0 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 28727 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 17580 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.13 CC1=CC=C(B(O)O)C=C1 30418 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.13 CC1=NC=C(C(N)=O)C=C1 27040 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 28858 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 28295 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 27009 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [0,0,0,0,0,0|2,1,0]=3 31 B10R1.13 NC1=CC=C(B(O)O)C=C1 26157 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.13 NC1=CC=C(C(=O)O)C=C1 01431 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 01581 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 14327 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.13 NC1=CC=C([N+](=O)[O-])N=C1 26143 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.13 NC1=CN=C(C(=O)O)C=N1 19075 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.13 NC1=NC=C(C(=O)O)C=C1 16981 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 27035 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.13 NC1=NN=C(C(=O)O)C=C1 19168 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 27696 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 31562 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.13 O=C(O)C1=CC=C(F)C=C1 26837 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.13 O=C(O)C1=CC=C(I)C=C1 04894 [0,0,0,0,0,0|1,0,0]=1 46 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 25743 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 27008 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 29559 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 18713 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.13 O=C(O)C1=CN=C(O)C=C1 24512 [0,0,0,0,0,0|1,0,0]=1 51 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [0,0,0,0,0,0|1,0,0]=1 53 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [0,0,0,0,0,0|0,0,1]=1 54 B10R1.13 O=C1C=CC(C(=O)O)=CO1 28092 [0,0,0,0,0,0|1,0,1]=2 55 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=N1 28673 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 31760 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 02340 [0,0,0,0,0,0|1,0,1]=2 58 B10R1.13 O=[N+]([O-])C1=CC=[N+]([O-])C=C1 26995 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=C1 27000 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 25556 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 24872 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 24841 [0,0,0,0,0,0|2,1,1]=4 63 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 28119 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.13 OB(O)C1=CC=C(Br)C=C1 26800 [0,0,0,0,0,0|2,0,1]=3 65 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 27554 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.13 OB(O)C1=CC=C(F)C=C1 27553 [0,0,0,0,0,0|2,0,1]=3 67 B10R1.13 OB(O)C1=CC=C(O)C=C1 31431 [0,0,0,0,0,0|1,0,1]=2 68 B10R1.13 OB(O)C1=CN=C(Br)C=C1 16994 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 16980 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.13 OB(O)C1=CN=C(F)C=C1 28736 [0,0,0,0,0,0|3,0,1]=4 71 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.1 C#CC1=CC=C(N)C=C1 28132 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.1 CC1=CC=C(CO)C=C1 15163 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.1 CC1=CN=C(C=O)C=N1 26660 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.1 CNC1=CC=C(O)C=C1 32029 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.1 COC1=CC=C(Br)C=C1 30359 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 COC1=CC=C(C)C=C1 27173 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 COC1=CC=C(F)C=C1 30024 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 N#CC1=CN=C(O)C=C1 29306 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.1 NC1=CC=C(CO)C=C1 29757 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.1 NCC1=CC=C(O)C=C1 17203 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 NNC1=CC=C(F)C=C1 31299 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [1,0,0,0,0,0|0,0,0]=1 91 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [1,0,0,0,0,0|0,0,1]=2 92 B9R1.1 O=CC1=CN=C(Br)C=C1 31251 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 O=CC1=CN=C(Cl)C=C1 31273 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [1,0,0,0,0,0|1,0,1]=3 95 B9R1.1 OCC1=CC=C(F)C=C1 30025 [1,0,0,0,0,0|1,0,1]=3 96 B9R1.1 OCC1=CC=C(O)C=C1 00198 [1,0,0,0,0,0|0,0,1]=2 97 B9R1.1 OCC1=CN=C(Br)C=C1 17561 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.1 OCC1=NC=C(Cl)C=C1 26335 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.6 NC(=O)C1=NC=CN=C1 22211 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.6 O=C(Cl)C1=CC=CN=C1 06993 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [1,0,0,0,0,0|0,0,0]=1 112 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [1,0,0,0,0,0|0,0,0]=1 113 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [1,0,0,0,0,0|0,0,0]=1 114 B9R1.6 O=C(O)C1=CC=CN=C1 01616 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.6 O=C(O)C1=CC=NC=C1 27060 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.6 O=C(O)C1=NC=CC=C1 03556 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.6 O=C(O)C1=NC=CC=N1 17811 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.6 O=C(O)C1=NC=CN=C1 26983 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.6 O=C(O)C1=NC=NC=C1 17543 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.6 O=C(O)C1=NN=CC=C1 24005 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [1,0,0,0,0,0|0,0,1]=2 122 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [1,0,0,0,0,0|0,0,1]=2 123 