0 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.15 BrCC(=O)C1=CC=NC=C1 AC190075 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 BrCC(=O)C1=NC=CC=C1 AC190303 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 C1=CC(=NC=C1)C(=O)CBr LN00004265 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 C1=CC=NC(=C1)C(=NN)O LN00336703 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.15 COC(=O)C1=CC=CN=C1 AC190178 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.15 COC(=O)C1=CC=NC=C1 AC180163 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.6 C1=CN=CC(=C1)B(O)O LN00004871 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 CN(C)C1=CC=NC=C1 AC131272 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [1,0,0,0,0,0|0,0,0]=1 27 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 OB(O)C1=CC=CC=C1 AC130043 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 OB(O)C1=CC=NC=C1 AC090084 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.6 OB(O)C1=CN=CC=C1 AC181089 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 OC(=O)C1=CC=CN=C1 AC510862 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 OC(=O)C1=CC=CN=C1 HY-B0143 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 OC(=O)C1=NC=CC=C1 AC190264 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 BrC#CC1=CC=CC=C1 AC511272 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 CNCC1=CC=CC=C1 AC500163 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 NCCC1=CC=CN=C1 AC500060 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 NNCC1=CC=CC=C1 AC500254 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 OCCC1=CC=NC=C1 AC511725 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 OCCC1=NC=CN=C1 AC051081 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 ONCC1=CC=CC=C1 AC180467 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.7 BrCS(=O)(=O)C1=CC=CC=C1 AC030196 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.7 CC(C)(C#C)C1=CC=CC=C1 AC020776 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.7 CC(C)(CN)C1=CC=CC=C1 AC050458 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.7 NCC(F)(F)C1=NC=CC=C1 AC020049 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.12 OCC(CO)C1=CC=CC=C1 AC511844 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.16 C1=CC=C(C=C1)[C@@H](CCO)N LN00219910 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.16 CCOC(=O)C1=CC=CC=N1 LN00174068 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.16 ClCOC(=O)C1=CC=CC=C1 AC511140 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.16 NC(CCO)C1=CC=CC=C1 AC181123 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC181203 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.16 O=C(CC#N)C1=CC=CC=C1 AC500022 [0,1,0,0,0,0|0,0,3]=4 55 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 AC180615 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.22 C1=C(C=CC(=C1)Br)C(=O)CN LN00146620 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.22 C1=C(C=CC(=C1)Cl)[C@@H](CO)N LN02185263 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.22 C1=C(C=CC(=C1)F)[C@H](CO)N LN01359282 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr AC500028 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.22 CC1=CC=C(C=C1)[C@@H](CO)N LN02185267 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br LN00225179 [0,1,0,0,0,0|0,0,2]=3 62 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AC021180 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.22 COC(=O)C1=CC=C(I)C=C1 AC130758 