0 B9R1.6 C1=CN=CC(=C1)B(O)O LN00004871 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.6 CC(=O)C1=CN=CC=N1 AC510694 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.6 CC(=O)C1=CN=CN=C1 AC050215 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.6 CC(=O)C1=NC=CC=N1 AC182273 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 CC(=O)C1=NC=NC=C1 LN00221164 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.6 CN(C)C1=CC=NC=C1 AC131272 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 NC(=N)C1=CC=CN=C1 AC180531 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.6 NC(=S)C1=NC=CC=C1 AC180667 [0,0,0,0,0,0|2,1,1]=4 20 B9R1.6 OB(O)C1=CC=CC=C1 AC130043 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 OB(O)C1=CC=NC=C1 AC090084 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 OB(O)C1=CN=CC=C1 AC181089 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 OB(O)C1=CN=CN=C1 AC130009 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.6 OC(=O)C1=CC=CN=C1 AC510862 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.6 OC(=O)C1=CC=CN=C1 HY-B0143 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.6 OC(=O)C1=CC=NN=C1 AC180268 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.6 OC(=O)C1=CN=CN=C1 AC020529 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.6 OC(=O)C1=NC=CC=C1 AC190264 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.6 OC(=O)C1=NC=CC=N1 AC181135 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 OC(=O)C1=NC=CN=C1 AC021096 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.6 OC(=O)C1=NC=NC=C1 AC180734 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.6 OC(=O)C1=NN=CC=C1 AC511154 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.2 BrCC1=CC=CN=C1 AC190295 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 BrCC1=CC=NC=C1 AC190236 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 BrCC1=NC=CC=C1 AC190262 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 C#CC1=CC=CC=N1 AC180444 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.2 C#CC1=CC=CN=C1 AC500275 [1,0,0,0,0,0|1,0,2]=4 38 B8R1.2 C#CC1=CC=NC=C1 AC181543 [1,0,0,0,0,0|1,0,2]=4 39 B8R1.2 C#CC1=CC=NC=C1 AC511059 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.2 CNC1=CN=CC=N1 LN00001826 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 CNC1=NC=CC=C1 AC500327 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.2 COC1=CC=NC=C1 AC510883 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 CSC1=CN=CC=N1 LN00220945 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 ClCC1=CC=CC=N1 AC510931 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 ClCC1=CC=CN=C1 AC190048 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 ClCC1=NC=CC=N1 AC182476 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 NCC1=CC=CN=C1 AC512081 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 NCC1=CC=NC=C1 AC510741 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 NCC1=CC=NC=N1 AC511312 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 NCC1=NC=CC=N1 AC182213 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 NCC1=NC=CN=C1 AC511030 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 NNC1=CC=CN=C1 AC182314 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 NNC1=CC=NC=C1 AC511160 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 NNC1=NC=CC=C1 AC510793 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 O=CC1=CC=CN=C1 AC170118 [1,0,0,0,0,0|1,0,2]=4 56 B8R1.2 O=CC1=CC=NC=C1 AC180162 [1,0,0,0,0,0|1,0,2]=4 57 B8R1.2 O=CC1=NC=CC=C1 AC500026 [1,0,0,0,0,0|1,0,2]=4 58 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [1,0,0,0,0,0|0,0,0]=1 59 B8R1.2 OCC1=CC=CN=C1 AC500154 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.2 OCC1=CC=NC=C1 AC510857 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 OCC1=CN=CN=C1 AC170027 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 OCC1=NC=CC=C1 AC511744 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.2 OCC1=NC=CC=N1 AC182042 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 ONC1=CC=CC=C1 AC500156 [1,0,0,0,0,0|1,0,0]=2 65 B8R1.2 SCC1=NC=CC=C1 AC100035 [1,0,0,0,0,0|1,1,0]=3 66 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O LN00159009 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.13 C1=C(C=CC(=C1)I)B(O)O LN00008579 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.13 C1=C(C=CC(=C1)O)B(O)O LN00138842 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.13 C1=CC(=N)NC=C1B(O)O LN00194883 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.13 C1=CC(=NC=C1Br)C(=O)O LN00009289 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 AC511499 [0,1,0,0,0,0|1,0,2]=4 72 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [0,1,0,0,0,0|0,0,2]=3 73 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AC181609 [0,1,0,0,0,0|1,0,2]=4 74 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC182130 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [0,1,0,0,0,0|0,0,2]=3 76 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [0,1,0,0,0,0|0,0,2]=3 77 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [0,1,0,0,0,0|1,0,2]=4 78 B10R1.13 CC(=O)C1=CN=C(C=C1)Br LN00170457 [0,1,0,0,0,0|1,0,2]=4 79 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 AC181883 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.13 CC(C)C1=NC=C(C=C1)N LN00179988 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.13 CC1=CC=C(C=C1)B(O)O AC500015 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.13 CC1=CC=C(C=C1)C(O)=O AC190159 [0,1,0,0,0,0|1,0,1]=3 84 B10R1.13 CC1=CC=C(C=C1)S([O-])=O AC510965 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.13 CC1=CN=C(C=C1)C(O)=O AC181304 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.13 CC1=NC=C(C=C1)B(O)O AC190074 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.13 CN(C)C1=CC=C(C=C1)O LN00220688 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.13 C[C@@H](C1=NC=C(C=C1)Br)N LN02000998 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 AC020028 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 AC020930 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 NC(=N)C1=CC=C(Br)C=C1 AC181036 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.13 NC(=N)C1=CC=C(Cl)C=C1 AC180714 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.13 NC(=N)C1=CC=C(N)C=C1 AC511622 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AC190321 [0,1,0,0,0,0|1,0,2]=4 101 B10R1.13 NC(=O)C1=CC=C(F)C=C1 AC511804 [0,1,0,0,0,0|1,0,2]=4 102 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 AC180441 [0,1,0,0,0,0|1,1,1]=4 103 B10R1.13 NC1=CC=C(C=C1)B(O)O AC090205 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 NC1=CC=C(C=C1)C(O)=O HY-B1008 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.13 NC1=CC=C(N=C1)C(O)=O AC181509 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.13 OB(O)C1=CC=C(Br)C=C1 AC500010 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 AC180418 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.13 OB(O)C1=CC=C(F)C=C1 AC180417 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.13 OB(O)C1=CC=C(F)N=C1 AC130003 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 OB(O)C1=CC=C(I)C=C1 AC181226 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.13 OB(O)C1=CC=C(O)C=C1 AC181172 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.13 OB(O)C1=CC=C(O)N=C1 AC190026 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 OC(=O)C1=CC=C(Br)C=N1 AC180939 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AC181373 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.13 OC(=O)C1=CC=C(Cl)N=C1 AC180144 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.13 OC(=O)C1=CC=C(F)N=C1 AC512097 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.13 OC(=O)C1=CC=C(I)C=C1 AC510881 [0,1,0,0,0,0|1,0,1]=3 118 B10R1.13 OC(=O)C1=CC=C(O)C=C1 AC190218 [0,1,0,0,0,0|1,0,1]=3 119 B10R1.13 OC(=O)C1=CC=C(O)C=N1 AC181066 