,2,0,0,0,0|2,0,0]=4 958 B9R1.69 FC1=CN=C(Cl)C=C1I Q66428 [0,2,0,0,0,0|2,0,0]=4 959 B9R1.69 FC1=CN=C(F)C=C1Br H-8376 [0,2,0,0,0,0|2,0,0]=4 960 B9R1.69 FC1=CN=C(F)C=C1I H-8375 [0,2,0,0,0,0|2,0,0]=4 961 B9R1.69 FC1=NC(Br)=C(F)C=C1 Q62261 [0,2,0,0,0,0|2,0,0]=4 962 B9R1.69 FC1=NC=C(Br)C(Cl)=C1 Q62208 [0,2,0,0,0,0|2,0,0]=4 963 B9R1.69 FC1=NC=C(Br)C=C1I Q67832 [0,2,0,0,0,0|2,0,0]=4 964 B9R1.69 FC1=NC=C(Cl)C(I)=C1 Q67306 [0,2,0,0,0,0|2,0,0]=4 965 B9R1.69 FC1=NC=C(Cl)C=C1I N25917 [0,2,0,0,0,0|2,0,0]=4 966 B9R1.69 NC1=C(Br)C=C(O)C=N1 Q57213 [0,2,0,0,0,0|1,0,0]=3 967 B9R1.69 NC1=C(Br)C=CC(F)=N1 Q54707 [0,2,0,0,0,0|2,0,0]=4 968 B9R1.69 NC1=C(Cl)C=C(Cl)N=C1 O30787 [0,2,0,0,0,0|2,0,0]=4 969 B9R1.69 NC1=C(F)C=C(Cl)N=C1 L14317 [0,2,0,0,0,0|2,0,0]=4 970 B9R1.69 NC1=C(N)C=C(Br)N=C1 O31060 [0,2,0,0,0,0|2,0,0]=4 971 B9R1.69 NC1=C(N)C=C(Cl)N=C1 L14079 [0,2,0,0,0,0|2,0,0]=4 972 B9R1.69 NC1=C(N)N=C(O)C=C1 O32033 [0,2,0,0,0,0|1,0,0]=3 973 B9R1.69 NC1=C(N)N=CC(O)=C1 Q62415 [0,2,0,0,0,0|1,0,0]=3 974 B9R1.69 NC1=C(O)C=CC(Cl)=N1 F-4774 [0,2,0,0,0,0|1,0,0]=3 975 B9R1.69 NC1=C(O)C=NC(Cl)=C1 O29927 [0,2,0,0,0,0|1,0,0]=3 976 B9R1.69 NC1=C(S)C=C(Br)C=C1 A-873 [0,2,0,0,0,0|0,1,0]=3 977 B9R1.69 NC1=C(S)C=CC(Br)=C1 H-8776 [0,2,0,0,0,0|0,1,0]=3 978 B9R1.69 NC1=CC(Br)=CN=C1Br C-3310 [0,2,0,0,0,0|2,0,0]=4 979 B9R1.69 NC1=CC(Br)=CN=C1N G-7729 [0,2,0,0,0,0|2,0,0]=4 980 B9R1.69 NC1=CC(Br)=CNC1=O S72493 [0,2,0,0,0,0|1,0,1]=4 981 B9R1.69 NC1=CC(Br)=NC=C1Br Q53420 [0,2,0,0,0,0|2,0,0]=4 982 B9R1.69 NC1=CC(Br)=NC=C1F O33371 [0,2,0,0,0,0|2,0,0]=4 983 B9R1.69 NC1=CC(Cl)=C(Cl)N=C1 S72510 [0,2,0,0,0,0|2,0,0]=4 984 B9R1.69 NC1=CC(Cl)=CN=C1O S72513 [0,2,0,0,0,0|1,0,0]=3 985 B9R1.69 NC1=CC(Cl)=NC=C1Br Q51923 [0,2,0,0,0,0|2,0,0]=4 986 B9R1.69 NC1=CC(Cl)=NC=C1Cl L22332 [0,2,0,0,0,0|2,0,0]=4 987 B9R1.69 NC1=CC(Cl)=NC=C1F O30323 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.69 NC1=CC(Cl)=NC=C1I G-6822 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.69 NC1=CC(F)=C(F)C=N1 Q62280 [0,2,0,0,0,0|2,0,0]=4 990 B9R1.69 NC1=CC(F)=C(F)N=C1 Q63324 [0,2,0,0,0,0|2,0,0]=4 991 B9R1.69 NC1=CC(F)=CN=C1Br P43187 [0,2,0,0,0,0|2,0,0]=4 992 B9R1.69 NC1=CC(F)=CN=C1Cl O30622 [0,2,0,0,0,0|2,0,0]=4 993 B9R1.69 NC1=CC(F)=NC=C1Br G-7589 [0,2,0,0,0,0|2,0,0]=4 994 B9R1.69 NC1=CC(F)=NC=C1F P51571 [0,2,0,0,0,0|2,0,0]=4 995 B9R1.69 NC1=CC=C(Br)C(N)=N1 C-2939 [0,2,0,0,0,0|2,0,0]=4 996 B9R1.69 NC1=CC=C(Br)N=C1Cl Q68074 [0,2,0,0,0,0|2,0,0]=4 997 B9R1.69 NC1=CC=C(Br)N=C1F P44254 [0,2,0,0,0,0|2,0,0]=4 998 B9R1.69 NC1=CC=C(Br)N=C1N O34248 [0,2,0,0,0,0|2,0,0]=4 999 B9R1.69 NC1=CC=C(Cl)N=C1I 10576 [0,2,0,0,0,0|2,0,0]=4 1000 B9R1.69 NC1=CC=C(Cl)N=C1N G-6776 [0,2,0,0,0,0|2,0,0]=4 1001 B9R1.69 NC1=CC=C(I)C=C1Br Q67864 [0,2,0,0,0,0|1,0,0]=3 1002 B9R1.69 NC1=CN=C(Cl)C=C1O O31011 [0,2,0,0,0,0|1,0,0]=3 1003 B9R1.69 NC1=CN=C(F)C=C1Br Q63732 [0,2,0,0,0,0|2,0,0]=4 1004 B9R1.69 NC1=NC(Br)=C(Cl)C=C1 L14030 [0,2,0,0,0,0|2,0,0]=4 1005 B9R1.69 NC1=NC(Br)=C(F)C=C1 Q55819 [0,2,0,0,0,0|2,0,0]=4 1006 B9R1.69 NC1=NC(Br)=CC=C1F Q54985 [0,2,0,0,0,0|2,0,0]=4 1007 B9R1.69 NC1=NC(Br)=CC=C1O M15631 [0,2,0,0,0,0|1,0,0]=3 1008 B9R1.69 NC1=NC(Cl)=CC=C1Br O30393 [0,2,0,0,0,0|2,0,0]=4 1009 B9R1.69 NC1=NC(F)=C(Br)C=C1 S72748 [0,2,0,0,0,0|2,0,0]=4 1010 B9R1.69 NC1=NC(F)=CC=C1F S72737 [0,2,0,0,0,0|2,0,0]=4 1011 B9R1.69 NC1=NC=C(Br)C(Cl)=C1 C-3358 [0,2,0,0,0,0|2,0,0]=4 1012 B9R1.69 NC1=NC=C(Br)C(F)=C1 S72747 [0,2,0,0,0,0|2,0,0]=4 1013 B9R1.69 NC1=NC=C(Br)C=C1Cl N24326 [0,2,0,0,0,0|2,0,0]=4 1014 B9R1.69 NC1=NC=C(Br)C=C1O Q68195 [0,2,0,0,0,0|1,0,0]=3 1015 B9R1.69 NC1=NC=C(Cl)C(Cl)=C1 I-9122 [0,2,0,0,0,0|2,0,0]=4 1016 B9R1.69 NC1=NC=C(F)C(I)=C1 L13989 [0,2,0,0,0,0|2,0,0]=4 1017 B9R1.69 NC1=NC=C(I)C=C1Br L13992 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.69 O=C1C=C(Br)C(F)=CN1 Q55599 [0,2,0,0,0,0|1,0,1]=4 1019 B9R1.69 O=C1C=C(I)C(Cl)=CN1 Q62365 [0,2,0,0,0,0|1,0,1]=4 1020 B9R1.69 OC1=C(Br)C=CC(Br)=C1 N24223 [0,2,0,0,0,0|0,0,0]=2 1021 B9R1.69 OC1=C(Br)N=C(F)C=C1 N24587 [0,2,0,0,0,0|1,0,0]=3 