0 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] LN00335623 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O LN00115884 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] LN00150310 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N AC180027 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 AC511182 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 CC(=O)C1=CN=C(C=C1)OC LN00220760 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.3 COC1=CC=C(C=C1)B(O)O AC180419 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.3 COC1=CC=C(C=N1)B(O)O LN00005621 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 COC1=CC=C(C=N1)C(N)=O AC040095 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.3 COC1=CN=C(C=C1)C(O)=O AC500082 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.3 COC1=CN=C(C=N1)C(=O)O LN00011206 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.3 COC1=NC=C(C=C1)B(O)O AC510374 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.3 COC1=NC=C(C=C1)C(C)=O AC510693 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.3 COC1=NC=C(C=C1)C(O)=O AC511139 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.3 COC1=NC=C(C=N1)B(O)O AC511048 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.3 CSC1=CC=C(C=C1)B(O)O AC090245 [0,0,0,0,0,0|1,1,1]=3 16 B11R1.3 CSC1=NC=C(C=N1)C(O)=O AC070104 [0,0,0,0,0,0|2,1,0]=3 17 B11R1.3 NC(=N)C1=CC=C(C=C1)C#N AC360001 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.3 NCC1=CC=C(C=C1)C(O)=O HY-B1258 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.3 NNC1=CC=C(C=C1)[N+]([O-])=O AC511770 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.3 NNC1=NC=C(C=C1)C(O)=O AC181712 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.3 OB(O)C1=CC=C(C=C)C=C1 AC310132 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.3 OB(O)C1=CC=C(C=C1)C#N AC020052 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.3 OB(O)C1=CC=C(C=O)C=C1 AC500008 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 AC090194 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.3 OC(=O)C1=CC=C(C=C)C=C1 AC510627 [0,0,0,0,0,0|1,0,1]=2 26 B11R1.3 OC(=O)C1=CC=C(C=C1)C#C AC500166 [0,0,0,0,0,0|1,0,1]=2 27 B11R1.3 OC(=O)C1=CC=C(C=O)C=C1 AC510882 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.3 OC(=O)C1=CC=C(N=C1)C#N AC181213 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.3 OCC1=CC=C(C=C1)B(O)O AC090183 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.3 OCC1=CC=C(C=C1)C(O)=O AC511649 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.3 OCC1=CC=C(C=C1)[N+]([O-])=O AC511761 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.3 [O-][N+](=O)C1=CC=C(C=C)C=C1 AC270041 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.3 [O-][N+](=O)C1=CC=C(C=C1)C#C AC511032 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.3 [O-][N+](=O)C1=CC=C(C=O)C=C1 AC510508 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.3 C#CC1=CC=C(C=C1)C=O LN00221032 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.3 CCC1=CC=C(C=C1)C#C AC310127 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.3 CCC1=CC=C(NN)C=C1 AC181336 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.3 CNC1=CC=C(C=C1)C#N AC180317 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.3 CNC1=CC=C(OC)C=C1 AC510861 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.3 COC1=CC=C(C=C1)C#C AC190261 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.3 COC1=CC=C(C=O)C=C1 AC500184 [1,0,0,0,0,0|0,0,0]=1 42 B10R1.3 COC1=CC=C(C=O)C=N1 AC181500 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.3 COC1=CC=C(CBr)C=C1 AC130033 [1,0,0,0,0,0|1,0,1]=3 44 B10R1.3 COC1=CC=C(CCl)C=C1 AC131684 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.3 COC1=CC=C(CN)C=C1 AC290030 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.3 COC1=CC=C(NN)C=C1 AC511584 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.3 COC1=CN=C(CO)C=C1 AC511257 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.3 COC1=NC=C(C=O)C=N1 AC181682 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.3 COC1=NC=C(NN)C=C1 AC511963 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.3 NCC1=CC=C(CO)C=C1 AC181947 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.3 NCC1=CC=C(CO)C=C1 AC182460 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.3 O=CC1=CC=C(C=C1)C#C AC310104 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.3 O=CC1=CC=C(C=C1)C#N AC180061 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.3 OCC1=CC=C(C=C1)C#C AC070103 [1,0,0,0,0,0|1,0,2]=4 55 B10R1.3 OCC1=CC=C(C=C1)C#N AC190078 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.3 OCC1=CC=C(C=O)C=C1 AC511200 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.3 OCC1=CC=C(CCl)C=C1 AC050979 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O LN00159009 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.13 C1=C(C=CC(=C1)I)B(O)O LN00008579 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.13 C1=C(C=CC(=C1)O)B(O)O LN00138842 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.13 C1=CC(=NC=C1Br)C(=O)O LN00009289 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 