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.13 OC(=O)C1=CC=C(O)N=C1 AC180148 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.13 OC(=O)C1=NC=C(Cl)C=C1 AC510981 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.13 OC(=O)C1=NC=C(F)C=C1 AC181804 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.13 OC1=CC=C(C=C1)C(F)F AC512172 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 [O-][N+](=O)C1=CC=C(F)C=C1 AC500316 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [0,1,0,0,0,0|0,0,2]=3 126 B10R1.15 BrCC(=O)C1=CC=NC=C1 AC190075 [0,1,0,0,0,0|1,0,2]=4 127 B10R1.15 BrCC(=O)C1=NC=CC=C1 AC190303 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.15 C/C(=N\O)C1=CC=CN=C1 AC170016 [0,1,0,0,0,0|1,0,1]=3 129 B10R1.15 C1=CC(=NC=C1)C(=O)CBr LN00004265 [0,1,0,0,0,0|1,0,2]=4 130 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [0,1,0,0,0,0|0,0,2]=3 131 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [0,1,0,0,0,0|0,0,0]=1 132 B10R1.15 C1=CC=NC(=C1)C(=NN)O LN00336703 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [0,1,0,0,0,0|0,0,1]=2 134 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.15 COC(=O)C1=CC=CN=C1 AC190178 [0,1,0,0,0,0|1,0,2]=4 136 B10R1.15 COC(=O)C1=CC=NC=C1 AC180163 [0,1,0,0,0,0|1,0,2]=4 137 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [0,1,0,0,0,0|0,0,2]=3 138 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [0,1,0,0,0,0|0,0,0]=1 139 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [0,1,0,0,0,0|0,0,2]=3 142 B10R1.28 CC(C)(C)C1=CC=NC=C1 AC180164 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.28 CC(C)(N)C1=CC=CC=C1 AC500102 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.28 CC(C)(N)C1=CC=CN=C1 AC182353 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.28 ClS(=O)(=O)C1=CC=CC=C1 AC190208 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.28 FC(F)(F)C1=CC=CN=C1 AC220128 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.28 FC(F)(F)C1=NC=CC=C1 AC181450 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.28 F[B-](F)(F)C1=CC=CC=C1 AC511097 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.28 OS(=O)(=O)C1=CC=CC=C1 AC190167 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.61 C1=C(C(=CN=C1)Br)C(=O)O LN00009298 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.61 C1=CC(=C(C(=O)O)N=C1)F LN00173629 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.61 C1=CC=C(C(=C1)C(=N)O)Br LN00236317 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.61 C1=CC=C(C(=C1)C(=N)O)I LN00200183 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.61 CC(=O)C1=CC=CC=C1Br AC511597 [0,1,0,0,0,0|0,0,2]=3 155 B10R1.61 CC(=O)C1=CC=CC=C1Cl AC500259 [0,1,0,0,0,0|0,0,2]=3 156 B10R1.61 CC(=O)C1=CC=CC=C1I LN00159959 [0,1,0,0,0,0|0,0,2]=3 157 B10R1.61 CC(=O)C1=CC=CC=C1N AC180212 [0,1,0,0,0,0|0,0,2]=3 158 B10R1.61 CC(=O)C1=CC=CC=C1O AC510427 [0,1,0,0,0,0|0,0,2]=3 159 B10R1.61 CC(=O)C1=CC=CN=C1Cl AC181741 [0,1,0,0,0,0|1,0,2]=4 160 B10R1.61 CC(C)C1=C(N)N=CC=C1 AC010483 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.61 CC1=C(C=CC=C1)B(O)O AC130310 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.61 CC1=C(C=CC=C1)C(O)=O AC511474 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.61 CC1=C(C=CN=C1)C(O)=O AC270034 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.61 CC1=CC=CN=C1C(O)=O AC180861 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.61 CC1=CC=NC=C1C(O)=O AC180723 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.61 CC1=NC=CC=C1C(O)=O AC180300 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.61 CN(C)C1=CC=CC=C1N AC511923 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [0,1,0,0,0,0|0,0,0]=1 169 B10R1.61 C[C@H](C1=CC=CC=C1Br)N LN02156247 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.61 C[C@H](N)C1=CC=CC=C1F AC181536 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [0,1,0,0,0,0|0,0,0]=1 172 B10R1.61 C[C@H](O)C1=CC=CN=C1N AC020958 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.61 FC(F)C1=CC=CC=C1Br AC010373 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.61 NC(=O)C1=C(N)C=CC=C1 AC190185 [0,1,0,0,0,0|1,0,2]=4 175 B10R1.61 NC(=O)C1=CC=CC=C1I AC190079 [0,1,0,0,0,0|1,0,2]=4 176 B10R1.61 NC1=C(C=CC=C1)B(O)O AC090182 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.61 NC1=C(C=CN=C1)C(O)=O AC180749 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.61 NC1=C(C=NC=C1)C(O)=O AC180942 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.61 NC1=CC=CC=C1B(O)O AC510975 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.61 NC1=CC=CN=C1C(O)=O AC180670 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.61 NC1=NC=CC=C1C(O)=O AC510818 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 AC181084 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.61 OB(O)C1=C(F)N=CC=C1 AC130013 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.61 OB(O)C1=CC=CC=C1Br AC090122 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.61 OB(O)C1=CC=CC=C1F AC130319 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.61 OB(O)C1=CC=CC=C1O AC181170 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.61 OB(O)C1=CC=CN=C1Cl AC090149 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.61 OC(=O)C1=C(Br)C=CC=C1 AC510993 [0,1,0,0,0,0|1,0,1]=3 189 B10R1.61 OC(=O)C1=C(Br)N=CC=C1 AC130049 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.61 OC(=O)C1=C(Cl)C=NC=C1 AC181556 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.61 OC(=O)C1=C(F)C=NC=C1 AC160422 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.61 OC(=O)C1=C(I)C=CC=C1 AC180035 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.61 OC(=O)C1=CC=CC=C1O HY-B0167 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.61 OC(=O)C1=CC=CN=C1Cl AC511646 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.61 OC(=O)C1=CC=CN=C1F AC130164 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.61 OC(=O)C1=CC=NC=C1Br AC180440 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.61 OC(=O)C1=CC=NC=C1O AC170008 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.61 OC(=O)C1=CN=CC=C1Cl AC180720 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.61 OC(=O)C1=NC=CC=C1Br AC181228 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.61 OC(=O)C1=NC=CC=C1Cl AC181291 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.61 OC(=O)C1=NC=CC=C1F AC181795 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.61 OC(=O)C1=NC=CC=C1O AC180151 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.61 OC1=CC=CC=C1C([O-])=O HY-B0167A [0,1,0,0,0,0|1,0,2]=4 204 B10R1.113 C1=C(C=NC=C1C(=O)O)Cl LN00003135 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.113 C1=CC(=CC(=C1)F)B(O)O LN00116374 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)O LN00009301 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.113 C1=CC(=NC(=C1)F)C(=O)O LN00009991 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AC020983 [0,1,0,0,0,0|1,0,2]=4 209 B10R1.113 CC(=O)C1=CC=CC(=N1)Br LN00004057 [0,1,0,0,0,0|1,0,2]=4 210 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 AC500258 [0,1,0,0,0,0|0,0,2]=3 211 B10R1.113 CC(=O)C1=CC=CC(F)=C1 AC180005 [0,1,0,0,0,0|0,0,2]=3 212 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 AC511684 [0,1,0,0,0,0|1,0,2]=4 213 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 AC180989 [0,1,0,0,0,0|1,0,2]=4 214 B10R1.113 CC(=O)C1=NC(C)=CC=C1 AC181994 [0,1,0,0,0,0|1,0,2]=4 215 B10R1.113 CC(C1=CC(=CC=C1)Br)N LN01347982 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.113 CC(N)C1=CC(O)=CC=C1 AC020799 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC021480 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC182169 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.113 CC1=CC(=CC=C1)B(O)O AC500109 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.113 CC1=CC(=CC=N1)C(=O)O LN00011005 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.113 CC1=CC(=CN=C1)C(O)=O AC181129 