0 B12R1.256 CC(=O)C1=CC=C(C=C1)B(O)O AC090071 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.256 CC(=O)C1=CC=C(C=C1)C(O)=O AC180046 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O AC090079 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.256 CC(C)C1=CC=C(C=C1)C(O)=O AC510822 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.256 C[C@@H](N)C1=CC=C(C=C1)C(O)=O AC021020 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.256 C[C@@H](N)C1=CC=C(C=C1)C(O)=O AC050234 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.256 C[C@H](N)C1=CC=C(C=C1)C(O)=O AC050466 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.256 C[C@H](N)C1=CC=C(C=C1)[N+]([O-])=O AC021030 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.256 NC(=O)C1=CC=C(C=C1)B(O)O AC070091 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.256 OB(O)C1=CC=C(C=C1)C(O)=O AC510652 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O LN00115884 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N AC180027 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 AC511182 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.3 CC(=O)C1=CN=C(C=C1)OC LN00220760 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.3 CC(C)C1=CC=C(NN)C=C1 AC050609 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.3 COC1=CC=C(C=N1)C(N)=O AC040095 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.3 COC1=CN=C(C=C1)C(O)=O AC500082 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.3 COC1=NC=C(C=C1)C(C)=O AC510693 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.3 COC1=NC=C(C=C1)C(O)=O AC511139 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.3 NCC1=CC=C(C=C1)C(O)=O HY-B1258 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.3 OB(O)C1=CC=C(C=O)C=C1 AC500008 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.3 OC(=O)C1=CC=C(C=C)C=C1 AC510627 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.3 OC(=O)C1=CC=C(C=C1)C#C AC500166 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.3 OC(=O)C1=CC=C(C=O)C=C1 AC510882 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.3 OCC1=CC=C(C=C1)C(O)=O AC511649 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.3 OCC1=CC=C(C=C1)[N+]([O-])=O AC511761 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.3 [O-][N+](=O)C1=CC=C(C=O)C=C1 AC510508 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.338 CC(=O)C1=CC=C(C=C1)C(F)(F)F AC510935 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.338 CC(=O)C1=CC=C(C=C1)C(F)(F)F LN00119399 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.338 CC(=O)C1=CC=C(C=C1)S(C)(=O)=O AC180384 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.338 CC(=O)C1=CN=C(C=C1)C(C)(C)C AC250039 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.338 CC(C)(C)C1=CC=C(C=C1)B(O)O AC500185 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.338 CC(N)C1=CC=C(C=C1)S(C)(=O)=O AC050527 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(O)=O AC130101 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.338 C[C@@H](N)C1=CC=C(C=C1)S(C)(=O)=O AC050942 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.338 C[C@H](N)C1=CC=C(C=C1)S(C)(=O)=O AC050941 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.537 CC(NN)C1=CC=C(C=C1)C(O)=O AC020171 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.537 COC(=O)C1=CC=C(C=C1)B(O)O AC190070 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=N)N LN01872017 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.537 COC(=O)C1=CC=C(C=C1)C(C)=O AC020858 [0,1,0,0,0,0|1,0,1]=3 40 B13R1.537 COC(=O)C1=CC=C(C=C1)C(C)N AC050663 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.537 COC(=O)C1=CC=C(C=C1)C(O)=O AC511554 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@@H](C)N AC020031 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AC050467 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AC050672 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.537 [O-][N+](=O)C1=CC=C(C=C1)C(=O)CBr AC511822 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.428 OC(=O)C1=CN=C(N=C1)C2CC2 AC182390 [0,0,0,1,0,0|3,0,0]=4 47 B11R1.175 CC(C)C1=CSC(C(O)=O)=N1 AC020252 [0,0,0,0,1,0|3,0,0]=4 48 B13R1.585 CC(=O)NC1=CC=C(C=C1)B(O)O AC090034 [0,0,0,0,0,1|3,0,0]=4 49 B13R1.585 CC(C)OC1=CC=C(C=C1)B(O)O AC500218 [0,0,0,0,0,1|2,0,1]=4 50 B13R1.585 CC(C)OC1=CC=C(C=C1)B(O)O LN00140329 [0,0,0,0,0,1|2,0,1]=4 51 B13R1.585 CC(C)OC1=CC=C(C=C1)C(O)=O AC020961 [0,0,0,0,0,1|1,0,0]=2 52 B10R1.3 C#CC1=CC=C(C=C1)C=O LN00221032 [2,0,0,0,0,0|0,0,2]=4 53 B10R1.3 CCC1=CC=C(C=C1)C#C AC310127 [2,0,0,0,0,0|0,0,2]=4 54 B10R1.3 CCC1=CC=C(NN)C=C1 AC181336 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.3 CNC1=CC=C(OC)C=C1 AC510861 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.3 COC1=CC=C(C=O)C=C1 AC500184 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.3 