0 B12R2.612 BrC1=CC2=C(C=C1)C(=O)CC2 AC500011 [0,0,0,0,0,0|2,1,1]=4 1 B12R2.612 BrC1=CC2=C(C=C1)C(=O)NC2 AC182430 [0,0,0,0,0,0|2,1,1]=4 2 B12R2.612 BrC1=CC=C2C(=O)OCC2=C1 AC510912 [0,0,0,0,0,0|1,1,1]=3 3 B12R2.612 C1=CC2=C(C=C1N)NN=C2O LN01377208 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 C1CC(=O)C2=CC=C(C=C12)F LN00116021 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.612 C1CC(=O)C2=CC=C(C=C12)N LN00213518 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 AC220151 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.612 ClC1=CC2=C(C=C1)C(=O)CC2 AC220152 [0,0,0,0,0,0|2,1,1]=4 8 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 AC182562 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 OB1OCC2=CC(F)=CC=C12 HY-10980 [0,0,0,0,0,0|0,0,0]=0 10 B11R2.1 NC1CCC2=CC=CC=C12 AC190231 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.1 O=C1NCC2=CC=CC=C12 AC511115 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.1 OC1CCC2=CC=CN=C12 AC182162 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 ON1N=NC2=C1C=CC=C2 AC131609 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.36 BrC1=CC2=C(CNC2)C=C1 AC020080 [1,0,0,0,0,0|2,1,0]=4 16 B11R2.36 BrC1=CC=C2NCCC2=C1 AC020092 [1,0,0,0,0,0|2,1,0]=4 17 B11R2.36 BrC1=CC=C2OCCC2=C1 AC190299 [1,0,0,0,0,0|2,1,0]=4 18 B11R2.36 C1=C(C=C2C=NNC2=C1)F LN00128526 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.36 C1=C(C=C2CCNC2=C1)Br LN00009886 [1,0,0,0,0,0|2,1,0]=4 20 B11R2.36 ClC1=CC=C2COCC2=N1 AC050362 [1,0,0,0,0,0|2,1,0]=4 21 B11R2.36 FC1=CC2=C(C=CN2)C=C1 AC180542 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.36 FC1=CC2=C(NC=C2)C=C1 AC160426 [1,0,0,0,0,0|2,0,1]=4 23 B11R2.36 FC1=CC2=NSN=C2C=C1 AC290032 [1,0,0,0,0,0|2,1,0]=4 24 B11R2.36 IC1=CC2=C(CCC2)C=C1 AC020567 [1,0,0,0,0,0|2,1,0]=4 25 B11R2.36 NC1=CC=C2OCCC2=C1 AC060028 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.36 OC1=CC=C2OCCC2=C1 AC080247 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.2130 COC1=CC=C2C(=C1)COC2=O LN01995719 [0,1,0,0,0,0|2,0,1]=4 28 B13R2.11634 C1CC(=O)C2=CC(=C(C=C12)F)Cl LN01813727 [0,1,0,0,0,0|2,0,1]=4 29 B13R2.11634 FC1=C(F)C=C2C(=O)CCC2=C1 AC020194 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AC021180 [0,0,1,0,0,0|2,0,1]=4 31 B11R1.22 COC(=O)C1=CC=C(F)N=C1 AC510655 [0,0,1,0,0,0|2,0,1]=4 32 B11R1.22 COC(=O)C1=CC=C(I)C=C1 AC130758 [0,0,1,0,0,0|1,1,1]=4 33 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AC500030 [0,0,1,0,0,0|2,0,1]=4 34 B11R1.22 COC(=O)C1=CC=C(O)C=C1 AC190171 [0,0,1,0,0,0|2,0,1]=4 35 B11R1.24 CC1=CC(CCCO)=CC=C1 AC021440 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.37 COC1=CC=C(Br)C=C1CO AC021001 [0,0,1,0,0,0|2,1,0]=4 37 B11R1.166 C1=C(C(=CN=C1Cl)B(O)O)Cl LN00243309 [0,0,1,0,0,0|2,1,0]=4 38 B11R1.166 C1=CC(=NC(=C1B(O)O)F)F LN00169594 [0,0,1,0,0,0|2,0,0]=3 39 B11R1.166 CC1=C(C=CC(F)=N1)B(O)O AC181615 [0,0,1,0,0,0|1,0,0]=2 40 B11R1.166 CC1=CC(Br)=CC=C1C(O)=O