C1=NC(=CN=C1C(=O)O)Br LN00171312 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.13 C1=NC(=CN=C1C(=O)O)N LN00159244 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 AC511499 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AC181609 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC182130 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 CC(=O)C1=CN=C(C=C1)Br LN00170457 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 AC181883 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.13 CC1=CC=C(C=C1)B(O)O AC500015 [1,0,0,0,0,0|1,0,1]=3 75 B10R1.13 CC1=CC=C(C=C1)C(O)=O AC190159 [1,0,0,0,0,0|0,0,0]=1 76 B10R1.13 CC1=CC=C(C=C1)S([O-])=O AC510965 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.13 CC1=CN=C(C=C1)C(O)=O AC181304 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.13 CC1=CN=C(C=C1)[N+]([O-])=O AC180941 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.13 CC1=NC=C(C=C1)B(O)O AC190074 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 CC1=NC=C(C=C1)[N+]([O-])=O AC181800 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 CC1=NC=C(C=N1)C(=O)O LN00156992 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.13 CC1=NN=C(C=C1)C(O)=O AC182475 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.13 CN(C)C1=CC=C(C=C1)O LN00220688 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.13 NC(=N)C1=CC=C(Br)C=C1 AC181036 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.13 NC(=N)C1=CC=C(Cl)C=C1 AC180714 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 NC(=N)C1=CC=C(N)C=C1 AC511622 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AC190321 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.13 NC(=O)C1=CC=C(F)C=C1 AC511804 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 AC180441 [1,0,0,0,0,0|2,1,0]=4 90 B10R1.13 NC1=CC=C(C=C1)B(O)O AC090205 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 NC1=CC=C(C=C1)C(O)=O HY-B1008 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.13 NC1=CC=C(N=C1)C(O)=O AC181509 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 NC1=NC=C(C=N1)C(O)=O AC181924 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.13 NC1=NN=C(C=C1)C(O)=O AC181995 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.13 OB(O)C1=CC=C(Br)C=C1 AC500010 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 AC180418 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.13 OB(O)C1=CC=C(F)C=C1 AC180417 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.13 OB(O)C1=CC=C(I)C=C1 AC181226 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.13 OB(O)C1=CC=C(O)C=C1 AC181172 [1,0,0,0,0,0|1,0,1]=3 100 B10R1.13 OB(O)C1=CC=C(O)N=C1 AC190026 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.13 OC(=O)C1=CC=C(Br)C=N1 AC180939 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AC181373 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 OC(=O)C1=CC=C(Cl)N=C1 AC180144 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 OC(=O)C1=CC=C(F)N=C1 AC512097 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 OC(=O)C1=CC=C(I)C=C1 AC510881 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.13 OC(=O)C1=CC=C(O)C=C1 AC190218 [1,0,0,0,0,0|0,0,0]=1 107 B10R1.13 OC(=O)C1=CC=C(O)C=N1 AC181066 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.13 OC(=O)C1=CC=C(O)N=C1 AC180148 [1,0,0,0,0,0|1,0,0]=2 109 B10R1.13 OC(=O)C1=NC=C(Br)C=N1 AC511903 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 OC(=O)C1=NC=C(Cl)C=C1 AC510981 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 OC(=O)C1=NC=C(F)C=C1 AC181804 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.13 OC(=O)C1=NC=C(O)N=C1 HY-76210 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 OC(=O)C1=NN=C(Cl)C=C1 AC511081 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.13 OC1=CC=C(C=C1)C(F)F AC512172 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.13 [O-][N+](=O)C1=CC=C(F)C=C1 AC500316 [1,0,0,0,0,0|2,0,1]=4 116 B12R1.5 BrCC(=O)C1=CC=C(C=C1)C#N AC360009 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C AC310128 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.5 COC(=O)C1=CC=C(C=C1)[N+]#[C-] AC010267 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 AC511035 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 AC500270 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 AC170086 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 AC200104 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 AC181062 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.6 COC1=CC=C(C=C1)C(F)(F)F AC181552 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.6 COC1=CC=C(C=C1)S(Cl)(=O)=O AC190209 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.48 CC1=CC(=CC=C1C#N)C(O)=O AC182737 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.48 COC1=CC=C(C=C1Br)C(O)=O AC180347 [0,1,0,0,0,0|0,0,0]=1 128 B12R1.48 COC1=CC=C(C=C1Cl)B(O)O AC090091 [0,1,0,0,0,0|1,0,1]=3 129 B12R1.48 COC1=CC=C(C=C1O)C(C)=O AC180841 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.113 C1=C(C=CC(=C1)[N+](=O)[O-])CCO LN00220168 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.113 