0 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 31312 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 31317 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.30 C=CC1=C(Br)C=CC(F)=C1 16646 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.30 CC1=C(C#N)C=C(Br)C=C1 30796 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.30 CC1=C(C#N)C=C(Cl)C=C1 12504 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.30 CC1=C(C#N)C=C(F)C=C1 1551 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.30 CC1=C(C#N)C=C(N)C=C1 28708 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.30 CC1=C(C#N)C=C(O)C=C1 33444 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 10353 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 33750 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.30 CC1=C(C=O)C=C(F)C=C1 1458 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.30 CC1=C(C=O)C=C(I)C=C1 26001 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.30 CC1=C(C=O)C=C(O)C=C1 30957 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.30 CC1=C(CBr)C=C(F)C=C1 4927 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.30 CC1=C(CBr)C=C(I)C=C1 13831 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.30 CC1=C(CCl)C=C(F)C=C1 4926 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.30 CC1=C(CO)C=C(Br)C=C1 44861 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.30 CC1=C(NN)C=C(F)C=C1 1087 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.30 CC1=CC(C#N)=C(Br)C=C1 14563 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.30 CC1=CC(C#N)=C(Br)N=C1 33674 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.30 CC1=CC(C#N)=C(Cl)C=C1 14562 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.30 CC1=CC(C#N)=C(Cl)N=C1 33727 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.30 CC1=CC(C#N)=C(F)C=C1 1552 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.30 CC1=CC(C#N)=C(N)C=C1 17447 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.30 CC1=CC(C#N)=C(O)C=C1 27632 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 16748 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.30 CC1=CC(C=O)=C(F)C=C1 1452 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.30 CC1=CC(C=O)=C(F)N=C1 17125 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.30 CC1=CC(C=O)=C(N)N=C1 27245 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.30 CC1=CC(CBr)=C(C)C=C1 31376 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.30 CC1=CC(CN)=C(C)C=C1 7405 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.30 CC1=CC(NN)=C(C)C=C1 6400 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.30 CC1=CC=C(O)C(C=O)=C1 15680 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.30 CC1=CC=C(O)C(C=O)=N1 33531 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.30 CC1=CN=C(N)C(C#N)=C1 5583 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 2213 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.30 CCC1=C(F)C=CC(O)=C1 27790 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.30 CCC1=C(I)C=CC(Br)=C1 3773 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.30 CCC1=C(N)C=CC(Br)=C1 23174 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.30 CCC1=C(N)C=CC(Br)=C1 3769 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.30 CCC1=NC(C)=CC=C1O 35102 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.30 CNC1=C(O)C=CC(N)=C1 20872 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.30 CNC1=CC(Br)=CC=C1N 18337 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [0,0,0,0,0,0|1,0,0]=1 52 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [0,0,0,0,0,0|1,0,0]=1 57 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.30 COC1=C(Cl)N=CC(N)=C1 22114 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [0,0,0,0,0,0|1,0,0]=1 65 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [0,0,0,0,0,0|2,0,0]=2 75 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [0,0,0,0,0,0|1,0,0]=1 79 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [0,0,0,0,0,0|1,0,0]=1 80 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [0,0,0,0,0,0|1,0,0]=1 81 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [0,0,0,0,0,0|1,0,0]=1 82 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [0,0,0,0,0,0|1,0,0]=1 83 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [0,0,0,0,0,0|1,0,0]=1 84 B10R1.30 COC1=CC(Br)=CN=C1Cl 35568 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.30 COC1=CC(Br)=CN=C1I 26836 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.30 COC1=CC(Cl)=CN=C1Br 5915 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.30 COC1=CC(I)=CN=C1Br 28124 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.30 COC1=CC(I)=CN=C1I 28122 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.30 COC1=NC(Br)=CC=C1N 21956 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.30 COC1=NC(Br)=CN=C1Br 27766 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.30 COC1=NC(Br)=CN=C1N 23582 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.30 COC1=NC(C)=CC=C1Br 8122 [0,0,0,0,0,0|2,0,0]=2 93 B10R1.30 COC1=NC(C)=CC=C1F 6585 [0,0,0,0,0,0|2,0,0]=2 94 B10R1.30 COC1=NC(C)=CC=C1N 1266 [0,0,0,0,0,0|2,0,0]=2 95 B10R1.30 COC1=NC(C)=NC=C1N 22765 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.30 ClC1=C(CBr)C=C(I)C=C1 25801 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 10208 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.30 ClCC1=C(Cl)C=CC(Br)=C1 22498 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.30 ClCC1=C(Cl)C=CC(I)=C1 27444 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.30 FC1=C(CBr)C=C(Br)C=C1 25800 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.30 FC1=C(CBr)C=C(Cl)C=C1 4899 [0,0,0,0,0,0|4,0,0]=4 102 B10R1.30 FC1=CC(CBr)=C(Br)C=C1 1953 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.30 FC1=CC(CBr)=C(Cl)C=C1 7498 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.30 FC1=CC(CBr)=C(F)C=C1 10213 [0,0,0,0,0,0|4,0,0]=4 105 B10R1.30 FC1=CC(CCl)=C(Br)C=C1 1952 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.30 N#CC1=C(Br)C=CC(Cl)=C1 24744 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.30 N#CC1=C(Br)C=CC(F)=C1 3218 [0,0,0,0,0,0|4,0,0]=4 108 B10R1.30 N#CC1=C(Br)C=CC(I)=C1 28721 [0,0,0,0,0,0|4,0,0]=4 109 B10R1.30 N#CC1=C(Br)C=CC(N)=C1 26438 [0,0,0,0,0,0|4,0,0]=4 110 B10R1.30 N#CC1=C(Br)C=CC(O)=C1 9770 [0,0,0,0,0,0|4,0,0]=4 111 B10R1.30 N#CC1=C(Cl)C=CC(Br)=C1 4695 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.30 N#CC1=C(Cl)C=CC(Cl)=C1 3687 [0,0,0,0,0,0|4,0,0]=4 113 B10R1.30 N#CC1=C(Cl)C=CC(F)=C1 1558 [0,0,0,0,0,0|4,0,0]=4 114 B10R1.30 N#CC1=C(Cl)C=CC(I)=C1 1590 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.30 N#CC1=C(Cl)C=CC(N)=C1 20454 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.30 N#CC1=C(Cl)C=CC(O)=C1 28120 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.30 N#CC1=C(F)C=CC(Br)=C1 1582 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.30 N#CC1=C(F)C=CC(Cl)=C1 1581 [0,0,0,0,0,0|4,0,0]=4 119 B10R1.30 N#CC1=C(F)C=CC(F)=C1 4754 [0,0,0,0,0,0|4,0,0]=4 120 B10R1.30 N#CC1=C(F)C=CC(I)=C1 4779 [0,0,0,0,0,0|4,0,0]=4 121 B10R1.30 N#CC1=C(F)C=CC(N)=C1 2554 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.30 N#CC1=C(F)C=CC(O)=C1 28108 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.30 N#CC1=C(I)C=CC(Br)=C1 3790 [0,0,0,0,0,0|4,0,0]=4 124 B10R1.30 N#CC1=C(I)C=CC(F)=C1 24331 [0,0,0,0,0,0|4,0,0]=4 125 B10R1.30 N#CC1=C(N)C=CC(Br)=C1 4602 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.30 N#CC1=C(N)C=CC(Cl)=C1 15691 [0,0,0,0,0,0|4,0,0]=4 127 B10R1.30 N#CC1=C(N)C=CC(F)=C1 4641 [0,0,0,0,0,0|4,0,0]=4 128 B10R1.30 N#CC1=C(N)C=CC(I)=C1 15845 [0,0,0,0,0,0|4,0,0]=4 129 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 3782 [0,0,0,0,0,0|3,0,0]=3 130 B10R1.30 N#CC1=C(O)C=CC(Cl)=C1 33422 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.30 N#CC1=C(O)C=CC(I)=C1 20368 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.30 N#CC1=C(O)N=CC(Br)=C1 17540 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.30 N#CC1=C(O)N=CC(I)=C1 19531 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 19693 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 16498 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 16499 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 7364 [0,0,0,0,0,0|4,0,0]=4 138 B10R1.30 NC1=C(CO)C=C(Cl)C=C1 24123 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 28794 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.30 NCC1=C(Br)C=CC(F)=C1 3225 [0,0,0,0,0,0|4,0,0]=4 141 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 23431 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 31261 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.30 NCC1=C(Cl)C=CC(F)=C1 4371 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.30 NCC1=C(F)C=CC(Br)=C1 3227 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 4378 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.30 NCC1=C(F)C=CC(F)=C1 4401 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.30 NCc1cc(Br)ccc1Br 31252 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.30 NNC1=C(Cl)C=CC(Cl)=C1 7525 [0,0,0,0,0,0|4,0,0]=4 149 B10R1.30 NNC1=C(Cl)C=CC(F)=C1 28905 [0,0,0,0,0,0|4,0,0]=4 150 B10R1.30 NNC1=C(F)C=CC(Cl)=C1 4471 [0,0,0,0,0,0|4,0,0]=4 151 B10R1.30 NNC1=C(F)C=CC(F)=C1 1082 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.30 NNC1=C(F)C=CC(F)=C1 2467 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 30882 [0,0,0,0,0,0|4,0,0]=4 154 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 19849 [0,0,0,0,0,0|4,0,0]=4 155 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 1418 [0,0,0,0,0,0|4,0,0]=4 156 B10R1.30 O=CC1=C(Br)C=CC(I)=C1 30930 [0,0,0,0,0,0|4,0,0]=4 157 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 14430 [0,0,0,0,0,0|4,0,0]=4 158 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 10373 [0,0,0,0,0,0|4,0,0]=4 159 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 3081 [0,0,0,0,0,0|4,0,0]=4 160 B10R1.30 O=CC1=C(Cl)C=CC(F)=C1 1410 [0,0,0,0,0,0|4,0,0]=4 161 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 30918 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 2879 [0,0,0,0,0,0|4,0,0]=4 163 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 1411 [0,0,0,0,0,0|4,0,0]=4 164 B10R1.30 O=CC1=C(F)C=CC(F)=C1 1437 [0,0,0,0,0,0|4,0,0]=4 165 B10R1.30 O=CC1=C(F)C=CC(I)=C1 4222 [0,0,0,0,0,0|4,0,0]=4 166 B10R1.30 O=CC1=C(F)C=CC(O)=C1 16486 [0,0,0,0,0,0|4,0,0]=4 167 B10R1.30 O=CC1=C(I)C=CC(Br)=C1 17023 [0,0,0,0,0,0|4,0,0]=4 168 B10R1.30 O=CC1=C(I)C=CC(Cl)=C1 22997 [0,0,0,0,0,0|4,0,0]=4 169 B10R1.30 O=CC1=C(I)C=CC(F)=C1 1441 [0,0,0,0,0,0|4,0,0]=4 170 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 3779 [0,0,0,0,0,0|3,0,0]=3 171 B10R1.30 O=CC1=C(O)C=CC(F)=C1 1444 [0,0,0,0,0,0|3,0,0]=3 172 B10R1.30 O=CC1=C(O)C=CC(I)=C1 22695 [0,0,0,0,0,0|3,0,0]=3 173 B10R1.30 O=CC1=C(O)C=CC(O)=C1 2285 [0,0,0,0,0,0|3,0,0]=3 174 B10R1.30 O=CC1=CC(Cl)=CC=C1O 8203 [0,0,0,0,0,0|3,0,0]=3 175 B10R1.30 O=CC1=CC(Cl)=NC=C1O 23615 [0,0,0,0,0,0|4,0,0]=4 176 B10R1.30 OCC1=C(Br)C=CC(F)=C1 1963 [0,0,0,0,0,0|4,0,0]=4 177 B10R1.30 OCC1=C(Br)C=CC(I)=C1 27439 [0,0,0,0,0,0|4,0,0]=4 178 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 4881 [0,0,0,0,0,0|4,0,0]=4 179 B10R1.30 OCC1=C(F)C=CC(Br)=C1 3224 [0,0,0,0,0,0|4,0,0]=4 180 B10R1.30 OCC1=C(F)C=CC(F)=C1 4913 [0,0,0,0,0,0|4,0,0]=4 181 B10R1.30 OCC1=C(I)C=CC(Br)=C1 31316 [0,0,0,0,0,0|4,0,0]=4 182 B10R1.30 OCC1=C(S)C=CC(F)=C1 19636 [0,0,0,0,0,0|3,1,0]=4 183 B10R1.30 OCC1=CC(Br)=CC=C1O 22564 [0,0,0,0,0,0|3,0,0]=3 184 B9R1.2 BrCC1=CC(Br)=CC=C1 3029 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.2 BrCC1=CC(I)=CC=C1 28805 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.2 C#CC1=CC(F)=CC=C1 12891 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.2 C#CC1=CC(N)=CC=C1 30297 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.2 C#CC1=CC(N)=CC=C1 4052 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.2 C#CC1=CC=CC(Br)=C1 19784 [1,0,0,0,0,0|2,0,1]=4 190 B9R1.2 C#CC1=CC=CC(Cl)=C1 14083 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.2 C=CC1=CC(Br)=CC=C1 23859 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.2 C=CC1=CC=CC(C)=N1 25969 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.2 CC1=CC(C#N)=NC=C1 21387 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.2 CC1=CC(C=O)=CC=C1 15513 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.2 CC1=CC(C=O)=NC=C1 17166 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.2 CC1=CC=CC(C#N)=N1 16781 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.2 CC1=CC=CC(C=O)=N1 15904 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.2 CC1=CC=CC(CBr)=N1 22577 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.2 CC1=CC=CC(CCl)=N1 22531 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.2 CC1=CC=CC(CCl)=N1 22536 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.2 CC1=CC=CC(CF)=C1 28809 [1,0,0,0,0,0|2,0,0]=3 202 B9R1.2 CC1=CC=CC(CN)=C1 10198 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.2 CC1=CC=CC(CN)=N1 19465 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.2 CC1=CC=CC(CO)=N1 20959 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.2 CC1=CC=CC(NN)=C1 6397 [1,0,0,0,0,0|2,0,0]=3 206 B9R1.2 CC1=CN=CC(CO)=C1 22640 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.2 CC1=NC=CC(C#N)=C1 26215 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.2 CC1=NC=CC(CN)=C1 34737 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.2 CCC1=CC(N)=NC=C1 7108 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.2 CCC1=CC=CC(Br)=C1 3771 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.2 CCC1=CC=CC(N)=C1 13534 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.2 CCC1=CC=CC(O)=C1 10772 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.2 CCC1=NC=CC(Br)=C1 22128 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.2 CNC1=CC(Br)=CN=C1 34590 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.2 CNC1=CC(Br)=NC=C1 33713 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.2 CNC1=CC(Cl)=CC=C1 9202 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.2 CNC1=CC(F)=CC=C1 24835 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.2 CNC1=CC=CC(O)=C1 27611 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.2 CNC1=NC=CC(Br)=C1 32483 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.2 COC1=CC(Br)=CC=C1 13575 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.2 COC1=CC(Br)=NC=C1 5957 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.2 COC1=CC(Br)=NC=N1 28084 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.2 COC1=CC(Cl)=CC=C1 3615 [1,0,0,0,0,0|1,0,0]=2 224 B9R1.2 COC1=CC(Cl)=NC=C1 6204 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.2 COC1=CC(Cl)=NC=N1 7038 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.2 COC1=CC(F)=CC=C1 3474 [1,0,0,0,0,0|1,0,0]=2 227 B9R1.2 COC1=CC(F)=NC=C1 34821 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.2 COC1=CC(I)=CC=C1 3904 [1,0,0,0,0,0|1,0,0]=2 229 B9R1.2 COC1=CC(I)=NC=N1 28085 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.2 COC1=CC(N)=NC=C1 16566 [1,0,0,0,0,0|2,0,0]=3 231 B9R1.2 COC1=CC(N)=NC=C1 5700 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.2 COC1=CC(N)=NC=N1 2605 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.2 COC1=CC(O)=CC=C1 13577 [1,0,0,0,0,0|1,0,0]=2 234 B9R1.2 COC1=CC=CC(Br)=N1 9206 [1,0,0,0,0,0|2,0,0]=3 235 B9R1.2 COC1=CC=CC(Cl)=N1 13194 [1,0,0,0,0,0|2,0,0]=3 236 B9R1.2 COC1=CC=CC(I)=N1 9288 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.2 COC1=CC=CC(N)=C1 8374 [1,0,0,0,0,0|1,0,0]=2 238 B9R1.2 COC1=CC=CC(N)=N1 12919 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.2 COC1=CC=CC(S)=C1 6817 [1,0,0,0,0,0|1,0,0]=2 240 B9R1.2 COC1=CN=CC(Br)=C1 5085 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.2 COC1=CN=CC(Cl)=N1 32164 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.2 COC1=CN=CC(I)=C1 16704 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.2 COC1=CN=CC(N)=C1 22353 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.2 COC1=CN=CC(N)=N1 17504 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.2 COC1=CN=CC(O)=C1 27157 [1,0,0,0,0,0|2,0,0]=3 246 B9R1.2 COC1=CN=NC(O)=C1 28201 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.2 COC1=NC(Br)=NC=C1 28086 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.2 COC1=NC(C)=NC=C1 19887 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.2 COC1=NC(N)=NC=C1 21995 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.2 COC1=NC=CC(Br)=C1 6657 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.2 COC1=NC=CC(Br)=N1 33686 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.2 COC1=NC=CC(C)=C1 6598 [1,0,0,0,0,0|1,0,0]=2 253 B9R1.2 COC1=NC=CC(Cl)=C1 15650 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.2 COC1=NC=CC(Cl)=C1 6663 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.2 COC1=NC=CC(Cl)=N1 23206 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.2 COC1=NC=CC(F)=C1 6596 [1,0,0,0,0,0|2,0,0]=3 257 B9R1.2 COC1=NC=CC(I)=C1 17128 [1,0,0,0,0,0|2,0,0]=3 258 B9R1.2 COC1=NC=CC(N)=C1 32235 [1,0,0,0,0,0|2,0,0]=3 259 B9R1.2 COC1=NC=CC(N)=C1 6595 [1,0,0,0,0,0|2,0,0]=3 260 B9R1.2 COC1=NC=CC(N)=N1 28087 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.2 COC1=NC=CC(O)=C1 35149 [1,0,0,0,0,0|2,0,0]=3 262 B9R1.2 CSC1=CC(Br)=CC=C1 10649 [1,0,0,0,0,0|1,1,0]=3 263 B9R1.2 CSC1=CC(C)=CC=C1 10793 [1,0,0,0,0,0|0,1,0]=2 264 B9R1.2 CSC1=CC(Cl)=CC=C1 10644 [1,0,0,0,0,0|1,1,0]=3 265 B9R1.2 CSC1=CC(F)=CC=C1 10640 [1,0,0,0,0,0|1,1,0]=3 266 B9R1.2 CSC1=CC(I)=CC=C1 10669 [1,0,0,0,0,0|1,1,0]=3 267 B9R1.2 CSC1=CC(N)=CC=C1 10635 [1,0,0,0,0,0|1,1,0]=3 268 B9R1.2 CSC1=CC=CC(Br)=N1 27610 [1,0,0,0,0,0|2,1,0]=4 269 B9R1.2 CSC1=NC=CC(C)=N1 35732 [1,0,0,0,0,0|2,1,0]=4 270 B9R1.2 ClC1=CC=CC(CBr)=C1 10765 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.2 ClCC1=CC(Br)=CC=C1 23319 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.2 ClCC1=CC(Cl)=CC=C1 7520 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.2 ClCC1=CC(I)=CC=C1 31286 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.2 FC1=CC=CC(CBr)=C1 10214 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.2 FC1=CC=CC(CCl)=C1 7516 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.2 N#CC1=CC(Br)=CC=C1 1584 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.2 N#CC1=CC(Cl)=CC=C1 3624 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.2 