0 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [0,0,0,0,0,0|0,1,0]=1 1 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [0,0,0,0,0,0|0,1,0]=1 2 B10R1.10 C1=CC(=CC(=C1)Cl)N=C=O 8145 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.10 C1=CC(=CC(=C1)F)CC#N 9476 [0,0,0,0,0,0|0,0,2]=2 4 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.10 CC1=CC(=CC=C1)N=C=S 8382 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.2 C1=CC(=CC(=C1)Br)C=O 8210 [1,0,0,0,0,0|1,1,1]=4 7 B9R1.2 C1=CC(=CC(=C1)Br)CN 9996 [1,0,0,0,0,0|0,1,0]=2 8 B9R1.2 C1=CC(=CC(=C1)Br)NN 10008 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.2 C1=CC(=CC(=C1)Cl)NN 9850 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.2 C1=CC(=CC(=C1)F)C#N 8577 [1,0,0,0,0,0|0,0,2]=3 11 B9R1.2 C1=CC(=CC(=C1)F)C=O 9272 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.2 C1=CC(=CC(=C1)F)CO 6086 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.2 C1=CC(=CC(=C1)F)NN 5986 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.2 C1=CC(=CC(=C1)I)C#N 9764 [1,0,0,0,0,0|0,1,2]=4 15 B9R1.2 C1=CC(=CC(=C1)I)C=O 9442 [1,0,0,0,0,0|1,1,1]=4 16 B9R1.2 C1=CC(=CC(=C1)N)C#N 6460 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.2 C1=CC(=NC(=C1)Cl)NN 9591 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.2 C1=CN=C(C=C1CO)Br 8980 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.2 C1=CN=C(C=C1Cl)CO 9975 [1,0,0,0,0,0|2,1,0]=4 20 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.2 CC1=CC=CC(=C1)C=O 8187 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.2 COC1=CC(=CC=C1)F 5384 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.2 COC1=CC(=CC=C1)S 5358 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.2 COC1=CC(=CN=C1)Br 10627 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.2 COC1=CC(=CN=C1)Br 5648 [1,0,0,0,0,0|2,1,0]=4 26 B9R1.2 COC1=CC=CC(=C1)N 9172 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.2 COC1=NC(=CC=C1)Br 6692 [1,0,0,0,0,0|2,1,0]=4 28 B9R1.2 COC1=NC(=CC=C1)Cl 8886 [1,0,0,0,0,0|2,1,0]=4 29 B9R1.2 COc1cccc(c1)Br B0420 [1,0,0,0,0,0|1,1,0]=3 30 B9R1.2 COc1cccc(c1)Cl C0028 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.2 CSC1=CC(=CC=C1)Cl 5596 [1,0,0,0,0,0|1,1,0]=3 32 B9R1.2 CSC1=CC=CC(=C1)F 9504 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.2 CSC1=CC=CC(=C1)N 6516 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 CCCC1=CC=NC=C1 8669 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 c1cnccc1CCN A0195 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 c1cnccc1CCN P0148 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.13 C1=CC(=C(C(=C1)Cl)F)CC#N 9241 [0,1,0,0,0,0|0,1,2]=4 44 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN 9266 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN 9274 [0,1,0,0,0,0|1,1,1]=4 46 B11R1.23 CCC(=O)C1=CC(=CC=C1)F 5174 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.24 C1=CC(=CC(=C1)F)CN=C=S 9469 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O 6004 [0,1,0,0,0,0|1,1,1]=4 49 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O 10404 [0,1,0,0,0,0|1,1,1]=4 50 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)[O-] 10031 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.157 C1=CC(=CC(=C1)N)CC(=O)O 8680 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O 10176 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.157 CC(=O)NC1=CC(=CC=C1)F 8345 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.182 C1=CC(=C(C=C1Cl)CC#N)F 6262 [0,1,0,0,0,0|0,1,2]=4 55 B11R1.182 C1=CC(=C(C=C1F)CC#N)F 8380 [0,1,0,0,0,0|0,0,2]=3 