0 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CC(N)C1=CC=NC=C1 17007 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(N)C1=CN=CC=C1 17106 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.6 CC(N)C1=NC=CC=C1 17105 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 N=C(N)C1=CN=CN=C1 19496 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 N=C(N)C1=NC=CC=N1 31276 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 NC(=O)C1=NC=CN=C1 22211 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 NC(=S)C1=CN=CN=C1 18224 [0,0,0,0,0,0|1,1,0]=2 17 B9R1.6 O=C(Cl)C1=CC=CN=C1 06993 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 O=C(O)C1=CC=CN=C1 01616 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 O=C(O)C1=CC=NC=C1 27060 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 O=C(O)C1=NC=CC=C1 03556 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 O=C(O)C1=NC=CC=N1 17811 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.6 O=C(O)C1=NC=CN=C1 26983 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 O=C(O)C1=NC=NC=C1 17543 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 O=C(O)C1=NN=CC=C1 24005 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 28277 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 OB(O)C1=CC=CC=C1 26799 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.6 OB(O)C1=CC=CC=C1 29551 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.6 OB(O)C1=CN=CC=C1 28849 [0,0,0,0,0,0|2,0,1]=3 34 B8R1.2 BrCC1=CC=CC=C1 00332 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 C#CC1=CC=CC=C1 24540 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 CNC1=CN=CC=C1 18208 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.2 COC1=CC=CC=C1 02045 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 ClCC1=CC=CN=C1 06928 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.2 ClCC1=CN=CN=C1 24067 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.2 N#CC1=CC=CC=C1 27352 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.2 N#CC1=NC=CN=C1 27679 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.2 NCC1=CC=CC=C1 29916 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.2 NCC1=CC=CN=C1 27056 [1,0,0,0,0,0|0,0,1]=2 44 B8R1.2 NCC1=CC=NC=C1 27066 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 NCC1=CC=NC=C1 28201 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 NCC1=CN=CC=N1 23715 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.2 NNC1=CC=CC=C1 02348 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 NNC1=CN=CC=N1 17541 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 O=CC1=CC=NC=C1 07252 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 O=CC1=CN=CN=C1 17090 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.2 O=CC1=NC=CC=C1 02023 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 O=CC1=NC=CN=C1 17542 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.2 OCC1=CC=CC=C1 00371 [1,0,0,0,0,0|1,0,2]=4 54 B8R1.2 OCC1=CC=CN=C1 27054 [1,0,0,0,0,0|0,0,2]=3 55 B8R1.2 OCC1=CC=CN=N1 26187 [1,0,0,0,0,0|1,0,2]=4 56 B8R1.2 OCC1=CN=CN=C1 26173 [1,0,0,0,0,0|1,0,2]=4 57 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 28727 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 17580 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.13 CC1=NC=C(C(N)=O)C=C1 27040 [0,1,0,0,0,0|0,0,0]=1 71 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 28858 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 28295 [0,1,0,0,0,0|0,0,0]=1 81 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 27009 [0,1,0,0,0,0|0,0,0]=1 82 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [0,1,0,0,0,0|1,1,0]=3 83 B10R1.13 NC1=CC=C(C(=O)O)C=C1 01431 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 01581 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 14327 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.13 NC1=CN=C(C(=O)O)C=N1 19075 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.13 NC1=NC=C(C(=O)O)C=C1 16981 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 27035 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.13 NC1=NN=C(C(=O)O)C=C1 19168 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 27696 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 31562 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.13 O=C(O)C1=CC=C(F)C=C1 26837 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 O=C(O)C1=CC=C(I)C=C1 04894 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 25743 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 27008 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 29559 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 18713 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.13 O=C(O)C1=CN=C(O)C=C1 24512 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 O=C1C=CC(C(=O)O)=CO1 28092 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 31760 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 02340 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=C1 27000 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 25556 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 24872 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 24841 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.13 OB(O)C1=CN=C(Br)C=C1 16994 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 16980 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.13 OB(O)C1=CN=C(F)C=C1 28736 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.15 COC(=O)C1=CC=CN=C1 27049 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.15 COC(=O)C1=CC=NC=C1 27058 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.15 COC(=O)C1=NC=CC=C1 27538 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [0,1,0,0,0,0|1,0,2]=4 122 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [0,1,0,0,0,0|0,0,2]=3 123 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [0,1,0,0,0,0|0,0,2]=3 124 B10R1.15 NNC(=O)C1=CC=NC=C1 24518 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.15 NNC(=O)C1=CC=NC=N1 19495 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.15 NNC(=O)C1=CN=CC=N1 18219 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [0,1,0,0,0,0|1,0,2]=4 129 B10R1.15 N\C(=N/O)C1=CC=CC=N1 31357 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.15 N\C(=N/O)C1=CC=NC=C1 31360 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.15 