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 28277 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.6 OB(O)C1=CC=CC=C1 26799 [1,0,0,0,0,0|1,0,1]=3 125 B9R1.6 OB(O)C1=CC=CC=C1 29551 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.6 OB(O)C1=CC=CC=N1 31151 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.6 OB(O)C1=CC=NC=C1 29071 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.6 OB(O)C1=CN=CC=C1 28849 [1,0,0,0,0,0|2,0,1]=4 129 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 18069 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 04906 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 22537 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 18068 [0,1,0,0,0,0|2,1,0]=4 133 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 31346 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.3 COC1=CC=C(B(O)O)C=C1 27556 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.3 COC1=CC=C(B(O)O)C=N1 16975 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.3 COC1=CC=C(C(=N)N)C=C1 19012 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.3 COC1=CC=C(C(=O)O)C=C1 30356 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.3 COC1=CC=C(C(=O)O)N=N1 26301 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.3 COC1=CC=C(C(C)=O)C=C1 30355 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.3 COC1=CC=C(C(N)=S)C=C1 25691 [0,1,0,0,0,0|1,1,0]=3 141 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 27018 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 30859 [0,1,0,0,0,0|1,1,0]=3 143 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 28497 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 31257 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 14307 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 21971 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 28787 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 30427 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 02318 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 21608 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 31437 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 27092 [0,1,0,0,0,0|0,0,1]=2 153 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 24528 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 01493 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 00836 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.3 OCC1=CC=C(B(O)O)C=C1 16612 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 00490 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 02359 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 30097 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 31232 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 31532 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 01278 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 30007 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 31284 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 31288 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 27501 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 27503 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 27565 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 27672 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 00277 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 22234 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.19 O=S(=O)([O-])C1=CC=C(I)C=C1 23783 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 26808 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 30403 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 24169 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 29418 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.21 CC(=O)C1=CC=C(C)C(Br)=C1 28652 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 27105 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 26089 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 26836 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 27650 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 27654 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 27242 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 27690 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 27138 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 27137 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 27136 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 26832 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.21 CC1=C(O)N=CC([N+](=O)[O-])=C1 30824 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.21 CC1=CC(C(=O)O)=CC=C1O 28602 [0,1,0,0,0,0|0,0,0]=1 191 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 18853 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.21 CC1=CC=C(C(=N)N)C=C1I 29274 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.21 N=C(N)C1=CC(Cl)=C(F)C=C1 20118 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.21 N=C(N)C1=CC(F)=C(Br)C=C1 20243 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.21 N=C(N)C1=CC=C(F)C(Br)=C1 20109 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 20081 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 31573 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 28729 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 29313 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 28357 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.21 NC1=C(Cl)C=C([N+](=O)[O-])C=C1 29929 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 31569 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 24532 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.21 O=C(O)C1=CC(Br)=C(O)C=C1 29089 [0,1,0,0,0,0|0,0,0]=1 205 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 29094 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 