N#CC1=CC(F)=CC=C1 1579 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.2 N#CC1=CC(I)=CC=C1 3935 [1,0,0,0,0,0|3,0,0]=4 280 B9R1.2 N#CC1=CC(O)=CC=C1 13113 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.2 N#CC1=CC=CC(S)=C1 26190 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.2 NC1=CC=CC(CO)=C1 13383 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.2 NCC1=CC(Br)=CC=C1 21109 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.2 NCC1=CC(Br)=CC=C1 3750 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.2 NCC1=CC(F)=CC=C1 4417 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.2 NCC1=CC(I)=CC=C1 3302 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.2 NCC1=CC(N)=CC=C1 5802 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.2 NNC1=CC(Br)=CC=C1 23212 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.2 NNC1=CC(Cl)=CC=C1 7529 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.2 NNC1=CC(F)=CC=C1 3341 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.2 O=CC1=CC(Br)=CC=C1 3728 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.2 O=CC1=CC(Cl)=CC=C1 10800 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.2 O=CC1=CC(F)=CC=C1 3477 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.2 O=CC1=CC(I)=CC=C1 3917 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.2 O=CC1=CC(O)=CC=C1 7767 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.2 OCC1=CC(Br)=CC=C1 3747 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.2 OCC1=CC(Cl)=CC=C1 3626 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.2 OCC1=CC(F)=CC=C1 3486 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.2 OCC1=CC(I)=CC=C1 24776 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.15 BrCC1=C(Br)C=CC=C1 16915 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.15 BrCC1=C(I)C=CC=C1 14812 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.15 C#CC1=C(Cl)C=CC=C1 2550 [1,0,0,0,0,0|2,0,1]=4 303 B9R1.15 C=CC1=C(Br)C=CC=C1 23975 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.15 CC1=C(C#N)C=CC=C1 25285 [1,0,0,0,0,0|3,0,0]=4 305 B9R1.15 CC1=C(CCl)C=CC=C1 7487 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.15 CC1=C(CN)C=CC=C1 10197 [1,0,0,0,0,0|3,0,0]=4 307 B9R1.15 CC1=C(NN)C=CC=C1 22584 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.15 CC1=C(NN)C=CC=C1 6396 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.15 CC1=CC=CC=C1C=O 15511 [1,0,0,0,0,0|3,0,0]=4 310 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [1,0,0,0,0,0|2,0,0]=3 311 B9R1.15 CCC1=C(I)C=CC=C1 3876 [1,0,0,0,0,0|2,0,0]=3 312 B9R1.15 CCC1=C(N)C=CC=C1 20945 [1,0,0,0,0,0|2,0,0]=3 313 B9R1.15 CCC1=C(N)C=CC=C1 21080 [1,0,0,0,0,0|2,0,0]=3 314 B9R1.15 CCC1=C(O)C=CC=C1 3871 [1,0,0,0,0,0|1,0,0]=2 315 B9R1.15 CCC1=C(S)C=CC=C1 6844 [1,0,0,0,0,0|1,1,0]=3 316 B9R1.15 CCC1=CC=CN=C1N 35166 [1,0,0,0,0,0|3,0,0]=4 317 B9R1.15 CCC1=NC=CC=C1Br 27958 [1,0,0,0,0,0|3,0,0]=4 318 B9R1.15 CC[N+]1=C(Br)C=CC=C1 35190 [1,0,0,0,0,0|3,0,0]=4 319 B9R1.15 CNC1=C(F)C=CC=C1 15527 [1,0,0,0,0,0|2,0,0]=3 320 B9R1.15 CNC1=C(N)C=NC=C1 29063 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.15 CNC1=CC=CC=C1N 14987 [1,0,0,0,0,0|2,0,0]=3 322 B9R1.15 COC1=C(Br)C=CC=C1 3725 [1,0,0,0,0,0|1,0,0]=2 323 B9R1.15 COC1=C(Br)C=CN=C1 20095 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.15 COC1=C(Br)C=CN=C1 34713 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.15 COC1=C(Br)C=NC=C1 6686 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.15 COC1=C(C)C=CN=C1 34674 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [1,0,0,0,0,0|1,0,0]=2 328 B9R1.15 COC1=C(Cl)C=CN=C1 33677 [1,0,0,0,0,0|2,0,0]=3 329 B9R1.15 COC1=C(Cl)C=NC=C1 6687 [1,0,0,0,0,0|2,0,0]=3 330 B9R1.15 COC1=C(F)C=CC=C1 3473 [1,0,0,0,0,0|1,0,0]=2 331 B9R1.15 COC1=C(I)C=CC=C1 3898 [1,0,0,0,0,0|1,0,0]=2 332 B9R1.15 COC1=C(I)C=NC=C1 34558 [1,0,0,0,0,0|2,0,0]=3 333 B9R1.15 COC1=C(N)C=CN=C1 27755 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.15 COC1=C(O)C=CN=C1 34289 [1,0,0,0,0,0|1,0,0]=2 335 B9R1.15 COC1=C(S)C=CC=C1 6816 [1,0,0,0,0,0|0,1,0]=2 336 B9R1.15 COC1=CC=CC=C1O 26545 [1,0,0,0,0,0|0,0,0]=1 337 B9R1.15 COC1=CC=CN=C1Br 5916 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.15 COC1=CC=CN=C1C 6637 [1,0,0,0,0,0|2,0,0]=3 339 B9R1.15 COC1=CC=CN=C1Cl 6146 [1,0,0,0,0,0|2,0,0]=3 340 B9R1.15 COC1=CC=CN=C1N 28123 [1,0,0,0,0,0|2,0,0]=3 341 B9R1.15 COC1=CC=CN=C1O 6543 [1,0,0,0,0,0|1,0,0]=2 342 B9R1.15 COC1=CN=CN=C1Cl 32304 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.15 COC1=NC=CC=C1Br 1180 [1,0,0,0,0,0|2,0,0]=3 344 B9R1.15 COC1=NC=CC=C1C 6594 [1,0,0,0,0,0|2,0,0]=3 345 B9R1.15 COC1=NC=CC=C1Cl 1189 [1,0,0,0,0,0|2,0,0]=3 346 B9R1.15 COC1=NC=CC=C1F 10624 [1,0,0,0,0,0|2,0,0]=3 347 B9R1.15 COC1=NC=CC=C1I 6586 [1,0,0,0,0,0|2,0,0]=3 348 B9R1.15 COC1=NC=CC=C1N 1269 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.15 COC1=NC=CN=C1Br 32150 [1,0,0,0,0,0|3,0,0]=4 350 B9R1.15 COC1=NC=CN=C1C 9109 [1,0,0,0,0,0|3,0,0]=4 351 B9R1.15 COC1=NC=CN=C1Cl 8545 [1,0,0,0,0,0|3,0,0]=4 352 B9R1.15 COC1=NC=CN=C1N 27380 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [1,0,0,0,0,0|1,1,0]=3 354 B9R1.15 CSC1=C(C)C=CC=C1 10730 [1,0,0,0,0,0|1,1,0]=3 355 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [1,0,0,0,0,0|1,1,0]=3 356 B9R1.15 CSC1=C(F)C=CC=C1 10638 [1,0,0,0,0,0|1,1,0]=3 357 B9R1.15 CSC1=C(I)C=CC=C1 10668 [1,0,0,0,0,0|1,1,0]=3 358 B9R1.15 CSC1=C(N)C=CC=C1 10633 [1,0,0,0,0,0|1,1,0]=3 359 B9R1.15 CSC1=C(O)C=CC=C1 10666 [1,0,0,0,0,0|0,1,0]=2 360 B9R1.15 ClC1=C(CBr)C=CC=C1 12482 [1,0,0,0,0,0|3,0,0]=4 361 B9R1.15 ClCC1=C(Cl)C=CC=C1 10203 [1,0,0,0,0,0|3,0,0]=4 362 B9R1.15 FC1=C(CBr)C=CC=C1 10383 [1,0,0,0,0,0|3,0,0]=4 363 B9R1.15 FC1=C(CCl)C=CC=C1 2094 [1,0,0,0,0,0|3,0,0]=4 364 B9R1.15 N#CC1=C(Br)C=CC=C1 3744 [1,0,0,0,0,0|3,0,0]=4 365 B9R1.15 N#CC1=C(F)C=CC=C1 1578 [1,0,0,0,0,0|3,0,0]=4 366 B9R1.15 N#CC1=C(I)C=CC=C1 3932 [1,0,0,0,0,0|3,0,0]=4 367 B9R1.15 N#CC1=C(O)C=CC=C1 4803 [1,0,0,0,0,0|2,0,0]=3 368 B9R1.15 N#CC1=CC=CC=C1N 13630 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.15 N#CC1=CC=CN=C1O 20421 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.15 N#CC1=CC=CN=C1O 6539 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.15 N#CC1=CN=CC=C1O 13974 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.15 N#CC1=NC=CC=C1O 9231 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.15 NC1=C(C=O)C=CC=C1 15692 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.15 NC1=C(CO)C=CC=C1 7478 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.15 NCC1=C(Br)C=CC=C1 20398 [1,0,0,0,0,0|3,0,0]=4 376 B9R1.15 NCC1=C(Br)C=CC=C1 3749 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.15 NCC1=C(Cl)C=CC=C1 5800 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.15 NCC1=C(Cl)C=CC=C1 6155 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.15 NCC1=C(F)C=CC=C1 4415 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.15 NCC1=C(N)C=CC=C1 23363 [1,0,0,0,0,0|3,0,0]=4 381 B9R1.15 NCC1=C(O)C=CC=C1 7383 [1,0,0,0,0,0|2,0,0]=3 382 B9R1.15 NCC1=NC=CC=C1O 34602 [1,0,0,0,0,0|3,0,0]=4 383 B9R1.15 NNC1=C(Br)C=CC=C1 4463 [1,0,0,0,0,0|3,0,0]=4 384 B9R1.15 NNC1=C(Cl)C=CC=C1 4482 [1,0,0,0,0,0|3,0,0]=4 385 B9R1.15 NNC1=C(F)C=CC=C1 3347 [1,0,0,0,0,0|3,0,0]=4 386 B9R1.15 NNC1=C(F)C=CC=C1 3350 [1,0,0,0,0,0|3,0,0]=4 387 B9R1.15 O=CC1=C(Br)C=CC=C1 3727 [1,0,0,0,0,0|3,0,0]=4 388 B9R1.15 O=CC1=C(F)C=CC=C1 3476 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.15 O=CC1=C(I)C=CC=C1 3914 [1,0,0,0,0,0|3,0,0]=4 390 B9R1.15 O=CC1=C(O)C=NC=C1 33398 [1,0,0,0,0,0|3,0,0]=4 391 B9R1.15 O=CC1=C(O)N=CC=C1 17177 [1,0,0,0,0,0|3,0,0]=4 392 B9R1.15 O=CC1=NC=CC=C1O 12415 [1,0,0,0,0,0|3,0,0]=4 393 B9R1.15 OCC1=C(Br)C=CC=C1 3746 [1,0,0,0,0,0|3,0,0]=4 394 B9R1.15 OCC1=C(Cl)C=CC=C1 3625 [1,0,0,0,0,0|3,0,0]=4 395 B9R1.15 OCC1=C(F)C=CC=C1 3485 [1,0,0,0,0,0|3,0,0]=4 396 B9R1.15 OCC1=C(O)C=CC=C1 21869 [1,0,0,0,0,0|2,0,0]=3 397 B9R1.15 OCC1=NC=CC=C1O 4075 [1,0,0,0,0,0|3,0,0]=4 398 B9R1.15 SCC1=C(Cl)C=CC=C1 6836 [1,0,0,0,0,0|3,0,0]=4 399 B9R1.15 SCc1ccccc1Br 6847 [1,0,0,0,0,0|3,0,0]=4 400 B9R1.69 BrC1=C(I)C=CC(I)=C1 25907 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.69 BrC1=CC(Br)=C(Br)C=C1 28486 [1,0,0,0,0,0|3,0,0]=4 402 B9R1.69 CC1=C(Br)C=C(Br)C=C1 3915 [1,0,0,0,0,0|3,0,0]=4 403 B9R1.69 CC1=C(Br)C=C(Cl)C=C1 3599 [1,0,0,0,0,0|3,0,0]=4 404 B9R1.69 CC1=C(Br)C=C(F)C=C1 1602 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.69 CC1=C(Br)C=C(N)C=C1 5336 [1,0,0,0,0,0|3,0,0]=4 406 B9R1.69 CC1=C(Br)C=C(O)C=C1 27670 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.69 CC1=C(Br)C=CC(Br)=C1 3922 [1,0,0,0,0,0|2,0,0]=3 408 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 3600 [1,0,0,0,0,0|2,0,0]=3 409 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 6208 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.69 CC1=C(Br)C=CC(F)=C1 1603 [1,0,0,0,0,0|2,0,0]=3 411 B9R1.69 CC1=C(Br)C=CC(F)=N1 6317 [1,0,0,0,0,0|3,0,0]=4 412 B9R1.69 CC1=C(Br)C=CC(I)=C1 3791 [1,0,0,0,0,0|2,0,0]=3 413 B9R1.69 CC1=C(Br)C=CC(N)=C1 4339 [1,0,0,0,0,0|2,0,0]=3 414 B9R1.69 CC1=C(Br)C=CC(N)=C1 5368 [1,0,0,0,0,0|2,0,0]=3 415 B9R1.69 CC1=C(Br)C=CC(N)=N1 1237 [1,0,0,0,0,0|3,0,0]=4 416 B9R1.69 CC1=C(Br)C=CC(O)=C1 2201 [1,0,0,0,0,0|2,0,0]=3 417 B9R1.69 CC1=C(Br)C=CC(O)=N1 6565 [1,0,0,0,0,0|3,0,0]=4 418 B9R1.69 CC1=C(C)C=C(Br)C=C1 3764 [1,0,0,0,0,0|2,0,0]=3 419 B9R1.69 CC1=C(C)C=C(Cl)C=C1 3641 [1,0,0,0,0,0|2,0,0]=3 420 B9R1.69 CC1=C(C)C=C(F)C=C1 14118 [1,0,0,0,0,0|2,0,0]=3 421 B9R1.69 CC1=C(C)C=C(I)C=C1 3105 [1,0,0,0,0,0|2,0,0]=3 422 B9R1.69 CC1=C(C)C=C(O)C=C1 21761 [1,0,0,0,0,0|2,0,0]=3 423 B9R1.69 CC1=C(C)C=C(S)C=C1 6812 [1,0,0,0,0,0|2,0,0]=3 424 B9R1.69 CC1=C(C)N=C(N)C=C1 26060 [1,0,0,0,0,0|3,0,0]=4 425 B9R1.69 CC1=C(Cl)C=C(Br)C=C1 3603 [1,0,0,0,0,0|3,0,0]=4 426 B9R1.69 CC1=C(Cl)C=C(F)C=C1 1605 [1,0,0,0,0,0|3,0,0]=4 427 B9R1.69 CC1=C(Cl)C=C(I)C=C1 3652 [1,0,0,0,0,0|3,0,0]=4 428 B9R1.69 CC1=C(Cl)C=C(N)C=C1 19746 [1,0,0,0,0,0|3,0,0]=4 429 B9R1.69 CC1=C(Cl)C=C(O)C=C1 3671 [1,0,0,0,0,0|3,0,0]=4 430 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 3604 [1,0,0,0,0,0|2,0,0]=3 431 B9R1.69 CC1=C(Cl)C=CC(Cl)=C1 3700 [1,0,0,0,0,0|2,0,0]=3 432 B9R1.69 CC1=C(Cl)C=CC(F)=C1 1606 [1,0,0,0,0,0|2,0,0]=3 433 B9R1.69 CC1=C(Cl)C=CC(I)=C1 3653 [1,0,0,0,0,0|2,0,0]=3 434 B9R1.69 CC1=C(Cl)C=CC(N)=C1 3439 [1,0,0,0,0,0|2,0,0]=3 435 B9R1.69 CC1=C(Cl)C=CC(N)=N1 5718 [1,0,0,0,0,0|3,0,0]=4 436 B9R1.69 CC1=C(F)C=C(Br)C=C1 1601 [1,0,0,0,0,0|3,0,0]=4 437 B9R1.69 CC1=C(F)C=C(Cl)C=C1 3437 [1,0,0,0,0,0|3,0,0]=4 438 B9R1.69 CC1=C(F)C=C(F)C=C1 1612 [1,0,0,0,0,0|3,0,0]=4 439 B9R1.69 CC1=C(F)C=C(I)C=C1 1618 [1,0,0,0,0,0|3,0,0]=4 440 B9R1.69 CC1=C(F)C=C(N)C=C1 1509 [1,0,0,0,0,0|3,0,0]=4 441 B9R1.69 CC1=C(F)C=C(O)C=C1 1499 [1,0,0,0,0,0|3,0,0]=4 442 B9R1.69 CC1=C(F)C=C(S)C=C1 6872 [1,0,0,0,0,0|3,0,0]=4 443 B9R1.69 CC1=C(F)C=CC(Br)=C1 1599 [1,0,0,0,0,0|2,0,0]=3 444 B9R1.69 CC1=C(F)C=CC(Br)=N1 1135 [1,0,0,0,0,0|3,0,0]=4 445 B9R1.69 CC1=C(F)C=CC(Cl)=C1 1609 [1,0,0,0,0,0|2,0,0]=3 446 B9R1.69 CC1=C(F)C=CC(Cl)=N1 6219 [1,0,0,0,0,0|3,0,0]=4 447 B9R1.69 CC1=C(F)C=CC(F)=C1 1613 [1,0,0,0,0,0|2,0,0]=3 448 B9R1.69 CC1=C(F)C=CC(I)=C1 1619 [1,0,0,0,0,0|2,0,0]=3 449 B9R1.69 CC1=C(F)C=CC(N)=C1 1513 [1,0,0,0,0,0|2,0,0]=3 450 B9R1.69 CC1=C(F)C=CC(N)=N1 26666 [1,0,0,0,0,0|3,0,0]=4 451 B9R1.69 CC1=C(F)C=CC(O)=C1 1501 [1,0,0,0,0,0|2,0,0]=3 452 B9R1.69 CC1=C(I)C=C(Cl)C=C1 3657 [1,0,0,0,0,0|3,0,0]=4 453 B9R1.69 CC1=C(I)C=C(F)C=C1 1622 [1,0,0,0,0,0|3,0,0]=4 454 B9R1.69 CC1=C(I)C=C(N)C=C1 3314 [1,0,0,0,0,0|3,0,0]=4 455 B9R1.69 CC1=C(I)C=CC(Br)=C1 3793 [1,0,0,0,0,0|2,0,0]=3 456 B9R1.69 CC1=C(I)C=CC(Cl)=C1 25479 [1,0,0,0,0,0|2,0,0]=3 457 B9R1.69 CC1=C(I)C=CC(Cl)=N1 13524 [1,0,0,0,0,0|3,0,0]=4 458 B9R1.69 CC1=C(I)C=CC(F)=C1 1624 [1,0,0,0,0,0|2,0,0]=3 459 B9R1.69 CC1=C(I)C=CC(F)=N1 13525 [1,0,0,0,0,0|3,0,0]=4 460 B9R1.69 CC1=C(I)C=CC(N)=N1 13519 [1,0,0,0,0,0|3,0,0]=4 461 B9R1.69 CC1=C(I)C=CC(O)=C1 23022 [1,0,0,0,0,0|2,0,0]=3 462 B9R1.69 CC1=C(N)C=C(Br)C=C1 3801 [1,0,0,0,0,0|3,0,0]=4 463 B9R1.69 CC1=C(N)C=C(Cl)C=C1 14280 [1,0,0,0,0,0|3,0,0]=4 464 B9R1.69 CC1=C(N)C=C(Cl)C=C1 35457 [1,0,0,0,0,0|3,0,0]=4 465 B9R1.69 CC1=C(N)C=C(F)C=C1 1512 [1,0,0,0,0,0|3,0,0]=4 466 B9R1.69 CC1=C(N)C=C(I)C=C1 31023 [1,0,0,0,0,0|3,0,0]=4 467 B9R1.69 CC1=C(N)C=C(N)C=C1 21656 [1,0,0,0,0,0|3,0,0]=4 468 B9R1.69 CC1=C(N)C=C(O)C=C1 4524 [1,0,0,0,0,0|3,0,0]=4 469 B9R1.69 CC1=C(N)C=CC(Br)=C1 15188 [1,0,0,0,0,0|2,0,0]=3 470 B9R1.69 CC1=C(N)C=CC(Br)=C1 3800 [1,0,0,0,0,0|2,0,0]=3 471 B9R1.69 CC1=C(N)C=CC(Br)=C1 3803 [1,0,0,0,0,0|2,0,0]=3 472 B9R1.69 CC1=C(N)C=CC(Br)=N1 1117 [1,0,0,0,0,0|3,0,0]=4 473 B9R1.69 CC1=C(N)C=CC(Cl)=C1 10759 [1,0,0,0,0,0|2,0,0]=3 474 B9R1.69 CC1=C(N)C=CC(F)=C1 1508 [1,0,0,0,0,0|2,0,0]=3 475 B9R1.69 CC1=C(N)C=CC(I)=C1 3318 [1,0,0,0,0,0|2,0,0]=3 476 B9R1.69 CC1=C(N)C=CC(N)=N1 5495 [1,0,0,0,0,0|3,0,0]=4 477 B9R1.69 CC1=C(N)C=CC(O)=C1 22012 [1,0,0,0,0,0|2,0,0]=3 478 B9R1.69 CC1=C(N)C=NC(F)=C1 17516 [1,0,0,0,0,0|3,0,0]=4 479 B9R1.69 CC1=C(O)C=C(Br)C=C1 4132 [1,0,0,0,0,0|2,0,0]=3 480 B9R1.69 CC1=C(O)C=C(Cl)C=C1 3674 [1,0,0,0,0,0|2,0,0]=3 481 B9R1.69 CC1=C(O)C=C(F)C=C1 1502 [1,0,0,0,0,0|2,0,0]=3 482 B9R1.69 CC1=C(O)C=C(N)C=C1 8207 [1,0,0,0,0,0|2,0,0]=3 483 B9R1.69 CC1=C(O)C=C(O)C=C1 27666 [1,0,0,0,0,0|2,0,0]=3 484 B9R1.69 CC1=C(O)C=CC(Br)=C1 7106 [1,0,0,0,0,0|1,0,0]=2 485 B9R1.69 CC1=C(O)C=CC(Cl)=C1 3673 [1,0,0,0,0,0|1,0,0]=2 486 B9R1.69 CC1=C(O)C=CC(F)=C1 1500 [1,0,0,0,0,0|1,0,0]=2 487 B9R1.69 CC1=C(O)C=CC(S)=C1 6863 [1,0,0,0,0,0|1,0,0]=2 488 B9R1.69 CC1=C(S)C=C(Cl)C=C1 6881 [1,0,0,0,0,0|2,1,0]=4 489 B9R1.69 CC1=C(S)C=CC(F)=C1 6870 [1,0,0,0,0,0|1,1,0]=3 490 B9R1.69 CC1=CC(=O)C=CC1=O 14604 [1,0,0,0,0,0|1,0,1]=3 491 B9R1.69 CC1=CC(Br)=C(Br)C=C1 3930 [1,0,0,0,0,0|2,0,0]=3 492 B9R1.69 CC1=CC(Br)=C(C)C=C1 3763 [1,0,0,0,0,0|2,0,0]=3 493 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 3602 [1,0,0,0,0,0|2,0,0]=3 494 B9R1.69 CC1=CC(Br)=C(F)C=C1 1600 [1,0,0,0,0,0|2,0,0]=3 495 B9R1.69 CC1=CC(Br)=C(I)C=C1 3792 [1,0,0,0,0,0|2,0,0]=3 496 B9R1.69 CC1=CC(Br)=C(N)C=C1 3799 [1,0,0,0,0,0|2,0,0]=3 497 B9R1.69 CC1=CC(Br)=C(N)C=C1 3802 [1,0,0,0,0,0|2,0,0]=3 498 B9R1.69 CC1=CC(Br)=C(O)C=C1 4096 [1,0,0,0,0,0|1,0,0]=2 499 B9R1.69 CC1=CC(Br)=C(O)C=N1 30312 [1,0,0,0,0,0|2,0,0]=3 500 B9R1.69 CC1=CC(Br)=CN=C1Br 1138 [1,0,0,0,0,0|3,0,0]=4 501 B9R1.69 CC1=CC(Br)=CN=C1Cl 1104 [1,0,0,0,0,0|3,0,0]=4 502 B9R1.69 CC1=CC(Br)=CN=C1F 1136 [1,0,0,0,0,0|3,0,0]=4 503 B9R1.69 CC1=CC(Br)=CN=C1I 6573 [1,0,0,0,0,0|3,0,0]=4 504 B9R1.69 CC1=CC(Br)=CN=C1N 1236 [1,0,0,0,0,0|3,0,0]=4 505 B9R1.69 CC1=CC(Br)=CN=C1O 6562 [1,0,0,0,0,0|2,0,0]=3 506 B9R1.69 CC1=CC(Br)=NC=C1Br 2411 [1,0,0,0,0,0|3,0,0]=4 507 B9R1.69 CC1=CC(Br)=NC=C1N 5960 [1,0,0,0,0,0|3,0,0]=4 508 B9R1.69 CC1=CC(C)=C(Br)C=C1 3762 [1,0,0,0,0,0|1,0,0]=2 509 B9R1.69 CC1=CC(C)=C(Cl)C=C1 3639 [1,0,0,0,0,0|1,0,0]=2 510 B9R1.69 CC1=CC(C)=C(I)C=C1 3869 [1,0,0,0,0,0|1,0,0]=2 511 B9R1.69 CC1=CC(C)=C(N)C=C1 15152 [1,0,0,0,0,0|1,0,0]=2 512 B9R1.69 CC1=CC(C)=C(N)C=N1 25045 [1,0,0,0,0,0|2,0,0]=3 513 B9R1.69 CC1=CC(C)=C(O)C=C1 21747 [1,0,0,0,0,0|0,0,0]=1 514 B9R1.69 CC1=CC(C)=C(S)C=C1 6810 [1,0,0,0,0,0|0,1,0]=2 515 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 9504 [1,0,0,0,0,0|2,0,0]=3 516 B9R1.69 CC1=CC(Cl)=C(C)C=C1 3640 [1,0,0,0,0,0|2,0,0]=3 517 B9R1.69 CC1=CC(Cl)=C(F)C=C1 3436 [1,0,0,0,0,0|2,0,0]=3 518 B9R1.69 CC1=CC(Cl)=C(I)C=C1 3656 [1,0,0,0,0,0|2,0,0]=3 519 B9R1.69 CC1=CC(Cl)=C(N)C=C1 2472 [1,0,0,0,0,0|2,0,0]=3 520 B9R1.69 CC1=CC(Cl)=C(O)C=C1 3672 [1,0,0,0,0,0|1,0,0]=2 521 B9R1.69 CC1=CC(Cl)=CN=C1Br 1285 [1,0,0,0,0,0|3,0,0]=4 522 B9R1.69 CC1=CC(Cl)=CN=C1Cl 15129 [1,0,0,0,0,0|3,0,0]=4 523 B9R1.69 CC1=CC(Cl)=CN=C1F 6318 [1,0,0,0,0,0|3,0,0]=4 524 B9R1.69 CC1=CC(Cl)=CN=C1N 1243 [1,0,0,0,0,0|3,0,0]=4 525 B9R1.69 CC1=CC(Cl)=CN=C1O 9824 [1,0,0,0,0,0|2,0,0]=3 526 B9R1.69 CC1=CC(Cl)=NC=C1Br 6207 [1,0,0,0,0,0|3,0,0]=4 527 B9R1.69 CC1=CC(Cl)=NC=C1Cl 15130 [1,0,0,0,0,0|3,0,0]=4 528 B9R1.69 CC1=CC(Cl)=NC=C1F 10460 [1,0,0,0,0,0|3,0,0]=4 529 B9R1.69 CC1=CC(Cl)=NC=C1I 13517 [1,0,0,0,0,0|3,0,0]=4 530 B9R1.69 CC1=CC(Cl)=NC=C1N 6206 [1,0,0,0,0,0|3,0,0]=4 531 B9R1.69 CC1=CC(F)=C(Br)C=C1 1604 [1,0,0,0,0,0|2,0,0]=3 532 B9R1.69 CC1=CC(F)=C(C)C=C1 35429 [1,0,0,0,0,0|2,0,0]=3 533 B9R1.69 CC1=CC(F)=C(Cl)C=C1 1611 [1,0,0,0,0,0|2,0,0]=3 534 B9R1.69 CC1=CC(F)=C(F)C=C1 1615 [1,0,0,0,0,0|2,0,0]=3 535 B9R1.69 CC1=CC(F)=C(I)C=C1 1621 [1,0,0,0,0,0|2,0,0]=3 536 B9R1.69 CC1=CC(F)=C(N)C=C1 1511 [1,0,0,0,0,0|2,0,0]=3 537 B9R1.69 CC1=CC(F)=CN=C1Br 5965 [1,0,0,0,0,0|3,0,0]=4 538 B9R1.69 CC1=CC(F)=CN=C1Cl 6220 [1,0,0,0,0,0|3,0,0]=4 539 B9R1.69 CC1=CC(F)=CN=C1N 17148 [1,0,0,0,0,0|3,0,0]=4 540 B9R1.69 CC1=CC(F)=NC=C1Br 3547 [1,0,0,0,0,0|3,0,0]=4 541 B9R1.69 CC1=CC(F)=NC=C1Cl 15262 [1,0,0,0,0,0|3,0,0]=4 542 B9R1.69 CC1=CC(F)=NC=C1I 13514 [1,0,0,0,0,0|3,0,0]=4 543 B9R1.69 CC1=CC(I)=C(C)C=C1 3875 [1,0,0,0,0,0|2,0,0]=3 544 B9R1.69 CC1=CC(I)=C(F)C=C1 1623 [1,0,0,0,0,0|2,0,0]=3 545 B9R1.69 CC1=CC(I)=C(N)C=C1 5353 [1,0,0,0,0,0|2,0,0]=3 546 B9R1.69 CC1=CC(I)=CN=C1Br 5968 [1,0,0,0,0,0|3,0,0]=4 547 B9R1.69 CC1=CC(I)=CN=C1Cl 6221 [1,0,0,0,0,0|3,0,0]=4 548 B9R1.69 CC1=CC(I)=CN=C1F 6322 [1,0,0,0,0,0|3,0,0]=4 549 B9R1.69 CC1=CC(I)=CN=C1N 1264 [1,0,0,0,0,0|3,0,0]=4 550 B9R1.69 CC1=CC(N)=C(Br)C=C1 4337 [1,0,0,0,0,0|2,0,0]=3 551 B9R1.69 CC1=CC(N)=C(Cl)C=C1 18921 [1,0,0,0,0,0|2,0,0]=3 552 B9R1.69 CC1=CC(N)=C(F)C=C1 1507 [1,0,0,0,0,0|2,0,0]=3 553 B9R1.69 CC1=CC(N)=C(I)C=C1 20232 [1,0,0,0,0,0|2,0,0]=3 554 B9R1.69 CC1=CC(N)=C(N)C=C1 19699 [1,0,0,0,0,0|2,0,0]=3 555 B9R1.69 CC1=CC(N)=C(N)C=N1 17738 [1,0,0,0,0,0|3,0,0]=4 556 B9R1.69 CC1=CC(N)=C(S)C=C1 24155 [1,0,0,0,0,0|1,1,0]=3 557 B9R1.69 CC1=CC(N)=CN=C1Br 1129 [1,0,0,0,0,0|3,0,0]=4 558 B9R1.69 CC1=CC(N)=CN=C1Cl 1247 [1,0,0,0,0,0|3,0,0]=4 559 B9R1.69 CC1=CC(N)=CN=C1F 1258 [1,0,0,0,0,0|3,0,0]=4 560 B9R1.69 CC1=CC(N)=CN=C1N 5492 [1,0,0,0,0,0|3,0,0]=4 561 B9R1.69 CC1=CC(N)=NC=C1Br 2241 [1,0,0,0,0,0|3,0,0]=4 562 B9R1.69 CC1=CC(N)=NC=C1Cl 5717 [1,0,0,0,0,0|3,0,0]=4 563 B9R1.69 CC1=CC(N)=NC=C1F 1256 [1,0,0,0,0,0|3,0,0]=4 564 B9R1.69 CC1=CC(N)=NC=C1I 9289 [1,0,0,0,0,0|3,0,0]=4 565 B9R1.69 CC1=CC(N)=NC=C1N 5494 [1,0,0,0,0,0|3,0,0]=4 566 B9R1.69 CC1=CC(O)=C(Br)C=C1 25283 [1,0,0,0,0,0|1,0,0]=2 567 B9R1.69 CC1=CC(O)=C(C)C=C1 21763 [1,0,0,0,0,0|1,0,0]=2 568 B9R1.69 CC1=CC(O)=C(Cl)C=C1 3668 [1,0,0,0,0,0|1,0,0]=2 569 B9R1.69 CC1=CC(O)=C(F)C=C1 1498 [1,0,0,0,0,0|1,0,0]=2 570 B9R1.69 CC1=CC(O)=C(N)C=C1 11254 [1,0,0,0,0,0|1,0,0]=2 571 B9R1.69 CC1=CC(O)=CN=C1Br 5966 [1,0,0,0,0,0|3,0,0]=4 