56 B11R1.182 CC1=C(C=C(C=C1)F)CC#N 9251 [0,1,0,0,0,0|0,0,2]=3 57 B11R1.189 CCOC1=CC=CC(=C1)C=O 8953 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)Cl 10129 [0,1,0,0,0,0|0,1,2]=4 59 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)F 6261 [0,1,0,0,0,0|0,1,2]=4 60 B11R1.192 C1=CC(=C(C=C1CC#N)F)F 8936 [0,1,0,0,0,0|0,0,2]=3 61 B11R1.192 c1cc(c(cc1CC#N)F)Cl B0276 [0,1,0,0,0,0|0,0,2]=3 62 B11R2.36 C1=CC(=CC2=C1C=CN2)F 10188 [0,0,0,1,0,0|2,0,1]=4 63 B11R2.36 C1=CC(=CC2=C1C=CN2)F 8532 [0,0,0,1,0,0|2,0,1]=4 64 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 6671 [0,0,0,1,0,0|1,1,1]=4 65 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl 6668 [0,0,0,1,0,0|0,1,2]=4 66 B11R2.36 C1=CC2=C(C=CN2)C=C1F 8339 [0,0,0,1,0,0|0,0,2]=3 67 B11R2.36 C1=CC2=C(C=CN2)C=C1I 10534 [0,0,0,1,0,0|0,1,2]=4 68 B11R2.36 C1=CC2=C(C=CN2)C=C1N 9468 [0,0,0,1,0,0|1,0,2]=4 69 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [0,0,0,1,0,0|0,1,0]=2 70 B11R2.36 C1OC2=C(O1)C=C(C=C2)N 9966 [0,0,0,1,0,0|3,0,0]=4 71 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [0,0,0,1,0,0|0,0,0]=1 72 B11R2.36 c1cc2c(cc[nH]2)cc1F F0451 [0,0,0,1,0,0|0,0,2]=3 73 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 6463 [0,0,0,1,0,0|0,1,2]=4 74 B8R1.2 C1=CC(=CN=C1)CCl 5990 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 C1=CC(=CN=C1)CN 10146 [2,0,0,0,0,0|1,0,0]=3 76 B8R1.2 C1=CC(=CN=C1)CO 8600 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.2 C1=CC=NC(=C1)CCl 10463 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 C1=CC=NC(=C1)CN 5496 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.2 C1=CN=CC=C1CCl 8451 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 COC1=CC=CC=N1 9619 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.2 COC1=CC=NC=C1 10117 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.4 C1=C(C=NC=C1Br)F 5671 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.4 C1=C(C=NC=C1Cl)F 8265 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.4 C1=C(C=NC=C1F)F 5685 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.4 C1=C(C=NC=C1F)N 6698 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.4 C1=CC(=CC(=C1)Br)Br 5153 [2,0,0,0,0,0|1,1,0]=4 88 B8R1.4 C1=CC(=CC(=C1)Br)N 8582 [2,0,0,0,0,0|0,1,0]=3 89 B8R1.4 C1=CC(=CC(=C1)Br)N 8583 [2,0,0,0,0,0|0,1,0]=3 90 B8R1.4 C1=CC(=CC(=C1)Br)S 5283 [2,0,0,0,0,0|1,1,0]=4 91 B8R1.4 C1=CC(=CC(=C1)Cl)O 10156 [2,0,0,0,0,0|1,1,0]=4 92 B8R1.4 C1=CC(=CC(=C1)F)F 6015 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.4 C1=CC(=CC(=C1)I)Br 5550 [2,0,0,0,0,0|1,1,0]=4 94 B8R1.4 C1=CC(=CC(=C1)I)F 8911 [2,0,0,0,0,0|1,0,0]=3 95 B8R1.4 C1=CC(=CC(=C1)I)O 9915 [2,0,0,0,0,0|1,1,0]=4 96 B8R1.4 C1=CC(=NC(=C1)Cl)F 5672 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.4 C1=CC(=NC(=C1)Cl)N 5316 [2,0,0,0,0,0|1,1,0]=4 98 B8R1.4 C1=CC(=NC(=C1)F)F 10361 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.4 C1=CC(=NC(=C1)F)N 5229 [2,0,0,0,0,0|1,0,0]=3 100 B8R1.4 C1=CC(=NC(=C1)N)N 6752 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.4 C1=CC(=O)NC(=C1)F 6665 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.4 C1=CN=C(C=C1Br)F 6500 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.4 C1=CN=C(C=C1Br)N 8459 [2,0,0,0,0,0|1,1,0]=4 104 B8R1.4 C1=CN=C(C=C1I)F 8362 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.4 C1=CN=C(C=C1N)Br 9320 [2,0,0,0,0,0|1,1,0]=4 106 B8R1.4 C1=CN=C(C=C1N)Cl 5451 [2,0,0,0,0,0|1,1,0]=4 107 B8R1.4 CC1=CC(=CC=C1)Br 9432 [2,0,0,0,0,0|0,1,0]=3 108 B8R1.4 CC1=CC(=CC=C1)I 8771 [2,0,0,0,0,0|0,1,0]=3 109 B8R1.4 CC1=CC(=CN=C1)N 8645 