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AC500030 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.22 COC(=O)C1=CC=C(O)C=C1 AC190171 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.22 FC1=CC=C(C=C1)C(=O)CBr AC510754 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 AC512178 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.22 NCC(O)C1=CC=C(O)C=C1 HY-B0528A [0,1,0,0,0,0|1,0,0]=2 69 B11R1.23 C1=CC(=CC(=C1)Br)[C@@H](CO)N LN02151667 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr LN00145927 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.23 COC(=O)C1=CC=CC(I)=C1 AC130759 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.23 COC(=O)C1=CC=CC(O)=C1 AC021635 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.23 ClC1=CC(=CC=C1)C(=O)CBr AC181101 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 AC021444 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 AC020507 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AC020501 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.36 C1=CC=C(C=C1)[C@H](C(=N)O)N LN00176320 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 AC510790 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.36 C[C@@H](C(O)=O)C1=CC=CC=C1 AC190251 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.36 C[C@H](C(O)=O)C1=CC=CC=C1 AC180569 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 AC180081 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.222 C1=CC=C(C(=C1)[C@@H](CO)N)Cl LN02026918 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 AC060049 [0,1,0,0,0,0|0,0,2]=3 84 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 AC030031 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.222 COC(=O)C1=C(I)C=CC=C1 AC130757 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.222 FC1=CC=CC=C1C(=O)CBr AC190234 [0,1,0,0,0,0|1,0,2]=4 87 B11R2.1 NC1CCC2=CC=CC=C12 AC190231 [0,0,0,1,0,0|1,0,0]=2 88 B11R2.1 NC1COC2=NC=CC=C12 AC512024 [0,0,0,1,0,0|3,0,0]=4 89 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [0,0,0,1,0,0|0,0,2]=3 90 B11R2.1 O=C1CCC2=CC=CN=C12 AC182161 [0,0,0,1,0,0|1,0,2]=4 91 B11R2.1 O=C1CCC2=NC=CC=C12 AC511871 [0,0,0,1,0,0|1,0,2]=4 92 B11R2.1 O=C1COC2=C1C=CC=C2 AC130193 [0,0,0,1,0,0|1,0,2]=4 93 B11R2.1 O=C1CSC2=CC=CC=C12 AC182209 [0,0,0,1,0,0|1,0,2]=4 94 B11R2.1 O=C1NCC2=CC=CC=C12 AC511115 [0,0,0,1,0,0|1,0,2]=4 95 B11R2.1 OC1CCC2=CC=CN=C12 AC182162 [0,0,0,1,0,0|1,0,0]=2 96 B11R2.1 ON1N=NC2=C1C=CC=C2 AC131609 [0,0,0,1,0,0|3,0,0]=4 97 B11R2.4 C1=CC=C(C=C1)[C@@H]2C[C@H]2N LN00342917 [0,0,0,1,0,0|2,0,0]=3 98 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [0,0,0,1,0,0|2,0,0]=3 99 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC020065 [0,0,0,1,0,0|1,0,0]=2 100 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC050542 [0,0,0,1,0,0|1,0,0]=2 101 B11R1.40 BrCC(=O)NC1=CC=CC=C1 AC050571 [0,0,0,0,0,1|1,0,2]=4 102 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N LN00008763 [0,0,0,0,0,1|2,0,0]=3 103 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,0,0,0,0,1|1,0,2]=4 104 B11R1.40 NC(CO)CC1=CC=CC=C1 AC512047 [0,0,0,0,0,1|2,0,0]=3 105 B11R1.40 NCC(O)CC1=CC=CC=C1 AC050560 [0,0,0,0,0,1|1,0,0]=2 106 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC180085 [0,0,0,0,0,1|2,0,0]=3 107 B8R1.2 BrCC1=CC=CN=C1 AC190295 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.2 BrCC1=CC=NC=C1 AC190236 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.2 BrCC1=NC=CC=C1 AC190262 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.2 CNC1=NC=CC=C1 AC500327 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.2 