N\C(=N\O)C1=CN=CC=C1 29137 [0,1,0,0,0,0|0,0,1]=2 132 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.15 O=C(CBr)C1=CC=CC=N1 28615 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.15 O=C(CBr)C1=CN=CC=C1 24916 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.15 O=NN([O-])C1=CC=CC=C1 24604 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 24129 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.61 CC(=O)C1=C(N)C=CC=N1 17575 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.61 CC(=O)C1=CC=CN=C1Br 18013 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.61 CC(=O)C1=CC=CN=C1Cl 28803 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.61 CC(=O)C1=CC=CN=C1N 17315 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.61 CC1=C(C(=O)O)C=CN=C1 17262 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 29254 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] 18735 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.61 N=C(N)C1=CC=CC=C1Br 19996 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.61 N=C(N)C1=CC=CC=C1Cl 20015 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.61 N=C(N)C1=CC=CC=C1F 17984 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.61 NC(=O)C1=C(N)C=CC=N1 18868 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.61 NC(=O)C1=C(N)C=NC=C1 26244 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.61 NC(=O)C1=CN=CC=C1N 26283 [0,1,0,0,0,0|0,0,0]=1 157 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [0,1,0,0,0,0|1,1,0]=3 158 B10R1.61 NC1=CC=CN=C1C(=O)O 17022 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.61 NC1=CC=NC=C1C(=O)O 16977 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.61 NC1=CC=NC=C1[N+](=O)[O-] 28118 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.61 NC1=CN=CC=C1C(=O)O 16979 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.61 NC1=CN=NC=C1C(=O)O 20373 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.61 NC1=NC=CC=C1C(=O)O 27030 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.61 NC1=NC=NC=C1C(=O)O 17477 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.61 NC1=NN=CC=C1C(=O)O 18020 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.61 NC1=NN=CN=C1C(=O)O 20477 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 28502 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18059 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 31560 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 28530 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 27926 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 17679 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.61 O=C(O)C1=C(F)C=CC=C1 30015 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.61 O=C(O)C1=C(I)C=CC=C1 24457 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.61 O=C(O)C1=C(I)C=CC=N1 28576 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.61 O=C(O)C1=C(O)C=CC=C1 01498 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.61 O=C(O)C1=C(O)C=CC=C1 30167 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.61 O=C(O)C1=C(S)C=CC=C1 24480 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.61 O=C(O)C1=CC=CN=C1Cl 31902 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.61 O=C(O)C1=CC=CN=C1F 27581 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.61 O=C(O)C1=CC=NC=C1Br 17194 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.61 O=C(O)C1=CC=NC=C1I 26142 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.61 O=C(O)C1=NC=CC=C1O 24514 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 26494 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 27094 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 27099 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 02339 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 27931 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Br 28444 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Cl 27003 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O 28451 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.61 O=[N+]([O-])C1=CN=CC=C1Cl 28642 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.61 OB(O)C1=C(Cl)N=CC=C1 28689 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.61 OB(O)C1=C(F)N=CC=C1 28818 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 28669 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 29041 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.113 CC(=O)C1=CC=CC(C)=N1 17414 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 28308 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.113 CC(=O)C1=NC=CC(C)=C1 28572 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.113 CC1=CC=CC(C(=O)O)=C1 29915 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.113 CC1=CN=CC(C(=O)O)=C1 28423 [0,1,0,0,0,0|1,0,0]=2 207 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 21732 [0,1,0,0,0,0|1,0,1]=3 208 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 32536 [0,1,0,0,0,0|1,0,1]=3 209 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 20111 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.113 N=C(N)C1=CC=CC(F)=C1 17461 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.113 N=C(N)C1=CC=CC(F)=C1 18901 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.113 N=C(N)C1=CC=CC(F)=C1 31282 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.113 NC(=O)C1=CC(N)=NC=C1 28791 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 26992 [0,1,0,0,0,0|0,0,1]=2 218 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 26110 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.113 NC1=CC(C(=O)O)=CC=C1 06887 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.113 NC1=CC(C(=O)O)=CC=N1 28237 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.113 NC1=CC(C(=O)O)=NC=C1 17204 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.113 NC1=CC([N+](=O)[O-])=CN=C1 19141 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.113 NC1=NC(C(=O)O)=CC=C1 28235 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 25550 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 31561 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 28167 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.113 O=C(O)C1=CC(F)=CC=C1 30016 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 28102 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 