0 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 CC(=O)C1=CN=CN=C1 G-5167 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CC(=O)C1=NC=CC=N1 G-6326 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 CC(N)C1=CC=NC=N1 Q51822 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.6 CC(N)C1=NC=CC=N1 Q55479 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 C[C@@H](N)C1=NC=CC=N1 Q57196 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q57195 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q65669 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 NC(=O)C1=NC=NC=C1 P51213 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.6 O=S([O-])C1=CC=CN=C1 O32481 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 O=S([O-])C1=CC=NC=C1 Q69553 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 O=S([O-])C1=NC=CC=C1 O32707 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 OB(O)C1=NC=NC=C1 H-8023 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.2 BrCC1=NC=NC=C1 P51553 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.2 C#CC1=NC=CN=C1 O31505 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.2 C#CC1=NN=CC=C1 G-5224 [1,0,0,0,0,0|1,0,2]=4 32 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.2 C(=O)C1=CN=CN=C1 A-903 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 C(=O)C1=NC=CC=N1 C-2221 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.2 C(=O)C1=NN=CC=C1 C-2223 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 C=CC1=CC=CN=C1 O30687 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.2 CNC1=CC=NC=N1 Q58573 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 CNC1=NN=CC=C1 O29994 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 ClCC1=CC=CN=N1 C-2225 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.2 ClCC1=CN=CC=N1 C-2219 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 ClCC1=NC=CC=N1 C-2222 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 ClCC1=NC=CN=C1 L14125 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.2 ICC1=CC=CC=C1 P37031 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 N#CC1=NN=CC=C1 F-4404 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 NCC1=CC=CN=N1 L21914 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 NCC1=CC=NC=N1 C-2474 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 NCC1=CC=NC=N1 L13752 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 NCC1=NC=CC=N1 C-3224 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 NCC1=NC=CC=N1 C-3224-1 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 NCC1=NC=CN=C1 C-3223 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.2 NCC1=NN=CC=C1 C-2473 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.2 NNC1=NC=CN=C1 C-2269 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 NNC1=NC=NC=C1 O34192 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 NNC1=NN=CC=C1 O30576 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 OCC1=CC=CN=N1 C-2224 [1,0,0,0,0,0|1,0,2]=4 57 B8R1.2 OCC1=CC=NC=N1 C-2228 [1,0,0,0,0,0|1,0,2]=4 58 B8R1.2 OCC1=CN=CC=N1 C-2217 [1,0,0,0,0,0|1,0,2]=4 59 B8R1.2 OCC1=NC=CC=N1 C-2220 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.13 CC(=O)C1=CC=C(F)N=C1 P35858 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 Q67245 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 CC(=O)C1=CN=C(C)N=C1 H-8030 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 Q54991 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.13 CC(=O)C1=CN=C(N)C=C1 Q55451 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [0,1,0,0,0,0|0,0,0]=1 67 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 G-7164 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [0,1,0,0,0,0|0,0,0]=1 69 B10R1.13 CC(=O)C1=NC=C(C)C=N1 O31005 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [0,1,0,0,0,0|0,0,0]=1 72 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 O30416 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [0,1,0,0,0,0|0,0,0]=1 74 B10R1.13 CC(=O)C1=NC=C(F)C=N1 O30210 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 L13130 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.13 CC(=O)C1=NN=C(O)C=C1 P51623 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 P51612 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 M23061 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 CC(C)C1=NC=C(Br)C=N1 L21812 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 CC(C)C1=NC=C(N)C=C1 G-7522 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.13 CC(C)C1=NN=C(Br)C=C1 P51559 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 P36954 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.13 CC(N)C1=NC=C(Br)C=N1 Q58772 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.13 CC(N)C1=NC=C(F)C=C1 C-3369 [0,1,0,0,0,0|1,0,1]=3 85 B10R1.13 CC(N)C1=NC=C(F)C=N1 L14507 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.13 CC(N)C1=NC=C(F)C=N1 P51601 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.13 CC(O)C1=CC=C(N)C=C1 P41199 [0,1,0,0,0,0|1,0,2]=4 88 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [0,1,0,0,0,0|1,0,2]=4 89 B10R1.13 CC(O)C1=NC=C(F)C=N1 P51653 [0,1,0,0,0,0|1,0,2]=4 90 B10R1.13 CC1=CC=C(C(C)Br)C=C1 M23020 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.13 CC1=CN=C(C(=N)N)N=C1 Q51997 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.13 CC1=CN=C(C(=O)O)C=N1 G-7280 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.13 CC1=CN=C(C(=O)O)N=C1 G-6321 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.13 CN(C)C1=NC=C(Br)C=C1 P39265 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 CN(C)C1=NC=C(Cl)N=C1 O29544 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.13 CN(C)C1=NC=C(I)C=C1 N26187 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.13 CN(C)C1=NC=C(N)C=C1 I-9568 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 CN(C)C1=NC=C(N)C=N1 Q58617 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.13 C[C@@H](O)C1=NC=C(Br)C=C1 Q62335 [0,1,0,0,0,0|0,0,2]=3 100 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 O32464 [0,1,0,0,0,0|1,0,1]=3 101 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 O32601 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Q55738 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Q62334 [0,1,0,0,0,0|0,0,2]=3 104 B10R1.13 N=C(N)C1=CC=C(N)C=N1 Q58199 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 N=C(N)C1=NC=C(Br)C=C1 Q52329 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 G-5717 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.13 N=C(N)C1=NC=C(F)C=C1 C-2886 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.13 NC(=O)C1=CC=C(Br)N=C1 P35365 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 NC(=O)C1=CC=C(F)N=C1 Q58490 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 O30890 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 N24759 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.13 NC(=O)C1=NC=C(N)C=C1 O30308 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 O31863 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 NC(=O)C1=NN=C(N)C=C1 G-7026 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 NC1=CN=C(C(=O)O)C=C1 E-3036 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.13 NC1=CN=C(C(=O)O)C=N1 10608 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.13 NC1=CN=C(C(=O)O)N=C1 O33536 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.13 NC1=NN=C(C(=O)O)C=C1 G-5218 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.13 O=C(Cl)C1=NC=C(Cl)C=C1 N25108 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 G-6770 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 Q52548 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 G-7253 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 B-1219 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.13 O=C(O)C1=NC=C(F)C=C1 P42746 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.13 O=C(O)C1=NC=C(F)C=N1 H-8066 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 L14250 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 B-1753 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 10648 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.13 O=[N+]([O-])C1=NC=C(F)C=C1 O30344 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.13 OB(O)C1=NC=C(Br)C=C1 Q53805 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.13 OB(O)C1=NC=C(F)C=C1 O33560 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.15 C#CC(=O)C1=CC=CC=C1 P38531 [0,1,0,0,0,0|1,0,1]=3 138 B10R1.15 C=CC(=O)C1=CC=CC=N1 Q52779 [0,1,0,0,0,0|0,0,1]=2 139 B10R1.15 C=CC(=O)C1=CC=CN=C1 Q52778 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.15 C=CC(=O)C1=CC=NC=C1 Q52777 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [0,1,0,0,0,0|0,0,0]=1 144 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.15 CCC(N)C1=NC=CN=C1 L13036 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.15 COC(=O)C1=CC=CN=N1 C-2267 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.15 COC(=O)C1=CC=NC=N1 C-2227 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.15 COC(=O)C1=CN=CN=C1 G-7535 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.15 COC(=O)C1=NC=CC=N1 C-3283 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.15 NCC(O)C1=NC=CC=C1 P35259 [0,1,0,0,0,0|0,0,2]=3 156 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [0,1,0,0,0,0|1,0,2]=4 157 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [0,1,0,0,0,0|1,0,2]=4 158 B10R1.15 NNC(=O)C1=NC=NC=C1 O30565 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.15 O=C(CBr)C1=CC=CC=N1 Q58258 [0,1,0,0,0,0|0,0,0]=1 160 B10R1.15 O=C(CBr)C1=CC=CN=C1 Q55443 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.15 O=C(CBr)C1=CN=CN=C1 Q54899 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.15 O=C(CBr)C1=NC=CC=N1 L22105 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.15 O=C(CBr)C1=NC=CC=N1 Q52568 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.15 O=C(CBr)C1=NC=NC=C1 P51516 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.15 O=C(CCl)C1=CC=CN=C1 O29841 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.15 O=C(CCl)C1=NC=CN=C1 L19661 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32487 [0,1,0,0,0,0|1,0,1]=3 168 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32488 [0,1,0,0,0,0|1,0,1]=3 169 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32489 [0,1,0,0,0,0|1,0,1]=3 