0 B12R1.71 CCNCC1=CC=C(OC)C=C1 AC100009 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.71 CCNCC1=CC=C(OC)C=C1 AC100060 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.1 ClC1=CC=C(/C=C/C=O)C=C1 AC040143 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.83 CNCC1=CC=C(C=C1)OC LN00008541 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.83 CNCC1=CC=C(OC)C=C1 AC100011 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.83 CNCC1=CC=C(OC)C=C1 AC100039 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.83 COC1=CC=C(/C=C/C)C=C1 HY-B0900 [1,0,0,0,0,0|0,0,1]=2 7 B11R1.83 COC1=CC=C(C=C1)CC=O LN00180813 [1,0,0,0,0,0|0,0,1]=2 8 B11R1.83 COC1=CC=C(CC#N)C=C1 AC180030 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.83 COC1=CC=C(CCO)C=C1 AC190174 [1,0,0,0,0,0|0,0,3]=4 10 B11R1.83 COC1=CC=C(CNN)C=C1 AC511322 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.83 COC1=CC=C(CON)C=C1 AC280067 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.3 COC1=CC=C(CCC(O)=O)C=C1 AC511137 [0,1,0,0,0,0|0,0,2]=3 13 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AC511004 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.57 COC1=CC2=C(C=C1)N=CC=N2 AC050967 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.57 COC1=CC2=C(C=CC=N2)C=C1 LN00335659 [0,0,0,1,0,0|1,0,0]=2 16 B13R2.57 COC1=NC2=CC=CC=C2C=C1 LN00337402 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 AC181238 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 AC512113 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 AC511148 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 AC190066 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 AC180070 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.669 COC1=CC2=C(CCC2=O)C=C1 AC130120 [0,0,0,1,0,0|0,0,2]=3 23 B13R2.669 COC1=CC=C2NN=C(Br)C2=C1 AC050041 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.669 COC1=CC=C2OCC(=O)C2=C1 AC010305 [0,0,0,1,0,0|1,0,1]=3 25 B13R2.669 COC1=CN2C(=CN=C2C=C1)Br LN01360225 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.1 C1=C(C=CC(=C1)Br)CC=O LN00171423 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.1 C1=C(C=CC(=C1)Cl)CC=O LN01308797 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.1 CC1=CC=C(C=C1)CC=O LN00179940 [2,0,0,0,0,0|0,0,1]=3 29 B10R1.17 O=CC#CC1=CC=CC=C1 AC500018 [2,0,0,0,0,0|0,0,2]=4 30 B10R1.3 C#CC1=CC=C(C=C1)C=O LN00221032 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.3 CNC1=CC=C(OC)C=C1 AC510861 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.3 COC1=CC=C(C=C1)C#C AC190261 [2,0,0,0,0,0|0,0,2]=4 33 B10R1.3 COC1=CC=C(C=O)C=C1 AC500184 [2,0,0,0,0,0|0,0,0]=2 34 B10R1.3 COC1=CC=C(C=O)C=N1 AC181500 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.3 COC1=CC=C(CBr)C=C1 AC130033 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.3 COC1=CC=C(CCl)C=C1 AC131684 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.3 COC1=CC=C(CN)C=C1 AC290030 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.3 COC1=CC=C(NN)C=C1 AC511584 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.3 COC1=NC=C(C=O)C=N1 AC181682 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.3 O=CC1=CC=C(C=C1)C#C AC310104 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.3 O=CC1=CC=C(C=C1)C#N AC180061 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.3 OCC1=CC=C(C=O)C=C1 AC511200 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.21 CC1=CC=C(C=C1)C#CC(O)=O AC030171 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.21 OC(=O)/C=C/C1=NC=C(F)C=C1 AC010004 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.4 CCC1=CC=C(C=C1)CC(=O)C LN02141449 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 AC180232 [1,1,0,0,0,0|0,0,1]=3 47 B12R1.4 COC1=CC=C(CC(N)=N)C=C1 AC030199 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.4 COC1=CC=C(CC(O)=O)C=C1 AC200110 [1,1,0,0,0,0|0,0,1]=3 49 B12R1.4 COC1=CN=C(CC(O)=O)C=C1 AC200024 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.5 COC(=O)/C=C/C1=CC=C(CBr)C=C1 AC181503 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.6 COC1=CC=C(C=C(C#N)C#N)C=C1 HY-16668 [0,2,0,0,0,0|1,0,1]=4 52 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 AC270018 [1,0,0,1,0,0|2,0,0]=4 53 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 AC510851 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 LN01357317 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)O LN00222055 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 AC050546 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.24 OC1=CC=C2C=NC=CC2=C1 AC181816 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.132 CC1=CC2=C(C=C1)CCC2=O LN00220913 [1,0,0,1,0,0|0,0,2]=4 59 B12R2.132 OC1=CC2=C(CCC2=O)C=C1 AC510898 [1,0,0,1,0,0|0,0,2]=4 60 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AC130085 [1,0,0,1,0,0|1,0,0]=3 61 B12R2.44 COC1=CC2=C(C=CS2)C=C1 AC020687 [1,0,0,1,0,0|0,1,0]=3 62 B12R2.44 COC1=CC2=C(NN=C2)C=C1 AC040194 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.44 COC1=CC2=C(OC=N2)C=C1 AC010313 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.44 COC1=CC=C2C=NNC2=C1 AC182407 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.44 COC1=CC=C2N=CSC2=C1 AC010336 [1,0,0,1,0,0|1,1,0]=4 66 B12R2.44 COC1=CC=C2SC=CC2=C1 AC010354 [1,0,0,1,0,0|1,0,0]=3 67 B12R2.44 COC1=CN2C=CN=C2C=C1 LN01367948 [1,0,0,1,0,0|2,0,0]=4 68 B14R2.134 COC1=CC2=C(CCC(=O)C2)C=C1 AC180022 [0,1,0,1,0,0|0,0,2]=4 69 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O LN00008549 [0,1,0,1,0,0|1,0,0]=3 70 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 AC130211 [0,1,0,1,0,0|1,0,0]=3 71 B14R2.1019 COC1=CC2=C(C=CC=N2)C(Br)=C1 AC020073 [0,1,0,1,0,0|1,0,0]=3 72 B14R2.1 COC1=CC=C(C=C1)N2C=CC=C2 AC260012 [0,1,0,1,0,0|1,0,0]=3 73 B14R2.142 COC1=CC2=C(CCCC2=O)C=C1 AC180021 [0,1,0,1,0,0|0,0,2]=4 74 B14R2.2497 COC1=CC2=C(NC=C2C=O)C=C1 AC500165 [0,1,0,1,0,0|0,0,0]=2 75 B14R2.1801 COC1=CC2=CC=NC(Cl)=C2C=C1 AC182030 [0,1,0,1,0,0|2,0,0]=4 76 B14R2.1801 COC1=CC2=NC=CC(Cl)=C2C=C1 AC182004 [0,1,0,1,0,0|1,0,0]=3 77 B14R2.1801 COC1=CC2=NC=NC(Cl)=C2C=C1 AC051076 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.1801 COC1=NC=C2C(Cl)=CC=NC2=C1 AC050727 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.1812 COC1=CC2=C(C=C1)C(=NC2=O)O LN01868170 [0,1,0,1,0,0|1,0,0]=3 80 B14R2.1128 COC1=C(N)C=C2C=CC=NC2=C1 AC051046 [0,1,0,1,0,0|1,0,0]=3 81 B14R2.2167 COC1=C(F)C=C2CCC(=O)C2=C1 AC050163 [0,1,0,1,0,0|0,0,2]=4