0 B10R1.17 C1=CC=C(C=C1)C#CCO LN00160166 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 COCOC1=CN=CC=C1 AC080496 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 NCCOC1=CC=CN=C1 AC182690 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 NCCOC1=NC=CC=C1 AC180673 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [0,0,0,0,0,0|2,0,0]=2 8 B10R1.17 O=CC#CC1=CC=CC=C1 AC500018 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 OCC#CC1=CC=CC=C1 AC500097 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 OCCCC1=CC=NC=C1 AC180489 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 BrC#CC1=CC=CC=C1 AC511272 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 CNCC1=CC=CC=C1 AC500163 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 NCCC1=CC=CN=C1 AC500060 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 NNCC1=CC=CC=C1 AC500254 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 OCCC1=CC=NC=C1 AC511725 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 OCCC1=NC=CN=C1 AC051081 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 ONCC1=CC=CC=C1 AC180467 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.1 C(CC1=CC=C(C=C1)Br)CO LN00159728 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.1 C(CC1=CN=C(C=C1)Br)CO LN01366240 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.1 OCCCC1=CC=C(Br)C=C1 AC020478 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.16 C1=CC=C(C=C1)[C@@H](CCO)N LN00219910 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.16 NC(CCO)C1=CC=CC=C1 AC181123 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC181203 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.16 O=C(CC#N)C1=CC=CC=C1 AC500022 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 AC180615 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.24 BrC1=CC=CC(CCC=O)=C1 AC020270 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.24 CC1=CC(CCCO)=CC=C1 AC021440 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AC100073 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.28 BrCCOCC1=CC=CC=C1 AC500208 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.28 C1=CC=C(C=C1)COCCBr LN00010106 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.28 C1=CC=C(C=C1)COCCN LN02222953 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.28 CCO/C=N/C1=CC=CC=C1 AC130282 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.28 NCCOCC1=CC=CC=C1 AC181970 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.28 OCCOCC1=CC=CC=C1 AC511762 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N LN00008763 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,1,0,0,0,0|0,0,1]=2 40 B11R1.40 COC(=O)CC1=CN=CC=C1 LN00214372 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.40 COC(=O)CC1=NC=CN=C1 AC051082 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.40 NC(CO)CC1=CC=CC=C1 AC512047 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.40 NCC(O)CC1=CC=CC=C1 AC050560 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC180085 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.91 C1=CC=C(C=C1)CCC(=N)O LN01357216 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.91 CC(=O)C#CC1=CC=CC=C1 AC270040 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.91 CC(O)COC1=CC=CC=C1 AC130345 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.91 NC(=O)OCC1=CC=CC=C1 AC511867 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.91 OB(O)CCC1=CC=CC=C1 AC090136 [0,1,0,0,0,0|2,0,0]=3 50 B11R2.1 CC1=CNC2=C1C=CC=C2 