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.4 CC1=CC(=NC=C1)Br 9012 [2,0,0,0,0,0|1,1,0]=4 111 B8R1.4 CC1=CC(=NC=C1)Cl 5069 [2,0,0,0,0,0|1,1,0]=4 112 B8R1.4 CC1=CC(=NC=C1)F 5561 [2,0,0,0,0,0|1,0,0]=3 113 B8R1.4 CC1=CC(=NC=C1)F 6308 [2,0,0,0,0,0|1,0,0]=3 114 B8R1.4 CC1=NC(=CC=C1)Br 5660 [2,0,0,0,0,0|1,1,0]=4 115 B8R1.4 CC1=NC(=CC=C1)Cl 5070 [2,0,0,0,0,0|1,1,0]=4 116 B8R1.4 CC1=NC(=CC=C1)F 9658 [2,0,0,0,0,0|1,0,0]=3 117 B8R1.4 CC1=NC=CC(=C1)N 6613 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.4 c1cc(cc(c1)Br)F B0235 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.2 C1=CC(=C(C(=C1)Cl)F)CN 6252 [1,1,0,0,0,0|0,1,0]=3 120 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C#N 6689 [1,1,0,0,0,0|0,0,2]=4 121 B10R1.2 C1=CC(=C(C(=C1)F)F)C#N 6064 [1,1,0,0,0,0|0,0,2]=4 122 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O 6063 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.2 C1=CC(=C(C(=C1)F)F)CBr 9909 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.2 CC1=C(C(=CC=C1)CN)C 6546 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.2 CC1=C(C=CC=C1Cl)CN 6533 [1,1,0,0,0,0|0,1,0]=3 126 B10R1.2 CC1=C(C=CC=C1F)C=O 9593 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.2 COC1=C(C(=CC=C1)Cl)F 9762 [1,1,0,0,0,0|1,1,0]=4 128 B10R1.2 COC1=C(C(=CC=C1)F)Br 9813 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.2 COC1=C(C(=CC=C1)F)F 5984 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.8 C1=C(C=C(C=C1F)Br)C#N 6488 [1,1,0,0,0,0|0,0,2]=4 131 B10R1.8 C1=C(C=C(C=C1F)Br)C=O 6486 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.8 C1=C(C=C(C=C1F)F)C#N 5396 [1,1,0,0,0,0|0,0,2]=4 133 B10R1.8 C1=C(C=C(C=C1F)F)C=O 10353 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.8 C1=C(C=C(C=C1F)F)CN 5621 [1,1,0,0,0,0|0,0,0]=2 135 B10R1.8 C1=C(C=C(C=C1F)F)CO 5620 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.8 C1=C(C=C(C=C1N)F)C#N 10089 [1,1,0,0,0,0|0,0,2]=4 137 B10R1.8 CCC1=CC(=CC(=C1)F)F 8659 [1,1,0,0,0,0|0,0,0]=2 138 B10R1.8 COC1=CC(=CC(=C1)F)F 5612 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.8 COC1=CC(=CC(=C1)F)F 6102 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.8 COc1cc(cc(c1)Br)N B0462 [1,1,0,0,0,0|1,1,0]=4 141 B10R1.8 CSC1=CC(=CC(=C1)Cl)Cl 8512 [1,1,0,0,0,0|1,1,0]=4 142 B10R1.8 c1c(cc(cc1F)F)C=O D0345 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.30 C1=CC(=C(C=C1Cl)CN)F 9760 [1,1,0,0,0,0|0,1,0]=3 144 B10R1.30 C1=CC(=C(C=C1F)C#N)Br 6487 [1,1,0,0,0,0|0,0,2]=4 145 B10R1.30 C1=CC(=C(C=C1F)C#N)F 9298 [1,1,0,0,0,0|0,0,2]=4 146 B10R1.30 C1=CC(=C(C=C1F)C=O)O 10080 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.30 C1=CC(=C(C=C1F)CBr)Br 9632 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.30 C1=CC(=C(C=C1F)CBr)F 8216 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.30 C1=CC(=C(C=C1F)CCl)F 9199 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.30 C1=CC(=C(C=C1F)CN)F 6209 [1,1,0,0,0,0|0,0,0]=2 151 B10R1.30 C1=CC(=C(C=C1F)CO)Br 8036 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.30 C1=CC(=C(C=C1F)CO)F 6070 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.30 CC1=C(C=C(C=C1)Cl)CN 6534 [1,1,0,0,0,0|0,1,0]=3 154 B10R1.30 CC1=C(C=C(C=C1)F)CBr 8570 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.30 COC1=C(C=CC(=C1)Br)Cl 9742 [1,1,0,0,0,0|1,1,0]=4 156 B10R1.30 COC1=C(C=CC(=C1)Br)F 5237 [1,1,0,0,0,0|1,1,0]=4 157 B10R1.30 COC1=C(C=CC(=C1)Br)N 5264 [1,1,0,0,0,0|1,1,0]=4 158 B10R1.30 COC1=C(C=CC(=C1)Br)O 6868 [1,1,0,0,0,0|1,1,0]=4 159 B10R1.30 COC1=C(C=CC(=C1)F)F 8359 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.30 