COC1=CC=NC=C1 AC510883 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.2 ClCC1=CC=CC=N1 AC510931 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 ClCC1=CC=CN=C1 AC190048 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.2 NCC1=CC=CN=C1 AC512081 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.2 NCC1=CC=NC=C1 AC510741 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|0,0,0]=2 117 B8R1.2 OCC1=CC=CN=C1 AC500154 [2,0,0,0,0,0|1,0,0]=3 118 B8R1.2 OCC1=CC=NC=C1 AC510857 [2,0,0,0,0,0|1,0,0]=3 119 B8R1.2 OCC1=CN=CN=C1 AC170027 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.2 OCC1=NC=CC=C1 AC511744 [2,0,0,0,0,0|1,0,0]=3 121 B8R1.2 OCC1=NC=CC=N1 AC182042 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.2 ONC1=CC=CC=C1 AC500156 [2,0,0,0,0,0|1,0,0]=3 123 B8R1.2 SCC1=NC=CC=C1 AC100035 [2,0,0,0,0,0|1,1,0]=4 124 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O LN00159009 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.13 C1=C(C=CC(=C1)I)B(O)O LN00008579 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.13 C1=C(C=CC(=C1)O)B(O)O LN00138842 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [1,1,0,0,0,0|0,0,2]=4 128 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [1,1,0,0,0,0|0,0,2]=4 129 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [1,1,0,0,0,0|0,0,2]=4 130 B10R1.13 CC(C)C1=NC=C(C=C1)N LN00179988 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.13 CC1=CC=C(C=C1)B(O)O AC500015 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.13 CC1=CC=C(C=C1)C(O)=O AC190159 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.13 CN(C)C1=CC=C(C=C1)O LN00220688 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.13 C[C@@H](C1=NC=C(C=C1)Br)N LN02000998 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 AC020028 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.13 NC1=CC=C(C=C1)B(O)O AC090205 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.13 NC1=CC=C(C=C1)C(O)=O HY-B1008 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.13 OB(O)C1=CC=C(Br)C=C1 AC500010 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 AC180418 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.13 OB(O)C1=CC=C(F)C=C1 AC180417 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.13 OB(O)C1=CC=C(I)C=C1 AC181226 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.13 OB(O)C1=CC=C(O)C=C1 AC181172 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.13 OC(=O)C1=CC=C(I)C=C1 AC510881 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.13 OC(=O)C1=CC=C(O)C=C1 AC190218 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.13 OC1=CC=C(C=C1)C(F)F AC512172 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.28 CC(C)(C)C1=CC=NC=C1 AC180164 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.28 CC(C)(N)C1=CC=CC=C1 AC500102 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.28 CC(C)(N)C1=CC=CN=C1 AC182353 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.28 OS(=O)(=O)C1=CC=CC=C1 AC190167 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.61 C1=CC=C(C(=C1)C(=N)O)Br LN00236317 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.61 C1=CC=C(C(=C1)C(=N)O)I LN00200183 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.61 CC(=O)C1=CC=CC=C1Br AC511597 [1,1,0,0,0,0|0,0,2]=4 160 B10R1.61 CC(=O)C1=CC=CC=C1Cl AC500259 [1,1,0,0,0,0|0,0,2]=4 161 B10R1.61 CC(=O)C1=CC=CC=C1I LN00159959 [1,1,0,0,0,0|0,0,2]=4 162 B10R1.61 CC(=O)C1=CC=CC=C1N AC180212 [1,1,0,0,0,0|0,0,2]=4 163 B10R1.61 CC(=O)C1=CC=CC=C1O AC510427 [1,1,0,0,0,0|0,0,2]=4 