1022 B9R1.69 OC1=C(Cl)N=C(Cl)N=C1 L22025 [0,2,0,0,0,0|2,0,0]=4 1023 B9R1.69 OC1=C(F)C=CC(I)=C1 N25346 [0,2,0,0,0,0|0,0,0]=2 1024 B9R1.69 OC1=C(I)C=C(Cl)N=C1 O29892 [0,2,0,0,0,0|1,0,0]=3 1025 B9R1.69 OC1=CC(Br)=C(Cl)N=C1 O30511 [0,2,0,0,0,0|1,0,0]=3 1026 B9R1.69 OC1=CC(Br)=CN=C1Br Q68194 [0,2,0,0,0,0|1,0,0]=3 1027 B9R1.69 OC1=CC(Br)=CN=C1Cl L22288 [0,2,0,0,0,0|1,0,0]=3 1028 B9R1.69 OC1=CC(Br)=CN=C1F O30819 [0,2,0,0,0,0|1,0,0]=3 1029 B9R1.69 OC1=CC(Br)=CN=C1I M15614 [0,2,0,0,0,0|1,0,0]=3 1030 B9R1.69 OC1=CC(Br)=NC=C1Br N25525 [0,2,0,0,0,0|1,0,0]=3 1031 B9R1.69 OC1=CC(Br)=NC=C1Cl O31584 [0,2,0,0,0,0|1,0,0]=3 1032 B9R1.69 OC1=CC(Br)=NC=C1F O31586 [0,2,0,0,0,0|1,0,0]=3 1033 B9R1.69 OC1=CC(Cl)=CN=C1F N24707 [0,2,0,0,0,0|1,0,0]=3 1034 B9R1.69 OC1=CC(Cl)=NC=C1Br N25103 [0,2,0,0,0,0|1,0,0]=3 1035 B9R1.69 OC1=CC(Cl)=NC=C1Cl N24559 [0,2,0,0,0,0|1,0,0]=3 1036 B9R1.69 OC1=CC(Cl)=NC=C1F N24859 [0,2,0,0,0,0|1,0,0]=3 1037 B9R1.69 OC1=CC(Cl)=NC=C1I G-6995 [0,2,0,0,0,0|1,0,0]=3 1038 B9R1.69 OC1=CC(F)=C(Br)N=C1 O29421 [0,2,0,0,0,0|1,0,0]=3 1039 B9R1.69 OC1=CC(F)=C(Cl)N=C1 O30557 [0,2,0,0,0,0|1,0,0]=3 1040 B9R1.69 OC1=CC(F)=CN=C1Br O29384 [0,2,0,0,0,0|1,0,0]=3 1041 B9R1.69 OC1=CC(I)=CC=C1Br N25131 [0,2,0,0,0,0|0,0,0]=2 1042 B9R1.69 OC1=CC=C(Br)N=C1F N25599 [0,2,0,0,0,0|1,0,0]=3 1043 B9R1.69 OC1=CC=C(Cl)N=C1Br N24391 [0,2,0,0,0,0|1,0,0]=3 1044 B9R1.69 OC1=CC=C(Cl)N=C1Cl N24880 [0,2,0,0,0,0|1,0,0]=3 1045 B9R1.69 OC1=CC=C(Cl)N=C1I Q68391 [0,2,0,0,0,0|1,0,0]=3 1046 B9R1.69 OC1=CC=C(F)C(I)=C1 O29325 [0,2,0,0,0,0|0,0,0]=2 1047 B9R1.69 OC1=CC=C(F)N=C1F N24467 [0,2,0,0,0,0|1,0,0]=3 1048 B9R1.69 OC1=CC=C(I)N=C1Br Q67214 [0,2,0,0,0,0|1,0,0]=3 1049 B9R1.69 OC1=CC=C(I)N=C1Cl N24146 [0,2,0,0,0,0|1,0,0]=3 1050 B9R1.69 OC1=CC=C(O)C(S)=C1 O31512 [0,2,0,0,0,0|0,0,0]=2 1051 B9R1.69 OC1=CN=C(Br)C(I)=C1 Q52283 [0,2,0,0,0,0|1,0,0]=3 1052 B9R1.69 OC1=CN=C(Cl)C(Cl)=C1 N24325 [0,2,0,0,0,0|1,0,0]=3 1053 B9R1.69 OC1=CN=C(F)C(Br)=C1 Q52499 [0,2,0,0,0,0|1,0,0]=3 1054 B9R1.69 