COC1=CC=C(C=O)C=N1 AC181500 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.3 COC1=CC=C(CBr)C=C1 AC130033 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.3 COC1=CC=C(CCl)C=C1 AC131684 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.3 COC1=CC=C(CN)C=C1 AC290030 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.3 O=CC1=CC=C(C=C1)C#C AC310104 [2,0,0,0,0,0|0,0,2]=4 62 B10R1.3 O=CC1=CC=C(C=C1)C#N AC180061 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.3 OCC1=CC=C(C=O)C=C1 AC511200 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 AC511499 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [2,0,0,0,0,0|0,0,0]=2 66 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AC181609 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC182130 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.13 CC(=O)C1=CN=C(C=C1)Br LN00170457 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 AC181883 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.13 CC(C)C1=NC=C(C=C1)N LN00179988 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.13 CC1=CC=C(C=C1)C(O)=O AC190159 [2,0,0,0,0,0|1,0,0]=3 76 B10R1.13 CC1=CC=C(C=C1)S([O-])=O AC510965 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.13 CC1=CN=C(C=C1)C(O)=O AC181304 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.13 CN(C)C1=CC=C(C=C1)O LN00220688 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 AC020028 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AC190321 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.13 NC(=O)C1=CC=C(F)C=C1 AC511804 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.13 NC1=CC=C(C=C1)C(O)=O HY-B1008 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.13 OC(=O)C1=CC=C(I)C=C1 AC510881 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.13 OC(=O)C1=CC=C(O)C=C1 AC190218 [2,0,0,0,0,0|2,0,0]=4 91 B12R1.5 BrCC(=O)C1=CC=C(C=C1)C#N AC360009 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C AC310128 [1,1,0,0,0,0|0,0,2]=4 93 B12R1.5 COC(=O)C1=CC=C(C=C1)[N+]#[C-] AC010267 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 AC511035 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 AC500270 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 AC170086 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 AC181062 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 AC180298 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.6 CC(C)(O)C1=NC=C(C=O)C=C1 AC190039 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 AC180896 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 AC180844 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 AC190116 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.48 CN(C)C1=CC=C(C=O)C(O)=C1 AC180387 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.48 COC1=CC=C(C=C1Br)C(O)=O AC180347 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.48 COC1=CC=C(C=C1O)C(C)=O AC180841 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.113 C1=C(C=CC(=C1)[N+](=O)[O-])CCO LN00220168 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.113 OCCC1=CC=C(C=C1)[N+]([O-])=O AC021025 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.452 COC1=CC(F)=C(C=C1)C(O)=O AC181047 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.452 COC1=CC(N)=C(C=C1)C(O)=O AC181072 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 HY-N0159 [1,1,0,0,0,0|1,0,0]=3 111 B14R1.124 CC(C)OC1=CC=C(C=C1Cl)C(O)=O AC020962 [0,1,0,0,0,1|1,0,0]=3 112 B14R1.717 CC(=O)NC1=CC=C(C=C1)C(=O)CBr AC190100 [0,1,0,0,0,1|1,0,1]=4 113 B14R1.5801 CC(=O)NC1=CC=C(C(C)=O)C(O)=C1 AC160431 [0,1,0,0,0,1|1,0,1]=4 114 B14R1.747 CC(C)C1=C(C=C(C=C1)C(=O)OC)Br LN02038593 [0,2,0,0,0,0|0,0,0]=2 115 B14R1.307 CC(C)(C#N)C1=CC=C(C=C1)[N+]([O-])=O AC020479 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.719 CCC(=O)C1=CC=C(C=C1)C(F)(F)F LN00117524 [0,2,0,0,0,0|2,0,0]=4 117 B14R1.719 FC(F)(F)C1=CC=C(C=C1)C(=O)CBr AC190269 [0,2,0,0,0,0|2,0,0]=4 118 B14R1.3332 CC(C)(C)C1=CC=C(C=C1)S(Cl)(=O)=O AC180204 [0,2,0,0,0,0|2,0,0]=4 119 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(C)=O AC020856 [0,2,0,0,0,0|1,0,1]=4 120 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(C)N AC021019 [0,2,0,0,0,0|1,0,0]=3 121 B14R2.1006 OC(=O)CC1=CC=C(C=C1)C2CC2 AC050129 [0,0,0,1,0,1|1,0,0]=3 122 B10R1.31 CC(C)C1=COC(C=O)=C1 AC021095 [1,0,0,0,1,0|1,0,0]=3 123 B10R1.31 CC(C)N1C=C(C=O)C=N1 AC200141 [1,0,0,0,1,0|2,0,0]=4 124 B10R1.31 CC(C)N1C=CC(C=O)=N1 AC200154 [1,0,0,0,1,0|2,0,0]=4 125 B12R1.4 CCC1=CC=C(C=C1)CC(=O)C LN02141449 [1,0,0,0,0,1|0,0,0]=2 126 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 AC180232 [1,0,0,0,0,1|1,0,0]=3 127 B12R1.4 COC1=CC=C(CC(O)=O)C=C1 AC200110 [1,0,0,0,0,1|2,0,0]=4 128 B12R1.4 OCC1=CC=C(CC(O)=O)C=C1 AC190292 [1,0,0,0,0,1|2,0,0]=4 129 B12R1.258 CN(C)C1=CC(=CC=C1)C(O)=O AC511279 [0,0,0,0,1,1|2,0,0]=4