AC250047 [0,0,1,0,0,0|1,1,1]=4 41 B11R1.166 CC1=CC(N)=CC=C1C(O)=O AC181976 [0,0,1,0,0,0|2,0,1]=4 42 B11R1.166 CC1=CC(O)=CC=C1B(O)O AC090175 [0,0,1,0,0,0|1,0,0]=2 43 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=C1 AC181625 [0,0,1,0,0,0|2,0,0]=3 44 B11R1.166 CC1=CC=C(B(O)O)C(F)=C1 AC181906 [0,0,1,0,0,0|2,0,0]=3 45 B11R1.166 CC1=NC(=C(C=C1)B(O)O)C LN00336751 [0,0,1,0,0,0|2,0,0]=3 46 B11R1.166 OB(O)C1=C(F)C=C(Cl)C=C1 AC181506 [0,0,1,0,0,0|1,1,0]=3 47 B11R1.166 OB(O)C1=C(F)N=C(F)C=C1 AC090055 [0,0,1,0,0,0|2,0,0]=3 48 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl AC180305 [0,0,1,0,0,0|1,1,0]=3 49 B11R1.166 OB(O)C1=CC=C(Cl)N=C1Cl AC090068 [0,0,1,0,0,0|2,1,0]=4 50 B11R1.166 OB(O)C1=CC=C(F)C=C1Cl AC181507 [0,0,1,0,0,0|1,0,0]=2 51 B11R1.166 OB(O)C1=CC=C(F)C=C1F AC030052 [0,0,1,0,0,0|1,0,0]=2 52 B11R1.166 OC(=O)C1=C(Br)C=C(F)C=C1 AC180537 [0,0,1,0,0,0|2,0,1]=4 53 B11R1.166 OC(=O)C1=C(Cl)C=C(F)C=C1 AC200135 [0,0,1,0,0,0|2,0,1]=4 54 B11R1.166 OC(=O)C1=C(F)C=C(F)C=C1 AC180271 [0,0,1,0,0,0|2,0,1]=4 55 B11R1.166 OC(=O)C1=CC=C(F)C=C1O AC511669 [0,0,1,0,0,0|2,0,1]=4 56 B13R2.3683 FC1=CC2=C(CC(=O)CC2)C=C1 AC020258 [0,0,0,0,0,1|2,0,1]=4 57 B13R2.5179 FC1=CC2=C(C=C1)C(=O)CCC2 AC220114 [0,0,0,0,0,1|2,0,1]=4 58 B13R2.5179 FC1=CC=C2C(=O)CCOC2=C1 AC511848 [0,0,0,0,0,1|2,0,1]=4 59 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O LN00159009 [1,0,1,0,0,0|0,1,0]=3 60 B10R1.13 C1=C(C=CC(=C1)I)B(O)O LN00008579 [1,0,1,0,0,0|0,1,0]=3 61 B10R1.13 C1=C(C=CC(=C1)O)B(O)O LN00138842 [1,0,1,0,0,0|1,0,0]=3 62 B10R1.13 C1=CC(=N)NC=C1B(O)O LN00194883 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.13 CC1=CC=C(C=C1)B(O)O AC500015 [1,0,1,0,0,0|1,0,0]=3 64 B10R1.13 CC1=NC=C(C=C1)B(O)O AC190074 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.13 NC1=CC=C(C=C1)B(O)O AC090205 [1,0,1,0,0,0|1,0,0]=3 70 B10R1.13 OB(O)C1=CC=C(Br)C=C1 AC500010 [1,0,1,0,0,0|0,1,0]=3 71 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 AC180418 [1,0,1,0,0,0|0,1,0]=3 72 B10R1.13 OB(O)C1=CC=C(F)C=C1 AC180417 [1,0,1,0,0,0|0,0,0]=2 73 B10R1.13 OB(O)C1=CC=C(F)N=C1 AC130003 [1,0,1,0,0,0|1,0,0]=3 74 B10R1.13 OB(O)C1=CC=C(I)C=C1 AC181226 [1,0,1,0,0,0|0,1,0]=3 75 B10R1.13 OB(O)C1=CC=C(O)C=C1 AC181172 [1,0,1,0,0,0|1,0,0]=3 76 B10R1.13 OB(O)C1=CC=C(O)N=C1 AC190026 [1,0,1,0,0,0|2,0,0]=4 77 B10R1.10 C1=CC(=CC(=C1)F)CC=O LN00241763 [1,0,1,0,0,0|1,0,1]=4 78 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [1,0,1,0,0,0|2,0,0]=4 79 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [1,0,1,0,0,0|2,0,0]=4 80 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [1,0,1,0,0,0|1,1,0]=4 81 B10R1.20 C1=CC=C(CO)C(=C1)CO LN01372805 [1,0,1,0,0,0|1,0,0]=3 82 B10R1.20 NCC1=CC=CC=C1CO AC182374 [1,0,1,0,0,0|2,0,0]=4 83 B10R1.25 CC1=C(C=CC(F)=C1)C#N AC181584 [1,0,1,0,0,0|2,0,0]=4 84 B10R1.25 CC1=CC(F)=CC=C1C=O AC181464 [1,0,1,0,0,0|1,0,1]=4 85 B10R1.25 CC1=NC(F)=CC=C1CO AC210027 [1,0,1,0,0,0|2,0,0]=4 86 B10R1.25 