572 B9R1.69 CC1=CC(O)=CN=C1Cl 12478 [1,0,0,0,0,0|3,0,0]=4 573 B9R1.69 CC1=CC(O)=CN=C1F 6320 [1,0,0,0,0,0|3,0,0]=4 574 B9R1.69 CC1=CC(O)=NC=C1Br 6564 [1,0,0,0,0,0|3,0,0]=4 575 B9R1.69 CC1=CC(O)=NC=C1N 6706 [1,0,0,0,0,0|3,0,0]=4 576 B9R1.69 CC1=CC(S)=C(C)C=C1 6811 [1,0,0,0,0,0|1,1,0]=3 577 B9R1.69 CC1=CC(S)=C(N)C=C1 18333 [1,0,0,0,0,0|1,1,0]=3 578 B9R1.69 CC1=CC=C(Br)C(Br)=N1 5401 [1,0,0,0,0,0|3,0,0]=4 579 B9R1.69 CC1=CC=C(Br)C(C)=N1 13806 [1,0,0,0,0,0|2,0,0]=3 580 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 1286 [1,0,0,0,0,0|3,0,0]=4 581 B9R1.69 CC1=CC=C(Br)C(F)=N1 6256 [1,0,0,0,0,0|3,0,0]=4 582 B9R1.69 CC1=CC=C(Br)C(N)=N1 1235 [1,0,0,0,0,0|3,0,0]=4 583 B9R1.69 CC1=CC=C(Br)C(O)=N1 6531 [1,0,0,0,0,0|2,0,0]=3 584 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 5410 [1,0,0,0,0,0|3,0,0]=4 585 B9R1.69 CC1=CC=C(F)C(Br)=N1 3001 [1,0,0,0,0,0|3,0,0]=4 586 B9R1.69 CC1=CC=C(F)C(Cl)=N1 1137 [1,0,0,0,0,0|3,0,0]=4 587 B9R1.69 CC1=CC=C(I)C(F)=N1 17063 [1,0,0,0,0,0|3,0,0]=4 588 B9R1.69 CC1=CC=C(I)C(N)=N1 17046 [1,0,0,0,0,0|3,0,0]=4 589 B9R1.69 CC1=CC=C(N)C(Br)=N1 1239 [1,0,0,0,0,0|3,0,0]=4 590 B9R1.69 CC1=CC=C(N)C(Br)=N1 29222 [1,0,0,0,0,0|3,0,0]=4 591 B9R1.69 CC1=CC=C(N)C(C)=N1 2075 [1,0,0,0,0,0|2,0,0]=3 592 B9R1.69 CC1=CC=C(N)C(Cl)=N1 1245 [1,0,0,0,0,0|3,0,0]=4 593 B9R1.69 CC1=CC=C(N)C(F)=N1 1132 [1,0,0,0,0,0|3,0,0]=4 594 B9R1.69 CC1=CC=C(N)C(N)=N1 5393 [1,0,0,0,0,0|3,0,0]=4 595 B9R1.69 CC1=CC=C(O)C(Br)=N1 5906 [1,0,0,0,0,0|2,0,0]=3 596 B9R1.69 CC1=CC=C(O)C(C)=N1 22495 [1,0,0,0,0,0|1,0,0]=2 597 B9R1.69 CC1=CC=C(O)C(Cl)=N1 6143 [1,0,0,0,0,0|2,0,0]=3 598 B9R1.69 CC1=CC=C(O)C(F)=N1 6285 [1,0,0,0,0,0|2,0,0]=3 599 B9R1.69 CC1=CC=C(O)C(I)=N1 6570 [1,0,0,0,0,0|2,0,0]=3 600 B9R1.69 CC1=CC=C(O)C(N)=N1 5622 [1,0,0,0,0,0|2,0,0]=3 601 B9R1.69 CC1=CN=C(Br)C(Br)=C1 5399 [1,0,0,0,0,0|3,0,0]=4 602 B9R1.69 CC1=CN=C(Br)C(C)=C1 16831 [1,0,0,0,0,0|2,0,0]=3 603 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 5775 [1,0,0,0,0,0|3,0,0]=4 604 B9R1.69 CC1=CN=C(Br)C(F)=C1 21377 [1,0,0,0,0,0|3,0,0]=4 605 B9R1.69 CC1=CN=C(Br)C(I)=C1 5912 [1,0,0,0,0,0|3,0,0]=4 606 B9R1.69 CC1=CN=C(Br)C(N)=C1 5762 [1,0,0,0,0,0|3,0,0]=4 607 B9R1.69 CC1=CN=C(Br)C(O)=C1 5904 [1,0,0,0,0,0|2,0,0]=3 608 B9R1.69 CC1=CN=C(C)C(Br)=C1 35361 [1,0,0,0,0,0|3,0,0]=4 609 B9R1.69 CC1=CN=C(C)C(C)=C1 15901 [1,0,0,0,0,0|2,0,0]=3 610 B9R1.69 CC1=CN=C(C)C(C)=N1 8613 [1,0,0,0,0,0|3,0,0]=4 611 B9R1.69 CC1=CN=C(C)C=C1Br 45193 [1,0,0,0,0,0|3,0,0]=4 612 B9R1.69 CC1=CN=C(C)N=C1O 26180 [1,0,0,0,0,0|3,0,0]=4 613 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 1167 [1,0,0,0,0,0|3,0,0]=4 614 B9R1.69 CC1=CN=C(Cl)C(C)=N1 32130 [1,0,0,0,0,0|3,0,0]=4 615 B9R1.69 CC1=CN=C(Cl)C(Cl)=C1 5409 [1,0,0,0,0,0|3,0,0]=4 616 B9R1.69 CC1=CN=C(Cl)C(F)=C1 14231 [1,0,0,0,0,0|3,0,0]=4 617 B9R1.69 CC1=CN=C(Cl)C(I)=C1 6144 [1,0,0,0,0,0|3,0,0]=4 618 B9R1.69 CC1=CN=C(Cl)C(N)=C1 1152 [1,0,0,0,0,0|3,0,0]=4 619 B9R1.69 CC1=CN=C(Cl)C(O)=C1 6141 [1,0,0,0,0,0|2,0,0]=3 620 B9R1.69 CC1=CN=C(F)C(Br)=C1 6249 [1,0,0,0,0,0|3,0,0]=4 621 B9R1.69 CC1=CN=C(F)C(F)=C1 22307 [1,0,0,0,0,0|3,0,0]=4 622 B9R1.69 CC1=CN=C(F)C(I)=C1 1304 [1,0,0,0,0,0|3,0,0]=4 623 B9R1.69 CC1=CN=C(N)C(Br)=C1 2240 [1,0,0,0,0,0|3,0,0]=4 624 B9R1.69 CC1=CN=C(N)C(C)=N1 32155 [1,0,0,0,0,0|3,0,0]=4 625 B9R1.69 CC1=CN=C(N)C(Cl)=C1 10522 [1,0,0,0,0,0|3,0,0]=4 626 B9R1.69 CC1=CN=C(N)C(I)=C1 26706 [1,0,0,0,0,0|3,0,0]=4 627 B9R1.69 CC1=CN=C(N)C(O)=C1 5621 [1,0,0,0,0,0|2,0,0]=3 628 B9R1.69 CC1=CN=C(O)C(Br)=C1 6529 [1,0,0,0,0,0|2,0,0]=3 629 B9R1.69 CC1=CN=C(O)C(I)=C1 26967 [1,0,0,0,0,0|2,0,0]=3 630 B9R1.69 CC1=CN=C(O)C(N)=C1 6518 [1,0,0,0,0,0|2,0,0]=3 631 B9R1.69 CC1=NC(Br)=CC=C1Br 3580 [1,0,0,0,0,0|3,0,0]=4 632 B9R1.69 CC1=NC(Br)=CC=C1Cl 27063 [1,0,0,0,0,0|3,0,0]=4 633 B9R1.69 CC1=NC(Cl)=CC=C1N 1246 [1,0,0,0,0,0|3,0,0]=4 634 B9R1.69 CC1=NC(F)=CC=C1N 1131 [1,0,0,0,0,0|3,0,0]=4 635 B9R1.69 CC1=NC=C(Br)C(Cl)=C1 6670 [1,0,0,0,0,0|3,0,0]=4 636 B9R1.69 CC1=NC=C(F)C(Cl)=C1 6671 [1,0,0,0,0,0|3,0,0]=4 637 B9R1.69 CC1=NC=C(N)C(C)=N1 22767 [1,0,0,0,0,0|3,0,0]=4 638 B9R1.69 CN1C=C(Br)C=CC1=O 33527 [1,0,0,0,0,0|2,0,1]=4 639 B9R1.69 CN1C=C(N)C=CC1=O 27642 [1,0,0,0,0,0|2,0,1]=4 640 B9R1.69 ClC1=C(Br)C=CC(Br)=C1 3633 [1,0,0,0,0,0|3,0,0]=4 641 B9R1.69 ClC1=C(Br)C=CC(I)=C1 16805 [1,0,0,0,0,0|3,0,0]=4 642 B9R1.69 ClC1=C(Cl)C=C(Br)C=C1 3611 [1,0,0,0,0,0|3,0,0]=4 643 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 3691 [1,0,0,0,0,0|3,0,0]=4 644 B9R1.69 ClC1=C(I)C=C(Br)C=C1 35933 [1,0,0,0,0,0|3,0,0]=4 645 B9R1.69 ClC1=C(I)C=CC(Br)=C1 3592 [1,0,0,0,0,0|3,0,0]=4 646 B9R1.69 ClC1=C(I)C=CC(I)=C1 24307 [1,0,0,0,0,0|3,0,0]=4 647 B9R1.69 ClC1=CC(Br)=C(Cl)C=C1 3609 [1,0,0,0,0,0|3,0,0]=4 648 B9R1.69 ClC1=CC(Cl)=C(Br)C=C1 3608 [1,0,0,0,0,0|3,0,0]=4 649 B9R1.69 ClC1=CC(Cl)=C(I)C=C1 3692 [1,0,0,0,0,0|3,0,0]=4 650 B9R1.69 ClC1=CC(I)=C(Cl)C=C1 3694 [1,0,0,0,0,0|3,0,0]=4 651 B9R1.69 Clc1cc(I)ccc1Br 4272 [1,0,0,0,0,0|3,0,0]=4 652 B9R1.69 Clc1ccc(I)c(Br)c1 27432 [1,0,0,0,0,0|3,0,0]=4 653 B9R1.69 FC1=C(Br)C=C(Br)C=C1 3446 [1,0,0,0,0,0|3,0,0]=4 654 B9R1.69 FC1=C(Br)C=C(Cl)C=C1 3210 [1,0,0,0,0,0|3,0,0]=4 655 B9R1.69 FC1=C(Br)C=C(I)C=C1 13485 [1,0,0,0,0,0|3,0,0]=4 656 B9R1.69 FC1=C(Br)C=CC(Br)=C1 3448 [1,0,0,0,0,0|3,0,0]=4 657 B9R1.69 FC1=C(Br)C=CC(Cl)=C1 3209 [1,0,0,0,0,0|3,0,0]=4 658 B9R1.69 FC1=C(Br)C=CC(I)=C1 3231 [1,0,0,0,0,0|3,0,0]=4 659 B9R1.69 FC1=C(Cl)C=C(Br)C=C1 2169 [1,0,0,0,0,0|3,0,0]=4 660 B9R1.69 FC1=C(Cl)C=C(Cl)C=C1 2312 [1,0,0,0,0,0|3,0,0]=4 661 B9R1.69 FC1=C(Cl)C=C(I)C=C1 3433 [1,0,0,0,0,0|3,0,0]=4 662 B9R1.69 FC1=C(Cl)C=C(S)C=C1 2857 [1,0,0,0,0,0|3,0,0]=4 663 B9R1.69 FC1=C(Cl)C=CC(Br)=C1 2255 [1,0,0,0,0,0|3,0,0]=4 664 B9R1.69 FC1=C(Cl)C=CC(Cl)=C1 3454 [1,0,0,0,0,0|3,0,0]=4 665 B9R1.69 FC1=C(Cl)C=CC(I)=C1 9517 [1,0,0,0,0,0|3,0,0]=4 666 B9R1.69 FC1=C(F)C=C(Br)C=C1 2303 [1,0,0,0,0,0|3,0,0]=4 667 B9R1.69 FC1=C(F)C=C(Cl)C=C1 3417 [1,0,0,0,0,0|3,0,0]=4 668 B9R1.69 FC1=C(F)C=C(I)C=C1 3461 [1,0,0,0,0,0|3,0,0]=4 669 B9R1.69 FC1=C(F)C=C(S)C=C1 6772 [1,0,0,0,0,0|3,0,0]=4 670 B9R1.69 FC1=C(I)C=C(Br)C=C1 4294 [1,0,0,0,0,0|3,0,0]=4 671 B9R1.69 FC1=C(I)C=C(Cl)C=C1 8538 [1,0,0,0,0,0|3,0,0]=4 672 B9R1.69 FC1=C(I)C=CC(Br)=C1 3232 [1,0,0,0,0,0|3,0,0]=4 673 B9R1.69 FC1=C(I)C=CC(I)=C1 4404 [1,0,0,0,0,0|3,0,0]=4 674 B9R1.69 FC1=C(S)C=CC(Br)=C1 28392 [1,0,0,0,0,0|2,1,0]=4 675 B9R1.69 FC1=CC(Br)=C(Br)C=C1 3445 [1,0,0,0,0,0|3,0,0]=4 676 B9R1.69 FC1=CC(Br)=C(F)C=C1 2302 [1,0,0,0,0,0|3,0,0]=4 677 B9R1.69 FC1=CC(Br)=C(I)C=C1 3234 [1,0,0,0,0,0|3,0,0]=4 678 B9R1.69 FC1=CC(Cl)=C(Br)C=C1 3755 [1,0,0,0,0,0|3,0,0]=4 679 B9R1.69 FC1=CC(Cl)=C(Cl)C=C1 3453 [1,0,0,0,0,0|3,0,0]=4 680 B9R1.69 FC1=CC(Cl)=C(F)C=C1 8529 [1,0,0,0,0,0|3,0,0]=4 681 B9R1.69 FC1=CC(Cl)=C(I)C=C1 3434 [1,0,0,0,0,0|3,0,0]=4 682 B9R1.69 FC1=CC(Cl)=C(S)C=C1 2850 [1,0,0,0,0,0|2,1,0]=4 683 B9R1.69 FC1=CC(F)=C(Br)C=C1 2301 [1,0,0,0,0,0|3,0,0]=4 684 B9R1.69 FC1=CC(F)=C(Cl)C=C1 3415 [1,0,0,0,0,0|3,0,0]=4 685 B9R1.69 FC1=CC(F)=C(F)C=C1 1068 [1,0,0,0,0,0|3,0,0]=4 686 B9R1.69 FC1=CC(F)=C(I)C=C1 3463 [1,0,0,0,0,0|3,0,0]=4 687 B9R1.69 FC1=CC(F)=C(S)C=C1 2875 [1,0,0,0,0,0|2,1,0]=4 688 B9R1.69 FC1=CC(I)=C(Br)C=C1 3233 [1,0,0,0,0,0|3,0,0]=4 689 B9R1.69 FC1=CC(I)=C(Cl)C=C1 3432 [1,0,0,0,0,0|3,0,0]=4 690 B9R1.69 FC1=CC(I)=C(F)C=C1 4402 [1,0,0,0,0,0|3,0,0]=4 691 B9R1.69 FC1=CC(S)=C(F)C=C1 6873 [1,0,0,0,0,0|2,1,0]=4 692 B9R1.69 FC1=CC=C(Cl)C(F)=C1 4271 [1,0,0,0,0,0|3,0,0]=4 693 B9R1.69 FC1=CC=C(Cl)C=C1F 4274 [1,0,0,0,0,0|3,0,0]=4 694 B9R1.69 Fc1cc(Cl)ccc1I 3435 [1,0,0,0,0,0|3,0,0]=4 695 B9R1.69 Fc1ccc(Cl)c(Br)c1 4270 [1,0,0,0,0,0|3,0,0]=4 696 B9R1.69 NC1=C(Br)C=C(Br)C=C1 3447 [1,0,0,0,0,0|3,0,0]=4 697 B9R1.69 NC1=C(Br)C=C(Cl)C=C1 3576 [1,0,0,0,0,0|3,0,0]=4 698 B9R1.69 NC1=C(Br)C=C(F)C=C1 2918 [1,0,0,0,0,0|3,0,0]=4 699 B9R1.69 NC1=C(Br)C=C(I)C=C1 5331 [1,0,0,0,0,0|3,0,0]=4 700 B9R1.69 NC1=C(Br)C=CC(Br)=C1 3452 [1,0,0,0,0,0|3,0,0]=4 701 B9R1.69 NC1=C(Br)C=CC(Cl)=C1 3577 [1,0,0,0,0,0|3,0,0]=4 702 B9R1.69 NC1=C(Br)C=CC(F)=C1 1524 [1,0,0,0,0,0|3,0,0]=4 703 B9R1.69 NC1=C(Br)C=CC(O)=C1 32237 [1,0,0,0,0,0|3,0,0]=4 704 B9R1.69 NC1=C(Cl)C=C(Br)C=C1 3578 [1,0,0,0,0,0|3,0,0]=4 705 B9R1.69 NC1=C(Cl)C=C(Cl)C=C1 20789 [1,0,0,0,0,0|3,0,0]=4 706 B9R1.69 NC1=C(Cl)C=C(F)C=C1 2943 [1,0,0,0,0,0|3,0,0]=4 707 B9R1.69 NC1=C(Cl)C=C(I)C=C1 3811 [1,0,0,0,0,0|3,0,0]=4 708 B9R1.69 NC1=C(Cl)C=C(O)C=C1 29212 [1,0,0,0,0,0|3,0,0]=4 709 B9R1.69 NC1=C(Cl)C=C(O)C=C1 4513 [1,0,0,0,0,0|3,0,0]=4 710 B9R1.69 NC1=C(Cl)C=CC(Cl)=C1 10755 [1,0,0,0,0,0|3,0,0]=4 711 B9R1.69 NC1=C(Cl)C=CC(F)=C1 1517 [1,0,0,0,0,0|3,0,0]=4 712 B9R1.69 NC1=C(F)C=C(Br)C=C1 1525 [1,0,0,0,0,0|3,0,0]=4 713 B9R1.69 NC1=C(F)C=C(Br)C=C1 5316 [1,0,0,0,0,0|3,0,0]=4 714 B9R1.69 NC1=C(F)C=C(Cl)C=C1 1514 [1,0,0,0,0,0|3,0,0]=4 715 B9R1.69 NC1=C(F)C=C(F)C=C1 2294 [1,0,0,0,0,0|3,0,0]=4 716 B9R1.69 NC1=C(F)C=C(I)C=C1 1532 [1,0,0,0,0,0|3,0,0]=4 717 B9R1.69 NC1=C(F)C=C(O)C=C1 19088 [1,0,0,0,0,0|3,0,0]=4 718 B9R1.69 NC1=C(F)C=C(O)C=C1 2832 [1,0,0,0,0,0|3,0,0]=4 719 B9R1.69 NC1=C(F)C=C(S)C=C1 6878 [1,0,0,0,0,0|3,0,0]=4 720 B9R1.69 NC1=C(F)C=CC(Br)=C1 13482 [1,0,0,0,0,0|3,0,0]=4 721 B9R1.69 NC1=C(F)C=CC(Br)=C1 5319 [1,0,0,0,0,0|3,0,0]=4 722 B9R1.69 NC1=C(F)C=CC(Cl)=C1 1515 [1,0,0,0,0,0|3,0,0]=4 723 B9R1.69 NC1=C(F)C=CC(F)=C1 1531 [1,0,0,0,0,0|3,0,0]=4 724 B9R1.69 NC1=C(F)C=CC(O)=C1 4776 [1,0,0,0,0,0|3,0,0]=4 725 B9R1.69 NC1=C(I)C=C(Br)C=C1 3784 [1,0,0,0,0,0|3,0,0]=4 726 B9R1.69 NC1=C(I)C=C(Cl)C=C1 3645 [1,0,0,0,0,0|3,0,0]=4 727 B9R1.69 NC1=C(I)C=C(F)C=C1 3413 [1,0,0,0,0,0|3,0,0]=4 728 B9R1.69 NC1=C(I)C=CC(Br)=C1 5332 [1,0,0,0,0,0|3,0,0]=4 729 B9R1.69 NC1=C(I)C=CC(Cl)=C1 5286 [1,0,0,0,0,0|3,0,0]=4 730 B9R1.69 NC1=C(I)C=CC(F)=C1 1535 [1,0,0,0,0,0|3,0,0]=4 731 B9R1.69 NC1=C(N)C=C(Br)C=C1 4315 [1,0,0,0,0,0|3,0,0]=4 732 B9R1.69 NC1=C(N)C=C(Cl)C=C1 4350 [1,0,0,0,0,0|3,0,0]=4 733 B9R1.69 NC1=C(N)C=C(I)C=C1 28451 [1,0,0,0,0,0|3,0,0]=4 734 B9R1.69 NC1=C(O)C=C(Br)C=C1 10469 [1,0,0,0,0,0|2,0,0]=3 735 B9R1.69 NC1=C(O)C=C(Cl)C=C1 1478 [1,0,0,0,0,0|2,0,0]=3 736 B9R1.69 NC1=C(O)C=C(F)C=C1 2828 [1,0,0,0,0,0|2,0,0]=3 737 B9R1.69 NC1=C(O)C=C(O)C=C1 27733 [1,0,0,0,0,0|2,0,0]=3 738 B9R1.69 NC1=C(O)C=CC(Br)=C1 4511 [1,0,0,0,0,0|2,0,0]=3 739 B9R1.69 NC1=C(O)C=CC(F)=C1 2825 [1,0,0,0,0,0|2,0,0]=3 740 B9R1.69 NC1=C(O)C=NC(Cl)=C1 24434 [1,0,0,0,0,0|3,0,0]=4 741 B9R1.69 NC1=C(S)C=C(Br)C=C1 21899 [1,0,0,0,0,0|2,1,0]=4 742 B9R1.69 NC1=C(S)C=C(Cl)C=C1 21806 [1,0,0,0,0,0|2,1,0]=4 743 B9R1.69 NC1=C(S)C=C(F)C=C1 21900 [1,0,0,0,0,0|2,1,0]=4 744 B9R1.69 NC1=C(S)C=CC(Cl)=C1 5427 [1,0,0,0,0,0|2,1,0]=4 745 B9R1.69 NC1=CC(Br)=C(Cl)C=C1 5307 [1,0,0,0,0,0|3,0,0]=4 746 B9R1.69 NC1=CC(Br)=C(F)C=C1 2924 [1,0,0,0,0,0|3,0,0]=4 747 B9R1.69 NC1=CC(Br)=C(I)C=C1 5323 [1,0,0,0,0,0|3,0,0]=4 748 B9R1.69 NC1=CC(Br)=C(N)C=C1 28448 [1,0,0,0,0,0|3,0,0]=4 749 B9R1.69 NC1=CC(Br)=C(O)C=C1 31097 [1,0,0,0,0,0|2,0,0]=3 750 B9R1.69 NC1=CC(Br)=CC=C1Cl 3132 [1,0,0,0,0,0|3,0,0]=4 751 B9R1.69 NC1=CC(Br)=CN=C1O 6513 [1,0,0,0,0,0|3,0,0]=4 752 B9R1.69 NC1=CC(Cl)=C(Br)C=C1 3579 [1,0,0,0,0,0|3,0,0]=4 753 B9R1.69 NC1=CC(Cl)=C(Cl)C=C1 2563 [1,0,0,0,0,0|3,0,0]=4 754 B9R1.69 NC1=CC(Cl)=C(F)C=C1 2951 [1,0,0,0,0,0|3,0,0]=4 755 B9R1.69 NC1=CC(Cl)=C(I)C=C1 3812 [1,0,0,0,0,0|3,0,0]=4 756 B9R1.69 NC1=CC(Cl)=C(O)C=C1 18907 [1,0,0,0,0,0|2,0,0]=3 757 B9R1.69 NC1=CC(Cl)=CN=C1O 6515 [1,0,0,0,0,0|3,0,0]=4 758 B9R1.69 NC1=CC(F)=C(Br)C=C1 1526 [1,0,0,0,0,0|3,0,0]=4 759 B9R1.69 NC1=CC(F)=C(Cl)C=C1 1516 [1,0,0,0,0,0|3,0,0]=4 760 B9R1.69 NC1=CC(F)=C(F)C=C1 2295 [1,0,0,0,0,0|3,0,0]=4 761 B9R1.69 NC1=CC(F)=C(I)C=C1 1534 [1,0,0,0,0,0|3,0,0]=4 762 B9R1.69 NC1=CC(F)=C(O)C=C1 2831 [1,0,0,0,0,0|2,0,0]=3 763 B9R1.69 NC1=CC(I)=C(N)C=C1 13068 [1,0,0,0,0,0|3,0,0]=4 764 B9R1.69 NC1=CC(N)=C(Br)C=C1 27515 [1,0,0,0,0,0|3,0,0]=4 765 B9R1.69 NC1=CC(N)=C(F)C=C1 2538 [1,0,0,0,0,0|3,0,0]=4 766 B9R1.69 NC1=CC(O)=C(Cl)C=C1 21902 [1,0,0,0,0,0|2,0,0]=3 767 B9R1.69 NC1=CC(O)=CN=C1O 5518 [1,0,0,0,0,0|3,0,0]=4 768 B9R1.69 NC1=CC=C(F)C=C1N 4357 [1,0,0,0,0,0|3,0,0]=4 769 B9R1.69 NC1=CN=C(Cl)C=C1O 24435 [1,0,0,0,0,0|3,0,0]=4 770 B9R1.69 NC1=CN=C(O)C(N)=C1 6446 [1,0,0,0,0,0|3,0,0]=4 771 B9R1.69 NC1=NC=C(Br)C=C1O 18742 [1,0,0,0,0,0|3,0,0]=4 772 B9R1.69 NC1=NC=C(F)C=C1O 5620 [1,0,0,0,0,0|3,0,0]=4 773 B9R1.69 OC1=C(Br)C=C(Cl)C=C1 3594 [1,0,0,0,0,0|2,0,0]=3 774 B9R1.69 OC1=C(Br)C=C(F)C=C1 1485 [1,0,0,0,0,0|2,0,0]=3 775 B9R1.69 OC1=C(Br)C=C(I)C=C1 27942 [1,0,0,0,0,0|2,0,0]=3 776 B9R1.69 OC1=C(Br)C=CC(Br)=C1 14527 [1,0,0,0,0,0|2,0,0]=3 777 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 10956 [1,0,0,0,0,0|2,0,0]=3 778 B9R1.69 OC1=C(Br)C=CC(F)=C1 1964 [1,0,0,0,0,0|2,0,0]=3 779 B9R1.69 OC1=C(Cl)C=C(Br)C=C1 3596 [1,0,0,0,0,0|2,0,0]=3 780 B9R1.69 OC1=C(Cl)C=C(F)C=C1 2372 [1,0,0,0,0,0|2,0,0]=3 781 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 1476 [1,0,0,0,0,0|2,0,0]=3 782 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 24852 [1,0,0,0,0,0|2,0,0]=3 783 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 3697 [1,0,0,0,0,0|2,0,0]=3 784 B9R1.69 OC1=C(Cl)C=CC(F)=C1 2146 [1,0,0,0,0,0|2,0,0]=3 785 B9R1.69 OC1=C(Cl)C=CC(I)=C1 3651 [1,0,0,0,0,0|2,0,0]=3 786 B9R1.69 OC1=C(F)C=C(Br)C=C1 1488 [1,0,0,0,0,0|2,0,0]=3 787 B9R1.69 OC1=C(F)C=C(Cl)C=C1 2861 [1,0,0,0,0,0|2,0,0]=3 788 B9R1.69 OC1=C(F)C=C(F)C=C1 2874 [1,0,0,0,0,0|2,0,0]=3 789 B9R1.69 OC1=C(F)C=C(I)C=C1 26350 [1,0,0,0,0,0|2,0,0]=3 790 B9R1.69 OC1=C(F)C=CC(Br)=C1 1490 [1,0,0,0,0,0|2,0,0]=3 791 B9R1.69 OC1=C(F)C=CC(Cl)=C1 1492 [1,0,0,0,0,0|2,0,0]=3 792 B9R1.69 OC1=C(F)C=CC(F)=C1 3464 [1,0,0,0,0,0|2,0,0]=3 793 B9R1.69 OC1=C(F)C=CC(I)=C1 18134 [1,0,0,0,0,0|2,0,0]=3 794 B9R1.69 OC1=C(I)C=C(Br)C=C1 28356 [1,0,0,0,0,0|2,0,0]=3 795 B9R1.69 OC1=C(I)C=C(Cl)C=C1 28364 [1,0,0,0,0,0|2,0,0]=3 796 B9R1.69 OC1=C(I)C=C(F)C=C1 28090 [1,0,0,0,0,0|2,0,0]=3 797 B9R1.69 OC1=C(I)C=CC(Br)=C1 31124 [1,0,0,0,0,0|2,0,0]=3 798 B9R1.69 OC1=C(I)C=CC(Cl)=C1 9582 [1,0,0,0,0,0|2,0,0]=3 799 B9R1.69 OC1=C(I)C=CC(F)=C1 28089 [1,0,0,0,0,0|2,0,0]=3 800 B9R1.69 OC1=C(I)C=CC(I)=C1 28127 [1,0,0,0,0,0|2,0,0]=3 801 B9R1.69 OC1=CC(Br)=C(Br)C=C1 33264 [1,0,0,0,0,0|3,0,0]=4 802 B9R1.69 OC1=CC(Br)=C(Cl)C=C1 3595 [1,0,0,0,0,0|3,0,0]=4 803 B9R1.69 OC1=CC(Br)=C(F)C=C1 1486 [1,0,0,0,0,0|3,0,0]=4 804 B9R1.69 OC1=CC(Br)=CN=C1Cl 35784 [1,0,0,0,0,0|3,0,0]=4 805 B9R1.69 OC1=CC(Br)=CN=C1I 26867 [1,0,0,0,0,0|3,0,0]=4 806 B9R1.69 OC1=CC(Br)=CN=C1O 5415 [1,0,0,0,0,0|2,0,0]=3 807 B9R1.69 OC1=CC(Cl)=C(Br)C=C1 3597 [1,0,0,0,0,0|3,0,0]=4 808 B9R1.69 OC1=CC(Cl)=C(Cl)C=C1 3698 [1,0,0,0,0,0|3,0,0]=4 809 B9R1.69 OC1=CC(Cl)=C(F)C=C1 2856 [1,0,0,0,0,0|3,0,0]=4 810 B9R1.69 OC1=CC(Cl)=C(I)C=C1 27608 [1,0,0,0,0,0|3,0,0]=4 811 B9R1.69 OC1=CC(Cl)=CN=C1Br 5893 [1,0,0,0,0,0|3,0,0]=4 812 B9R1.69 OC1=CC(Cl)=CN=C1Cl 26871 [1,0,0,0,0,0|3,0,0]=4 813 B9R1.69 OC1=CC(Cl)=CN=C1F 6268 [1,0,0,0,0,0|3,0,0]=4 814 B9R1.69 OC1=CC(Cl)=CN=C1O 5416 [1,0,0,0,0,0|2,0,0]=3 815 B9R1.69 OC1=CC(F)=C(Br)C=C1 1489 [1,0,0,0,0,0|3,0,0]=4 816 B9R1.69 OC1=CC(F)=C(Cl)C=C1 1493 [1,0,0,0,0,0|3,0,0]=4 817 B9R1.69 OC1=CC(F)=C(F)C=C1 2315 [1,0,0,0,0,0|3,0,0]=4 818 B9R1.69 OC1=CC(F)=C(I)C=C1 27944 [1,0,0,0,0,0|3,0,0]=4 819 B9R1.69 OC1=CC(F)=C(O)C=C1 16452 [1,0,0,0,0,0|2,0,0]=3 820 B9R1.69 OC1=CC(F)=CN=C1Br 10597 [1,0,0,0,0,0|3,0,0]=4 821 B9R1.69 OC1=CC(F)=CN=C1Cl 17054 [1,0,0,0,0,0|3,0,0]=4 822 B9R1.69 OC1=CC(I)=C(Cl)C=C1 28365 [1,0,0,0,0,0|3,0,0]=4 823 B9R1.69 OC1=CC(I)=C(F)C=C1 33431 [1,0,0,0,0,0|3,0,0]=4 824 B9R1.69 OC1=CC(O)=C(Br)C=C1 27082 [1,0,0,0,0,0|2,0,0]=3 825 B9R1.69 OC1=CC(O)=C(Cl)C=C1 44767 [1,0,0,0,0,0|2,0,0]=3 826 B9R1.69 OC1=CC(O)=C(F)C=C1 22656 [1,0,0,0,0,0|2,0,0]=3 827 B9R1.69 OC1=CC(O)=NC=C1Cl 19875 [1,0,0,0,0,0|3,0,0]=4 828 B9R1.69 OC1=CC=C(Cl)C=C1Cl 22008 [1,0,0,0,0,0|2,0,0]=3 829 B9R1.69 OC1=CC=C(Cl)C=C1O 2215 [1,0,0,0,0,0|1,0,0]=2 830 B9R1.69 OC1=CC=C(F)C=C1O 4143 [1,0,0,0,0,0|1,0,0]=2 831 B9R1.69 OC1=CC=C(F)N=C1Br 36086 [1,0,0,0,0,0|3,0,0]=4 832 B9R1.69 OC1=CC=C(F)N=C1F 22312 [1,0,0,0,0,0|3,0,0]=4 833 B9R1.69 OC1=CN=C(O)N=C1O 9614 [1,0,0,0,0,0|3,0,0]=4 834 B9R1.69 OC1=NC=C(Br)C=C1Br 6448 [1,0,0,0,0,0|3,0,0]=4 835 B9R1.69 OC1=NC=C(Br)C=C1I 26900 [1,0,0,0,0,0|3,0,0]=4 836 B9R1.69 OC1=NC=C(Cl)C=C1Br 6524 [1,0,0,0,0,0|3,0,0]=4 837 B9R1.69 OC1=NC=C(Cl)C=C1Cl 6510 [1,0,0,0,0,0|3,0,0]=4 838 B9R1.69 OC1=NC=C(Cl)C=C1F 6542 [1,0,0,0,0,0|3,0,0]=4 839 B9R1.69 OC1=NC=C(F)C=C1Br 14287 [1,0,0,0,0,0|3,0,0]=4 840 B9R1.69 OC1=NC=C(F)C=C1I 23345 [1,0,0,0,0,0|3,0,0]=4 841 B9R1.69 SC1=C(Cl)C=C(Cl)C=C1 6798 [1,0,0,0,0,0|2,1,0]=4 842 B9R1.69 SC1=C(Cl)C=CC(Cl)=C1 6801 [1,0,0,0,0,0|2,1,0]=4 843 B9R1.69 SC1=CC(Cl)=C(Cl)C=C1 6803 [1,0,0,0,0,0|3,0,0]=4 844 B11R1.8 CC1=CC(Br)=CC(C#N)=C1O 30810 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.8 CC1=CC(C#N)=C(F)C(F)=C1 8337 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.8 CC1=CC(Cl)=CC(CO)=C1O 22532 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.8 COC1=C(C)C(C)=CC(C)=C1 2688 [0,1,0,0,0,0|1,0,0]=2 848 B11R1.8 COC1=C(F)C(F)=CC(Br)=C1 14832 [0,1,0,0,0,0|2,0,0]=3 849 B11R1.8 COC1=C(N)C(C)=CC(Br)=C1 19713 [0,1,0,0,0,0|2,0,0]=3 850 B11R1.8 COC1=C(N)C(Cl)=NC(C)=N1 29066 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.8 N#CC1=C(O)C(F)=CC(F)=C1 34807 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.8 N#CC1=C(O)C(N)=CC(Br)=C1 34189 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.8 O=CC1=C(O)C(Br)=CC(Br)=C1 3849 [0,1,0,0,0,0|3,0,0]=4 854 B11R1.8 O=CC1=C(O)C(Br)=CC(Cl)=C1 3591 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.8 O=CC1=C(O)C(Cl)=CC(F)=C1 10086 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.8 O=CC1=C(O)C(F)=CC(Br)=C1 8370 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.8 O=CC1=CC(Cl)=CC(Cl)=C1O 8246 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.37 C#CC1=C(OC)C=C(O)C=C1 45209 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.37 CC1=CC(C#N)=C(C=O)C=C1 27853 [0,1,0,0,0,0|2,0,1]=4 860 B11R1.37 CC1=CC=C(C#N)C(C#N)=C1 26842 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.37 CCC1=C(C=O)C=CC(O)=C1 28097 [0,1,0,0,0,0|2,0,1]=4 862 B11R1.37 COC1=C(C#N)C=C(Br)C=C1 33822 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.37 COC1=C(C#N)C=C(Cl)C=C1 3662 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.37 COC1=C(C#N)C=C(F)C=C1 3502 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.37 COC1=C(C#N)C=C(I)C=C1 8166 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 12802 [0,1,0,0,0,0|2,0,0]=3 867 B11R1.37 COC1=C(C#N)C=CC(C)=C1 28757 [0,1,0,0,0,0|1,0,0]=2 868 B11R1.37 COC1=C(C#N)C=CC(F)=C1 4786 [0,1,0,0,0,0|2,0,0]=3 869 B11R1.37 COC1=C(C#N)C=CC(O)=C1 27703 [0,1,0,0,0,0|2,0,0]=3 870 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 