26991 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 28522 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.113 O=C(O)C1=CC=NC(O)=C1 17184 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.113 O=C(O)C1=CN=CC(F)=C1 17284 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 27904 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.113 O=C(O)C1=NC=CC(I)=C1 17484 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 27497 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 27106 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 21241 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.113 O=[N+]([O-])C1=CN=CC(Br)=C1 28864 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.113 OB(O)C1=CN=CC(Br)=C1 28658 [0,1,0,0,0,0|2,0,1]=4 240 B8R1.7 CC(=O)C1=CC=CO1 29786 [0,0,0,0,1,0|2,0,0]=3 241 B8R1.7 CC(=O)C1=CSC=C1 26949 [0,0,0,0,1,0|2,0,0]=3 242 B8R1.7 CC(=O)C1=NC=CS1 24493 [0,0,0,0,1,0|2,0,0]=3 243 B8R1.7 CC(=O)N1C=CN=C1 02273 [0,0,0,0,1,0|2,0,0]=3 244 B8R1.7 CC(N)C1=CC=NO1 18519 [0,0,0,0,1,0|2,0,1]=4 245 B8R1.7 CC(N)C1=COC=C1 18499 [0,0,0,0,1,0|2,0,1]=4 246 B8R1.7 CC(N)C1=CSC=N1 18534 [0,0,0,0,1,0|2,0,1]=4 247 B8R1.7 N=C(N)N1C=CC=N1 21678 [0,0,0,0,1,0|2,0,0]=3 248 B8R1.7 N=C(N)N1C=NC=N1 31285 [0,0,0,0,1,0|3,0,0]=4 249 B8R1.7 NC(=O)C1=CN=CO1 20849 [0,0,0,0,1,0|1,0,0]=2 250 B8R1.7 NC(=O)C1=CN=CS1 26207 [0,0,0,0,1,0|1,0,0]=2 251 B8R1.7 NC(=O)C1=CSC=N1 20877 [0,0,0,0,1,0|1,0,0]=2 252 B8R1.7 NC(=O)C1=NC=CO1 20846 [0,0,0,0,1,0|1,0,0]=2 253 B8R1.7 NC(=O)[C@@H]1C=CCN1 07037 [0,0,0,0,1,0|0,0,3]=4 254 B8R1.7 NC(=S)C1=CC=NN1 17986 [0,0,0,0,1,0|1,1,0]=3 255 B8R1.7 NC(=S)C1=CN=CO1 19474 [0,0,0,0,1,0|1,1,0]=3 256 B8R1.7 NC(=S)C1=CN=CS1 19515 [0,0,0,0,1,0|1,1,0]=3 257 B8R1.7 NC(=S)C1=COC=N1 19471 [0,0,0,0,1,0|1,1,0]=3 258 B8R1.7 NC(=S)C1=CON=C1 19428 [0,0,0,0,1,0|1,1,0]=3 259 B8R1.7 NC(=S)C1=CSC=N1 20876 [0,0,0,0,1,0|1,1,0]=3 260 B8R1.7 NC(=S)C1=NC=CS1 19513 [0,0,0,0,1,0|1,1,0]=3 261 B8R1.7 O=C(O)C1=CC=CN1 24486 [0,0,0,0,1,0|1,0,1]=3 262 B8R1.7 O=C(O)C1=CC=CO1 31538 [0,0,0,0,1,0|2,0,0]=3 263 B8R1.7 O=C(O)C1=CC=NN1 17336 [0,0,0,0,1,0|2,0,0]=3 264 B8R1.7 O=C(O)C1=CN=CO1 17808 [0,0,0,0,1,0|2,0,0]=3 265 B8R1.7 O=C(O)C1=CN=CS1 17129 [0,0,0,0,1,0|2,0,0]=3 266 B8R1.7 O=C(O)C1=CNC=N1 29769 [0,0,0,0,1,0|2,0,0]=3 267 B8R1.7 O=C(O)C1=COC=C1 26942 [0,0,0,0,1,0|2,0,0]=3 268 B8R1.7 O=C(O)C1=COC=N1 17539 [0,0,0,0,1,0|2,0,0]=3 269 B8R1.7 O=C(O)C1=CON=C1 18200 [0,0,0,0,1,0|2,0,0]=3 270 B8R1.7 O=C(O)C1=CSC=C1 16738 [0,0,0,0,1,0|2,0,0]=3 271 B8R1.7 O=C(O)C1=CSC=C1 26948 [0,0,0,0,1,0|2,0,0]=3 272 B8R1.7 O=C(O)C1=CSC=N1 17027 [0,0,0,0,1,0|2,0,0]=3 273 B8R1.7 O=C(O)C1=NC=CO1 19468 [0,0,0,0,1,0|2,0,0]=3 274 B8R1.7 O=C(O)C1=NC=CS1 17814 [0,0,0,0,1,0|2,0,0]=3 275 B8R1.7 O=C(O)C1=NNC=N1 16998 [0,0,0,0,1,0|3,0,0]=4 276 B8R1.7 O=C(O)C1=NOC=C1 17364 [0,0,0,0,1,0|2,0,0]=3 277 B8R1.7 O=C(O)C1=NSN=C1 17570 [0,0,0,0,1,0|3,0,0]=4 278 B8R1.7 O=[N+]([O-])C1=CC=CS1 24987 [0,0,0,0,1,0|3,0,0]=4 279 B8R1.7 O=[N+]([O-])C1=CN=CS1 26254 [0,0,0,0,1,0|3,0,0]=4 280 B8R1.7 O=[N+]([O-])C1=CNN=C1 28112 [0,0,0,0,1,0|3,0,0]=4 281 B8R1.7 O=[N+]([O-])C1=NC=CN1 24485 [0,0,0,0,1,0|3,0,0]=4 282 B8R1.7 O=[N+]([O-])C1=NNC=C1 28111 [0,0,0,0,1,0|3,0,0]=4 283 B8R1.7 O=[N+]([O-])N1C=CC=N1 27395 [0,0,0,0,1,0|3,0,0]=4 284 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [0,0,0,0,0,1|1,0,0]=2 285 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [0,0,0,0,0,1|2,0,0]=3 287 B10R1.18 CC(=O)NC1=NC=CC=C1 27479 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [0,0,0,0,0,1|1,0,1]=3 289 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [0,0,0,0,0,1|2,0,1]=4 290 B10R1.18 NC(=S)NC1=NC=CC=C1 24854 [0,0,0,0,0,1|2,1,0]=4 291 B10R1.18 O=C(O)CC1=CC=CN=C1 27783 [0,0,0,0,0,1|1,0,0]=2 292 B10R1.18 O=C(O)CC1=CC=NC=C1 28780 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.18 S=C(Cl)OC1=CC=CC=C1 26924 [0,0,0,0,0,1|2,1,0]=4 294 B7R0.4 C\C=C\C=C\C(=O)O 01526 [1,0,1,0,0,0|1,0,1]=4 295 B7R0.4 C\C=C\C=C\C(=O)[O-] 22224 [1,0,1,0,0,0|1,0,1]=4 296 B7R1.3 BrC1=CC=CN=C1 27044 [2,0,0,0,0,0|1,0,0]=3 297 B7R1.3 BrC1=CC=CN=C1 29560 [2,0,0,0,0,0|1,0,0]=3 298 B7R1.3 CC1=CC=CC=C1 01740 [2,0,0,0,0,0|1,0,1]=4 299 B7R1.3 CC1=CC=CC=C1 30234 [2,0,0,0,0,0|1,0,1]=4 300 B7R1.3 CC1=CC=CN=C1 27052 [2,0,0,0,0,0|0,0,1]=3 301 B7R1.3 CC1=NC=CN=C1 31194 [2,0,0,0,0,0|1,0,1]=4 302 B7R1.3 ClC1=CC=CN=C1 27046 [2,0,0,0,0,0|1,0,0]=3 303 B7R1.3 ClC1=NN=CC=C1 26208 [2,0,0,0,0,0|2,0,0]=4 304 B7R1.3 FC1=CC=CN=C1 27045 [2,0,0,0,0,0|1,0,0]=3 305 B7R1.3 IC1=CC=CN=C1 22280 [2,0,0,0,0,0|1,0,0]=3 306 B7R1.3 NC1=CC=NC=C1 27983 [2,0,0,0,0,0|2,0,0]=4 307 B7R1.3 NC1=CC=NN=C1 20858 [2,0,0,0,0,0|1,0,0]=3 308 B7R1.3 NC1=CN=CN=C1 19494 [2,0,0,0,0,0|1,0,0]=3 309 B7R1.3 NC1=NC=CC=C1 27027 [2,0,0,0,0,0|2,0,0]=4 310 B7R1.3 NC1=NC=CN=C1 24511 [2,0,0,0,0,0|1,0,0]=3 311 B7R1.3 OC1=CC=CN=C1 02324 [2,0,0,0,0,0|0,0,1]=3 312 B7R1.3 [SiH3]C1=CC=CC=C1 31483 [2,0,0,0,0,0|1,1,0]=4 313 B9R1.1 CC1=CN=C(C=O)C=N1 26660 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.1 CC1=NC=C(C#N)C=C1 27540 [1,1,0,0,0,0|0,0,2]=4 315 B9R1.1 COC1=CC=C(C)N=C1 29217 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.1 COC1=CC=C(I)N=C1 10588 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.1 COC1=CC=C(N)N=C1 26213 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.1 COC1=CN=C(Cl)C=C1 28971 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.1 ClCC1=CN=C(Cl)C=C1 27917 [1,1,0,0,0,0|1,0,1]=4 320 B9R1.1 N#CC1=CC=C(Br)N=C1 17045 [1,1,0,0,0,0|0,0,2]=4 321 B9R1.1 N#CC1=CC=C(Cl)N=C1 27882 [1,1,0,0,0,0|0,0,2]=4 322 B9R1.1 N#CC1=CN=C(N)C=C1 27932 [1,1,0,0,0,0|0,0,2]=4 323 B9R1.1 N#CC1=CN=C(O)C=C1 29306 [1,1,0,0,0,0|0,0,2]=4 324 B9R1.1 NCC1=CC=C(Br)N=C1 19332 [1,1,0,0,0,0|0,0,1]=3 325 B9R1.1 NCC1=CC=C(O)C=C1 17203 [1,1,0,0,0,0|1,0,1]=4 326 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.1 NNC1=CC=C(Cl)N=N1 25697 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.1 NNC1=CC=C(F)C=C1 31299 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.1 O=CC1=CN=C(Br)C=C1 31251 [1,1,0,0,0,0|0,0,0]=2 336 B9R1.1 O=CC1=CN=C(Cl)C=C1 31273 [1,1,0,0,0,0|0,0,0]=2 337 B9R1.1 OCC1=CN=C(Br)C=C1 17561 [1,1,0,0,0,0|0,0,2]=4 338 B9R1.2 CC1=CN=CC(CCl)=C1 29342 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.2 N#CC1=CC(Br)=CN=C1 25548 [1,1,0,0,0,0|0,0,2]=4 340 B9R1.2 NCC1=CC(I)=CC=C1 28182 [1,1,0,0,0,0|1,0,1]=4 