26840 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 21881 [0,1,0,0,0,0|0,0,0]=1 208 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 17497 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 27836 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 27720 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(Br)=C1 28797 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(Cl)=C1 29448 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(I)=C1 29452 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.21 OB(O)C1=CC=C(Cl)C(Cl)=C1 28466 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.22 CC1=CC=C(C(=O)C#N)C=C1 19478 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 30849 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 25958 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.22 CC1=CC=C(C(O)CN)C=C1 23754 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 30414 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 26760 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 24955 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 30432 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 28838 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.22 COC(=O)C1=CC=C(F)C=C1 30021 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.22 COC(=O)C1=CC=C(I)C=C1 27404 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.22 COC(=O)C1=CN=C(C)C=C1 30854 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 27477 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.22 COC(=O)C1=COC(=O)C=C1 27235 [0,1,0,0,0,0|1,0,1]=3 229 B11R1.22 N#CC(=O)C1=CC=C(Cl)C=C1 18293 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.22 N#CC(=O)C1=CC=C(F)C=C1 18296 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 28481 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 23683 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.22 NCC(O)C1=CC=C(F)C=C1 23414 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.22 NCC(O)C1=CC=C(O)C=C1 30438 [0,1,0,0,0,0|1,0,1]=3 235 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 24950 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 27125 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 24437 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 26759 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 27587 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 30340 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 23039 [0,1,0,0,0,0|0,0,1]=2 242 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 23040 [0,1,0,0,0,0|0,0,1]=2 243 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29048 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 26815 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 26753 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 30402 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 24972 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 26813 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.166 CC(=O)C1=CC=C(Br)C=C1C 29316 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.166 CC(=O)C1=CC=C(C)C=C1O 24914 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.166 CC(=O)C1=CC=C(I)C=C1O 23951 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.166 CC1=C(B(O)O)C=CC(Cl)=C1 28643 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 27653 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 17475 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 28616 [0,1,0,0,0,0|0,0,0]=1 256 B11R1.166 CC1=C(C(=O)O)N=CC(Br)=C1 26218 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.166 CC1=C(C(C)C)C=CC(O)=C1 31105 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Br)=C1 27974 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.166 CC1=C([N+](=O)[O-])C=CC(F)=C1 21868 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=C1 17346 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 21902 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 26826 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.166 CC1=CC(Cl)=C(B(O)O)C=C1 28741 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 21264 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 29221 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 29907 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.166 CC1=CC(O)=CC=C1B(O)O 26171 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.166 CC1=CC(O)=NC=C1[N+](=O)[O-] 27246 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 19944 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 18665 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F 20241 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 19941 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1F 20267 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.166 N=C(N)C1=CC=C(F)C=C1Cl 20006 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.166 N=C(N)C1=CC=C(F)C=C1F 19942 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 21237 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.166 NC1=CC(Br)=C([N+](=O)[O-])C=C1 29056 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 31570 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.166 NC1=CC(Cl)=C([N+](=O)[O-])C=C1 27889 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O 21851 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 24633 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 02102 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 29881 [0,1,0,0,0,0|1,0,1]=3 284 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 28942 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 27590 [0,1,0,0,0,0|1,0,0]=2 286 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 31563 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 23268 