170 B10R1.28 CC(C)(O)C1=NC=CC=C1 M15802 [0,1,0,0,0,0|0,0,2]=3 171 B10R1.28 NP(N)(=O)C1=CC=CC=C1 L19832 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.28 NS(=O)(=O)C1=NC=CC=C1 C-3246 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.28 NS(=O)(=O)C1=NC=CC=N1 Q58544 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.28 O=S(=O)(Cl)C1=NC=CC=C1 P45341 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.28 O=S(=O)(F)C1=NC=CC=C1 P51550 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 G-7564 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Q54381 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.61 CC(=O)C1=CC=CN=C1Br F-4747 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.61 CC(=O)C1=CC=CN=C1C Q52526 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.61 CC(=O)C1=CC=CN=C1F O30900 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.61 CC(=O)C1=CC=CN=C1N Q52860 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.61 CC(=O)C1=CN=CN=C1C Q58769 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.61 CC(=O)C1=NC=CC=C1Cl G-7206 [0,1,0,0,0,0|0,0,0]=1 184 B10R1.61 CC(=O)C1=NC=CC=C1F O30529 [0,1,0,0,0,0|0,0,0]=1 185 B10R1.61 CC(=O)C1=NC=CC=C1O P41694 [0,1,0,0,0,0|0,0,0]=1 186 B10R1.61 CC(=O)C1=NC=CN=C1Cl G-7946 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.61 CC(Br)C1=CC=CC=C1F O31043 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.61 CC(C)C1=NC=CN=C1N K12340 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.61 CC(C)C1=NC=NC=C1N Q69561 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.61 CC(Cl)C1=CC=CC=C1Cl P40025 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.61 CC(N)C1=CC=CC=C1Br O34378 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.61 CC(N)C1=CC=CC=C1Cl P38305 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.61 CC(N)C1=CC=CC=C1F P36297 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.61 CC(N)C1=CC=CC=C1N P38310 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.61 CC1=C(C(=O)O)C=CN=C1 Q56301 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.61 CC1=C(C(=O)O)N=NC=C1 L13035 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.61 CC1=CC=CC=C1C(C)N P38147 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] G-6919 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.61 CC1=CC=NC=C1C(=O)O G-5539 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.61 CC1=CN=CN=C1C(=O)O O33331 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.61 CC1=NC=CC=C1C(=O)O E-3023 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 CC1=NC=CN=C1C(=O)O G-5660 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.61 CN(C)C1=CC=CC=C1O P38469 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 CN(C)C1=NC=NC=C1N Q58565 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 H-8943 [0,1,0,0,0,0|1,0,2]=4 206 B10R1.61 C[C@H](N)C1=CC=CC=C1Br P51405 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl P41701 [0,1,0,0,0,0|1,0,2]=4 208 B10R1.61 N=C(N)C1=CC=CC=C1F P51589 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.61 N=C(N)C1=NC=CC=C1F O32719 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.61 N=C(N)C1=NC=CC=C1F O32720 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 N25046 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.61 NC(=O)C1=C(N)C=CN=C1 C-3535 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.61 NC(=O)C1=CC=CN=C1F N25255 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.61 NC(=O)C1=CC=NC=C1N O34515 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.61 NC(=O)C1=NC=CC=C1N C-3697 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.61 NC1=C(C(=O)O)C=CN=C1 G-6779 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.61 NC1=C(C(=O)O)C=NC=C1 G-5409 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.61 NC1=C(C(=O)O)N=CN=C1 Q57220 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.61 NC1=CC=CN=C1C(=O)O C-3331 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.61 O=C(Cl)C1=CC=CN=C1Br N24418 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.61 O=C(Cl)C1=CC=CN=C1F N25171 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 E-3001 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 G-5495 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 H-8359 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.61 O=C(O)C1=C(F)C=NC=C1 G-7559 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.61 O=C(O)C1=C(I)C=NC=C1 O31943 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.61 O=C(O)C1=CN=CC=C1F O34100 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.61 O=C(O)C1=NC=CC=C1F H-8045 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.61 O=C(O)C1=NC=CC=C1O I-9324 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.61 O=C(O)C1=NC=CN=C1Br S70901 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.61 O=C(O)C1=NC=CN=C1Cl G-5403 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.61 O=C(O)C1=NC=CN=C1I O29988 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.61 O=C(O)C1=NC=CN=C1O C-3727 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.61 O=C(O)C1=NC=NC=C1Cl P51523 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.61 O=C(O)C1=NC=NC=C1F O33158 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O L13797 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.61 OB(O)C1=NC=CC=C1F Q53806 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.61 OB(O)C1=NC=CC=C1O Q62472 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Q62345 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.113 CC(=O)C1=CC(C)=NC=N1 M15580 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 O32374 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C-3316 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.113 CC(=O)C1=CC(F)=CN=C1 P43295 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [0,1,0,0,0,0|0,0,0]=1 246 B10R1.113 CC(=O)C1=NC=CC(C)=N1 Q65344 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 P37163 [0,1,0,0,0,0|0,0,0]=1 248 B10R1.113 CC(C)C1=CC=CC(I)=N1 N26566 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.113 CC(N)C1=CC(N)=CC=C1 P41777 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.113 CC(N)C1=CC(O)=CC=C1 P36908 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.113 CC(N)C1=CC=CC(Br)=C1 O34417 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.113 CC(N)C1=CC=CC(Br)=C1 P36288 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 P39424 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.113 CC(N)C1=CC=CC(F)=C1 P36296 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.113 CC(O)C1=NC=CC(Br)=C1 Q53431 [0,1,0,0,0,0|0,0,2]=3 256 B10R1.113 CC1=CC(C(=O)O)=NN=C1 L14505 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.113 CC1=CC(C(C)N)=CC=C1 O30538 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.113 CC1=CC(C(C)N)=CC=C1 P36543 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.113 CC1=CN=CC(C(=O)O)=C1 I-9162 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.113 CC1=CN=CC(C(=O)O)=N1 G-6898 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.113 CC1=NC(C(=N)N)=NC=C1 C-2884 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.113 CC1=NC(C(=O)O)=NC=C1 L14301 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.113 CC1=NC(C(C)N)=NC=C1 Q58773 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.113 CC1=NC([C@@H](C)N)=CC=C1 Q58193 [0,1,0,0,0,0|1,0,1]=3 265 B10R1.113 CC1=NC([C@H](C)N)=CC=C1 Q58196 [0,1,0,0,0,0|1,0,1]=3 266 B10R1.113 CC1=NC=NC(C(=O)O)=C1 I-9646 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.113 CC1=NC=NC(C(C)N)=C1 Q56712 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.113 CN(C)C1=CC=CC(F)=C1 P39813 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.113 CN(C)C1=CC=NC(N)=N1 Q58698 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.113 CN(C)C1=NC=CC(N)=C1 M23713 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 P51333 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 P51219 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.113 FC(F)C1=CC=CC(Br)=N1 Q52729 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.113 FC(F)C1=NC=CC(Br)=C1 O31681 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.113 N=C(N)C1=CC(N)=CC=N1 Q58426 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.113 N=C(N)C1=CC(N)=CC=N1 Q58427 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.113 N=C(N)C1=CC=CC(N)=N1 Q58197 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 O29660 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.113 NC(=O)C1=CC(F)=CN=C1 P36523 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 O30750 [0,1,0,0,0,0|1,0,0]=2 282 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 G-6824 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 G-7501 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.113 NC(=S)C1=NC=CC(N)=C1 Q54468 [0,1,0,0,0,0|1,1,0]=3 285 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 O32690 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.113 NC1=NC=CC(C(=O)O)=C1 G-6760 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.113 NC1=NC=CC(C(=O)O)=N1 O31660 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 Q66304 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 O30825 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 Q68020 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 G-6966 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.113 O=C(O)C1=CC(F)=CN=C1 C-3613 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 L13496 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.113 O=C(O)C1=CC=CC(S)=N1 Q58206 [0,1,0,0,0,0|1,0,0]=2 295 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 G-6839 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C-2323 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 O30875 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.113 O=C(O)C1=NC(O)=NC=C1 O30222 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B-1209 [0,1,0,0,0,0|1,0,0]=2 301 B10R1.113 O=C(O)C1=NC=CC(F)=C1 O30336 [0,1,0,0,0,0|1,0,0]=2 302 B10R1.113 O=C(O)C1=NC=CC(I)=C1 G-6705 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.113 O=C1C=C(C(=O)O)NC=N1 Q57219 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=N1 O30304 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 O30887 [0,1,0,0,0,0|2,0,0]=3 306 B10R1.113 O=[N+]([O-])C1=NC=CC(Br)=C1 Q53333 