341 B9R1.2 NCC1=CC=CC(I)=C1 27339 [1,1,0,0,0,0|1,0,1]=4 342 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.2 O=CC1=CC(Br)=NC=C1 28825 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.2 O=CC1=CC(F)=NC=C1 26194 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.2 O=CC1=CC(O)=NC=C1 17656 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.2 O=CC1=CC=CC(Br)=N1 16982 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.8 CNCC1=CC=CC=C1 23236 [1,1,0,0,0,0|1,0,1]=4 351 B9R1.8 CNCC1=CC=CN=C1 23300 [1,1,0,0,0,0|0,0,1]=3 352 B9R1.8 CNCC1=NC=CN=C1 17803 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.8 COCC1=CC=CN=C1 29457 [1,1,0,0,0,0|0,0,2]=4 354 B9R1.8 NCCC1=CC=CC=C1 21747 [1,1,0,0,0,0|1,0,1]=4 355 B9R1.8 NCCC1=NC=CN=C1 17453 [1,1,0,0,0,0|1,0,1]=4 356 B9R1.8 NCCC1=NC=CN=C1 23818 [1,1,0,0,0,0|1,0,1]=4 357 B9R1.8 NOCC1=CC=CC=C1 02279 [1,1,0,0,0,0|1,0,1]=4 358 B9R1.8 ONCC1=CC=CC=C1 31261 [1,1,0,0,0,0|1,0,1]=4 359 B9R1.15 CC1=NC=CC=C1C#N 23178 [1,1,0,0,0,0|0,0,2]=4 360 B9R1.15 CC1=NC=CN=C1C=O 26658 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.15 COC1=C(Cl)N=CC=C1 28752 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.15 COC1=C(I)N=CC=C1 17657 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.15 COC1=C(N)C=CN=C1 26333 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.15 COC1=CC=CN=C1Br 17332 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.15 COC1=CC=CN=C1C 27922 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.15 COC1=CC=CN=C1N 26214 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.15 N#CC1=C(N)C=CN=C1 18056 [1,1,0,0,0,0|0,0,2]=4 368 B9R1.15 N#CC1=CC=CN=C1Cl 27382 [1,1,0,0,0,0|0,0,2]=4 369 B9R1.15 N#CC1=CC=CN=C1N 27928 [1,1,0,0,0,0|0,0,2]=4 370 B9R1.15 N#CC1=CC=CN=C1O 29006 [1,1,0,0,0,0|0,0,2]=4 371 B9R1.15 NC1=C(C=O)C=CC=N1 28552 [1,1,0,0,0,0|0,0,0]=2 372 B9R1.15 NC1=C(C=O)C=CN=C1 17082 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.15 NC1=C(CCl)C=CC=N1 18029 [1,1,0,0,0,0|1,0,1]=4 374 B9R1.15 NC1=C(CO)C=CC=N1 17074 [1,1,0,0,0,0|0,0,2]=4 375 B9R1.15 NC1=CC=NC=C1C=O 17064 [1,1,0,0,0,0|0,0,0]=2 376 B9R1.15 NC1=CC=NC=C1C=O 18057 [1,1,0,0,0,0|0,0,0]=2 377 B9R1.15 NC1=NC=CC=C1C=O 17970 [1,1,0,0,0,0|0,0,0]=2 378 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [1,1,0,0,0,0|0,0,1]=3 379 B9R1.15 O=CC1=C(Br)C=CC=C1 21252 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.15 O=CC1=C(F)C=CC=C1 30013 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.15 O=CC1=CN=CC=C1Cl 28845 [1,1,0,0,0,0|0,0,0]=2 383 B9R1.15 O=CC1=NC=CN=C1Cl 20124 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.15 OCC1=CC=CN=C1Cl 17223 [1,1,0,0,0,0|0,0,2]=4 385 B9R1.11 COC(=O)C1=CC=CN1 28422 [0,1,0,0,1,0|1,0,1]=4 386 B9R1.11 COC(=O)C1=CN=CS1 26172 [0,1,0,0,1,0|2,0,0]=4 387 B9R1.11 COC(=O)C1=COC=C1 28925 [0,1,0,0,1,0|2,0,0]=4 388 B9R1.11 NNC(=O)C1=CC=CS1 02877 [0,1,0,0,1,0|1,0,0]=3 389 B9R1.11 NNC(=O)C1=CN=CO1 19475 [0,1,0,0,1,0|1,0,0]=3 390 B9R1.11 NNC(=O)C1=CN=CS1 19516 [0,1,0,0,1,0|1,0,0]=3 391 B9R1.11 NNC(=O)C1=COC=N1 19472 [0,1,0,0,1,0|1,0,0]=3 392 B9R1.11 NNC(=O)C1=CSC=N1 20878 [0,1,0,0,1,0|1,0,0]=3 393 B9R1.11 NNC(=O)C1=NC=CO1 19469 [0,1,0,0,1,0|1,0,0]=3 394 B9R1.11 NNC(=O)C1=NC=CS1 19514 [0,1,0,0,1,0|1,0,0]=3 395 B9R1.11 O=C(CBr)C1=NC=CS1 26195 [0,1,0,0,1,0|2,0,0]=4 396 B9R1.11 O=C(O[Cu])C1=CC=CS1 31864 [0,1,0,0,1,0|2,0,0]=4 397 B9R1.35 CC(=O)C1=CC=C(Br)S1 27378 [0,1,0,0,1,0|2,0,0]=4 398 B9R1.35 CC1=CC(C(=O)O)=NO1 25497 [0,1,0,0,1,0|2,0,0]=4 399 B9R1.35 CC1=NC(C(=O)O)=CS1 17250 [0,1,0,0,1,0|2,0,0]=4 400 B9R1.35 CC1=NNC(C(=O)O)=C1 24692 [0,1,0,0,1,0|2,0,0]=4 401 B9R1.35 CN1C=CC(C(=O)O)=N1 17051 [0,1,0,0,1,0|2,0,0]=4 402 B9R1.35 NC1=NC(C(=O)O)=CS1 17055 [0,1,0,0,1,0|2,0,0]=4 403 B9R1.35 O=C(O)C1=CC=C(Br)S1 27864 [0,1,0,0,1,0|2,0,0]=4 404 B9R1.35 O=C(O)C1=CC=C(Cl)S1 27602 [0,1,0,0,1,0|2,0,0]=4 405 B9R1.35 O=C(O)C1=CN=C(Br)S1 24728 [0,1,0,0,1,0|2,0,0]=4 406 B9R1.35 O=C(O)C1=CSC(Br)=C1 30711 [0,1,0,0,1,0|2,0,0]=4 407 B9R1.35 O=C(O)C1=CSC(Br)=N1 24727 [0,1,0,0,1,0|2,0,0]=4 408 B9R1.41 CC1=C(C(=O)O)C=NO1 25805 [0,1,0,0,1,0|2,0,0]=4 409 B9R1.41 CC1=C(C(=O)O)N=CO1 26237 [0,1,0,0,1,0|2,0,0]=4 410 B9R1.41 CC1=C(C(=O)O)N=CS1 19136 [0,1,0,0,1,0|2,0,0]=4 411 B9R1.41 CC1=C(C(=O)O)SC=N1 25977 [0,1,0,0,1,0|2,0,0]=4 412 B9R1.41 CC1=NNC=C1C(=O)O 24720 [0,1,0,0,1,0|2,0,0]=4 413 B9R1.41 CC1=NOC=C1C(=O)O 17198 [0,1,0,0,1,0|2,0,0]=4 414 B9R1.41 CN1C=CN=C1C(=O)O 11564 [0,1,0,0,1,0|2,0,0]=4 415 B9R1.41 CN1N=CC=C1C(=O)O 17033 [0,1,0,0,1,0|2,0,0]=4 416 B9R1.41 NC(=O)C1=C(N)N=CN1 22002 [0,1,0,0,1,0|1,0,0]=3 417 B9R1.41 NC(=O)C1=C(N)NC=N1 29849 [0,1,0,0,1,0|1,0,0]=3 418 B9R1.41 NC1=NNC=C1C(=O)O 30826 [0,1,0,0,1,0|2,0,0]=4 419 B9R1.41 O=C(O)C1=C(Br)C=CS1 27708 [0,1,0,0,1,0|2,0,0]=4 420 B9R1.41 O=C(O)C1=C(Br)SC=C1 30710 [0,1,0,0,1,0|2,0,0]=4 421 B9R1.41 O=C(O)C1=CSC=C1Br 17701 [0,1,0,0,1,0|2,0,0]=4 422 B9R1.41 O=C(O)C1=NNC=C1Br 26138 [0,1,0,0,1,0|2,0,0]=4 423 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 30440 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 21980 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 20841 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 24846 [0,1,0,0,0,1|1,1,0]=4 427 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 24847 [0,1,0,0,0,1|1,1,0]=4 428 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 24848 [0,1,0,0,0,1|1,1,0]=4 429 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 02881 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 26910 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 21248 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 27878 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 21242 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 28402 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 17905 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 24586 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 24585 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 11689 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 16622 [0,1,0,0,0,1|1,0,0]=3 440 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 11670 [0,1,0,0,0,1|1,0,0]=3 441 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 03537 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 01317 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27521 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27766 