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 31153 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 28404 [0,1,0,0,0,0|0,0,0]=1 290 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 24579 [0,1,0,0,0,0|1,0,0]=2 291 B11R1.166 O=C(O)C1=CC=C(I)C=C1Cl 28905 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(Cl)C=C1 19991 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Br)C=C1 17478 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Br)C=C1 31976 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1I 29335 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.166 O=[N+]([O-])C1=CN=C(O)C=C1Cl 26324 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 31443 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl 27366 [0,1,0,0,0,0|2,0,1]=4 299 B9R1.35 CC(=O)C1=CC=C(Br)S1 27378 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.35 CC1=CC(C(=O)O)=NO1 25497 [0,0,0,0,1,0|3,0,0]=4 301 B9R1.35 CC1=NC(C(=O)O)=CS1 17250 [0,0,0,0,1,0|3,0,0]=4 302 B9R1.35 CC1=NNC(C(=O)O)=C1 24692 [0,0,0,0,1,0|3,0,0]=4 303 B9R1.35 CN1C=CC(C(=O)O)=N1 17051 [0,0,0,0,1,0|3,0,0]=4 304 B9R1.35 NC1=NC(C(=O)O)=CS1 17055 [0,0,0,0,1,0|3,0,0]=4 305 B9R1.35 O=C(O)C1=CC=C(Br)S1 27864 [0,0,0,0,1,0|2,0,0]=3 306 B9R1.35 O=C(O)C1=CC=C(Cl)S1 27602 [0,0,0,0,1,0|2,0,0]=3 307 B9R1.35 O=C(O)C1=CN=C(Br)S1 24728 [0,0,0,0,1,0|3,0,0]=4 308 B9R1.35 O=C(O)C1=CSC(Br)=C1 30711 [0,0,0,0,1,0|2,0,0]=3 309 B9R1.35 O=C(O)C1=CSC(Br)=N1 24727 [0,0,0,0,1,0|3,0,0]=4 310 B9R1.35 O=C1C=C(C(=O)O)CC1 24056 [0,0,0,0,1,0|0,0,3]=4 311 B9R1.35 O=C1NC=C(C(=O)O)N1 17662 [0,0,0,0,1,0|2,0,1]=4 312 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 30440 [0,0,0,0,0,1|1,0,0]=2 313 B11R1.20 CC(=O)NC1=CC=C(Br)C=N1 25899 [0,0,0,0,0,1|3,0,0]=4 314 B11R1.20 CC(=O)NC1=CC=C(F)C=N1 28895 [0,0,0,0,0,1|3,0,0]=4 315 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 21980 [0,0,0,0,0,1|1,0,0]=2 316 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 20841 [0,0,0,0,0,1|3,0,0]=4 317 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 24846 [0,0,0,0,0,1|2,1,0]=4 318 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 24847 [0,0,0,0,0,1|2,1,0]=4 319 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 24848 [0,0,0,0,0,1|2,1,0]=4 320 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 02881 [0,0,0,0,0,1|2,0,0]=3 321 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 26910 [0,0,0,0,0,1|1,0,0]=2 322 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 21248 [0,0,0,0,0,1|1,0,0]=2 323 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 27878 [0,0,0,0,0,1|1,0,0]=2 324 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 21242 [0,0,0,0,0,1|0,0,0]=1 325 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 28402 [0,0,0,0,0,1|0,1,0]=2 326 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,1]=4 327 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|1,0,1]=4 328 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|1,0,1]=4 330 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|1,0,1]=4 331 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.2 O=CC1=CC=NC=C1 07252 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.2 O=CC1=CN=CN=C1 17090 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.2 O=CC1=NC=CC=C1 02023 [2,0,0,0,0,0|1,0,0]=3 335 B8R1.2 O=CC1=NC=CN=C1 17542 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|0,0,1]=3 337 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|1,0,1]=4 338 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.3 BrC1=CC=C(Br)C=C1 26734 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.3 BrC1=CC=C(Br)C=C1 29550 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.3 CC1=CC=C(F)C=C1 30018 [2,0,0,0,0,0|1,0,1]=4 342 B8R1.3 CC1=CC=C(O)C=C1 02046 [2,0,0,0,0,0|0,0,1]=3 343 B8R1.3 CC1=CN=C(O)C=C1 28671 [2,0,0,0,0,0|1,0,1]=4 344 B8R1.3 CC1=NC=C(O)C=C1 27039 [2,0,0,0,0,0|1,0,1]=4 345 B8R1.3 ClC1=CC=C(Cl)C=C1 31165 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.3 FC1=CC=C(Br)C=C1 30412 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.3 IC1=CC=C(I)C=C1 26770 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.3 NC1=CC=C(Br)C=C1 29844 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.3 NC1=CC=C(I)C=C1 27150 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.3 NC1=CC=C(O)C=N1 29569 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.3 NC1=CNC(=O)C=C1 29435 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.3 NC1=NC=C(O)C=C1 17752 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.3 OC1=CC=C(Br)C=N1 25760 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.3 OC1=CC=C(Cl)N=C1 28255 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.3 OC1=CC=C(F)C=C1 31762 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.3 OC1=CC=C(F)C=N1 29416 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.3 OC1=CN=C(Br)C=C1 28860 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.3 OC1=NC=C(Cl)C=C1 27022 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.3 OC1=NC=C(I)C=C1 25749 [2,0,0,0,0,0|2,0,0]=4 360 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.3 CCC1=CC=C(C=O)N=C1 26528 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.3 COC1=CC=C(C#N)C=C1 31327 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.3 COC1=CC=C(C=O)C=C1 24468 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.3 COC1=CC=C(CCl)C=C1 00213 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.3 COC1=CC=C(CO)C=C1 00699 [1,1,0,0,0,0|0,0,1]=3 370 B10R1.3 COC1=CC=C(NN)C=C1 21957 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.3 N#CC1=CC=C(C=O)C=C1 26879 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.3 NCC1=CC=C(CO)C=C1 17557 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.25 CC1=CC(Br)=CC=C1CO 29345 