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.113 OB(O)C1=CC(Cl)=CC=N1 Q53792 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.113 OB(O)C1=NC(Br)=CC=C1 Q53725 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.113 OB(O)C1=NC(Cl)=CC=C1 A-717 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.113 OC1=CC(C(F)F)=NC=C1 O31481 [0,1,0,0,0,0|2,0,1]=4 311 B10R2.6 C1=CC=C(C2CN2)C=C1 P41085 [0,0,0,1,0,0|2,0,1]=4 312 B10R2.6 C1=CN=C(C2CC2)C=C1 K12338 [0,0,0,1,0,0|1,0,1]=3 313 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [0,0,0,1,0,0|2,0,1]=4 314 B8R1.7 CC(=O)C1=CNC=N1 P51504 [0,0,0,0,1,0|1,0,0]=2 315 B8R1.7 CC(=O)C1=CNN=C1 H-8406 [0,0,0,0,1,0|2,0,0]=3 316 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [0,0,0,0,1,0|1,0,0]=2 317 B8R1.7 CC(C)C1=CC=CO1 A-982 [0,0,0,0,1,0|2,0,1]=4 318 B8R1.7 CC(C)N1C=CC=N1 Q67289 [0,0,0,0,1,0|2,0,1]=4 319 B8R1.7 CC(N)C1=NC=CS1 P51364 [0,0,0,0,1,0|2,0,1]=4 320 B8R1.7 CC(O)C1=CSC=C1 O31068 [0,0,0,0,1,0|1,0,2]=4 321 B8R1.7 C[C@@H](N)C1=NC=CS1 P51442 [0,0,0,0,1,0|2,0,1]=4 322 B8R1.7 C[C@H](N)C1=NC=CS1 P51443 [0,0,0,0,1,0|2,0,1]=4 323 B8R1.7 N=C(N)C1=NC=CN1 C-2876 [0,0,0,0,1,0|3,0,0]=4 324 B8R1.7 N=C(N)C1=NC=CN1 G-5793 [0,0,0,0,1,0|3,0,0]=4 325 B8R1.7 N=C(N)C1=NC=CN1 L13001 [0,0,0,0,1,0|3,0,0]=4 326 B8R1.7 N=C(N)C1=NC=CS1 G-6701 [0,0,0,0,1,0|3,0,0]=4 327 B8R1.7 NC(=O)C1=CC=CN1 P38018 [0,0,0,0,1,0|1,0,1]=3 328 B8R1.7 NC(=O)C1=CN=CO1 O31664 [0,0,0,0,1,0|3,0,0]=4 329 B8R1.7 NC(=O)C1=CN=CS1 O30585 [0,0,0,0,1,0|3,0,0]=4 330 B8R1.7 NC(=O)C1=CNC=N1 M15544 [0,0,0,0,1,0|2,0,0]=3 331 B8R1.7 NC(=O)C1=COC=N1 O34456 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.7 NC(=S)C1=CNC=N1 O30571 [0,0,0,0,1,0|2,1,0]=4 333 B8R1.7 NC(=S)C1=COC=N1 O31656 [0,0,0,0,1,0|2,1,0]=4 334 B8R1.7 NC(=S)C1=CSC=N1 O30629 [0,0,0,0,1,0|2,1,0]=4 335 B8R1.7 O=C(Cl)C1=NC=CS1 O31126 [0,0,0,0,1,0|2,0,0]=3 336 B8R1.7 O=C(O)C1=CC=NS1 P51141 [0,0,0,0,1,0|3,0,0]=4 337 B8R1.7 O=C(O)C1=CNN=C1 G-5584 [0,0,0,0,1,0|3,0,0]=4 338 B8R1.7 O=C(O)C1=CNN=N1 F-4261 [0,0,0,0,1,0|3,0,0]=4 339 B8R1.7 O=C(O)C1=COC=N1 I-9284 [0,0,0,0,1,0|2,0,0]=3 340 B8R1.7 O=C(O)C1=CSN=C1 L22423 [0,0,0,0,1,0|3,0,0]=4 341 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [0,0,0,0,1,0|2,0,0]=3 342 B8R1.7 O=C(O)C1=NC=NO1 H-8647 [0,0,0,0,1,0|3,0,0]=4 343 B8R1.7 O=C(O)C1=NNC=C1 I-9172 [0,0,0,0,1,0|2,0,0]=3 344 B8R1.7 O=C(O)C1=NSC=C1 O30998 [0,0,0,0,1,0|2,0,0]=3 345 B8R1.7 O=C([O-])C1=NC=CO1 K16120 [0,0,0,0,1,0|2,0,0]=3 346 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,0,0,0,0,1|2,0,0]=3 347 B10R1.18 CC(=O)NC1=NC=NC=C1 O29559 [0,0,0,0,0,1|1,0,0]=2 348 B10R1.18 CC(C)NC1=NN=CC=C1 O31988 [0,0,0,0,0,1|2,0,1]=4 349 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [0,0,0,0,0,1|1,0,1]=3 350 B10R1.18 FC(F)OC1=NC=CC=C1 O32452 [0,0,0,0,0,1|2,0,1]=4 351 B10R1.18 O=C(O)CC1=CC=NC=N1 Q51816 [0,0,0,0,0,1|2,0,0]=3 352 B10R1.18 O=C(O)CC1=NC=CC=N1 G-5171 [0,0,0,0,0,1|2,0,0]=3 353 B10R1.18 O=C([O-])CC1=NC=CC=N1 Q51814 [0,0,0,0,0,1|2,0,0]=3 354 B10R1.18 O=C([O-])CC1=NN=CC=C1 L13418 [0,0,0,0,0,1|2,0,0]=3 355 B7R1.3 BrC1=NC=CN=C1 P37390 [2,0,0,0,0,0|2,0,0]=4 356 B7R1.3 BrC1=NN=CC=C1 P44437 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.3 CC1=CC=CN=N1 G-5190 [2,0,0,0,0,0|1,0,0]=3 358 B7R1.3 CC1=NC=CC=N1 Q60049 [2,0,0,0,0,0|1,0,0]=3 359 B7R1.3 CC1=NC=NC=C1 G-5230 [2,0,0,0,0,0|1,0,0]=3 360 B7R1.3 ClC1=CC=NC=N1 C-2370 [2,0,0,0,0,0|2,0,0]=4 361 B7R1.3 ClC1=NN=CC=C1 C-2294 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.3 FC1=NC=CC=N1 O30628 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.3 IC1=NC=CC=N1 O34244 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 NC1=CC=CN=N1 C-3290 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.3 O=C1C=CC=NN1 C-2425 [2,0,0,0,0,0|1,0,1]=4 366 B7R1.3 O=C1C=CN=CN1 C-2283 [2,0,0,0,0,0|1,0,1]=4 367 B9R1.1 BrCC1=NC=C(Br)C=C1 O32745 [1,1,0,0,0,0|1,0,1]=4 368 B9R1.1 C#CC1=CC=C(N)C=N1 Q53285 [1,1,0,0,0,0|0,0,2]=4 369 B9R1.1 C#CC1=CC=C(O)C=N1 O29432 [1,1,0,0,0,0|0,0,2]=4 370 B9R1.1 C#CC1=NC=C(C)C=C1 O30107 [1,1,0,0,0,0|0,0,2]=4 371 B9R1.1 C#CC1=NC=C(Cl)C=C1 O30377 [1,1,0,0,0,0|0,0,2]=4 372 B9R1.1 C#CC1=NC=C(F)C=C1 M22957 [1,1,0,0,0,0|0,0,2]=4 373 B9R1.1 C(=O)C1=CN=C(Cl)C=C1 E-3026 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.1 C=CC1=NC=C(Br)C=N1 L14561 [1,1,0,0,0,0|1,0,1]=4 375 B9R1.1 C=CC1=NC=C(Cl)C=C1 O33380 [1,1,0,0,0,0|0,0,1]=3 376 B9R1.1 CC1=CN=C(C=O)C=C1 Q67276 [1,1,0,0,0,0|0,0,0]=2 377 B9R1.1 CC1=CN=C(C=O)C=N1 O30472 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.1 CC1=CN=C(C=O)N=C1 G-6319 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.1 CC1=CN=C(CO)C=C1 N24952 [1,1,0,0,0,0|0,0,2]=4 380 B9R1.1 CC1=NC=C(C=O)C=C1 C-2363 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 CCC1=CC=C(N)C=N1 A-656 [1,1,0,0,0,0|0,0,1]=3 382 B9R1.1 CCC1=NC=C(Br)C=C1 G-6695 [1,1,0,0,0,0|0,0,1]=3 383 B9R1.1 CCC1=NC=C(Br)C=N1 O33428 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.1 CCC1=NC=C(N)C=N1 G-7879 [1,1,0,0,0,0|1,0,1]=4 385 B9R1.1 CNC1=CC=C(F)C=N1 Q58345 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.1 CNC1=CC=C(I)C=C1 P37124 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 CNC1=CC=C(N)C=C1 P37009 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 CNC1=NC=C(Br)C=C1 P35851 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.1 CNC1=NC=C(Br)C=N1 O29243 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 CNC1=NC=C(Cl)C=N1 Q57222 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 CNC1=NC=C(I)C=N1 Q58560 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 COC1=CN=C(Br)C=N1 O34252 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 COC1=CN=C(N)C=N1 O31841 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.1 COC1=NC=C(C)C=C1 Q67071 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.1 COC1=NC=C(F)C=C1 P37735 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.1 COC1=NC=C(I)C=C1 Q67264 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.1 COC1=NC=C(N)C=N1 O31128 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 COC1=NC=C(O)C=C1 Q67584 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.1 COC1=NN=C(N)C=C1 P36408 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 CSC1=NC=C(Br)C=C1 Q66696 [1,1,0,0,0,0|1,0,0]=3 402 B9R1.1 CSC1=NC=C(C)C=C1 N24295 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.1 CSC1=NC=C(Cl)C=C1 N24817 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.1 ClC1=CN=C(CBr)C=C1 L18293 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.1 FC1=CN=C(CCl)C=C1 Q60053 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.1 N#CC1=CC=C(N)C=N1 Q51916 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.1 N#CC1=NC=C(I)C=C1 O30554 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.1 N#CC1=NC=C(O)C=C1 G-6237 [1,1,0,0,0,0|1,0,1]=4 409 B9R1.1 NC1=CC=C(C=O)C=N1 L13611 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 NC1=CN=C(C=O)C=N1 P51620 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.1 NCC1=CC=C(O)C=N1 O29328 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.1 NCC1=CC=C(O)C=N1 O31467 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.1 NCC1=NC=C(Br)C=C1 G-7736 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.1 NCC1=NC=C(Br)C=C1 L14589 [1,1,0,0,0,0|1,0,1]=4 415 B9R1.1 NCC1=NC=C(Br)C=C1 O30462 [1,1,0,0,0,0|1,0,1]=4 416 B9R1.1 NCC1=NC=C(Cl)C=C1 O30447 [1,1,0,0,0,0|1,0,1]=4 417 B9R1.1 NCC1=NC=C(Cl)C=C1 O31783 [1,1,0,0,0,0|1,0,1]=4 418 B9R1.1 NCC1=NC=C(Cl)C=C1 P36637 [1,1,0,0,0,0|1,0,1]=4 419 B9R1.1 NCC1=NC=C(F)C=C1 P37408 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.1 NNC1=NC=C(Cl)C=C1 Q67932 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.1 O=CC1=CC=C(O)C=N1 P44434 [1,1,0,0,0,0|0,0,0]=2 422 B9R1.1 O=CC1=CN=C(F)C=C1 P50975 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.1 O=CC1=NC=C(Br)C=N1 G-6054 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.1 O=CC1=NC=C(Cl)C=C1 Q67275 [1,1,0,0,0,0|0,0,0]=2 425 B9R1.1 O=CC1=NC=C(Cl)N=C1 I-9606 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.1 O=CC1=NC=C(F)C=C1 O30696 [1,1,0,0,0,0|0,0,0]=2 427 B9R1.1 O=CC1=NC=C(F)C=N1 G-7866 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.1 O=CC1=NN=C(Cl)C=C1 G-7962 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.1 O=CC1=NN=C(O)C=C1 O30370 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.1 OCC1=NC=C(Cl)C=C1 N24430 [1,1,0,0,0,0|0,0,2]=4 431 B9R1.1 OCC1=NC=C(F)C=C1 C-3467 [1,1,0,0,0,0|0,0,2]=4 432 B9R1.2 BrCC1=CC=CC(Br)=N1 P35902 [1,1,0,0,0,0|1,0,1]=4 433 B9R1.2 C#CC1=CC=CC(Cl)=N1 O30303 [1,1,0,0,0,0|0,0,2]=4 434 B9R1.2 C#CC1=CC=CC(N)=N1 P40552 [1,1,0,0,0,0|0,0,2]=4 435 B9R1.2 C#CC1=NC(C)=CC=C1 I-9683 [1,1,0,0,0,0|0,0,2]=4 436 B9R1.2 C#CC1=NC=CC(C)=C1 M22852 [1,1,0,0,0,0|0,0,2]=4 437 B9R1.2 C#CC1=NC=CC(N)=C1 Q65950 [1,1,0,0,0,0|0,0,2]=4 438 B9R1.2 C(=O)C1=CC=CC(Br)=N1 C-3289 [1,1,0,0,0,0|0,0,0]=2 439 B9R1.2 C(=O)C1=CC=NC(Cl)=C1 C-3314 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.2 C(=O)C1=CC=NC(Cl)=N1 Q56440 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.2 C=CC1=NC(Br)=CC=C1 L18289 [1,1,0,0,0,0|0,0,1]=3 442 B9R1.2 CC1=CC(C=O)=NC=C1 O31911 [1,1,0,0,0,0|0,0,0]=2 443 B9R1.2 CC1=CC(C=O)=NC=N1 Q60298 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.2 CC1=CC(CN)=NC=C1 O29857 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.2 CC1=CC(CN)=NC=C1 O31684 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.2 CC1=CC(NN)=NC=C1 O31163 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.2 CC1=CC=CC(CN)=N1 P35737 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.2 CC1=CC=CC(CN)=N1 P36768 [1,1,0,0,0,0|1,0,1]=4 449 B9R1.2 CC1=CC=NC(C=O)=N1 P44430 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.2 CC1=CN=CC(C=O)=C1 M15605 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.2 CCC1=CC(Cl)=NC=N1 P51150 [1,1,0,0,0,0|1,0,1]=4 452 B9R1.2 CCC1=CC=CC(Br)=N1 Q52717 [1,1,0,0,0,0|0,0,1]=3 453 B9R1.2 CCC1=CC=CC(Cl)=N1 Q62319 [1,1,0,0,0,0|0,0,1]=3 454 B9R1.2 CCC1=CC=CC(F)=N1 Q62318 [1,1,0,0,0,0|0,0,1]=3 455 B9R1.2 CCC1=NC=CC(Cl)=N1 L18383 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.2 CCC1=NC=CC(N)=C1 L18226 [1,1,0,0,0,0|0,0,1]=3 457 B9R1.2 CNC1=CC(C)=CC=N1 Q58361 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.2 CNC1=CC(C)=CC=N1 Q58362 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.2 CNC1=CC(O)=CC=C1 P41161 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.2 CNC1=CC=CC(F)=N1 