2644 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 2639 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.37 COC1=C(C=O)C=C(F)C=C1 2636 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 30906 [0,1,0,0,0,0|1,0,1]=3 874 B11R1.37 COC1=C(C=O)C=CC(C)=C1 18122 [0,1,0,0,0,0|0,0,1]=2 875 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 28397 [0,1,0,0,0,0|1,0,1]=3 876 B11R1.37 COC1=C(C=O)C=CC(F)=C1 2635 [0,1,0,0,0,0|1,0,1]=3 877 B11R1.37 COC1=C(C=O)C=CC(F)=N1 27961 [0,1,0,0,0,0|2,0,1]=4 878 B11R1.37 COC1=C(C=O)C=CC(O)=C1 8130 [0,1,0,0,0,0|1,0,1]=3 879 B11R1.37 COC1=C(CBr)C=C(F)C=C1 4924 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 31309 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.37 COC1=C(CBr)C=CC(F)=C1 31307 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.37 COC1=C(CN)C=CC(F)=C1 31244 [0,1,0,0,0,0|2,0,0]=3 883 B11R1.37 COC1=C(CO)C=C(Br)C=C1 4888 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.37 COC1=C(CO)C=C(F)C=C1 27472 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.37 COC1=C(CO)C=CC(F)=C1 31306 [0,1,0,0,0,0|1,0,0]=2 886 B11R1.37 COC1=C(NN)C=C(Cl)C=C1 4473 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 34865 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.37 COC1=C(OC)C=C(Br)C=C1 3037 [0,1,0,0,0,0|1,0,0]=2 889 B11R1.37 COC1=C(OC)C=C(C)C=C1 23595 [0,1,0,0,0,0|0,0,0]=1 890 B11R1.37 COC1=C(OC)C=C(Cl)C=C1 25469 [0,1,0,0,0,0|1,0,0]=2 891 B11R1.37 COC1=C(OC)C=C(I)C=C1 3052 [0,1,0,0,0,0|1,0,0]=2 892 B11R1.37 COC1=C(OC)C=C(N)C=C1 22907 [0,1,0,0,0,0|1,0,0]=2 893 B11R1.37 COC1=C(OC)C=C(O)C=C1 4113 [0,1,0,0,0,0|1,0,0]=2 894 B11R1.37 COC1=C(OC)C=C(S)C=C1 6823 [0,1,0,0,0,0|1,0,0]=2 895 B11R1.37 COC1=CC(Br)=CN=C1C#N 16550 [0,1,0,0,0,0|3,0,0]=4 896 B11R1.37 COC1=CC(Cl)=CN=C1OC 26919 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.37 COC1=CC=C(F)C=C1OC 3048 [0,1,0,0,0,0|1,0,0]=2 898 B11R1.37 OCC1=CC=C(F)C=C1CO 2198 [0,1,0,0,0,0|3,0,0]=4 899 B11R1.72 CC1=C(F)C(C=O)=C(Br)C=C1 30995 [0,1,0,0,0,0|3,0,0]=4 900 B11R1.72 CC1=CC=C(Cl)C(C=O)=C1F 2895 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.72 CC1=CC=C(F)C(C=O)=C1Cl 2882 [0,1,0,0,0,0|3,0,0]=4 902 B11R1.72 CC1=CC=C(F)C(C=O)=C1F 7147 [0,1,0,0,0,0|3,0,0]=4 903 B11R1.72 COC1=C(Br)C=CC(F)=C1F 34206 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.72 COC1=C(Cl)C(C)=CC=C1F 8449 [0,1,0,0,0,0|1,0,0]=2 905 B11R1.72 COC1=C(Cl)C(F)=CC=C1F 8440 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.72 COC1=C(F)C(C)=CC=C1Cl 8450 [0,1,0,0,0,0|1,0,0]=2 907 B11R1.72 COC1=C(F)C(C)=CC=C1F 7145 [0,1,0,0,0,0|1,0,0]=2 908 B11R1.72 COC1=C(F)C(Cl)=CC=C1F 8441 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.72 COC1=C(F)C(F)=CC=C1F 1965 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.72 COC1=C(F)C(F)=CC=C1N 28341 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.72 COC1=C(O)C(F)=CC=C1Br 33736 [0,1,0,0,0,0|2,0,0]=3 912 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 23873 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 3214 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 29260 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 10586 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 4193 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 16430 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 4237 [0,1,0,0,0,0|2,0,0]=3 919 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 8394 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 29131 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 29152 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 15742 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 15829 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 26324 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 33711 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 3913 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 16936 [0,1,0,0,0,0|1,0,0]=2 928 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 3353 [0,1,0,0,0,0|2,0,0]=3 929 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 3356 [0,1,0,0,0,0|2,0,0]=3 930 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 17597 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 3377 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl 27246 [0,1,0,0,0,0|3,0,0]=4 933 B11R1.167 CC(C)C1=C(O)C=CC(Br)=C1 34492 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.167 CC(C)C1=C(O)C=CC(Cl)=C1 27613 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.167 CC(O)C1=C(F)C=CC(Br)=C1 20348 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.167 CC1=C(C(C)C)C=C(Br)C=C1 34618 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.167 CC1=CC(B(O)O)=C(C)C=C1 1831 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.167 CC1=CC(B(O)O)=C(Cl)C=C1 23777 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.167 CC1=CC(B(O)O)=C(F)C=C1 23774 [0,1,0,0,0,0|3,0,0]=4 940 B11R1.167 CC1=CC(B(O)O)=C(O)C=C1 32853 [0,1,0,0,0,0|2,0,0]=3 941 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 2166 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 28638 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 12501 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 4750 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 4975 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 4954 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.167 CC1=CC(C(=O)[O-])=C(I)C=C1 29722 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.167 CC1=CC(C(N)=O)=C(N)C=C1 13743 [0,1,0,0,0,0|3,0,0]=4 949 B11R1.167 CC1=CC([N+](=O)[O-])=C(Br)C=C1 9585 [0,1,0,0,0,0|3,0,0]=4 950 B11R1.167 CC1=CC([N+](=O)[O-])=C(C)C=C1 25914 [0,1,0,0,0,0|3,0,0]=4 951 B11R1.167 CC1=CC([N+](=O)[O-])=C(Cl)C=C1 19752 [0,1,0,0,0,0|3,0,0]=4 952 B11R1.167 CC1=CC([N+](=O)[O-])=C(F)C=C1 1597 [0,1,0,0,0,0|3,0,0]=4 953 B11R1.167 CC1=CC([N+](=O)[O-])=C(I)C=C1 4550 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.167 CC1=CC([N+](=O)[O-])=C(O)C=C1 12745 [0,1,0,0,0,0|2,0,0]=3 955 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 34738 [0,1,0,0,0,0|3,0,0]=4 956 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=N1 6630 [0,1,0,0,0,0|3,0,0]=4 957 B11R1.167 CC1=CN=C(O)C([N+](=O)[O-])=C1 1204 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1O 25792 [0,1,0,0,0,0|3,0,0]=4 959 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 17623 [0,1,0,0,0,0|3,0,0]=4 960 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 1382 [0,1,0,0,0,0|3,0,0]=4 961 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 3889 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 14414 [0,1,0,0,0,0|3,0,0]=4 963 B11R1.167 O=C([O-])C1=C(O)C=CC(Br)=C1 25682 [0,1,0,0,0,0|3,0,0]=4 964 B11R1.167 O=C([O-])C1=C(O)C=CC(Br)=C1 26261 [0,1,0,0,0,0|3,0,0]=4 965 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(Br)=C1 4099 [0,1,0,0,0,0|3,0,0]=4 966 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(F)=C1 1503 [0,1,0,0,0,0|3,0,0]=4 967 B11R1.167 OB(O)C1=C(O)C=CC(Cl)=C1 19653 [0,1,0,0,0,0|3,0,0]=4 968 B11R1.167 OB(O)C1=C(O)C=CC(F)=C1 19871 [0,1,0,0,0,0|3,0,0]=4 969 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 21905 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.182 CC1=CC(N=C=O)=C(Cl)C=C1 28892 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.182 CC1=CC(N=C=O)=C(F)C=C1 8375 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 1919 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 3157 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 3166 [0,1,0,0,0,0|2,0,0]=3 975 B11R1.277 CC1=CC(C#N)=C(F)C=C1Br 4718 [0,1,0,0,0,0|3,0,0]=4 976 B11R1.277 CC1=CC(C#N)=C(F)C=C1F 8339 [0,1,0,0,0,0|3,0,0]=4 977 B11R1.277 CC1=CC(C#N)=C(F)C=C1N 28707 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.277 CC1=CC(C#N)=C(N)C=C1F 27565 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.277 CC1=CC(C)=C(C=O)C=C1C 16351 [0,1,0,0,0,0|3,0,0]=4 980 B11R1.277 CC1=CC(C=O)=C(Br)C=C1F 1423 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.277 CC1=CC(C=O)=C(C)C=C1Cl 27575 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.277 CC1=CC(C=O)=C(C)C=C1O 22697 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.277 CC1=CC(C=O)=C(F)C=C1Br 1426 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.277 CC1=CC(C=O)=C(F)C=C1F 30945 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.277 CC1=CC(O)=C(C=O)C=C1Cl 30425 [0,1,0,0,0,0|3,0,0]=4 986 B11R1.277 CC1=CC(O)=C(C=O)C=C1F 28987 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.277 COC1=C(Br)C=C(F)C(F)=C1 5223 [0,1,0,0,0,0|2,0,0]=3 988 B11R1.277 COC1=C(Cl)C=C(F)C(Br)=C1 4557 [0,1,0,0,0,0|2,0,0]=3 989 B11R1.277 COC1=C(F)C=C(Br)C(C)=N1 15216 [0,1,0,0,0,0|2,0,0]=3 990 B11R1.277 COC1=C(F)C=C(Br)C(F)=C1 2653 [0,1,0,0,0,0|2,0,0]=3 991 B11R1.277 COC1=C(I)N=C(I)C(Br)=C1 27237 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.277 COC1=C(O)C=C(Br)C(Cl)=C1 34577 [0,1,0,0,0,0|1,0,0]=2 993 B11R1.277 COC1=C(O)C=C(F)C(Br)=C1 28355 [0,1,0,0,0,0|1,0,0]=2 994 B11R1.277 COC1=CC(Br)=C(Cl)C=C1N 16224 [0,1,0,0,0,0|2,0,0]=3 995 B11R1.277 COC1=CC(C)=C(N)C=C1C 31055 [0,1,0,0,0,0|1,0,0]=2 996 B11R1.277 COC1=CC(N)=C(Br)C=C1C 31046 [0,1,0,0,0,0|2,0,0]=3 997 B11R1.277 COC1=CC(N)=C(Cl)C=C1Cl 4393 [0,1,0,0,0,0|2,0,0]=3 998 B11R1.277 COC1=CC(N)=C(F)C=C1F 10078 [0,1,0,0,0,0|2,0,0]=3 999 B11R1.277 Cc1cc(C#N)c(C)cc1O 30763 [0,1,0,0,0,0|3,0,0]=4 1000 B11R1.277 N#CC1=C(O)C=C(Br)C(F)=C1 30858 [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.277 N#CC1=C(O)C=C(F)C(F)=C1 28738 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.277 O=CC1=C(O)C=C(Cl)C(F)=C1 34725 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.277 O=CC1=C(O)C=C(F)C(Br)=C1 17025 [0,1,0,0,0,0|3,0,0]=4 1004 B11R1.277 O=CC1=C(O)C=C(F)C(F)=C1 11007 [0,1,0,0,0,0|3,0,0]=4 1005 B11R1.277 O=CC1=C(O)C=C(O)C(I)=C1 22927 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.280 CCC1=C(Cl)C=CC(OC)=C1 5282 [0,1,0,0,0,0|2,0,0]=3 1007 B11R1.280 CCC1=C(F)C=CC(C#N)=C1 28744 [0,1,0,0,0,0|2,0,1]=4 1008 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 16098 [0,1,0,0,0,0|2,0,1]=4 1009 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 21039 [0,1,0,0,0,0|2,0,1]=4 1010 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 28101 [0,1,0,0,0,0|1,0,1]=3 1011 B11R1.280 CCC1=CC(OC)=C(Cl)C=C1 5280 [0,1,0,0,0,0|1,0,0]=2 1012 B11R1.280 CNC1=NC(OC)=CC=C1N 15372 [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.280 CNC1=NC(OC)=CC=C1N 9606 [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 28722 [0,1,0,0,0,0|1,0,1]=3 1015 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 30968 [0,1,0,0,0,0|1,0,1]=3 1016 B11R1.280 COC1=C(Br)C=CC(CO)=C1 31324 [0,1,0,0,0,0|1,0,0]=2 1017 B11R1.280 COC1=C(C)C=CC(C#N)=C1 28758 [0,1,0,0,0,0|1,0,1]=3 1018 B11R1.280 COC1=C(C)C=CC(C=O)=C1 2646 [0,1,0,0,0,0|1,0,1]=3 1019 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 18681 [0,1,0,0,0,0|1,0,1]=3 1020 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 30916 [0,1,0,0,0,0|1,0,1]=3 1021 B11R1.280 COC1=C(F)C=CC(C#N)=C1 3501 [0,1,0,0,0,0|1,0,1]=3 1022 B11R1.280 COC1=C(F)C=CC(C=O)=C1 1449 [0,1,0,0,0,0|1,0,1]=3 1023 B11R1.280 COC1=C(F)C=CC(CBr)=C1 27471 [0,1,0,0,0,0|1,0,0]=2 1024 B11R1.280 COC1=C(F)C=CC(CN)=C1 27537 [0,1,0,0,0,0|1,0,0]=2 1025 B11R1.280 COC1=C(F)C=CC(CO)=C1 7734 [0,1,0,0,0,0|1,0,0]=2 1026 B11R1.280 COC1=C(O)C=CC(C#N)=C1 13112 [0,1,0,0,0,0|0,0,1]=2 1027 B11R1.280 COC1=C(O)C=CC(C=O)=C1 25440 [0,1,0,0,0,0|0,0,1]=2 1028 B11R1.280 COC1=C(O)C=CC(CN)=C1 7385 [0,1,0,0,0,0|0,0,0]=1 1029 B11R1.280 COC1=CC(C#N)=C(Br)C=C1 26687 [0,1,0,0,0,0|3,0,0]=4 1030 B11R1.280 COC1=CC(C#N)=C(Cl)C=C1 28121 [0,1,0,0,0,0|3,0,0]=4 1031 B11R1.280 COC1=CC(C#N)=C(F)C=C1 3500 [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.280 COC1=CC(C#N)=C(N)C=C1 25963 [0,1,0,0,0,0|3,0,0]=4 1033 B11R1.280 COC1=CC(C#N)=C(O)C=C1 30775 [0,1,0,0,0,0|2,0,0]=3 1034 B11R1.280 COC1=CC(C=O)=C(Br)C=C1 2642 [0,1,0,0,0,0|3,0,0]=4 1035 B11R1.280 COC1=CC(C=O)=C(C)C=C1 28421 [0,1,0,0,0,0|3,0,0]=4 1036 B11R1.280 COC1=CC(C=O)=C(Cl)C=C1 27588 [0,1,0,0,0,0|3,0,0]=4 1037 B11R1.280 COC1=CC(C=O)=C(F)C=C1 2634 [0,1,0,0,0,0|3,0,0]=4 1038 B11R1.280 COC1=CC(C=O)=C(O)C=C1 2649 [0,1,0,0,0,0|2,0,0]=3 1039 B11R1.280 COC1=CC(CBr)=C(Br)C=C1 18176 [0,1,0,0,0,0|3,0,0]=4 1040 B11R1.280 COC1=CC(CBr)=C(F)C=C1 31343 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.280 COC1=CC(CO)=C(F)C=C1 3503 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.280 COC1=CC(NN)=C(F)C=C1 1086 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.280 COC1=CC(OC)=C(Br)C=C1 3036 [0,1,0,0,0,0|1,0,0]=2 1044 B11R1.280 COC1=CC(OC)=C(Cl)C=C1 3041 [0,1,0,0,0,0|1,0,0]=2 1045 B11R1.280 COC1=CC(OC)=C(F)C=C1 28466 [0,1,0,0,0,0|1,0,0]=2 1046 B11R1.280 COC1=CC(OC)=C(I)C=C1 3053 [0,1,0,0,0,0|1,0,0]=2 1047 B11R1.280 COC1=CC(OC)=C(N)C=C1 16639 [0,1,0,0,0,0|1,0,0]=2 1048 B11R1.280 COC1=CC(OC)=C(S)C=C1 6882 [0,1,0,0,0,0|0,1,0]=2 1049 B11R1.280 COC1=NC=C(Br)C(OC)=N1 5281 [0,1,0,0,0,0|3,0,0]=4 1050 B11R1.280 COC1=NC=C(I)C(OC)=N1 6914 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.280 N#CC1=C(F)C=CC(CBr)=C1 31280 [0,1,0,0,0,0|3,0,0]=4 1052 B11R1.280 N#CC1=C(F)C=CC(CN)=C1 17581 [0,1,0,0,0,0|3,0,0]=4 1053 B11R1.280 N#CC1=C(F)C=CC(CO)=C1 31332 [0,1,0,0,0,0|3,0,0]=4 1054 B11R1.280 N#CC1=CC(C#N)=C(O)C=C1 27702 [0,1,0,0,0,0|2,0,1]=4 1055 B11R1.280 N#CC1=CC(C=O)=C(O)C=C1 17451 [0,1,0,0,0,0|2,0,1]=4 1056 B11R1.280 N#Cc1cc(CBr)ccc1Br 31390 [0,1,0,0,0,0|3,0,0]=4 1057 B11R2.36 BrC1=CC2=C(C=C1)CCO2 28031 [0,0,0,1,0,0|2,0,0]=3 1058 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 34235 [0,0,0,1,0,0|2,0,1]=4 1059 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 22017 [0,0,0,1,0,0|2,0,1]=4 1060 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 17145 [0,0,0,1,0,0|2,0,1]=4 1061 B11R2.36 BrC1=CC2=C(C=C1)OCC2 7055 [0,0,0,1,0,0|2,0,0]=3 1062 B11R2.36 BrC1=CC2=C(C=C1)OCO2 3738 [0,0,0,1,0,0|1,0,0]=2 1063 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 28003 [0,0,0,1,0,0|2,0,1]=4 1064 B11R2.36 BrC1=CC=C2CCCC2=C1 34435 [0,0,0,1,0,0|3,0,0]=4 1065 B11R2.36 BrC1=CC=C2CCNC2=C1 22223 [0,0,0,1,0,0|3,0,0]=4 1066 B11R2.36 BrC1=CC=C2CCNC2=C1 8320 [0,0,0,1,0,0|3,0,0]=4 1067 B11R2.36 BrC1=CC=C2NCCC2=C1 7319 [0,0,0,1,0,0|3,0,0]=4 1068 B11R2.36 CC1=CC2=C(C=C1)N=CN2 7666 [0,0,0,1,0,0|2,0,1]=4 1069 B11R2.36 CC1=CC2=C(C=C1)OC=C2 28016 [0,0,0,1,0,0|1,0,1]=3 1070 B11R2.36 CC1=CC2=C(C=C1)OC=N2 8638 [0,0,0,1,0,0|1,0,1]=3 1071 B11R2.36 CC1=CC2=C(C=CS2)C=C1 15767 [0,0,0,1,0,0|1,1,1]=4 1072 B11R2.36 CC1=CC2=NON=C2C=C1 14814 [0,0,0,1,0,0|3,0,0]=4 1073 B11R2.36 CC1=CC=C2C=CNC2=C1 7240 [0,0,0,1,0,0|2,0,1]=4 1074 B11R2.36 CC1=CC=C2CNCC2=C1 33793 [0,0,0,1,0,0|3,0,0]=4 1075 B11R2.36 CC1=CC=C2NC=CC2=C1 7238 [0,0,0,1,0,0|2,0,1]=4 1076 B11R2.36 CC1=CC=C2NN=CC2=C1 7832 [0,0,0,1,0,0|3,0,0]=4 1077 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 28012 [0,0,0,1,0,0|2,0,1]=4 1078 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 8712 [0,0,0,1,0,0|2,0,1]=4 1079 B11R2.36 ClC1=CC2=C(C=C1)OCO2 3620 [0,0,0,1,0,0|1,0,0]=2 1080 B11R2.36 ClC1=CC2=C(C=CO2)C=C1 32456 [0,0,0,1,0,0|2,0,1]=4 1081 B11R2.36 ClC1=CC=C2NCCC2=C1 2112 [0,0,0,1,0,0|3,0,0]=4 1082 B11R2.36 FC1=CC2=C(C=C1)OC=C2 16047 [0,0,0,1,0,0|2,0,1]=4 1083 B11R2.36 FC1=CC2=C(C=C1)OC=N2 21888 [0,0,0,1,0,0|2,0,1]=4 1084 B11R2.36 FC1=CC2=C(C=C1)OCC2 24189 [0,0,0,1,0,0|2,0,0]=3 1085 B11R2.36 FC1=CC=C2CCNC2=C1 34355 [0,0,0,1,0,0|3,0,0]=4 1086 B11R2.36 IC1=CC2=C(C=C1)OCC2 27760 [0,0,0,1,0,0|2,0,0]=3 1087 B11R2.36 IC1=CC2=C(C=C1)OCO2 33795 [0,0,0,1,0,0|1,0,0]=2 1088 B11R2.36 NC1=CC2=C(C=C1)C=NO2 24258 [0,0,0,1,0,0|3,0,0]=4 1089 B11R2.36 NC1=CC2=C(C=C1)N=CO2 17704 [0,0,0,1,0,0|2,0,1]=4 1090 B11R2.36 NC1=CC2=C(C=C1)OC=N2 34838 [0,0,0,1,0,0|2,0,1]=4 1091 B11R2.36 NC1=CC2=C(C=C1)OCC2 16462 [0,0,0,1,0,0|2,0,0]=3 1092 B11R2.36 NC1=CC2=C(C=C1)OCC2 20541 [0,0,0,1,0,0|2,0,0]=3 1093 B11R2.36 NC1=CC2=C(C=C1)OCO2 22150 [0,0,0,1,0,0|1,0,0]=2 1094 B11R2.36 OC1=CC2=C(C=C1)CCO2 32303 [0,0,0,1,0,0|2,0,0]=3 1095 B11R2.36 OC1=CC2=C(C=C1)OC=C2 34267 [0,0,0,1,0,0|2,0,1]=4 1096 B11R2.36 OC1=CC2=C(C=C1)OCO2 15359 [0,0,0,1,0,0|1,0,0]=2 1097 B11R2.36 OC1=CC2=C(C=CO2)C=C1 28025 [0,0,0,1,0,0|2,0,1]=4 1098 B11R2.36 SC1=CC2=C(C=C1)OCO2 15612 [0,0,0,1,0,0|1,0,0]=2 1099 B9R1.27 CCC1=C(C)NC=C1C 29942 [0,0,0,0,1,0|3,0,0]=4 1100 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|2,0,0]=4 1101 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|1,0,1]=4 1102 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 1103 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 1104 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|0,0,0]=2 1105 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|0,0,0]=2 1106 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|1,0,0]=3 1107 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|1,0,0]=3 1108 B8R1.2 COC1=CN=CN=C1 25073 [2,0,0,0,0,0|2,0,0]=4 1109 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|1,0,0]=3 1110 B8R1.2 COC1=NC=CN=C1 8605 [2,0,0,0,0,0|2,0,0]=4 1111 B8R1.2 COC1=NC=NC=C1 21029 [2,0,0,0,0,0|2,0,0]=4 1112 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|0,1,0]=3 1113 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|1,1,0]=4 1114 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|2,0,0]=4 1115 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|2,0,0]=4 1116 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 1117 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|2,0,0]=4 1118 B8R1.4 BrC1=CC(I)=CC=C1 3785 [2,0,0,0,0,0|2,0,0]=4 1119 B8R1.4 BrC1=CC=CC(Br)=C1 3855 [2,0,0,0,0,0|2,0,0]=4 1120 B8R1.4 CC1=CC(Br)=CC=C1 3836 [2,0,0,0,0,0|1,0,0]=3 1121 B8R1.4 CC1=CC(Br)=NC=C1 1184 [2,0,0,0,0,0|2,0,0]=4 1122 B8R1.4 CC1=CC(C)=NC=C1 20508 [2,0,0,0,0,0|1,0,0]=3 1123 B8R1.4 CC1=CC(C)=NC=N1 21498 [2,0,0,0,0,0|2,0,0]=4 1124 B8R1.4 CC1=CC(Cl)=CC=C1 3678 [2,0,0,0,0,0|1,0,0]=3 1125 B8R1.4 CC1=CC(Cl)=NC=C1 1192 [2,0,0,0,0,0|2,0,0]=4 1126 B8R1.4 CC1=CC(F)=NC=C1 1203 [2,0,0,0,0,0|2,0,0]=4 1127 B8R1.4 CC1=CC(I)=CC=C1 12585 [2,0,0,0,0,0|1,0,0]=3 1128 B8R1.4 CC1=CC(I)=NC=C1 13513 [2,0,0,0,0,0|2,0,0]=4 1129 B8R1.4 CC1=CC(N)=NC=C1 2238 [2,0,0,0,0,0|2,0,0]=4 1130 B8R1.4 CC1=CC(O)=NC=C1 1206 [2,0,0,0,0,0|1,0,0]=3 1131 B8R1.4 CC1=CC(O)=NC=N1 11013 [2,0,0,0,0,0|2,0,0]=4 1132 B8R1.4 CC1=CC=CC(Br)=N1 1139 [2,0,0,0,0,0|2,0,0]=4 1133 B8R1.4 CC1=CC=CC(C)=N1 14295 [2,0,0,0,0,0|1,0,0]=3 1134 B8R1.4 CC1=CC=CC(C)=N1 15897 [2,0,0,0,0,0|1,0,0]=3 1135 B8R1.4 CC1=CC=CC(Cl)=N1 1194 [2,0,0,0,0,0|2,0,0]=4 1136 B8R1.4 CC1=CC=CC(F)=C1 24460 [2,0,0,0,0,0|1,0,0]=3 