0 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 CC(=O)C1=C(N)C=CC=N1 17575 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 CC(=O)C1=CC=CN=C1Br 18013 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 CC(=O)C1=CC=CN=C1Cl 28803 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 CC(=O)C1=CC=CN=C1N 17315 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 CC1=C(B(O)O)C=CC=C1 24607 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.61 CC1=C(C(=O)O)C=CN=C1 17262 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 29254 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.61 CC1=CN=CC=C1[N+](=O)[O-] 28846 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] 18735 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.61 N=C(N)C1=CC=CC=C1Br 19996 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.61 N=C(N)C1=CC=CC=C1Cl 20015 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.61 N=C(N)C1=CC=CC=C1F 17984 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.61 NC(=O)C1=C(N)C=CC=N1 18868 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.61 NC(=O)C1=C(N)C=NC=C1 26244 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.61 NC(=O)C1=CN=CC=C1N 26283 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [0,0,0,0,0,0|1,1,0]=2 22 B10R1.61 NC1=C([N+](=O)[O-])N=CC=C1 27636 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.61 NC1=CC=CN=C1C(=O)O 17022 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.61 NC1=CC=NC=C1C(=O)O 16977 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.61 NC1=CC=NC=C1[N+](=O)[O-] 28118 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.61 NC1=CN=CC=C1C(=O)O 16979 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.61 NC1=CN=NC=C1C(=O)O 20373 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.61 NC1=NC=CC=C1C(=O)O 27030 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.61 NC1=NC=NC=C1C(=O)O 17477 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.61 NC1=NN=CC=C1C(=O)O 18020 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 NC1=NN=CN=C1C(=O)O 20477 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 28502 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18059 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 31560 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 28530 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 27926 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 17679 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.61 O=C(O)C1=C(F)C=CC=C1 30015 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.61 O=C(O)C1=C(I)C=CC=C1 24457 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.61 O=C(O)C1=C(I)C=CC=N1 28576 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.61 O=C(O)C1=C(O)C=CC=C1 01498 [0,0,0,0,0,0|0,0,0]=0 42 B10R1.61 O=C(O)C1=C(O)C=CC=C1 30167 [0,0,0,0,0,0|0,0,0]=0 43 B10R1.61 O=C(O)C1=C(S)C=CC=C1 24480 [0,0,0,0,0,0|0,1,0]=1 44 B10R1.61 O=C(O)C1=CC=CN=C1Cl 31902 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.61 O=C(O)C1=CC=CN=C1F 27581 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.61 O=C(O)C1=CC=NC=C1Br 17194 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.61 O=C(O)C1=CC=NC=C1I 26142 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.61 O=C(O)C1=NC=CC=C1O 24514 [0,0,0,0,0,0|1,0,0]=1 49 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 26494 [0,0,0,0,0,0|0,0,1]=1 50 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 27094 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.61 O=[N+]([O-])C1=C(Br)C=NC=C1 28665 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 27099 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=N1 29070 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 02339 [0,0,0,0,0,0|1,0,1]=2 55 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 27931 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.61 O=[N+]([O-])C1=C(O)C=NC=C1 28868 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Br 28444 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Cl 27003 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O 28451 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.61 O=[N+]([O-])C1=CC=NC=C1Cl 28351 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.61 O=[N+]([O-])C1=CC=NC=C1F 24016 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.61 O=[N+]([O-])C1=CN=CC=C1Cl 28642 [0,0,0,0,0,0|3,0,1]=4 63 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Br 28445 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Cl 28350 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.61 O=[N+]([O-])C1=NC=CC=C1F 28854 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O 27015 [0,0,0,0,0,0|2,0,1]=3 67 B10R1.61 OB(O)C1=C(Cl)N=CC=C1 28689 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.61 OB(O)C1=C(F)N=CC=C1 28818 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.61 OB(O)C1=CC=CC=C1Br 31066 [0,0,0,0,0,0|2,0,1]=3 70 B10R1.61 OB(O)C1=CC=CC=C1Br 31430 [0,0,0,0,0,0|2,0,1]=3 71 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 NC(=O)C1=NC=CN=C1 22211 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.6 O=C(Cl)C1=CC=CN=C1 06993 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [1,0,0,0,0,0|0,0,0]=1 84 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [1,0,0,0,0,0|0,0,0]=1 85 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [1,0,0,0,0,0|0,0,0]=1 86 B9R1.6 O=C(O)C1=CC=CN=C1 01616 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.6 O=C(O)C1=CC=NC=C1 27060 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.6 O=C(O)C1=NC=CC=C1 03556 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.6 O=C(O)C1=NC=CC=N1 17811 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.6 O=C(O)C1=NC=CN=C1 26983 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.6 O=C(O)C1=NC=NC=C1 17543 