164 B10R1.61 CC(C)C1=C(N)N=CC=C1 AC010483 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.61 CC1=C(C=CC=C1)B(O)O AC130310 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.61 CC1=C(C=CC=C1)C(O)=O AC511474 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.61 CN(C)C1=CC=CC=C1N AC511923 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [1,1,0,0,0,0|0,0,0]=2 169 B10R1.61 C[C@H](C1=CC=CC=C1Br)N LN02156247 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.61 C[C@H](N)C1=CC=CC=C1F AC181536 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [1,1,0,0,0,0|0,0,0]=2 172 B10R1.61 C[C@H](O)C1=CC=CN=C1N AC020958 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.61 FC(F)C1=CC=CC=C1Br AC010373 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.61 NC1=C(C=CC=C1)B(O)O AC090182 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.61 NC1=CC=CC=C1B(O)O AC510975 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 AC181084 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.61 OB(O)C1=CC=CC=C1Br AC090122 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.61 OB(O)C1=CC=CC=C1F AC130319 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.61 OB(O)C1=CC=CC=C1O AC181170 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.61 OC(=O)C1=C(Br)C=CC=C1 AC510993 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.61 OC(=O)C1=C(I)C=CC=C1 AC180035 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.61 OC(=O)C1=CC=CC=C1O HY-B0167 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.113 C1=CC(=CC(=C1)F)B(O)O LN00116374 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 AC500258 [1,1,0,0,0,0|0,0,2]=4 185 B10R1.113 CC(=O)C1=CC=CC(F)=C1 AC180005 [1,1,0,0,0,0|0,0,2]=4 186 B10R1.113 CC(C1=CC(=CC=C1)Br)N LN01347982 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.113 CC(N)C1=CC(O)=CC=C1 AC020799 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC021480 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC182169 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.113 CC1=CC(=CC=C1)B(O)O AC500109 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.113 CN(C)C1=CC=CC(O)=C1 AC190067 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AC511565 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 AC020029 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.113 NC1=CC(=CC=C1)B(O)O AC090217 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.113 NC1=CC=CC(=C1)B(O)O AC090109 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.113 NC1=CC=CC(=C1)B(O)O AC090193 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.113 OB(O)C1=CC(Br)=CC=C1 AC511068 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 AC180810 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.113 OB(O)C1=CC(F)=CC=C1 AC180959 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.113 OB(O)C1=CC(O)=CC=C1 AC181171 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.113 OC(=O)C1=CC(O)=CC=C1 AC190160 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.1 BrC1=CC=C(CC#N)C=C1 AC500226 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.1 C1=C(C=CC(=C1)Br)CC=O LN00171423 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.1 C1=C(C=CC(=C1)Br)CCO LN00010340 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.1 C1=C(C=CC(=C1)Cl)CC=O LN01308797 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.1 C1=C(C=CC(=C1)F)CCO LN00009366 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.1 CC1=CC=C(C=C1)CC=O LN00179940 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.1 