1137 B8R1.4 CC1=CC=CC(F)=N1 6443 [2,0,0,0,0,0|2,0,0]=4 1138 B8R1.4 CC1=CC=CC(I)=N1 34165 [2,0,0,0,0,0|2,0,0]=4 1139 B8R1.4 CC1=CC=CC(N)=N1 5922 [2,0,0,0,0,0|2,0,0]=4 1140 B8R1.4 CC1=CC=CC(O)=N1 1114 [2,0,0,0,0,0|1,0,0]=3 1141 B8R1.4 CC1=CC=CC(S)=C1 6808 [2,0,0,0,0,0|0,1,0]=3 1142 B8R1.4 CC1=CC=C[N+]([O-])=C1 25351 [2,0,0,0,0,0|1,0,1]=4 1143 B8R1.4 CC1=CN=CC(Br)=C1 4036 [2,0,0,0,0,0|2,0,0]=4 1144 B8R1.4 CC1=CN=CC(C)=N1 8609 [2,0,0,0,0,0|2,0,0]=4 1145 B8R1.4 CC1=CN=CC(F)=C1 10630 [2,0,0,0,0,0|2,0,0]=4 1146 B8R1.4 CC1=CN=CC(N)=C1 1279 [2,0,0,0,0,0|2,0,0]=4 1147 B8R1.4 CC1=CN=CC(N)=C1 9634 [2,0,0,0,0,0|2,0,0]=4 1148 B8R1.4 CC1=CN=CC(O)=C1 6629 [2,0,0,0,0,0|1,0,0]=3 1149 B8R1.4 CC1=NC(O)=NC=C1 22005 [2,0,0,0,0,0|2,0,0]=4 1150 B8R1.4 CC1=NC=CC(Br)=C1 4035 [2,0,0,0,0,0|2,0,0]=4 1151 B8R1.4 CC1=NC=CC(Cl)=C1 2071 [2,0,0,0,0,0|2,0,0]=4 1152 B8R1.4 CC1=NC=CC(F)=C1 21038 [2,0,0,0,0,0|2,0,0]=4 1153 B8R1.4 CC1=NC=CC(N)=C1 1118 [2,0,0,0,0,0|2,0,0]=4 1154 B8R1.4 CC1=NC=CC(O)=C1 17657 [2,0,0,0,0,0|1,0,0]=3 1155 B8R1.4 ClC1=CC(I)=CC=C1 3647 [2,0,0,0,0,0|2,0,0]=4 1156 B8R1.4 ClC1=CC=CC(Br)=C1 3583 [2,0,0,0,0,0|2,0,0]=4 1157 B8R1.4 ClC1=CC=CC(Cl)=C1 13088 [2,0,0,0,0,0|2,0,0]=4 1158 B8R1.4 FC1=CC(I)=CC=C1 3497 [2,0,0,0,0,0|2,0,0]=4 1159 B8R1.4 FC1=CC=CC(Br)=C1 2300 [2,0,0,0,0,0|2,0,0]=4 1160 B8R1.4 FC1=CC=CC(Cl)=C1 3419 [2,0,0,0,0,0|2,0,0]=4 1161 B8R1.4 FC1=CC=CC(F)=C1 2308 [2,0,0,0,0,0|2,0,0]=4 1162 B8R1.4 FC1=CC=CC(S)=C1 5429 [2,0,0,0,0,0|1,1,0]=4 1163 B8R1.4 IC1=CC=CC(I)=C1 3833 [2,0,0,0,0,0|2,0,0]=4 1164 B8R1.4 NC1=CC(Br)=CC=C1 3723 [2,0,0,0,0,0|2,0,0]=4 1165 B8R1.4 NC1=CC(Cl)=CC=C1 20239 [2,0,0,0,0,0|2,0,0]=4 1166 B8R1.4 NC1=CC(F)=CC=C1 10751 [2,0,0,0,0,0|2,0,0]=4 1167 B8R1.4 NC1=CC(F)=CC=C1 13943 [2,0,0,0,0,0|2,0,0]=4 1168 B8R1.4 NC1=CC(I)=CC=C1 10577 [2,0,0,0,0,0|2,0,0]=4 1169 B8R1.4 NC1=CC(O)=NC=C1 6648 [2,0,0,0,0,0|2,0,0]=4 1170 B8R1.4 NC1=CC=CC(O)=C1 18119 [2,0,0,0,0,0|1,0,0]=3 1171 B8R1.4 NC1=CC=CC(O)=N1 25861 [2,0,0,0,0,0|2,0,0]=4 1172 B8R1.4 NC1=CC=CC(S)=C1 2470 [2,0,0,0,0,0|1,1,0]=4 1173 B8R1.4 NC1=CN=CC(O)=C1 6627 [2,0,0,0,0,0|2,0,0]=4 1174 B8R1.4 NC1=NC=CC(O)=C1 6677 [2,0,0,0,0,0|2,0,0]=4 1175 B8R1.4 OC1=CC(Br)=CC=C1 3824 [2,0,0,0,0,0|1,0,0]=3 1176 B8R1.4 OC1=CC(Br)=CN=C1 9214 [2,0,0,0,0,0|2,0,0]=4 1177 B8R1.4 OC1=CC(Br)=NC=C1 23393 [2,0,0,0,0,0|2,0,0]=4 1178 B8R1.4 OC1=CC(Cl)=CC=C1 3677 [2,0,0,0,0,0|1,0,0]=3 1179 B8R1.4 OC1=CC(Cl)=CN=C1 6628 [2,0,0,0,0,0|2,0,0]=4 1180 B8R1.4 OC1=CC(Cl)=NC=C1 2578 [2,0,0,0,0,0|2,0,0]=4 1181 B8R1.4 OC1=CC(F)=CC=C1 3884 [2,0,0,0,0,0|1,0,0]=3 1182 B8R1.4 OC1=CC(I)=CC=C1 3968 [2,0,0,0,0,0|1,0,0]=3 1183 B8R1.4 OC1=CC(I)=CN=C1 27396 [2,0,0,0,0,0|2,0,0]=4 1184 B8R1.4 OC1=CC(O)=NC=C1 5487 [2,0,0,0,0,0|2,0,0]=4 1185 B8R1.4 OC1=CC=CC(Br)=N1 15211 [2,0,0,0,0,0|2,0,0]=4 1186 B8R1.4 OC1=CC=CC(Cl)=N1 12988 [2,0,0,0,0,0|2,0,0]=4 1187 B8R1.4 OC1=CC=CC(O)=C1 22214 [2,0,0,0,0,0|1,0,0]=3 1188 B8R1.4 OC1=CC=CC(O)=N1 17666 [2,0,0,0,0,0|2,0,0]=4 1189 B8R1.4 OC1=CC=CC(S)=C1 6829 [2,0,0,0,0,0|1,0,0]=3 1190 B8R1.4 OC1=CN=CC(F)=C1 6625 [2,0,0,0,0,0|2,0,0]=4 1191 B8R1.4 OC1=CN=CC(O)=C1 27828 [2,0,0,0,0,0|2,0,0]=4 1192 B8R1.4 OC1=NC=CC(Br)=C1 6560 [2,0,0,0,0,0|2,0,0]=4 1193 B8R1.4 OC1=NC=CC(Cl)=C1 9621 [2,0,0,0,0,0|2,0,0]=4 1194 B8R1.4 OC1=NC=CC(I)=C1 27672 [2,0,0,0,0,0|2,0,0]=4 1195 B8R1.4 SC1=CC(Br)=CC=C1 6805 [2,0,0,0,0,0|1,1,0]=4 1196 B8R1.4 SC1=CC(Cl)=CC=C1 6785 [2,0,0,0,0,0|1,1,0]=4 1197 B8R1.5 BrC1=C(Br)C=CC=C1 3852 [2,0,0,0,0,0|2,0,0]=4 1198 B8R1.5 BrC1=C(I)C=CC=C1 19983 [2,0,0,0,0,0|2,0,0]=4 1199 B8R1.5 BrC1=C(I)C=CC=C1 2278 [2,0,0,0,0,0|2,0,0]=4 1200 B8R1.5 CC1=C(Br)C=CC=C1 3834 [2,0,0,0,0,0|1,0,0]=3 1201 B8R1.5 CC1=C(Br)C=CN=C1 10604 [2,0,0,0,0,0|2,0,0]=4 1202 B8R1.5 CC1=C(Br)C=CN=C1 6889 [2,0,0,0,0,0|2,0,0]=4 1203 B8R1.5 CC1=C(Br)C=NC=C1 3994 [2,0,0,0,0,0|2,0,0]=4 1204 B8R1.5 CC1=C(Cl)C=CC=C1 19748 [2,0,0,0,0,0|1,0,0]=3 1205 B8R1.5 CC1=C(Cl)C=CN=C1 17464 [2,0,0,0,0,0|2,0,0]=4 1206 B8R1.5 CC1=C(Cl)C=CN=C1 9218 [2,0,0,0,0,0|2,0,0]=4 1207 B8R1.5 CC1=C(Cl)C=NC=C1 14323 [2,0,0,0,0,0|2,0,0]=4 1208 B8R1.5 CC1=C(F)C=CN=C1 15249 [2,0,0,0,0,0|2,0,0]=4 1209 B8R1.5 CC1=C(F)C=NC=C1 9251 [2,0,0,0,0,0|2,0,0]=4 1210 B8R1.5 CC1=C(I)C=CC=C1 9516 [2,0,0,0,0,0|1,0,0]=3 1211 B8R1.5 CC1=C(N)C=CN=C1 1119 [2,0,0,0,0,0|2,0,0]=4 1212 B8R1.5 CC1=C(N)C=NC=C1 1278 [2,0,0,0,0,0|2,0,0]=4 1213 B8R1.5 CC1=C(O)C=NC=C1 15184 [2,0,0,0,0,0|1,0,0]=3 1214 B8R1.5 CC1=C(O)N=NC=C1 19780 [2,0,0,0,0,0|2,0,0]=4 1215 B8R1.5 CC1=C(S)C=CC=C1 6806 [2,0,0,0,0,0|0,1,0]=3 1216 B8R1.5 CC1=CC=CC=C1N 20202 [2,0,0,0,0,0|1,0,0]=3 1217 B8R1.5 CC1=CC=CC=C1O 15714 [2,0,0,0,0,0|0,0,0]=2 1218 B8R1.5 CC1=CC=CN=C1Br 9208 [2,0,0,0,0,0|2,0,0]=4 1219 B8R1.5 CC1=CC=CN=C1C 20520 [2,0,0,0,0,0|2,0,0]=4 1220 B8R1.5 CC1=CC=CN=C1Cl 2074 [2,0,0,0,0,0|2,0,0]=4 1221 B8R1.5 CC1=CC=CN=C1F 3992 [2,0,0,0,0,0|2,0,0]=4 1222 B8R1.5 CC1=CC=CN=C1I 14399 [2,0,0,0,0,0|2,0,0]=4 1223 B8R1.5 CC1=CC=CN=C1N 1217 [2,0,0,0,0,0|2,0,0]=4 1224 B8R1.5 CC1=CC=CN=C1O 14401 [2,0,0,0,0,0|1,0,0]=3 1225 B8R1.5 CC1=CC=CN=C1O 8871 [2,0,0,0,0,0|1,0,0]=3 1226 B8R1.5 CC1=NC=CC=C1Br 1220 [2,0,0,0,0,0|2,0,0]=4 1227 B8R1.5 CC1=NC=CC=C1Cl 14380 [2,0,0,0,0,0|2,0,0]=4 1228 B8R1.5 CC1=NC=CC=C1F 14381 [2,0,0,0,0,0|2,0,0]=4 1229 B8R1.5 CC1=NC=CC=C1I 14400 [2,0,0,0,0,0|2,0,0]=4 1230 B8R1.5 CC1=NC=CC=C1N 2076 [2,0,0,0,0,0|2,0,0]=4 1231 B8R1.5 CC1=NC=CC=C1O 6626 [2,0,0,0,0,0|1,0,0]=3 1232 B8R1.5 CC1=NC=CN=C1O 34244 [2,0,0,0,0,0|2,0,0]=4 1233 B8R1.5 CC1=[N+]([O-])C=CC=C1 14342 [2,0,0,0,0,0|1,0,1]=4 1234 B8R1.5 CN1C=CC=CC1=O 25381 [2,0,0,0,0,0|1,0,1]=4 1235 B8R1.5 C[N+]1=C(Cl)C=CC=C1 16659 [2,0,0,0,0,0|2,0,0]=4 1236 B8R1.5 ClC1=C(Br)C=CC=C1 3582 [2,0,0,0,0,0|2,0,0]=4 1237 B8R1.5 ClC1=C(Cl)C=CC=C1 16667 [2,0,0,0,0,0|2,0,0]=4 1238 B8R1.5 ClC1=C(I)C=CC=C1 3646 [2,0,0,0,0,0|2,0,0]=4 1239 B8R1.5 FC1=C(Br)C=CC=C1 3215 [2,0,0,0,0,0|2,0,0]=4 1240 B8R1.5 FC1=C(Cl)C=CC=C1 3418 [2,0,0,0,0,0|2,0,0]=4 1241 B8R1.5 FC1=C(F)C=CC=C1 2307 [2,0,0,0,0,0|2,0,0]=4 1242 B8R1.5 FC1=C(I)C=CC=C1 3496 [2,0,0,0,0,0|2,0,0]=4 1243 B8R1.5 FC1=C(S)C=CC=C1 5428 [2,0,0,0,0,0|1,1,0]=4 1244 B8R1.5 IC1=C(I)C=CC=C1 3831 [2,0,0,0,0,0|2,0,0]=4 1245 B8R1.5 NC1=C(Br)C=CC=C1 3722 [2,0,0,0,0,0|2,0,0]=4 1246 B8R1.5 NC1=C(Cl)C=CC=C1 19107 [2,0,0,0,0,0|2,0,0]=4 1247 B8R1.5 NC1=C(F)C=CC=C1 15382 [2,0,0,0,0,0|2,0,0]=4 1248 B8R1.5 NC1=C(F)C=CC=C1 5245 [2,0,0,0,0,0|2,0,0]=4 1249 B8R1.5 NC1=C(I)C=CC=C1 10573 [2,0,0,0,0,0|2,0,0]=4 1250 B8R1.5 NC1=C(N)C=CC=C1 32376 [2,0,0,0,0,0|2,0,0]=4 1251 B8R1.5 NC1=C(O)C=CN=C1 6679 [2,0,0,0,0,0|2,0,0]=4 1252 B8R1.5 NC1=C(O)C=NC=C1 6654 [2,0,0,0,0,0|2,0,0]=4 1253 B8R1.5 NC1=C(S)C=CC=C1 5424 [2,0,0,0,0,0|1,1,0]=4 1254 B8R1.5 NC1=CC=CN=C1O 1263 [2,0,0,0,0,0|2,0,0]=4 1255 B8R1.5 NC1=NC=CC=C1O 2574 [2,0,0,0,0,0|2,0,0]=4 1256 B8R1.5 Nc1ccccc1N 23346 [2,0,0,0,0,0|2,0,0]=4 1257 B8R1.5 O=C1C=COC=C1O 25209 [2,0,0,0,0,0|1,0,1]=4 1258 B8R1.5 OC1=C(Br)C=CC=C1 3841 [2,0,0,0,0,0|1,0,0]=3 1259 B8R1.5 OC1=C(Br)C=CN=C1 6661 [2,0,0,0,0,0|2,0,0]=4 1260 B8R1.5 OC1=C(Br)C=NC=C1 6678 [2,0,0,0,0,0|2,0,0]=4 1261 B8R1.5 OC1=C(Cl)C=CC=C1 12600 [2,0,0,0,0,0|1,0,0]=3 1262 B8R1.5 OC1=C(Cl)C=CN=C1 6669 [2,0,0,0,0,0|2,0,0]=4 1263 B8R1.5 OC1=C(Cl)C=NC=C1 6680 [2,0,0,0,0,0|2,0,0]=4 1264 B8R1.5 OC1=C(F)C=CC=C1 2313 [2,0,0,0,0,0|1,0,0]=3 1265 B8R1.5 OC1=C(I)C=CC=C1 3963 [2,0,0,0,0,0|1,0,0]=3 1266 B8R1.5 OC1=C(S)C=CC=C1 6827 [2,0,0,0,0,0|0,1,0]=3 1267 B8R1.5 OC1=CC=CN=C1Br 2572 [2,0,0,0,0,0|2,0,0]=4 1268 B8R1.5 OC1=CC=CN=C1Cl 2577 [2,0,0,0,0,0|2,0,0]=4 1269 B8R1.5 OC1=CC=CN=C1F 6290 [2,0,0,0,0,0|2,0,0]=4 1270 B8R1.5 OC1=CC=CN=C1I 6571 [2,0,0,0,0,0|2,0,0]=4 1271 B8R1.5 OC1=CC=CN=C1O 2580 [2,0,0,0,0,0|1,0,0]=3 1272 B8R1.5 OC1=NC=CC=C1Br 1177 [2,0,0,0,0,0|2,0,0]=4 1273 B8R1.5 OC1=NC=CC=C1Cl 6538 [2,0,0,0,0,0|2,0,0]=4 1274 B8R1.5 OC1=NC=CC=C1F 1200 [2,0,0,0,0,0|2,0,0]=4 1275 B8R1.5 OC1=NC=CC=C1I 6701 [2,0,0,0,0,0|2,0,0]=4 1276 B8R1.5 SC1=C(Br)C=CC=C1 4009 [2,0,0,0,0,0|1,1,0]=4 1277 B8R1.5 SC1=C(Cl)C=CC=C1 6776 [2,0,0,0,0,0|1,1,0]=4 1278 B8R1.5 [O-][N+]1=CC=CC=C1O 26927 [2,0,0,0,0,0|1,0,1]=4 1279 B8R1.3 BrC1=CC=C(Br)C=C1 10875 [2,0,0,0,0,0|2,0,0]=4 1280 B8R1.3 BrC1=CC=C(I)C=C1 27467 [2,0,0,0,0,0|2,0,0]=4 1281 B8R1.3 BrC1=CC=C(I)C=C1 3786 [2,0,0,0,0,0|2,0,0]=4 1282 B8R1.3 CC1=CC=C(Br)C=C1 21011 [2,0,0,0,0,0|1,0,0]=3 1283 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [2,0,0,0,0,0|1,0,0]=3 1284 B8R1.3 CC1=CC=C(F)C=C1 12887 [2,0,0,0,0,0|1,0,0]=3 1285 B8R1.3 CC1=CC=C(I)C=C1 4548 [2,0,0,0,0,0|1,0,0]=3 1286 B8R1.3 CC1=CC=C(O)C=C1 23326 [2,0,0,0,0,0|0,0,0]=2 1287 B8R1.3 CC1=CC=C(S)C=C1 6809 [2,0,0,0,0,0|0,1,0]=3 1288 B8R1.3 CC1=CN=C(Br)C=C1 1185 [2,0,0,0,0,0|2,0,0]=4 1289 B8R1.3 CC1=CN=C(C)C=C1 20994 [2,0,0,0,0,0|2,0,0]=4 1290 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [2,0,0,0,0,0|2,0,0]=4 1291 B8R1.3 CC1=CN=C(F)C=C1 4059 [2,0,0,0,0,0|2,0,0]=4 1292 B8R1.3 CC1=CN=C(N)C=C1 1159 [2,0,0,0,0,0|2,0,0]=4 1293 B8R1.3 CC1=CN=C(O)C=C1 14321 [2,0,0,0,0,0|1,0,0]=3 1294 B8R1.3 CC1=CN=C(O)C=C1 27251 [2,0,0,0,0,0|1,0,0]=3 1295 B8R1.3 CC1=NC=C(Br)C=C1 4058 [2,0,0,0,0,0|2,0,0]=4 1296 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [2,0,0,0,0,0|2,0,0]=4 1297 B8R1.3 CC1=NC=C(F)C=C1 2224 [2,0,0,0,0,0|2,0,0]=4 1298 B8R1.3 CC1=NC=C(I)C=C1 6698 [2,0,0,0,0,0|2,0,0]=4 1299 B8R1.3 CC1=NC=C(N)C=C1 1280 [2,0,0,0,0,0|2,0,0]=4 1300 B8R1.3 CC1=NC=C(O)C=C1 6696 [2,0,0,0,0,0|1,0,0]=3 1301 B8R1.3 CC1=NC=C(O)C=N1 21855 [2,0,0,0,0,0|2,0,0]=4 1302 B8R1.3 ClC1=CC=C(Br)C=C1 10226 [2,0,0,0,0,0|2,0,0]=4 1303 B8R1.3 ClC1=CC=C(I)C=C1 3648 [2,0,0,0,0,0|2,0,0]=4 1304 B8R1.3 FC1=CC=C(Br)C=C1 2251 [2,0,0,0,0,0|2,0,0]=4 1305 B8R1.3 FC1=CC=C(Cl)C=C1 3420 [2,0,0,0,0,0|2,0,0]=4 1306 B8R1.3 FC1=CC=C(F)C=C1 2309 [2,0,0,0,0,0|2,0,0]=4 1307 B8R1.3 FC1=CC=C(I)C=C1 2103 [2,0,0,0,0,0|2,0,0]=4 1308 B8R1.3 FC1=CC=C(S)C=C1 5431 [2,0,0,0,0,0|1,1,0]=4 1309 B8R1.3 IC1=CC=C(I)C=C1 3837 [2,0,0,0,0,0|2,0,0]=4 1310 B8R1.3 NC1=CC=C(Br)C=C1 3724 [2,0,0,0,0,0|2,0,0]=4 1311 B8R1.3 NC1=CC=C(Cl)C=C1 16666 [2,0,0,0,0,0|2,0,0]=4 1312 B8R1.3 NC1=CC=C(F)C=C1 10782 [2,0,0,0,0,0|2,0,0]=4 1313 B8R1.3 NC1=CC=C(F)C=C1 5246 [2,0,0,0,0,0|2,0,0]=4 1314 B8R1.3 NC1=CC=C(I)C=C1 10572 [2,0,0,0,0,0|2,0,0]=4 1315 B8R1.3 NC1=CC=C(N)C=C1 22180 [2,0,0,0,0,0|2,0,0]=4 1316 B8R1.3 NC1=CC=C(O)C=C1 22199 [2,0,0,0,0,0|1,0,0]=3 1317 B8R1.3 NC1=CC=C(S)C=C1 2471 [2,0,0,0,0,0|1,1,0]=4 1318 B8R1.3 NC1=CN=C(O)C=C1 14125 [2,0,0,0,0,0|2,0,0]=4 1319 B8R1.3 NC1=CN=C(O)C=C1 6563 [2,0,0,0,0,0|2,0,0]=4 1320 B8R1.3 NC1=NC=C(O)C=C1 5754 [2,0,0,0,0,0|2,0,0]=4 1321 B8R1.3 O=C1C=CC(=O)C=C1 14592 [2,0,0,0,0,0|1,0,1]=4 1322 B8R1.3 OC1=CC=C(Br)C=C1 19708 [2,0,0,0,0,0|1,0,0]=3 1323 B8R1.3 OC1=CC=C(Br)N=C1 24844 [2,0,0,0,0,0|2,0,0]=4 1324 B8R1.3 OC1=CC=C(Cl)C=C1 22009 [2,0,0,0,0,0|1,0,0]=3 1325 B8R1.3 OC1=CC=C(F)C=C1 2314 [2,0,0,0,0,0|1,0,0]=3 1326 B8R1.3 OC1=CC=C(I)C=C1 3199 [2,0,0,0,0,0|1,0,0]=3 1327 B8R1.3 OC1=CC=C(O)C=C1 9139 [2,0,0,0,0,0|1,0,0]=3 1328 B8R1.3 OC1=CC=C(S)C=C1 2464 [2,0,0,0,0,0|1,0,0]=3 1329 B8R1.3 OC1=CN=C(Br)C=C1 5967 [2,0,0,0,0,0|2,0,0]=4 1330 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [2,0,0,0,0,0|2,0,0]=4 1331 B8R1.3 OC1=CN=C(F)C=C1 6321 [2,0,0,0,0,0|2,0,0]=4 1332 B8R1.3 OC1=CN=C(O)C=C1 5522 [2,0,0,0,0,0|2,0,0]=4 1333 B8R1.3 OC1=NC=C(Br)C=C1 1178 [2,0,0,0,0,0|2,0,0]=4 1334 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [2,0,0,0,0,0|2,0,0]=4 1335 B8R1.3 OC1=NC=C(F)C=C1 6566 [2,0,0,0,0,0|2,0,0]=4 1336 B8R1.3 OC1=NC=C(I)C=C1 6567 [2,0,0,0,0,0|2,0,0]=4 1337 B8R1.3 SC1=CC=C(Br)C=C1 4043 [2,0,0,0,0,0|1,1,0]=4 1338 B8R1.3 SC1=CC=C(Cl)C=C1 6790 [2,0,0,0,0,0|1,1,0]=4 1339 B8R1.3 SC1=CC=C(S)C=C1 6866 [2,0,0,0,0,0|1,1,0]=4 1340 B10R1.2 CC1=CC=CC(C#N)=C1Br 26070 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.2 CC1=CC=CC(C#N)=C1C 8125 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.2 CC1=CC=CC(C#N)=C1Cl 4731 [1,1,0,0,0,0|2,0,0]=4 1343 B10R1.2 CC1=CC=CC(C#N)=C1F 4788 [1,1,0,0,0,0|2,0,0]=4 1344 B10R1.2 CC1=CC=CC(C#N)=C1N 27566 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.2 CC1=CC=CC(C=O)=C1Br 30978 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.2 CC1=CC=CC(C=O)=C1C 3080 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.2 CC1=CC=CC(C=O)=C1Cl 28398 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.2 CC1=CC=CC(C=O)=C1F 1450 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.2 CC1=CC=CC(C=O)=C1O 14264 [1,1,0,0,0,0|2,0,0]=4 1350 B10R1.2 CC1=CC=CC(CBr)=C1Br 31378 [1,1,0,0,0,0|2,0,0]=4 1351 B10R1.2 CC1=CC=CC(CBr)=C1C 27463 [1,1,0,0,0,0|2,0,0]=4 1352 B10R1.2 CC1=CC=CC(CN)=C1Cl 31260 [1,1,0,0,0,0|2,0,0]=4 1353 B10R1.2 CC1=CC=CC(CN)=C1F 31262 [1,1,0,0,0,0|2,0,0]=4 1354 B10R1.2 CC1=CC=CC(CO)=C1Br 31377 [1,1,0,0,0,0|2,0,0]=4 1355 B10R1.2 CC1=CC=CC(NN)=C1C 6398 [1,1,0,0,0,0|2,0,0]=4 1356 B10R1.2 CCC1=C(O)C(O)=CC=C1 33193 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.2 CCC1=CC=CC(Br)=C1O 33831 [1,1,0,0,0,0|2,0,0]=4 1358 B10R1.2 CCC1=CC=CC(Cl)=C1N 34625 [1,1,0,0,0,0|2,0,0]=4 1359 B10R1.2 CCC1=CC=CC(Cl)=C1O 27841 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.2 CCC1=CC=CC(O)=C1F 27791 [1,1,0,0,0,0|2,0,0]=4 1361 B10R1.2 COC1=C(Br)C(Br)=CC=C1 31145 [1,1,0,0,0,0|1,0,0]=3 1362 B10R1.2 COC1=C(Br)C(C)=CC=C1 31146 [1,1,0,0,0,0|0,0,0]=2 1363 B10R1.2 COC1=C(Br)C(F)=CC=C1 4125 [1,1,0,0,0,0|1,0,0]=3 1364 B10R1.2 COC1=C(C)C(Br)=CC=C1 31165 [1,1,0,0,0,0|1,0,0]=3 1365 B10R1.2 COC1=C(C)C(C)=CC=C1 4114 [1,1,0,0,0,0|0,0,0]=2 1366 B10R1.2 COC1=C(C)C(Cl)=CC=C1 2664 [1,1,0,0,0,0|1,0,0]=3 1367 B10R1.2 COC1=C(Cl)C(Br)=CC=C1 31152 [1,1,0,0,0,0|1,0,0]=3 1368 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 3680 [1,1,0,0,0,0|1,0,0]=3 1369 B10R1.2 COC1=C(Cl)C(F)=CC=C1 31158 [1,1,0,0,0,0|1,0,0]=3 1370 B10R1.2 COC1=C(F)C(Br)=CC=C1 4127 [1,1,0,0,0,0|1,0,0]=3 1371 B10R1.2 COC1=C(F)C(Cl)=CC=C1 31153 [1,1,0,0,0,0|1,0,0]=3 1372 B10R1.2 COC1=C(F)C(Cl)=CC=C1 8445 [1,1,0,0,0,0|1,0,0]=3 1373 B10R1.2 COC1=C(I)C(F)=CC=C1 4119 [1,1,0,0,0,0|1,0,0]=3 1374 B10R1.2 COC1=C(I)C(N)=CC=C1 28346 [1,1,0,0,0,0|1,0,0]=3 1375 B10R1.2 COC1=C(I)C(N)=NC=C1 26695 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.2 COC1=CC=CC(Br)=C1N 31031 [1,1,0,0,0,0|1,0,0]=3 1377 B10R1.2 COC1=CC=CC(Br)=C1O 33838 [1,1,0,0,0,0|1,0,0]=3 1378 B10R1.2 COC1=CC=CC(Cl)=C1N 31032 [1,1,0,0,0,0|1,0,0]=3 1379 B10R1.2 COC1=CC=CC(Cl)=C1O 28111 [1,1,0,0,0,0|1,0,0]=3 1380 B10R1.2 COC1=CC=CC(F)=C1F 1969 [1,1,0,0,0,0|1,0,0]=3 1381 B10R1.2 COC1=CC=CC(F)=C1N 8485 [1,1,0,0,0,0|1,0,0]=3 1382 B10R1.2 COC1=CC=CC(F)=C1O 3878 [1,1,0,0,0,0|1,0,0]=3 1383 B10R1.2 COC1=CC=CC(I)=C1Br 27634 [1,1,0,0,0,0|1,0,0]=3 1384 B10R1.2 COC1=CC=CC(I)=C1C 33420 [1,1,0,0,0,0|1,0,0]=3 1385 B10R1.2 COC1=CC=CC(N)=C1Br 15644 [1,1,0,0,0,0|1,0,0]=3 1386 B10R1.2 COC1=CC=CC(N)=C1C 15040 [1,1,0,0,0,0|1,0,0]=3 1387 B10R1.2 COC1=CC=CC(N)=C1C 19248 [1,1,0,0,0,0|1,0,0]=3 1388 B10R1.2 COC1=CC=CC(N)=C1Cl 19249 [1,1,0,0,0,0|1,0,0]=3 1389 B10R1.2 COC1=CC=CC(N)=C1Cl 19250 [1,1,0,0,0,0|1,0,0]=3 1390 B10R1.2 COC1=CC=CC(N)=C1F 15807 [1,1,0,0,0,0|1,0,0]=3 1391 B10R1.2 COC1=CC=CC(N)=C1O 33268 [1,1,0,0,0,0|1,0,0]=3 1392 B10R1.2 COC1=CC=CC(O)=C1Br 34186 [1,1,0,0,0,0|1,0,0]=3 1393 B10R1.2 COC1=CC=CC(O)=C1Cl 33442 [1,1,0,0,0,0|1,0,0]=3 1394 B10R1.2 COC1=CC=CC(O)=C1F 27943 [1,1,0,0,0,0|1,0,0]=3 1395 B10R1.2 COC1=NC=CC(C)=C1Br 6583 [1,1,0,0,0,0|1,0,0]=3 1396 B10R1.2 COC1=NC=CC(C)=C1N 6582 [1,1,0,0,0,0|1,0,0]=3 1397 B10R1.2 COc1ccc[n+]([O-])c1Br 5949 [1,1,0,0,0,0|2,0,0]=4 1398 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 10673 [1,1,0,0,0,0|1,1,0]=4 1399 B10R1.8 CC1=CC(C#N)=CC(Br)=C1 28723 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.8 CC1=CC(C#N)=CC(Cl)=C1 30784 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.8 CC1=CC(C#N)=CC(F)=C1 8336 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.8 CC1=CC(C#N)=CC(I)=C1 28754 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.8 CC1=CC(C#N)=CC(O)=C1 27390 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.8 CC1=CC(C)=CC(C#N)=C1 12528 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.8 CC1=CC(C)=CC(C=O)=C1 15515 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.8 CC1=CC(C)=CC(CBr)=C1 9979 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.8 CC1=CC(C)=CC(NN)=C1 6407 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.8 CC1=CC(C=O)=CC(Br)=C1 16400 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.8 CC1=CC(C=O)=CC(Cl)=C1 17203 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.8 CC1=CC(C=O)=CC(F)=C1 1455 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.8 CC1=CC(C=O)=CC(O)=C1 28118 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.8 CC1=CC(CBr)=CC(Br)=C1 31367 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.8 CC1=CC(CO)=CC(N)=C1 28795 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.8 CCC1=CC(F)=CC(F)=C1 26498 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.8 CNC1=CC(C)=NC(C)=C1 26354 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.8 COC1=CC(Br)=CC(Br)=C1 2009 [1,1,0,0,0,0|1,0,0]=3 1417 B10R1.8 COC1=CC(Br)=CC(Cl)=C1 22130 [1,1,0,0,0,0|1,0,0]=3 1418 B10R1.8 COC1=CC(Br)=CC(F)=C1 31138 [1,1,0,0,0,0|1,0,0]=3 1419 B10R1.8 COC1=CC(Br)=CC(F)=C1 4128 [1,1,0,0,0,0|1,0,0]=3 1420 B10R1.8 COC1=CC(C)=CC(Br)=C1 16436 [1,1,0,0,0,0|0,0,0]=2 1421 B10R1.8 COC1=CC(C)=CC(C)=C1 28380 [1,1,0,0,0,0|0,0,0]=2 1422 B10R1.8 COC1=CC(C)=CC(Cl)=C1 34222 [1,1,0,0,0,0|0,0,0]=2 1423 B10R1.8 COC1=CC(C)=CC(N)=C1 31028 [1,1,0,0,0,0|0,0,0]=2 1424 B10R1.8 COC1=CC(C)=NC(N)=N1 21464 [1,1,0,0,0,0|2,0,0]=4 1425 B10R1.8 COC1=CC(Cl)=CC(Cl)=C1 3684 [1,1,0,0,0,0|1,0,0]=3 1426 B10R1.8 COC1=CC(Cl)=CC(Cl)=N1 32328 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.8 COC1=CC(Cl)=CC(F)=C1 2661 [1,1,0,0,0,0|1,0,0]=3 1428 B10R1.8 COC1=CC(Cl)=NC(C)=N1 29065 [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.8 COC1=CC(F)=CC(F)=C1 1967 [1,1,0,0,0,0|1,0,0]=3 1430 B10R1.8 COC1=CC(F)=NC(F)=C1 29420 [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.8 COC1=CC(I)=CC(F)=N1 32977 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.8 COC1=CC(N)=CC(Br)=C1 31040 [1,1,0,0,0,0|1,0,0]=3 1433 B10R1.8 COC1=CC(N)=CC(Cl)=C1 31015 [1,1,0,0,0,0|1,0,0]=3 1434 B10R1.8 COC1=CC(N)=CC(F)=C1 31082 [1,1,0,0,0,0|1,0,0]=3 1435 B10R1.8 COC1=CC(O)=CC(Br)=C1 23048 [1,1,0,0,0,0|1,0,0]=3 1436 B10R1.8 COC1=CC(O)=CC(Cl)=C1 16948 [1,1,0,0,0,0|1,0,0]=3 1437 B10R1.8 COC1=CC(O)=CC(F)=C1 31095 [1,1,0,0,0,0|1,0,0]=3 1438 B10R1.8 COC1=NC(C)=CC(C)=N1 21469 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.8 COC1=NC(Cl)=NC(C)=C1 33773 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.8 CSC1=CC(Br)=CC(F)=C1 27650 [1,1,0,0,0,0|1,1,0]=4 1441 B10R1.8 