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.6 O=C(O)C1=NN=CC=C1 24005 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [1,0,0,0,0,0|0,0,1]=2 94 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [1,0,0,0,0,0|0,0,1]=2 95 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 28277 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.6 OB(O)C1=CC=CC=C1 26799 [1,0,0,0,0,0|1,0,1]=3 97 B9R1.6 OB(O)C1=CC=CC=C1 29551 [1,0,0,0,0,0|1,0,1]=3 98 B9R1.6 OB(O)C1=CC=CC=N1 31151 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.6 OB(O)C1=CC=NC=C1 29071 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.6 OB(O)C1=CN=CC=C1 28849 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.15 CC1=NC=CN=C1C=O 26658 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 CCC1=C(O)C=CC=C1 26809 [1,0,0,0,0,0|1,0,1]=3 104 B9R1.15 COC1=C(Br)C=CC=C1 30420 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 COC1=C(F)C=CC=C1 30023 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 COC1=C(I)C=CC=C1 26768 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.15 N#CC1=CC=CN=C1O 29006 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.15 NC1=C(C=O)C=CC=N1 28552 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.15 NC1=C(C=O)C=CN=C1 17082 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.15 NC1=C(CO)C=CC=N1 17074 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.15 NC1=CC=NC=C1C=O 17064 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.15 NC1=CC=NC=C1C=O 18057 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.15 NC1=CN=CC=C1CO 17398 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.15 NC1=NC=CC=C1C=O 17970 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.15 O=CC1=C(Br)C=CC=C1 21252 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.15 O=CC1=C(F)C=CC=C1 30013 [1,0,0,0,0,0|1,0,0]=2 120 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [1,0,0,0,0,0|0,0,0]=1 121 B9R1.15 O=CC1=CN=CC=C1Cl 28845 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.15 O=CC1=NC=CN=C1Cl 20124 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [1,0,0,0,0,0|1,0,1]=3 124 B9R1.15 OCC1=C(F)C=CC=C1 31154 [1,0,0,0,0,0|1,0,1]=3 125 B9R1.15 OCC1=CC=CN=C1Cl 17223 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.15 OCC1=NC=CC=C1O 27043 [1,0,0,0,0,0|1,0,1]=3 127 B11R1.53 COC1=C(B(O)O)C=CC=C1 30879 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.53 COC1=C(B(O)O)C=CC=C1 31432 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.53 COC1=C(B(O)O)C=CC=N1 28965 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.53 COC1=C(C(=O)O)C=CC=C1 24458 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 27702 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.53 COC1=C([N+](=O)[O-])N=CC=C1 28226 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.53 COC1=CC=CC=C1C(=N)N 18733 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] 27480 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 27898 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.53 O=CC1=C([N+](=O)[O-])C=CC=C1 04896 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.53 O=CC1=CC=CC=C1B(O)O 31895 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.53 O=[N+]([O-])C1=C(SCl)C=CC=C1 02335 [0,1,0,0,0,0|1,1,1]=4 139 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Cl 28420 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.87 NC1=CC=CC=C1S(N)(=O)=O 17078 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.87 NS(=O)(=O)C1=C(Br)C=CC=C1 28137 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CC=C1 27701 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.156 CC(=O)C1=C(O)C=CC=C1O 21959 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.156 CC1=C(C(=O)O)C(Br)=CC=C1 28489 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.156 CC1=C([N+](=O)[O-])C(O)=NC=C1 27245 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O 27647 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.156 CC1=CC=CC(N)=C1C(=O)O 27148 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.156 CC1=CC=CC(O)=C1[N+](=O)[O-] 21541 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.156 CC1=NC=CC(C)=C1C(=O)O 17376 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.156 N=C(N)C1=C(Cl)C=CC=C1Cl 19946 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.156 N=C(N)C1=C(F)C=CC=C1Cl 20013 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.156 NC1=CC=CC(Cl)=C1C(=O)O 21260 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.156 NC1=CC=CC(F)=C1C(=O)O 24600 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.156 O=C(O)C1=C(Br)C=NC=C1Br 29124 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.156 O=C(O)C1=C(F)C=NC=C1F 28886 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.156 O=[N+]([O-])C1=C(Cl)N=CC=C1O 29045 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.156 O=[N+]([O-])C1=C(O)C=CC=C1O 27101 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.159 CC(=O)C1=CC=CC(F)=C1O 24402 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.159 CC(=O)C1=CC=NC(Cl)=C1N 17875 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.159 CC1=C(Br)C(C(=O)O)=CC=C1 27861 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.159 CC1=C(Br)C=CC=C1C(=O)O 26118 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 27721 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.159 CC1=C(C(=O)O)C=CC=C1O 28377 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.159 CC1=C(Cl)C(C(=O)O)=CC=C1 27865 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.159 CC1=C(I)C([N+](=O)[O-])=CC=C1 27899 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.159 CC1=C(I)C=CC=C1C(=O)O 28302 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 27140 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.159 CC1=C(N)C([N+](=O)[O-])=CC=C1 27139 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.159 