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.113 CC1=CC=CC(=N1)B(O)O AC511263 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.113 CC1=CC=CC(=N1)C(O)=O AC180370 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.113 CC1=CN=CC(=C1)B(O)O AC181676 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.113 CC1=NC=CC(=C1)C(O)=O AC510752 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 AC160486 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.113 CN(C)C1=CC=CC(O)=C1 AC190067 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AC511565 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 AC020029 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.113 NC(=N)C1=CC=CC(Br)=C1 AC181813 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.113 NC(=O)C1=CC=CC(N)=C1 HY-12022 [0,1,0,0,0,0|1,0,2]=4 232 B10R1.113 NC1=CC(=CC=C1)B(O)O AC090217 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.113 NC1=CC(=CC=N1)C(O)=O AC180915 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.113 NC1=CC=CC(=C1)B(O)O AC090109 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.113 NC1=CC=CC(=C1)B(O)O AC090193 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.113 NC1=CC=CC(=N1)C(O)=O AC180914 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.113 NC1=CN=CC(=C1)C(O)=O AC180732 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.113 OB(O)C1=CC(Br)=CC=C1 AC511068 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 AC180810 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.113 OB(O)C1=CC(Cl)=CN=C1 AC090234 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.113 OB(O)C1=CC(Cl)=NC=C1 AC090167 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.113 OB(O)C1=CC(F)=CC=C1 AC180959 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.113 OB(O)C1=CC(F)=CN=C1 AC050683 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.113 OB(O)C1=CC(O)=CC=C1 AC181171 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.113 OB(O)C1=CC=NC(F)=C1 AC090152 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.113 OC(=O)C1=CC(=O)NC=C1 AC181219 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.113 OC(=O)C1=CC(Cl)=CC=N1 AC180860 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AC511765 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.113 OC(=O)C1=CC(F)=CN=C1 AC511690 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AC181447 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.113 OC(=O)C1=CC(I)=NC=C1 AC190088 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.113 OC(=O)C1=CC(O)=CC=C1 AC190160 [0,1,0,0,0,0|1,0,1]=3 253 B10R1.113 OC(=O)C1=CC=CC(=O)N1 AC180866 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.113 OC(=O)C1=CC=NC(Br)=C1 AC181281 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.113 OC(=O)C1=CN(=O)=CC=C1 HY-B1061 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.113 OC(=O)C1=CN=CC(Cl)=C1 AC180728 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.113 OC(=O)C1=CN=CC(O)=C1 AC500286 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AC510356 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.113 OC(=O)C1=NC(Cl)=CC=C1 AC180794 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.113 OC(=O)C1=NC=CC(Br)=C1 AC511849 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.113 OC(=O)C1=NC=CC(O)=C1 AC181051 [0,1,0,0,0,0|2,0,1]=4 262 B8R1.7 C1=COC(=C1)B(O)O LN00004521 [0,0,0,0,1,0|3,0,0]=4 263 B8R1.7 C1=CSC(=C1)B(O)O LN00117282 [0,0,0,0,1,0|3,0,0]=4 264 B8R1.7 C1=CSC=C1B(O)O LN00163120 [0,0,0,0,1,0|3,0,0]=4 265 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [0,0,0,0,1,0|1,0,2]=4 266 B8R1.7 CC(=O)C1=CSC=C1 AC500077 [0,0,0,0,1,0|1,0,2]=4 267 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [0,0,0,0,1,0|2,0,0]=3 268 B8R1.7 CC(C)C1=NC=CN1 AC130259 [0,0,0,0,1,0|3,0,0]=4 269 B8R1.7 CC(C)N1C=CC=N1 AC130056 [0,0,0,0,1,0|3,0,0]=4 270 B8R1.7 CC(N)C1=NC=CS1 AC182658 [0,0,0,0,1,0|3,0,0]=4 271 B8R1.7 OB(O)C1=CC=CO1 AC130268 [0,0,0,0,1,0|3,0,0]=4 272 B8R1.7 OB(O)C1=CC=CS1 AC010326 [0,0,0,0,1,0|3,0,0]=4 273 B8R1.7 OB(O)C1=COC=C1 AC130294 [0,0,0,0,1,0|3,0,0]=4 274 B8R1.7 OB(O)C1=CSC=C1 AC130010 [0,0,0,0,1,0|3,0,0]=4 275 B8R1.7 OC(=O)C1=CC=CO1 AC510992 [0,0,0,0,1,0|2,0,1]=4 276 B8R1.7 OC(=O)C1=CNC=C1 AC181119 [0,0,0,0,1,0|2,0,1]=4 277 B8R1.7 OC(=O)C1=CSC=C1 AC310080 [0,0,0,0,1,0|2,0,1]=4 278 B10R1.18 C1=C(C=CN=C1)CC(=O)O LN00224216 [0,0,0,0,0,1|2,0,1]=4 279 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [0,0,0,0,0,1|1,0,1]=3 280 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [0,0,0,0,0,1|1,0,2]=4 281 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [0,0,0,0,0,1|1,0,2]=4 282 B10R1.18 ClC(=S)OC1=CC=CC=C1 AC500117 [0,0,0,0,0,1|1,1,1]=4 283 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [0,0,0,0,0,1|1,0,2]=4 284 B10R1.18 OC(=O)CC1=CC=CN=C1 AC290044 [0,0,0,0,0,1|2,0,1]=4 285 B10R1.18 OC(=O)CC1=CC=NC=C1 AC180287 [0,0,0,0,0,1|2,0,1]=4 286 B7R1.3 BrC1=CC=NC=C1 AC180288 [2,0,0,0,0,0|2,0,0]=4 287 B7R1.3 BrC1=NC=CC=C1 AC130148 [2,0,0,0,0,0|2,0,0]=4 288 B7R1.3 C1=NC=NC=C1O LN00004994 [2,0,0,0,0,0|2,0,0]=4 289 B7R1.3 CC1=CC=CN=N1 AC510670 [2,0,0,0,0,0|2,0,0]=4 290 B7R1.3 CC1=CC=NC=N1 AC021043 [2,0,0,0,0,0|2,0,0]=4 291 B7R1.3 CC1=CN=CN=C1 AC050446 [2,0,0,0,0,0|2,0,0]=4 292 B7R1.3 ClC1=CC=CN=C1 AC510157 [2,0,0,0,0,0|2,0,0]=4 293 B7R1.3 FC1=CC=CN=C1 AC510740 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.3 IC1=CC=CC=C1 AC130763 [2,0,0,0,0,0|1,0,0]=3 295 B7R1.3 IC1=CC=CC=N1 AC190289 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.3 IC1=CC=CN=C1 AC180371 [2,0,0,0,0,0|2,0,0]=4 297 B7R1.3 IC1=CC=NC=C1 AC181399 [2,0,0,0,0,0|2,0,0]=4 298 B7R1.3 NC1=CC=NC=C1 HY-B0604 [2,0,0,0,0,0|2,0,0]=4 299 B7R1.3 OC1=CC=NC=C1 AC510896 [2,0,0,0,0,0|1,0,0]=3 300 B7R1.3 OC1=NC=CC=C1 AC500203 [2,0,0,0,0,0|1,0,0]=3 301 B7R1.3 [O-][N+]1=CC=CC=C1 AC130307 [2,0,0,0,0,0|1,0,1]=4 302 B9R1.1 BC1=CC=C(OC)C=C1 AC090165 [1,1,0,0,0,0|1,0,0]=3 303 B9R1.1 BrC1=CC=C(C=C)C=C1 AC500252 [1,1,0,0,0,0|0,0,2]=4 304 B9R1.1 BrC1=CC=C(C=C1)C#C AC310107 [1,1,0,0,0,0|0,0,2]=4 305 B9R1.1 BrC1=CC=C(C=C1)C#N AC500050 [1,1,0,0,0,0|1,0,1]=4 306 B9R1.1 BrC1=CC=C(C=O)C=C1 AC130129 [1,1,0,0,0,0|0,0,2]=4 307 B9R1.1 BrCC1=CC=C(Br)C=C1 AC511101 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.1 BrCC1=CC=C(I)C=C1 AC511536 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.1 C#CC1=CC=C(C=C1)N LN00337947 [1,1,0,0,0,0|0,0,2]=4 310 B9R1.1 C1=C(C=CC(=C1)Cl)CN LN00007551 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.1 C1=C(C=CC(=C1)I)CN LN00181807 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.1 C1=C(C=CC(=C1)I)CO LN00140802 [1,1,0,0,0,0|0,0,0]=2 313 B9R1.1 CC1=CC=C(C=C1)C#C AC310130 [1,1,0,0,0,0|0,0,2]=4 314 B9R1.1 CC1=CC=C(C=O)C=C1 AC131766 [1,1,0,0,0,0|0,0,2]=4 315 B9R1.1 CC1=CC=C(CO)C=N1 AC100103 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.1 CC1=CC=C(NN)C=C1 AC510908 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.1 CC1=NC=C(CBr)C=C1 AC190124 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.1 CC1=NC=C(CO)C=N1 AC512082 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.1 COC1=CC=C(Br)C=N1 AC130157 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.1 COC1=CC=C(I)C=C1 AC190049 [1,1,0,0,0,0|1,0,0]=3 321 B9R1.1 COC1=CC=C(I)C=N1 AC070095 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.1 COC1=CC=C(N)N=C1 AC182126 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.1 COC1=CC=C(S)C=C1 AC130236 [1,1,0,0,0,0|1,0,0]=3 325 B9R1.1 COC1=CN=C(Cl)C=C1 AC511217 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.1 COC1=CNC(=N)C=C1 LN00175109 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.1 COC1=NC=C(Br)C=C1 AC130150 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.1 COC1=NC=C(C)C=C1 AC182341 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.1 COC1=NC=C(Cl)C=C1 AC070111 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.1 COC1=NC=C(N)C=C1 AC180146 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.1 