CSC1=CC(Cl)=CC(Cl)=C1 10647 [1,1,0,0,0,0|1,1,0]=4 1442 B10R1.8 CSC1=CC(O)=CC(Br)=C1 28076 [1,1,0,0,0,0|1,1,0]=4 1443 B10R1.8 Cc1cc(Br)cc(CO)c1 31366 [1,1,0,0,0,0|2,0,0]=4 1444 B10R1.8 Cc1cc(C)cc(CN)c1 7407 [1,1,0,0,0,0|2,0,0]=4 1445 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [1,1,0,0,0,0|2,0,0]=4 1446 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [1,1,0,0,0,0|1,0,0]=3 1447 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [1,1,0,0,0,0|2,0,0]=4 1448 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [1,1,0,0,0,0|0,0,0]=2 1449 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [1,1,0,0,0,0|1,0,0]=3 1450 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [1,1,0,0,0,0|1,0,0]=3 1451 B10R1.10 CCOC1=CC(F)=NC=C1 6672 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [1,1,0,0,0,0|1,0,0]=3 1453 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [1,1,0,0,0,0|1,0,0]=3 1454 B10R1.10 CCOC1=CC(N)=NC=C1 5698 [1,1,0,0,0,0|2,0,0]=4 1455 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [1,1,0,0,0,0|2,0,0]=4 1456 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [1,1,0,0,0,0|1,0,0]=3 1457 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [1,1,0,0,0,0|1,0,0]=3 1458 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [1,1,0,0,0,0|2,0,0]=4 1459 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [1,1,0,0,0,0|2,0,0]=4 1460 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [1,1,0,0,0,0|2,0,0]=4 1461 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [1,1,0,0,0,0|2,0,0]=4 1462 B10R1.10 CCOC1=NC=NC(C)=C1 21485 [1,1,0,0,0,0|2,0,0]=4 1463 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|1,0,0]=3 1465 B10R1.10 COCC1=CN=CC(Br)=C1 22088 [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|2,0,0]=4 1467 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|2,0,0]=4 1468 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|2,0,0]=4 1470 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|2,0,0]=4 1471 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [1,1,0,0,0,0|1,0,0]=3 1478 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.113 CC(C)c1cccc(Br)c1 27489 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.113 CC(N)C1=CC(F)=CC=C1 24339 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.113 CC1=CC(B(O)O)=CC=C1 1872 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [1,1,0,0,0,0|2,0,0]=4 1492 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.113 CC1=CC=CC(C(O)=S)=C1 28685 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.113 CN(C)C1=CC(Br)=CC=C1 3760 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 3637 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.113 CN(C)C1=CC(F)=CC=C1 5244 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.113 CN(C)C1=CC(N)=CC=C1 14991 [1,1,0,0,0,0|2,0,0]=4 1498 B10R1.113 CN(C)C1=CC=CC(O)=C1 11072 [1,1,0,0,0,0|2,0,0]=4 1499 B10R1.113 C[C@@H](N)C1=CC(Cl)=CC=C1 24741 [1,1,0,0,0,0|2,0,0]=4 1500 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 24730 [1,1,0,0,0,0|2,0,0]=4 1501 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [1,1,0,0,0,0|2,0,0]=4 1502 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [1,1,0,0,0,0|2,0,0]=4 1503 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [1,1,0,0,0,0|2,0,0]=4 1504 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 14235 [1,1,0,0,0,0|2,0,0]=4 1505 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 24746 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.113 C[C@H](N)C1=CC(Cl)=CC=C1 24735 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 25216 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.172 BrCC1=CC=CC(CBr)=C1 7491 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.172 CCC1=CC=CC(C#N)=C1 5432 [1,1,0,0,0,0|1,0,1]=4 1513 B10R1.172 CCC1=CC=CC(C=O)=C1 3073 [1,1,0,0,0,0|1,0,1]=4 1514 B10R1.172 CNC1=CC=CC(NC)=C1 21395 [1,1,0,0,0,0|1,0,0]=3 1515 B10R1.172 CNC1=CC=CC(OC)=N1 15374 [1,1,0,0,0,0|1,0,0]=3 1516 B10R1.172 COC1=CC(C#N)=CN=C1 16544 [1,1,0,0,0,0|1,0,1]=4 1517 B10R1.172 COC1=CC(C=O)=NC=C1 27798 [1,1,0,0,0,0|1,0,1]=4 1518 B10R1.172 COC1=CC(CN)=NC=C1 27624 [1,1,0,0,0,0|1,0,0]=3 1519 B10R1.172 COC1=CC(CN)=NC=C1 34573 [1,1,0,0,0,0|1,0,0]=3 1520 B10R1.172 COC1=CC(CO)=NC=C1 9295 [1,1,0,0,0,0|1,0,0]=3 1521 B10R1.172 COC1=CC(OC)=NC=N1 7178 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [1,1,0,0,0,0|0,0,1]=3 1523 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [1,1,0,0,0,0|0,0,1]=3 1524 B10R1.172 COC1=CC=CC(C=O)=N1 15345 [1,1,0,0,0,0|1,0,1]=4 1525 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [1,1,0,0,0,0|0,0,0]=2 1526 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [1,1,0,0,0,0|0,0,0]=2 1527 B10R1.172 COC1=CC=CC(CN)=C1 7401 [1,1,0,0,0,0|0,0,0]=2 1528 B10R1.172 COC1=CC=CC(CO)=C1 3095 [1,1,0,0,0,0|0,0,0]=2 1529 B10R1.172 COC1=CC=CC(CO)=N1 16585 [1,1,0,0,0,0|1,0,0]=3 1530 B10R1.172 COC1=CC=CC(OC)=N1 29237 [1,1,0,0,0,0|1,0,0]=3 1531 B10R1.172 COC1=CC=CC(SC)=C1 10653 [1,1,0,0,0,0|0,0,0]=2 1532 B10R1.172 COC1=CN=CC(C=O)=C1 27156 [1,1,0,0,0,0|1,0,1]=4 1533 B10R1.172 COC1=CN=CC(OC)=C1 18112 [1,1,0,0,0,0|1,0,0]=3 1534 B10R1.172 COC1=CN=CC(OC)=N1 8614 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.172 COC1=NC(OC)=NC=C1 7104 [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.172 COC1=NC=CC(C=O)=C1 17088 [1,1,0,0,0,0|1,0,1]=4 1537 B10R1.172 COC1=NC=CC(CCl)=C1 24332 [1,1,0,0,0,0|1,0,0]=3 1538 B10R1.172 CSC1=CC=CC(CCl)=C1 32305 [1,1,0,0,0,0|0,1,0]=3 1539 B10R1.172 ClCC1=CC=CC(CCl)=C1 7521 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.172 N#CC1=CC(CN)=CC=C1 18585 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.172 N#CC1=CC=CC(CBr)=C1 15686 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.172 N#CC1=CC=CC(CCl)=C1 10207 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.172 N#Cc1cccc(CO)c1 30787 [1,1,0,0,0,0|2,0,0]=4 1544 B10R1.172 NCC1=CC=CC(CN)=C1 17202 [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.172 O=CC1=CC(CBr)=CC=C1 17017 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.172 SCC1=CC=CC(CS)=C1 6869 [1,1,0,0,0,0|2,0,0]=4 1547 B10R1.176 CC1=C(Br)C=CC(C#N)=C1 3808 [1,1,0,0,0,0|2,0,0]=4 1548 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 30935 [1,1,0,0,0,0|2,0,0]=4 1549 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 24290 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.176 CC1=C(C)C=C(C#N)C=C1 14892 [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [1,1,0,0,0,0|2,0,0]=4 1555 B10R1.176 CC1=C(C)C=C(NN)C=C1 19865 [1,1,0,0,0,0|2,0,0]=4 1556 B10R1.176 CC1=C(C)C=C(NN)C=C1 21448 [1,1,0,0,0,0|2,0,0]=4 1557 B10R1.176 CC1=C(C)C=C(NN)C=C1 7555 [1,1,0,0,0,0|2,0,0]=4 1558 B10R1.176 CC1=C(Cl)C=CC(C#N)=C1 8005 [1,1,0,0,0,0|2,0,0]=4 1559 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 28400 [1,1,0,0,0,0|2,0,0]=4 1560 B10R1.176 CC1=C(F)C=CC(C#N)=C1 1553 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.176 CC1=C(F)C=CC(C=O)=C1 1457 [1,1,0,0,0,0|2,0,0]=4 1562 B10R1.176 CC1=C(F)C=CC(CN)=C1 4495 [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.176 CC1=C(N)C=CC(C#N)=C1 4667 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.176 CCC1=CC(Br)=C(N)C=C1 5314 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 3644 [1,1,0,0,0,0|2,0,0]=4 1568 B10R1.176 CCC1=CC=C(N)C(N)=C1 31890 [1,1,0,0,0,0|2,0,0]=4 1569 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [1,1,0,0,0,0|2,0,0]=4 1570 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 28299 [1,1,0,0,0,0|2,0,0]=4 1571 B10R1.176 COC1=CC(Br)=C(Br)C=C1 4110 [1,1,0,0,0,0|1,0,0]=3 1572 B10R1.176 COC1=CC(Br)=C(C)C=C1 24319 [1,1,0,0,0,0|1,0,0]=3 1573 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 4555 [1,1,0,0,0,0|1,0,0]=3 1574 B10R1.176 COC1=CC(Br)=C(F)C=C1 28354 [1,1,0,0,0,0|1,0,0]=3 1575 B10R1.176 COC1=CC(Br)=C(N)C=C1 31003 [1,1,0,0,0,0|1,0,0]=3 1576 B10R1.176 COC1=CC(Br)=C(N)C=C1 4332 [1,1,0,0,0,0|1,0,0]=3 1577 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [1,1,0,0,0,0|1,0,0]=3 1578 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [1,1,0,0,0,0|0,0,0]=2 1579 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [1,1,0,0,0,0|0,0,0]=2 1580 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [1,1,0,0,0,0|0,0,0]=2 1581 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [1,1,0,0,0,0|0,0,0]=2 1582 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [1,1,0,0,0,0|0,0,0]=2 1583 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [1,1,0,0,0,0|0,0,0]=2 1584 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [1,1,0,0,0,0|0,0,0]=2 1585 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 2631 [1,1,0,0,0,0|1,0,0]=3 1586 B10R1.176 COC1=CC(Cl)=C(C)C=C1 4101 [1,1,0,0,0,0|1,0,0]=3 1587 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 3683 [1,1,0,0,0,0|1,0,0]=3 1588 B10R1.176 COC1=CC(Cl)=C(F)C=C1 2660 [1,1,0,0,0,0|1,0,0]=3 1589 B10R1.176 COC1=CC(Cl)=C(I)C=C1 27614 [1,1,0,0,0,0|1,0,0]=3 1590 B10R1.176 COC1=CC(Cl)=C(N)C=C1 27577 [1,1,0,0,0,0|1,0,0]=3 1591 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [1,1,0,0,0,0|1,0,0]=3 1592 B10R1.176 COC1=CC(F)=C(Br)C=C1 1970 [1,1,0,0,0,0|1,0,0]=3 1593 B10R1.176 COC1=CC(F)=C(Br)C=C1 20025 [1,1,0,0,0,0|1,0,0]=3 1594 B10R1.176 COC1=CC(F)=C(C)C=C1 2621 [1,1,0,0,0,0|1,0,0]=3 1595 B10R1.176 COC1=CC(F)=C(Cl)C=C1 2663 [1,1,0,0,0,0|1,0,0]=3 1596 B10R1.176 COC1=CC(F)=C(F)C=C1 3457 [1,1,0,0,0,0|1,0,0]=3 1597 B10R1.176 COC1=CC(F)=C(N)C=C1 15755 [1,1,0,0,0,0|1,0,0]=3 1598 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [1,1,0,0,0,0|1,0,0]=3 1599 B10R1.176 COC1=CC(I)=C(Br)C=C1 5347 [1,1,0,0,0,0|1,0,0]=3 1600 B10R1.176 COC1=CC(I)=C(Cl)C=C1 5291 [1,1,0,0,0,0|1,0,0]=3 1601 B10R1.176 COC1=CC(I)=C(N)C=C1 10738 [1,1,0,0,0,0|1,0,0]=3 1602 B10R1.176 COC1=CC(N)=C(Br)C=C1 5335 [1,1,0,0,0,0|1,0,0]=3 1603 B10R1.176 COC1=CC(N)=C(Br)C=C1 5367 [1,1,0,0,0,0|1,0,0]=3 1604 B10R1.176 COC1=CC(N)=C(C)C=C1 19827 [1,1,0,0,0,0|1,0,0]=3 1605 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3658 [1,1,0,0,0,0|1,0,0]=3 1606 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3660 [1,1,0,0,0,0|1,0,0]=3 1607 B10R1.176 COC1=CC(N)=C(F)C=C1 15806 [1,1,0,0,0,0|1,0,0]=3 1608 B10R1.176 COC1=CC(N)=C(I)C=C1 31005 [1,1,0,0,0,0|1,0,0]=3 1609 B10R1.176 COC1=CC(N)=C(N)C=C1 28370 [1,1,0,0,0,0|1,0,0]=3 1610 B10R1.176 COC1=CC(N)=C(N)C=C1 28371 [1,1,0,0,0,0|1,0,0]=3 1611 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [1,1,0,0,0,0|1,0,0]=3 1612 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [1,1,0,0,0,0|1,0,0]=3 1613 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [1,1,0,0,0,0|1,0,0]=3 1614 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [1,1,0,0,0,0|1,0,0]=3 1615 B10R1.176 COC1=CC(S)=C(N)C=C1 21901 [1,1,0,0,0,0|1,0,0]=3 1616 B10R1.176 COC1=CC=C(Cl)C(Br)=N1 34861 [1,1,0,0,0,0|2,0,0]=4 1617 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 27271 [1,1,0,0,0,0|2,0,0]=4 1618 B10R1.176 COC1=CC=C(Cl)C(N)=N1 34185 [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.176 COC1=CC=C(N)C(Br)=N1 1233 [1,1,0,0,0,0|2,0,0]=4 1620 B10R1.176 COC1=CC=C(N)C(C)=N1 1267 [1,1,0,0,0,0|1,0,0]=3 1621 B10R1.176 COC1=CC=C(N)C(C)=N1 16794 [1,1,0,0,0,0|1,0,0]=3 1622 B10R1.176 COC1=CC=C(N)C(N)=N1 20870 [1,1,0,0,0,0|2,0,0]=4 1623 B10R1.176 COC1=CC=C(N)C(N)=N1 5392 [1,1,0,0,0,0|2,0,0]=4 1624 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [1,1,0,0,0,0|1,0,0]=3 1625 B10R1.176 COC1=CN=C(Cl)C(N)=C1 26205 [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.176 COC1=NC(C)=C(Br)C=C1 29228 [1,1,0,0,0,0|1,0,0]=3 1627 B10R1.176 COC1=NC(C)=C(Br)C=C1 6601 [1,1,0,0,0,0|1,0,0]=3 1628 B10R1.176 COC1=NC(C)=C(F)C=C1 6605 [1,1,0,0,0,0|1,0,0]=3 1629 B10R1.176 COC1=NC(C)=C(N)C=C1 1133 [1,1,0,0,0,0|1,0,0]=3 1630 B10R1.176 COC1=NC=C(Br)C(C)=C1 6600 [1,1,0,0,0,0|1,0,0]=3 1631 B10R1.176 COC1=NC=C(Br)C(C)=N1 27835 [1,1,0,0,0,0|2,0,0]=4 1632 B10R1.176 COC1=NC=C(Cl)C(Br)=C1 34352 [1,1,0,0,0,0|2,0,0]=4 1633 B10R1.176 COC1=NC=C(F)C(Br)=C1 17047 [1,1,0,0,0,0|2,0,0]=4 1634 B10R1.176 COC1=NC=C(F)C(C)=C1 6604 [1,1,0,0,0,0|1,0,0]=3 1635 B10R1.176 COC1=NC=C(F)C(I)=C1 15251 [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.176 COC1=NC=C(F)C(N)=C1 34238 [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.176 COC1=NC=C(N)C(C)=C1 6599 [1,1,0,0,0,0|1,0,0]=3 1638 B10R1.176 COc1ccc(Br)c(N)c1 26521 [1,1,0,0,0,0|1,0,0]=3 1639 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,1,0,0,0,0|1,0,0]=3 1642 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,1,0,0,0,0|1,0,0]=3 1645 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,1,0,0,0,0|1,0,0]=3 1646 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [1,1,0,0,0,0|2,0,0]=4 1647 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,1,0,0,0,0|1,0,0]=3 1648 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [1,1,0,0,0,0|2,0,0]=4 1649 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [1,1,0,0,0,0|2,0,0]=4 1650 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,1,0,0,0,0|0,0,0]=2 1651 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,1,0,0,0,0|0,1,0]=3 1652 B10R1.4 CCOC1=CC=CN=C1Br 5890 [1,1,0,0,0,0|2,0,0]=4 1653 B10R1.4 CCOC1=CC=CN=C1C 34423 [1,1,0,0,0,0|2,0,0]=4 1654 B10R1.4 CCOC1=CC=CN=C1N 5585 [1,1,0,0,0,0|2,0,0]=4 1655 B10R1.4 CCOC1=NC=CC=C1Br 6233 [1,1,0,0,0,0|2,0,0]=4 1656 B10R1.4 CCOC1=NC=CC=C1I 9248 [1,1,0,0,0,0|2,0,0]=4 1657 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,1,0,0,0,0|1,1,0]=4 1658 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|1,0,0]=3 1659 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|2,0,0]=4 1660 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|2,0,0]=4 1661 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|1,0,0]=3 1664 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|2,0,0]=4 1667 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|1,0,0]=3 1668 B10R1.20 CCC1=C(C#N)C=CC=C1 12591 [1,1,0,0,0,0|2,0,0]=4 1669 B10R1.20 CCC1=C(C=O)C=CC=C1 3074 [1,1,0,0,0,0|1,0,1]=4 1670 B10R1.20 CCC1=C(NN)C=CC=C1 6412 [1,1,0,0,0,0|2,0,0]=4 1671 B10R1.20 CNC1=NC=CC=C1CO 29183 [1,1,0,0,0,0|2,0,0]=4 1672 B10R1.20 COC1=C(C#N)C=CC=C1 4812 [1,1,0,0,0,0|1,0,0]=3 1673 B10R1.20 COC1=C(C=O)C=CC=C1 7413 [1,1,0,0,0,0|0,0,1]=3 1674 B10R1.20 COC1=C(C=O)C=CN=C1 33676 [1,1,0,0,0,0|1,0,1]=4 1675 B10R1.20 COC1=C(C=O)C=NC=C1 15264 [1,1,0,0,0,0|1,0,1]=4 1676 B10R1.20 COC1=C(CBr)C=CC=C1 14738 [1,1,0,0,0,0|1,0,0]=3 1677 B10R1.20 COC1=C(CCl)C=CC=C1 4651 [1,1,0,0,0,0|1,0,0]=3 1678 B10R1.20 COC1=C(CN)C=CC=C1 7402 [1,1,0,0,0,0|1,0,0]=3 1679 B10R1.20 COC1=C(CO)C=CC=C1 7736 [1,1,0,0,0,0|0,0,0]=2 1680 B10R1.20 COC1=C(NN)C=CC=C1 16110 [1,1,0,0,0,0|1,0,0]=3 1681 B10R1.20 COC1=C(NN)C=CC=C1 4496 [1,1,0,0,0,0|1,0,0]=3 1682 B10R1.20 COC1=C(OC)C=CC=C1 15018 [1,1,0,0,0,0|0,0,0]=2 1683 B10R1.20 COC1=C(SC)C=CC=C1 10651 [1,1,0,0,0,0|0,1,0]=3 1684 B10R1.20 COC1=CC=CN=C1C#N 29062 [1,1,0,0,0,0|2,0,0]=4 1685 B10R1.20 COC1=CC=CN=C1CO 24107 [1,1,0,0,0,0|1,0,0]=3 1686 B10R1.20 COC1=CC=CN=C1OC 2412 [1,1,0,0,0,0|1,0,0]=3 1687 B10R1.20 COC1=CC=NC=C1C#N 13984 [1,1,0,0,0,0|2,0,0]=4 1688 B10R1.20 COC1=NC=CC=C1C=O 15124 [1,1,0,0,0,0|1,0,1]=4 1689 B10R1.20 CSC1=C(C=O)C=CC=C1 10676 [1,1,0,0,0,0|0,1,1]=4 1690 B10R1.20 NCC1=C(CO)C=CC=C1 16185 [1,1,0,0,0,0|2,0,0]=4 1691 B10R1.20 OCC1=CC=CC=C1CO 22613 [1,1,0,0,0,0|2,0,0]=4 1692 B10R1.25 CC1=CC(O)=C(C#N)C=C1 30774 [1,1,0,0,0,0|2,0,0]=4 1693 B10R1.25 CC1=CC=C(C=O)C(O)=C1 8154 [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27787 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 27794 [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.25 CNC1=C(F)C=C(F)C=C1 10041 [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.25 CNC1=CC=C(Br)C=C1N 34299 [1,1,0,0,0,0|2,0,0]=4 1698 B10R1.25 COC1=C(Br)C=C(Br)C=C1 3847 [1,1,0,0,0,0|1,0,0]=3 1699 B10R1.25 COC1=C(Br)C=C(C)C=C1 3797 [1,1,0,0,0,0|1,0,0]=3 1700 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 2629 [1,1,0,0,0,0|1,0,0]=3 1701 B10R1.25 COC1=C(Br)C=C(F)C=C1 1972 [1,1,0,0,0,0|1,0,0]=3 1702 B10R1.25 COC1=C(Br)C=C(N)C=C1 16856 [1,1,0,0,0,0|1,0,0]=3 1703 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [1,1,0,0,0,0|1,0,0]=3 1704 B10R1.25 COC1=C(Br)C=C(O)C=N1 34282 [1,1,0,0,0,0|2,0,0]=4 1705 B10R1.25 COC1=C(C)C=C(Br)C=C1 3798 [1,1,0,0,0,0|1,0,0]=3 1706 B10R1.25 COC1=C(C)C=C(C)C=C1 5359 [1,1,0,0,0,0|1,0,0]=3 1707 B10R1.25 COC1=C(C)C=C(Cl)C=C1 2665 [1,1,0,0,0,0|1,0,0]=3 1708 B10R1.25 COC1=C(C)C=C(F)C=C1 2622 [1,1,0,0,0,0|1,0,0]=3 1709 B10R1.25 COC1=C(C)C=C(N)C=C1 15790 [1,1,0,0,0,0|1,0,0]=3 1710 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [1,1,0,0,0,0|1,0,0]=3 1711 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 2630 [1,1,0,0,0,0|1,0,0]=3 1712 B10R1.25 COC1=C(Cl)C=C(C)C=C1 27687 [1,1,0,0,0,0|1,0,0]=3 1713 B10R1.25 COC1=C(Cl)C=C(F)C=C1 2658 [1,1,0,0,0,0|1,0,0]=3 1714 B10R1.25 COC1=C(Cl)C=C(N)C=C1 17270 [1,1,0,0,0,0|1,0,0]=3 1715 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [1,1,0,0,0,0|1,0,0]=3 1716 B10R1.25 COC1=C(Cl)N=C(N)C=C1 22126 [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.25 COC1=C(F)C=C(Br)C=C1 1971 [1,1,0,0,0,0|1,0,0]=3 1718 B10R1.25 COC1=C(F)C=C(C)C=C1 24850 [1,1,0,0,0,0|1,0,0]=3 1719 B10R1.25 COC1=C(F)C=C(Cl)C=C1 2662 [1,1,0,0,0,0|1,0,0]=3 1720 B10R1.25 COC1=C(F)C=C(F)C=C1 3455 [1,1,0,0,0,0|1,0,0]=3 1721 B10R1.25 COC1=C(F)C=C(N)C=C1 2125 [1,1,0,0,0,0|1,0,0]=3 1722 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [1,1,0,0,0,0|1,0,0]=3 1723 B10R1.25 COC1=C(F)C=C(S)C=C1 6875 [1,1,0,0,0,0|1,0,0]=3 1724 B10R1.25 COC1=C(I)C=C(Cl)C=C1 14310 [1,1,0,0,0,0|1,0,0]=3 1725 B10R1.25 COC1=C(I)C=C(N)C=C1 3307 [1,1,0,0,0,0|1,0,0]=3 1726 B10R1.25 COC1=C(I)C=C(N)C=C1 3310 [1,1,0,0,0,0|1,0,0]=3 1727 B10R1.25 COC1=C(N)C=C(F)C=C1 2256 [1,1,0,0,0,0|1,0,0]=3 1728 B10R1.25 COC1=C(N)C=C(I)C=C1 28345 [1,1,0,0,0,0|1,0,0]=3 1729 B10R1.25 COC1=C(N)C=C(N)C=C1 1905 [1,1,0,0,0,0|1,0,0]=3 1730 B10R1.25 COC1=C(N)C=C(N)C=C1 24784 [1,1,0,0,0,0|1,0,0]=3 1731 B10R1.25 COC1=C(N)C=C(N)C=C1 4107 [1,1,0,0,0,0|1,0,0]=3 1732 B10R1.25 COC1=C(O)C=C(Br)C=C1 26431 [1,1,0,0,0,0|0,0,0]=2 1733 B10R1.25 COC1=C(O)C=C(C)C=C1 31088 [1,1,0,0,0,0|0,0,0]=2 1734 B10R1.25 COC1=C(O)C=C(F)C=C1 3882 [1,1,0,0,0,0|0,0,0]=2 1735 B10R1.25 COC1=C(O)C=C(N)C=C1 3112 [1,1,0,0,0,0|0,0,0]=2 1736 B10R1.25 COC1=CC=C(N)N=C1C 6638 [1,1,0,0,0,0|2,0,0]=4 1737 B10R1.25 COC1=CN=C(O)N=C1O 7099 [1,1,0,0,0,0|2,0,0]=4 1738 B10R1.25 COC1=NC=C(Br)C=C1Br 6581 [1,1,0,0,0,0|2,0,0]=4 1739 B10R1.25 COC1=NC=C(Br)C=C1C 22058 [1,1,0,0,0,0|2,0,0]=4 1740 B10R1.25 COC1=NC=C(Br)C=C1Cl 1164 [1,1,0,0,0,0|2,0,0]=4 