AC500066 [0,0,0,1,0,0|2,0,1]=4 51 B11R2.1 CN1C=CC2=C1C=CC=C2 AC510426 [0,0,0,1,0,0|1,0,2]=4 52 B11R2.1 NC1CCC2=CC=CC=C12 AC190231 [0,0,0,1,0,0|2,0,0]=3 53 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [0,0,0,1,0,0|2,0,0]=3 54 B11R2.1 O=C1CCC2=CC=CN=C12 AC182161 [0,0,0,1,0,0|3,0,0]=4 55 B11R2.1 O=C1CCC2=NC=CC=C12 AC511871 [0,0,0,1,0,0|3,0,0]=4 56 B11R2.1 O=C1COC2=C1C=CC=C2 AC130193 [0,0,0,1,0,0|3,0,0]=4 57 B11R2.1 O=C1CSC2=CC=CC=C12 AC182209 [0,0,0,1,0,0|3,0,0]=4 58 B11R2.1 O=C1NCC2=CC=CC=C12 AC511115 [0,0,0,1,0,0|3,0,0]=4 59 B11R2.1 OC1CCC2=CC=CN=C12 AC182162 [0,0,0,1,0,0|3,0,0]=4 60 B11R2.4 C1=CC=C(C=C1)[C@@H]2C[C@H]2N LN00342917 [0,0,0,1,0,0|2,0,0]=3 61 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [0,0,0,1,0,0|2,0,0]=3 62 B11R2.20 C1CC2=C(C=C1)C=CC=C2 AC220111 [0,0,0,1,0,0|1,0,1]=3 63 B11R2.20 C1CC2=C(CN1)C=CC=C2 AC180179 [0,0,0,1,0,0|1,0,0]=2 64 B11R2.20 C1CC2=C(CN1)C=CC=N2 AC050259 [0,0,0,1,0,0|2,0,0]=3 65 B11R2.20 C1CC2=C(CN1)C=NC=N2 AC182554 [0,0,0,1,0,0|3,0,0]=4 66 B11R2.20 C1CC2=C(CN1)N=CC=C2 AC050313 [0,0,0,1,0,0|2,0,0]=3 67 B11R2.20 C1CC2=C(CO1)C=CC=C2 AC180186 [0,0,0,1,0,0|0,0,0]=1 68 B11R2.20 C1CC2=CC=NC=C2CN1 AC050321 [0,0,0,1,0,0|2,0,0]=3 69 B11R2.20 C1CCC2=C(C1)C=CC=N2 AC180175 [0,0,0,1,0,0|2,0,0]=3 70 B11R2.20 C1CNC2=CC=CC=C2C1 AC180172 [0,0,0,1,0,0|2,0,0]=3 71 B11R2.20 C1COC2=C(N1)C=CC=C2 AC511129 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.2 BrCC1=CC=CN=C1 AC190295 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 BrCC1=CC=NC=C1 AC190236 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.2 BrCC1=NC=CC=C1 AC190262 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 CNC1=NC=CC=C1 AC500327 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.2 COC1=CC=NC=C1 AC510883 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.2 ClCC1=CC=CC=N1 AC510931 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 ClCC1=CC=CN=C1 AC190048 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 NCC1=CC=CN=C1 AC512081 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.2 NCC1=CC=NC=C1 AC510741 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|0,0,0]=2 82 B8R1.2 OCC1=CC=CN=C1 AC500154 [2,0,0,0,0,0|1,0,0]=3 83 B8R1.2 OCC1=CC=NC=C1 AC510857 [2,0,0,0,0,0|1,0,0]=3 84 B8R1.2 OCC1=CN=CN=C1 AC170027 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.2 OCC1=NC=CC=C1 AC511744 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.2 OCC1=NC=CC=N1 AC182042 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.2 ONC1=CC=CC=C1 AC500156 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.2 SCC1=NC=CC=C1 AC100035 [2,0,0,0,0,0|1,1,0]=4 89 B10R1.1 BrC1=CC=C(CC#N)C=C1 AC500226 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.1 C1=C(C=CC(=C1)Br)CC=O LN00171423 [1,1,0,0,0,0|0,0,2]=4 91 B10R1.1 C1=C(C=CC(=C1)Br)CCO LN00010340 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.1 C1=C(C=CC(=C1)Cl)CC=O LN01308797 [1,1,0,0,0,0|0,0,2]=4 93 B10R1.1 C1=C(C=CC(=C1)F)CCO LN00009366 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.1 CC1=CC=C(C=C1)CC=O LN00179940 [1,1,0,0,0,0|0,0,2]=4 95 B10R1.1 CCOC1=CC=C(I)C=C1 AC190197 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.1 CNCC1=CC=C(Br)C=C1 AC181858 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.1 CNCC1=CC=C(C)C=C1 AC181832 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC180340 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.1 FC1=CC=C(CCBr)C=C1 AC181747 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.1 