OC1=CN=C(F)C(Cl)=C1 N24740 [0,2,0,0,0,0|1,0,0]=3 1055 B9R1.69 OC1=CN=C(F)C=C1Br Q67496 [0,2,0,0,0,0|1,0,0]=3 1056 B9R1.69 OC1=CN=C(F)C=C1I N27774 [0,2,0,0,0,0|1,0,0]=3 1057 B9R1.69 OC1=NC(Cl)=C(Br)N=C1 Q63647 [0,2,0,0,0,0|2,0,0]=4 1058 B9R1.69 OC1=NC=C(F)C=C1Br O30789 [0,2,0,0,0,0|1,0,0]=3 1059 B9R1.69 [O-][N+]1=CC(Br)=CC=C1Cl O32545 [0,2,0,0,0,0|1,0,1]=4 1060 B9R1.3 BrC1=CC=CC(Br)=C1Br N25248 [0,2,0,0,0,0|1,0,0]=3 1061 B9R1.3 BrC1=CN=CC(Br)=C1Br Q66738 [0,2,0,0,0,0|2,0,0]=4 1062 B9R1.3 BrC1=CN=CC(Br)=C1I Q67392 [0,2,0,0,0,0|2,0,0]=4 1063 B9R1.3 CC1=C(Br)C(Cl)=NC=C1 G-5637 [0,2,0,0,0,0|2,0,0]=4 1064 B9R1.3 CC1=C(Br)C(F)=NC=C1 N24313 [0,2,0,0,0,0|2,0,0]=4 1065 B9R1.3 CC1=C(Br)C(O)=NC=C1 N24633 [0,2,0,0,0,0|1,0,0]=3 1066 B9R1.3 CC1=C(Br)C=CC=C1O D-2571 [0,2,0,0,0,0|0,0,0]=2 1067 B9R1.3 CC1=C(Br)C=CN=C1Br O31223 [0,2,0,0,0,0|2,0,0]=4 1068 B9R1.3 CC1=C(Br)C=CN=C1F N25338 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.3 CC1=C(Br)C=CN=C1N Q62420 [0,2,0,0,0,0|2,0,0]=4 1070 B9R1.3 CC1=C(Br)C=CNC1=O L21910 [0,2,0,0,0,0|1,0,1]=4 1071 B9R1.3 CC1=C(Br)C=NC=C1Cl Q67578 [0,2,0,0,0,0|2,0,0]=4 1072 B9R1.3 CC1=C(Br)C=NC=C1N N25418 [0,2,0,0,0,0|2,0,0]=4 1073 B9R1.3 CC1=C(C)C(Br)=CN=C1 N24976 [0,2,0,0,0,0|2,0,0]=4 1074 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 N24875 [0,2,0,0,0,0|2,0,0]=4 1075 B9R1.3 CC1=C(Cl)C(Cl)=NC=C1 O31102 [0,2,0,0,0,0|2,0,0]=4 1076 B9R1.3 CC1=C(Cl)C(F)=NC=C1 Q68534 [0,2,0,0,0,0|2,0,0]=4 1077 B9R1.3 CC1=C(Cl)C=CN=C1Br O33512 [0,2,0,0,0,0|2,0,0]=4 1078 B9R1.3 CC1=C(Cl)C=NC=C1Cl O29233 [0,2,0,0,0,0|2,0,0]=4 1079 B9R1.3 CC1=C(F)C(Cl)=NC=C1 Q67344 [0,2,0,0,0,0|2,0,0]=4 1080 B9R1.3 CC1=C(F)C(O)=CC=C1 Q67116 [0,2,0,0,0,0|0,0,0]=2 1081 B9R1.3 CC1=C(F)C=CN=C1Cl N26307 [0,2,0,0,0,0|2,0,0]=4 1082 B9R1.3 CC1=C(F)C=NC=C1Br N25538 [0,2,0,0,0,0|2,0,0]=4 1083 B9R1.3 CC1=C(I)C(F)=NC=C1 N27044 [0,2,0,0,0,0|2,0,0]=4 1084 B9R1.3 CC1=C(I)C=CN=C1Cl Q66674 [0,2,0,0,0,0|2,0,0]=4 1085 B9R1.3 CC1=C(I)C=CN=C1F N24657 [0,2,0,0,0,0|2,0,0]=4 