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 12130 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24590 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.40 CC(CN)OC1=CC=CN=C1 23692 [0,1,0,0,0,1|1,0,1]=4 448 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 27093 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 23255 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [0,1,0,0,0,1|1,1,0]=4 454 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 20803 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 20806 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 24851 [0,1,0,0,0,1|1,1,0]=4 457 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21246 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.86 O=C(O)CN1C=CC=NC1=O 25013 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 30864 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 24850 [0,1,0,0,0,1|1,1,0]=4 462 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 28948 [0,1,0,0,0,1|1,0,0]=3 463 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 28953 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 27657 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.509 O=S(=O)(Cl)CC1=CC=CN=C1 23500 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 18069 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 04906 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 22537 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 18068 [0,2,0,0,0,0|1,1,0]=4 470 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 31346 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.3 COC1=CC=C(C(=N)N)C=C1 19012 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.3 COC1=CC=C(C(=O)O)C=C1 30356 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.3 COC1=CC=C(C(=O)O)N=N1 26301 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.3 COC1=CC=C(C(C)=O)C=C1 30355 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.3 COC1=CC=C(C(N)=S)C=C1 25691 [0,2,0,0,0,0|1,1,0]=4 476 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 27018 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 30859 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.3 N#CC1=NC=C([N+](=O)[O-])C=C1 29012 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 14307 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 28787 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 30427 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 02318 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 21608 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 27092 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 22234 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.19 NC1=NC=C(S(N)(=O)=O)C=N1 18685 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.19 O=S(=O)(Cl)C1=CC=C(Cl)N=C1 17294 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 26808 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 30403 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 24169 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 29418 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.21 CC(=O)C1=CC=C(C)C(Br)=C1 28652 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 26089 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.21 CC1=C(Br)N=CC([N+](=O)[O-])=C1 28695 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 26836 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 27650 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 27654 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.21 CC1=C(Cl)N=CC([N+](=O)[O-])=C1 28138 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 27242 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 27138 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 27137 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.21 CC1=C(N)N=CC([N+](=O)[O-])=C1 28691 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 26832 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.21 CC1=C(O)N=CC([N+](=O)[O-])=C1 30824 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.21 CC1=CC(C(=O)O)=CC=C1O 28602 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 18853 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.21 CC1=CC=C(C(=N)N)C=C1I 29274 [0,2,0,0,0,0|2,0,0]=4 508 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1Br 29123 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.21 N=C(N)C1=CC(Cl)=C(F)C=C1 20118 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.21 N=C(N)C1=CC(F)=C(Br)C=C1 20243 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.21 N=C(N)C1=CC=C(F)C(Br)=C1 20109 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 20081 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 31573 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 28729 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 29313 [0,2,0,0,0,0|1,0,0]=3 516 B11R1.21 NC1=C(Br)C=C([N+](=O)[O-])C=N1 28449 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 28357 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.21 NC1=C(Cl)C=C([N+](=O)[O-])C=N1 28117 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 31569 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 24532 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.21 NC1=NC=C([N+](=O)[O-])C=C1I 29017 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.21 O=C(O)C1=CC(Br)=C(O)C=C1 29089 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 29094 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 26840 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 21881 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 17497 [0,2,0,0,0,0|1,0,0]=3 527 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 27836 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 27720 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(Cl)N=C1 28239 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.21 O=[N+]([O-])C1=CN=C(Cl)C(Cl)=C1 28798 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.21 O=[N+]([O-])C1=CN=C(Cl)C(I)=C1 29354 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(Br)=C1 28797 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(Cl)=C1 29448 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(I)=C1 29452 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.22 CC1=CC=C(C(=O)C#N)C=C1 19478 [0,2,0,0,0,0|1,0,1]=4 