CCCC1=CC=C(C=C1)B(O)O AC511490 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.113 CCCC1=CC=C(C=C1)B(O)O LN00173314 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.113 CCOC1=CC=C(C=C1)B(O)O AC511606 [0,1,0,0,0,0|1,0,1]=3 134 B12R1.113 OCCC1=CC=C(C=C1)[N+]([O-])=O AC021025 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.256 CC(=O)C1=CC=C(C=C1)B(O)O AC090071 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.256 CC(=O)C1=CC=C(C=C1)C(O)=O AC180046 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O AC090079 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.256 CC(C)C1=CC=C(C=C1)C(O)=O AC510822 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.256 C[C@@H](N)C1=CC=C(C=C1)C(O)=O AC021020 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.256 C[C@@H](N)C1=CC=C(C=C1)C(O)=O AC050234 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.256 C[C@H](N)C1=CC=C(C=C1)C(O)=O AC050466 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.256 C[C@H](N)C1=CC=C(C=C1)[N+]([O-])=O AC021030 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.256 NC(=O)C1=CC=C(C=C1)B(O)O AC070091 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.256 OB(O)C1=CC=C(C=C1)C(O)=O AC510652 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.256 OC(=O)C1=CN=C(C=C1)[N+]([O-])=O AC181801 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.256 OC(=O)C1=NC=C(C=C1)[N+]([O-])=O AC510722 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.452 COC1=CC(=C(C=C1)B(O)O)F LN00010048 [0,1,0,0,0,0|1,0,1]=3 148 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])Cl LN00221221 [0,1,0,0,0,0|1,0,1]=3 149 B12R1.452 COC1=CC(Cl)=C(C=C1)B(O)O AC181624 [0,1,0,0,0,0|1,0,1]=3 150 B12R1.452 COC1=CC(F)=C(C=C1)B(O)O AC511540 [0,1,0,0,0,0|1,0,1]=3 151 B12R1.452 COC1=CC(F)=C(C=C1)C(O)=O AC181047 [0,1,0,0,0,0|0,0,0]=1 152 B12R1.452 COC1=CC(F)=C(C=C1)[N+]([O-])=O AC181836 [0,1,0,0,0,0|1,0,1]=3 153 B12R1.452 COC1=CC(N)=C(C=C1)C(O)=O AC181072 [0,1,0,0,0,0|0,0,0]=1 154 B12R1.452 COC1=CC=C(B(O)O)C(C)=C1 AC181508 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 HY-N0159 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.452 COC1=CC=C(C(N)=C1)[N+]([O-])=O AC021255 [0,1,0,0,0,0|1,0,1]=3 157 B12R1.452 COC1=CC=C(C(N)=N1)[N+]([O-])=O AC181599 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.452 COC1=CC=C(C(O)=C1)[N+]([O-])=O AC010331 [0,1,0,0,0,0|1,0,1]=3 159 B12R1.452 COC1=NC=C(C(C)=C1)[N+]([O-])=O AC181574 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.452 OC(=O)C1=CC=C(C=C1F)C#N AC511542 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.31 CCC1=CSC(=N1)C(O)=O AC511335 [0,0,0,0,1,0|3,0,0]=4 162 B10R1.31 OC(=O)C1=CC=C(O1)C=O AC511250 [0,0,0,0,1,0|3,0,0]=4 163 B10R1.31 OCC1=CC=C(O1)C(O)=O AC511228 [0,0,0,0,1,0|3,0,0]=4 164 B12R1.4 CCC1=CC=C(C=C1)CC(=O)C LN02141449 [0,0,0,0,0,1|2,0,0]=3 165 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 AC180232 [0,0,0,0,0,1|1,0,0]=2 166 B12R1.4 COC1=CC=C(CC(N)=N)C=C1 AC030199 [0,0,0,0,0,1|2,0,0]=3 167 B12R1.4 COC1=CC=C(CC(O)=O)C=C1 AC200110 [0,0,0,0,0,1|0,0,0]=1 168 B12R1.4 COC1=CN=C(CC(O)=O)C=C1 AC200024 [0,0,0,0,0,1|1,0,0]=2 169 B12R1.4 OC(=O)CC1=CC=C(C=C1)C#N AC511054 [0,0,0,0,0,1|2,0,0]=3 170 B12R1.4 OCC1=CC=C(CC(O)=O)C=C1 AC190292 [0,0,0,0,0,1|2,0,0]=3 171 B9R1.1 BC1=CC=C(OC)C=C1 AC090165 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.1 BrC1=CC=C(C=C)C=C1 AC500252 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 BrC1=CC=C(C=O)C=C1 AC130129 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.1 BrC1=CC=C(C=O)C=N1 AC181833 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.1 BrC1=CC=C(C=O)N=C1 AC181786 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 C1=C(C=CC(=C1)I)CO LN00140802 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.1 CC1=CC=C(C=C1)C#C AC310130 [2,0,0,0,0,0|1,0,1]=4 178 B9R1.1 CC1=CC=C(C=O)C=C1 AC131766 [2,0,0,0,0,0|0,0,0]=2 179 B9R1.1 CC1=CC=C(C=O)C=N1 AC100063 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.1 CC1=CC=C(C=O)N=C1 AC511100 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.1 CC1=CC=C(CO)C=N1 AC100103 [2,0,0,0,0,0|1,0,1]=4 182 B9R1.1 CC1=CC=C(NN)C=C1 AC510908 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 CC1=NC=C(C=O)C=N1 AC190110 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 COC1=CC=C(Br)C=N1 AC130157 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 COC1=CC=C(I)C=C1 AC190049 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.1 COC1=CC=C(I)C=N1 AC070095 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.1 COC1=CC=C(N)N=C1 AC182126 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [2,0,0,0,0,0|0,0,0]=2 189 B9R1.1 COC1=CC=C(S)C=C1 AC130236 [2,0,0,0,0,0|0,1,0]=3 190 B9R1.1 COC1=CN=C(Cl)C=C1 AC511217 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 COC1=CNC(=N)C=C1 LN00175109 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.1 COC1=NC=C(Br)C=C1 AC130150 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 COC1=NC=C(C)C=C1 AC182341 [2,0,0,0,0,0|1,0,1]=4 194 B9R1.1 COC1=NC=C(Cl)C=C1 AC070111 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 COC1=NC=C(N)C=C1 AC180146 