1741 B10R1.25 COC1=NC=C(Br)C=C1F 10468 [1,1,0,0,0,0|2,0,0]=4 1742 B10R1.25 COC1=NC=C(Br)C=C1I 8079 [1,1,0,0,0,0|2,0,0]=4 1743 B10R1.25 COC1=NC=C(Br)C=C1N 17164 [1,1,0,0,0,0|2,0,0]=4 1744 B10R1.25 COC1=NC=C(C)C=C1I 26966 [1,1,0,0,0,0|2,0,0]=4 1745 B10R1.25 COC1=NC=C(Cl)C=C1Br 6584 [1,1,0,0,0,0|2,0,0]=4 1746 B10R1.25 COC1=NC=C(Cl)C=C1O 26938 [1,1,0,0,0,0|1,0,0]=3 1747 B10R1.25 COC1=NC=C(F)C=C1Br 1175 [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.25 COC1=NC=C(F)C=C1C 6603 [1,1,0,0,0,0|2,0,0]=4 1749 B10R1.25 COC1=NC=C(F)C=C1O 15267 [1,1,0,0,0,0|1,0,0]=3 1750 B10R1.25 COC1=NC=C(N)C=C1Br 1147 [1,1,0,0,0,0|2,0,0]=4 1751 B10R1.25 COC1=NC=C(N)C=C1C 1268 [1,1,0,0,0,0|2,0,0]=4 1752 B10R1.25 COc1ccc(Cl)cc1O 31127 [1,1,0,0,0,0|0,0,0]=2 1753 B10R1.25 CSC1=C(C)C=C(O)C=C1 10656 [1,1,0,0,0,0|1,1,0]=4 1754 B10R1.25 CSC1=C(F)C=C(F)C=C1 10719 [1,1,0,0,0,0|1,1,0]=4 1755 B10R1.25 N#CC1=C(O)C=C(Br)C=C1 3781 [1,1,0,0,0,0|2,0,0]=4 1756 B10R1.25 N#CC1=C(O)C=C(Cl)C=C1 28727 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.25 N#CC1=C(O)C=C(F)C=C1 26276 [1,1,0,0,0,0|2,0,0]=4 1758 B10R1.25 N#CC1=C(O)C=C(N)C=C1 27615 [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.25 N#CC1=C(O)C=C(O)C=C1 13114 [1,1,0,0,0,0|2,0,0]=4 1760 B10R1.25 O=CC1=C(O)C=C(Br)C=C1 16944 [1,1,0,0,0,0|2,0,0]=4 1761 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 22142 [1,1,0,0,0,0|2,0,0]=4 1762 B10R1.25 O=CC1=C(O)C=C(F)C=C1 8483 [1,1,0,0,0,0|2,0,0]=4 1763 B10R1.25 O=CC1=C(O)C=C(O)C=C1 8218 [1,1,0,0,0,0|2,0,0]=4 1764 B10R1.25 OCC1=C(O)C=C(Br)C=C1 15237 [1,1,0,0,0,0|2,0,0]=4 1765 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [1,1,0,0,0,0|2,0,0]=4 1766 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [1,1,0,0,0,0|2,0,0]=4 1767 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [1,1,0,0,0,0|2,0,0]=4 1769 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [1,1,0,0,0,0|2,0,0]=4 1770 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [1,1,0,0,0,0|1,0,0]=3 1771 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [1,1,0,0,0,0|2,0,0]=4 1772 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [1,1,0,0,0,0|2,0,0]=4 1773 B10R1.61 CC(C)C1=C(O)C=CN=C1 35264 [1,1,0,0,0,0|2,0,0]=4 1774 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [1,1,0,0,0,0|1,1,0]=4 1775 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3759 [1,1,0,0,0,0|2,0,0]=4 1776 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 5269 [1,1,0,0,0,0|2,0,0]=4 1777 B10R1.61 CN(C)C1=C(F)C=CC=C1 5243 [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 24734 [1,1,0,0,0,0|2,0,0]=4 1779 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [1,1,0,0,0,0|1,0,0]=3 1780 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [1,1,0,0,0,0|2,0,0]=4 1781 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [1,1,0,0,0,0|2,0,0]=4 1782 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [1,1,0,0,0,0|2,0,0]=4 1783 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 24731 [1,1,0,0,0,0|2,0,0]=4 1784 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 15728 [1,1,0,0,0,0|2,0,0]=4 1785 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [1,1,0,0,0,0|2,0,0]=4 1786 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [1,1,0,0,0,0|2,0,0]=4 1787 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [1,1,0,0,0,0|2,0,0]=4 1789 B10R1.61 OB(O)C1=C(O)C=CC=C1 9522 [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.245 CC1=C(C=O)C(O)=CC=C1 22141 [1,1,0,0,0,0|2,0,0]=4 1791 B10R1.245 CC1=CC=CC(O)=C1C#N 30777 [1,1,0,0,0,0|2,0,0]=4 1792 B10R1.245 CCC1=C(O)C=CC=C1N 28129 [1,1,0,0,0,0|1,0,0]=3 1793 B10R1.245 CNC1=C(F)C=CC=C1F 34785 [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.245 COC1=C(Br)C=CC=C1Br 4108 [1,1,0,0,0,0|1,0,0]=3 1795 B10R1.245 COC1=C(Br)C=CC=C1F 4126 [1,1,0,0,0,0|1,0,0]=3 1796 B10R1.245 COC1=C(C)C=CC=C1C 4115 [1,1,0,0,0,0|1,0,0]=3 1797 B10R1.245 COC1=C(C)NC=CC1=O 36249 [1,1,0,0,0,0|1,0,1]=4 1798 B10R1.245 COC1=C(Cl)C=CC=C1C 5300 [1,1,0,0,0,0|1,0,0]=3 1799 B10R1.245 COC1=C(Cl)C=CC=C1Cl 3682 [1,1,0,0,0,0|1,0,0]=3 1800 B10R1.245 COC1=C(Cl)C=CC=C1F 20256 [1,1,0,0,0,0|1,0,0]=3 1801 B10R1.245 COC1=C(F)C=CC=C1F 1968 [1,1,0,0,0,0|1,0,0]=3 1802 B10R1.245 COC1=C(F)C=CC=C1I 3054 [1,1,0,0,0,0|1,0,0]=3 1803 B10R1.245 COC1=C(I)C=CN=C1Br 26876 [1,1,0,0,0,0|2,0,0]=4 1804 B10R1.245 COC1=C(N)C=CC=C1Br 17787 [1,1,0,0,0,0|1,0,0]=3 1805 B10R1.245 COC1=C(N)C=CC=C1Cl 31013 [1,1,0,0,0,0|1,0,0]=3 1806 B10R1.245 COC1=C(N)C=CC=C1F 3021 [1,1,0,0,0,0|1,0,0]=3 1807 B10R1.245 COC1=C(O)C=CC=C1Br 28106 [1,1,0,0,0,0|0,0,0]=2 1808 B10R1.245 COC1=C(O)C=CC=C1Cl 27362 [1,1,0,0,0,0|0,0,0]=2 1809 B10R1.245 COC1=C(O)C=CC=C1F 33437 [1,1,0,0,0,0|0,0,0]=2 1810 B10R1.245 COC1=C(O)C=CN=C1Br 27180 [1,1,0,0,0,0|1,0,0]=3 1811 B10R1.245 COC1=C(O)N=CN=C1O 7100 [1,1,0,0,0,0|2,0,0]=4 1812 B10R1.245 CSC1=C(O)C=CC=C1Br 27603 [1,1,0,0,0,0|0,1,0]=3 1813 B10R1.245 N#CC1=C(Br)C=CC=C1O 28720 [1,1,0,0,0,0|2,0,0]=4 1814 B10R1.245 N#CC1=C(Cl)C=CC=C1O 25376 [1,1,0,0,0,0|2,0,0]=4 1815 B10R1.245 N#CC1=C(F)C=CC=C1O 2223 [1,1,0,0,0,0|2,0,0]=4 1816 B10R1.245 O=CC1=C(Br)C=CC=C1O 17006 [1,1,0,0,0,0|2,0,0]=4 1817 B10R1.245 O=CC1=C(Cl)C=CC=C1O 17008 [1,1,0,0,0,0|2,0,0]=4 1818 B10R1.245 O=CC1=C(F)C=CC=C1O 8482 [1,1,0,0,0,0|2,0,0]=4 1819 B10R1.245 O=CC1=C(O)C=CC=C1I 30989 [1,1,0,0,0,0|2,0,0]=4 1820 B10R1.22 CC1=C(Br)C(F)=CC(F)=C1 31580 [1,1,0,0,0,0|2,0,0]=4 1821 B10R1.22 CC1=C(Cl)C(F)=CC(Cl)=C1 28982 [1,1,0,0,0,0|2,0,0]=4 1822 B10R1.22 CC1=C(N)C(Br)=CC(Br)=C1 4510 [1,1,0,0,0,0|2,0,0]=4 1823 B10R1.22 CC1=C(N)C(N)=CC(Br)=C1 22667 [1,1,0,0,0,0|2,0,0]=4 1824 B10R1.22 CC1=CC(Br)=C(Cl)C(Br)=C1 31583 [1,1,0,0,0,0|2,0,0]=4 1825 B10R1.22 CC1=CC(Br)=C(Cl)C(Cl)=C1 31584 [1,1,0,0,0,0|2,0,0]=4 1826 B10R1.22 CC1=CC(Br)=C(I)C(Br)=C1 3827 [1,1,0,0,0,0|2,0,0]=4 1827 B10R1.22 CC1=CC(Br)=C(N)C(Br)=C1 2334 [1,1,0,0,0,0|2,0,0]=4 1828 B10R1.22 CC1=CC(Br)=C(N)C(C)=C1 3761 [1,1,0,0,0,0|1,0,0]=3 1829 B10R1.22 CC1=CC(Br)=C(N)C(F)=C1 5234 [1,1,0,0,0,0|2,0,0]=4 1830 B10R1.22 CC1=CC(Br)=C(N)C(I)=C1 5334 [1,1,0,0,0,0|2,0,0]=4 1831 B10R1.22 CC1=CC(Br)=C(O)C(Br)=C1 3860 [1,1,0,0,0,0|1,0,0]=3 1832 B10R1.22 CC1=CC(Br)=C(O)C(Br)=N1 5434 [1,1,0,0,0,0|2,0,0]=4 1833 B10R1.22 CC1=CC(Br)=CC(C)=C1Cl 33805 [1,1,0,0,0,0|2,0,0]=4 1834 B10R1.22 CC1=CC(Br)=CC(C)=C1F 27466 [1,1,0,0,0,0|2,0,0]=4 1835 B10R1.22 CC1=CC(Br)=CC(C)=C1I 16039 [1,1,0,0,0,0|2,0,0]=4 1836 B10R1.22 CC1=CC(Br)=CC(C)=C1N 2054 [1,1,0,0,0,0|2,0,0]=4 1837 B10R1.22 CC1=CC(Br)=CC(C)=C1O 9579 [1,1,0,0,0,0|1,0,0]=3 1838 B10R1.22 CC1=CC(Br)=CC(Cl)=C1N 23742 [1,1,0,0,0,0|2,0,0]=4 1839 B10R1.22 CC1=CC(C)=C(Br)C(C)=C1 11251 [1,1,0,0,0,0|1,0,0]=3 1840 B10R1.22 CC1=CC(C)=C(F)C(Br)=C1 9535 [1,1,0,0,0,0|1,0,0]=3 1841 B10R1.22 CC1=CC(C)=C(F)C(C)=C1 16939 [1,1,0,0,0,0|1,0,0]=3 1842 B10R1.22 CC1=CC(C)=C(I)C(C)=C1 12601 [1,1,0,0,0,0|1,0,0]=3 1843 B10R1.22 CC1=CC(C)=C(N)C(Br)=N1 2281 [1,1,0,0,0,0|2,0,0]=4 1844 B10R1.22 CC1=CC(C)=C(N)C(C)=C1 28340 [1,1,0,0,0,0|1,0,0]=3 1845 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 21744 [1,1,0,0,0,0|0,0,0]=2 1846 B10R1.22 CC1=CC(C)=[N+](F)C(C)=C1 17423 [1,1,0,0,0,0|2,0,0]=4 1847 B10R1.22 CC1=CC(Cl)=C(N)C(Cl)=C1 28301 [1,1,0,0,0,0|2,0,0]=4 1848 B10R1.22 CC1=CC(Cl)=CC(Br)=C1N 5267 [1,1,0,0,0,0|2,0,0]=4 1849 B10R1.22 CC1=CC(Cl)=CC(Br)=C1O 33512 [1,1,0,0,0,0|1,0,0]=3 1850 B10R1.22 CC1=CC(Cl)=CC(C)=C1Br 27427 [1,1,0,0,0,0|2,0,0]=4 1851 B10R1.22 CC1=CC(Cl)=CC(C)=C1I 34869 [1,1,0,0,0,0|2,0,0]=4 1852 B10R1.22 CC1=CC(Cl)=CC(C)=C1N 28288 [1,1,0,0,0,0|2,0,0]=4 1853 B10R1.22 CC1=CC(F)=C(F)C(F)=C1 1630 [1,1,0,0,0,0|2,0,0]=4 1854 B10R1.22 CC1=CC(F)=C(N)C(F)=C1 26437 [1,1,0,0,0,0|2,0,0]=4 1855 B10R1.22 CC1=CC(F)=CC(Br)=C1N 2917 [1,1,0,0,0,0|2,0,0]=4 1856 B10R1.22 CC1=CC(F)=CC(C)=C1Br 28438 [1,1,0,0,0,0|2,0,0]=4 1857 B10R1.22 CC1=CC(F)=CC(C)=C1N 4426 [1,1,0,0,0,0|2,0,0]=4 1858 B10R1.22 CC1=CC(I)=CC(C)=C1N 28313 [1,1,0,0,0,0|2,0,0]=4 1859 B10R1.22 CC1=CC(I)=CC(I)=C1N 28311 [1,1,0,0,0,0|2,0,0]=4 1860 B10R1.22 CC1=CC(N)=C(C)C(Br)=C1 31084 [1,1,0,0,0,0|2,0,0]=4 1861 B10R1.22 CC1=CC(N)=C(N)C(C)=C1 28449 [1,1,0,0,0,0|1,0,0]=3 1862 B10R1.22 CC1=CC(N)=C(O)C(C)=C1 28342 [1,1,0,0,0,0|0,0,0]=2 1863 B10R1.22 CC1=CC(N)=CC(C)=C1Br 5308 [1,1,0,0,0,0|2,0,0]=4 1864 B10R1.22 CC1=CC(N)=CC(C)=C1C 22360 [1,1,0,0,0,0|2,0,0]=4 1865 B10R1.22 CC1=CC(N)=CC(C)=C1F 4446 [1,1,0,0,0,0|2,0,0]=4 1866 B10R1.22 CC1=CC(O)=C(C)C(C)=C1 2249 [1,1,0,0,0,0|1,0,0]=3 1867 B10R1.22 CC1=CC(O)=C(C)C(O)=C1 15387 [1,1,0,0,0,0|1,0,0]=3 1868 B10R1.22 CC1=CC(O)=CC(C)=C1Br 3767 [1,1,0,0,0,0|2,0,0]=4 1869 B10R1.22 CC1=CC(O)=CC(C)=C1Cl 19739 [1,1,0,0,0,0|2,0,0]=4 1870 B10R1.22 CC1=CC(O)=CC(C)=C1F 27040 [1,1,0,0,0,0|2,0,0]=4 1871 B10R1.22 CC1=CC(O)=CC(C)=C1I 19272 [1,1,0,0,0,0|2,0,0]=4 1872 B10R1.22 CC1=CC(O)=CC(C)=C1N 36291 [1,1,0,0,0,0|2,0,0]=4 1873 B10R1.22 CC1=CC(O)=CC(O)=C1C 15388 [1,1,0,0,0,0|2,0,0]=4 1874 B10R1.22 Cc1cc(Br)cc(C)c1I 27449 [1,1,0,0,0,0|2,0,0]=4 1875 B10R1.22 Cc1cc(N)cc(C)c1Cl 31072 [1,1,0,0,0,0|2,0,0]=4 1876 B10R1.22 NC1=C(O)C(Br)=CC(Br)=C1 26339 [1,1,0,0,0,0|2,0,0]=4 1877 B10R1.22 NC1=C(O)C(Cl)=CC(Cl)=C1 26016 [1,1,0,0,0,0|2,0,0]=4 1878 B10R1.22 NC1=C(O)C(F)=CC(Br)=C1 27434 [1,1,0,0,0,0|2,0,0]=4 1879 B10R1.22 NC1=C(O)C(F)=CC(F)=C1 3540 [1,1,0,0,0,0|2,0,0]=4 1880 B10R1.22 NC1=C(O)C=C(F)C=C1F 3538 [1,1,0,0,0,0|2,0,0]=4 1881 B10R1.22 NC1=CC(Br)=C(O)C(Br)=C1 3721 [1,1,0,0,0,0|2,0,0]=4 1882 B10R1.22 NC1=CC(Cl)=C(O)C(Cl)=C1 30305 [1,1,0,0,0,0|2,0,0]=4 1883 B10R1.22 NC1=CC(F)=C(O)C(F)=C1 3542 [1,1,0,0,0,0|2,0,0]=4 1884 B10R1.22 Nc1cc(F)c(O)c(F)c1 31098 [1,1,0,0,0,0|2,0,0]=4 1885 B10R1.22 OC1=C(Br)C(F)=CC(Cl)=C1 31129 [1,1,0,0,0,0|2,0,0]=4 1886 B10R1.22 OC1=C(Br)C(F)=CC(F)=C1 31116 [1,1,0,0,0,0|2,0,0]=4 1887 B10R1.22 OC1=C(Br)C=C(Br)C=C1F 2867 [1,1,0,0,0,0|2,0,0]=4 1888 B10R1.22 OC1=C(Br)C=C(Cl)C=C1Br 25577 [1,1,0,0,0,0|2,0,0]=4 1889 B10R1.22 OC1=C(Br)C=C(Cl)C=C1F 10171 [1,1,0,0,0,0|2,0,0]=4 1890 B10R1.22 OC1=C(Br)C=C(F)C=C1Br 2868 [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.22 OC1=C(Br)C=C(F)C=C1F 2836 [1,1,0,0,0,0|2,0,0]=4 1892 B10R1.22 OC1=C(Br)C=C(I)C=C1Br 33248 [1,1,0,0,0,0|2,0,0]=4 1893 B10R1.22 OC1=C(Cl)C(Cl)=CC(Cl)=C1 12940 [1,1,0,0,0,0|2,0,0]=4 1894 B10R1.22 OC1=C(Cl)C(F)=CC(F)=C1 28360 [1,1,0,0,0,0|2,0,0]=4 1895 B10R1.22 OC1=C(Cl)C=C(Br)C=C1Cl 3908 [1,1,0,0,0,0|2,0,0]=4 1896 B10R1.22 OC1=C(Cl)C=C(Br)C=C1F 2841 [1,1,0,0,0,0|2,0,0]=4 1897 B10R1.22 OC1=C(Cl)C=C(Cl)C=C1Cl 20578 [1,1,0,0,0,0|2,0,0]=4 1898 B10R1.22 OC1=C(Cl)C=C(F)C=C1Cl 2871 [1,1,0,0,0,0|2,0,0]=4 1899 B10R1.22 OC1=C(F)C(F)=CC(Br)=C1 2843 [1,1,0,0,0,0|2,0,0]=4 1900 B10R1.22 OC1=C(F)C(F)=CC(F)=C1 13374 [1,1,0,0,0,0|2,0,0]=4 1901 B10R1.22 OC1=C(F)C=C(Br)C=C1F 2839 [1,1,0,0,0,0|2,0,0]=4 1902 B10R1.22 OC1=C(F)C=C(Cl)C=C1F 22725 [1,1,0,0,0,0|2,0,0]=4 1903 B10R1.22 OC1=C(F)C=C(F)C=C1F 2317 [1,1,0,0,0,0|2,0,0]=4 1904 B10R1.22 OC1=CC(Cl)=CC(F)=C1O 17136 [1,1,0,0,0,0|1,0,0]=3 1905 B10R1.22 OC1=CC(F)=CC(F)=C1O 33436 [1,1,0,0,0,0|1,0,0]=3 1906 B10R1.118 CC1=C(Br)C=C(Br)C(Br)=C1 28984 [1,1,0,0,0,0|2,0,0]=4 1907 B10R1.118 CC1=C(Br)C=C(F)C(F)=C1 31553 [1,1,0,0,0,0|2,0,0]=4 1908 B10R1.118 CC1=C(Cl)C=C(Br)C(F)=C1 8496 [1,1,0,0,0,0|2,0,0]=4 1909 B10R1.118 CC1=C(Cl)C=C(F)C(F)=C1 29099 [1,1,0,0,0,0|2,0,0]=4 1910 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 22761 [1,1,0,0,0,0|2,0,0]=4 1911 B10R1.118 CC1=C(F)C=C(Br)C(Br)=C1 10411 [1,1,0,0,0,0|2,0,0]=4 1912 B10R1.118 CC1=C(F)C=C(Br)C(Cl)=C1 2266 [1,1,0,0,0,0|2,0,0]=4 1913 B10R1.118 CC1=C(F)C=C(Br)C(F)=C1 31574 [1,1,0,0,0,0|2,0,0]=4 1914 B10R1.118 CC1=C(F)C=C(Br)C(I)=C1 3235 [1,1,0,0,0,0|2,0,0]=4 1915 B10R1.118 CC1=C(F)C=C(Cl)C(Br)=C1 8497 [1,1,0,0,0,0|2,0,0]=4 1916 B10R1.118 CC1=C(F)C=C(F)C(Br)=C1 26656 [1,1,0,0,0,0|2,0,0]=4 1917 B10R1.118 CC1=C(F)C=C(F)C(F)=C1 9128 [1,1,0,0,0,0|2,0,0]=4 1918 B10R1.118 CC1=C(I)C=C(Br)C(F)=C1 10409 [1,1,0,0,0,0|2,0,0]=4 1919 B10R1.118 CC1=C(I)C=C(F)C(Br)=C1 32217 [1,1,0,0,0,0|2,0,0]=4 1920 B10R1.118 CC1=C(N)C=C(Br)C(F)=C1 2934 [1,1,0,0,0,0|2,0,0]=4 1921 B10R1.118 CC1=C(N)C=C(Cl)C(Br)=C1 31020 [1,1,0,0,0,0|2,0,0]=4 1922 B10R1.118 CC1=C(N)C=C(F)C(Br)=C1 19868 [1,1,0,0,0,0|2,0,0]=4 1923 B10R1.118 CC1=C(N)C=C(F)C(F)=C1 25296 [1,1,0,0,0,0|2,0,0]=4 1924 B10R1.118 CC1=C(O)C=C(F)C(F)=C1 28376 [1,1,0,0,0,0|1,0,0]=3 1925 B10R1.118 CC1=C(O)C=C(N)C(Cl)=C1 10462 [1,1,0,0,0,0|1,0,0]=3 1926 B10R1.118 CC1=C(O)C=C(N)C(F)=C1 2833 [1,1,0,0,0,0|1,0,0]=3 1927 B10R1.118 CC1=CC(Br)=C(C)C=C1Br 14829 [1,1,0,0,0,0|2,0,0]=4 1928 B10R1.118 CC1=CC(Br)=C(C)C=C1Cl 14786 [1,1,0,0,0,0|2,0,0]=4 1929 B10R1.118 CC1=CC(Br)=C(C)C=C1F 26023 [1,1,0,0,0,0|2,0,0]=4 1930 B10R1.118 CC1=CC(Br)=C(C)C=C1I 26451 [1,1,0,0,0,0|2,0,0]=4 1931 B10R1.118 CC1=CC(Br)=C(N)C=C1F 2919 [1,1,0,0,0,0|2,0,0]=4 1932 B10R1.118 CC1=CC(C)=C(Br)C=C1Br 28455 [1,1,0,0,0,0|1,0,0]=3 1933 B10R1.118 CC1=CC(C)=C(N)C=C1Br 13732 [1,1,0,0,0,0|1,0,0]=3 1934 B10R1.118 CC1=CC(F)=C(Br)C=C1F 23843 [1,1,0,0,0,0|2,0,0]=4 1935 B10R1.118 CC1=CC(F)=C(N)C=C1Br 31067 [1,1,0,0,0,0|2,0,0]=4 1936 B10R1.118 CC1=CC(F)=C(N)C=C1F 10406 [1,1,0,0,0,0|2,0,0]=4 1937 B10R1.118 CC1=CC(N)=C(Br)C=C1F 25324 [1,1,0,0,0,0|2,0,0]=4 1938 B10R1.118 CC1=CC(N)=C(C)C=C1Br 5309 [1,1,0,0,0,0|2,0,0]=4 1939 B10R1.118 CC1=CC(N)=C(C)C=C1N 20583 [1,1,0,0,0,0|2,0,0]=4 1940 B10R1.118 CC1=CC(N)=C(Cl)C=C1C 28287 [1,1,0,0,0,0|2,0,0]=4 1941 B10R1.118 CC1=CC(N)=C(Cl)C=C1Cl 31068 [1,1,0,0,0,0|2,0,0]=4 1942 B10R1.118 CC1=CC(N)=C(Cl)C=C1F 2942 [1,1,0,0,0,0|2,0,0]=4 1943 B10R1.118 CC1=CC(N)=C(Cl)C=C1N 20584 [1,1,0,0,0,0|2,0,0]=4 1944 B10R1.118 CC1=CC(N)=C(F)C=C1Br 2556 [1,1,0,0,0,0|2,0,0]=4 1945 B10R1.118 CC1=CC(N)=C(F)C=C1Cl 2966 [1,1,0,0,0,0|2,0,0]=4 1946 B10R1.118 CC1=CC(N)=C(I)C=C1F 28319 [1,1,0,0,0,0|2,0,0]=4 1947 B10R1.118 CC1=CC(N)=C(N)C=C1C 28450 [1,1,0,0,0,0|2,0,0]=4 1948 B10R1.118 CC1=CC(O)=C(Br)C=C1F 28989 [1,1,0,0,0,0|1,0,0]=3 1949 B10R1.118 CC1=CC(O)=C(C)C=C1Br 22696 [1,1,0,0,0,0|1,0,0]=3 1950 B10R1.118 CC1=CC(O)=C(C)C=C1I 31101 [1,1,0,0,0,0|1,0,0]=3 1951 B10R1.118 CC1=CC(O)=C(Cl)C=C1Cl 31109 [1,1,0,0,0,0|1,0,0]=3 1952 B10R1.118 CC1=CC(O)=C(Cl)C=C1N 26173 [1,1,0,0,0,0|1,0,0]=3 1953 B10R1.118 CC1=CC(S)=C(Cl)C=C1Cl 28394 [1,1,0,0,0,0|1,1,0]=4 1954 B10R1.118 Cc1cc(C)c(F)cc1C 28496 [1,1,0,0,0,0|1,0,0]=3 1955 B10R1.118 NC1=C(O)C=C(F)C(F)=C1 3539 [1,1,0,0,0,0|2,0,0]=4 1956 B10R1.118 NC1=CC(Cl)=C(O)C=C1Cl 18137 [1,1,0,0,0,0|2,0,0]=4 1957 B10R1.118 NC1=CC(F)=C(O)C=C1F 2830 [1,1,0,0,0,0|2,0,0]=4 1958 B10R1.118 NC1=CC(N)=C(O)C=C1O 20873 [1,1,0,0,0,0|2,0,0]=4 1959 B10R1.118 NC1=CC(O)=C(Cl)C=C1Cl 26017 [1,1,0,0,0,0|2,0,0]=4 1960 B10R1.118 NC1=CC(O)=C(Cl)C=C1F 4516 [1,1,0,0,0,0|2,0,0]=4 1961 B10R1.118 NC1=CC(O)=C(F)C=C1F 35633 [1,1,0,0,0,0|2,0,0]=4 1962 B10R1.118 OC1=C(Br)C=C(F)C(F)=C1 2835 [1,1,0,0,0,0|2,0,0]=4 1963 B10R1.118 OC1=C(Cl)C=C(Br)C(Cl)=C1 14262 [1,1,0,0,0,0|2,0,0]=4 1964 B10R1.118 OC1=C(Cl)C=C(Cl)C(Br)=C1 34311 [1,1,0,0,0,0|2,0,0]=4 1965 B10R1.118 OC1=C(Cl)C=C(Cl)C(Cl)=C1 12933 [1,1,0,0,0,0|2,0,0]=4 1966 B10R1.118 OC1=C(Cl)C=C(F)C(Br)=C1 12640 [1,1,0,0,0,0|2,0,0]=4 1967 B10R1.118 OC1=C(F)C=C(F)C(Br)=C1 32219 [1,1,0,0,0,0|2,0,0]=4 1968 B10R1.118 OC1=C(F)C=C(I)C(Br)=C1 4131 [1,1,0,0,0,0|2,0,0]=4 1969 B10R1.118 OC1=CC(F)=C(F)C=C1O 23756 [1,1,0,0,0,0|1,0,0]=3 1970 B10R1.119 CC1=C(Br)C(C)=C(N)C=C1 28277 [1,1,0,0,0,0|1,0,0]=3 1971 B10R1.119 CC1=C(Br)C=CC(Br)=C1C 26460 [1,1,0,0,0,0|2,0,0]=4 1972 B10R1.119 CC1=C(C)C(C)=C(C)C=C1 35125 [1,1,0,0,0,0|1,0,0]=3 1973 B10R1.119 CC1=C(Cl)C(Br)=CC=C1F 4514 [1,1,0,0,0,0|2,0,0]=4 1974 B10R1.119 CC1=C(Cl)C(C)=C(N)C=C1 31081 [1,1,0,0,0,0|1,0,0]=3 1975 B10R1.119 CC1=C(Cl)C(F)=C(Br)C=C1 26423 [1,1,0,0,0,0|2,0,0]=4 1976 B10R1.119 CC1=C(Cl)C=CC(N)=C1Cl 28300 [1,1,0,0,0,0|2,0,0]=4 1977 B10R1.119 CC1=C(F)C(Br)=CC=C1F 31577 [1,1,0,0,0,0|2,0,0]=4 1978 B10R1.119 CC1=C(F)C(F)=C(F)C=C1 1628 [1,1,0,0,0,0|2,0,0]=4 1979 B10R1.119 CC1=C(F)C(F)=C(I)C=C1 23842 [1,1,0,0,0,0|2,0,0]=4 1980 B10R1.119 CC1=C(F)C(F)=CC=C1Br 35508 [1,1,0,0,0,0|2,0,0]=4 1981 B10R1.119 CC1=C(F)C=CC(Br)=C1C 27465 [1,1,0,0,0,0|2,0,0]=4 1982 B10R1.119 CC1=C(F)C=CC(N)=C1Cl 28289 [1,1,0,0,0,0|2,0,0]=4 1983 B10R1.119 CC1=C(F)C=CC(N)=C1N 31063 [1,1,0,0,0,0|2,0,0]=4 1984 B10R1.119 CC1=C(F)C=CC(N)=C1N 4361 [1,1,0,0,0,0|2,0,0]=4 1985 B10R1.119 CC1=C(N)C(Cl)=CC=C1Cl 31070 [1,1,0,0,0,0|2,0,0]=4 1986 B10R1.119 CC1=C(N)C=CC(F)=C1C 28312 [1,1,0,0,0,0|2,0,0]=4 1987 B10R1.119 CC1=C(N)C=CC(F)=C1F 10408 [1,1,0,0,0,0|2,0,0]=4 1988 B10R1.119 CC1=C(O)C(=O)C=CN1C 32070 [1,1,0,0,0,0|1,0,1]=4 1989 B10R1.119 CC1=C(O)C=CC(F)=C1C 4117 [1,1,0,0,0,0|1,0,0]=3 1990 B10R1.119 CC1=C(O)C=CC(I)=C1C 31105 [1,1,0,0,0,0|1,0,0]=3 1991 B10R1.119 CC1=C(O)C=CC(O)=C1C 10571 [1,1,0,0,0,0|1,0,0]=3 1992 B10R1.119 CC1=C(S)C=CC(Br)=C1F 28393 [1,1,0,0,0,0|1,1,0]=4 1993 B10R1.119 CC1=CC=C(Br)C(C)=C1N 28278 [1,1,0,0,0,0|1,0,0]=3 1994 B10R1.119 CC1=CC=C(Br)C(O)=C1Br 33832 [1,1,0,0,0,0|1,0,0]=3 1995 B10R1.119 CC1=CC=C(C)C(O)=C1C 24006 [1,1,0,0,0,0|1,0,0]=3 1996 B10R1.119 CC1=CC=C(Cl)C(Cl)=C1N 34293 [1,1,0,0,0,0|2,0,0]=4 1997 B10R1.119 CC1=CC=C(I)C(C)=C1N 23964 [1,1,0,0,0,0|1,0,0]=3 1998 B10R1.119 CC1=CC=C(N)C(Cl)=C1O 1479 [1,1,0,0,0,0|2,0,0]=4 1999 B10R1.119 CC1=CN=C(N)C(O)=C1Br 5599 [1,1,0,0,0,0|2,0,0]=4 2000 B10R1.119 CC1=CN=C(N)C(O)=C1C 5594 [1,1,0,0,0,0|2,0,0]=4 2001 B10R1.119 CC1=CN=C(N)C(O)=C1Cl 5609 [1,1,0,0,0,0|2,0,0]=4 2002 B10R1.119 CC1=CN=C(N)C(O)=C1F 5615 [1,1,0,0,0,0|2,0,0]=4 2003 B10R1.119 Cc1c(Cl)ccc(Cl)c1Cl 31552 [1,1,0,0,0,0|2,0,0]=4 2004 B10R1.119 NC1=C(Cl)C=CC(O)=C1Cl 2106 [1,1,0,0,0,0|2,0,0]=4 2005 B10R1.119 NC1=C(F)C(Cl)=C(O)C=C1 9616 [1,1,0,0,0,0|2,0,0]=4 2006 B10R1.119 NC1=C(F)C(F)=C(O)C=C1 3541 [1,1,0,0,0,0|2,0,0]=4 2007 B10R1.119 NC1=CC=C(F)C(F)=C1O 3544 [1,1,0,0,0,0|2,0,0]=4 2008 B10R1.119 OC1=C(Br)C(Br)=C(O)C=C1 11889 [1,1,0,0,0,0|2,0,0]=4 2009 B10R1.119 OC1=C(Br)C(Br)=CC=C1Br 33833 [1,1,0,0,0,0|2,0,0]=4 2010 B10R1.119 OC1=C(Br)C(Cl)=CC=C1Br 33836 [1,1,0,0,0,0|2,0,0]=4 2011 B10R1.119 OC1=C(Br)C(Cl)=CC=C1Cl 33837 [1,1,0,0,0,0|2,0,0]=4 2012 B10R1.119 OC1=C(Cl)C(Cl)=CC=C1Cl 12938 [1,1,0,0,0,0|2,0,0]=4 2013 B10R1.119 OC1=C(Cl)C(F)=C(Br)C=C1 28351 [1,1,0,0,0,0|2,0,0]=4 2014 B10R1.119 OC1=C(Cl)C(F)=CC=C1F 2845 [1,1,0,0,0,0|2,0,0]=4 2015 B10R1.119 OC1=C(F)C(Br)=CC=C1Cl 34814 [1,1,0,0,0,0|2,0,0]=4 2016 B10R1.119 OC1=C(F)C(Cl)=CC=C1F 2854 [1,1,0,0,0,0|2,0,0]=4 2017 B10R1.119 OC1=C(F)C(F)=C(Br)C=C1 2477 [1,1,0,0,0,0|2,0,0]=4 2018 B10R1.119 OC1=C(F)C(F)=C(F)C=C1 4156 [1,1,0,0,0,0|2,0,0]=4 2019 B10R1.119 OC1=C(F)C(F)=C(I)C=C1 28375 [1,1,0,0,0,0|2,0,0]=4 2020 B10R1.119 OC1=C(F)C(F)=C(O)C=C1 13770 [1,1,0,0,0,0|2,0,0]=4 2021 B10R1.119 OC1=C(F)C(F)=CC=C1Br 33835 [1,1,0,0,0,0|2,0,0]=4 2022 B10R1.119 OC1=C(F)C(F)=CC=C1F 