COC1=NC=C(O)C=C1 AC511210 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.1 CSC1=CN=C(N)C=C1 AC100050 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.1 ClC1=CC=C(C=C1)C#C AC310131 [1,1,0,0,0,0|0,0,2]=4 335 B9R1.1 ClC1=CC=C(C=C1)C#N AC510885 [1,1,0,0,0,0|1,0,1]=4 336 B9R1.1 ClCC1=CC=C(Br)C=C1 AC511747 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.1 FC1=CC=C(C=C1)C#C AC310126 [1,1,0,0,0,0|0,0,2]=4 338 B9R1.1 FC1=CC=C(C=C1)C#N AC180025 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.1 FC1=CC=C(C=O)C=C1 AC131767 [1,1,0,0,0,0|0,0,2]=4 340 B9R1.1 IC1=CC=C(C=C1)C#N AC500297 [1,1,0,0,0,0|1,0,1]=4 341 B9R1.1 IC1=CC=C(C=O)C=C1 AC180421 [1,1,0,0,0,0|0,0,2]=4 342 B9R1.1 NC1=CC=C(C=C1)C#C AC310136 [1,1,0,0,0,0|0,0,2]=4 343 B9R1.1 NC1=CC=C(C=C1)C#N AC190216 [1,1,0,0,0,0|1,0,1]=4 344 B9R1.1 NC1=CC=C(CO)C=C1 AC510886 [1,1,0,0,0,0|0,0,0]=2 345 B9R1.1 NCC1=CC=C(Br)C=C1 AC500062 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.1 NCC1=CC=C(Cl)C=C1 AC510625 [1,1,0,0,0,0|1,0,0]=3 347 B9R1.1 NCC1=CC=C(O)C=C1 AC190229 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.1 NCC1=CN=C(Cl)C=C1 AC511011 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.1 NCC1=CNC(=O)C=C1 AC182250 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.1 NCC1=NC=C(Br)C=C1 AC181948 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.1 NNC1=CC=C(Br)C=C1 AC131225 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.1 OC1=CC=C(C=C1)C#N AC190204 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.1 OC1=CC=C(C=O)C=C1 AC130039 [1,1,0,0,0,0|0,0,2]=4 354 B9R1.1 OCC1=CC=C(Br)C=C1 AC190199 [1,1,0,0,0,0|0,0,0]=2 355 B9R1.1 OCC1=CC=C(Cl)C=C1 AC190200 [1,1,0,0,0,0|0,0,0]=2 356 B9R1.1 OCC1=CC=C(Cl)N=C1 AC181178 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.1 OCC1=CC=C(I)C=C1 AC511569 [1,1,0,0,0,0|0,0,0]=2 358 B9R1.1 OCC1=NC=C(Br)C=C1 AC181754 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.1 OCC1=NC=C(Cl)N=C1 AC182624 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.1 OCC1=NC=C(O)C=C1 AC512020 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.1 SC1=CC=C(C=C1)C#N AC050521 [1,1,0,0,0,0|1,0,1]=4 362 B9R1.2 BrC1=CC(=CC=C1)C#N AC190054 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.2 BrC1=CC=CC(C=O)=C1 AC500300 [1,1,0,0,0,0|0,0,2]=4 364 B9R1.2 BrCC1=CC(Br)=CC=C1 AC510964 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.2 BrCC1=CC=CC(I)=C1 AC510794 [1,1,0,0,0,0|1,0,0]=3 366 B9R1.2 C1=C(C=C(Cl)N=C1)CO LN00005270 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.2 C1=CC(=NC(=C1)Br)CO LN00009570 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.2 C1=CN=C(C=C1Br)CN LN00173736 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.2 CC1=CC(CN)=CC=C1 AC500121 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.2 CC1=CC=CC(=N1)OC LN00002432 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.2 CC1=CC=CC(CN)=N1 AC190009 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.2 CC1=NC(=CC=C1)CO LN00224223 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.2 CCC1=CC(N)=NC=C1 AC310156 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.2 CCC1=NC=CC(=C1)Br LN02122573 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.2 CCC1=NC=NC(Cl)=C1 AC511297 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.2 CNC1=CC(Br)=CC=C1 AC020132 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.2 COC1=CC(=O)NC=C1 AC182483 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.2 COC1=CC(Br)=CN=C1 AC510801 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.2 COC1=CC(Br)=NC=C1 AC181956 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.2 COC1=CC(C)=NC=C1 AC511978 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.2 COC1=CC(N)=NC=C1 AC182137 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.2 COC1=CC=CC(Br)=N1 AC180668 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.2 COC1=CC=CC(C)=N1 AC181782 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.2 COC1=CC=CC(N)=C1 AC130321 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.2 COC1=CC=CC(N)=N1 AC181869 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.2 COC1=CC=CC(O)=C1 AC130088 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.2 COC1=CC=NC(Cl)=C1 AC130676 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.2 COC1=CN=CC(N)=C1 AC182431 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.2 COC1=NC(Cl)=CC=C1 AC180147 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.2 COC1=NC(F)=CC=C1 AC070088 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.2 COC1=NC=CC(Br)=C1 AC182264 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.2 COC1=NC=CC(Cl)=C1 AC512031 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.2 COC1=NC=CC(N)=C1 AC182029 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.2 CSC1=CC(N)=CC=C1 AC500237 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.2 ClC1=CC(=CC=C1)C#C AC190257 [1,1,0,0,0,0|0,0,2]=4 396 B9R1.2 ClC1=CC(=CC=C1)C#N AC511790 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.2 ClC1=CC(C=O)=CC=C1 AC511323 [1,1,0,0,0,0|0,0,2]=4 398 B9R1.2 ClC1=CC(CBr)=CC=C1 AC180010 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.2 ClCC1=CC(Cl)=NC=C1 AC182544 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.2 FC1=CC(=CC=C1)C#C AC510708 [1,1,0,0,0,0|0,0,2]=4 401 B9R1.2 FC1=CC(C=O)=CC=C1 AC511704 [1,1,0,0,0,0|0,0,2]=4 402 B9R1.2 FC1=CC=CC(CBr)=C1 AC510779 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.2 FC1=CC=CC(CCl)=C1 AC180011 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.2 IC1=CC(C=O)=CC=C1 AC511778 [1,1,0,0,0,0|0,0,2]=4 405 B9R1.2 NC1=CC(=CC=C1)C#C AC500091 [1,1,0,0,0,0|0,0,2]=4 406 B9R1.2 NC1=CC=CC(CO)=N1 AC190007 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.2 NC1=NC=CC(CO)=C1 AC181723 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.2 NCC1=CC(Cl)=CC=C1 AC510764 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.2 NCC1=CC=CC(Br)=C1 AC181165 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.2 NCC1=CC=CC(I)=C1 AC180290 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.2 NNC1=CC(Br)=CC=C1 AC511632 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.2 NNC1=CC=CC(F)=C1 AC500291 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.2 OC1=CC(=CC=C1)C#N AC190275 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.2 OC1=CC=CC(C=O)=C1 AC130074 [1,1,0,0,0,0|0,0,2]=4 415 B9R1.2 OCC1=CC(Br)=CN=C1 AC500329 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.2 OCC1=CC(Br)=NC=C1 AC070124 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.2 OCC1=CC(Cl)=NC=C1 AC182075 [1,1,0,0,0,0|1,0,0]=3 418 B9R1.2 OCC1=CC=CC(Br)=C1 AC511533 [1,1,0,0,0,0|0,0,0]=2 419 B9R1.2 OCC1=CC=CC(Br)=N1 AC181774 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182154 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182330 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.2 OCC1=NC=CC(Cl)=C1 AC182138 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.8 BrC#CC1=CC=CC=C1 AC511272 [1,1,0,0,0,0|0,0,2]=4 424 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.8 CNCC1=CC=CC=C1 AC500163 [1,1,0,0,0,0|0,0,0]=2 426 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.8 NCCC1=CC=CN=C1 AC500060 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.8 NNCC1=CC=CC=C1 AC500254 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.8 OCCC1=CC=NC=C1 AC511725 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.8 OCCC1=NC=CN=C1 AC051081 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.8 ONCC1=CC=CC=C1 AC180467 [1,1,0,0,0,0|0,0,0]=2 432 B9R1.15 BrC1=C(C=O)C=CC=C1 AC190053 [1,1,0,0,0,0|0,0,2]=4 433 B9R1.15 BrC1=CC=CC=C1C#N AC500253 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.15 BrCC1=C(Br)C=CC=C1 AC500309 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.15 BrCC1=C(I)C=CC=C1 AC510755 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.15 C1=CC=C(C(=C1)CO)Br