CC1=C(N)C=CC=C1C(=O)O 27829 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1Br 27230 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1F 21805 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.159 CC1=CC=CC(C(=O)O)=C1O 26822 [0,1,0,0,0,0|0,0,0]=1 173 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1Br 27956 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1Cl 27959 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.159 N=C(N)C1=CC=CC(F)=C1F 19931 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 27240 [0,1,0,0,0,0|0,0,0]=1 177 B11R1.159 NC1=C(O)C=CC=C1[N+](=O)[O-] 27253 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl 28171 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 29440 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 31152 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29048 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 26815 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 26753 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 30402 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 24972 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 26813 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.166 CC(=O)C1=CC=C(Br)C=C1C 29316 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.166 CC(=O)C1=CC=C(C)C=C1O 24914 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.166 CC(=O)C1=CC=C(I)C=C1O 23951 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.166 CC1=C(B(O)O)C=CC(Cl)=C1 28643 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 27653 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 17475 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 28616 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.166 CC1=C(C(=O)O)N=CC(Br)=C1 26218 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Br)=C1 27974 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.166 CC1=C([N+](=O)[O-])C=CC(F)=C1 21868 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=C1 17346 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 21902 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 26826 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.166 CC1=CC(Cl)=C(B(O)O)C=C1 28741 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 21264 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 29221 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 29907 [0,1,0,0,0,0|0,0,0]=1 204 B11R1.166 CC1=CC(O)=CC=C1B(O)O 26171 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 19944 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 18665 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 01724 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.166 CC1=CC=C([N+](=O)[O-])C(O)=N1 28662 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.166 CC1=CC=C([N+](=O)[O-])C(O)=N1 29172 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F 20241 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 19941 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1F 20267 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.166 N=C(N)C1=CC=C(F)C=C1Cl 20006 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.166 N=C(N)C1=CC=C(F)C=C1F 19942 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 21237 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.166 NC1=CC(Br)=C([N+](=O)[O-])C=C1 29056 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 31570 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.166 NC1=CC(Cl)=C([N+](=O)[O-])C=C1 27889 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O 21851 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 24633 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 02102 [0,1,0,0,0,0|0,0,0]=1 222 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 29881 [0,1,0,0,0,0|0,0,1]=2 223 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 28942 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 27590 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 31563 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 23268 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 31153 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 28404 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 24579 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.166 O=C(O)C1=CC=C(I)C=C1Cl 28905 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(Cl)C=C1 19991 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Br)C=C1 17478 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Br)C=C1 31976 [0,1,0,0,0,0|1,0,1]=3 234 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1I 29335 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 31443 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl 27366 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 31181 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 26011 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 24651 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 24864 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1O 26010 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 28928 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 29214 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.167 CC1=C([N+](=O)[O-])C=C(N)C=C1 21926 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 27152 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=C1 27862 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.167 CC1=CC=C(Br)C=C1C(=O)O 28296 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.167 CC1=CC=C(Br)C=C1[N+](=O)[O-] 29872 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 27651 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.167 CC1=CC=C(Cl)C=C1[N+](=O)[O-] 21236 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 20401 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.167 