536 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 30849 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 25958 [0,2,0,0,0,0|0,0,0]=2 538 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 30414 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 26760 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 24955 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 30432 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.22 COC(=O)C1=CC=C(F)C=C1 30021 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.22 COC(=O)C1=CC=C(I)C=C1 27404 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.22 COC(=O)C1=CN=C(C)C=C1 30854 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 27477 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.22 COC(=O)C1=COC(=O)C=C1 27235 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.22 N#CC(=O)C1=CC=C(Cl)C=C1 18293 [0,2,0,0,0,0|1,0,1]=4 548 B11R1.22 N#CC(=O)C1=CC=C(F)C=C1 18296 [0,2,0,0,0,0|1,0,1]=4 549 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 28481 [0,2,0,0,0,0|1,0,0]=3 550 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 24950 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 27125 [0,2,0,0,0,0|1,0,0]=3 552 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 24437 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 26759 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 27587 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 30340 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 23039 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 23040 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29048 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 26815 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 26753 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 30402 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 24972 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 26813 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.166 CC(=O)C1=CC=C(Br)C=C1C 29316 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.166 CC(=O)C1=CC=C(C)C=C1O 24914 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.166 CC(=O)C1=CC=C(I)C=C1O 23951 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.166 CC(=O)C1=CN=C(N)N=C1C 25589 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 27653 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 17475 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 28616 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Br)=N1 28710 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Cl)=N1 28260 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.166 CC1=C([N+](=O)[O-])C=NC(Br)=C1 28696 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 26826 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.166 CC1=CC(Cl)=NC=C1[N+](=O)[O-] 27244 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 29221 [0,2,0,0,0,0|1,0,0]=3 577 B11R1.166 CC1=CC(N)=NC=C1[N+](=O)[O-] 27247 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 29907 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.166 CC1=CC(O)=NC=C1[N+](=O)[O-] 27246 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 19944 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 18665 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Cl)=N1 28667 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.166 CC1=CC=C([N+](=O)[O-])C(N)=N1 27664 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.166 CC1=CC=C([N+](=O)[O-])C(O)=N1 28662 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.166 CC1=CC=C([N+](=O)[O-])C(O)=N1 29172 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.166 CC1=NC(N)=CC=C1[N+](=O)[O-] 27722 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F 20241 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 19941 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1F 20267 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.166 N=C(N)C1=CC=C(F)C=C1Cl 20006 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.166 N=C(N)C1=CC=C(F)C=C1F 19942 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 21237 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 31570 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.166 NC1=CC(Cl)=C([N+](=O)[O-])C=N1 18061 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O 21851 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.166 NC1=CC(Cl)=NC=C1[N+](=O)[O-] 29152 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 24633 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 02102 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 29881 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.166 NC1=NC(Br)=CC=C1[N+](=O)[O-] 26225 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.166 NC1=NC(Cl)=CC=C1[N+](=O)[O-] 27639 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 27590 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 31563 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 23268 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 31153 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 28404 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 24579 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.166 O=C(O)C1=CC=C(I)C=C1Cl 28905 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.166 O=[N+]([O-])C1=C(Br)N=C(Br)C=C1 17965 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.166 O=[N+]([O-])C1=CC=C(Cl)N=C1Cl 27005 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.166 O=[N+]([O-])C1=CN=C(Cl)C=C1Cl 26210 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.166 O=[N+]([O-])C1=CN=C(O)C=C1Cl 26324 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.16 CCOC(=O)C1=CC=CN=C1 27050 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.16 CCOC(=O)C1=NC=CN=C1 28399 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.16 N#CCC(=O)C1=CC=CC=C1 24454 [0,2,0,0,0,0|1,0,1]=4 616 B11R1.16 O=C(CCCl)C1=CC=CC=C1 26765 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.16 O=C(OCCl)C1=CC=CC=C1 19364 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 26801 [0,2,0,0,0,0|1,0,1]=4 619 B11R1.23 CC1=CC=CC(C(=O)C#N)=C1 19476 [0,2,0,0,0,0|1,0,1]=4 620 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 27232 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 25549 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.23 