0 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC511452 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.27 OCC(=O)OCC1=CC=CC=C1 AC510721 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 CCO/C=N/C1=CC=CC=C1 AC130282 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O LN02139389 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.91 C1=CC=C(C=C1)CCC(=N)O LN01357216 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O LN02138687 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.91 CC(=O)C#CC1=CC=CC=C1 AC270040 [1,0,0,0,0,0|0,0,2]=3 7 B11R1.91 NC(=O)OCC1=CC=CC=C1 AC511867 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 OC(=O)C#CC1=CC=CC=C1 AC500012 [1,0,0,0,0,0|0,0,2]=3 9 B11R1.91 [O-][N+](=O)/C=C/C1=CC=CC=C1 AC510806 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 AC182529 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.14 COC(=O)CCC1=CC=C(C=C1)Br LN00174279 [0,1,0,0,0,0|0,0,2]=3 12 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 AC511735 [0,1,0,0,0,0|0,0,2]=3 13 B13R1.15 COC(=O)\C=C\C1=CC(=CC=C1)N LN02202613 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.42 CCOC(=O)/C=C/C1=CC=NC=C1 AC160357 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 AC180236 [0,1,0,0,0,0|0,0,2]=3 16 B13R1.42 ClCCC(=O)NCC1=CC=CC=C1 HY-B1185 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 AC030172 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 AC511494 [0,1,0,0,0,0|0,0,2]=3 19 B13R1.528 COC(=O)CCC1=CC=CC=C1Br LN00221618 [0,1,0,0,0,0|0,0,2]=3 20 B13R2.10 C1=CC=C(C=C1)C2=NCC(=O)O2 LN01808811 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.10 O=C1N[C@H](CO1)C2=CC=CC=C2 AC180468 [0,0,0,1,0,0|1,0,1]=3 22 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 AC180481 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br AC510844 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AC511004 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.57 BrCC1=CC=C2C=CC=CC2=N1 AC511736 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)C=O LN00159260 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.57 COC1=CC2=C(C=C1)N=CC=N2 AC050967 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.57 COC1=CC2=C(C=CC=N2)C=C1 LN00335659 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.57 COC1=NC2=CC=CC=C2C=C1 LN00337402 [0,0,0,1,0,0|1,0,0]=2 30 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 AC181238 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 AC512113 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 AC511148 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 AC190066 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 AC180070 [0,0,0,1,0,0|3,0,0]=4 35 B11R1.40 BrCC(=O)NC1=CC=CC=C1 AC050571 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,0,0,0,1,0|0,0,1]=2 37 B11R1.40 COC(=O)CC1=CN=CC=C1 LN00214372 [0,0,0,0,1,0|1,0,1]=3 38 B11R1.40 COC(=O)CC1=NC=CN=C1 AC051082 [0,0,0,0,1,0|2,0,1]=4 39 B13R1.718 COC(=O)CCCC1=CC=CC=C1 AC050449 [0,0,0,0,0,1|0,0,2]=3 40 B10R1.17 O=CC#CC1=CC=CC=C1 AC500018 [2,0,0,0,0,0|0,0,2]=4 41 B12R1.21 C1=C(C=CC(=C1)Cl)CCC(=O)O LN00010471 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.21 CC1=CC=C(C=C1)C#CC(O)=O AC030171 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.21 OC(=O)/C=C/C1=NC=C(F)C=C1 AC010004 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.21 OC(=O)CCC1=CC=C(Br)C=C1 AC511544 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.21 OC(=O)CCC1=CC=C(Cl)C=C1 AC510686 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.43 C/C(=C\C1=CC=CC=C1)C(O)=O AC100076 [1,1,0,0,0,0|0,0,0]=2 47 B12R1.43 NC(CC1=CC=CC=C1)C(O)=O AC500212 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HY-N0215 [1,1,0,0,0,0|0,0,2]=4 49 B12R1.43 O[C@@H](CC1=CC=CC=C1)C(O)=O AC511592 [1,1,0,0,0,0|0,0,2]=4 50 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O LN00173205 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.107 NC(CC(O)=O)C1=CC=CC=C1 AC180223 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.107 NN(CC(O)=O)C1=CC=CC=C1 AC050551 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 