CC1=CC=C(F)C=C1[N+](=O)[O-] 21963 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.167 CC1=CC=C(I)C=C1C(=O)O 31957 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=N1 27016 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.167 CC1=CC=C(O)C=C1[N+](=O)[O-] 22020 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 24025 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 20393 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.167 N=C(N)C1=CC(Br)=CC=C1F 20383 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 21240 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 27149 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 29523 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 21254 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.167 NC1=C([N+](=O)[O-])C=C(Br)C=C1 31975 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 31571 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 19066 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 31581 [0,1,0,0,0,0|0,0,0]=1 267 B11R1.167 NC1=CC=C(F)C=C1C(=O)O 24582 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O 28970 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 19068 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 27368 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 28998 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 28107 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 28820 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 26824 [0,1,0,0,0,0|0,0,0]=1 275 B11R1.167 O=C(O)C1=C(O)C=CC(Cl)=C1 26825 [0,1,0,0,0,0|0,0,0]=1 276 B11R1.167 O=C(O)C1=CC(Br)=CC=C1I 31946 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F 31169 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl 28344 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl 28676 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.167 O=C(O)C1=CC(I)=CC=C1Br 27859 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl 31744 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.167 O=C(O)C1=CC(O)=CC=C1I 28288 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Br 29173 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.167 O=[N+]([O-])C1=C(Br)C=CC(Br)=C1 27095 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.167 O=[N+]([O-])C1=C(O)N=CC(F)=C1 28896 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1O 25753 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CN=C1O 27913 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 27388 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.222 CC1=C(C(O)CN)C=CC=C1 23756 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.222 CC1=CC=CC=C1C(=O)C#N 19477 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.222 COC(=O)C1=C(I)C=CC=C1 30029 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.222 COC(=O)C1=C(N)C=NC=C1 17257 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.222 COC(=O)C1=CC=CN=C1N 17330 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.222 COC(=O)C1=NC=CN=C1N 24553 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.222 N#CC(=O)C1=C(F)C=CC=C1 18246 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 23687 [0,1,0,0,0,0|2,0,1]=4 297 B11R2.1 CC1=CNC2=C1C=CC=C2 21863 [0,0,0,1,0,0|3,0,0]=4 298 B11R2.1 NC1=NNC2=C1C=CC=C2 23261 [0,0,0,1,0,0|3,0,0]=4 299 B11R2.1 NC1COC2=CC=CC=C21 17963 [0,0,0,1,0,0|2,0,1]=4 300 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [0,0,0,1,0,0|2,0,0]=3 301 B11R2.1 O=C1CCC2=C1C=CC=N2 20461 [0,0,0,1,0,0|3,0,0]=4 302 B11R2.1 O=C1NCC2=CC=CC=C12 31367 [0,0,0,1,0,0|2,0,0]=3 303 B11R2.1 O=C1NN=C2C=CC=CN12 32071 [0,0,0,1,0,0|3,0,0]=4 304 B11R2.1 O=C1NSC2=C1C=CC=C2 31729 [0,0,0,1,0,0|1,1,0]=3 305 B11R2.1 ON1N=NC2=C1C=CC=C2 24755 [0,0,0,1,0,0|3,0,0]=4 306 B11R2.1 ON1N=NC2=C1C=CC=C2 29819 [0,0,0,1,0,0|3,0,0]=4 307 B9R1.41 CC1=C(C(=O)O)C=NO1 25805 [0,0,0,0,1,0|3,0,0]=4 308 B9R1.41 CC1=C(C(=O)O)N=CO1 26237 [0,0,0,0,1,0|3,0,0]=4 309 B9R1.41 CC1=C(C(=O)O)N=CS1 19136 [0,0,0,0,1,0|3,0,0]=4 310 B9R1.41 CC1=C(C(=O)O)SC=N1 25977 [0,0,0,0,1,0|3,0,0]=4 311 B9R1.41 CC1=NNC=C1C(=O)O 24720 [0,0,0,0,1,0|3,0,0]=4 312 B9R1.41 CC1=NOC=C1C(=O)O 17198 [0,0,0,0,1,0|3,0,0]=4 313 B9R1.41 CN1C=CN=C1C(=O)O 11564 [0,0,0,0,1,0|3,0,0]=4 314 B9R1.41 CN1N=CC=C1C(=O)O 17033 [0,0,0,0,1,0|3,0,0]=4 315 B9R1.41 NC1=NNC=C1C(=O)O 30826 [0,0,0,0,1,0|3,0,0]=4 316 B9R1.41 O=C(O)C1=C(Br)C=CS1 27708 [0,0,0,0,1,0|2,0,0]=3 317 B9R1.41 O=C(O)C1=C(Br)SC=C1 30710 [0,0,0,0,1,0|2,0,0]=3 318 B9R1.41 O=C(O)C1=CSC=C1Br 17701 [0,0,0,0,1,0|2,0,0]=3 319 B9R1.41 O=C(O)C1=NNC=C1Br 26138 [0,0,0,0,1,0|3,0,0]=4 320 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 23255 [0,0,0,0,0,1|2,0,0]=3 321 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [0,0,0,0,0,1|3,0,0]=4 322 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [0,0,0,0,0,1|3,0,0]=4 323 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [0,0,0,0,0,1|2,1,0]=4 324 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 20803 [0,0,0,0,0,1|3,0,0]=4 325 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 20806 [0,0,0,0,0,1|3,0,0]=4 326 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 24851 [0,0,0,0,0,1|2,1,0]=4 327 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21246 [0,0,0,0,0,1|1,0,0]=2 328 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [0,0,0,0,0,1|0,0,0]=1 329 B11R1.86 O=C(O)CN1C=CC=NC1=O 25013 [0,0,0,0,0,1|2,0,1]=4 330 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,1]=4 331 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|1,0,1]=4 332 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|1,0,1]=4 335 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 O=CC1=CC=NC=C1 07252 [2,0,0,0,0,0|1,0,0]=3 337 B8R1.2 O=CC1=CN=CN=C1 17090 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 O=CC1=NC=CC=C1 02023 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.2 O=CC1=NC=CN=C1 