COC(=O)C1=CN=CC(N)=C1 18099 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.23 N#CC(=O)C1=CC(Br)=CC=C1 18270 [0,2,0,0,0,0|1,0,1]=4 624 B11R1.23 N#CC(=O)C1=CC=CC(Cl)=C1 17824 [0,2,0,0,0,0|1,0,1]=4 625 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 25032 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 27875 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 24427 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 27388 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.222 CC1=CC=CC=C1C(=O)C#N 19477 [0,2,0,0,0,0|1,0,1]=4 630 B11R1.222 COC(=O)C1=C(I)C=CC=C1 30029 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.222 COC(=O)C1=CC=CN=C1N 17330 [0,2,0,0,0,0|1,0,0]=3 632 B11R1.222 COC(=O)C1=NC=CN=C1N 24553 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.222 N#CC(=O)C1=C(F)C=CC=C1 18246 [0,2,0,0,0,0|1,0,1]=4 634 B11R1.87 NC1=CC=CC=C1S(N)(=O)=O 17078 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.87 NS(=O)(=O)C1=C(Br)C=CC=C1 28137 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CC=C1 27701 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Cl 17447 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.53 COC1=C(C(=O)O)C=CC=C1 24458 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 27702 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.53 COC1=CC=CC=C1C(=N)N 18733 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] 27480 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.53 N#CC1=NC=CC=C1[N+](=O)[O-] 17466 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 27898 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.156 CC(=O)C1=C(O)C=CC=C1O 21959 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.156 CC1=C(C(=O)O)C(Br)=CC=C1 28489 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.156 CC1=C([N+](=O)[O-])C(Cl)=NC=C1 27318 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.156 CC1=C([N+](=O)[O-])C(N)=NC=C1 27029 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.156 CC1=C([N+](=O)[O-])C(O)=NC=C1 27245 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O 27647 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.156 CC1=CC=CC(N)=C1C(=O)O 27148 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.156 CC1=NC=CC(C)=C1C(=O)O 17376 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.156 N=C(N)C1=C(Cl)C=CC=C1Cl 19946 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.156 N=C(N)C1=C(F)C=CC=C1Cl 20013 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.156 NC1=CC=CC(Cl)=C1C(=O)O 21260 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.156 NC1=CC=CC(F)=C1C(=O)O 24600 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.156 NC1=CC=NC(Cl)=C1[N+](=O)[O-] 29020 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.156 NC1=NC=CC(Cl)=C1[N+](=O)[O-] 26185 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.156 O=[N+]([O-])C1=C(Br)C=CN=C1Br 29192 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.156 O=[N+]([O-])C1=C(Cl)C=CN=C1Cl 29176 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.156 O=[N+]([O-])C1=C(Cl)N=CC=C1O 29045 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.159 CC(=O)C1=CC=CC(F)=C1O 24402 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.159 CC1=C(Br)C(C(=O)O)=CC=C1 27861 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.159 CC1=C(Br)C=CC=C1C(=O)O 26118 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 27721 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.159 CC1=C(C(=O)O)C=CC=C1O 28377 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.159 CC1=C(Cl)C(C(=O)O)=CC=C1 27865 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.159 CC1=C(I)C=CC=C1C(=O)O 28302 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 27140 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.159 CC1=C(N)C=CC=C1C(=O)O 27829 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.159 CC1=CC=CC(C(=O)O)=C1O 26822 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.159 N=C(N)C1=CC=CC(F)=C1F 19931 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 27240 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl 28171 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 29440 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 31152 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 31181 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 26011 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 24651 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 24864 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1O 26010 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 28928 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 29214 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 27152 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.167 CC1=CC([N+](=O)[O-])=C(Cl)N=C1 28583 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=C1 27862 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.167 CC1=CC=C(Br)C=C1C(=O)O 28296 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 27651 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 20401 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.167 CC1=CC=C(I)C=C1C(=O)O 31957 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.167 CC1=CN=C(Br)C([N+](=O)[O-])=C1 29128 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.167 CC1=CN=C(N)C([N+](=O)[O-])=C1 27663 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.167 CC1=NC=C(Br)C=C1[N+](=O)[O-] 29149 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 24025 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 20393 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.167 N=C(N)C1=CC(Br)=CC=C1F 20383 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 21240 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 27149 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 29523 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 21254 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.167 NC1=C([N+](=O)[O-])C=C(F)C=N1 28883 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 31571 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 19066 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 31581 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.167 NC1=CC=C(F)C=C1C(=O)O 24582 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.167 