IC1=CC=C(CC#N)C=C1 AC511918 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.1 NC1=CC=C(CC#N)C=C1 AC180221 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.1 NCCC1=CC=C(Br)C=C1 AC510947 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.1 NCCC1=CC=C(F)C=C1 AC511531 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.1 NCCC1=CC=C(N)C=C1 AC181788 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.1 NNCC1=CC=C(F)C=C1 AC070102 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.1 NOCC1=CC=C(Cl)C=C1 AC010098 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.1 OCCC1=CC=C(Br)C=C1 AC511093 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.1 OCCC1=CC=C(Cl)C=C1 AC180054 [1,1,0,0,0,0|0,0,0]=2 110 B10R1.1 OCCC1=CC=C(F)C=C1 AC190322 [1,1,0,0,0,0|0,0,0]=2 111 B10R1.4 C1=CC=C(C(=C1)CC=O)Br LN00181697 [1,1,0,0,0,0|0,0,2]=4 112 B10R1.4 C1=CC=C(C(=C1)CC=O)Cl LN00180075 [1,1,0,0,0,0|0,0,2]=4 113 B10R1.4 C1=CC=C(C(=C1)CC=O)F LN00181093 [1,1,0,0,0,0|0,0,2]=4 114 B10R1.4 C1=CC=C(C(=C1)CCO)Br LN00142608 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.4 C1=CC=C(C(=C1)CCO)Cl LN00192290 [1,1,0,0,0,0|0,0,0]=2 116 B10R1.4 CC1=C(CON)C=CC=C1 AC010097 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.4 CC1=CC=CC=C1CC#N AC512146 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.4 CC1=CC=CC=C1CC=O LN00181191 [1,1,0,0,0,0|0,0,2]=4 119 B10R1.4 CC1=CC=CC=C1N=CO LN00241919 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.4 CCOC1=CC=CC=C1N AC190317 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.4 NCCC1=CC=CC=C1N AC070086 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.4 NCCC1=CC=CC=C1O AC050448 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.4 O/N=C/C1=CC=CC=C1F AC051165 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.4 OCCC1=CC=CC=C1Br AC180682 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.10 C1=CC(=CC(=C1)Br)CC=O LN00181220 [1,1,0,0,0,0|0,0,2]=4 126 B10R1.10 C1=CC(=CC(=C1)Cl)CC=O LN00179867 [1,1,0,0,0,0|0,0,2]=4 127 B10R1.10 C1=CC(=CC(=C1)F)CC=O LN00241763 [1,1,0,0,0,0|0,0,2]=4 128 B10R1.10 CC1=CC(=CC=C1)CC=O LN00181749 [1,1,0,0,0,0|0,0,2]=4 129 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [1,1,0,0,0,0|0,0,0]=2 130 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [1,1,0,0,0,0|0,0,0]=2 131 B10R1.10 CCCC1=NC=CC(=C1)Br LN02162802 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.10 CCOC1=CC=CC(N)=C1 AC020532 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.10 CCOC1=NC=CC(N)=C1 AC180955 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.10 CNCC1=CC=CC(Br)=C1 AC181856 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.10 COCC1=NC=CC(N)=N1 AC182595 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC511209 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [1,1,0,0,0,0|0,0,0]=2 140 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [1,1,0,0,0,0|0,0,0]=2 143 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [1,1,0,0,0,0|0,0,2]=4 144 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [1,1,0,0,0,0|0,0,0]=2 145 B10R1.15 COC(=O)C1=CC=CN=C1 AC190178 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.15 COC(=O)C1=CC=NC=C1 AC180163 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [1,1,0,0,0,0|0,0,0]=2 150 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [1,1,0,0,0,0|0,0,0]=2 151 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [1,1,0,0,0,0|0,0,1]=3 152 B10R1.18 C1=C(C=CN=C1)CC(=O)O LN00224216 