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.25 CC1=CC(Cl)=CC=C1CO 28919 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.25 CC1=CC=C(C=O)C(C)=N1 17629 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 17031 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 31160 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.25 O=CC1=CC=C(Br)C=C1O 31936 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.176 CC1=C(Br)C=CC(CO)=C1 29912 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.176 CC1=CC=C(CO)C=C1N 27832 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.176 COC1=CC(Br)=C(O)C=C1 17182 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.176 COC1=CC(N)=C(O)C=C1 24931 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.176 N#CC1=CC(O)=C(O)C=C1 27407 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.176 O=C1C=C(CO)OC=C1O 21857 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 27427 [1,1,0,0,0,0|0,0,0]=2 386 B10R1.176 O=CC1=CC(F)=C(F)C=C1 27241 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.176 O=CC1=CC(O)=C(I)C=C1 27912 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.176 O=CC1=CC(O)=C(O)C=C1 21243 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.15 COC(=O)C1=CC=CN=C1 27049 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.15 COC(=O)C1=CC=NC=C1 27058 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.15 COC(=O)C1=CC=NC=N1 24031 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.15 COC(=O)C1=NC=CC=C1 27538 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.15 NNC(=O)C1=CC=NC=C1 24518 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.15 N\C(=N/O)C1=CC=CC=N1 31357 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.15 N\C(=N/O)C1=CC=NC=C1 31360 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.15 N\C(=N\O)C1=CN=CC=C1 29137 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.15 O=C(CBr)C1=CC=CC=N1 28615 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.15 O=C(CBr)C1=CN=CC=C1 24916 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.15 O=NN([O-])C1=CC=CC=C1 24604 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [1,1,0,0,0,0|0,0,2]=4 409 B10R1.28 CC(C)(O)C1=CC=CC=C1 14408 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 24129 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.61 CC(=O)C1=C(N)C=CC=N1 17575 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.61 CC(=O)C1=CC=CN=C1Br 18013 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.61 CC(=O)C1=CC=CN=C1Cl 28803 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.61 CC(=O)C1=CC=CN=C1N 17315 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.61 CC1=C(B(O)O)C=CC=C1 24607 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.61 CC1=C(C(=O)O)C=CN=C1 17262 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.61 N=C(N)C1=CC=CC=C1Br 19996 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.61 N=C(N)C1=CC=CC=C1Cl 20015 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.61 N=C(N)C1=CC=CC=C1F 17984 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.61 NC(=O)C1=C(N)C=CC=N1 18868 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.61 NC(=O)C1=C(N)C=NC=C1 26244 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.61 NC(=O)C1=CN=CC=C1N 26283 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [1,1,0,0,0,0|1,1,0]=4 430 B10R1.61 NC1=CC=CN=C1C(=O)O 17022 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.61 NC1=CC=NC=C1C(=O)O 16977 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.61 NC1=CN=CC=C1C(=O)O 16979 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.61 NC1=CN=NC=C1C(=O)O 20373 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.61 NC1=NC=CC=C1C(=O)O 27030 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.61 NC1=NC=NC=C1C(=O)O 17477 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.61 NC1=NN=CC=C1C(=O)O 18020 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 28502 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18059 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 31560 [1,1,0,0,0,0|0,0,0]=2 440 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 28530 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 27926 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 17679 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.61 O=C(O)C1=C(F)C=CC=C1 30015 [1,1,0,0,0,0|0,0,0]=2 444 B10R1.61 O=C(O)C1=C(I)C=CC=C1 24457 [1,1,0,0,0,0|0,0,0]=2 445 B10R1.61 O=C(O)C1=C(I)C=CC=N1 28576 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.61 O=C(O)C1=C(O)C=CC=C1 01498 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.61 O=C(O)C1=C(O)C=CC=C1 30167 [1,1,0,0,0,0|0,0,0]=2 448 B10R1.61 O=C(O)C1=C(S)C=CC=C1 24480 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.61 O=C(O)C1=CC=CN=C1Cl 31902 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.61 O=C(O)C1=CC=CN=C1F 27581 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.61 O=C(O)C1=CC=NC=C1Br 17194 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.61 O=C(O)C1=CC=NC=C1I 26142 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.61 O=C(O)C1=NC=CC=C1O 24514 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 26494 [1,1,0,0,0,0|0,0,1]=3 455 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 27094 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 27099 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 02339 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.61 OB(O)C1=CC=CC=C1Br 31066 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.61 OB(O)C1=CC=CC=C1Br 31430 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 28669 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 29041 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.113 CC(=O)C1=CC=CC(C)=N1 17414 