AC181187 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl LN00119293 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.125 OC(=O)CCC1=CC=CC=C1Br AC500214 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.226 C1=CC(=CC(=C1)Br)CCC(=O)O LN00117340 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.226 CC1=CC(CCC(O)=O)=CC=C1 AC021438 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.226 CC1=CC=CC(/C=C/C(O)=O)=C1 AC021437 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.226 OC(=O)/C=C/C1=CC(F)=CC=C1 AC180077 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.226 OC(=O)CCC1=CC=CC(Br)=C1 AC181200 [1,1,0,0,0,0|0,0,2]=4 61 B12R1.226 OC(=O)CCC1=CC=CC(O)=C1 AC511908 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.226 OC(=O)COC1=CC=CC(Cl)=C1 AC180315 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.226 OC(=O)COC1=CC=CC(F)=C1 AC181466 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 AC021703 [0,1,0,0,1,0|0,0,1]=3 65 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AC021290 [0,1,0,0,1,0|0,0,1]=3 66 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC130035 [0,1,0,0,1,0|0,0,1]=3 67 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC511588 [0,1,0,0,1,0|0,0,1]=3 68 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 AC512142 [0,1,0,0,1,0|0,0,1]=3 69 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 AC270037 [0,1,0,0,1,0|1,0,1]=4 70 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 AC500125 [0,1,0,0,1,0|0,0,1]=3 71 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 AC180684 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 AC511087 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.5 COC(=O)/C=C/C1=CC=C(CBr)C=C1 AC181503 [0,2,0,0,0,0|0,0,0]=2 74 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 AC510628 [0,2,0,0,0,0|0,0,2]=4 75 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 AC021496 [0,2,0,0,0,0|0,0,2]=4 76 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 AC021004 [0,2,0,0,0,0|1,0,1]=4 77 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C=C1)Cl LN02009956 [0,2,0,0,0,0|0,0,0]=2 78 B14R1.727 COC(=O)COC1=CC=C(O)C=C1C AC020727 [0,2,0,0,0,0|1,0,1]=4 79 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 AC021439 [0,2,0,0,0,0|0,0,2]=4 80 B14R1.5956 OC(=O)C(=O)/C=C/C1=CC(Cl)=CC=C1 AC030099 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.77 CNC1=CC=CC=C1C(=O)OC AC021164 [0,0,1,1,0,0|1,0,1]=4 82 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 AC511028 [0,0,1,1,0,0|1,0,1]=4 83 B12R1.77 COC(=O)C1=CC=CC=C1CBr LN00174655 [0,0,1,1,0,0|1,0,1]=4 84 B12R1.354 CC1=C(C=C(C=C1)I)C(=O)OC LN01358463 [0,0,1,1,0,0|1,0,1]=4 85 B12R1.354 COC(=O)C1=C(Br)C=CC(O)=C1 AC060056 [0,0,1,1,0,0|2,0,0]=4 86 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 AC510571 [0,0,1,1,0,0|1,0,1]=4 87 B12R1.354 COC(=O)C1=C(C=CC(=C1)I)Br LN01324137 [0,0,1,1,0,0|2,0,0]=4 88 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 AC510812 [0,0,1,1,0,0|2,0,0]=4 89 B12R1.354 COC(=O)C1=CC(Br)=CC=C1F AC511080 [0,0,1,1,0,0|2,0,0]=4 90 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O AC510579 [0,0,1,1,0,0|2,0,0]=4 91 B12R1.354 COC(=O)C1=CC(C)=CC=C1N AC181067 [0,0,1,1,0,0|1,0,1]=4 92 B12R1.354 COC(=O)C1=CC(F)=CC=C1Br AC180663 [0,0,1,1,0,0|2,0,0]=4 93 B12R1.354 COC(=O)C1=CC(N)=CC=C1C AC182355 [0,0,1,1,0,0|1,0,1]=4 94 B12R1.435 COC(=O)C1=CC(OC)=CC=C1 AC160463 [0,0,1,1,0,0|1,0,1]=4 95 B12R1.435 COC(=O)C1=CC=CC(C=O)=C1 AC180850 [0,0,1,1,0,0|1,0,0]=3 96 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 AC500177 [0,0,1,1,0,0|1,0,1]=4 97 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 AC170045 [0,0,1,1,0,0|1,0,1]=4 98 B12R2.2 N1C=CC(=N1)C2=CC=CC=C2 AC180806 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.1081 CC1=C2C=CC=CC2=CN=C1 AC040044 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 AC510996 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 AC510851 [1,0,0,1,0,0|1,0,1]=4 102 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 AC500249 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.24 