17542 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|0,0,1]=3 341 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|1,0,1]=4 342 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|1,0,1]=4 343 B8R1.5 BrC1=C(Br)C=CC=C1 26731 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.5 BrC1=C(Br)C=CC=C1 29549 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.5 BrC1=C(I)C=CC=C1 26767 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.5 CC1=C(F)C=CC=C1 30019 [2,0,0,0,0,0|1,0,1]=4 347 B8R1.5 CC1=CC=CN=C1O 27920 [2,0,0,0,0,0|1,0,1]=4 348 B8R1.5 ClC1=C(Br)C=CC=C1 30431 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.5 FC1=C(Br)C=CC=C1 30361 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.5 NC1=C(Br)C=CC=C1 27130 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.5 NC1=C(F)C=CC=C1 27132 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.5 NC1=C(N)C=CC=C1 31478 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.5 NC1=C(O)C=CN=C1 17149 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.5 NC1=C(O)C=NC=C1 26270 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.5 NC1=CC=CN=C1O 28734 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.5 NC1=NC=CC=C1O 16974 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.5 O=C1NC=CC=C1Cl 29245 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.5 OC1=C(I)N=CC=C1 27478 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.5 OC1=C(O)C=CC=C1 00500 [2,0,0,0,0,0|0,0,0]=2 360 B8R1.5 OC1=CC=CN=C1Br 26999 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.5 OC1=CC=CN=C1Cl 27006 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.5 OC1=NC=CC=C1Br 28737 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.5 [O-][N+]1=CC=CC=C1O 00785 [2,0,0,0,0,0|1,0,1]=4 364 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 28727 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 17580 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.13 CC1=CC=C(B(O)O)C=C1 30418 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.13 CC1=NC=C(C(N)=O)C=C1 27040 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 28295 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 27009 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [1,1,0,0,0,0|1,1,0]=4 386 B10R1.13 NC1=CC=C(B(O)O)C=C1 26157 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.13 NC1=CC=C(C(=O)O)C=C1 01431 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 01581 [1,1,0,0,0,0|0,0,1]=3 389 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 14327 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.13 NC1=CN=C(C(=O)O)C=N1 19075 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.13 NC1=NC=C(C(=O)O)C=C1 16981 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.13 NC1=NN=C(C(=O)O)C=C1 19168 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 27696 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 31562 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.13 O=C(O)C1=CC=C(F)C=C1 26837 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.13 O=C(O)C1=CC=C(I)C=C1 04894 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 25743 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 27008 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 29559 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 18713 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.13 O=C(O)C1=CN=C(O)C=C1 24512 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [1,1,0,0,0,0|0,0,1]=3 407 B10R1.13 O=C1C=CC(C(=O)O)=CO1 28092 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 31760 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 02340 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.13 OB(O)C1=CC=C(Br)C=C1 26800 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 27554 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.13 OB(O)C1=CC=C(F)C=C1 27553 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.13 OB(O)C1=CC=C(O)C=C1 31431 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.15 COC(=O)C1=CC=CN=C1 27049 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.15 COC(=O)C1=CC=NC=C1 27058 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.15 COC(=O)C1=CC=NC=N1 24031 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.15 COC(=O)C1=NC=CC=C1 27538 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.15 NNC(=O)C1=CC=NC=C1 24518 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.15 N\C(=N/O)C1=CC=CC=N1 31357 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.15 N\C(=N/O)C1=CC=NC=C1 31360 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.15 N\C(=N\O)C1=CN=CC=C1 29137 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.15 O=C(CBr)C1=CC=CC=N1 28615 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.15 O=C(CBr)C1=CN=CC=C1 24916 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.15 O=NN([O-])C1=CC=CC=C1 24604 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [1,1,0,0,0,0|0,0,2]=4 434 B10R1.28 CC(C)(O)C1=CC=CC=C1 14408 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 24129 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 28669 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 29041 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.113 CC(=O)C1=CC=CC(C)=N1 17414 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 28308 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.113 CC(=O)C1=NC=CC(C)=C1 28572 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.113 CC1=CC=CC(C(=O)O)=C1 29915 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.113 CC1=CN=CC(C(=O)O)=C1 28423 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 21732 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 32536 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 20111 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.113 N=C(N)C1=CC=CC(F)=C1 