COC1=CC=C(F)C=C1O AC180763 [1,0,1,0,0,0|2,0,0]=4 87 B10R1.25 OCC1=CC=C(F)C=C1Br AC181077 [1,0,1,0,0,0|2,0,0]=4 88 B10R1.30 C1=C(C=C(CO)C(=C1)N)Br LN00152170 [1,0,1,0,0,0|1,1,0]=4 89 B10R1.30 CC1=CC=C(Br)C=C1CO AC050486 [1,0,1,0,0,0|1,1,0]=4 90 B10R1.30 CC1=CC=C(O)C(CO)=N1 AC021314 [1,0,1,0,0,0|2,0,0]=4 91 B10R1.30 FC1=CC=C(Br)C(CBr)=C1 AC180448 [1,0,1,0,0,0|2,0,0]=4 92 B10R1.30 OC1=C(C=O)C=C(F)C=C1 AC131640 [1,0,1,0,0,0|0,0,2]=4 93 B10R1.61 CC1=C(C=CC=C1)B(O)O AC130310 [1,0,1,0,0,0|0,0,0]=2 94 B10R1.61 CC1=C(C=CC=C1)C(O)=O AC511474 [1,0,1,0,0,0|1,0,1]=4 95 B10R1.61 NC1=C(C=CC=C1)B(O)O AC090182 [1,0,1,0,0,0|1,0,0]=3 96 B10R1.61 NC1=CC=CC=C1B(O)O AC510975 [1,0,1,0,0,0|1,0,0]=3 97 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 AC181084 [1,0,1,0,0,0|1,0,0]=3 98 B10R1.61 OB(O)C1=C(F)N=CC=C1 AC130013 [1,0,1,0,0,0|2,0,0]=4 99 B10R1.61 OB(O)C1=CC=CC=C1Br AC090122 [1,0,1,0,0,0|1,0,0]=3 100 B10R1.61 OB(O)C1=CC=CC=C1F AC130319 [1,0,1,0,0,0|1,0,0]=3 101 B10R1.61 OB(O)C1=CC=CC=C1O AC181170 [1,0,1,0,0,0|1,0,0]=3 102 B10R1.61 OB(O)C1=CC=CN=C1Cl AC090149 [1,0,1,0,0,0|2,0,0]=4 103 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [2,0,0,0,0,0|2,0,0]=4 104 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [2,0,0,0,0,0|2,0,0]=4 105 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [2,0,0,0,0,0|2,0,0]=4 106 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [2,0,0,0,0,0|1,0,0]=3 107 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 AC510776 [0,1,1,0,0,0|1,0,1]=4 108 B12R1.367 COC(=O)C1=CC=C(F)C(C)=C1 AC181942 [0,1,1,0,0,0|1,0,1]=4 109 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F LN00222667 [0,1,1,0,0,0|1,0,1]=4 110 B12R1.1703 COC(=O)C1=CC=C(F)C=C1N AC160360 [0,1,1,0,0,0|1,0,1]=4 111 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O AC181401 [0,1,1,0,0,0|1,0,1]=4 112 B12R1.57 COC1=CC(F)=CC=C1B(O)O AC181702 [0,1,1,0,0,0|2,0,0]=4 113 B12R1.57 OB(O)C1=CC=C(F)C=C1C=O AC090207 [0,1,1,0,0,0|0,0,2]=4 114 B12R1.57 OB(O)C1=CC=C(F)C=C1CBr AC090218 [0,1,1,0,0,0|1,0,0]=3 115 B12R1.57 OCC1=C(C=CC(F)=C1)[N+]([O-])=O AC181938 [0,1,1,0,0,0|1,0,1]=4 116 B12R1.232 CC1=C(C=C(F)C(F)=C1)B(O)O AC090014 [0,1,1,0,0,0|0,0,0]=2 117 B12R1.232 CC1=CC(C)=C(C)C=C1B(O)O AC090138 [0,1,1,0,0,0|1,0,0]=3 118 B12R1.452 COC1=CC(=C(C=C1)B(O)O)F LN00010048 [0,1,1,0,0,0|2,0,0]=4 119 B12R1.452 COC1=CC(Cl)=C(C=C1)B(O)O AC181624 [0,1,1,0,0,0|2,0,0]=4 120 B12R1.452 COC1=CC(F)=C(C=C1)B(O)O AC511540 [0,1,1,0,0,0|2,0,0]=4 121 B12R1.452 COC1=CC=C(B(O)O)C(C)=C1 AC181508 [0,1,1,0,0,0|1,0,0]=3 122 B12R1.893 CC1=C(F)C(F)=C(C=C1)B(O)O AC090177 [0,1,1,0,0,0|2,0,0]=4 123 B12R1.893 OB(O)C1=CC=C(F)C(F)=C1F AC090119 [0,1,1,0,0,0|1,0,0]=3 124 B12R2.132 BrC1=CC2=C(COC2=O)C=C1 AC181679 [1,1,0,0,0,0|1,0,1]=4 125 B12R2.132 C1=CC(=CC2=C1COC2=O)F LN00196949 [1,1,0,0,0,0|1,0,1]=4 126 B12R2.196 BrC1=C2COC(=O)C2=CC=C1 AC200055 [1,1,0,0,0,0|1,0,1]=4 127 B12R2.606 FC1=CC=C2NC(=O)CC2=C1 AC181437 [1,1,0,0,0,0|2,0,0]=4