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 28308 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.113 CC(=O)C1=NC=CC(C)=C1 28572 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.113 CC1=CC=CC(C(=O)O)=C1 29915 [1,1,0,0,0,0|0,0,0]=2 471 B10R1.113 CC1=CN=CC(C(=O)O)=C1 28423 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 21732 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 32536 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 20111 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.113 N=C(N)C1=CC=CC(F)=C1 17461 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.113 N=C(N)C1=CC=CC(F)=C1 18901 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.113 N=C(N)C1=CC=CC(F)=C1 31282 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.113 NC(=O)C1=CC(N)=NC=C1 28791 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 26992 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.113 NC1=CC(B(O)O)=CC=C1 27141 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.113 NC1=CC(C(=O)O)=CC=C1 06887 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.113 NC1=CC(C(=O)O)=CC=N1 28237 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.113 NC1=CC(C(=O)O)=NC=C1 17204 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.113 NC1=NC(C(=O)O)=CC=C1 28235 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.113 NC1=NC(C(=O)O)=CC=N1 26235 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 25550 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 31561 [1,1,0,0,0,0|0,0,0]=2 491 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 28167 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.113 O=C(O)C1=CC(F)=CC=C1 30016 [1,1,0,0,0,0|0,0,0]=2 493 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 28102 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 26991 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 28522 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 18712 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.113 O=C(O)C1=CC=NC(O)=C1 17184 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.113 O=C(O)C1=CN=CC(F)=C1 17284 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 27904 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.113 O=C(O)C1=NC=CC(I)=C1 17484 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 27497 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 27106 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 21241 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 31440 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.113 OB(O)C1=CC(F)=CC=C1 31441 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31067 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31433 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.31 O=C(O)C1=CC=C(CO)O1 31899 [0,1,0,0,1,0|1,0,0]=3 509 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 17143 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 17255 [0,1,0,0,1,0|2,0,0]=4 511 B12R1.4 CC(=O)NC1=CC=C(CO)C=C1 31338 [0,1,0,0,0,1|1,0,0]=3 512 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 26881 [0,1,0,0,0,1|1,0,1]=4 513 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 30371 [0,1,0,0,0,1|1,0,0]=3 514 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 20820 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 18055 [0,1,0,0,0,1|1,0,0]=3 516 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 00044 [0,1,0,0,0,1|1,0,0]=3 517 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 27781 [0,1,0,0,0,1|0,0,0]=2 518 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 28197 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.19 CC1=CC(CC(=O)O)=CC=C1O 28947 [0,1,0,0,0,1|0,0,0]=2 520 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 21643 [0,1,0,0,0,1|0,0,0]=2 521 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 21188 [0,1,0,0,0,1|0,0,0]=2 522 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 29249 [0,1,0,0,0,1|1,0,0]=3 523 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 11758 [0,1,0,0,0,1|0,0,0]=2 524 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 26907 [0,1,0,0,0,1|1,0,0]=3 525 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 27619 [0,1,0,0,0,1|1,0,0]=3 526 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16170 [0,1,0,0,0,1|1,0,1]=4 527 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16629 [0,1,0,0,0,1|1,0,1]=4 528 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 16227 [0,1,0,0,0,1|1,0,1]=4 529 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 25944 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 29874 [0,1,0,0,0,1|2,0,0]=4 531 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 29150 [0,1,0,0,0,1|1,0,0]=3 532 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 28993 [0,1,0,0,0,1|0,0,0]=2 533 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 31182 [0,1,0,0,0,1|1,0,0]=3 534 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 30862 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 30848 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 24658 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.5 COC1=CC=C(C(O)CN)C=C1 23752 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 24865 [0,2,0,0,0,0|1,1,0]=4 539 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 27719 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 27504 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.48 CNC1=C(N)C=C(C(C)=O)C=C1 26164 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 27467 [0,2,0,0,0,0|0,0,0]=2 543 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 27409 [0,2,0,0,0,0|0,0,0]=2 544 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 31577 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 31574 