LN00009848 [1,1,0,0,0,0|0,0,0]=2 437 B9R1.15 CC1=CC=CC=C1C=O AC511038 [1,1,0,0,0,0|0,0,2]=4 438 B9R1.15 CC1=CC=CC=C1CN AC190306 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.15 CC1=NC=CC=C1CO LN00004952 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.15 CCC1=CC=CC=C1Br AC500247 [1,1,0,0,0,0|0,0,0]=2 441 B9R1.15 CCC1=NC=CC=C1O LN00004884 [1,1,0,0,0,0|1,0,0]=3 442 B9R1.15 CNC1=C(O)C=CC=C1 AC512071 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.15 CNC1=CC=CC=C1N AC511708 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.15 CNC1=CC=CC=C1N LN01309502 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.15 COC1=C(Br)C=CC=C1 AC510848 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.15 COC1=C(Br)C=NC=C1 AC210036 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.15 COC1=C(I)C=CC=C1 AC510814 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.15 COC1=C(N)C=NC=C1 AC030137 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.15 COC1=CC=CC=C1O AC190186 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.15 COC1=CC=CN=C1Br AC500269 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.15 COC1=CC=CN=C1Cl AC181653 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.15 COC1=CC=CN=C1N AC511905 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.15 COC1=CC=NC=C1Cl LN01322749 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.15 COC1=NC=CC=C1Br AC181597 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.15 COC1=NC=CC=C1Cl AC181590 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.15 COC1=NC=CC=C1I AC181562 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.15 ClC1=C(C=CC=C1)C#C AC180982 [1,1,0,0,0,0|0,0,2]=4 458 B9R1.15 ClC1=CC=CC=C1C=O AC190062 [1,1,0,0,0,0|0,0,2]=4 459 B9R1.15 ClC1=CC=CC=C1CBr AC180009 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.15 FC1=C(C=CC=C1)C#N AC511685 [1,1,0,0,0,0|1,0,1]=4 461 B9R1.15 FC1=C(CBr)C=CC=C1 AC510775 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.15 FC1=CC=CC=C1C=O AC510338 [1,1,0,0,0,0|0,0,2]=4 463 B9R1.15 NC1=C(C=O)C=CC=C1 AC510813 [1,1,0,0,0,0|0,0,2]=4 464 B9R1.15 NC1=C(CO)C=CC=N1 AC181888 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.15 NC1=CC=CC=C1CO AC511831 [1,1,0,0,0,0|0,0,0]=2 466 B9R1.15 NCC1=C(Br)C=CC=C1 AC500061 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.15 NCC1=C(F)C=CC=C1 AC190246 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.15 NCC1=CC=CC=C1O AC181137 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.15 NNC1=CC=CC=C1Cl AC180294 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.15 OC1=C(C=CC=C1)C#N AC511758 [1,1,0,0,0,0|1,0,1]=4 471 B9R1.15 OC1=C(C=O)C=CC=C1 AC190207 [1,1,0,0,0,0|0,0,2]=4 472 B9R1.15 OCC1=C(Br)C=NC=C1 AC182666 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.15 OCC1=C(F)C=NC=C1 AC160575 [1,1,0,0,0,0|1,0,0]=3 474 B9R1.15 OCC1=CC=CC=C1Br AC230033 [1,1,0,0,0,0|0,0,0]=2 475 B9R1.15 OCC1=CC=CC=C1I AC511037 [1,1,0,0,0,0|0,0,0]=2 476 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [1,1,0,0,0,0|0,0,0]=2 477 B9R1.15 OCC1=CC=CN=C1Cl AC181378 [1,1,0,0,0,0|1,0,0]=3 478 B9R1.15 OCC1=CC=CN=C1F AC181533 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.20 CC(=NC1=CC=C(C=C1)I)O LN01092551 [0,1,0,0,0,1|0,0,1]=3 480 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 AC180006 [0,1,0,0,0,1|0,0,2]=4 481 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 AC190309 [0,1,0,0,0,1|0,0,2]=4 482 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HY-66005 [0,1,0,0,0,1|0,0,2]=4 483 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 AC021568 [0,1,0,0,0,1|0,0,2]=4 484 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 AC020469 [0,1,0,0,0,1|0,0,2]=4 485 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HY-B1098 [0,1,0,0,0,1|1,0,0]=3 486 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AC180404 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 AC511748 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.20 FC(F)OC1=CC=C(I)C=C1 AC190296 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.20 NC1=CC=C(CC(O)=O)C=C1 AC500183 [0,1,0,0,0,1|1,0,1]=4 490 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AC130091 [0,1,0,0,0,1|1,0,1]=4 491 B11R1.20 OC(=O)CC1=CC=C(F)C=C1 AC180075 [0,1,0,0,0,1|1,0,1]=4 492 B11R1.20 OC(=O)CC1=CC=C(I)C=C1 AC180656 [0,1,0,0,0,1|1,0,1]=4 493 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AC130027 [0,1,0,0,0,1|1,0,1]=4 494 B11R1.20 OC(=O)CC1=CC=C(S)C=C1 AC130028 [0,1,0,0,0,1|1,0,1]=4 495 B11R1.36 C1=CC=C(C=C1)[C@H](C(=N)O)N LN00176320 [0,1,0,0,0,1|1,0,1]=4 496 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 AC510790 [0,1,0,0,0,1|1,0,1]=4 497 B11R1.36 C[C@@H](C(O)=O)C1=CC=CC=C1 AC190251 [0,1,0,0,0,1|1,0,1]=4 498 B11R1.36 C[C@H](C(O)=O)C1=CC=CC=C1 AC180569 [0,1,0,0,0,1|1,0,1]=4 499 B11R1.36 OC(=O)C(=C)C1=CC=CC=C1 AC021026 [0,1,0,0,0,1|1,0,1]=4 500 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 AC180081 [0,1,0,0,0,1|1,0,1]=4 501 B11R1.40 BrCC(=O)NC1=CC=CC=C1 AC050571 [0,1,0,0,0,1|0,0,2]=4 502 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N LN00008763 [0,1,0,0,0,1|1,0,0]=3 503 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,1,0,0,0,1|0,0,2]=4 504 B11R1.40 NC(CO)CC1=CC=CC=C1 AC512047 [0,1,0,0,0,1|1,0,0]=3 505 B11R1.40 NCC(O)CC1=CC=CC=C1 AC050560 [0,1,0,0,0,1|0,0,0]=2 506 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC180085 [0,1,0,0,0,1|1,0,0]=3 507 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br LN00124676 [0,1,0,0,0,1|1,0,1]=4 508 B11R1.86 CC(=NC1=CC=CC=C1N)O LN00141995 [0,1,0,0,0,1|0,0,1]=3 509 B11R1.86 CC(=O)CC1=CC=CC=C1Br AC511603 [0,1,0,0,0,1|0,0,2]=4 510 B11R1.86 CC(C)OC1=CC=CC=C1N AC180979 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.86 NC1=CC=CC=C1OC(F)F AC030138 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.86 OC(=O)CC1=C(I)C=CC=C1 AC510681 [0,1,0,0,0,1|1,0,1]=4 513 B11R1.86 OC(=O)CC1=C(O)C=CC=C1 AC130768 [0,1,0,0,0,1|1,0,1]=4 514 B11R1.157 CC(=NC1=CC=CC(=N)N1)O LN00337588 [0,1,0,0,0,1|1,0,1]=4 515 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 AC020586 [0,1,0,0,0,1|0,0,2]=4 516 B11R1.157 CC(=O)OC1=CC=CC(C)=C1 HY-B0948 [0,1,0,0,0,1|0,0,2]=4 517 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 HY-B0894 [0,1,0,0,0,1|0,0,2]=4 518 B11R1.157 CC(C)OC1=CC(Br)=CC=C1 AC021391 [0,1,0,0,0,1|1,0,0]=3 519 B11R1.157 FC(F)OC1=CC(Br)=CC=C1 AC511630 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.157 OC(=O)CC1=CC(O)=CC=C1 AC130034 [0,1,0,0,0,1|1,0,1]=4 521 B11R1.157 OC(=O)CC1=CC=CC(Br)=C1 AC511114 [0,1,0,0,0,1|1,0,1]=4 522 B11R1.157 OC(=O)CC1=CC=CC(Cl)=C1 AC500241 [0,1,0,0,0,1|1,0,1]=4 523 B11R1.157 OC(=O)CC1=CC=CC(F)=C1 AC511141 [0,1,0,0,0,1|1,0,1]=4 524 B11R1.157 OC(=O)CC1=CC=CC(I)=C1 AC511575 [0,1,0,0,0,1|1,0,1]=4 525 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AC130139 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O LN00115884 [0,2,0,0,0,0|1,0,1]=4 527 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N AC180027 [0,2,0,0,0,0|0,0,2]=4 528 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 AC511182 [0,2,0,0,0,0|0,0,2]=4 529 B11R1.3 CC(C)C1=CC=C(NN)C=C1 AC050609 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.3 COC1=CC=C(C=C1)B(O)O AC180419 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.3 CSC1=CC=C(C=C1)B(O)O AC090245 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.3 NCC1=CC=C(C=C1)C(O)=O HY-B1258 [0,2,0,0,0,0|1,0,1]=4 533 B11R1.3 OB(O)C1=CC=C(C=C)C=C1 AC310132 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.3 OB(O)C1=CC=C(C=C1)C#N AC020052 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.3 OB(O)C1=CC=C(C=O)C=C1 AC500008 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 AC090194 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.3 OC(=O)C1=CC=C(C=C)C=C1 AC510627 [0,2,0,0,0,0|1,0,1]=4 538 B11R1.3 OC(=O)C1=CC=C(C=C1)C#C AC500166 [0,2,0,0,0,0|1,0,1]=4 539 B11R1.3 OC(=O)C1=CC=C(C=O)C=C1 AC510882 