CCOC1=CC=C(I)C=C1 AC190197 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.1 CNCC1=CC=C(Br)C=C1 AC181858 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.1 CNCC1=CC=C(C)C=C1 AC181832 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC180340 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.1 FC1=CC=C(CCBr)C=C1 AC181747 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.1 IC1=CC=C(CC#N)C=C1 AC511918 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.1 NC1=CC=C(CC#N)C=C1 AC180221 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.1 NCCC1=CC=C(Br)C=C1 AC510947 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.1 NCCC1=CC=C(F)C=C1 AC511531 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.1 NCCC1=CC=C(N)C=C1 AC181788 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.1 NNCC1=CC=C(F)C=C1 AC070102 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.1 NOCC1=CC=C(Cl)C=C1 AC010098 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.1 OCCC1=CC=C(Br)C=C1 AC511093 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.1 OCCC1=CC=C(Cl)C=C1 AC180054 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.1 OCCC1=CC=C(F)C=C1 AC190322 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.4 C1=CC=C(C(=C1)CC=O)Br LN00181697 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.4 C1=CC=C(C(=C1)CC=O)Cl LN00180075 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.4 C1=CC=C(C(=C1)CC=O)F LN00181093 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.4 C1=CC=C(C(=C1)CCO)Br LN00142608 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.4 C1=CC=C(C(=C1)CCO)Cl LN00192290 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.4 CC1=C(CON)C=CC=C1 AC010097 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.4 CC1=CC=CC=C1CC#N AC512146 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.4 CC1=CC=CC=C1CC=O LN00181191 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.4 CCOC1=CC=CC=C1N AC190317 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.4 NCCC1=CC=CC=C1N AC070086 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.4 NCCC1=CC=CC=C1O AC050448 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.4 OCCC1=CC=CC=C1Br AC180682 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.10 C1=CC(=CC(=C1)Br)CC=O LN00181220 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.10 C1=CC(=CC(=C1)Cl)CC=O LN00179867 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.10 C1=CC(=CC(=C1)F)CC=O LN00241763 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.10 CC1=CC(=CC=C1)CC=O LN00181749 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [1,1,0,0,0,0|0,0,0]=2 242 B10R1.10 CCCC1=NC=CC(=C1)Br LN02162802 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.10 CCOC1=CC=CC(N)=C1 AC020532 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.10 CCOC1=NC=CC(N)=C1 AC180955 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.10 CNCC1=CC=CC(Br)=C1 AC181856 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC511209 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.17 C1=CC=C(C=C1)C#CCO LN00160166 [1,1,0,0,0,0|0,0,2]=4 251 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [1,1,0,0,0,0|1,0,0]=3 252 B10R1.17 COCOC1=CN=CC=C1 AC080496 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.17 NCCOC1=CC=CN=C1 AC182690 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.17 NCCOC1=NC=CC=C1 AC180673 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [1,1,0,0,0,0|1,0,0]=3 258 B10R1.17 OCC#CC1=CC=CC=C1 AC500097 [1,1,0,0,0,0|0,0,2]=4 259 B10R1.17 OCCCC1=CC=NC=C1 