c1cc(c(cc1F)CBr)Cl C0029 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.113 B(C1=CC(=CC=C1)F)(O)O 5003 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F 8828 [1,1,0,0,0,0|1,1,0]=4 163 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.113 C1=CC(=CC(=C1)F)[N+](=O)[O-] 5276 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [1,1,0,0,0,0|0,1,1]=4 167 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [1,1,0,0,0,0|0,0,1]=3 168 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [1,1,0,0,0,0|0,1,1]=4 169 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.172 COC1=CC(=CC=C1)SC 6568 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.172 COC1=CC=CC(=C1)C#N 8238 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.172 COC1=CC=CC(=C1)CCl 8952 [1,1,0,0,0,0|1,1,0]=4 173 B10R1.176 C1=CC(=C(C=C1C#N)F)Cl 6471 [1,1,0,0,0,0|0,0,2]=4 174 B10R1.176 C1=CC(=C(C=C1C#N)F)F 6081 [1,1,0,0,0,0|0,0,2]=4 175 B10R1.176 C1=CC(=C(C=C1C#N)F)I 9562 [1,1,0,0,0,0|0,0,2]=4 176 B10R1.176 C1=CC(=C(C=C1C#N)F)N 5472 [1,1,0,0,0,0|0,0,2]=4 177 B10R1.176 C1=CC(=C(C=C1C=O)F)Br 9383 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.176 C1=CC(=C(C=C1C=O)F)F 5614 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.176 C1=CC(=C(C=C1C=O)F)O 9932 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl 6739 [1,1,0,0,0,0|1,1,0]=4 181 B10R1.176 C1=CC(=C(C=C1CBr)F)Cl 6576 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.176 C1=CC(=C(C=C1CCl)F)F 5398 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.176 C1=CC(=C(C=C1CN)Cl)F 8697 [1,1,0,0,0,0|0,1,0]=3 184 B10R1.176 C1=CC(=C(C=C1CO)Br)O 9541 [1,1,0,0,0,0|1,1,0]=4 185 B10R1.176 C1=CC(=C(C=C1CO)Cl)F 5350 [1,1,0,0,0,0|1,1,0]=4 186 B10R1.176 C1=CC(=C(C=C1CO)F)Cl 6586 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.176 C1=CC(=C(C=C1CO)F)F 5618 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.176 CC1=C(C=C(C=C1)C#N)F 9664 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6278 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6279 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.176 CC1=C(C=C(C=C1)CBr)F 8915 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.176 CC1=C(C=C(C=C1)CN)C 6547 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.176 CC1=C(C=C(C=C1)CN)F 8324 [1,1,0,0,0,0|0,0,0]=2 194 B10R1.176 CC1=C(C=C(C=C1)CO)F 8904 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.176 CC1=C(C=C(C=C1)OC)Cl 8676 [1,1,0,0,0,0|1,1,0]=4 196 B10R1.176 CC1=C(C=CC(=C1)CBr)F 9893 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.176 CC1=C(C=CC(=C1)CN)F 8722 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.176 COC1=CC(=C(C=C1)Br)F 5203 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.176 COC1=CC(=C(C=C1)Cl)Br 8084 [1,1,0,0,0,0|1,1,0]=4 200 B10R1.176 COC1=CC(=C(C=C1)F)F 5159 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.176 COC1=CC(=C(C=C1)O)Br 8831 [1,1,0,0,0,0|1,1,0]=4 202 B10R1.176 c1cc(c(cc1CN)F)Cl C0229 [1,1,0,0,0,0|0,0,0]=2 203 B10R1.1 C1=CC(=CC=C1CC#N)Cl 6796 [1,1,0,0,0,0|0,0,2]=4 204 B10R1.1 C1=CC(=CC=C1CC#N)F 10336 [1,1,0,0,0,0|0,0,2]=4 205 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [1,1,0,0,0,0|0,0,0]=2 207 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [1,1,0,0,0,0|0,0,0]=2 208 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [1,1,0,0,0,0|0,0,0]=2 209 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [1,1,0,0,0,0|0,0,0]=2 212 B10R1.4 C1=CC=C(C(=C1)CC#N)F 5147 [1,1,0,0,0,0|0,0,2]=4 213 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [1,1,0,0,0,0|0,0,0]=2 214 