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.3 OCC1=CC=C(C=C1)B(O)O AC090183 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.3 OCC1=CC=C(C=C1)C(O)=O AC511649 [0,2,0,0,0,0|1,0,1]=4 542 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 AC190213 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O LN00194072 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC021526 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC050314 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC051052 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AC130238 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 AC130923 [0,2,0,0,0,0|1,0,1]=4 549 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 AC180425 [0,2,0,0,0,0|1,0,1]=4 550 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC190146 [0,2,0,0,0,0|1,0,1]=4 551 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 AC100061 [0,2,0,0,0,0|1,1,0]=4 552 B11R1.19 FC(F)(F)C1=CC=C(Br)C=C1 AC130978 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.19 FC(F)(F)C1=CC=C(I)C=C1 AC190189 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F AC180033 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.21 C1=CC(=C(C=C1B(O)O)Cl)Cl LN00118281 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br LN00009079 [0,2,0,0,0,0|1,0,1]=4 557 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O LN01360918 [0,2,0,0,0,0|0,0,2]=4 558 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 AC180895 [0,2,0,0,0,0|0,0,2]=4 559 B11R1.21 CC(=O)C1=CC=C(F)C(Cl)=C1 AC511644 [0,2,0,0,0,0|0,0,2]=4 560 B11R1.21 CC(=O)C1=CC=C(F)C(F)=C1 AC511682 [0,2,0,0,0,0|0,0,2]=4 561 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 AC160576 [0,2,0,0,0,0|0,0,2]=4 562 B11R1.21 CC(C)C1=CC(=C(C)C=C1)N LN00241970 [0,2,0,0,0,0|1,0,0]=3 563 B11R1.21 CC(C)C1=CC(C)=C(O)C=C1 AC060016 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.21 CC1=C(Br)C=CC(=C1)C(O)=O AC180420 [0,2,0,0,0,0|1,0,1]=4 565 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I LN00009376 [0,2,0,0,0,0|1,0,1]=4 566 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)N)Cl LN02164013 [0,2,0,0,0,0|1,0,0]=3 567 B11R1.21 CC1=C(F)C=C(C=C1)C(O)=O AC180041 [0,2,0,0,0,0|1,0,1]=4 568 B11R1.21 CC1=C(F)C=CC(=C1)C(O)=O AC510753 [0,2,0,0,0,0|1,0,1]=4 569 B11R1.21 CC1=CC(=CC=C1F)B(O)O AC090059 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.21 CC1=CC(=CC=C1O)C(O)=O AC180983 [0,2,0,0,0,0|1,0,1]=4 571 B11R1.21 CC1=CC=C(C=C1Br)C(O)=O AC511792 [0,2,0,0,0,0|1,0,1]=4 572 B11R1.21 CC1=CC=C(C=C1C)B(O)O AC090180 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 AC050506 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.21 NC1=C(N)C=C(C=C1)C(O)=O AC200130 [0,2,0,0,0,0|1,0,1]=4 575 B11R1.21 NC1=CC=C(C=C1F)C(O)=O AC511703 [0,2,0,0,0,0|1,0,1]=4 576 B11R1.21 NC1=CC=C(C=C1O)C(O)=O AC180334 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.21 OB(O)C1=CC(Cl)=C(F)C=C1 AC511508 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 AC511884 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 AC070113 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.21 OB(O)C1=CC(F)=C(F)C=C1 AC181124 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.21 OB(O)C1=CC=C(Cl)C(Cl)=C1 AC500215 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.21 OC(=O)C1=CC(Br)=C(F)C=C1 AC511159 [0,2,0,0,0,0|1,0,1]=4 583 B11R1.21 OC(=O)C1=CC(Cl)=C(F)C=C1 AC511282 [0,2,0,0,0,0|1,0,1]=4 584 B11R1.21 OC(=O)C1=CC(F)=C(I)C=C1 AC182155 [0,2,0,0,0,0|1,0,1]=4 585 B11R1.21 OC(=O)C1=CC=C(Br)C(F)=C1 AC181079 [0,2,0,0,0,0|1,0,1]=4 586 B11R1.21 OC(=O)C1=CC=C(Br)C(O)=C1 AC182195 [0,2,0,0,0,0|1,0,1]=4 587 B11R1.21 OC(=O)C1=CC=C(Cl)C(O)=C1 AC511937 [0,2,0,0,0,0|1,0,1]=4 588 B11R1.21 OC(=O)C1=CC=C(I)C(O)=C1 AC131761 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.21 OC(=O)C1=CC=C(O)C(O)=C1 HY-N0294 [0,2,0,0,0,0|1,0,1]=4 590 B11R1.22 C1=C(C=CC(=C1)Br)C(=O)CN LN00146620 [0,2,0,0,0,0|0,0,2]=4 591 B11R1.22 C1=C(C=CC(=C1)Cl)[C@@H](CO)N LN02185263 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.22 C1=C(C=CC(=C1)F)[C@H](CO)N LN01359282 [0,2,0,0,0,0|1,0,0]=3 593 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr AC500028 [0,2,0,0,0,0|0,0,2]=4 594 B11R1.22 CC1=CC=C(C=C1)[C@@H](CO)N LN02185267 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br LN00225179 [0,2,0,0,0,0|0,0,2]=4 596 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AC021180 [0,2,0,0,0,0|0,0,2]=4 597 B11R1.22 COC(=O)C1=CC=C(I)C=C1 AC130758 [0,2,0,0,0,0|0,0,2]=4 598 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AC500030 [0,2,0,0,0,0|0,0,2]=4 599 B11R1.22 COC(=O)C1=CC=C(O)C=C1 AC190171 [0,2,0,0,0,0|0,0,2]=4 600 B11R1.22 FC1=CC=C(C=C1)C(=O)CBr AC510754 [0,2,0,0,0,0|0,0,2]=4 601 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 AC512178 [0,2,0,0,0,0|0,0,2]=4 602 B11R1.22 NCC(O)C1=CC=C(O)C=C1 HY-B0528A [0,2,0,0,0,0|0,0,0]=2 603 B11R1.22 O/N=C(\Cl)C1=CC=C(Br)C=C1 AC050902 [0,2,0,0,0,0|1,0,1]=4 604 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O LN00008566 [0,2,0,0,0,0|1,0,1]=4 605 B11R1.166 C1=CC(=C(C=C1O)Br)C(=O)O LN01038895 [0,2,0,0,0,0|1,0,1]=4 606 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl LN01796470 [0,2,0,0,0,0|0,0,2]=4 607 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 AC220119 [0,2,0,0,0,0|0,0,2]=4 608 B11R1.166 CC(=O)C1=CC=C(Br)C=C1O AC181677 [0,2,0,0,0,0|0,0,2]=4 609 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br AC511164 [0,2,0,0,0,0|0,0,2]=4 610 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl AC500263 [0,2,0,0,0,0|0,0,2]=4 611 B11R1.166 CC(=O)C1=CC=C(N)C=C1O AC511889 [0,2,0,0,0,0|0,0,2]=4 612 B11R1.166 CC(=O)C1=CC=C(O)C=C1F AC021126 [0,2,0,0,0,0|0,0,2]=4 613 B11R1.166 CC(C)C1=CC=C(N)C=C1O AC050674 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.166 CC1=CC(Br)=CC=C1C(O)=O AC250047 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.166 CC1=CC(F)=C(C=C1)C(O)=O AC181531 [0,2,0,0,0,0|1,0,1]=4 616 B11R1.166 CC1=CC(N)=CC=C1C(O)=O AC181976 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.166 CC1=CC(O)=CC=C1B(O)O AC090175 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=C1 AC181625 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.166 CC1=CC=C(B(O)O)C(F)=C1 AC181906 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.166 CC1=CC=C(C(O)=O)C(Br)=C1 AC511793 [0,2,0,0,0,0|1,0,1]=4 621 B11R1.166 CC1=CC=C(C(O)=O)C(N)=C1 AC511862 [0,2,0,0,0,0|1,0,1]=4 622 B11R1.166 C[C@@H](C1=C(C=C(C=C1)Br)F)N LN02010281 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.166 NC1=C(C=CC(Cl)=C1)C(O)=O AC180214 [0,2,0,0,0,0|1,0,1]=4 624 B11R1.166 NC1=CC(Br)=CC=C1C(O)=O AC181692 [0,2,0,0,0,0|1,0,1]=4 625 B11R1.166 NC1=CC(Cl)=C(C=C1)C(O)=O AC511619 [0,2,0,0,0,0|1,0,1]=4 626 B11R1.166 NC1=CC(I)=CC=C1C(O)=O AC182459 [0,2,0,0,0,0|1,0,1]=4 627 B11R1.166 NC1=CC=C(C(O)=O)C(F)=C1 AC511347 [0,2,0,0,0,0|1,0,1]=4 628 B11R1.166 NC1=CC=C(C(O)=O)C(O)=C1 HY-B1048 [0,2,0,0,0,0|1,0,1]=4 629 B11R1.166 OB(O)C1=C(F)C=C(Cl)C=C1 AC181506 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl AC180305 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.166 OB(O)C1=CC=C(F)C=C1Cl AC181507 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.166 OB(O)C1=CC=C(F)C=C1F AC030052 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.166 OC(=O)C1=C(Br)C=C(Cl)C=C1 AC181078 [0,2,0,0,0,0|1,0,1]=4 634 B11R1.166 OC(=O)C1=C(Br)C=C(F)C=C1 AC180537 [0,2,0,0,0,0|1,0,1]=4 635 B11R1.166 OC(=O)C1=C(Cl)C=C(Cl)C=C1 AC510802 [0,2,0,0,0,0|1,0,1]=4 636 B11R1.166 OC(=O)C1=C(Cl)C=C(F)C=C1 AC200135 [0,2,0,0,0,0|1,0,1]=4 637 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=C1 AC511019 [0,2,0,0,0,0|1,0,1]=4 638 B11R1.166 OC(=O)C1=C(F)C=C(Cl)C=C1 AC510774 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.166 OC(=O)C1=C(F)C=C(F)C=C1 AC180271 [0,2,0,0,0,0|1,0,1]=4 640 B11R1.166 OC(=O)C1=C(F)C=C(I)C=C1 AC181546 [0,2,0,0,0,0|1,0,1]=4 641 B11R1.166 OC(=O)C1=C(O)C=C(Br)C=C1 AC500228 [0,2,0,0,0,0|1,0,1]=4 642 B11R1.166 