AC180489 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 AC021262 [0,1,0,0,1,0|2,0,0]=4 266 B12R1.32 CCOC(=O)CC1=CC=CC=C1 AC500159 [0,1,0,0,0,1|0,0,2]=4 267 B12R1.43 O[C@@H](CC1=CC=CC=C1)C(O)=O AC511592 [0,1,0,0,0,1|1,0,1]=4 268 B12R1.118 OCC(CO)CC1=CC=CC=C1 AC021392 [0,1,0,0,0,1|1,0,0]=3 269 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 HY-B0938 [0,1,0,0,0,1|2,0,0]=4 270 B12R1.10 CC[N+](C)(C)C1=CC=CC(O)=C1 HY-B0882 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.13 CCN(CC)C1=CC=CC(O)=C1 AC190168 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.478 NC[C@H](C(O)=O)C1=CC=CC=C1 AC181186 [0,2,0,0,0,0|1,0,0]=3 273 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 AC510776 [0,2,0,0,0,0|0,0,2]=4 274 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 HY-Y0258 [0,2,0,0,0,0|0,0,2]=4 275 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HY-B0934 [0,2,0,0,0,0|0,0,2]=4 276 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HY-N0132A [0,2,0,0,0,0|0,0,0]=2 277 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 AC181635 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 AC130047 [0,2,0,0,0,0|0,0,2]=4 279 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 AC010553 [0,2,0,0,0,0|0,0,2]=4 280 B12R1.17 CCOC(=O)C1=CC=CC(I)=C1 AC030144 [0,2,0,0,0,0|0,0,2]=4 281 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 HY-B0769 [0,2,0,0,0,0|0,0,0]=2 282 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 HY-B0471 [0,2,0,0,0,0|0,0,0]=2 283 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O LN00173205 [0,2,0,0,0,0|0,0,1]=3 284 B12R1.107 NC(CC(O)=O)C1=CC=CC=C1 AC180223 [0,2,0,0,0,0|1,0,1]=4 285 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 AC181187 [0,2,0,0,0,0|1,0,1]=4 286 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715A [0,2,0,0,0,0|1,0,0]=3 287 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715B [0,2,0,0,0,0|1,0,0]=3 288 B12R1.225 CC(Br)C(=O)C1=CC=CC(Cl)=C1 AC190230 [0,2,0,0,0,0|0,0,2]=4 289 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 HY-B1116 [0,2,0,0,0,0|0,0,0]=2 290 B12R1.358 CCC(=O)C1=CC(=CC(=C1)Cl)Cl LN02043379 [0,2,0,0,0,0|0,0,2]=4 291 B12R1.435 COC1=CC(=CC=C1)[C@@H](CO)N LN02224104 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.124 OC(C(O)=O)C1=CC=CC=C1Cl AC180660 [0,2,0,0,0,0|1,0,1]=4 293 B12R1.124 O[C@H](C(O)=O)C1=CC=CC=C1Cl AC181111 [0,2,0,0,0,0|1,0,1]=4 294 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [1,0,0,1,0,0|2,0,0]=4 295 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [1,0,0,1,0,0|1,0,0]=3 296 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [1,0,0,1,0,0|1,0,0]=3 297 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [1,0,0,1,0,0|2,0,0]=4 298 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [1,0,0,1,0,0|1,0,0]=3 299 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [1,0,0,1,0,0|2,0,0]=4 300 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [1,0,0,1,0,0|1,0,0]=3 301 B10R2.7 C1NCC2=CN=CC=C12 AC182745 [1,0,0,1,0,0|2,0,0]=4 302 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [1,0,0,1,0,0|1,0,0]=3 303 B10R2.32 C1CN2C=CN=C2C1O LN00005166 [0,0,0,1,1,0|2,0,0]=4 304 B12R2.18 CN1C2=CC=CC=C2N=C1O LN00248545 [0,0,0,1,0,1|1,0,1]=4 305 B12R2.18 N[C@@H]1[C@H](O)CC2=C1C=CC=C2 AC180902 [0,0,0,1,0,1|1,0,0]=3 306 B12R2.24 NC1CCC2=C(C1)C=CC=C2 AC511993 [0,0,0,1,0,1|1,0,0]=3 307 B12R2.24 NC1CSC2=CC=CC=C2C1 AC320002 [0,0,0,1,0,1|2,0,0]=4 308 B12R2.24 N[C@@H]1COC2=C(C1)C=CC=C2 AC182794 [0,0,0,1,0,1|2,0,0]=4 309 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 