NC1=NC=C(Br)C=C1[N+](=O)[O-] 25754 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.167 NC1=NC=C(Cl)C=C1[N+](=O)[O-] 27902 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 27368 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 28998 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 28107 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 28820 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 26824 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.167 O=C(O)C1=C(O)C=CC(Cl)=C1 26825 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.167 O=C(O)C1=CC(Br)=CC=C1I 31946 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl 28676 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.167 O=C(O)C1=CC(I)=CC=C1Br 27859 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl 31744 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.167 O=C(O)C1=CC(O)=CC=C1I 28288 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.167 O=[N+]([O-])C1=C(Br)N=CC(Cl)=C1 29022 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.167 O=[N+]([O-])C1=C(Cl)N=CC(Br)=C1 28225 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.167 O=[N+]([O-])C1=C(Cl)N=CC(Cl)=C1 28961 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.167 O=[N+]([O-])C1=C(Cl)N=CC(F)=C1 28969 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.167 O=[N+]([O-])C1=C(Cl)N=CC(I)=C1 28815 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.167 O=[N+]([O-])C1=C(O)N=CC(F)=C1 28896 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1O 25753 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CN=C1O 27913 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 27852 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 27644 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 21232 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 21256 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 18856 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 28229 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 27695 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.74 O=C(O)C1=CC(I)=CC(Br)=C1 28173 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 28999 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.74 O=C(O)C1=CC(O)=CC(Cl)=C1 18890 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 18900 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.266 COC1=CC(C(=N)N)=CC=C1 20141 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.266 COC1=CC=CC(C(C)=O)=C1 30858 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.266 N#CC1=CC(C(=O)Cl)=CC=C1 29943 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.266 N#CC1=CC(C(N)=O)=CC=C1 27455 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 05410 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 07165 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 28733 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 28927 [0,2,0,0,0,0|2,0,0]=4 745 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 18695 [0,0,0,1,0,1|2,0,0]=4 746 B11R2.10 CC1=CC2=C(C=CC=C2)N1 12992 [0,0,0,1,0,1|2,0,0]=4 747 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 31112 [0,0,0,1,0,1|2,0,0]=4 748 B11R2.10 NC1=NC2=C(C=CC=C2)N1 26960 [0,0,0,1,0,1|2,0,0]=4 749 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [0,0,0,1,0,1|2,0,0]=4 750 B11R2.10 O=C1CC2=C(C=CC=C2)N1 32065 [0,0,0,1,0,1|1,0,0]=3 751 B11R2.10 O=C1NC2=C(C=CC=C2)N1 32064 [0,0,0,1,0,1|1,0,0]=3 752 B11R2.10 S=C1NC2=C(C=CC=C2)N1 28342 [0,0,0,1,0,1|1,1,0]=4 753 B11R2.1 BrC1=CNC2=C1C=CC=N2 17260 [0,1,0,1,0,0|1,0,0]=3 754 B11R2.1 CC1=CNC2=C1C=CC=C2 21863 [0,1,0,1,0,0|2,0,0]=4 755 B11R2.1 IC1=CNC2=C1C=CC=N2 20886 [0,1,0,1,0,0|1,0,0]=3 756 B11R2.1 NC1=CNC2=NC=CC=C12 26248 [0,1,0,1,0,0|1,0,0]=3 757 B11R2.1 NC1=NNC2=C1C=CC=C2 23261 [0,1,0,1,0,0|2,0,0]=4 758 B11R2.1 NC1=NNC2=C1C=CC=N2 28851 [0,1,0,1,0,0|1,0,0]=3 759 B11R2.1 NC1CCC2=NC=CC=C21 20462 [0,1,0,1,0,0|1,0,1]=4 760 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [0,1,0,1,0,0|2,0,0]=4 761 B11R2.1 O=C1CCC2=C1C=CC=N2 20461 [0,1,0,1,0,0|1,0,0]=3 762 B11R2.1 O=C1NCC2=CC=CC=C12 31367 [0,1,0,1,0,0|1,0,0]=3 763 B11R2.1 O=C1NN=C2C=CC=CN12 32071 [0,1,0,1,0,0|2,0,0]=4 764 B11R2.1 O=C1NSC2=C1C=CC=C2 31729 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.1 NCC1=CC=NN1 17985 [1,0,0,0,1,0|1,0,1]=4 766 B7R1.1 NCC1=CC=NO1 18182 [1,0,0,0,1,0|1,0,1]=4 767 B7R1.1 NCC1=CN=CO1 20845 [1,0,0,0,1,0|1,0,1]=4 768 B7R1.1 NCC1=CN=CS1 19378 [1,0,0,0,1,0|1,0,1]=4 769 B7R1.1 NCC1=COC=N1 20843 [1,0,0,0,1,0|1,0,1]=4 770 B7R1.1 NCC1=COC=N1 20844 [1,0,0,0,1,0|1,0,1]=4 771 B7R1.1 NCC1=CON=C1 19372 [1,0,0,0,1,0|1,0,1]=4 772 B7R1.1 NCC1=CSC=N1 19377 [1,0,0,0,1,0|1,0,1]=4 773 B7R1.1 NCC1=NC=CN1 17521 [1,0,0,0,1,0|1,0,1]=4 774 B7R1.1 NCC1=NC=CN1 18174 [1,0,0,0,1,0|1,0,1]=4 775 B7R1.1 NCC1=NC=CS1 19376 [1,0,0,0,1,0|1,0,1]=4 776 B7R1.1 O=CC1=CC=CO1 32011 [1,0,0,0,1,0|1,0,0]=3 777 B7R1.1 O=CC1=CC=CS1 26946 [1,0,0,0,1,0|1,0,0]=3 778 B7R1.1 O=CC1=CN=CO1 19473 [1,0,0,0,1,0|1,0,0]=3 779 B7R1.1 O=CC1=CN=CS1 24726 [1,0,0,0,1,0|1,0,0]=3 780 B7R1.1 O=CC1=CNC=N1 28139 [1,0,0,0,1,0|1,0,0]=3 781 B7R1.1 O=CC1=CNN=C1 17608 [1,0,0,0,1,0|1,0,0]=3 782 B7R1.1 O=CC1=CNN=N1 17911 [1,0,0,0,1,0|2,0,0]=4 783 B7R1.1 O=CC1=COC=N1 19470 [1,0,0,0,1,0|1,0,0]=3 784 B7R1.1 O=CC1=CON=C1 17796 [1,0,0,0,1,0|1,0,0]=3 785 B7R1.1 O=CC1=CSC=N1 17392 [1,0,0,0,1,0|1,0,0]=3 786 B7R1.1 O=CC1=NC=CN1 29496 [1,0,0,0,1,0|1,0,0]=3 787 B7R1.1 O=CC1=NC=CO1 19466 [1,0,0,0,1,0|1,0,0]=3 788 B7R1.1 O=CC1=NC=CS1 24611 [1,0,0,0,1,0|1,0,0]=3 789 B7R1.1 O=CC1=NNC=C1 17422 [1,0,0,0,1,0|1,0,0]=3 790 B7R1.1 O=CC1=NOC=C1 17795 [1,0,0,0,1,0|1,0,0]=3 791 B7R1.1 O=CN1C=CN=C1 29216 [1,0,0,0,1,0|1,0,0]=3 792 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [0,0,0,0,0,2|2,0,0]=4 793 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [0,0,0,0,0,2|2,0,0]=4 794 B11R1.91 NC(=O)OCC1=CC=CC=C1 27153 [0,0,0,0,0,2|1,0,0]=3 795 B11R1.91 O=C(O)C#CC1=CC=CC=C1 22061 [0,0,0,0,0,2|2,0,0]=4 796 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [0,0,0,0,0,2|2,0,0]=4 797 B11R1.91 O=C(O)CNC1=CC=CC=C1 03076 [0,0,0,0,0,2|2,0,0]=4 798 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 01532 [0,0,0,0,0,2|2,0,0]=4 799 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 27055 [0,0,0,0,0,2|1,0,0]=3 800 B11R1.91 O=C([O-])COC1=CC=CC=C1 01413 [0,0,0,0,0,2|2,0,0]=4