1086 B9R1.3 CC1=C(I)C=CNC1=O N25607 [0,2,0,0,0,0|1,0,1]=4 1087 B9R1.3 CC1=C(I)C=NC=C1Br N25560 [0,2,0,0,0,0|2,0,0]=4 1088 B9R1.3 CC1=C(I)C=NC=C1I Q68666 [0,2,0,0,0,0|2,0,0]=4 1089 B9R1.3 CC1=C(N)C(N)=NC=C1 G-5516 [0,2,0,0,0,0|2,0,0]=4 1090 B9R1.3 CC1=C(N)C=CN=C1Cl O30198 [0,2,0,0,0,0|2,0,0]=4 1091 B9R1.3 CC1=C(O)C(Br)=CC=C1 Q67176 [0,2,0,0,0,0|0,0,0]=2 1092 B9R1.3 CC1=C(O)C(F)=NC=C1 N27712 [0,2,0,0,0,0|1,0,0]=3 1093 B9R1.3 CC1=C(O)C=NC=C1Br Q67672 [0,2,0,0,0,0|1,0,0]=3 1094 B9R1.3 CC1=CN=CC(Br)=C1N F-4061 [0,2,0,0,0,0|2,0,0]=4 1095 B9R1.3 CC1=CN=CC(C)=C1Br O31630 [0,2,0,0,0,0|2,0,0]=4 1096 B9R1.3 CC1=CN=CC(C)=C1N O31183 [0,2,0,0,0,0|2,0,0]=4 1097 B9R1.3 CC1=CN=CC(O)=C1Br Q62316 [0,2,0,0,0,0|1,0,0]=3 1098 B9R1.3 CC1=NC=CC(Br)=C1Cl Q53251 [0,2,0,0,0,0|2,0,0]=4 1099 B9R1.3 CC1=NC=CC(Br)=C1N O30398 [0,2,0,0,0,0|2,0,0]=4 1100 B9R1.3 CC1=NC=CC(F)=C1Br Q62209 [0,2,0,0,0,0|2,0,0]=4 1101 B9R1.3 CC1=NC=CC(N)=C1Br Q62210 [0,2,0,0,0,0|2,0,0]=4 1102 B9R1.3 CC1=NC=CC(N)=C1Cl S72517 [0,2,0,0,0,0|2,0,0]=4 1103 B9R1.3 CN1C=CC=C(Br)C1=O L22422 [0,2,0,0,0,0|1,0,1]=4 1104 B9R1.3 CN1C=CC=C(N)C1=O C-2273 [0,2,0,0,0,0|1,0,1]=4 1105 B9R1.3 CN1C=CC=C(N)C1=O L13547 [0,2,0,0,0,0|1,0,1]=4 1106 B9R1.3 ClC1=C(Br)C(Br)=CC=C1 N24120 [0,2,0,0,0,0|1,0,0]=3 1107 B9R1.3 ClC1=C(Br)C=NC=C1Br G-7891 [0,2,0,0,0,0|2,0,0]=4 1108 B9R1.3 ClC1=C(I)C(Br)=CC=C1 Q67428 [0,2,0,0,0,0|1,0,0]=3 1109 B9R1.3 ClC1=CN=CC(Cl)=C1I O29234 [0,2,0,0,0,0|2,0,0]=4 1110 B9R1.3 ClC1=NC=CC(Br)=C1I Q66628 [0,2,0,0,0,0|2,0,0]=4 1111 B9R1.3 ClC1=NC=CC(Cl)=C1Br Q67606 [0,2,0,0,0,0|2,0,0]=4 1112 B9R1.3 ClC1=NC=CC(Cl)=C1Cl N24692 [0,2,0,0,0,0|2,0,0]=4 1113 B9R1.3 ClC1=NC=CC(Cl)=C1I Q66870 [0,2,0,0,0,0|2,0,0]=4 1114 B9R1.3 ClC1=NC=CC(I)=C1Br N24975 [0,2,0,0,0,0|2,0,0]=4 1115 B9R1.3 ClC1=NC=CC(I)=C1Cl Q67118 [0,2,0,0,0,0|2,0,0]=4 1116 B9R1.3 FC1=C(Br)C(Br)=CC=C1 Q66685 [0,2,0,0,0,0|1,0,0]=3 1117 B9R1.3 FC1=C(Br)C=CN=C1Cl N26012 [0,2,0,0,0,0|2,0,0]=4 1118 B9R1.3 FC1=C(Cl)C=CN=C1Cl N25925 [0,2,0,0,0,0|2,0,0]=4 1119 