OC(=O)C1=CC=C(Br)C=C1Cl AC180439 [0,2,0,0,0,0|1,0,1]=4 643 B11R1.166 OC(=O)C1=CC=C(Cl)C=C1I AC511491 [0,2,0,0,0,0|1,0,1]=4 644 B11R1.166 OC(=O)C1=CC=C(F)C=C1O AC511669 [0,2,0,0,0,0|1,0,1]=4 645 B11R1.166 OC(=O)C1=CC=C(O)C=C1F AC181201 [0,2,0,0,0,0|1,0,1]=4 646 B11R1.7 BrCS(=O)(=O)C1=CC=CC=C1 AC030196 [0,2,0,0,0,0|1,0,1]=4 647 B11R1.7 CC(C)(C#C)C1=CC=CC=C1 AC020776 [0,2,0,0,0,0|1,0,0]=3 648 B11R1.7 CC(C)(CN)C1=CC=CC=C1 AC050458 [0,2,0,0,0,0|1,0,0]=3 649 B11R1.7 NCC(F)(F)C1=NC=CC=C1 AC020049 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.12 OCC(CO)C1=CC=CC=C1 AC511844 [0,2,0,0,0,0|0,0,0]=2 651 B11R1.16 C1=CC=C(C=C1)[C@@H](CCO)N LN00219910 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.16 ClCOC(=O)C1=CC=CC=C1 AC511140 [0,2,0,0,0,0|0,0,2]=4 653 B11R1.16 NC(CCO)C1=CC=CC=C1 AC181123 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC181203 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.16 O=C(CC#N)C1=CC=CC=C1 AC500022 [0,2,0,0,0,0|0,0,2]=4 656 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 AC180615 [0,2,0,0,0,0|0,0,0]=2 657 B11R1.23 C1=CC(=CC(=C1)Br)[C@@H](CO)N LN02151667 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr LN00145927 [0,2,0,0,0,0|0,0,2]=4 659 B11R1.23 COC(=O)C1=CC=CC(I)=C1 AC130759 [0,2,0,0,0,0|0,0,2]=4 660 B11R1.23 COC(=O)C1=CC=CC(O)=C1 AC021635 [0,2,0,0,0,0|0,0,2]=4 661 B11R1.23 ClC1=CC(=CC=C1)C(=O)CBr AC181101 [0,2,0,0,0,0|0,0,2]=4 662 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 AC021444 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 AC020507 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AC020501 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.222 C1=CC=C(C(=C1)[C@@H](CO)N)Cl LN02026918 [0,2,0,0,0,0|1,0,0]=3 666 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 AC060049 [0,2,0,0,0,0|0,0,2]=4 667 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 AC030031 [0,2,0,0,0,0|0,0,2]=4 668 B11R1.222 COC(=O)C1=C(I)C=CC=C1 AC130757 [0,2,0,0,0,0|0,0,2]=4 669 B11R1.222 FC1=CC=CC=C1C(=O)CBr AC190234 [0,2,0,0,0,0|0,0,2]=4 670 B11R1.87 CC(C)(C)C1=C(N)C=CC=C1 AC180736 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.87 CC1=CC=CC=C1C(F)(F)F AC180790 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.87 CC1=CC=CC=C1S(O)(=O)=O AC180434 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.87 CP(C)(=O)C1=CC=CC=C1N AC511962 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.87 FC(F)(F)C1=CC=CC=C1I AC190161 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.87 NC1=C(C=CC=C1)C(F)(F)F AC190266 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.155 CC(C)(C)C1=CC(N)=CC=C1 AC180712 [0,2,0,0,0,0|1,0,0]=3 677 B11R1.155 CC(C)(C)C1=NC=CC(Br)=C1 AC050229 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.155 CC(C)(C)C1=NC=CC(N)=C1 AC050952 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 AC270007 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.155 FC(F)(F)C1=CC(I)=CC=C1 AC190052 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.155 NC1=CC=CC(=C1)C(F)(F)F AC190224 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.53 C=CC1=CC=CC=C1B(O)O LN00227200 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.53 CC(=O)C1=CC=CC=C1C#N AC511890 [0,2,0,0,0,0|0,0,2]=4 684 B11R1.53 CCC1=CC=CC=C1C(O)=O AC220178 [0,2,0,0,0,0|1,0,1]=4 685 B11R1.53 COC1=C(C=CC=C1)B(O)O AC180960 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.53 CSC1=C(C=CC=C1)B(O)O AC090083 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.53 FC(F)C1=CC=CC=C1C=O AC010378 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.53 OB(O)C1=C(C=O)C=CC=C1 AC500080 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.53 OB(O)C1=CC=CC=C1C#N AC070097 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.53 OB(O)C1=CC=CC=C1CBr AC090241 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.53 OC(=O)C1=C(C=O)C=CC=C1 AC180060 [0,2,0,0,0,0|1,0,1]=4 692 B11R1.53 OCC1=C(C=CC=C1)C(F)F AC010383 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.53 OCC1=CC=CC=C1B(O)O AC090231 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)Br LN01103640 [0,2,0,0,0,0|1,0,1]=4 695 B11R1.156 CC(=O)C1=C(F)C=CC=C1F AC180004 [0,2,0,0,0,0|0,0,2]=4 696 B11R1.156 CC(O)C1=C(Cl)C=NC=C1Cl AC040048 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.156 CC1=C(C(=CC=C1)C)B(O)O LN00140465 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O LN00180777 [0,2,0,0,0,0|1,0,1]=4 699 B11R1.156 CC1=C(C(O)=O)C(Br)=CC=C1 AC510997 [0,2,0,0,0,0|1,0,1]=4 700 B11R1.156 CC1=C(C(O)=O)C(Cl)=CC=C1 AC180479 [0,2,0,0,0,0|1,0,1]=4 701 B11R1.156 CC1=CC=CC(C)=C1B(O)O AC181162 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.156 CC1=CC=CC(N)=C1C(O)=O AC180216 [0,2,0,0,0,0|1,0,1]=4 703 B11R1.156 CC1=CC=CC(O)=C1C(O)=O AC181197 [0,2,0,0,0,0|1,0,1]=4 704 B11R1.156 C[C@@H](O)C1=C(Cl)C=NC=C1Cl AC020778 [0,2,0,0,0,0|1,0,0]=3 705 B11R1.156 C[C@H](O)C1=C(Cl)C=NC=C1Cl AC040046 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.156 NC1=C(C(O)=O)C(Cl)=CC=C1 AC180503 [0,2,0,0,0,0|1,0,1]=4 707 B11R1.156 NC1=CC=CC(Br)=C1C(O)=O AC181693 [0,2,0,0,0,0|1,0,1]=4 708 B11R1.156 NC1=CC=CC(F)=C1C(O)=O AC130111 [0,2,0,0,0,0|1,0,1]=4 709 B11R1.156 OB(O)C1=C(Cl)C=CC=C1Cl AC090198 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.156 OC(=O)C1=C(F)C=CC=C1Br AC181254 [0,2,0,0,0,0|1,0,1]=4 711 B11R1.156 OC(=O)C1=C(F)C=CC=C1F AC020998 [0,2,0,0,0,0|1,0,1]=4 712 B11R1.156 OC(=O)C1=C(O)C=CC=C1F AC511776 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.159 C1=CC(=C(C(=C1)Cl)Br)C(=O)O LN00204324 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.159 C1=CC(=C(C(=C1)F)Br)C(=O)O LN01316525 [0,2,0,0,0,0|1,0,1]=4 715 B11R1.159 C1=CC(=C(C(=C1)F)F)B(O)O LN00117880 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 AC182239 [0,2,0,0,0,0|0,0,2]=4 717 B11R1.159 CC1=C(Br)C=CC=C1C(O)=O AC130042 [0,2,0,0,0,0|1,0,1]=4 718 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)I LN00116621 [0,2,0,0,0,0|1,0,1]=4 719 B11R1.159 CC1=C(C=CC=C1Cl)C(O)=O AC180528 [0,2,0,0,0,0|1,0,1]=4 720 B11R1.159 CC1=C(C=CC=C1F)C(O)=O AC510933 [0,2,0,0,0,0|1,0,1]=4 721 B11R1.159 CC1=C(Cl)C=CC=C1B(O)O AC090131 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.159 CC1=C(I)C(=CC=C1)C(O)=O AC510630 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.159 CC1=C(O)C(=CC=C1)C(O)=O HY-B1399 [0,2,0,0,0,0|1,0,1]=4 724 B11R1.159 CC1=CC=CC(C(O)=O)=C1Br AC510821 [0,2,0,0,0,0|1,0,1]=4 725 B11R1.159 CC1=CC=CC(C(O)=O)=C1C AC021104 [0,2,0,0,0,0|1,0,1]=4 726 B11R1.159 CC1=CC=CC(C(O)=O)=C1N AC511696 [0,2,0,0,0,0|1,0,1]=4 727 B11R1.159 NC1=C(Br)C=CC=C1C(O)=O AC181691 [0,2,0,0,0,0|1,0,1]=4 728 B11R1.159 NC1=C(C=CC=C1Cl)C(O)=O AC180742 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.159 NC1=C(F)C=CC=C1C(O)=O AC181251 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.159 NC1=C(O)C=CC=C1C(O)=O AC130201 [0,2,0,0,0,0|1,0,1]=4 731 B11R1.159 OB(O)C1=C(Cl)C(Cl)=CC=C1 AC181183 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.159 OB(O)C1=C(F)C(O)=CC=C1 AC090010 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.159 OB(O)C1=CC=CC(F)=C1Cl AC511813 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.159 OC(=O)C1=C(Br)C(F)=CC=C1 AC130173 [0,2,0,0,0,0|1,0,1]=4 735 B11R1.159 OC(=O)C1=CC=CC(Br)=C1O AC511188 [0,2,0,0,0,0|1,0,1]=4 736 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br LN00008719 [0,2,0,0,0,0|1,0,1]=4 737 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl LN00007888 [0,2,0,0,0,0|1,0,1]=4 738 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 AC180460 [0,2,0,0,0,0|0,0,2]=4 739 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 AC130204 [0,2,0,0,0,0|0,0,2]=4 740 B11R1.167 CC(=O)C1=CC(Br)=CC=C1F AC182638 [0,2,0,0,0,0|0,0,2]=4 741 B11R1.167 CC(=O)C1=CC(Br)=CC=C1N AC511145 [0,2,0,0,0,0|0,0,2]=4 742 B11R1.167 CC(=O)C1=CC(Br)=CC=C1O AC510656 [0,2,0,0,0,0|0,0,2]=4 743 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Cl AC020882 [0,2,0,0,0,0|0,0,2]=4 744 B11R1.167 CC(=O)C1=CC(F)=CC=C1O