Q58333 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.2 CNC1=CC=CC(I)=C1 P37043 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.2 CNC1=NC=CC(I)=C1 N26836 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.2 COC1=CC=CC(I)=N1 O32550 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.2 COC1=CC=NC(Br)=N1 S86521 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.2 COC1=CN=CC(Br)=N1 O30481 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.2 COC1=CN=CC(N)=N1 O31831 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.2 COC1=NC(N)=CC=N1 C-2497 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 COC1=NC=CC(Br)=C1 Q67517 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.2 COC1=NC=CC(Br)=N1 I-9088 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.2 COC1=NC=CC(Cl)=C1 Q68014 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.2 COC1=NC=CC(Cl)=N1 L22353 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.2 COC1=NC=CC(I)=C1 Q67717 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.2 COC1=NC=CC(N)=C1 G-5580 [1,1,0,0,0,0|1,0,0]=3 474 B9R1.2 COC1=NC=CC(O)=C1 N25339 [1,1,0,0,0,0|1,0,0]=3 475 B9R1.2 COC1=NC=CC(O)=N1 O30030 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 CSC1=CC=CC(Br)=N1 P51643 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.2 CSC1=NC(Cl)=NC=C1 O31924 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 CSC1=NC=CC(=O)N1 C-3321 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.2 CSC1=NC=CC(Cl)=N1 G-5360 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.2 CSC1=NC=CC(I)=N1 M24035 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.2 ClC1=NC(CBr)=CC=C1 N26153 [1,1,0,0,0,0|1,0,1]=4 482 B9R1.2 N#CC1=CC(N)=CC=N1 C-2284 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.2 N#CC1=CC=CC(Cl)=N1 E-3083 [1,1,0,0,0,0|1,0,1]=4 484 B9R1.2 N#CC1=NC(Br)=CC=C1 G-5119 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.2 N#CC1=NC(N)=CC=C1 O31090 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.2 N#CC1=NC=CC(Br)=C1 E-3011 [1,1,0,0,0,0|1,0,1]=4 487 B9R1.2 N#CC1=NC=CC(O)=C1 O29686 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.2 NC1=CC(CO)=NC=C1 P43136 [1,1,0,0,0,0|0,0,2]=4 490 B9R1.2 NC1=NC(C=O)=CC=C1 Q53329 [1,1,0,0,0,0|0,0,0]=2 491 B9R1.2 NC1=NC=CC(C=O)=C1 G-5572 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 NCC1=CC(F)=CC=N1 Q52932 [1,1,0,0,0,0|1,0,1]=4 493 B9R1.2 NCC1=NC(Br)=CC=C1 O34414 [1,1,0,0,0,0|1,0,1]=4 494 B9R1.2 NCC1=NC(F)=CC=C1 O30290 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.2 NCC1=NC(F)=CC=C1 O31621 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.2 NCC1=NC(N)=CC=C1 L20065 [1,1,0,0,0,0|1,0,1]=4 497 B9R1.2 NCC1=NC(N)=CC=C1 Q62425 [1,1,0,0,0,0|1,0,1]=4 498 B9R1.2 NCC1=NC(N)=CC=C1 Q62426 [1,1,0,0,0,0|1,0,1]=4 499 B9R1.2 NCC1=NC=CC(Br)=C1 G-5659 [1,1,0,0,0,0|1,0,1]=4 500 B9R1.2 NCC1=NC=CC(Br)=C1 O33288 [1,1,0,0,0,0|1,0,1]=4 501 B9R1.2 NCC1=NC=CC(Br)=C1 Q51926 [1,1,0,0,0,0|1,0,1]=4 502 B9R1.2 NCC1=NC=CC(Cl)=C1 I-9896 [1,1,0,0,0,0|1,0,1]=4 503 B9R1.2 NCC1=NC=CC(Cl)=C1 Q56342 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.2 NCC1=NC=CC(F)=C1 O29654 [1,1,0,0,0,0|1,0,1]=4 505 B9R1.2 NCC1=NC=CC(O)=C1 O29566 [1,1,0,0,0,0|1,0,1]=4 506 B9R1.2 NNC1=NC=CC(Cl)=C1 P43285 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.2 O=CC1=CC(Cl)=CN=C1 L21834 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.2 O=CC1=CC(Cl)=NC=N1 Q52806 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.2 O=CC1=CC(F)=CN=C1 C-3502 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.2 O=CC1=CC(F)=NC=C1 Q66309 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 O=CC1=CC(O)=CN=C1 O31574 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 O=CC1=NC(Br)=CC=N1 Q56237 [1,1,0,0,0,0|1,0,0]=3 513 B9R1.2 O=CC1=NC=CC(Cl)=C1 G-5341 [1,1,0,0,0,0|0,0,0]=2 514 B9R1.2 O=CC1=NC=CC(F)=C1 Q56665 [1,1,0,0,0,0|0,0,0]=2 515 B9R1.2 O=CC1=NC=CC(O)=C1 Q53140 [1,1,0,0,0,0|0,0,0]=2 516 B9R1.2 O=CC1=NC=NC(O)=C1 S72508 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.2 OCC1=NC(Br)=CC=C1 P38733 [1,1,0,0,0,0|0,0,2]=4 518 B9R1.2 OCC1=NC(F)=CC=C1 P38880 [1,1,0,0,0,0|0,0,2]=4 519 B9R1.2 OCC1=NC=CC(Br)=C1 B-1208 [1,1,0,0,0,0|0,0,2]=4 520 B9R1.2 OCC1=NC=CC(F)=C1 O29281 [1,1,0,0,0,0|0,0,2]=4 521 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [1,1,0,0,0,0|0,0,1]=3 522 B9R1.8 CCNC1=NN=CC=C1 O31986 [1,1,0,0,0,0|1,0,1]=4 523 B9R1.8 CNCC1=NC=CC=C1 P39822 [1,1,0,0,0,0|0,0,1]=3 524 B9R1.8 CNCC1=NC=CC=N1 L18100 [1,1,0,0,0,0|1,0,1]=4 525 B9R1.8 NCCC1=CC=NC=N1 L14509 [1,1,0,0,0,0|1,0,1]=4 526 B9R1.8 NCCC1=NC=CC=N1 L14904 [1,1,0,0,0,0|1,0,1]=4 527 B9R1.8 NCCC1=NC=CC=N1 Q55474 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.8 NCCC1=NC=NC=C1 Q56454 [1,1,0,0,0,0|1,0,1]=4 529 B9R1.8 NNCC1=NC=CC=C1 C-3255 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.8 NNCC1=NC=CC=C1 O31423 [1,1,0,0,0,0|1,0,1]=4 531 B9R1.8 O=C=NC1=NC=CC=C1 P43266 [1,1,0,0,0,0|0,0,1]=3 532 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.8 OCCC1=CC=NC=N1 Q56821 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.8 OCCC1=NC=CC=N1 Q56820 [1,1,0,0,0,0|1,0,1]=4 535 B9R1.8 O\N=C\C1=CC=NC=N1 Q58586 [1,1,0,0,0,0|1,0,1]=4 536 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 O32008 [1,1,0,0,0,0|0,0,2]=4 537 B9R1.15 BrCC1=NC=CC=C1Br O34067 [1,1,0,0,0,0|1,0,1]=4 538 B9R1.15 C#CC1=NC=CC=C1C O31053 [1,1,0,0,0,0|0,0,2]=4 539 B9R1.15 C(=O)C1=C(O)C=CN=C1 Q57085 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.15 C(=O)C1=CC=CN=C1C C-2892 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.15 C(=O)C1=CC=CN=C1N E-3082 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.15 C(=O)C1=CN=CC=C1C C-2893 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.15 C(=O)C1=NC=CN=C1Cl L18467 [1,1,0,0,0,0|1,0,0]=3 544 B9R1.15 C(=O)C1=NC=CN=C1N C-3433 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.15 C(=O)C1=NC=NC=C1N Q55482 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.15 C=CC1=CC=CC=C1N O30540 [1,1,0,0,0,0|1,0,1]=4 547 B9R1.15 CC1=C(C=O)N=CC=C1 G-5812 [1,1,0,0,0,0|0,0,0]=2 548 B9R1.15 CC1=C(CO)N=CC=C1 Q62329 [1,1,0,0,0,0|0,0,2]=4 549 B9R1.15 CC1=CC=CN=C1CBr O30100 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.15 CC1=CC=CN=C1CN P40986 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.15 CCC1=NC=NC=C1F C-2874 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.15 CNC1=NC=CC=C1F Q69363 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.15 CNC1=NC=CC=C1I N27017 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.15 CNC1=NC=CC=C1N M23208 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.15 CNC1=NN=CC=C1Br O29409 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.15 COC1=NC=CC=C1Br Q66368 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.15 COC1=NC=CC=C1Cl Q67093 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.15 COC1=NC=CC=C1O Q67611 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.15 COC1=NC=CN=C1N O30666 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.15 COC1=NC=NC=C1N O30116 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.15 COC1=NC=NC=C1N O31509 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.15 CSC1=NC=CC=C1Cl N27821 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.15 ClC1=CC=CN=C1CBr O29992 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.15 ClC1=CC=CN=C1CBr O30940 [1,1,0,0,0,0|1,0,1]=4 565 B9R1.15 FC1=CC=CN=C1CBr F-4122 [1,1,0,0,0,0|1,0,1]=4 566 B9R1.15 FC1=CC=CN=C1CBr L22053 [1,1,0,0,0,0|1,0,1]=4 567 B9R1.15 N#CC1=NC=CC=C1Br P37427 [1,1,0,0,0,0|1,0,1]=4 568 B9R1.15 N#CC1=NC=CC=C1F G-6791 [1,1,0,0,0,0|1,0,1]=4 569 B9R1.15 N#CC1=NC=CC=C1I N24644 [1,1,0,0,0,0|1,0,1]=4 570 B9R1.15 N#CC1=NC=CC=C1N C-3688 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.15 NC1=C(C=O)C=CN=C1 I-9640 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.15 NC1=C(C=O)C=NC=C1 Q51902 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.15 NCC1=NC=CC=C1Br P43535 [1,1,0,0,0,0|1,0,1]=4 574 B9R1.15 NCC1=NC=CC=C1Cl L14332 [1,1,0,0,0,0|1,0,1]=4 575 B9R1.15 NCC1=NC=CC=C1Cl P37858 [1,1,0,0,0,0|1,0,1]=4 576 B9R1.15 NCC1=NC=CC=C1F L21946 [1,1,0,0,0,0|1,0,1]=4 577 B9R1.15 NCC1=NC=CC=C1F P45775 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.15 O=CC1=C(Br)C=CN=C1 L14209 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.15 O=CC1=C(Br)C=CN=C1 L21843 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.15 O=CC1=C(Br)C=CN=C1 N24911 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.15 O=CC1=C(Br)C=NC=C1 Q66929 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.15 O=CC1=C(Br)C=NC=C1 Q67986 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.15 O=CC1=C(Cl)C=CN=C1 G-7008 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.15 O=CC1=C(Cl)C=CN=C1 N24210 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.15 O=CC1=C(Cl)C=NC=C1 N27329 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.15 O=CC1=C(F)C=CN=C1 Q56666 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 O=CC1=C(I)C=CC=C1 G-5775 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.15 O=CC1=NC=CC=C1Br O31907 [1,1,0,0,0,0|0,0,0]=2 589 B9R1.15 O=CC1=NC=CC=C1Cl O31967 [1,1,0,0,0,0|0,0,0]=2 590 B9R1.15 O=CC1=NC=CC=C1F Q66589 [1,1,0,0,0,0|0,0,0]=2 591 B9R1.15 O=CC1=NC=CC=C1O L22205 [1,1,0,0,0,0|0,0,0]=2 592 B9R1.15 OCC1=NC=CC=C1F C-2822 [1,1,0,0,0,0|0,0,2]=4 593 B9R1.15 OCC1=NC=CC=C1O P41369 [1,1,0,0,0,0|0,0,2]=4 594 B9R1.11 CNC(=O)C1=CNN=C1 L21508 [0,1,0,0,1,0|2,0,0]=4 595 B9R1.11 CNC(=O)N1C=CN=C1 F-4391 [0,1,0,0,1,0|2,0,0]=4 596 B9R1.11 COC(=O)C1=CC=CN1 G-7797 [0,1,0,0,1,0|0,0,1]=3 597 B9R1.11 COC(=O)C1=CN=CO1 O30359 [0,1,0,0,1,0|2,0,0]=4 598 B9R1.11 COC(=O)C1=CN=CS1 P48087 [0,1,0,0,1,0|2,0,0]=4 599 B9R1.11 COC(=O)C1=CNN=C1 G-7338 [0,1,0,0,1,0|2,0,0]=4 600 B9R1.11 COC(=O)C1=NC=CN1 G-6057 [0,1,0,0,1,0|1,0,0]=3 601 B9R1.11 COC(=O)C1=NC=CS1 P37422 [0,1,0,0,1,0|1,0,0]=3 602 B9R1.11 COC(=O)C1=NNC=C1 P40994 [0,1,0,0,1,0|1,0,0]=3 603 B9R1.11 NNC(=O)C1=COC=N1 O30605 [0,1,0,0,1,0|2,0,0]=4 604 B9R1.11 NNC(=O)C1=CSC=N1 O31923 [0,1,0,0,1,0|2,0,0]=4 605 B9R1.11 NNC(=O)C1=NC=CS1 O31112 [0,1,0,0,1,0|2,0,0]=4 606 B9R1.11 O=C(CBr)C1=CC=CS1 P43533 [0,1,0,0,1,0|1,0,0]=3 607 B9R1.11 O=C(CBr)C1=CSC=C1 O31908 [0,1,0,0,1,0|1,0,0]=3 608 B9R1.11 O=C(CBr)C1=CSC=N1 O31047 [0,1,0,0,1,0|1,0,0]=3 609 B9R1.11 O=C(CBr)C1=NC=CS1 O31894 [0,1,0,0,1,0|1,0,0]=3 610 B9R1.11 O=CC(=O)C1=CC=CS1 P41441 [0,1,0,0,1,0|1,0,1]=4 611 B9R1.19 CS(=O)(=O)C1=NNC=C1 Q64204 [0,1,0,0,1,0|2,0,0]=4 612 B9R1.35 CC(=O)C1=CC(Br)=CS1 Q67343 [0,1,0,0,1,0|1,0,0]=3 613 B9R1.35 CC(=O)C1=CN(C)N=C1 O31882 [0,1,0,0,1,0|2,0,0]=4 614 B9R1.35 CC(=O)C1=CN=C(N)S1 L18220 [0,1,0,0,1,0|2,0,0]=4 615 B9R1.35 CC(=O)C1=CSC(Cl)=C1 G-5625 [0,1,0,0,1,0|1,0,0]=3 616 B9R1.35 CC(=O)C1=NC(Br)=CS1 Q68164 [0,1,0,0,1,0|1,0,0]=3 617 B9R1.35 CC(=O)C1=NC(C)=CO1 M15480 [0,1,0,0,1,0|1,0,0]=3 618 B9R1.35 CC(=O)C1=NC=C(Br)S1 I-9633 [0,1,0,0,1,0|1,0,0]=3 619 B9R1.35 CC(=O)C1=NC=C(C)S1 O31088 [0,1,0,0,1,0|1,0,0]=3 620 B9R1.35 CC(=O)C1=NN(C)C=C1 K12255 [0,1,0,0,1,0|1,0,0]=3 621 B9R1.35 CC(=O)C1=NNC(N)=C1 G-7055 [0,1,0,0,1,0|1,0,0]=3 622 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [0,1,0,0,1,0|2,0,0]=4 623 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [0,1,0,0,1,0|2,0,0]=4 624 B9R1.35 CC1=CC(C(=O)O)=NN1 G-6037 [0,1,0,0,1,0|2,0,0]=4 625 B9R1.35 CC1=CN=C(C(=O)[O-])O1 L21445 [0,1,0,0,1,0|2,0,0]=4 626 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,1,0,0,1,0|2,0,0]=4 627 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [0,1,0,0,1,0|2,0,0]=4 628 B9R1.35 CC1=NC(C(N)=O)=CS1 O34426 [0,1,0,0,1,0|2,0,0]=4 629 B9R1.35 CN1C=CC(C(=O)Cl)=N1 O30468 [0,1,0,0,1,0|2,0,0]=4 630 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [0,1,0,0,1,0|2,0,0]=4 631 B9R1.35 CN1C=NC(C(=O)O)=C1 G-5691 [0,1,0,0,1,0|2,0,0]=4 632 B9R1.35 NC(=O)C1=CC=C(Br)N1 G-6434 [0,1,0,0,1,0|1,0,1]=4 633 B9R1.35 NC1=CN=C(C(=O)O)S1 G-5065 [0,1,0,0,1,0|2,0,0]=4 634 B9R1.35 NC1=NC(C(=O)O)=CO1 G-7158 [0,1,0,0,1,0|2,0,0]=4 635 B9R1.35 NC1=NC(C(=O)O)=CS1 O30841 [0,1,0,0,1,0|2,0,0]=4 636 B9R1.35 O=C(O)C1=CC(Cl)=CS1 O30065 [0,1,0,0,1,0|2,0,0]=4 637 B9R1.35 O=C(O)C1=CC=C(Cl)S1 G-6814 [0,1,0,0,1,0|2,0,0]=4 638 B9R1.35 O=C(O)C1=CC=C(F)S1 G-5621 [0,1,0,0,1,0|2,0,0]=4 639 B9R1.35 O=C(O)C1=COC(Cl)=N1 O30387 [0,1,0,0,1,0|2,0,0]=4 640 B9R1.35 O=C(O)C1=CSC(Cl)=C1 G-5624 [0,1,0,0,1,0|2,0,0]=4 641 B9R1.35 O=C(O)C1=NC(Br)=CS1 G-6045 [0,1,0,0,1,0|2,0,0]=4 642 B9R1.35 O=C(O)C1=NC=C(Br)S1 I-9912 [0,1,0,0,1,0|2,0,0]=4 643 B9R1.35 O=C(O)C1=NC=C(Cl)S1 I-9904 [0,1,0,0,1,0|2,0,0]=4 644 B9R1.35 O=C(O)C1=NNC(Br)=C1 H-8089 [0,1,0,0,1,0|2,0,0]=4 645 B9R1.35 O=C(O)C1=NNC(Cl)=C1 O34355 [0,1,0,0,1,0|2,0,0]=4 646 B9R1.35 O=C(O)C1=NNC(F)=C1 Q52440 [0,1,0,0,1,0|2,0,0]=4 647 B9R1.41 CC(=O)C1=C(Br)C=CS1 Q65588 [0,1,0,0,1,0|1,0,0]=3 648 B9R1.41 CC(=O)C1=CC=NN1C N24556 [0,1,0,0,1,0|1,0,1]=4 649 B9R1.41 CC(=O)C1=NC=CN1C C-2913 [0,1,0,0,1,0|1,0,0]=3 650 B9R1.41 CC1=C(C(=O)O)N=CO1 O31842 [0,1,0,0,1,0|2,0,0]=4 651 B9R1.41 CC1=C(C(=O)O)N=CS1 10657 [0,1,0,0,1,0|2,0,0]=4 652 B9R1.41 CC1=CSC=C1C(=O)O L22411 [0,1,0,0,1,0|2,0,0]=4 653 B9R1.41 NC(=O)C1=CC=CN1N L13700 [0,1,0,0,1,0|1,0,1]=4 654 B9R1.41 NC1=C(C(=O)O)C=CS1 P44611 [0,1,0,0,1,0|2,0,0]=4 655 B9R1.41 O=C(O)C1=C(Br)C=CS1 G-6768 [0,1,0,0,1,0|2,0,0]=4 656 B9R1.41 O=C(O)C1=C(Br)SC=N1 O34437 [0,1,0,0,1,0|2,0,0]=4 657 B9R1.41 O=C(O)C1=C(Cl)C=CN1 H-8302 [0,1,0,0,1,0|1,0,1]=4 658 B9R1.41 O=C(O)C1=CSC=C1Br G-7938 [0,1,0,0,1,0|2,0,0]=4 659 B9R1.41 O=C(O)C1=NNC=C1F Q64164 [0,1,0,0,1,0|2,0,0]=4 660 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 P38969 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.20 CC(=O)NC1=CC=C(N)N=C1 Q58423 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 L19034 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 M15214 [0,1,0,0,0,1|0,0,0]=2 664 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [0,1,0,0,0,1|1,0,0]=3 665 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [0,1,0,0,0,1|1,0,0]=3 666 B11R1.20 CC(C)NC1=NC=C(Br)C=C1 P38063 [0,1,0,0,0,1|1,0,1]=4 667 B11R1.20 CC(C)OC1=CC=C(N)C=N1 Q53684 [0,1,0,0,0,1|1,0,1]=4 668 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Q67257 [0,1,0,0,0,1|1,0,1]=4 669 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 N24389 [0,1,0,0,0,1|1,0,1]=4 670 B11R1.20 CC(C)OC1=NC=C(I)C=C1 N24494 [0,1,0,0,0,1|1,0,1]=4 671 B11R1.20 CC(C)OC1=NC=C(O)C=C1 N26096 [0,1,0,0,0,1|1,0,1]=4 672 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 O33494 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 F-4355 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [0,1,0,0,0,1|1,0,0]=3 676 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [0,1,0,0,0,1|1,0,0]=3 677 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [0,1,0,0,0,1|1,0,0]=3 678 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 G-6586 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [0,1,0,0,0,1|1,0,0]=3 680 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 L14934 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.20 O=C([O-])CC1=NC=C(Br)C=N1 Q56572 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.36 CC(C(=O)O)C1=NC=CC=C1 O29926 [0,1,0,0,0,1|1,0,0]=3 683 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.40 C=CC(=O)NC1=CC=CC=N1 Q58307 [0,1,0,0,0,1|0,0,1]=3 685 B11R1.40 C=CC(=O)NC1=NC=CC=N1 Q58721 [0,1,0,0,0,1|1,0,1]=4 686 B11R1.40 CC(CN)SC1=CC=CC=N1 Q58359 [0,1,0,0,0,1|1,0,1]=4 687 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.40 COC(=O)CC1=NC=NC=C1 P44252 [0,1,0,0,0,1|1,0,0]=3 689 B11R1.40 COC(=O)CC1=NN=CC=C1 G-6749 [0,1,0,0,0,1|1,0,0]=3 690 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [0,1,0,0,0,1|1,0,0]=3 691 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,1,0,0,0,1|1,0,0]=3 692 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [0,1,0,0,0,1|1,0,0]=3 693 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.40 O=C(CCl)NC1=CC=CN=C1 P36081 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.86 CC(=O)CC1=NC=CC=C1Br Q58439 [0,1,0,0,0,1|0,0,0]=2 696 B11R1.86 CC(=O)CC1=NC=CC=C1Cl Q58438 [0,1,0,0,0,1|0,0,0]=2 697 B11R1.86 CC(=O)OC1=CC=CC=C1Br P40333 [0,1,0,0,0,1|1,0,0]=3 698 B11R1.86 CC(C)OC1=NC=CC=C1Br Q67456 [0,1,0,0,0,1|1,0,1]=4 699 B11R1.86 CC(C)OC1=NC=CC=C1Cl N26015 [0,1,0,0,0,1|1,0,1]=4 700 B11R1.86 NC1=CC=CC=C1CC(=O)O P38750 [0,1,0,0,0,1|2,0,0]=4 701 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 Q60647 [0,1,0,0,0,1|1,0,0]=3 702 B11R1.86 O=C(O)CC1=NC=CC=C1Br I-9578 [0,1,0,0,0,1|1,0,0]=3 703 B11R1.86 O=C(O)CC1=NC=CC=C1O F-4648 [0,1,0,0,0,1|1,0,0]=3 704 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl L13128 [0,1,0,0,0,1|2,0,0]=4 705 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 Q69806 [0,1,0,0,0,1|0,0,0]=2 706 B11R1.157 CC(=O)NC1=NC=NC(Cl)=C1 O29465 [0,1,0,0,0,1|1,0,0]=3 707 B11R1.157 CC(=O)NC1=NC=NC(N)=C1 O32446 [0,1,0,0,0,1|1,0,0]=3 708 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 P38633 [0,1,0,0,0,1|1,0,0]=3 709 B11R1.157 CC(C)OC1=NC(Cl)=CC=C1 N25603 [0,1,0,0,0,1|1,0,1]=4 710 B11R1.157 CC(C)OC1=NC=CC(I)=C1 N24860 [0,1,0,0,0,1|1,0,1]=4 711 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 Q60602 [0,1,0,0,0,1|1,0,0]=3 712 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 M15842 [0,1,0,0,0,1|1,0,0]=3 713 B11R1.157 CC1=CC=NC(CC(=O)O)=C1 Q52544 [0,1,0,0,0,1|1,0,0]=3 714 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 P42693 [0,1,0,0,0,1|1,0,0]=3 715 B11R1.157 O=C(O)CC1=NC(F)=CC=C1 L21789 [0,1,0,0,0,1|1,0,0]=3 716 B11R1.157 O=C(O)CC1=NC(O)=CC=C1 S72816 [0,1,0,0,0,1|1,0,0]=3 717 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 Q60753 [0,1,0,0,0,1|1,0,0]=3 718 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 Q60777 [0,1,0,0,0,1|1,0,0]=3 719 B11R1.509 NS(=O)(=O)CC1=NC=CC=C1 Q52417 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.509 O=S(=O)(O)CC1=CC=CC=N1 Q62430 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 O28118 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 O27991 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 L20737 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 P36753 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.3 CCC1=CC=C(C(C)=O)C=N1 Q53712 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 P43454 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 N24653 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.3 CN(C)C1=NC=C(CCl)C=C1 L19285 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.3 CN(C)C1=NC=C(CO)C=C1 Q67746 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.3 CNC1=CC=C([N+](=O)[O-])N=C1 Q58201 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.3 COC1=CN=C(C(=O)O)C=C1 Q68348 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.3 COC1=CN=C(C(=O)O)C=N1 O31701 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.3 COC1=CN=C(C(=O)O)N=C1 Q52332 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.3 COC1=CN=C([C@@H](C)N)C=C1 Q62470 [0,2,0,0,0,0|1,0,1]=4 735 B11R1.3 COC1=NN=C(C(=O)O)C=C1 L22364 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 P43237 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.3 N#CC1=CC=C(C(N)=O)C=C1 P38941 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.3 N#CC1=CC=C([N+](=O)[O-])N=C1 F-4322 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 P43253 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 P37128 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 O28757 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.3 O=C(O)C1=CC=C(CS)C=C1 P38363 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 Q60215 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.3 O=[N+]([O-])C1=NC=C(CBr)C=C1 Q65377 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.19 CC(C)(N)C1=NC=C(F)C=C1 Q69598 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.19 CS(=N)(=O)C1=CC=C(Cl)C=C1 F-4632 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=C1 S72495 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=N1 L13517 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.19 NS(=O)(=O)C1=CC=C(F)C=N1 Q58364 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.19 NS(=O)(=O)C1=NC=C(Br)C=C1 P51679 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.19 O=S(=O)(Cl)C1=NC=C(Br)C=C1 P51672 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.19 O=S(=O)(Cl)C1=NC=C(Cl)C=C1 P51674 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.21 CC(=O)C1=CC(Cl)=C(C)N=C1 O29923 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 M15796 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.21 CC(=O)C1=CC=C(Cl)C(Br)=C1 Q66292 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 N25331 [0,2,0,0,0,0|1,0,0]=3 757 B11R1.21 CC(C)C1=CC=C(Br)C(N)=N1 Q53515 [0,2,0,0,0,0|1,0,1]=4 758 B11R1.21 CC(C)C1=CC=C(O)C(Cl)=N1 Q68845 [0,2,0,0,0,0|1,0,1]=4 759 B11R1.21 