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 COC1=NC=C(O)C=C1 AC511210 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.1 COC1=NC=C(O)C=N1 AC040104 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [2,0,0,0,0,0|0,1,0]=3 199 B9R1.1 ClC1=CC=C(C=O)C=N1 AC020051 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 ClC1=CN=C(C=O)C=C1 AC182265 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 FC1=CC=C(C=O)C=C1 AC131767 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.1 FC1=CN=C(C=O)C=C1 AC511176 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.1 FC1=NC=C(C=O)C=C1 AC511039 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.1 IC1=CC=C(C=O)C=C1 AC180421 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.1 NC1=CC=C(CO)C=C1 AC510886 [2,0,0,0,0,0|1,0,1]=4 206 B9R1.1 NCC1=CC=C(O)C=C1 AC190229 [2,0,0,0,0,0|1,0,1]=4 207 B9R1.1 OC1=CC=C(C=C1)C#N AC190204 [2,0,0,0,0,0|1,0,1]=4 208 B9R1.1 OC1=CC=C(C=O)C=C1 AC130039 [2,0,0,0,0,0|0,0,0]=2 209 B9R1.1 OC1=CC=C(C=O)C=N1 AC511193 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.1 OC1=CN=C(C=O)C=C1 AC511243 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.1 OCC1=CC=C(Br)C=C1 AC190199 [2,0,0,0,0,0|1,0,1]=4 212 B9R1.1 OCC1=CC=C(Cl)C=C1 AC190200 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.1 OCC1=CC=C(I)C=C1 AC511569 [2,0,0,0,0,0|1,0,1]=4 214 B9R1.1 OCC1=NC=C(O)C=C1 AC512020 [2,0,0,0,0,0|1,0,1]=4 215 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [2,0,0,0,0,0|1,0,1]=4 219 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.6 OB(O)C1=CC=CC=C1 AC130043 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.6 OC(=O)C1=CC=CN=C1 AC510862 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.6 OC(=O)C1=CC=CN=C1 HY-B0143 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.6 OC(=O)C1=CC=NN=C1 AC180268 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.6 OC(=O)C1=CN=CN=C1 AC020529 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.6 OC(=O)C1=NC=CC=C1 AC190264 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.6 OC(=O)C1=NC=CC=N1 AC181135 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.6 OC(=O)C1=NC=CN=C1 AC021096 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.6 OC(=O)C1=NC=NC=C1 AC180734 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.6 OC(=O)C1=NN=CC=C1 AC511154 [2,0,0,0,0,0|2,0,0]=4 231 B11R1.83 CCOC1=CC=C(C=C1)C=O LN00173935 [1,1,0,0,0,0|0,0,0]=2 232 B11R1.83 CNCC1=CC=C(C=C1)OC LN00008541 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.83 CNCC1=CC=C(OC)C=C1 AC100011 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.83 CNCC1=CC=C(OC)C=C1 AC100039 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.83 COC1=CC=C(/C=C/C)C=C1 HY-B0900 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.83 COC1=CC=C(C=C1)CC=O LN00180813 [1,1,0,0,0,0|0,0,0]=2 237 B11R1.83 COC1=CC=C(CC#N)C=C1 AC180030 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.83 COC1=CC=C(CCO)C=C1 AC190174 [1,1,0,0,0,0|0,0,1]=3 239 B11R1.83 COC1=CC=C(CNN)C=C1 AC511322 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.83 COC1=CC=C(CON)C=C1 AC280067 [1,1,0,0,0,0|0,0,1]=3 241 B11R1.279 CC1=C(C=CC(C=O)=C1)C#N AC010159 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.279 CCC1=CC(=C(C=C1)OC)N LN01815981 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 AC180321 [1,1,0,0,0,0|0,0,0]=2 244 B11R1.279 COC1=CC(=C(C=C1)C=O)F LN00118727 [1,1,0,0,0,0|0,0,0]=2 245 B11R1.279 COC1=CC(=C(C=C1)NN)F LN00188698 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.279 COC1=CC(F)=C(C=O)C=C1 AC130276 [1,1,0,0,0,0|0,0,0]=2 247 B11R1.279 COC1=CC(O)=C(C=O)C=C1 AC130121 [1,1,0,0,0,0|0,0,0]=2 248 B11R1.279 COC1=CC=C(C=C1F)C#N AC180894 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.279 COC1=CC=C(C=C1O)C#N AC181461 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.279 COC1=CC=C(C=O)C(Br)=C1 AC510769 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.279 COC1=CC=C(C=O)C(C)=C1 AC511722 [1,1,0,0,0,0|0,0,0]=2 252 B11R1.279 COC1=CC=C(C=O)C=C1Cl AC511088 [1,1,0,0,0,0|0,0,0]=2 253 B11R1.279 FC1=CC(=CC=C1C=O)C#N AC511156 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O LN00194072 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.19 CC1=CC=C(C=C1)S(Cl)(=O)=O AC190162 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC021526 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC050314 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC051052 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC130238 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.19 CC1=CC=C(C=C1)S([O-])(=O)=O AC190158 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br LN00009079 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O LN01360918 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 AC180895 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.21 CC(=O)C1=CC=C(F)C(Cl)=C1 AC511644 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.21 CC(=O)C1=CC=C(F)C(F)=C1 AC511682 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 AC160576 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.21 CC1=C(Br)C=C(C=C1)[N+]([O-])=O AC511797 