B9R1.3 FC1=C(F)C(Cl)=CC=C1 Q68064 [0,2,0,0,0,0|1,0,0]=3 1120 B9R1.3 FC1=C(F)C(Cl)=CC=N1 F-4042 [0,2,0,0,0,0|2,0,0]=4 1121 B9R1.3 FC1=C(F)C(I)=CC=N1 F-4111 [0,2,0,0,0,0|2,0,0]=4 1122 B9R1.3 FC1=C(I)C(Br)=CC=C1 Q67438 [0,2,0,0,0,0|1,0,0]=3 1123 B9R1.3 FC1=C(I)C(Cl)=CC=C1 Q67599 [0,2,0,0,0,0|1,0,0]=3 1124 B9R1.3 FC1=C(I)C(Cl)=NC=C1 N25576 [0,2,0,0,0,0|2,0,0]=4 1125 B9R1.3 FC1=C(I)C=CN=C1Cl Q66676 [0,2,0,0,0,0|2,0,0]=4 1126 B9R1.3 FC1=CC=CC(I)=C1Br N25230 [0,2,0,0,0,0|1,0,0]=3 1127 B9R1.3 FC1=CN=CC(Br)=C1Cl N25534 [0,2,0,0,0,0|2,0,0]=4 1128 B9R1.3 FC1=CN=CC(F)=C1Br O30371 [0,2,0,0,0,0|2,0,0]=4 1129 B9R1.3 FC1=CN=CC(F)=C1Cl L21746 [0,2,0,0,0,0|2,0,0]=4 1130 B9R1.3 FC1=CN=CC(F)=C1F Q53719 [0,2,0,0,0,0|2,0,0]=4 1131 B9R1.3 FC1=NC=CC(I)=C1Br Q61061 [0,2,0,0,0,0|2,0,0]=4 1132 B9R1.3 FC1=NC=CC(I)=C1Cl Q67005 [0,2,0,0,0,0|2,0,0]=4 1133 B9R1.3 NC1=C(Br)C(Cl)=NC=C1 G-7872 [0,2,0,0,0,0|2,0,0]=4 1134 B9R1.3 NC1=C(Br)C(F)=NC=C1 G-7771 [0,2,0,0,0,0|2,0,0]=4 1135 B9R1.3 NC1=C(Br)C(O)=CC=C1 L13005 [0,2,0,0,0,0|0,0,0]=2 1136 B9R1.3 NC1=C(Br)C=NC=C1Br I-9321 [0,2,0,0,0,0|2,0,0]=4 1137 B9R1.3 NC1=C(Br)C=NC=C1F O31575 [0,2,0,0,0,0|2,0,0]=4 1138 B9R1.3 NC1=C(Cl)C=CC=C1O P37351 [0,2,0,0,0,0|0,0,0]=2 1139 B9R1.3 NC1=C(F)C(=O)NC=C1 Q54920 [0,2,0,0,0,0|1,0,1]=4 1140 B9R1.3 NC1=C(F)C(Cl)=NC=C1 P43492 [0,2,0,0,0,0|2,0,0]=4 1141 B9R1.3 NC1=C(F)C=NC=C1F O32551 [0,2,0,0,0,0|2,0,0]=4 1142 B9R1.3 NC1=C(I)C(Cl)=NC=C1 I-9275 [0,2,0,0,0,0|2,0,0]=4 1143 B9R1.3 NC1=C(I)C(O)=CC=C1 O29406 [0,2,0,0,0,0|0,0,0]=2 1144 B9R1.3 NC1=C(I)C=NC=C1I O30811 [0,2,0,0,0,0|2,0,0]=4 1145 B9R1.3 NC1=C(N)C(Br)=CC=C1 H-8932 [0,2,0,0,0,0|1,0,0]=3 1146 B9R1.3 NC1=C(N)C(Br)=NC=C1 O31644 [0,2,0,0,0,0|2,0,0]=4 1147 B9R1.3 NC1=C(N)C(Cl)=NC=C1 C-2364 [0,2,0,0,0,0|2,0,0]=4 1148 B9R1.3 NC1=C(N)C(O)=NC=C1 Q52368 [0,2,0,0,0,0|1,0,0]=3 1149 B9R1.3 NC1=C(O)C(Cl)=NC=N1 Q52848 [0,2,0,0,0,0|2,0,0]=4 1150 B9R1.3 NC1=C(O)C=CC=C1Br 10640 [0,2,0,0,0,0|0,0,0]=2 1151 B9R1.3 NC1=CC=CC(Cl)=C1I 10780 [0,2,0,0,0,0|1,0,0]=3 