CC1=C(Br)N=C(C(=O)O)C=C1 Q53116 [0,2,0,0,0,0|1,0,0]=3 760 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=N1 Q53103 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.21 CC1=CC(C(=O)Cl)=NC=C1Br N27305 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br Q67785 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.21 CC1=CC(C(N)=O)=CC=C1N M15755 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.21 CC1=CC(C(N)=O)=NC=C1Br N25351 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.21 CC1=CC(N(C)C)=NC=C1Br Q67726 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.21 CC1=CC(N(C)C)=NC=C1N P36524 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.21 CC1=CC([C@@H](C)N)=NC=C1Br P43692 [0,2,0,0,0,0|1,0,1]=4 768 B11R1.21 CC1=CC([C@H](C)N)=NC=C1Br O29651 [0,2,0,0,0,0|1,0,1]=4 769 B11R1.21 CC1=CC([N+](=O)[O-])=NC=C1F Q53102 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.21 CC1=CC([N+](=O)[O-])=NC=C1O Q53101 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.21 CC1=CN=C(C(=O)O)C=C1C Q60799 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl Q52680 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.21 CC1=CN=C(C(=O)O)C=C1N Q53529 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.21 CC1=NC(C(=O)Cl)=CC=C1Br N27313 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Q67308 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.21 CC1=NC(C(N)=O)=CC=C1Br N25229 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.21 CC1=NC([N+](=O)[O-])=CC=C1Br O34233 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.21 CC1=NC([N+](=O)[O-])=CC=C1O O34208 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.21 CN1N=C(C(=O)O)C=CC1=O L21788 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.21 NC(=O)C1=NC(Br)=C(F)C=C1 O31506 [0,2,0,0,0,0|1,0,0]=3 781 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=N1 C-2776 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 A-871 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.21 NC1=C(S)C=CC(C(=O)O)=C1 H-8774 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.21 NC1=CC(C(=O)O)=CC=C1S K16116 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.21 NC1=CC(C(=O)O)=NC=C1Br L13873 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 P37038 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 K13440 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 O31936 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 O33279 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 L18290 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 F-4046 [0,2,0,0,0,0|1,0,0]=3 792 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 Q60811 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 Q65591 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.21 O=C(O)C1=NC=C(Cl)C(Cl)=C1 Q60752 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.22 C#CC(=O)C1=CC=C(Cl)C=C1 P39524 [0,2,0,0,0,0|1,0,1]=4 796 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 P40808 [0,2,0,0,0,0|1,0,1]=4 797 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [0,2,0,0,0,0|1,0,0]=3 798 B11R1.22 CC1=NC=C(C(=O)CBr)C=C1 Q52597 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.22 CCC(=O)C1=NC=C(C)C=N1 O29473 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.22 CNC(=O)C1=CC=C(Br)N=C1 P35629 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.22 CNC(=O)C1=CC=C(N)N=C1 S72671 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 P50985 [0,2,0,0,0,0|0,0,0]=2 803 B11R1.22 CNC(=O)C1=NC=C(O)C=C1 O30530 [0,2,0,0,0,0|0,0,0]=2 804 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 C-3212 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 C-3291 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.22 COC(=O)C1=CC=C(N)C=N1 C-2286 [0,2,0,0,0,0|0,0,0]=2 807 B11R1.22 COC(=O)C1=CC=C(O)N=N1 C-2379 [0,2,0,0,0,0|1,0,0]=3 808 B11R1.22 COC(=O)C1=CC=C(S)N=C1 H-8392 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.22 COC(=O)C1=CN=C(F)C=C1 Q66489 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.22 COC(=O)C1=CN=C(N)C=N1 C-3306 [0,2,0,0,0,0|1,0,0]=3 811 B11R1.22 COC(=O)C1=CN=C(O)C=C1 G-5577 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 O30862 [0,2,0,0,0,0|1,0,0]=3 813 B11R1.22 COC(=O)C1=NC=C(C)C=N1 G-5731 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 G-5538 [0,2,0,0,0,0|1,0,0]=3 815 B11R1.22 COC(=O)C1=NC=C(F)C=C1 Q54927 [0,2,0,0,0,0|0,0,0]=2 816 B11R1.22 COC(=O)C1=NC=C(F)C=N1 O34307 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.22 COC(=O)C1=NC=C(N)C=N1 C-2775 [0,2,0,0,0,0|1,0,0]=3 818 B11R1.22 COC(=O)C1=NC=C(N)C=N1 G-5008 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.22 COC(=O)C1=NC=C(N)N=C1 O31116 [0,2,0,0,0,0|1,0,0]=3 820 B11R1.22 COC(=O)C1=NC=C(O)C=C1 G-5601 [0,2,0,0,0,0|0,0,0]=2 821 B11R1.22 COC(=O)C1=NC=C(O)C=N1 Q55461 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.22 COC(=O)C1=NN=C(N)C=C1 G-5477 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 P40081 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 O31201 [0,2,0,0,0,0|1,0,0]=3 825 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 P35986 [0,2,0,0,0,0|1,0,1]=4 826 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 O31353 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.166 CC(=O)C1=CC=C(C)C=C1Br P42929 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl O30258 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1N Q69764 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.166 CC(=O)C1=CC=C(N)C=C1Cl O32522 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl Q62398 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C O31315 [0,2,0,0,0,0|0,0,0]=2 833 B11R1.166 CC(=O)C1=NC=C(Br)C=C1Cl O31321 [0,2,0,0,0,0|0,0,0]=2 834 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1Br O30236 [0,2,0,0,0,0|0,0,0]=2 835 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C O29675 [0,2,0,0,0,0|0,0,0]=2 836 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F O30130 [0,2,0,0,0,0|0,0,0]=2 837 B11R1.166 CC(=O)C1=NC=C(F)C=C1Br O31291 [0,2,0,0,0,0|0,0,0]=2 838 B11R1.166 CC(=O)C1=NC=C(F)C=C1Cl O29749 [0,2,0,0,0,0|0,0,0]=2 839 B11R1.166 CC(=O)C1=NC=C(F)C=C1F O32686 [0,2,0,0,0,0|0,0,0]=2 840 B11R1.166 CC(Cl)C1=NC=C(Cl)C=C1F Q54853 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.166 CC(N)C1=NC=C(Cl)C=C1Br O29726 [0,2,0,0,0,0|1,0,1]=4 842 B11R1.166 CC(N)C1=NC=C(Cl)C=C1Br O31000 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.166 CC(N)C1=NC=C(Cl)C=C1F O32078 [0,2,0,0,0,0|1,0,1]=4 844 B11R1.166 CC(N)C1=NC=C(F)C=C1Cl O29261 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.166 CC(N)C1=NC=C(F)C=C1Cl O32103 [0,2,0,0,0,0|1,0,1]=4 846 B11R1.166 CC(O)C1=NC=C(Br)C=C1F H-8321 [0,2,0,0,0,0|0,0,2]=4 847 B11R1.166 CC(O)C1=NC=C(Cl)C=C1Br O29987 [0,2,0,0,0,0|0,0,2]=4 848 B11R1.166 CC(O)C1=NC=C(Cl)C=C1F O31489 [0,2,0,0,0,0|0,0,2]=4 849 B11R1.166 CC(O)C1=NC=C(F)C=C1F O29489 [0,2,0,0,0,0|0,0,2]=4 850 B11R1.166 CC1=CC(Br)=CN=C1C(=O)Cl N24228 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.166 CC1=CC(Br)=CN=C1C(N)=O N25137 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.166 CC1=CC(Br)=CN=C1[N+](=O)[O-] Q57209 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.166 CC1=CC(O)=CN=C1C(=O)O Q60879 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 O31836 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 O31096 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 I-9719 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.166 CC1=CN=C(C(=O)O)C(O)=N1 K12278 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 O31639 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.166 CC1=CN=C([N+](=O)[O-])C(O)=C1 M15040 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 N24181 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.166 NC(=O)C1=C(N)C=C(Br)C=C1 F-4223 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl Q68006 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Br Q68008 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.166 NC(=O)C1=CC=C(O)C=C1F O30471 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.166 NC(=O)C1=NC=C(Br)C=C1F O31169 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.166 NC(=O)C1=NC=C(Br)C=C1N C-3698 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F O30034 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O C-2276 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.166 NC1=CC(Br)=CN=C1[N+](=O)[O-] O31288 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6102 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6103 [0,2,0,0,0,0|1,0,0]=3 872 B11R1.166 NC1=CC(F)=C(C(=O)O)N=C1 Q55031 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.166 NC1=CC(F)=CN=C1C(=O)O O33092 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.166 NC1=CC(I)=CC=C1C(=O)O O32287 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 Q60904 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=N1 Q60786 [0,2,0,0,0,0|1,0,0]=3 877 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Br P37092 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.166 O=C(O)C1=CC=C(F)C=C1O M22934 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.166 O=C(O)C1=CC=C(I)C=C1F P43484 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl Q66502 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl Q68112 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F G-7561 [0,2,0,0,0,0|1,0,0]=3 883 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br Q67790 [0,2,0,0,0,0|1,0,0]=3 884 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F O30677 [0,2,0,0,0,0|1,0,0]=3 885 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl I-9428 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl O31562 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.166 O=C(O)C1=NC=C(O)C=C1F O29407 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.166 O=[N+]([O-])C1=NC=C(Br)C=C1Br P51408 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.166 O=[N+]([O-])C1=NC=C(Br)C=C1F L22095 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.166 O=[N+]([O-])C1=NC=C(Br)C=C1O 10645 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.7 CC(C)(CO)C1=NC=CC=C1 Q54944 [0,2,0,0,0,0|0,0,2]=4 892 B11R1.7 NCC(F)(F)C1=NC=CC=C1 L14284 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.7 OCC(F)(F)C1=NC=CC=C1 C-2830 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 M15334 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.16 