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,1,0,0,0,0|0,0,1]=3 217 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [1,1,0,0,0,0|0,0,2]=4 218 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [1,1,0,0,0,0|0,0,0]=2 219 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [1,1,0,0,0,0|0,0,1]=3 220 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.17 CCNCC1=CC=NC=C1 8861 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.17 CNCCC1=CC=CC=N1 10522 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.17 CNCCC1=CC=CC=N1 6724 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O 6065 [0,2,0,0,0,0|1,0,1]=4 228 B12R1.542 CCOC1=C(C(=CC=C1)F)C#N 9515 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F 6293 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.354 C1=CC(=C(C=C1F)C(=O)CCl)F 6828 [0,2,0,0,0,0|1,0,1]=4 231 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F 5961 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F 6217 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl 5581 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.50 COC(=O)CC1=CC(=CC=C1)F 8246 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O 6537 [0,2,0,0,0,0|1,1,0]=4 236 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O 10329 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.385 CC1=C(C=C(C=C1)NCCO)O 8141 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.385 CCCCC1=CC(=C(C=C1)I)C 9757 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.101 C1=C(C=C(C=C1F)F)CC(=O)O 5172 [0,2,0,0,0,0|1,0,1]=4 240 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Br 10654 [0,2,0,0,0,0|1,0,1]=4 241 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Cl 9590 [0,2,0,0,0,0|1,0,1]=4 242 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F 5630 [0,2,0,0,0,0|1,0,1]=4 243 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)F 9243 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.119 C1=CC(=CC(=C1)F)OC(F)(F)F 6649 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Br 10293 [0,2,0,0,0,0|1,0,1]=4 246 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Cl 10407 [0,2,0,0,0,0|1,0,1]=4 247 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)F 5420 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.1123 C1=C(C(=CC(=C1F)F)F)CC#N 9904 [0,2,0,0,0,0|0,0,2]=4 249 B10R1.25 C1=CC(=C(C=C1F)Cl)CN 6194 [0,0,1,1,0,0|1,0,1]=4 250 B10R1.25 C1=CC(=C(C=C1F)F)CN 5064 [0,0,1,1,0,0|1,0,1]=4 251 B10R1.25 Cc1cc(ccc1CN)F F0029 [0,0,1,1,0,0|0,0,2]=4 252 B10R1.245 C1=CC(=C(C(=C1)Cl)CN)F 8913 [0,0,1,1,0,0|1,0,1]=4 253 B10R1.245 C1=CC(=C(C(=C1)F)CN)F 5399 [0,0,1,1,0,0|1,0,1]=4 254 B10R1.245 C1=CC(=C(C(=C1)F)CN)N 10115 [0,0,1,1,0,0|1,0,1]=4 255 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|1,0,0]=3 256 B10R2.7 c1ccc2c(c1)OCO2 B0143 [1,0,0,1,0,0|2,0,0]=4 257 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)F 9344 [0,1,0,1,0,0|1,0,1]=4 258 B12R2.24 C1CCC2=C(C1)C=CC(=C2)O 10174 [0,1,0,1,0,0|2,0,0]=4 259 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,1,0,1,0,0|1,0,0]=3 260 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.246 c1c[nH]c2c1cc(cc2F)Br B2558 [0,1,0,1,0,0|0,0,2]=4 262 B12R2.246 c1c[nH]c2c1cc(cc2F)Br F5682 [0,1,0,1,0,0|0,0,2]=4 263 B12R2.606 C1=CC2=C(C=C1F)SC(=N2)N 6402 [0,1,0,1,0,0|1,0,1]=4 264 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [0,1,0,1,0,0|0,1,1]=4 265 B12R2.221 c1cc(c2cc[nH]c2c1F)Br F5649 [0,1,0,1,0,0|0,0,2]=4 266 B12R2.44 C1COC2=C1C=C(C=C2)C=O 9307 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.8 C1=C(NC=N1)CCN 8849 [1,0,0,0,1,0|2,0,0]=4