1152 B9R1.3 NC1=CC=CC(F)=C1N O31166 [0,2,0,0,0,0|1,0,0]=3 1153 B9R1.3 NC1=CN=CC(Cl)=C1N F-4221 [0,2,0,0,0,0|2,0,0]=4 1154 B9R1.3 NC1=NC=CC(Br)=C1N I-9465 [0,2,0,0,0,0|2,0,0]=4 1155 B9R1.3 NC1=NC=CC(Br)=C1O Q62409 [0,2,0,0,0,0|1,0,0]=3 1156 B9R1.3 NC1=NC=CC(Cl)=C1Cl I-9089 [0,2,0,0,0,0|2,0,0]=4 1157 B9R1.3 NC1=NC=CC(Cl)=C1N C-2327 [0,2,0,0,0,0|2,0,0]=4 1158 B9R1.3 NC1=NC=CC(Cl)=C1O H-8857 [0,2,0,0,0,0|1,0,0]=3 1159 B9R1.3 NC1=NC=CC(F)=C1O Q62440 [0,2,0,0,0,0|1,0,0]=3 1160 B9R1.3 O=C1C(O)=CNC=C1F L21861 [0,2,0,0,0,0|1,0,0]=3 1161 B9R1.3 OC1=C(Br)C(Cl)=NC=C1 N25286 [0,2,0,0,0,0|1,0,0]=3 1162 B9R1.3 OC1=C(Br)C=CN=C1Cl N26074 [0,2,0,0,0,0|1,0,0]=3 1163 B9R1.3 OC1=C(Br)C=NC=C1Br P39297 [0,2,0,0,0,0|1,0,0]=3 1164 B9R1.3 OC1=C(Cl)C(Cl)=NC=C1 N24445 [0,2,0,0,0,0|1,0,0]=3 1165 B9R1.3 OC1=C(Cl)C(F)=NC=C1 Q68533 [0,2,0,0,0,0|1,0,0]=3 1166 B9R1.3 OC1=C(Cl)C=CC=C1Br N25029 [0,2,0,0,0,0|0,0,0]=2 1167 B9R1.3 OC1=C(F)C(Br)=NC=C1 O30736 [0,2,0,0,0,0|1,0,0]=3 1168 B9R1.3 OC1=C(F)C(Cl)=NC=C1 O30504 [0,2,0,0,0,0|1,0,0]=3 1169 B9R1.3 OC1=C(F)C(F)=NC=C1 O30199 [0,2,0,0,0,0|1,0,0]=3 1170 B9R1.3 OC1=C(I)C=CC=C1Cl Q68127 [0,2,0,0,0,0|0,0,0]=2 1171 B9R1.3 OC1=C(I)C=CN=C1I G-6976 [0,2,0,0,0,0|1,0,0]=3 1172 B9R1.3 OC1=C(I)C=NC=C1Br L19505 [0,2,0,0,0,0|1,0,0]=3 1173 B9R1.3 OC1=C(I)C=NC=C1I Q68758 [0,2,0,0,0,0|1,0,0]=3 1174 B9R1.3 OC1=CC=CC(Br)=C1F Q67526 [0,2,0,0,0,0|0,0,0]=2 1175 B9R1.3 OC1=CC=CC(Cl)=C1I Q67303 [0,2,0,0,0,0|0,0,0]=2 1176 B9R1.3 OC1=CC=CC(F)=C1Br Q68018 [0,2,0,0,0,0|0,0,0]=2 1177 B9R1.3 OC1=CC=CC(F)=C1Cl G-7116 [0,2,0,0,0,0|0,0,0]=2 1178 B9R1.3 OC1=CC=CC(F)=C1I O29884 [0,2,0,0,0,0|0,0,0]=2 1179 B9R1.3 OC1=NC=NC(Cl)=C1I Q58652 [0,2,0,0,0,0|2,0,0]=4 1180 B9R1.3 [O-][N+]1=C(Cl)C=CC=C1Cl Q68085 [0,2,0,0,0,0|1,0,1]=4 1181 B9R1.34 BrC1=CC(I)=CC(Br)=N1 Q69364 [0,2,0,0,0,0|2,0,0]=4 1182 B9R1.34 CC1=CC(=O)NC(O)=C1 C-2468 [0,2,0,0,0,0|1,0,0]=3 1183 B9R1.34 CC1=CC(Br)=CC(=O)O1 Q61435 [0,2,0,0,0,0|1,0,1]=4 1184 B9R1.34 CC1=CC(Br)=CC(C)=N1 O31958 [0,2,0,0,0,0|2,0,0]=4 