C=CCC(O)C1=NC=CC=C1 L20408 [0,2,0,0,0,0|0,0,2]=4 896 B11R1.16 CCCC(=O)C1=CC=CN=C1 P40625 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.16 CNCC(O)C1=NC=CC=C1 L20626 [0,2,0,0,0,0|0,0,2]=4 898 B11R1.16 CONC(=O)C1=CC=CC=C1 Q65648 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.16 N#CCC(=O)C1=CC=CN=C1 P38931 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.16 N#CCC(=O)C1=CC=NC=C1 P39466 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.16 N#CCC(=O)C1=NC=CC=C1 M15816 [0,2,0,0,0,0|0,0,0]=2 902 B11R1.23 C#CC(=O)C1=CC=CC(Cl)=C1 P38720 [0,2,0,0,0,0|1,0,1]=4 903 B11R1.23 CC1=CC(C(=O)CBr)=CC=C1 O28559 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.23 CC1=CC=CC(C(=O)NN)=N1 S72497 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.23 COC(=O)C1=CC(C)=CN=C1 Q66697 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.23 COC(=O)C1=CC(C)=CN=N1 L22161 [0,2,0,0,0,0|1,0,0]=3 907 B11R1.23 COC(=O)C1=CC(F)=CN=C1 C-2951 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.23 COC(=O)C1=CC(N)=NC=N1 I-9515 [0,2,0,0,0,0|1,0,0]=3 909 B11R1.23 COC(=O)C1=CC(O)=CN=C1 P45785 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 Q66806 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 C-3476 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 G-5883 [0,2,0,0,0,0|1,0,0]=3 913 B11R1.23 COC(=O)C1=NC(F)=CC=C1 Q68381 [0,2,0,0,0,0|0,0,0]=2 914 B11R1.23 COC(=O)C1=NC(O)=NC=C1 S72664 [0,2,0,0,0,0|1,0,0]=3 915 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 E-3030 [0,2,0,0,0,0|0,0,0]=2 916 B11R1.23 COC(=O)C1=NC=CC(C)=C1 M15778 [0,2,0,0,0,0|0,0,0]=2 917 B11R1.23 COC(=O)C1=NC=CC(C)=N1 L14173 [0,2,0,0,0,0|1,0,0]=3 918 B11R1.23 COC(=O)C1=NC=CC(F)=C1 L22462 [0,2,0,0,0,0|0,0,0]=2 919 B11R1.23 COC(=O)C1=NC=CC(N)=C1 G-6744 [0,2,0,0,0,0|0,0,0]=2 920 B11R1.23 COC(=O)C1=NC=CC(N)=C1 M23610 [0,2,0,0,0,0|0,0,0]=2 921 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P44278 [0,2,0,0,0,0|1,0,0]=3 922 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 L14015 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 P37041 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 P37749 [0,2,0,0,0,0|1,0,0]=3 925 B11R1.23 NCC(=O)C1=CC=CC(F)=C1 P35035 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.23 NCC(=O)C1=CC=CC(O)=C1 P41173 [0,2,0,0,0,0|1,0,0]=3 927 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=N1 Q53157 [0,2,0,0,0,0|1,0,1]=4 928 B11R1.23 O=C(CBr)C1=NC=CC(Cl)=C1 O30189 [0,2,0,0,0,0|0,0,0]=2 929 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 O29576 [0,2,0,0,0,0|0,0,0]=2 930 B11R1.222 C#CC(=O)C1=CC=CC=C1Cl M23022 [0,2,0,0,0,0|1,0,1]=4 931 B11R1.222 CC1=CC=CC=C1C(=O)CBr O28087 [0,2,0,0,0,0|1,0,0]=3 932 B11R1.222 CC1=CC=CN=C1C(=O)CCl O30165 [0,2,0,0,0,0|0,0,0]=2 933 B11R1.222 CC1=CC=CN=C1\C(N)=N\N Q58363 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.222 CNC(=O)C1=CC=CC=C1Br P37075 [0,2,0,0,0,0|1,0,0]=3 935 B11R1.222 CNC(=O)C1=CC=CC=C1C O32523 [0,2,0,0,0,0|1,0,0]=3 936 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 N25636 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.222 COC(=O)C1=C(C)C=NC=C1 G-7865 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.222 COC(=O)C1=C(C)N=CC=C1 I-9174 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.222 COC(=O)C1=C(Cl)C=NC=C1 N25043 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.222 COC(=O)C1=C(F)C=NC=C1 G-7746 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.222 COC(=O)C1=C(F)N=CC=C1 Q66492 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.222 COC(=O)C1=C(I)C=NC=C1 G-6795 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.222 COC(=O)C1=C(N)C=NC=N1 Q65333 [0,2,0,0,0,0|1,0,0]=3 944 B11R1.222 COC(=O)C1=C(O)C=NC=C1 O30771 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.222 COC(=O)C1=CC=CN=C1Br Q67675 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.222 COC(=O)C1=CC=CN=C1I O30553 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.222 COC(=O)C1=CC=NC=C1N C-3596 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.222 COC(=O)C1=NC=CC=C1Cl Q68224 [0,2,0,0,0,0|0,0,0]=2 949 B11R1.222 COC(=O)C1=NC=CC=C1F Q68214 [0,2,0,0,0,0|0,0,0]=2 950 B11R1.222 COC(=O)C1=NC=CN=C1Br Q51827 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.222 COC(=O)C1=NC=CN=C1Cl C-3373 [0,2,0,0,0,0|1,0,0]=3 952 B11R1.222 COC(=O)C1=NC=CN=C1F L18388 [0,2,0,0,0,0|1,0,0]=3 953 B11R1.222 NCC(=O)C1=CC=CC=C1Br P35565 [0,2,0,0,0,0|1,0,0]=3 954 B11R1.222 NCC(=O)C1=CC=CC=C1Cl P40753 [0,2,0,0,0,0|1,0,0]=3 955 B11R1.222 NCC(=O)C1=CC=CC=C1O P37785 [0,2,0,0,0,0|1,0,0]=3 956 B11R1.222 O=C(CBr)C1=CC=CC=C1Br P37875 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.222 O=C(CCl)C1=NC=CC=C1F O32003 [0,2,0,0,0,0|0,0,0]=2 958 B11R1.222 O=C(CF)C1=CC=CC=C1F P51651 [0,2,0,0,0,0|1,0,0]=3 959 B11R1.87 CC(C)(N)C1=NC=CC=C1F Q69599 [0,2,0,0,0,0|1,0,1]=4 960 B11R1.87 CC1=CC=CN=C1S(N)(=O)=O P51681 [0,2,0,0,0,0|2,0,0]=4 961 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Br P51334 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.87 NS(=O)(=O)C1=NC=CC=C1Br P51748 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.87 NS(=O)(=O)C1=NC=CC=C1F Q58413 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.155 CC(C)(N)C1=NC(F)=CC=C1 Q69597 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.155 CC(F)(F)C1=CC=CC(Br)=N1 K12077 [0,2,0,0,0,0|1,0,1]=4 966 B11R1.155 CC1=CC(S(=O)(=O)Cl)=NC=C1 Q54179 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.155 CS(=O)(=O)C1=NC=CC(Br)=C1 Q62499 [0,2,0,0,0,0|1,0,0]=3 968 B11R1.155 CS(=O)(=O)C1=NC=CC(N)=C1 S72746 [0,2,0,0,0,0|1,0,0]=3 969 B11R1.155 NC1=CC=NC(S(N)(=O)=O)=C1 Q52577 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.155 NS(=O)(=O)C1=NC(Br)=CC=C1 P51680 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.155 O=S(=O)(Cl)C1=CC(Br)=CC=N1 Q54172 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.155 O=S(=O)(Cl)C1=NC(Br)=CC=C1 P51673 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.155 O=S(=O)(Cl)C1=NC(Cl)=CC=C1 P51675 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.155 O=S(=O)(Cl)C1=NC(F)=CC=C1 Q53117 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.53 C#CC1=CC=CC=C1C(=O)O O28760 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.53 C#CC1=CC=CC=C1C(C)=O O29479 [0,2,0,0,0,0|1,0,0]=3 977 B11R1.53 C#CC1=CC=CC=C1C(N)=O O29403 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.53 CC(C)C1=C(C=O)C=CC=N1 Q60359 [0,2,0,0,0,0|1,0,1]=4 979 B11R1.53 COC1=C(C(C)=O)C=NC=C1 O33511 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.53 COC1=C(C(C)=O)N=CC=C1 Q62300 [0,2,0,0,0,0|0,0,0]=2 981 B11R1.53 COC1=CC=CC=C1C(N)=O P39422 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.53 COC1=CC=CN=C1C(=O)O O31773 [0,2,0,0,0,0|1,0,0]=3 983 B11R1.53 COC1=NC=CC=C1C(C)=O P41710 [0,2,0,0,0,0|2,0,0]=4 984 B11R1.53 N#CC1=CC=CN=C1C(=O)O G-7848 [0,2,0,0,0,0|1,0,0]=3 985 B11R1.53 NCC1=CC=CC=C1C(=O)O O28742 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.53 O=C(O)C1=CC=CC=C1CO O34075 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.53 O=CC1=C(C(=O)O)N=CC=C1 Q60211 [0,2,0,0,0,0|1,0,0]=3 988 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl Q68333 [0,2,0,0,0,0|2,0,0]=4 989 B11R1.156 CC(=O)C1=C(I)C=CN=C1F N27716 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=C1 I-9230 [0,2,0,0,0,0|2,0,0]=4 991 B11R1.156 NC1=CC=CC(I)=C1C(=O)O O32252 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Br Q67512 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Br Q67183 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F C-3485 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1O Q66580 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.159 CC(=O)C1=C(F)C(Cl)=NC=C1 N26896 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 M23816 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O P49354 [0,2,0,0,0,0|1,0,0]=3 999 B11R1.159 CC1=C(C(N)=O)C=CC=C1Br N24536 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.159 CC1=C(F)C(C(=O)O)=CC=C1 Q67898 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 K16137 [0,2,0,0,0,0|1,0,1]=4 1002 B11R1.159 CC1=C(N)C(C(N)=O)=CC=C1 O30695 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.159 CC1=C(O)C([N+](=O)[O-])=NC=C1 Q52552 [0,2,0,0,0,0|2,0,0]=4 1004 B11R1.159 CC1=NC=NC(C(=O)O)=C1C Q60491 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.159 NC(=O)C1=CC=CC(N)=C1N G-7463 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.159 NC1=C(F)C(C(=O)O)=CC=C1 P35150 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.159 NC1=C(I)C=CC=C1C(=O)O O32276 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 N24320 [0,2,0,0,0,0|2,0,0]=4 1009 B11R1.159 O=C(O)C1=CC=CC(Br)=C1O P51774 [0,2,0,0,0,0|2,0,0]=4 1010 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O Q66616 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.159 O=C(O)C1=CC=CC(I)=C1F Q67650 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl S72554 [0,2,0,0,0,0|1,0,0]=3 1013 B11R1.159 O=C(O)C1=NC=NC(Cl)=C1F Q53531 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 Q54706 [0,2,0,0,0,0|0,0,0]=2 1015 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F G-7719 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.167 CC(=O)C1=CC(C)=CC=C1Br O29725 [0,2,0,0,0,0|1,0,0]=3 1017 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N26923 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1F P37541 [0,2,0,0,0,0|1,0,0]=3 1019 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1Br O31310 [0,2,0,0,0,0|2,0,0]=4 1020 B11R1.167 CC(=O)C1=CC(O)=CC=C1C N26381 [0,2,0,0,0,0|1,0,0]=3 1021 B11R1.167 CC(=O)C1=NC(Cl)=CN=C1N O32037 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.167 CC(C)C1=NC(Cl)=CC=C1Br Q62469 [0,2,0,0,0,0|1,0,1]=4 1023 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 L18299 [0,2,0,0,0,0|1,0,0]=3 1024 B11R1.167 CC1=C(C(=O)O)N=C(Cl)C=C1 P44204 [0,2,0,0,0,0|1,0,0]=3 1025 B11R1.167 CC1=CC=C(F)C(C(=O)O)=N1 O30076 [0,2,0,0,0,0|1,0,0]=3 1026 B11R1.167 CC1=CC=C(I)C=C1C(=O)O P43248 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 L22360 [0,2,0,0,0,0|1,0,0]=3 1028 B11R1.167 CC1=CC=C(N)C=C1C(=O)O P43309 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.167 CC1=CN=C(Cl)N=C1C(=O)O Q53304 [0,2,0,0,0,0|2,0,0]=4 1030 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 L18300 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 Q60885 [0,2,0,0,0,0|1,0,0]=3 1032 