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.21 CC1=C(Br)C=CC(=C1)C(O)=O AC180420 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)I LN01356961 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I LN00009376 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.21 CC1=C(C=C(C=N1)C(=O)O)Br LN01322628 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.21 CC1=C(F)C=C(C=C1)C(O)=O AC180041 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.21 CC1=C(F)C=CC(=C1)C(O)=O AC510753 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.21 CC1=CC(=CC=C1O)C(O)=O AC180983 [1,1,0,0,0,0|0,0,0]=2 275 B11R1.21 CC1=CC(=CN=C1O)C(=O)O LN00279505 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.21 CC1=CC(=NC=C1Br)C(O)=O AC182131 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.21 CC1=CC=C(C=C1Br)C(O)=O AC511792 [1,1,0,0,0,0|0,0,0]=2 278 B11R1.21 CC1=CC=C(C=C1C)B(O)O AC090180 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.21 CC1=CC=C(C=C1O)[N+]([O-])=O AC511728 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.21 CC1=NC=C(C=C1Br)C(O)=O AC050264 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.21 CC1=[N+]([O-])C=C(N=C1)C(O)=O HY-B0283 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.21 FC1=C(F)C=C(C=C1)C(Cl)=O AC021119 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.21 NC1=C(N)C=C(C=C1)C(O)=O AC200130 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.21 NC1=CC=C(C=C1F)C(O)=O AC511703 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.21 NC1=CC=C(C=C1O)C(O)=O AC180334 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 AC511884 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.21 OC(=O)C1=CC(Br)=C(F)C=C1 AC511159 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.21 OC(=O)C1=CC(Cl)=C(Cl)N=C1 AC510765 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.21 OC(=O)C1=CC(Cl)=C(F)C=C1 AC511282 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.21 OC(=O)C1=CC(F)=C(Cl)N=C1 AC010390 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.21 OC(=O)C1=CC(F)=C(I)C=C1 AC182155 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.21 OC(=O)C1=CC=C(Br)C(F)=C1 AC181079 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.21 OC(=O)C1=CC=C(Br)C(O)=C1 AC182195 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.21 OC(=O)C1=CC=C(Cl)C(O)=C1 AC511937 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.21 OC(=O)C1=CC=C(I)C(O)=C1 AC131761 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.21 OC(=O)C1=CC=C(O)C(O)=C1 HY-N0294 [1,1,0,0,0,0|0,0,0]=2 297 B11R1.21 OC(=O)C1=CN=C(Cl)C(Br)=C1 AC181372 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.21 OC(=O)C1=CN=C(O)C(Cl)=C1 AC180523 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.21 OC(=O)C1=CNC(=O)C(Br)=C1 AC182236 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.21 OC(=O)C1=NC(Br)=C(F)C=C1 AC020158 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.21 OC1=C(F)C=C(C=C1)[N+]([O-])=O AC511058 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.21 OC1=CC=C(C=C1Br)[N+]([O-])=O AC511741 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.22 C1=C(C=CC(=C1)Br)C(=O)CN LN00146620 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.22 C1=C(C=CC(=C1)F)C(=O)NN LN00116928 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr AC500028 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.22 CC1=CC=C(C=C1)[C@@H](CO)N LN02185267 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br LN00225179 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 AC181779 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 AC181863 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AC021180 [1,1,0,0,0,0|0,0,0]=2 311 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 AC190192 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.22 COC(=O)C1=CC=C(F)N=C1 AC510655 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.22 COC(=O)C1=CC=C(I)C=C1 AC130758 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AC500030 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.22 COC(=O)C1=CC=C(O)C=C1 AC190171 [1,1,0,0,0,0|0,0,0]=2 316 B11R1.22 COC(=O)C1=CN=C(C)C=C1 AC021708 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.22 COC(=O)C1=CN=C(N)C=C1 AC181104 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.22 COC(=O)C1=NC=C(C)C=N1 AC051089 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 AC512123 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.22 COC(=O)C1=NC=C(N)C=C1 AC160157 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.22 FC1=CC=C(C=C1)C(=O)CBr AC510754 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 AC512178 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.22 NCC(O)C1=CC=C(O)C=C1 HY-B0528A [1,1,0,0,0,0|1,0,1]=4 324 B11R1.22 O/N=C(\Cl)C1=CC=C(Br)C=C1 AC050902 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O LN00008566 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.166 C1=CC(=C(C=C1O)Br)C(=O)O LN01038895 [1,1,0,0,0,0|0,0,0]=2 327 B11R1.166 C1=CC(=C(C=C1O)F)[N+](=O)[O-] LN00116278 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl LN01796470 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 