1185 B9R1.34 CC1=CC(Br)=CC(N)=C1 S70887 [0,2,0,0,0,0|1,0,0]=3 1186 B9R1.34 CC1=CC(Br)=CC(O)=C1 Q67484 [0,2,0,0,0,0|0,0,0]=2 1187 B9R1.34 CC1=CC(Br)=NC(N)=C1 A-695 [0,2,0,0,0,0|2,0,0]=4 1188 B9R1.34 CC1=CC(Cl)=CC(C)=N1 P38625 [0,2,0,0,0,0|2,0,0]=4 1189 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 C-2285 [0,2,0,0,0,0|2,0,0]=4 1190 B9R1.34 CC1=CC(F)=CC(O)=C1 Q67674 [0,2,0,0,0,0|0,0,0]=2 1191 B9R1.34 CC1=CC(N)=CC(Br)=N1 O30531 [0,2,0,0,0,0|2,0,0]=4 1192 B9R1.34 CC1=CC(N)=NC(Cl)=C1 O31107 [0,2,0,0,0,0|2,0,0]=4 1193 B9R1.34 CC1=NC(Cl)=CC(Br)=C1 L21884 [0,2,0,0,0,0|2,0,0]=4 1194 B9R1.34 CC1=NC(Cl)=CC(N)=C1 L22414 [0,2,0,0,0,0|2,0,0]=4 1195 B9R1.34 CC1=NC(N)=CC(Br)=C1 P45515 [0,2,0,0,0,0|2,0,0]=4 1196 B9R1.34 ClC1=CC(Br)=CC(Cl)=N1 S72512 [0,2,0,0,0,0|2,0,0]=4 1197 B9R1.34 ClC1=CC(Br)=CC(I)=C1 Q68107 [0,2,0,0,0,0|1,0,0]=3 1198 B9R1.34 ClC1=CC(Cl)=NC(Cl)=C1 G-6630 [0,2,0,0,0,0|2,0,0]=4 1199 B9R1.34 FC1=CC(Br)=CC(F)=N1 Q62348 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.34 FC1=CC(Br)=CC(I)=C1 Q67990 [0,2,0,0,0,0|1,0,0]=3 1201 B9R1.34 FC1=CC(F)=NC(F)=C1 Q51855 [0,2,0,0,0,0|2,0,0]=4 1202 B9R1.34 FC1=CC(I)=CC(F)=N1 Q66956 [0,2,0,0,0,0|2,0,0]=4 1203 B9R1.34 NC1=CC(=O)NC(F)=C1 L21809 [0,2,0,0,0,0|1,0,1]=4 1204 B9R1.34 NC1=CC(Br)=NC(Br)=C1 O30854 [0,2,0,0,0,0|2,0,0]=4 1205 B9R1.34 NC1=CC(F)=CC(Br)=N1 Q62330 [0,2,0,0,0,0|2,0,0]=4 1206 B9R1.34 NC1=CC(F)=NC(F)=C1 L22378 [0,2,0,0,0,0|2,0,0]=4 1207 B9R1.34 NC1=CC(O)=CC(Br)=C1 P43543 [0,2,0,0,0,0|0,0,0]=2 1208 B9R1.34 NC1=CC(O)=NC(Cl)=N1 O34393 [0,2,0,0,0,0|2,0,0]=4 1209 B9R1.34 NC1=NC(Br)=CC(Br)=C1 Q52449 [0,2,0,0,0,0|2,0,0]=4 1210 B9R1.34 NC1=NC(Cl)=CC(Br)=C1 L14624 [0,2,0,0,0,0|2,0,0]=4 1211 B9R1.34 OC1=CC(Br)=NC(Br)=C1 O30879 [0,2,0,0,0,0|1,0,0]=3 1212 B9R1.34 OC1=CC(Cl)=NC(Cl)=C1 Q68017 [0,2,0,0,0,0|1,0,0]=3 1213 B9R1.34 OC1=CC(O)=CC(Br)=C1 Q68227 [0,2,0,0,0,0|0,0,0]=2 1214 B9R1.34 OC1=CC(O)=CC(F)=C1 N25602 [0,2,0,0,0,0|0,0,0]=2 1215 B5R1.1 C1=COC=N1 G-5929 [1,0,0,0,1,0|2,0,0]=4