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [1,1,0,0,0,0|0,0,1]=3 154 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [1,1,0,0,0,0|0,0,2]=4 157 B10R1.18 OC(=O)CC1=CC=CN=C1 AC290044 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.18 OC(=O)CC1=CC=NC=C1 AC180287 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HY-N0132A [0,2,0,0,0,0|1,0,0]=3 160 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 AC181635 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.21 C1=C(C=CC(=C1)Cl)CCC(=O)O LN00010471 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.21 OC(=O)CCC1=CC=C(Br)C=C1 AC511544 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.21 OC(=O)CCC1=CC=C(Cl)C=C1 AC510686 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AC021290 [0,2,0,0,0,0|0,0,1]=3 165 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC130035 [0,2,0,0,0,0|0,0,1]=3 166 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC511588 [0,2,0,0,0,0|0,0,1]=3 167 B12R1.69 CC1=CC=C(CCCO)C(N)=C1 AC021315 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.69 COCOC1=CN=C(F)C=C1I AC050925 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.71 CCNCC1=CC=C(OC)C=C1 AC100009 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.71 CCNCC1=CC=C(OC)C=C1 AC100060 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 HY-B0769 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 HY-B0471 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 AC021703 [0,2,0,0,0,0|0,0,1]=3 174 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O LN00173205 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.107 NC(CC(O)=O)C1=CC=CC=C1 AC180223 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 AC181187 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl LN00119293 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.125 OC(=O)CCC1=CC=CC=C1Br AC500214 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.267 COCOCC1=CC=CC=C1Br AC020895 [0,2,0,0,0,0|0,0,0]=2 180 B12R1.267 NCCCOC1=CC=CC=C1F AC030111 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 AC500125 [0,2,0,0,0,0|0,0,1]=3 182 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 AC512142 [0,2,0,0,0,0|0,0,1]=3 183 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 AC270037 [0,2,0,0,0,0|1,0,1]=4 184 B12R1.226 C1=CC(=CC(=C1)Br)CCC(=O)O LN00117340 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.226 CC1=CC(CCC(O)=O)=CC=C1 AC021438 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.226 OC(=O)CCC1=CC=CC(Br)=C1 AC181200 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.226 OC(=O)CCC1=CC=CC(O)=C1 AC511908 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.382 CCNCC1=CC(=CC=C1)OC LN00234456 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.8 BrCCCCOC1=CC=CC=C1 AC020598 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.8 BrCCCOCC1=CC=CC=C1 AC160468 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.8 C=CCCNCC1=CC=CC=C1 LN00150307 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.8 CNCC/C=C/C1=CC=CN=C1 HY-13225 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.8 CNCC/C=C/C1=CC=CN=C1 HY-13225A [0,2,0,0,0,0|2,0,0]=4 194 B12R1.8 CNCC/C=C/C1=CC=CN=C1 HY-13225B [0,2,0,0,0,0|2,0,0]=4 195 B12R1.8 OCCCOCC1=CC=CC=C1 AC511134 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.27 CC(CO)NCC1=CC=CC=C1 AC030107 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC511452 [0,2,0,0,0,0|0,0,0]=2 198 B12R1.27 OCC(=O)OCC1=CC=CC=C1 AC510721 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.32 