AC220119 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.166 CC(=O)C1=CC=C(Br)C=C1O AC181677 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br AC511164 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl AC500263 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.166 CC(=O)C1=CC=C(N)C=C1O AC511889 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.166 CC(=O)C1=CC=C(O)C=C1F AC021126 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.166 CC1=C(N=CC(Br)=C1)C(O)=O AC182133 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.166 CC1=CC(Br)=CC=C1C(O)=O AC250047 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.166 CC1=CC(Cl)=C(C=C1)[N+]([O-])=O AC181490 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.166 CC1=CC(Cl)=CN=C1C(O)=O AC182134 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.166 CC1=CC(F)=C(C=C1)C(O)=O AC181531 [1,1,0,0,0,0|0,0,0]=2 340 B11R1.166 CC1=CC(F)=C(C=C1)[N+]([O-])=O AC180188 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.166 CC1=CC(N)=CC=C1C(O)=O AC181976 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.166 CC1=CC(O)=C(C=N1)C(O)=O AC181761 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.166 CC1=CC(O)=CC=C1B(O)O AC090175 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=C1 AC181625 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.166 CC1=CC=C(B(O)O)C(F)=C1 AC181906 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.166 CC1=CC=C(C(O)=O)C(Br)=C1 AC511793 [1,1,0,0,0,0|0,0,0]=2 347 B11R1.166 CC1=CC=C(C(O)=O)C(Cl)=N1 AC020050 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.166 CC1=CC=C(C(O)=O)C(N)=C1 AC511862 [1,1,0,0,0,0|0,0,0]=2 349 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)C LN00181449 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)Cl LN00131032 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N AC182388 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.166 NC1=C(C=CC(Cl)=C1)C(O)=O AC180214 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.166 NC1=C(C=CC(Cl)=N1)C(O)=O AC020633 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.166 NC1=CC(Br)=CC=C1C(O)=O AC181692 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.166 NC1=CC(Cl)=C(C=C1)C(O)=O AC511619 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.166 NC1=CC(I)=CC=C1C(O)=O AC182459 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.166 NC1=CC=C(C(O)=O)C(F)=C1 AC511347 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.166 NC1=CC=C(C(O)=O)C(O)=C1 HY-B1048 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.166 OC(=O)C1=C(Br)C=C(Cl)C=C1 AC181078 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.166 OC(=O)C1=C(Br)C=C(F)C=C1 AC180537 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.166 OC(=O)C1=C(Br)N=C(F)C=C1 AC050995 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.166 OC(=O)C1=C(Cl)C=C(Cl)C=C1 AC510802 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.166 OC(=O)C1=C(Cl)C=C(F)C=C1 AC200135 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=C1 AC511019 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.166 OC(=O)C1=C(F)C=C(Cl)C=C1 AC510774 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.166 OC(=O)C1=C(F)C=C(F)C=C1 AC180271 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.166 OC(=O)C1=C(F)C=C(I)C=C1 AC181546 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.166 OC(=O)C1=C(F)N=C(Br)C=C1 AC050280 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.166 OC(=O)C1=C(O)C=C(Br)C=C1 AC500228 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.166 OC(=O)C1=CC=C(Br)C=C1Cl AC180439 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.166 OC(=O)C1=CC=C(Cl)C=C1I AC511491 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.166 OC(=O)C1=CC=C(Cl)N=C1Cl AC180623 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.166 OC(=O)C1=CC=C(F)C=C1O AC511669 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.166 OC(=O)C1=CC=C(O)C=C1F AC181201 [1,1,0,0,0,0|0,0,0]=2 375 B11R1.166 OC(=O)C1=CN=C(Br)C=C1Cl AC050221 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.166 OC(=O)C1=CN=C(Cl)C=C1Cl AC180938 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.166 OC(=O)C1=CN=C(O)N=C1O AC180624 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.166 OC(=O)C1=NC=C(Br)C=C1Cl AC182704 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.166 OC(=O)C1=NC=C(Cl)C=C1Cl AC181600 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.166 OC(=O)C1=NC=C(F)C=C1F AC510952 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.166 OC1=CC=C(C(Br)=C1)[N+]([O-])=O AC182511 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.166 OC1=CC=C(C(I)=C1)[N+]([O-])=O AC512128 [1,1,0,0,0,0|1,0,1]=4 383 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 AC511118 [0,1,0,0,0,1|2,0,0]=4 384 B13R1.35 COC1=C(C)C=C(CC(O)=O)C=C1 AC130196 [0,1,0,0,0,1|0,0,0]=2 385 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Br LN00117216 [0,1,0,0,0,1|0,0,0]=2 386 B13R1.35 COC1=CC=C(CC(O)=O)C=C1O AC180326 [0,1,0,0,0,1|0,0,0]=2 387 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)O LN00223754 [0,1,0,0,0,1|0,0,0]=2 