B11R1.167 CC1=NC=C(Cl)C(C(=O)O)=N1 G-7847 [0,2,0,0,0,0|2,0,0]=4 1033 B11R1.167 NC(=O)C1=CC(F)=CC=C1Br P43107 [0,2,0,0,0,0|2,0,0]=4 1034 B11R1.167 NC(=O)C1=NC(Br)=CC=C1F Q62404 [0,2,0,0,0,0|1,0,0]=3 1035 B11R1.167 NC(=O)C1=NC(Br)=CN=C1O 10632 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.167 NC(=O)C1=NC(Cl)=CNC1=O 10604 [0,2,0,0,0,0|2,0,0]=4 1037 B11R1.167 NC(=O)C1=NC(F)=CN=C1O F-4501 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.167 NC1=CC=C(Br)N=C1C(=O)O O34588 [0,2,0,0,0,0|1,0,0]=3 1039 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O G-5404 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O O34386 [0,2,0,0,0,0|1,0,0]=3 1041 B11R1.167 NC1=CN=C(Cl)N=C1C(=O)O P51239 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.167 NC1=NC=C(Br)N=C1C(=O)O P37901 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.167 NC1=NC=C(Cl)C(C(=O)O)=N1 M15563 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1F Q67078 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.167 O=C(O)C1=NC(Br)=CN=C1Br Q52652 [0,2,0,0,0,0|2,0,0]=4 1046 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Br G-7754 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1F P44595 [0,2,0,0,0,0|1,0,0]=3 1048 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br L21544 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.167 O=C(O)C1=NC(O)=CC=C1Cl Q60687 [0,2,0,0,0,0|1,0,0]=3 1050 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(Cl)=N1 F-4775 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.167 O=[N+]([O-])C1=NC(Br)=CC=C1O 10614 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 P43442 [0,2,0,0,0,0|1,0,0]=3 1053 B11R1.74 CC(=O)C1=CC(Cl)=CC(Br)=C1 N24889 [0,2,0,0,0,0|1,0,0]=3 1054 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 O31877 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.74 CC(=O)C1=CC(F)=CC(Br)=C1 O30551 [0,2,0,0,0,0|1,0,0]=3 1056 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 Q53148 [0,2,0,0,0,0|0,0,0]=2 1057 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 P37229 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 O31886 [0,2,0,0,0,0|1,0,0]=3 1059 B11R1.74 CC1=CC(C(=O)O)=NC(O)=C1 Q60690 [0,2,0,0,0,0|1,0,0]=3 1060 B11R1.74 CC1=CC(C)=NC(C(=O)O)=C1 Q60526 [0,2,0,0,0,0|1,0,0]=3 1061 B11R1.74 CC1=CC(C)=NC(C(=O)O)=N1 Q65314 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 O32304 [0,2,0,0,0,0|2,0,0]=4 1063 B11R1.74 CC1=NC(O)=CC(C(=O)O)=N1 P51502 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.74 NC(=O)C1=CC(Br)=CC(Br)=C1 Q67696 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.74 NC(=O)C1=NC(Cl)=NC(Cl)=C1 S72509 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.74 NC1=CC(C(=O)O)=NC(Br)=C1 Q53661 [0,2,0,0,0,0|1,0,0]=3 1067 B11R1.74 NC1=NC(Br)=CC(C(=O)O)=N1 Q53410 [0,2,0,0,0,0|2,0,0]=4 1068 B11R1.74 NC1=NC(Cl)=CC(C(=O)O)=N1 Q53411 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.74 NC1=NC(O)=CC(C(=O)O)=N1 M15195 [0,2,0,0,0,0|2,0,0]=4 1070 B11R1.74 O=C(Cl)C1=CC(F)=CC(Br)=C1 O29004 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 Q67862 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 Q62337 [0,2,0,0,0,0|1,0,0]=3 1073 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 O30874 [0,2,0,0,0,0|1,0,0]=3 1074 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 10758 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.74 O=C(O)C1=NC(F)=CC(Cl)=C1 Q62427 [0,2,0,0,0,0|1,0,0]=3 1076 B11R1.74 O=C(O)C1=NC(F)=CC(F)=C1 Q62424 [0,2,0,0,0,0|1,0,0]=3 1077 B11R1.74 O=C([O-])C1=NC(F)=CC(F)=C1 O33117 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 O28043 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.266 C#CC1=CC(C(C)=O)=CC=C1 O28811 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.266 C#CC1=CC(C(N)=O)=CC=C1 M23346 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.266 C=CC1=CC(C(=O)O)=CC=C1 P39070 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.266 CC(C)C1=NC(C#N)=CC=C1 C-3364 [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.266 CCC1=CC(C(=O)O)=CC=C1 P37036 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 Q60534 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.266 CCC1=CC=CC(C(=N)N)=N1 F-4589 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.266 CCC1=NC(C(=O)O)=CC=C1 Q60685 [0,2,0,0,0,0|1,0,0]=3 1087 B11R1.266 CNC1=CC(C(=O)O)=CC=C1 P37710 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.266 COC1=CC(C(C)=O)=NC=C1 O30173 [0,2,0,0,0,0|0,0,0]=2 1089 B11R1.266 COC1=CC=CC(C(=O)O)=N1 P39197 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.266 COC1=CC=CC(C(C)C)=N1 Q67092 [0,2,0,0,0,0|1,0,1]=4 1091 B11R1.266 COC1=NC(C(=O)O)=CC=N1 Q62605 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.266 COC1=NC(C(=O)O)=NC=C1 Q60646 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.266 COC1=NC=CC(C(C)=O)=C1 O30294 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 O31274 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.266 N#CC1=CC(C(N)=O)=CC=C1 P38673 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.266 NC(=O)C1=CC=CC(C=O)=C1 P41901 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 10633 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 O28911 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.266 NCC1=CC(C(N)=O)=CC=C1 O28730 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.266 NCC1=CC(C(N)=O)=NC=C1 Q62435 [0,2,0,0,0,0|1,0,0]=3 1101 B11R1.266 NNC1=CC(C(=O)O)=NC=C1 Q62382 [0,2,0,0,0,0|1,0,0]=3 1102 B11R1.266 O=C(O)C1=CC=CC(CS)=C1 P39077 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.266 O=CC1=NC(C(=O)O)=CC=C1 Q62315 [0,2,0,0,0,0|1,0,0]=3 1104 B11R2.10 BrC1=CC2=C(C=CC=N2)N1 P49186 [0,0,0,1,0,1|2,0,0]=4 1105 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 P49844 [0,0,0,1,0,1|1,0,1]=4 1106 B11R2.10 BrC1=CC2=NC=CC=C2O1 Q64356 [0,0,0,1,0,1|1,0,1]=4 1107 B11R2.10 BrC1=NC2=CC=CN=C2N1 O33203 [0,0,0,1,0,1|2,0,0]=4 1108 B11R2.10 CC1=CC2=C(N=CC=N2)N1 P48847 [0,0,0,1,0,1|2,0,0]=4 1109 B11R2.10 CC1=CC2=C(N=CN=C2)N1 G-7828 [0,0,0,1,0,1|2,0,0]=4 1110 B11R2.10 CC1=CC2=CC=CN=C2N1 C-3671 [0,0,0,1,0,1|1,0,0]=3 1111 B11R2.10 CC1=CC2=NC=CC=C2N1 O32885 [0,0,0,1,0,1|1,0,0]=3 1112 B11R2.10 CC1=CN2C=CC=NC2=N1 Q58547 [0,0,0,1,0,1|2,0,0]=4 1113 B11R2.10 ClC1=CC2=CC=CN=C2N1 P49655 [0,0,0,1,0,1|1,0,1]=4 1114 B11R2.10 IC1=CC2=C(C=CC=N2)N1 P49277 [0,0,0,1,0,1|2,0,0]=4 1115 B11R2.10 IC1=CC2=CC=CN=C2N1 G-6477 [0,0,0,1,0,1|1,0,1]=4 1116 B11R2.10 NC1=NC2=NC=CC=C2S1 L21559 [0,0,0,1,0,1|1,1,0]=4 1117 B11R2.10 O=C1CC2=C(C=NC=C2)N1 L14128 [0,0,0,1,0,1|2,0,0]=4 1118 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476 [0,0,0,1,0,1|0,0,0]=2 1119 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476-01 [0,0,0,1,0,1|0,0,0]=2 1120 B11R2.10 O=C1CC2=CC=NC=C2N1 C-2345 [0,0,0,1,0,1|2,0,0]=4 1121 B11R2.10 O=C1CC2=CN=CC=C2N1 C-3239 [0,0,0,1,0,1|2,0,0]=4 1122 B11R2.10 O=C1CC2=CN=CN=C2N1 L13290 [0,0,0,1,0,1|1,0,0]=3 1123 B11R2.10 O=C1CC2=NC=CC=C2N1 C-2343 [0,0,0,1,0,1|1,0,0]=3 1124 B11R2.10 O=C1CN2C=CC=CC2=N1 O31095 [0,0,0,1,0,1|0,0,1]=3 1125 B11R2.10 O=C1NC2=CC=CN=C2N1 Q70155 [0,0,0,1,0,1|1,0,0]=3 1126 B11R2.34 NC1=CC=C(C2CC2)N=C1 P42501 [0,1,0,1,0,0|1,0,1]=4 1127 B11R2.1 BrC1=CNC2=CC=CN=C12 O31587 [0,1,0,1,0,0|1,0,1]=4 1128 B11R2.1 BrC1=CSC2=CC=CN=C12 O33502 [0,1,0,1,0,0|1,0,1]=4 1129 B11R2.1 BrC1=NNC2=CC=CN=C21 G-6819 [0,1,0,1,0,0|2,0,0]=4 1130 B11R2.1 CC1=CNC2=C1C=CC=C2 I-9262 [0,1,0,1,0,0|2,0,0]=4 1131 B11R2.1 CC1=CNC2=C1N=CC=N2 P44096 [0,1,0,1,0,0|2,0,0]=4 1132 B11R2.1 CC1=CNC2=CC=CN=C12 O30970 [0,1,0,1,0,0|1,0,0]=3 1133 B11R2.1 CC1=NNC2=C1C=CC=C2 C-2144 [0,1,0,1,0,0|2,0,0]=4 1134 B11R2.1 CC1=NNC2=C1N=CC=N2 C-2877 [0,1,0,1,0,0|2,0,0]=4 1135 B11R2.1 CC1=NNC2=CC=CN=C21 C-3453 [0,1,0,1,0,0|1,0,0]=3 1136 B11R2.1 CC1=NOC2=CC=CC=C21 O30125 [0,1,0,1,0,0|1,0,1]=4 1137 B11R2.1 CN1C=CC2=C1N=CC=C2 P44494 [0,1,0,1,0,0|2,0,0]=4 1138 B11R2.1 CN1N=CC2=C1N=CC=C2 P44569 [0,1,0,1,0,0|2,0,0]=4 1139 B11R2.1 ClC1=NNC2=CC=CN=C21 O30920 [0,1,0,1,0,0|2,0,0]=4 1140 B11R2.1 IC1=CNC2=CC=CN=C12 P49843 [0,1,0,1,0,0|1,0,1]=4 1141 B11R2.1 IC1=NNC2=CC=CN=C21 G-7560 [0,1,0,1,0,0|2,0,0]=4 1142 B11R2.1 NC1=CNC2=CC=CN=C12 O29454 [0,1,0,1,0,0|1,0,1]=4 1143 B11R2.1 NC1=CSC2=CC=CN=C12 O30207 [0,1,0,1,0,0|1,0,1]=4 1144 B11R2.1 NC1=NNC2=CC=CN=C21 L18463 [0,1,0,1,0,0|2,0,0]=4 1145 B11R2.1 NC1=NOC2=CC=CN=C21 K10865 [0,1,0,1,0,0|1,0,1]=4 1146 B11R2.1 O=C1CCC2=C1C=CN=C2 L22316 [0,1,0,1,0,0|2,0,0]=4 1147 B11R2.1 O=C1CCC2=NC=CC=C12 G-6870 [0,1,0,1,0,0|2,0,0]=4 1148 B11R2.1 O=C1NCC2=C1C=CC=C2 I-9101 [0,1,0,1,0,0|1,0,0]=3 1149 B11R2.1 O=C1NCC2=C1CC=CC2 L18214 [0,1,0,1,0,0|1,0,1]=4 1150 B11R2.1 O=C1NCC2=CC=NC=C12 C-2838 [0,1,0,1,0,0|2,0,0]=4 1151 B11R2.1 O=C1SNC2=CC=CC=C12 L18705 [0,1,0,1,0,0|2,0,0]=4 1152 B11R2.40 NC1(C2=NC=CC=C2)CC1 P37811 [0,1,0,1,0,0|1,0,1]=4 1153 B11R2.239 C1=CN=C(C2CNC2)C=C1 P46398 [0,1,0,1,0,0|1,0,1]=4 1154 B11R2.55 ClC1=CC=CN=C1C2CC2 N25876 [0,1,0,1,0,0|1,0,1]=4 1155 B11R2.35 NC1=CC(C2CC2)=NC=C1 M23384 [0,1,0,1,0,0|1,0,1]=4 1156 B7R1.1 C(=O)C1=CN=CS1 Q52103 [1,0,0,0,1,0|2,0,0]=4 1157 B7R1.1 C=CC1=NNC=C1 L18271 [1,0,0,0,1,0|1,0,1]=4 1158 B7R1.1 COC1=NNC=C1 Q61554 [1,0,0,0,1,0|2,0,0]=4 1159 B7R1.1 CSC1=CC=CS1 Q67758 [1,0,0,0,1,0|2,0,0]=4 1160 B7R1.1 O=CC1=CN=CO1 I-9061 [1,0,0,0,1,0|2,0,0]=4 1161 B7R1.1 O=CC1=CNN=C1 C-2878 [1,0,0,0,1,0|2,0,0]=4 1162 B7R1.1 O=CC1=CNN=C1 G-5044 [1,0,0,0,1,0|2,0,0]=4 1163 B7R1.1 O=CC1=COC=N1 K12239 [1,0,0,0,1,0|1,0,0]=3 1164 B7R1.1 O=CC1=CSC=N1 Q68013 [1,0,0,0,1,0|1,0,0]=3 1165 B7R1.1 O=CC1=NNC=C1 O31194 [1,0,0,0,1,0|1,0,0]=3 1166 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,0,2|1,0,0]=3 1167 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,0,0,0,0,2|2,0,0]=4 1168 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,0,0,0,0,2|1,0,0]=3 1169 B11R1.91 O=C(O)CCC1=NC=CC=N1 Q60533 [0,0,0,0,0,2|2,0,0]=4 1170 B11R1.91 O=C(O)CCC1=NC=NC=C1 Q60531 [0,0,0,0,0,2|2,0,0]=4 1171 B11R1.91 O=C(O)CCC1=NN=CC=C1 P45064 [0,0,0,0,0,2|2,0,0]=4 1172 B11R1.91 O=C(O)CNC1=NC=CC=C1 P37612 [0,0,0,0,0,2|1,0,0]=3 1173 B11R1.91 O=C(O)CNC1=NC=CC=N1 P36004 [0,0,0,0,0,2|2,0,0]=4 1174 B11R1.91 O=C(O)COC1=CC=CC=N1 P50811 [0,0,0,0,0,2|1,0,0]=3 1175 B11R1.91 O=C(O)COC1=CC=CC=N1 Q60650 [0,0,0,0,0,2|1,0,0]=3 1176 B11R1.91 O=C(O)COC1=NC=CC=N1 Q60596 [0,0,0,0,0,2|2,0,0]=4 1177 B11R1.91 O=C(O)\C=C\C1=CC=NC=N1 Q58672 [0,0,0,0,0,2|2,0,0]=4 1178 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 O32453 [0,0,0,0,0,2|2,0,0]=4