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 26831 [0,2,0,0,0,0|0,0,0]=2 547 B12R1.48 COC1=CC=C(C(=O)O)C=C1C 28303 [0,2,0,0,0,0|0,0,0]=2 548 B12R1.48 COC1=CC=C(C(=O)O)C=C1F 27751 [0,2,0,0,0,0|0,0,0]=2 549 B12R1.48 COC1=CC=C(C(=O)O)C=C1I 24981 [0,2,0,0,0,0|0,0,0]=2 550 B12R1.48 COC1=CC=C(C(C)=O)C=C1I 28623 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.48 O=[N+]([O-])C1=CC(Cl)=C(CO)C=C1 23983 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 22390 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 22407 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 26839 [0,2,0,0,0,0|0,0,0]=2 555 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 27206 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.113 NCCC1=CC=C(C(=O)O)C=C1 18943 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.113 NOCC1=CC=C([N+](=O)[O-])C=C1 31366 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.113 O=C(O)C1=CC=C(CCCl)C=C1 27369 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 28605 [0,2,0,0,0,0|0,0,0]=2 560 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 31372 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.113 [N-]=[N+]=NC1=CC=C(C(=O)O)C=C1 23140 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 26842 [0,2,0,0,0,0|0,0,1]=3 563 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 31576 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 28086 [0,2,0,0,0,0|0,0,0]=2 565 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 15136 [0,2,0,0,0,0|0,0,1]=3 566 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 19861 [0,2,0,0,0,0|0,0,1]=3 567 B12R1.256 O=C(O)C1=NC=C([N+](=O)[O-])C=C1 28859 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.452 CC(=O)C1=CC=C(C#N)C=C1C 29291 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.452 CC1=C([N+](=O)[O-])C=CC(CO)=C1 27102 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 27466 [0,2,0,0,0,0|0,0,0]=2 571 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 28482 [0,2,0,0,0,0|0,0,0]=2 572 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 27891 [0,2,0,0,0,0|0,0,0]=2 573 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 17329 [0,2,0,0,0,0|0,0,0]=2 574 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 25768 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.452 COC1=CC=C(C(C)=O)C(C)=C1 29206 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.23 CS(=O)(=O)C1=CC(N)=C(O)C=C1 28391 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 28300 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 28287 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.56 O=CC1=C(O)C=CC([N+](=O)[O-])=C1 27115 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.56 O=[N+]([O-])C1=CC(CBr)=C(O)C=C1 02320 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.232 CC(=O)C1=C(O)C=C(C)C(Br)=C1 29297 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O 24644 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1O 24681 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.232 CC(=O)C1=CC(F)=C(Cl)C=C1Cl 24601 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.232 CC1=CC(C(=O)O)=C(N)C=C1Cl 18675 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(Cl)=C1 28534 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.232 O=C(O)C1=C(O)C=C(O)C(Br)=C1 26823 [0,2,0,0,0,0|0,0,0]=2 588 B12R1.232 O=C(O)C1=CC(F)=C(Cl)N=C1Cl 28413 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 27989 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 28381 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 27908 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 28231 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=C1 28194 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.367 COC(=O)C1=CC=C(C)C(N)=C1 27506 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.367 COC(=O)C1=CN=C(Cl)C(Cl)=C1 26100 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=C1 28974 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 32442 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.367 NNC(=O)C1=CC(N)=C(N)C=C1 27437 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.367 O=C(CBr)C1=CC=C(Cl)C(Br)=C1 29464 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 24120 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.893 O=C(O)C1=C(O)C(O)=C(O)C=C1 31493 [0,2,0,0,0,0|0,0,0]=2 602 B12R1.1005 CC(=O)C1=CC(F)=C(O)C(F)=C1 24411 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O 26834 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl 27438 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.1005 NC1=C(O)C(Cl)=CC([N+](=O)[O-])=C1 17109 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.1005 O=C(O)C1=CC(O)=C(Br)C(O)=C1 28000 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 22784 [0,2,0,0,0,0|0,0,0]=2 608 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 22939 [0,2,0,0,0,0|0,0,0]=2 609 B12R1.1005 O=[N+]([O-])C1=CC(Br)=C(O)C(Br)=C1 27114 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 26058 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 30022 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 31763 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 23251 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32525 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32526 [0,2,0,0,0,0|1,0,1]=4 616 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 17117 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 25721 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 24693 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 19006 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.1703 CCC(=O)C1=C(F)C=C(F)C=C1 24946 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=C1 28876 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N 23976 