AC510745 [0,2,0,0,0,0|0,0,2]=4 745 B11R1.167 CC1=C(C=C(I)C=C1)C(O)=O AC181258 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.167 CC1=C(C=C(N)C=C1)C(O)=O AC181945 [0,2,0,0,0,0|1,0,1]=4 747 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O LN00117409 [0,2,0,0,0,0|1,0,1]=4 748 B11R1.167 CC1=CC(=C(C=C1)O)B(O)O LN02136315 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.167 CC1=CC(B(O)O)=C(O)C=C1 AC100052 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.167 CC1=CC=C(Br)C=C1C(O)=O AC511799 [0,2,0,0,0,0|1,0,1]=4 751 B11R1.167 CC1=CC=C(C)C(=C1)B(O)O AC190064 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.167 CC1=CC=C(Cl)C(=C1)C(O)=O AC511767 [0,2,0,0,0,0|1,0,1]=4 753 B11R1.167 CC1=CC=C(Cl)C=C1B(O)O AC090069 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.167 CC1=CC=C(N)C(=C1)C(O)=O AC180220 [0,2,0,0,0,0|1,0,1]=4 755 B11R1.167 NC1=C(C=C(Br)C=C1)C(O)=O AC510850 [0,2,0,0,0,0|1,0,1]=4 756 B11R1.167 NC1=C(C=C(F)C=C1)C(O)=O AC512093 [0,2,0,0,0,0|1,0,1]=4 757 B11R1.167 NC1=C(C=C(I)C=C1)C(O)=O AC180218 [0,2,0,0,0,0|1,0,1]=4 758 B11R1.167 NC1=C(C=C(O)C=C1)C(O)=O AC180219 [0,2,0,0,0,0|1,0,1]=4 759 B11R1.167 NC1=CC(C(O)=O)=C(O)C=C1 HY-15027 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.167 OB(O)C1=CC(Cl)=CC=C1Cl AC090054 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.167 OB(O)C1=CC(Cl)=CC=C1F AC181905 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.167 OC(=O)C1=C(Br)C=CC(O)=C1 AC512094 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.167 OC(=O)C1=C(Cl)C=CC(F)=C1 AC180797 [0,2,0,0,0,0|1,0,1]=4 764 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 AC130216 [0,2,0,0,0,0|1,0,1]=4 765 B11R1.167 OC(=O)C1=CC(Br)=CC=C1Br AC180318 [0,2,0,0,0,0|1,0,1]=4 766 B11R1.167 OC(=O)C1=CC(Br)=CC=C1Cl AC511599 [0,2,0,0,0,0|1,0,1]=4 767 B11R1.167 OC(=O)C1=CC(Br)=CC=C1I AC180644 [0,2,0,0,0,0|1,0,1]=4 768 B11R1.167 OC(=O)C1=CC(Cl)=CC=C1F AC181071 [0,2,0,0,0,0|1,0,1]=4 769 B11R1.167 OC(=O)C1=CC(Cl)=CC=C1O AC500101 [0,2,0,0,0,0|1,0,1]=4 770 B11R1.167 OC(=O)C1=CC(I)=CC=C1Br AC180643 [0,2,0,0,0,0|1,0,1]=4 771 B11R1.167 OC(=O)C1=CC(I)=CC=C1Cl AC180645 [0,2,0,0,0,0|1,0,1]=4 772 B11R1.167 OC(=O)C1=CC(I)=CC=C1F AC500186 [0,2,0,0,0,0|1,0,1]=4 773 B11R1.74 C1=C(C=C(C=C1Cl)Cl)B(O)O LN00116565 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)O LN00116557 [0,2,0,0,0,0|1,0,1]=4 775 B11R1.74 CC(=O)C1=CC(=CC(=C1)F)F LN00117061 [0,2,0,0,0,0|0,0,2]=4 776 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 AC180640 [0,2,0,0,0,0|0,0,2]=4 777 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 AC310106 [0,2,0,0,0,0|0,0,2]=4 778 B11R1.74 CC(N)C1=CC(Cl)=CC(Cl)=C1 AC050671 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.74 CC1=CC(=CC(C)=C1)B(O)O AC090089 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.74 CC1=CC(Br)=CC(=C1)B(O)O AC090215 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.74 CC1=CC(Cl)=CC(=C1)C(O)=O AC182586 [0,2,0,0,0,0|1,0,1]=4 782 B11R1.74 CC1=CC(F)=CC(=C1)C(O)=O AC181548 [0,2,0,0,0,0|1,0,1]=4 783 B11R1.74 C[C@@H](N)C1=CC(Cl)=CC(Cl)=C1 AC050598 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.74 C[C@H](N)C1=CC(Cl)=CC(Cl)=C1 AC050670 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.74 NC1=CC(=CC(O)=C1)C(O)=O AC180469 [0,2,0,0,0,0|1,0,1]=4 786 B11R1.74 NC1=CC(Br)=CC(=C1)C(O)=O AC180910 [0,2,0,0,0,0|1,0,1]=4 787 B11R1.74 OB(O)C1=CC(Br)=CC(Br)=C1 AC090043 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.74 OB(O)C1=CC(Cl)=CC(Cl)=C1 AC180511 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.74 OB(O)C1=CC(F)=CC(Cl)=C1 AC182065 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.74 OB(O)C1=CC(F)=CC(F)=C1 AC130099 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.74 OB(O)C1=CC(O)=CC(F)=C1 AC090230 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.74 OC(=O)C1=CC(Br)=CC(Cl)=C1 AC511869 [0,2,0,0,0,0|1,0,1]=4 793 B11R1.74 OC(=O)C1=CC(Br)=CC(F)=C1 AC181255 [0,2,0,0,0,0|1,0,1]=4 794 B11R1.74 OC(=O)C1=CC(Cl)=CC(Cl)=C1 AC180042 [0,2,0,0,0,0|1,0,1]=4 795 B11R1.74 OC(=O)C1=CC(F)=CC(F)=C1 AC510561 [0,2,0,0,0,0|1,0,1]=4 796 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N LN00180819 [0,2,0,0,0,0|1,0,1]=4 797 B11R1.266 CC(=O)C1=CC(=CC=C1)C#N AC250032 [0,2,0,0,0,0|0,0,2]=4 798 B11R1.266 COC1=CC=CC(=C1)B(O)O AC090036 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.266 COC1=CC=CC(=C1)C(C)N AC020009 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.266 COC1=CC=CC(=C1)C(O)=O AC180043 [0,2,0,0,0,0|1,0,1]=4 801 B11R1.266 CSC1=CC(=CC=C1)B(O)O AC090049 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.266 NCC1=CC(=CC=C1)C(O)=O AC170057 [0,2,0,0,0,0|1,0,1]=4 803 B11R1.266 OB(O)C1=CC(=CC=C1)C#N AC500108 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.266 OB(O)C1=CC(C=O)=CC=C1 AC180811 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.266 OC(=O)C1=CC(=CC=C1)C#N AC180040 [0,2,0,0,0,0|1,0,1]=4 806 B11R1.266 OC(=O)C1=CC(C=O)=CC=C1 AC160494 [0,2,0,0,0,0|1,0,1]=4 807 B11R1.266 OC(=O)C1=CC=CC(CBr)=C1 AC511772 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.266 OCC1=CC=CC(=C1)B(O)O AC500088 [0,2,0,0,0,0|2,0,0]=4 809 B11R2.4 C1=CC=C(C=C1)[C@@H]2C[C@H]2N LN00342917 [0,0,0,1,0,1|1,0,0]=3 810 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [0,0,0,1,0,1|1,0,0]=3 811 B11R2.10 BrC1=CC2=C(C1)C=CC=C2 AC182055 [0,0,0,1,0,1|1,0,1]=4 812 B11R2.10 C1=CC=C2CC(CC2=C1)N LN00008840 [0,0,0,1,0,1|1,0,0]=3 813 B11R2.10 CC1=CC2=C(N1)C=CC=C2 AC511008 [0,0,0,1,0,1|1,0,1]=4 814 B11R2.10 NC1=NC2=CC=CC=C2O1 AC510780 [0,0,0,1,0,1|1,0,1]=4 815 B11R2.10 O=C1CC2=C(N1)C=CC=C2 AC021698 [0,0,0,1,0,1|0,0,2]=4 816 B11R2.10 O=C1CC2=C(O1)C=CC=C2 AC021054 [0,0,0,1,0,1|0,0,2]=4 817 B11R2.10 OC1CC2=C(C1)C=CC=C2 AC511852 [0,0,0,1,0,1|0,0,0]=2 818 B11R2.34 C1CC1C2=CC=C(C=C2)O LN01357127 [0,1,0,1,0,0|1,0,0]=3 819 B11R2.34 FC1=NC=C(C=C1)C2CC2 AC030017 [0,1,0,1,0,0|2,0,0]=4 820 B11R2.34 OC1=NC=C(C=C1)C2CC2 AC030018 [0,1,0,1,0,0|2,0,0]=4 821 B11R2.1 CC1=CNC2=C1C=CC=C2 AC500066 [0,1,0,1,0,0|1,0,1]=4 822 B11R2.1 CN1C=CC2=C1C=CC=C2 AC510426 [0,1,0,1,0,0|2,0,0]=4 823 B11R2.1 NC1CCC2=CC=CC=C12 AC190231 [0,1,0,1,0,0|1,0,0]=3 824 B11R2.1 NC1COC2=NC=CC=C12 AC512024 [0,1,0,1,0,0|2,0,0]=4 825 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [0,1,0,1,0,0|0,0,2]=4 826 B11R2.1 O=C1COC2=C1C=CC=C2 AC130193 [0,1,0,1,0,0|0,0,2]=4 827 B11R2.1 O=C1CSC2=CC=CC=C12 AC182209 [0,1,0,1,0,0|0,0,2]=4 828 B11R2.1 O=C1NCC2=CC=CC=C12 AC511115 [0,1,0,1,0,0|0,0,2]=4 829 B11R2.1 OC1CCC2=CC=CN=C12 AC182162 [0,1,0,1,0,0|1,0,0]=3 830 B11R2.1 ON1N=NC2=C1C=CC=C2 AC131609 [0,1,0,1,0,0|2,0,0]=4 831 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC020065 [0,1,0,1,0,0|1,0,0]=3 832 B11R2.40 NC1(CC1)C2=CC=CC=C2 AC050542 [0,1,0,1,0,0|1,0,0]=3 833 B11R2.55 FC1=NC=CC=C1C2CC2 AC040078 [0,1,0,1,0,0|2,0,0]=4 834 B7R1.1 C1=CC=C([CH-]1)CO LN02135120 [1,0,0,0,1,0|0,0,1]=3 835 B7R1.1 COC1=CC=CS1 AC130135 [1,0,0,0,1,0|2,0,0]=4 836 B7R1.1 COC1=CSC=C1 AC511563 [1,0,0,0,1,0|2,0,0]=4 837 B7R1.1 NCC1=CC=CN1 AC182788 [1,0,0,0,1,0|2,0,0]=4 838 B7R1.1 NCC1=CC=CS1 AC510712 [1,0,0,0,1,0|2,0,0]=4 839 B7R1.1 NCC1=CSC=C1 AC181241 [1,0,0,0,1,0|2,0,0]=4 840 B7R1.1 OCC1=CC=NO1 AC050733 [1,0,0,0,1,0|2,0,0]=4 841 B7R1.1 OCC1=CN=CN1 AC500303 [1,0,0,0,1,0|2,0,0]=4 842 B7R1.1 OCC1=CN=CO1 AC182363 [1,0,0,0,1,0|2,0,0]=4 843 B7R1.1 OCC1=CNN=C1 AC511994 [1,0,0,0,1,0|2,0,0]=4 844 B7R1.1 OCC1=COC=C1 AC510770 [1,0,0,0,1,0|1,0,0]=3 845 B7R1.1 OCC1=CON=C1 AC051093 [1,0,0,0,1,0|2,0,0]=4 846 B7R1.1 OCC1=CSC=C1 AC180309 [1,0,0,0,1,0|1,0,0]=3 847 B7R1.1 OCC1=CSC=N1 AC190085 [1,0,0,0,1,0|2,0,0]=4 848 B7R1.1 OCC1=NOC=C1 AC190021 [1,0,0,0,1,0|2,0,0]=4 849 B11R1.91 C1=CC=C(C=C1)CCC(=N)O LN01357216 [0,0,0,0,0,2|1,0,1]=4 850 B11R1.91 CC(=O)C#CC1=CC=CC=C1 AC270040 [0,0,0,0,0,2|0,0,2]=4 851 B11R1.91 CC(O)COC1=CC=CC=C1 AC130345 [0,0,0,0,0,2|0,0,0]=2 852 B11R1.91 OB(O)CCC1=CC=CC=C1 AC090136 [0,0,0,0,0,2|2,0,0]=4 853 B11R1.91 OC(=O)C#CC1=CC=CC=C1 AC500012 [0,0,0,0,0,2|1,0,1]=4