CCOC(=O)CC1=CC=CC=C1 AC500159 [0,2,0,0,0,0|0,0,1]=3 200 B12R1.32 CCOC(=O)CC1=CC=CN=C1 AC180161 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.32 CN(CC#C)CC1=CC=CC=C1 HY-A0091A [0,2,0,0,0,0|1,0,1]=4 203 B12R1.252 C[C@@H](COCC1=CC=CC=C1)O LN01358023 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.252 OC(=O)CCCC1=CC=CC=C1 AC180078 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AC190256 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.252 OC(=O)COCC1=CC=CC=C1 AC180997 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.252 [O-]C(=O)CCCC1=CC=CC=C1 HY-15654 [0,2,0,0,0,0|1,0,1]=4 208 B12R1.43 NC(CC1=CC=CC=C1)C(O)=O AC500212 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O AC510918 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HY-N0215 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.43 O[C@@H](CC1=CC=CC=C1)C(O)=O AC511592 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.118 OCC(CO)CC1=CC=CC=C1 AC021392 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 HY-B0938 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.891 ClS(=O)(=O)CCC1=CC=CC=C1 AC511199 [0,2,0,0,0,0|1,1,0]=4 215 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [1,0,0,1,0,0|2,0,0]=4 216 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [1,0,0,1,0,0|1,0,0]=3 217 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [1,0,0,1,0,0|1,0,0]=3 218 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [1,0,0,1,0,0|2,0,0]=4 219 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [1,0,0,1,0,0|0,0,0]=2 220 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [1,0,0,1,0,0|2,0,0]=4 221 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [1,0,0,1,0,0|1,0,0]=3 222 B10R2.7 C1NCC2=CN=CC=C12 AC182745 [1,0,0,1,0,0|2,0,0]=4 223 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [1,0,0,1,0,0|0,0,0]=2 224 B10R2.7 O1C=NC2=CC=CC=C12 AC511074 [1,0,0,1,0,0|1,0,1]=4 225 B12R2.24 BrC1=CC2=C(CCNC2)C=C1 AC181560 [0,1,0,1,0,0|1,0,0]=3 226 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 AC050461 [0,1,0,1,0,0|1,0,0]=3 227 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 AC511061 [0,1,0,1,0,0|1,0,0]=3 228 B12R2.24 C1CC2=CC(=CC=C2NC1)F LN00182017 [0,1,0,1,0,0|2,0,0]=4 229 B12R2.24 CC1=CC=C2CCNCC2=C1 LN00002081 [0,1,0,1,0,0|1,0,0]=3 230 B12R2.24 CC1=CC=C2CCNCC2=C1 LN00002591 [0,1,0,1,0,0|1,0,0]=3 231 B12R2.24 ClC1=CC=C2CNCCC2=N1 AC182482 [0,1,0,1,0,0|2,0,0]=4 232 B12R2.24 ClC1=CC=C2COCCC2=N1 AC050299 [0,1,0,1,0,0|1,0,0]=3 233 B12R2.24 NC1=CC2=C(CCCN2)C=C1 AC170059 [0,1,0,1,0,0|2,0,0]=4 234 B12R2.24 NC1CCC2=C(C1)C=CC=C2 AC511993 [0,1,0,1,0,0|1,0,0]=3 235 B12R2.24 NC1CSC2=CC=CC=C2C1 AC320002 [0,1,0,1,0,0|2,0,0]=4 236 B12R2.24 N[C@@H]1COC2=C(C1)C=CC=C2 AC182794 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 AC160458 [0,1,0,1,0,0|1,0,0]=3 238 B12R2.24 O=C1CCC2=CC=CC=C2N1 AC180323 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.24 OC1=CC2=C(CCCN2)C=C1 AC182222 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.24 OC1=CC2=C(NCCC2)C=C1 AC181118 [0,1,0,1,0,0|2,0,0]=4 241 B12R2.24 OC1=CC=C2CCCCC2=C1 AC512165 [0,1,0,1,0,0|1,0,0]=3 242 B12R2.24 OC1CCC2=CC=CC=C2C1 AC220098 [0,1,0,1,0,0|1,0,0]=3 243 B12R2.132 BrC1=CC2=C(CCC2=O)C=C1 AC181424 [0,1,0,1,0,0|2,0,0]=4 244 B12R2.132 CC1=CC2=C(C=C1)CCC2=O LN00220913 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.132 ClC1=CC2=C(CCC2=O)C=C1 AC181146 [0,1,0,1,0,0|2,0,0]=4 246 B12R2.132 OC1=CC2=C(CCC2=O)C=C1 AC510898 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.294 