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br 19995 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.1703 COC(=O)C1=CC=C(N)C=C1C 29113 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.1703 NNC(=O)C1=C(O)C=C(O)C=C1 24657 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 25056 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.1703 O=C(CCl)C1=C(Cl)C=C(Cl)C=C1 26762 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 29051 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 26838 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.57 COC1=C(C(=O)O)C=CC(N)=C1 27910 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.57 COC1=CC(F)=CC=C1C(C)=O 24953 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O 27998 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.1000 CC1=CC(C)=C(C(=O)Cl)C(C)=C1 27363 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 24964 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.1000 NC1=CC(F)=CC(F)=C1C(=O)O 26167 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.1000 O=[N+]([O-])C1=C(O)C=C(O)C=C1O 25715 [0,2,0,0,0,0|1,0,1]=4 637 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 19127 [0,0,0,1,0,1|2,0,0]=4 638 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 21286 [0,0,0,1,0,1|2,0,0]=4 639 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 26069 [0,0,0,1,0,1|2,0,0]=4 640 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 25003 [0,0,0,1,0,1|1,0,0]=3 641 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 26121 [0,0,0,1,0,1|1,1,0]=4 642 B12R2.606 NC1=NC2=C(C=CC(O)=C2)S1 24059 [0,0,0,1,0,1|2,0,0]=4 643 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 17218 [0,0,0,1,0,1|2,0,0]=4 644 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 22024 [0,0,0,1,0,1|2,0,0]=4 645 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 21498 [0,0,0,1,0,1|1,0,0]=3 646 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 21830 [0,0,0,1,0,1|2,0,0]=4 647 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 22003 [0,0,0,1,0,1|2,0,0]=4 648 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 28613 [0,0,0,1,0,1|2,0,0]=4 649 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 21800 [0,0,0,1,0,1|1,0,0]=3 650 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 19085 [0,0,0,1,0,1|2,0,0]=4 651 B12R2.606 O=C1NC2=C(C=C(O)C=C2)O1 24712 [0,0,0,1,0,1|0,0,0]=2 652 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 26067 [0,0,0,1,0,1|2,0,0]=4 653 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 27747 [0,0,0,1,0,1|2,0,0]=4 654 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 26068 [0,0,0,1,0,1|2,0,0]=4 655 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 28331 [0,0,0,1,0,1|0,1,0]=3 656 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 30815 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.612 NC1=NOC2=CC(Br)=CC=C21 23843 [0,1,0,1,0,0|2,0,0]=4 658 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 24606 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 27603 [0,1,0,1,0,0|2,0,0]=4 660 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 21251 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 26295 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.612 O=C1COC2=C1C=CC(O)=C2 31269 [0,1,0,1,0,0|0,0,0]=2 663 B12R2.612 O=C1COC2=CC(Br)=CC=C12 19192 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 18132 [0,1,0,1,0,0|1,0,0]=3 665 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 31315 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.1 O=CC1=CC(I)=CN1 26177 [1,0,0,0,1,0|2,0,0]=4 667 B8R1.1 O=CC1=CC=C(Br)S1 17121 [1,0,0,0,1,0|2,0,0]=4 668 B8R1.7 CC(=O)C1=CC=CO1 29786 [1,0,0,0,1,0|2,0,0]=4 669 B8R1.7 CC(=O)C1=CSC=C1 26949 [1,0,0,0,1,0|2,0,0]=4 670 B8R1.7 O=C(O)C1=CC=CN1 24486 [1,0,0,0,1,0|1,0,0]=3 671 B8R1.7 O=C(O)C1=CC=CO1 31538 [1,0,0,0,1,0|1,0,0]=3 672 B8R1.7 O=C(O)C1=CC=NN1 17336 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.7 O=C(O)C1=CN=CO1 17808 [1,0,0,0,1,0|2,0,0]=4 674 B8R1.7 O=C(O)C1=CN=CS1 17129 [1,0,0,0,1,0|2,0,0]=4 675 B8R1.7 O=C(O)C1=CNC=N1 29769 [1,0,0,0,1,0|2,0,0]=4 676 B8R1.7 O=C(O)C1=COC=C1 26942 [1,0,0,0,1,0|1,0,0]=3 677 B8R1.7 O=C(O)C1=COC=N1 17539 [1,0,0,0,1,0|2,0,0]=4 678 B8R1.7 O=C(O)C1=CON=C1 18200 [1,0,0,0,1,0|2,0,0]=4 679 B8R1.7 O=C(O)C1=CSC=C1 16738 [1,0,0,0,1,0|1,0,0]=3 680 B8R1.7 O=C(O)C1=CSC=C1 26948 [1,0,0,0,1,0|1,0,0]=3 681 B8R1.7 O=C(O)C1=CSC=N1 17027 [1,0,0,0,1,0|2,0,0]=4 682 B8R1.7 O=C(O)C1=NC=CO1 19468 [1,0,0,0,1,0|2,0,0]=4 683 B8R1.7 O=C(O)C1=NC=CS1 17814 [1,0,0,0,1,0|2,0,0]=4 684 B8R1.7 O=C(O)C1=NOC=C1 17364 [1,0,0,0,1,0|2,0,0]=4 685 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [1,0,0,0,0,1|2,0,0]=4 686 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [1,0,0,0,0,1|2,0,0]=4 687 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [1,0,0,0,0,1|1,0,0]=3 688 B10R1.18 CC(=O)NC1=NC=CC=C1 27479 [1,0,0,0,0,1|2,0,0]=4 689 B10R1.18 O=C(O)CC1=CC=CN=C1 27783 [1,0,0,0,0,1|1,0,0]=3 690 B10R1.18 O=C(O)CC1=CC=NC=C1 28780 [1,0,0,0,0,1|1,0,0]=3 691 B10R1.18 S=C(Cl)OC1=CC=CC=C1 26924 [1,0,0,0,0,1|1,1,0]=4 692 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 26066 [0,0,0,0,0,2|2,0,0]=4 693 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 25777 [0,0,0,0,0,2|1,0,0]=3 694 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 29066 [0,0,0,0,0,2|1,0,0]=3 695 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 25775 [0,0,0,0,0,2|1,0,0]=3 696 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 25776 [0,0,0,0,0,2|1,0,0]=3 697 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 05284 [0,0,0,0,0,2|0,0,0]=2 698 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 01471 [0,0,0,0,0,2|1,0,0]=3 699 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 24940 [0,0,0,0,0,2|1,0,0]=3