388 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 HY-B0476 [0,1,0,0,0,1|1,0,0]=3 389 B13R1.585 OC(=O)CC1=CC=C(C=C1)C(O)=O AC181174 [0,1,0,0,0,1|2,0,0]=4 390 B13R1.585 OC(=O)CC1=CC=C(C=C1)[N+]([O-])=O AC130194 [0,1,0,0,0,1|2,0,0]=4 391 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)Cl LN00142427 [0,1,0,0,0,1|0,0,0]=2 392 B13R1.95 COC(=O)C1=C(C)C=C(C=C1)C#N AC030002 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.95 COC(=O)C1=C(C)C=C(CBr)C=C1 AC100002 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.95 COC(=O)C1=CC=C(CBr)C=C1F AC060029 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.95 COC(=O)C1=CC=C(OC)C=C1O AC511107 [0,2,0,0,0,0|0,0,0]=2 396 B13R1.139 COC(=O)C1=CC=C(CCN)C=C1 AC182196 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.139 COC(=O)C1=CC=C(NC=O)C=C1 AC010223 [0,2,0,0,0,0|1,0,1]=4 398 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#C AC100003 [0,2,0,0,0,0|1,0,1]=4 399 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#N AC180026 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 AC170040 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.452 CCOC(=O)C1=NC=C(N=C1)OC LN00337529 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.452 COC1=CC=C(C=C1)C(N)CCO AC181361 [0,2,0,0,0,0|1,0,1]=4 403 B13R1.537 CC(NN)C1=CC=C(C=C1)C(O)=O AC020171 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.537 COC(=O)C1=CC=C(C=C1)B(O)O AC190070 [0,2,0,0,0,0|1,0,1]=4 405 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=N)N LN01872017 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.537 COC(=O)C1=CC=C(C=C1)C(C)=O AC020858 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.537 COC(=O)C1=CC=C(C=C1)C(C)N AC050663 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.537 COC(=O)C1=CC=C(C=C1)C(O)=O AC511554 [0,2,0,0,0,0|0,0,0]=2 409 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@@H](C)N AC020031 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AC050467 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AC050672 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.537 COC(=O)C1=CN=C(C=C1)C(O)=O AC511078 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.3088 COC(=O)C1=CC=C(C#N)C(F)=C1 AC051130 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.3088 COC(=O)C1=CC=C(CBr)C(Cl)=C1 AC512155 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.3088 COC(=O)C1=CC=C(CBr)C(F)=C1 AC180992 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.3088 COC(=O)C1=CC=C(OC)C(O)=C1 AC181230 [0,2,0,0,0,0|0,0,0]=2 417 B13R1.338 C1=C(C=CC(=C1)S(=O)(=O)Cl)C(=O)O LN00010326 [0,2,0,0,0,0|1,1,0]=4 418 B13R1.338 CC(=O)C1=CC=C(C=C1)S(C)(=O)=O AC180384 [0,2,0,0,0,0|1,1,0]=4 419 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(O)=O AC130101 [0,2,0,0,0,0|0,1,0]=3 420 B13R1.338 NS(=O)(=O)C1=CC=C(C=C1)C(O)=O HY-B0989 [0,2,0,0,0,0|1,1,0]=4 421 B13R1.120 C1=CC(=C(C=C1C(=O)O)Cl)[N+](=O)[O-] LN00010492 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.120 C1=CC(=C(C=C1C(=O)O)F)[N+](=O)[O-] LN00009427 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.120 C1=CC(=C(C=C1[N+](=O)[O-])Br)C(=O)O LN00009184 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.120 CC1=C(C=CC(=C1)C(O)=O)C(O)=O AC310159 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.120 CC1=C(C=CC(=C1)[N+]([O-])=O)C(O)=O AC511586 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.120 CC1=CC(=CC=C1[N+](=O)[O-])C(=O)O LN00175290 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.120 NC1=C(C=CC(=C1)[N+]([O-])=O)C(O)=O AC180201 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.120 NC1=CC(=CC=C1C(O)=O)C(O)=O AC511034 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.120 OB(O)C1=CC(F)=C(C=C1)C(O)=O AC090045 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.120 OB(O)C1=CC=C(C(O)=O)C(Cl)=C1 AC070139 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.120 OC(=O)C1=C(Br)C=C(C=C1)[N+]([O-])=O AC511543 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.120 OC(=O)C1=CC(O)=C(C=C1)[N+]([O-])=O AC180192 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.120 OC(=O)C1=CC=C(C(Br)=C1)[N+]([O-])=O AC511929 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.120 OC(=O)C1=CC=C(C(F)=C1)[N+]([O-])=O AC181350 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.120 OC(=O)C1=CC=C(C=C1F)[N+]([O-])=O AC181000 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.120 OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O AC510880 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.652 COC1=C(C=C(C(=C1)Br)C(=O)O)O LN00201601 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.652 COC1=C(N)C=C(C(F)=C1)[N+]([O-])=O AC010130 [0,2,0,0,0,0|1,0,1]=4 439 B13R1.3091 COC1=C(OC)C=C(C=C1)B(O)O AC181169 [0,2,0,0,0,0|1,0,1]=4 440 B13R1.3091 COC1=CC(=CN=C1OC)C(O)=O AC060032 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.3096 COC1=CC=C(C(C)=O)C(N)=C1C AC020505 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.385 CCOC1=CC(=C(C=C1)B(O)O)F LN00140176 [0,2,0,0,0,0|1,0,1]=4 443 B13R1.99 COC1=CC(OC)=C(C=C1)B(O)O AC090053 [0,2,0,0,0,0|1,0,1]=4 444 B13R1.99 COC1=CC=C(C(C=O)=C1)[N+]([O-])=O AC511125 [0,2,0,0,0,0|1,0,1]=4 445 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)I LN00116621 [0,0,1,1,0,0|2,0,0]=4 446 B11R1.159 CC1=C(I)C(=CC=C1)C(O)=O AC510630 [0,0,1,1,0,0|2,0,0]=4 447 B11R1.159 CC1=C(O)C(=CC=C1)C(O)=O HY-B1399 [0,0,1,1,0,0|2,0,0]=4 448 B11R1.159 CC1=CC=CC(C(O)=O)=C1Br AC510821 [0,0,1,1,0,0|2,0,0]=4 449 B11R1.159 CC1=CC=CC(C(O)=O)=C1C AC021104 [0,0,1,1,0,0|1,0,1]=4 450 B11R1.159 CC1=CC=CC(C(O)=O)=C1N AC511696 [0,0,1,1,0,0|2,0,0]=4 451 B13R2.2121 CC1=CC2=CC(=CC=C2N1)OC LN00140693 [0,0,0,1,0,1|2,0,0]=4 452 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 AC130283 [0,0,0,1,0,1|1,1,0]=4 453 B13R2.2121 COC1=CC=C2C=C(I)SC2=C1 AC020688 [0,0,0,1,0,1|1,1,0]=4 454 B13R2.2121 COC1=CC=C2N=C(Br)SC2=C1 AC021706 [0,0,0,1,0,1|1,1,0]=4 455 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 HY-N0936 [0,0,0,1,0,1|0,0,0]=2 456 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 AC130247 [0,1,0,1,0,0|1,0,0]=3 457 B13R2.2130 COC1=CC=C2C(=C1)COC2=O LN01995719 [0,1,0,1,0,0|0,0,0]=2 458 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 LN00200630 [0,1,0,1,0,0|1,0,0]=3 459 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 AC020851 [0,1,0,1,0,0|1,0,0]=3 460 B13R2.430 OB(O)C1=CC=C2OCOC2=C1 AC190076 [0,1,0,1,0,0|1,0,1]=4 461 B13R2.430 OC(=O)C1=CC2=C(NC=C2)C=C1 AC180108 [0,1,0,1,0,0|1,0,1]=4 462 B13R2.430 OC(=O)C1=CC2=C(OCO2)C=C1 AC170087 [0,1,0,1,0,0|0,0,0]=2 463 B13R2.430 OC(=O)C1=CC=C2C=COC2=C1 AC051160 [0,1,0,1,0,0|1,0,1]=4 464 B13R2.430 OC(=O)C1=CC=C2N=CNC2=C1 AC180265 [0,1,0,1,0,0|1,0,1]=4 465 B13R2.430 OC(=O)C1=CC=C2N=COC2=C1 AC050384 [0,1,0,1,0,0|1,0,1]=4 466 B13R2.430 OC(=O)C1=CC=C2SC=CC2=C1 AC050451 [0,1,0,1,0,0|0,1,1]=4 467 B13R2.430 OC(=O)C1=CC=C2SC=NC2=C1 AC182044 [0,1,0,1,0,0|0,1,1]=4 468 B13R2.430 [O-][N+](=O)C1=CC=C2OCCC2=C1 AC060027 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.35 C1=C(C(=O)O)SC(=C1)Br LN00009121 [1,0,0,0,1,0|2,0,0]=4 470 B9R1.35 CC(=O)C1=CC=C(C)S1 AC180308 [1,0,0,0,1,0|2,0,0]=4 471 B9R1.35 CC1=CC(=NO1)C(O)=O AC500307 [1,0,0,0,1,0|2,0,0]=4 472 B9R1.35 CC1=CC=C(O1)C(O)=O AC180680 [1,0,0,0,1,0|1,0,0]=3 473 B9R1.35 CC1=CC=C(S1)C(O)=O AC511071 [1,0,0,0,1,0|1,0,0]=3 474 B9R1.35 CC1=NC=C(C(=O)O)O1 LN00214770 [1,0,0,0,1,0|2,0,0]=4 475 B9R1.35 CC1=NC=C(S1)C(O)=O AC181314 [1,0,0,0,1,0|2,0,0]=4 476 B9R1.35 CC1=NNC(=C1)C(O)=O AC190259 [1,0,0,0,1,0|2,0,0]=4 477 B9R1.35 CN1C=CC(=C1)C(O)=O AC182631 [1,0,0,0,1,0|1,0,0]=3 478 B9R1.35 CN1C=CC(=N1)C(O)=O AC181030 [1,0,0,0,1,0|2,0,0]=4 479 B9R1.35 CN1C=NC(=C1)C(O)=O AC181435 [1,0,0,0,1,0|2,0,0]=4 480 B9R1.35 OC(=O)C1=CC(Br)=CS1 AC181641 [1,0,0,0,1,0|2,0,0]=4 481 B9R1.35 OC(=O)C1=CC=C(Br)O1 AC130080 [1,0,0,0,1,0|2,0,0]=4 482 B9R1.35 OC(=O)C1=CC=C(Br)S1 AC020591 [1,0,0,0,1,0|2,0,0]=4 483 B9R1.35 OC(=O)C1=CC=C(Cl)O1 AC511241 [1,0,0,0,1,0|2,0,0]=4 484 B9R1.35 OC(=O)C1=CC=C(Cl)S1 AC021211 [1,0,0,0,1,0|2,0,0]=4 485 B9R1.35 OC(=O)C1=CSC(Br)=C1 AC051032 [1,0,0,0,1,0|2,0,0]=4 486 B11R1.20 CC(=NC1=CC=C(C=C1)I)O LN01092551 [1,0,0,0,0,1|2,0,0]=4 487 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 AC180006 [1,0,0,0,0,1|2,0,0]=4 488 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 AC190309 [1,0,0,0,0,1|2,0,0]=4 489 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HY-66005 [1,0,0,0,0,1|1,0,0]=3 490 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 AC021568 [1,0,0,0,0,1|2,0,0]=4 491 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 AC020469 [1,0,0,0,0,1|1,0,0]=3 492 B11R1.20 NC1=CC=C(CC(O)=O)C=C1 AC500183 [1,0,0,0,0,1|1,0,0]=3 493 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AC130091 [1,0,0,0,0,1|1,0,0]=3 494 B11R1.20 OC(=O)CC1=CC=C(F)C=C1 AC180075 [1,0,0,0,0,1|1,0,0]=3 495 B11R1.20 OC(=O)CC1=CC=C(I)C=C1 AC180656 [1,0,0,0,0,1|1,0,0]=3 496 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AC130027 [1,0,0,0,0,1|0,0,0]=2 497 B11R1.20 OC(=O)CC1=CC=C(S)C=C1 AC130028 [1,0,0,0,0,1|0,1,0]=3 498 B11R1.20 OC(=O)CC1=CN=C(Cl)C=C1 AC130212 [1,0,0,0,0,1|2,0,0]=4 499 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N LN00180819 [0,0,0,0,1,1|2,0,0]=4 500 B11R1.266 COC1=CC(=CC=C1)C(N)=N AC181812 [0,0,0,0,1,1|2,0,0]=4 501 B11R1.266 COC1=CC(=CN=C1)C(O)=O AC160339 [0,0,0,0,1,1|0,0,0]=2 502 B11R1.266 COC1=CC(=NC=C1)C(O)=O AC511198 [0,0,0,0,1,1|0,0,0]=2 503 B11R1.266 COC1=CC=CC(=C1)B(O)O AC090036 [0,0,0,0,1,1|1,0,1]=4 504 B11R1.266 COC1=CC=CC(=C1)C(O)=O AC180043 [0,0,0,0,1,1|0,0,0]=2 505 B11R1.266 COC1=CC=CC(=N1)C(=O)O LN00222703 [0,0,0,0,1,1|1,0,0]=3 506 B11R1.266 COC1=CC=CC(=N1)C(O)=O AC182063 [0,0,0,0,1,1|1,0,0]=3 507 B11R1.266 COC1=CN=CC(=C1)B(O)O AC090219 [0,0,0,0,1,1|1,0,1]=4 508 B11R1.266 COC1=NC=CC(=C1)B(O)O AC190137 [0,0,0,0,1,1|1,0,1]=4 509 B11R1.266 CSC1=NC=CC(=N1)C(O)=O AC182479 [0,0,0,0,1,1|1,1,0]=4 510 B11R1.266 NCC1=CC(=CC=C1)C(O)=O AC170057 [0,0,0,0,1,1|2,0,0]=4 511 B11R1.266 OC(=O)C1=CC(=CC=C1)C#N AC180040 [0,0,0,0,1,1|2,0,0]=4 512 B11R1.266 OC(=O)C1=CC(C=O)=CC=C1 AC160494 [0,0,0,0,1,1|2,0,0]=4 513 B11R1.266 OC(=O)C1=CC=CC(CBr)=C1 AC511772 [0,0,0,0,1,1|2,0,0]=4 514 B13R1.3 COC1=CC=C(CCC(O)=O)C=C1 AC511137 [0,0,0,0,0,2|0,0,0]=2 515 B13R1.3 OC(=O)CNC1=CC=C(C=C1)C#N AC240041 [0,0,0,0,0,2|2,0,0]=4