C1=C(C=CC(=C1)OC2CC2)Br LN01326023 [0,1,0,1,0,0|2,0,0]=4 248 B12R2.2 C1CC(CN1)C2=CC=CC=C2 AC181320 [0,1,0,1,0,0|1,0,0]=3 249 B12R2.2 C1CC(CN1)C2=NC=CC=C2 AC020264 [0,1,0,1,0,0|2,0,0]=4 250 B12R2.2 C1CNC(C1)C2=CC=CN=C2 AC180329 [0,1,0,1,0,0|2,0,0]=4 251 B12R2.2 C1CNC(C1)C2=CC=NC=C2 AC181354 [0,1,0,1,0,0|2,0,0]=4 252 B12R2.116 NC1(CCC1)C2=CC=CC=C2 AC051111 [0,1,0,1,0,0|1,0,0]=3 253 B12R2.1081 BrC1=CC=CC2=C1CCNC2 AC182313 [0,1,0,1,0,0|1,0,0]=3 254 B12R2.1081 C1=CC=C2C(=C1)CCCC2N LN00224938 [0,1,0,1,0,0|1,0,0]=3 255 B12R2.1081 CC1=CC=CC2=C1CCNC2 LN00001082 [0,1,0,1,0,0|1,0,0]=3 256 B12R2.1081 CC1CNCC2=C1C=CC=C2 LN00001946 [0,1,0,1,0,0|1,0,0]=3 257 B12R2.1081 CC1CNCC2=CC=CC=C12 LN00245503 [0,1,0,1,0,0|1,0,0]=3 258 B12R2.1081 CC1NCCC2=C1C=CC=C2 AC181112 [0,1,0,1,0,0|1,0,0]=3 259 B12R2.1081 N=C1CCCC2=C1C=CC=C2 AC020396 [0,1,0,1,0,0|1,0,1]=4 260 B12R2.1081 NC1CCOC2=C1C=CC=C2 AC051203 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 AC020125 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 AC170078 [0,1,0,1,0,0|2,0,0]=4 263 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 AC020124 [0,1,0,1,0,0|2,0,0]=4 264 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AC182356 [0,1,0,1,0,0|2,0,0]=4 265 B12R2.1081 O=C1C=CC=C2CNCCN12 AC010178 [0,1,0,1,0,0|2,0,0]=4 266 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC220096 [0,1,0,1,0,0|1,0,1]=4 267 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AC510788 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.1081 O=C1COCC2=C1C=CC=C2 AC182447 [0,1,0,1,0,0|0,0,1]=3 269 B12R2.1081 OC1=CC=CC2=C1NCCC2 AC181471 [0,1,0,1,0,0|2,0,0]=4 270 B12R2.1081 OC1CCCC2=C1C=CC=C2 AC220110 [0,1,0,1,0,0|1,0,0]=3 271 B12R2.1081 OC1CCCC2=C1N=CC=C2 AC182113 [0,1,0,1,0,0|2,0,0]=4 272 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AC182462 [0,1,0,1,0,0|2,0,0]=4 273 B12R2.32 C#CC1CC2=CC=CC=C2C1 AC020195 [0,1,0,1,0,0|1,0,1]=4 274 B12R2.32 OCC1CC2=CC=CC=C2C1 AC050025 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.196 BrC1=CC=CC2=C1CCC2=O AC181309 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.196 CC1=CC=CC2=C1CCC2=O AC220154 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.196 OC1=CC=CC2=C1CCC2=O AC130287 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.203 BrC1=CC=CC2=C1C(=O)CC2 AC050920 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.203 ClC1=C2C(=O)CCC2=CC=C1 AC020058 [0,1,0,1,0,0|2,0,0]=4 280 B12R2.203 FC1=CC=CC2=C1C(=O)CC2 AC182102 [0,1,0,1,0,0|2,0,0]=4 281 B12R2.203 NC1CCC2=C1C(Br)=CC=C2 AC051018 [0,1,0,1,0,0|2,0,0]=4 282 B12R2.203 NC1CCC2=C1C(O)=CC=C2 AC051050 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.612 BrC1=CC2=C(C=C1)C(=O)CC2 AC500011 [0,1,0,1,0,0|2,0,0]=4 284 B12R2.612 C1CC(=O)C2=CC=C(C=C12)F LN00116021 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.612 C1CC(=O)C2=CC=C(C=C12)N LN00213518 [0,1,0,1,0,0|2,0,0]=4 286 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 AC220151 [0,1,0,1,0,0|2,0,0]=4 287 B12R2.612 ClC1=CC2=C(C=C1)C(=O)CC2 AC220152 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.1 C#CC1CCC2=CC=CC=C12 AC020078 [0,1,0,1,0,0|1,0,1]=4 289 B12R2.18 N[C@@H]1[C@H](O)CC2=C1C=CC=C2 AC180902 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.8 C(CO)C1=CSC=C1 LN00188198 [1,0,0,0,1,0|1,0,0]=3 291 B8R1.8 CNCC1=CSC=C1 AC030026 [1,0,0,0,1,0|2,0,0]=4 292 B8R1.8 NCCC1=CC=CO1 AC030027 [1,0,0,0,1,0|2,0,0]=4 293 B8R1.8 OCCC1=CNN=C1 AC511838 [1,0,0,0,1,0|2,0,0]=4 294 B8R1.8 OCCC1=CSC=C1 AC180238 [1,0,0,0,1,0|1,0,0]=3