AC160458 [0,0,0,1,0,1|0,0,2]=4 310 B12R2.24 O=C1CCC2=CC=CC=C2N1 AC180323 [0,0,0,1,0,1|0,0,2]=4 311 B12R2.24 OC1CCC2=CC=CC=C2C1 AC220098 [0,0,0,1,0,1|0,0,0]=2 312 B12R2.32 OCC1CC2=CC=CC=C2C1 AC050025 [0,0,0,1,0,1|2,0,0]=4 313 B12R2.116 NC1(CCC1)C2=CC=CC=C2 AC051111 [0,1,0,1,0,0|1,0,0]=3 314 B12R2.1 C#CC1CCC2=CC=CC=C12 AC020078 [0,1,0,1,0,0|1,0,0]=3 315 B12R2.2 C1CC(CN1)C2=CC=CC=C2 AC181320 [0,1,0,1,0,0|1,0,0]=3 316 B12R2.2 C1CC(CN1)C2=NC=CC=C2 AC020264 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.2 C1CNC(C1)C2=CC=CN=C2 AC180329 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.2 C1CNC(C1)C2=CC=NC=C2 AC181354 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.1081 C1=CC=C2C(=C1)CCCC2N LN00224938 [0,1,0,1,0,0|1,0,0]=3 320 B12R2.1081 CC1CNCC2=C1C=CC=C2 LN00001946 [0,1,0,1,0,0|1,0,0]=3 321 B12R2.1081 CC1CNCC2=CC=CC=C12 LN00245503 [0,1,0,1,0,0|1,0,0]=3 322 B12R2.1081 CC1NCCC2=C1C=CC=C2 AC181112 [0,1,0,1,0,0|1,0,0]=3 323 B12R2.1081 N=C1CCCC2=C1C=CC=C2 AC020396 [0,1,0,1,0,0|1,0,1]=4 324 B12R2.1081 NC1CCOC2=C1C=CC=C2 AC051203 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 AC020125 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 AC170078 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 AC020124 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AC182356 [0,1,0,1,0,0|1,0,0]=3 329 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC220096 [0,1,0,1,0,0|0,0,2]=4 330 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AC510788 [0,1,0,1,0,0|0,0,2]=4 331 B12R2.1081 O=C1COCC2=C1C=CC=C2 AC182447 [0,1,0,1,0,0|0,0,2]=4 332 B12R2.1081 OC1CCCC2=C1C=CC=C2 AC220110 [0,1,0,1,0,0|0,0,0]=2 333 B12R2.1081 OC1CCCC2=C1N=CC=C2 AC182113 [0,1,0,1,0,0|1,0,0]=3 334 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AC182462 [0,1,0,1,0,0|0,0,2]=4 335 B12R2.612 BrC1=CC2=C(C=C1)C(=O)CC2 AC500011 [0,1,0,1,0,0|0,0,2]=4 336 B12R2.612 C1CC(=O)C2=CC=C(C=C12)F LN00116021 [0,1,0,1,0,0|0,0,2]=4 337 B12R2.612 C1CC(=O)C2=CC=C(C=C12)N LN00213518 [0,1,0,1,0,0|0,0,2]=4 338 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 AC220151 [0,1,0,1,0,0|0,0,2]=4 339 B12R2.612 ClC1=CC2=C(C=C1)C(=O)CC2 AC220152 [0,1,0,1,0,0|0,0,2]=4 340 B12R2.612 OB1OCC2=CC(F)=CC=C12 HY-10980 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.132 BrC1=CC2=C(CCC2=O)C=C1 AC181424 [0,1,0,1,0,0|0,0,2]=4 342 B12R2.132 CC1=CC2=C(C=C1)CCC2=O LN00220913 [0,1,0,1,0,0|0,0,2]=4 343 B12R2.132 ClC1=CC2=C(CCC2=O)C=C1 AC181146 [0,1,0,1,0,0|0,0,2]=4 344 B12R2.132 OC1=CC2=C(CCC2=O)C=C1 AC510898 [0,1,0,1,0,0|0,0,2]=4 345 B12R2.196 BrC1=CC=CC2=C1CCC2=O AC181309 [0,1,0,1,0,0|0,0,2]=4 346 B12R2.196 C1CC(C2=C1C(=CC=N2)Cl)O LN00175117 [0,1,0,1,0,0|1,0,0]=3 347 B12R2.196 CC1=CC=CC2=C1CCC2=O AC220154 [0,1,0,1,0,0|0,0,2]=4 348 B12R2.196 OC1=CC=CC2=C1CCC2=O AC130287 [0,1,0,1,0,0|0,0,2]=4 349 B12R2.196 OC1CCC2=C(Cl)C=CN=C12 AC070070 [0,1,0,1,0,0|1,0,0]=3 350 B12R2.203 BrC1=CC=CC2=C1C(=O)CC2 AC050920 [0,1,0,1,0,0|0,0,2]=4 351 B12R2.203 ClC1=C2C(=O)CCC2=CC=C1 AC020058 [0,1,0,1,0,0|0,0,2]=4 352 B12R2.203 FC1=CC=CC2=C1C(=O)CC2 AC182102 [0,1,0,1,0,0|0,0,2]=4 353 B12R2.203 NC1CCC2=C1C(Br)=CC=C2 AC051018 [0,1,0,1,0,0|1,0,0]=3 354 B12R2.203 NC1CCC2=C1C(O)=CC=C2 AC051050 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [1,0,0,0,1,0|2,0,0]=4 356 B8R1.8 C(CO)C1=CSC=C1 LN00188198 [1,0,0,0,1,0|2,0,0]=4 357 B8R1.8 CNCC1=CSC=C1 AC030026 [1,0,0,0,1,0|2,0,0]=4 358 B8R1.8 NCCC1=CC=CO1 AC030027 [1,0,0,0,1,0|2,0,0]=4 359 B8R1.8 OCCC1=CSC=C1 AC180238 [1,0,0,0,1,0|2,0,0]=4 360 B12R1.27 CC(CO)NCC1=CC=CC=C1 AC030107 [0,0,0,0,0,2|2,0,0]=4