17461 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.113 N=C(N)C1=CC=CC(F)=C1 18901 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.113 N=C(N)C1=CC=CC(F)=C1 31282 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.113 NC(=O)C1=CC(N)=NC=C1 28791 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 26992 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.113 NC1=CC(B(O)O)=CC=C1 27141 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.113 NC1=CC(C(=O)O)=CC=C1 06887 [1,1,0,0,0,0|0,0,0]=2 461 B10R1.113 NC1=CC(C(=O)O)=CC=N1 28237 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.113 NC1=CC(C(=O)O)=NC=C1 17204 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.113 NC1=NC(C(=O)O)=CC=C1 28235 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.113 NC1=NC(C(=O)O)=CC=N1 26235 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 25550 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 31561 [1,1,0,0,0,0|0,0,0]=2 467 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 28167 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.113 O=C(O)C1=CC(F)=CC=C1 30016 [1,1,0,0,0,0|0,0,0]=2 469 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 28102 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 26991 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 28522 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 18712 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.113 O=C(O)C1=CC=NC(O)=C1 17184 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.113 O=C(O)C1=CN=CC(F)=C1 17284 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 27904 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.113 O=C(O)C1=NC=CC(I)=C1 17484 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 27497 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 27106 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 21241 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 31440 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.113 OB(O)C1=CC(F)=CC=C1 31441 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31067 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31433 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.2 CCC1=CC=CC(C)=C1O 28454 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.2 N#CC1=CC=CC(Br)=C1O 29287 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.2 O=CC1=C(Cl)C(Cl)=CC=C1 31159 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 24130 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.4 O\N=C\C1=C(O)C=CC=C1 22050 [1,1,0,0,0,0|0,0,0]=2 491 B10R1.20 COC1=C(C=O)N=CC=C1 17464 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.20 COC1=C(CO)C=CC=C1 14050 [1,1,0,0,0,0|0,0,1]=3 493 B10R1.20 COC1=C(OC)C=CC=C1 27166 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.20 COC1=CC=NC=C1C=O 17209 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.20 COC1=NC=CC=C1C=O 17146 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.20 O=CC1=C(C=O)C=CC=C1 31933 [1,1,0,0,0,0|0,0,1]=3 497 B10R1.25 CC1=CC(Br)=CC=C1CO 29345 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.25 CC1=CC(Cl)=CC=C1CO 28919 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.25 CC1=CC=C(C=O)C(C)=N1 17629 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.25 COC1=CC=C(C)C=C1O 27589 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 17031 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 31160 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.25 O=CC1=CC=C(Br)C=C1O 31936 [1,1,0,0,0,0|0,0,0]=2 504 B10R1.30 CC1=CC=C(N)C(CO)=C1 27828 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.30 COC1=C(O)C=CC(C)=C1 29782 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.30 COC1=C(O)C=CC(C)=C1 29784 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 27984 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 26873 [1,1,0,0,0,0|0,0,0]=2 509 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 26874 [1,1,0,0,0,0|0,0,0]=2 510 B10R1.30 O=CC1=CC(Cl)=CC=C1Cl 25960 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.245 CC1=CC=CC(C)=C1CO 17396 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.245 O=CC1=C(Br)C=CC=C1Br 29998 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.245 O=CC1=C(Br)C=CC=C1F 17637 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.245 O=CC1=C(Cl)C=CC=C1Br 29997 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.245 O=CC1=C(Cl)C=CC=C1F 31161 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.245 O=CC1=C(F)C=CC=C1I 17983 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.245 O=CC1=C(I)C=CN=C1Cl 24011 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 17143 [0,1,0,0,1,0|2,0,0]=4 519 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 17255 [0,1,0,0,1,0|2,0,0]=4 520 B12R1.75 COC1=C(NC(=N)N)C=CC=C1 20809 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 28774 [0,1,0,0,0,1|1,0,0]=3 522 B12R1.124 O=C(O)[C@H](O)C1=CC=CC=C1Cl 31723 [0,1,0,0,0,1|1,0,0]=3 523 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 27375 [0,1,0,0,0,1|1,0,0]=3 524 B12R1.224 NC1=CC=CN(CC(=O)O)C1=O 14051 [0,1,0,0,0,1|1,0,1]=4 525 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 29874 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 29150 [0,1,0,0,0,1|1,0,0]=3 527 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 28993 [0,1,0,0,0,1|1,0,0]=3 528 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 31182 [0,1,0,0,0,1|1,0,0]=3 529 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 23921 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=N1 28954 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 25921 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 25922 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.46 COC1=CC=C(Br)C=C1[N+](=O)[O-] 27729 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.46 