C1=CC2=NC(=CC=C2N=C1)O LN01364533 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)O LN00222055 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 AC050546 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 AC510873 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.24 FC1=NC2=CC=CC=C2C=C1 AC010072 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.24 NC1=CC=C2C=CC=CC2=N1 AC510853 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 AC160458 [1,0,0,1,0,0|0,0,2]=4 110 B12R2.24 O=C1NC2=C(C=CC=C2)N=C1 AC511476 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.24 OC1=CC=C2C=NC=CC2=C1 AC181816 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AC130085 [0,0,0,1,1,0|2,0,0]=4 113 B12R2.44 COC1=CC2=C(C=CS2)C=C1 AC020687 [0,0,0,1,1,0|2,0,0]=4 114 B12R2.44 COC1=CC=C2SC=CC2=C1 AC010354 [0,0,0,1,1,0|2,0,0]=4 115 B12R2.18 CC1=CC2=CC=CC=C2N1C LN00009059 [0,0,0,1,1,0|2,0,0]=4 116 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 AC510621 [0,0,0,1,0,1|0,0,2]=4 117 B14R2.68 O=C1NN=C(C=C1)C2=CC=CC=C2 AC180705 [0,0,0,1,0,1|2,0,0]=4 118 B14R2.95 BrCC(=O)C1=CSC2=CC=CC=C12 AC190003 [0,0,0,1,0,1|2,0,0]=4 119 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 AC190183 [0,0,0,1,0,1|0,0,0]=2 120 B14R2.95 COC(=O)C1=CNC2=C1C=CC=N2 AC020294 [0,0,0,1,0,1|1,0,0]=3 121 B14R2.95 ClCC(=O)C1=CNC2=CC=CC=C12 HY-16666 [0,0,0,1,0,1|2,0,0]=4 122 B14R2.4514 CN1C(=CN=C1C2=CC=CC=C2)Br LN01352872 [0,0,0,1,0,1|2,0,0]=4 123 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AC051188 [0,1,0,1,0,0|1,0,1]=4 124 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AC182770 [0,1,0,1,0,0|1,0,1]=4 125 B14R2.1019 COC1=CC2=C(C=CC=N2)C(Br)=C1 AC020073 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.112 NCCC1=NC2=CC=CC=C2C=C1 AC050218 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 AC050207 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.972 CNC(=O)C1=NN2C=CC=CC2=C1 AC010515 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.972 COC(=O)C1=CC2=C(N1)C=CC=C2 AC021668 [0,1,0,1,0,0|0,0,0]=2 130 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 AC182359 [0,1,0,1,0,0|1,0,0]=3 131 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 LN00339001 [0,1,0,1,0,0|1,0,0]=3 132 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 AC010514 [0,1,0,1,0,0|1,0,0]=3 133 B14R2.1128 COC1=C(N)C=C2C=CC=NC2=C1 AC051046 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.8188 CN1C(=O)C(Br)=CC2=CC=CC=C12 AC080600 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.92 BrC1=C2C=CC=CC2=CC=C1C=O AC511856 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2Br)C=O LN00220256 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.1801 COC1=CC2=CC=NC(Cl)=C2C=C1 AC182030 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.1801 COC1=CC2=NC=CC(Cl)=C2C=C1 AC182004 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.18 C1=C(C=CN=C1)CC(=O)O LN00224216 [1,0,0,0,1,0|1,0,1]=4 140 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [1,0,0,0,1,0|1,0,1]=4 141 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [1,0,0,0,1,0|1,0,1]=4 142 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [1,0,0,0,1,0|1,0,1]=4 143 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [1,0,0,0,1,0|1,0,1]=4 144 B10R1.18 OC(=O)CC1=CC=CN=C1 AC290044 [1,0,0,0,1,0|1,0,1]=4 145 B10R1.18 OC(=O)CC1=CC=NC=C1 AC180287 [1,0,0,0,1,0|1,0,1]=4 146 B10R1.66 OC(=O)/C=C/C1=NC=CS1 AC050975 [1,0,0,0,1,0|2,0,0]=4 147 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [0,0,0,0,2,0|2,0,0]=4 148 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [0,0,0,0,2,0|2,0,0]=4 149 B10R1.15 COC(=O)C1=CC=CN=C1 AC190178 [0,0,0,0,2,0|1,0,0]=3 150 B10R1.15 COC(=O)C1=CC=NC=C1 AC180163 [0,0,0,0,2,0|1,0,0]=3 151 B10R1.15 COC(=O)C1=CC=NN=C1 AC182530 [0,0,0,0,2,0|2,0,0]=4 152 B10R1.15 COC(=O)C1=CN=CN=C1 AC050514 [0,0,0,0,2,0|2,0,0]=4 153 B10R1.15 COC(=O)C1=NC=CC=N1 AC021481 [0,0,0,0,2,0|2,0,0]=4 154 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [0,0,0,0,2,0|2,0,0]=4 155 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [0,0,0,0,2,0|2,0,0]=4