1504 [1,1,0,0,0,0|2,0,0]=4 2023 B10R1.119 OC1=C(F)C(O)=C(F)C=C1 25122 [1,1,0,0,0,0|2,0,0]=4 2024 B12R1.234 COC1=CC(Cl)=CC(F)=C1C=O 28126 [0,2,0,0,0,0|1,0,1]=4 2025 B12R1.234 COC1=CC(F)=CC(F)=C1C#N 30817 [0,2,0,0,0,0|2,0,0]=4 2026 B12R1.234 COC1=CC(F)=CC(F)=C1C=O 30946 [0,2,0,0,0,0|1,0,1]=4 2027 B12R1.235 COC1=CC(=O)C=C(OC)C1=O 35780 [0,2,0,0,0,0|1,0,1]=4 2028 B12R1.235 COC1=CC(O)=CC(OC)=C1O 3024 [0,2,0,0,0,0|1,0,0]=3 2029 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 8197 [0,2,0,0,0,0|0,0,1]=3 2030 B12R1.300 COC1=CC(C=O)=CC(F)=C1F 30893 [0,2,0,0,0,0|1,0,1]=4 2031 B12R1.300 COC1=CC(C=O)=CC(F)=C1O 10464 [0,2,0,0,0,0|0,0,1]=3 2032 B12R1.300 COC1=CC(C=O)=CC(O)=C1O 8233 [0,2,0,0,0,0|0,0,1]=3 2033 B12R1.300 COC1=CC(F)=C(Br)C(OC)=C1 3038 [0,2,0,0,0,0|1,0,0]=3 2034 B12R1.300 COC1=CC(N)=C(F)C(OC)=C1 28318 [0,2,0,0,0,0|1,0,0]=3 2035 B12R1.511 CC(=O)C1=C(N)C(C)=CC(C)=C1 29250 [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.511 CC(=O)C1=C(O)C(F)=CC(F)=C1 29145 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.511 CC1=CC(C)=C(O)C([N+](=O)[O-])=C1 28381 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.705 COC1=C(F)C(F)=CC(F)=C1F 10114 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.705 COC1=C(F)C(F)=CC(N)=C1F 10072 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.46 CC1=CC([N+](=O)[O-])=C(CO)C=C1 31321 [0,2,0,0,0,0|2,0,0]=4 2041 B12R1.46 COC1=C(B(O)O)C=C(C)C=C1 23333 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 29263 [0,2,0,0,0,0|2,0,0]=4 2043 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 35096 [0,2,0,0,0,0|2,0,0]=4 2044 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 33633 [0,2,0,0,0,0|2,0,0]=4 2045 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 29154 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 44855 [0,2,0,0,0,0|1,0,0]=3 2047 B12R1.46 COC1=C([N+](=O)[O-])C=C(C)C=C1 13079 [0,2,0,0,0,0|2,0,0]=4 2048 B12R1.57 CC1=CC(C#N)=C(C(=O)O)C=C1 30634 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.57 COC1=C(B(O)O)C=CC(C)=C1 33213 [0,2,0,0,0,0|0,0,0]=2 2050 B12R1.57 COC1=C(B(O)O)C=CC(Cl)=C1 29629 [0,2,0,0,0,0|1,0,0]=3 2051 B12R1.57 COC1=C(B(O)O)C=CC(F)=C1 19716 [0,2,0,0,0,0|1,0,0]=3 2052 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 20561 [0,2,0,0,0,0|1,0,0]=3 2053 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 30703 [0,2,0,0,0,0|0,0,0]=2 2054 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 24655 [0,2,0,0,0,0|1,0,0]=3 2055 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 32487 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 4969 [0,2,0,0,0,0|1,0,0]=3 2057 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 27962 [0,2,0,0,0,0|2,0,0]=4 2058 B12R1.57 COC1=C(C(=O)O)C=CC(N)=C1 4934 [0,2,0,0,0,0|1,0,0]=3 2059 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 27704 [0,2,0,0,0,0|1,0,0]=3 2060 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 31217 [0,2,0,0,0,0|1,0,1]=4 2061 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 13459 [0,2,0,0,0,0|1,0,1]=4 2062 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 31215 [0,2,0,0,0,0|1,0,1]=4 2063 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Br)=C1 28358 [0,2,0,0,0,0|1,0,1]=4 2064 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 21674 [0,2,0,0,0,0|1,0,1]=4 2065 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 4104 [0,2,0,0,0,0|1,0,1]=4 2066 B12R1.57 COC1=C([N+](=O)[O-])C=CC(F)=C1 4140 [0,2,0,0,0,0|1,0,1]=4 2067 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 23901 [0,2,0,0,0,0|1,0,1]=4 2068 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 19798 [0,2,0,0,0,0|1,0,1]=4 2069 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O 18814 [0,2,0,0,0,0|2,0,0]=4 2070 B12R1.57 COC1=NC(C)=CC=C1[N+](=O)[O-] 6592 [0,2,0,0,0,0|1,0,1]=4 2071 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] 26673 [0,2,0,0,0,0|0,0,1]=3 2072 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 19824 [0,2,0,0,0,0|0,0,1]=3 2073 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3047 [0,2,0,0,0,0|1,0,0]=3 2074 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 3046 [0,2,0,0,0,0|0,0,0]=2 2075 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 17019 [0,2,0,0,0,0|0,0,2]=4 2076 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 8124 [0,2,0,0,0,0|0,0,1]=3 2077 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 8238 [0,2,0,0,0,0|0,0,1]=3 2078 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 13181 [0,2,0,0,0,0|0,0,0]=2 2079 B12R1.78 COC1=C(OC)C=C(CN)C=C1 7394 [0,2,0,0,0,0|0,0,0]=2 2080 B12R1.78 COC1=C(OC)C=C(CO)C=C1 7452 [0,2,0,0,0,0|0,0,0]=2 2081 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 13109 [0,2,0,0,0,0|2,0,0]=4 2082 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 2176 [0,2,0,0,0,0|2,0,0]=4 2083 B12R1.78 COC1=CC(CN)=C(OC)C=C1 7396 [0,2,0,0,0,0|2,0,0]=4 2084 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 13105 [0,2,0,0,0,0|1,0,0]=3 2085 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 8220 [0,2,0,0,0,0|0,0,1]=3 2086 B12R1.78 COC1=CC(OC)=C(CCl)C=C1 27178 [0,2,0,0,0,0|1,0,0]=3 2087 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7397 [0,2,0,0,0,0|1,0,0]=3 2088 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7398 [0,2,0,0,0,0|1,0,0]=3 2089 B12R1.78 COC1=CC(OC)=C(CO)C=C1 7454 [0,2,0,0,0,0|0,0,0]=2 2090 B12R1.78 COC1=CC=C(C=O)C(OC)=N1 5105 [0,2,0,0,0,0|1,0,1]=4 2091 B12R1.112 COC1=C(CC#N)C=CC(Br)=C1 31434 [0,2,0,0,0,0|2,0,0]=4 2092 B12R1.268 CCOC1=C(C#N)C=CC(Br)=C1 25387 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.448 COC1=C(C#N)C=C(F)C(F)=C1 4767 [0,2,0,0,0,0|2,0,0]=4 2094 B12R1.448 COC1=C(C=O)C=C(F)C(F)=C1 28412 [0,2,0,0,0,0|1,0,1]=4 2095 B12R1.448 COC1=C(OC)C=C(Br)C(F)=C1 31170 [0,2,0,0,0,0|1,0,0]=3 2096 B12R1.448 COC1=CC(C)=C(Br)C=C1OC 26172 [0,2,0,0,0,0|0,0,0]=2 2097 B12R1.448 COC1=CC(C)=C(N)C=C1OC 4424 [0,2,0,0,0,0|0,0,0]=2 2098 B12R1.448 COC1=CC(F)=C(F)C=C1OC 3039 [0,2,0,0,0,0|1,0,0]=3 2099 B12R1.654 CCC1=CC=C(Cl)C(CC)=C1N 3201 [0,2,0,0,0,0|2,0,0]=4 2100 B12R1.654 COC1=C(Br)C=CC(C#N)=C1F 30824 [0,2,0,0,0,0|1,0,1]=4 2101 B12R1.654 COC1=C(C)C(CCl)=NC=C1C 20754 [0,2,0,0,0,0|2,0,0]=4 2102 B12R1.654 COC1=C(C)C(CCl)=NC=C1C 2236 [0,2,0,0,0,0|2,0,0]=4 2103 B12R1.654 COC1=C(C)C(CO)=NC=C1C 20757 [0,2,0,0,0,0|2,0,0]=4 2104 B12R1.654 COC1=C(F)C(OC)=C(N)C=C1 10109 [0,2,0,0,0,0|1,0,0]=3 2105 B12R1.654 COC1=C(F)C=CC(C#N)=C1F 4765 [0,2,0,0,0,0|1,0,1]=4 2106 B12R1.654 COC1=C(F)C=CC(C=O)=C1F 25895 [0,2,0,0,0,0|1,0,1]=4 2107 B12R1.741 COC1=C(C=O)C(F)=CC=C1F 30895 [0,2,0,0,0,0|2,0,0]=4 2108 B12R1.741 COC1=C(CO)C(Cl)=CC=C1Cl 27461 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.894 CC(=O)C1=C(Cl)C(C)=CC=C1F 7113 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.894 CC(=O)C1=C(F)C(C)=CC=C1Cl 7114 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.128 CC(C)(C)C1=C(O)C=CC(Br)=C1 33681 [0,2,0,0,0,0|2,0,0]=4 2112 B12R1.128 CC(C)(C)C1=C(O)C=CC(O)=C1 14585 [0,2,0,0,0,0|2,0,0]=4 2113 B12R1.128 CC1=CC(C(C)(C)C)=C(N)C=C1 27682 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.128 CC1=CC(C(C)(C)C)=C(O)C=C1 35418 [0,2,0,0,0,0|1,0,0]=3 2115 B12R1.232 CC(=O)C1=C(O)C=C(C)C(C)=C1 29281 [0,2,0,0,0,0|1,0,0]=3 2116 B12R1.232 CC(=O)C1=C(O)C=C(F)C(F)=C1 29146 [0,2,0,0,0,0|2,0,0]=4 2117 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1Br 19801 [0,2,0,0,0,0|2,0,0]=4 2118 B12R1.354 COC(=O)C1=C(Br)C=CC(Br)=C1 3972 [0,2,0,0,0,0|2,0,0]=4 2119 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=C1 30710 [0,2,0,0,0,0|1,0,0]=3 2120 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 11238 [0,2,0,0,0,0|2,0,0]=4 2121 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 28559 [0,2,0,0,0,0|2,0,0]=4 2122 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 29426 [0,2,0,0,0,0|2,0,0]=4 2123 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 10936 [0,2,0,0,0,0|2,0,0]=4 2124 B12R1.354 COC(=O)C1=C(C)C=CC(Cl)=C1 30530 [0,2,0,0,0,0|2,0,0]=4 2125 B12R1.354 COC(=O)C1=C(C)C=CC(F)=C1 28656 [0,2,0,0,0,0|2,0,0]=4 2126 B12R1.354 COC(=O)C1=C(C)C=CC(I)=C1 28677 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 28670 [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=C1 28547 [0,2,0,0,0,0|2,0,0]=4 2129 B12R1.354 COC(=O)C1=C(Cl)C=CC(C)=C1 30581 [0,2,0,0,0,0|1,0,0]=3 2130 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=C1 3714 [0,2,0,0,0,0|2,0,0]=4 2131 B12R1.354 COC(=O)C1=C(Cl)C=CC(O)=C1 30711 [0,2,0,0,0,0|2,0,0]=4 2132 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=C1 28565 [0,2,0,0,0,0|2,0,0]=4 2133 B12R1.354 COC(=O)C1=C(F)C=CC(I)=C1 28645 [0,2,0,0,0,0|2,0,0]=4 2134 B12R1.354 COC(=O)C1=C(F)C=CC(O)=C1 28640 [0,2,0,0,0,0|2,0,0]=4 2135 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 26364 [0,2,0,0,0,0|2,0,0]=4 2136 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 3344 [0,2,0,0,0,0|2,0,0]=4 2137 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 3346 [0,2,0,0,0,0|2,0,0]=4 2138 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 3558 [0,2,0,0,0,0|2,0,0]=4 2139 B12R1.354 COC(=O)C1=C(N)C=CC(I)=C1 3354 [0,2,0,0,0,0|2,0,0]=4 2140 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 19740 [0,2,0,0,0,0|1,0,0]=3 2141 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 30490 [0,2,0,0,0,0|1,0,0]=3 2142 B12R1.354 COC(=O)C1=C(O)C=CC(F)=C1 4087 [0,2,0,0,0,0|1,0,0]=3 2143 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 26394 [0,2,0,0,0,0|1,0,0]=3 2144 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1O 23616 [0,2,0,0,0,0|2,0,0]=4 2145 B12R1.453 CCC1=CC(B(O)O)=C(O)C=C1 33196 [0,2,0,0,0,0|2,0,0]=4 2146 B12R1.453 CCC1=CC([N+](=O)[O-])=C(O)C=C1 27788 [0,2,0,0,0,0|2,0,0]=4 2147 B12R1.453 COC1=CC(B(O)O)=C(O)C=C1 32860 [0,2,0,0,0,0|2,0,0]=4 2148 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 13248 [0,2,0,0,0,0|1,0,0]=3 2149 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 26583 [0,2,0,0,0,0|1,0,0]=3 2150 B12R1.453 COC1=CC([N+](=O)[O-])=C(O)C=C1 16829 [0,2,0,0,0,0|2,0,0]=4 2151 B12R1.453 O=[N+]([O-])C1=C(O)C=CC(CO)=C1 22917 [0,2,0,0,0,0|2,0,0]=4 2152 B12R1.127 CC(=O)NC1=C(O)C=CC(C)=C1 2366 [0,2,0,0,0,0|1,0,0]=3 2153 B12R1.127 CC1=CC(CC(C)C)=C(Br)C=C1 35270 [0,2,0,0,0,0|2,0,0]=4 2154 B12R1.127 FC1=C(OC(F)F)C=C(Br)C=C1 31144 [0,2,0,0,0,0|2,0,0]=4 2155 B12R1.127 FC1=CC(OC(F)F)=C(Br)C=C1 31135 [0,2,0,0,0,0|2,0,0]=4 2156 B12R1.270 CCOC1=C(Br)C=CC(C#N)=C1 7753 [0,2,0,0,0,0|1,0,1]=4 2157 B12R1.270 CCOC1=C(Cl)C=CC(C#N)=C1 8001 [0,2,0,0,0,0|1,0,1]=4 2158 B12R1.449 CCC1=CC(OC)=C(O)C=C1F 26368 [0,2,0,0,0,0|0,0,0]=2 2159 B12R1.449 COC1=NC(OC)=C(N)C=C1N 20874 [0,2,0,0,0,0|2,0,0]=4 2160 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O 21946 [0,2,0,0,0,0|1,0,0]=3 2161 B12R1.450 COC1=CC(Br)=C(OC)C=C1Br 16840 [0,2,0,0,0,0|2,0,0]=4 2162 B12R1.450 COC1=CC(C)=C(C=O)C=C1C 4208 [0,2,0,0,0,0|1,0,0]=3 2163 B12R1.450 COC1=CC(F)=C(C#N)C=C1F 30813 [0,2,0,0,0,0|2,0,0]=4 2164 B12R1.450 COC1=CC(F)=C(C=O)C=C1F 17005 [0,2,0,0,0,0|2,0,0]=4 2165 B12R1.450 COC1=CC(F)=C(OC)C=C1F 3040 [0,2,0,0,0,0|2,0,0]=4 2166 B12R1.450 COC1=CC(N)=C(C#N)C=C1Cl 30829 [0,2,0,0,0,0|2,0,0]=4 2167 B12R1.450 COC1=CC(N)=C(OC)C=C1Cl 4366 [0,2,0,0,0,0|2,0,0]=4 2168 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 24786 [0,2,0,0,0,0|1,0,1]=4 2169 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 2536 [0,2,0,0,0,0|2,0,0]=4 2170 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 5130 [0,2,0,0,0,0|2,0,0]=4 2171 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 2672 [0,2,0,0,0,0|1,0,1]=4 2172 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 31231 [0,2,0,0,0,0|1,0,0]=3 2173 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 2628 [0,2,0,0,0,0|2,0,0]=4 2174 B12R1.56 COC1=C(Cl)C=CC(B(O)O)=C1 17400 [0,2,0,0,0,0|2,0,0]=4 2175 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [0,2,0,0,0,0|1,0,1]=4 2176 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 2625 [0,2,0,0,0,0|2,0,0]=4 2177 B12R1.56 COC1=C(F)C=CC(B(O)O)=C1 29618 [0,2,0,0,0,0|2,0,0]=4 2178 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 1394 [0,2,0,0,0,0|1,0,1]=4 2179 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 4234 [0,2,0,0,0,0|1,0,0]=3 2180 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 2668 [0,2,0,0,0,0|2,0,0]=4 2181 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 3131 [0,2,0,0,0,0|1,0,1]=4 2182 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 3332 [0,2,0,0,0,0|2,0,0]=4 2183 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 33662 [0,2,0,0,0,0|1,0,0]=3 2184 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [0,2,0,0,0,0|0,0,1]=3 2185 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 3315 [0,2,0,0,0,0|0,0,0]=2 2186 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 16519 [0,2,0,0,0,0|1,0,0]=3 2187 B12R1.56 COc1cc([N+](=O)[O-])ccc1F 1055 [0,2,0,0,0,0|2,0,0]=4 2188 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 12778 [0,2,0,0,0,0|1,0,0]=3 2189 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 14775 [0,2,0,0,0,0|0,0,0]=2 2190 B12R1.286 COC1=C(O)C=CC(CCN)=C1 34925 [0,2,0,0,0,0|0,0,0]=2 2191 B10R1.14 COC(=O)c1cnc(C)o1 23889 [0,0,1,1,0,0|2,0,0]=4 2192 B10R2.7 B1OC2=C(C=CC=C2)O1 18191 [1,0,0,1,0,0|1,0,0]=3 2193 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [1,0,0,1,0,0|1,0,1]=4 2194 B10R2.7 C1=CC2=C(C=C1)OC=N2 21884 [1,0,0,1,0,0|1,0,1]=4 2195 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|1,0,0]=3 2196 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|0,0,0]=2 2197 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|2,0,0]=4 2198 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|2,0,0]=4 2199 B12R2.246 CC1=CC2=C(OC=C2)C(Br)=C1 28014 [0,1,0,1,0,0|1,0,1]=4 2200 B12R2.246 FC1=CC2=C(OCC2)C(F)=C1 6928 [0,1,0,1,0,0|2,0,0]=4 2201 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 22676 [0,1,0,1,0,0|2,0,0]=4 2202 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 17444 [0,1,0,1,0,0|2,0,0]=4 2203 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 3736 [0,1,0,1,0,0|1,0,0]=3 2204 B12R2.24 BrC1=CC=C2CCCOC2=C1 34276 [0,1,0,1,0,0|2,0,0]=4 2205 B12R2.24 BrC1=CC=C2COCCC2=C1 27929 [0,1,0,1,0,0|2,0,0]=4 2206 B12R2.24 BrC1=CC=C2OCCCC2=C1 34593 [0,1,0,1,0,0|2,0,0]=4 2207 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 34210 [0,1,0,1,0,0|2,0,0]=4 2208 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 27891 [0,1,0,1,0,0|2,0,0]=4 2209 B12R2.24 NC1=CC2=C(C=C1)NCCO2 33680 [0,1,0,1,0,0|2,0,0]=4 2210 B12R2.24 NC1=CC2=C(C=C1)OCCO2 31954 [0,1,0,1,0,0|1,0,0]=3 2211 B12R2.24 NC1=CN=C2OCCOC2=C1 26743 [0,1,0,1,0,0|2,0,0]=4 2212 B12R2.24 OC1=CC2=C(C=C1)NCCO2 27735 [0,1,0,1,0,0|2,0,0]=4 2213 B12R2.24 OC1=CC2=C(C=C1)OCCN2 20876 [0,1,0,1,0,0|2,0,0]=4 2214 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [0,1,0,1,0,0|2,0,0]=4 2215 B12R2.24 OC1=CN=C2OCCOC2=C1 26747 [0,1,0,1,0,0|2,0,0]=4 2216 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 33811 [0,1,0,1,0,0|2,0,0]=4 2217 B12R2.132 CC1=CC2=C(C=C1)SC=C2C 15354 [0,1,0,1,0,0|1,1,0]=4 2218 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 8851 [0,1,0,1,0,0|2,0,0]=4 2219 B12R2.132 CC1=COC2=C1C=C(Br)C=C2 32473 [0,1,0,1,0,0|2,0,0]=4 2220 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 17377 [0,1,0,1,0,0|2,0,0]=4 2221 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18004 [0,1,0,1,0,0|2,0,0]=4 2222 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18005 [0,1,0,1,0,0|2,0,0]=4 2223 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 18003 [0,1,0,1,0,0|2,0,0]=4 2224 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,1,0,1,0,0|1,0,1]=4 2225 B12R2.612 NC1COC2=C1C=CC(Br)=C2 17825 [0,1,0,1,0,0|2,0,0]=4 2226 B12R2.612 NC1COC2=C1C=CC(Br)=C2 23149 [0,1,0,1,0,0|2,0,0]=4 2227 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 17998 [0,1,0,1,0,0|1,0,1]=4 2228 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 17996 [0,1,0,1,0,0|1,0,1]=4 2229 B12R2.612 O=C1COC2=C1C=CC(I)=C2 22336 [0,1,0,1,0,0|1,0,1]=4 2230 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [0,1,0,1,0,0|1,0,1]=4 2231 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 11268 [0,1,0,1,0,0|2,0,0]=4 2232 B12R2.82 NC1=C(Cl)C=CC2=C1OCO2 25865 [0,1,0,1,0,0|1,0,0]=3 2233 B12R2.221 CC1=C2C=CCC2=C(C)C=C1 5420 [0,1,0,1,0,0|2,0,0]=4 2234 B12R2.221 CC1=CC=C(Br)C2=C1C=CO2 32469 [0,1,0,1,0,0|1,0,1]=4 2235 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 7657 [0,1,0,1,0,0|2,0,0]=4 2236 B12R2.606 CC1=CC2=C(C=C1)N=C(C)S2 21826 [0,1,0,1,0,0|1,1,0]=4 2237 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 8640 [0,1,0,1,0,0|1,0,0]=3 2238 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 17701 [0,1,0,1,0,0|1,0,1]=4 2239 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 32466 [0,1,0,1,0,0|2,0,0]=4 2240 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 7330 [0,1,0,1,0,0|2,0,0]=4 2241 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 33482 [0,1,0,1,0,0|2,0,0]=4 2242 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 27581 [0,1,0,1,0,0|2,0,0]=4 2243 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 24256 [0,1,0,1,0,0|2,0,0]=4 2244 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 33471 [0,1,0,1,0,0|2,0,0]=4 2245 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 8645 [0,1,0,1,0,0|2,0,0]=4 2246 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 33731 [0,1,0,1,0,0|2,0,0]=4 2247 B12R2.44 COC1=CC2=C(C=CO2)C=C1 33547 [0,1,0,1,0,0|1,0,1]=4 2248 B12R2.44 COC1=CC=C2CCNC2=C1 20088 [0,1,0,1,0,0|2,0,0]=4 2249 B12R2.44 COC1=CC=C2CCNC2=C1 8317 [0,1,0,1,0,0|2,0,0]=4 2250 B12R2.44 COC1=CC=C2NCCC2=C1 8318 [0,1,0,1,0,0|2,0,0]=4 2251 B12R2.44 ClCC1=CC2=C(C=C1)OCC2 7796 [0,1,0,1,0,0|1,0,0]=3 2252 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 35833 [0,1,0,1,0,0|0,0,0]=2 2253 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 15358 [0,1,0,1,0,0|0,0,1]=3 2254 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 7027 [0,1,0,1,0,0|1,0,1]=4 2255 B12R2.44 NCC1=CC2=C(C=C1)OCC2 6985 [0,1,0,1,0,0|1,0,0]=3 2256 B12R2.44 NCC1=CC2=C(C=C1)OCO2 7387 [0,1,0,1,0,0|0,0,0]=2 2257 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 13007 [0,1,0,1,0,0|1,0,1]=4 2258 B12R2.44 OCC1=CC2=C(C=C1)CCO2 33826 [0,1,0,1,0,0|1,0,0]=3 2259 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 7026 [0,1,0,1,0,0|1,0,1]=4 2260 B12R2.44 OCC1=CC2=C(C=C1)OCC2 7802 [0,1,0,1,0,0|1,0,0]=3 2261 B12R2.44 OCC1=CC2=C(C=C1)OCO2 13179 [0,1,0,1,0,0|0,0,0]=2 2262 B8R1.1 COC1=CC=C(O)O1 22256 [1,0,0,0,1,0|2,0,0]=4 2263 B8R1.18 CC1=NN(C)C(O)=C1 8415 [1,0,0,0,1,0|2,0,0]=4