COC1=CC=C(Cl)C=C1C(C)=O 25920 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.46 COC1=CC=C(F)C=C1B(O)O 28571 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.46 COC1=CC=C(N)C=C1C(=O)O 29175 [0,2,0,0,0,0|0,0,0]=2 537 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 29051 [0,2,0,0,0,0|0,0,0]=2 538 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 26838 [0,2,0,0,0,0|0,0,0]=2 539 B12R1.57 COC1=C(C(=O)O)C=CC(N)=C1 27910 [0,2,0,0,0,0|0,0,0]=2 540 B12R1.57 COC1=CC(F)=CC=C1C(C)=O 24953 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 27387 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.77 COC1=C(C(O)CN)C=CC=C1 23755 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.87 COC1=C(C(=O)O)C=CC=C1Br 27649 [0,2,0,0,0,0|0,0,0]=2 544 B12R1.87 COC1=C(C(=O)O)C=CC=C1Cl 28143 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.87 COC1=C(C)C=CC=C1C(C)=O 29292 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.87 COC1=C(N)C=CC=C1C(=O)O 29184 [0,2,0,0,0,0|0,0,0]=2 547 B12R1.261 O=C(O)C1=C(C(=O)O)C=CC=C1 32017 [0,2,0,0,0,0|0,0,0]=2 548 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 02237 [0,2,0,0,0,0|0,0,1]=3 549 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 02337 [0,2,0,0,0,0|0,0,1]=3 550 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=N1 18923 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O 24515 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O 21247 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O 01969 [0,2,0,0,0,0|0,0,1]=3 554 B12R1.261 O=[N+]([O-])C1=C(B(O)O)C=CC=C1 28124 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 29904 [0,2,0,0,0,0|0,0,0]=2 556 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 27444 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.437 COC1=CC=CC(C)=C1[N+](=O)[O-] 30842 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.437 COC1=CC=CC(N)=C1C(=O)O 28577 [0,2,0,0,0,0|0,0,0]=2 559 B12R1.437 O=[N+]([O-])C1=C(CO)C=CC=C1Cl 28819 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O 27998 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.1000 CC1=CC(C)=C(C(=O)Cl)C(C)=C1 27363 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 24964 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.1000 NC1=CC(F)=CC(F)=C1C(=O)O 26167 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.1000 O=[N+]([O-])C1=C(O)C=C(O)C=C1O 25715 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 27987 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 28915 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.24 COC(=O)C1=CC=CC(N)=C1C 28208 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.440 COC1=NC=CC(C(=O)O)=C1N 29461 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.440 O=CC1=CC=CC([N+](=O)[O-])=C1O 31918 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.511 CC(=O)C1=C(O)C(Br)=CC(Br)=C1 28179 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.511 CC(=O)C1=CC(C)=CC(C)=C1O 24699 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.511 CC(=O)C1=CC(Cl)=CC(Cl)=C1O 24653 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.511 CC1=CC(Br)=C(N)C(C(=O)O)=C1 27694 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.511 CC1=CC(N)=C(O)C([N+](=O)[O-])=C1 17633 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.511 O=C(O)C1=C(I)C(I)=CC(I)=C1 01483 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.511 O=C(O)C1=C(O)C(I)=CC(I)=C1 30030 [0,2,0,0,0,0|0,0,0]=2 577 B12R1.893 O=C(O)C1=C(O)C(O)=C(O)C=C1 31493 [0,2,0,0,0,0|0,0,0]=2 578 B12R1.232 CC(=O)C1=C(O)C=C(C)C(Br)=C1 29297 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O 24644 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1O 24681 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.232 CC(=O)C1=CC(F)=C(Cl)C=C1Cl 24601 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.232 CC1=CC(C(=O)O)=C(N)C=C1Cl 18675 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(Cl)=C1 28534 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.232 O=C(O)C1=C(O)C=C(O)C(Br)=C1 26823 [0,2,0,0,0,0|0,0,0]=2 585 B12R1.232 O=C(O)C1=CC(F)=C(Cl)N=C1Cl 28413 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.452 CC(=O)C1=CC=C(C#N)C=C1C 29291 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 27466 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 28482 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 27891 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 17329 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 25768 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.452 COC1=CC=C(C(C)=O)C(C)=C1 29206 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.1703 CCC(=O)C1=C(F)C=C(F)C=C1 24946 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=C1 28876 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N 23976 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br 19995 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.1703 COC(=O)C1=CC=C(N)C=C1C 29113 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.1703 NNC(=O)C1=C(O)C=C(O)C=C1 24657 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 25056 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.1703 O=C(CCl)C1=C(Cl)C=C(Cl)C=C1 26762 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.354 CCC(=O)C1=C(F)C=CC(F)=C1 24947 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.354 CCC(=O)C1=CC(Br)=CC=C1O 26015 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.354 CCC(=O)C1=CC(C)=CC=C1O 24696 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.354 CCC(=O)C1=CC(F)=CC=C1O 24687 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.354 CCC(=O)C1=CC(O)=CC=C1O 25735 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 27988 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.354 COC(=O)C1=C(N)N=CC(Br)=C1 17439 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 31453 [0,2,0,0,0,0|0,0,0]=2 609 B12R1.354 COC(=O)C1=CC(I)=CC=C1N 28408 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.354 COC(=O)C1=CC(N)=NC=C1Br 24642 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.354 O=C(CBr)C1=C(O)C=CC(Br)=C1 25914 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.354 O=C(CBr)C1=C(O)C=CC(Cl)=C1 25913 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.354 O=C(CBr)C1=CC(F)=CC=C1O 25915 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.453 CCC1=CC=C(O)C(C(C)=O)=C1 24667 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.453 COC1=CC(C(=O)O)=C(Cl)C=C1 28343 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.453 COC1=CC(C(=O)O)=C(N)C=C1 27408 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 25769 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.453 COC1=CC([N+](=O)[O-])=C(O)C=C1 27492 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.453 COC1=NC=C(N)C(C(=O)O)=C1 19069 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.453 N#CC1=CC(C(=O)O)=C(N)C=C1 29910 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.308 CC1=C(C(=O)CC#N)C=CC=C1 25945 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.308 CCOC(=O)C1=C(Cl)C=CN=C1 20278 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 17675 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.308 N#CCC(=O)C1=C(Br)C=CC=C1 17975 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.308 N#CCC(=O)C1=C(Cl)C=CC=C1 25722 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.308 N#CCC(=O)C1=CC=CC=C1I 20027 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.66 CC(=O)\C=C/C1=CC=CO1 25734 [0,0,1,1,0,0|1,0,0]=3 628 B10R1.66 CC(=O)\C=C\C1=CC=CS1 25725 [0,0,1,1,0,0|1,1,0]=4 629 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [1,0,0,1,0,0|2,0,0]=4 630 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [1,0,0,1,0,0|2,0,0]=4 631 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [0,0,0,1,0,1|2,0,0]=4 632 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,0,0,1,0,1|2,0,0]=4 633 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 17342 [0,0,0,1,0,1|2,0,0]=4 634 B12R2.24 O=C1COC2=C(C=CC=C2)N1 24676 [0,0,0,1,0,1|1,0,0]=3 635 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 25858 [0,0,0,1,0,1|1,1,0]=4 636 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 21519 [0,0,0,1,0,1|2,0,0]=4 637 B12R2.202 NC1=NC2=C(C=CC=C2O)S1 17244 [0,0,0,1,0,1|1,1,0]=4 638 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 26203 [0,0,0,1,0,1|2,0,0]=4 639 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 17482 [0,0,0,1,0,1|2,0,0]=4 640 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 21289 [0,0,0,1,0,1|2,0,0]=4 641 B12R2.1081 O=C1C=COC2=C1C=CC=C2 26004 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.1081 O=C1CCNC2=C1C=CC=C2 17242 [0,1,0,1,0,0|2,0,0]=4 643 B12R2.1081 O=C1CCOC2=C1C=CC=C2 24650 [0,1,0,1,0,0|1,0,0]=3 644 B12R2.1081 O=C1NCCC2=C1C=CC=C2 20083 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 00844 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 26114 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 24649 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 26967 [0,1,0,1,0,0|1,0,1]=4 649 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 02350 [0,1,0,1,0,0|0,0,1]=3 650 B12R2.196 O=C1CCC2=C1C=CC=C2Br 31298 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 30815 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.612 NC1=NOC2=CC(Br)=CC=C21 23843 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 24606 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 27603 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 21251 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 26295 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.612 O=C1COC2=C1C=CC(O)=C2 31269 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.612 O=C1COC2=CC(Br)=CC=C12 19192 [0,1,0,1,0,0|1,0,0]=3 659 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 18132 [0,1,0,1,0,0|1,0,0]=3 660 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 31315 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 25790 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 25792 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 25791 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 25793 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 18107 [0,1,0,1,0,0|1,0,0]=3 666 B12R2.132 O=C1COC2=CC=C(Br)C=C12 18104 [0,1,0,1,0,0|1,0,0]=3 667 B12R2.1 O=CC1=CNC2=C1C=CC=C2 21840 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.1 O=CC1=NNC2=C1C=CC=C2 17421 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.1 OCC1=CNC2=C1C=CC=C2 21896 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 00851 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.7 CC(=O)C1=CC=CO1 29786 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.7 CC(=O)C1=CSC=C1 26949 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.7 O=C(O)C1=CC=CN1 24486 [1,0,0,0,1,0|1,0,0]=3 674 B8R1.7 O=C(O)C1=CC=CO1 31538 [1,0,0,0,1,0|1,0,0]=3 675 B8R1.7 O=C(O)C1=CC=NN1 17336 [1,0,0,0,1,0|2,0,0]=4 676 B8R1.7 O=C(O)C1=CN=CO1 17808 [1,0,0,0,1,0|2,0,0]=4 677 B8R1.7 O=C(O)C1=CN=CS1 17129 [1,0,0,0,1,0|2,0,0]=4 678 B8R1.7 O=C(O)C1=CNC=N1 29769 [1,0,0,0,1,0|2,0,0]=4 679 B8R1.7 O=C(O)C1=COC=C1 26942 [1,0,0,0,1,0|1,0,0]=3 680 B8R1.7 O=C(O)C1=COC=N1 17539 [1,0,0,0,1,0|2,0,0]=4 681 B8R1.7 O=C(O)C1=CON=C1 18200 [1,0,0,0,1,0|2,0,0]=4 682 B8R1.7 O=C(O)C1=CSC=C1 16738 [1,0,0,0,1,0|1,0,0]=3 683 B8R1.7 O=C(O)C1=CSC=C1 26948 [1,0,0,0,1,0|1,0,0]=3 684 B8R1.7 O=C(O)C1=CSC=N1 17027 [1,0,0,0,1,0|2,0,0]=4 685 B8R1.7 O=C(O)C1=NC=CO1 19468 [1,0,0,0,1,0|2,0,0]=4 686 B8R1.7 O=C(O)C1=NC=CS1 17814 [1,0,0,0,1,0|2,0,0]=4 687 B8R1.7 O=C(O)C1=NOC=C1 17364 [1,0,0,0,1,0|2,0,0]=4 688 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 27370 [0,0,0,0,0,2|0,0,0]=2