0 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)C1=CN=CC=N1 AC510694 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 CC(=O)C1=CN=CN=C1 AC050215 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.6 CC(=O)C1=NC=CC=N1 AC182273 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 CC(=O)C1=NC=NC=C1 LN00221164 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [0,0,0,0,0,0|0,0,2]=2 11 B9R1.6 CN(C)C1=CC=NC=C1 AC131272 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [0,0,0,0,0,0|1,0,1]=2 13 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [0,0,0,0,0,0|1,0,2]=3 14 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.6 ClC(=O)C1=CN=CN=C1 AC160433 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 NC(=N)C1=CC=CN=C1 AC180531 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.6 NC(=N)C1=NC=CC=N1 AC021194 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 NC(=S)C1=NC=CC=C1 AC180667 [0,0,0,0,0,0|1,1,0]=2 22 B9R1.6 OB(O)C1=CC=CC=C1 AC130043 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 OC(=O)C1=CC=CN=C1 AC510862 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 OC(=O)C1=CC=CN=C1 HY-B0143 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 OC(=O)C1=CC=NN=C1 AC180268 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 OC(=O)C1=CN=CN=C1 AC020529 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 OC(=O)C1=NC=CC=C1 AC190264 [0,0,0,0,0,0|1,0,0]=1 28 B9R1.6 OC(=O)C1=NC=CC=N1 AC181135 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 OC(=O)C1=NC=CN=C1 AC021096 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.6 OC(=O)C1=NC=NC=C1 AC180734 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 OC(=O)C1=NN=CC=C1 AC511154 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 [O-]C(=O)C1=NC=CN=N1 AC050612 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.2 BrCC1=NC=CC=C1 AC190262 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.2 C#CC1=CC=CC=N1 AC180444 [1,0,0,0,0,0|0,0,2]=3 35 B8R1.2 CNC1=CN=CC=N1 LN00001826 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 CNC1=NC=CC=C1 AC500327 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 COC1=CC=NC=C1 AC510883 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 CSC1=CN=CC=N1 LN00220945 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 ClCC1=CC=CC=N1 AC510931 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 ClCC1=NC=CC=N1 AC182476 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.2 N#CC1=CC=NC=N1 AC182192 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 N#CC1=NC=CC=N1 AC180809 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 NCC1=CC=NC=N1 AC511312 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.2 NCC1=NC=CC=N1 AC182213 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 NCC1=NC=CN=C1 AC511030 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 NNC1=NC=CC=C1 AC510793 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 O=CC1=CC=CN=C1 AC170118 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 O=CC1=CC=NC=C1 AC180162 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 O=CC1=NC=CC=C1 AC500026 [1,0,0,0,0,0|0,0,0]=1 50 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.2 OCC1=NC=CC=C1 AC511744 [1,0,0,0,0,0|0,0,2]=3 52 B8R1.2 OCC1=NC=CC=N1 AC182042 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.2 ONC1=CC=CC=C1 AC500156 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 SCC1=NC=CC=C1 AC100035 [1,0,0,0,0,0|0,1,1]=3 55 B10R1.13 C1=CC(=NC=C1Br)C(=O)O LN00009289 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.13 C1=NC(=CN=C1C(=O)O)Br LN00171312 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.13 C1=NC(=CN=C1C(=O)O)N LN00159244 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 AC511499 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AC181609 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC182130 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.13 CC(=O)C1=CN=C(C=C1)Br LN00170457 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 AC181883 [0,1,0,0,0,0|0,0,0]=1 67 B10R1.13 CC(C)C1=NC=C(C=C1)N LN00179988 [0,1,0,0,0,0|1,0,1]=3 68 B10R1.13 CC1=CC=C(C=C1)C(O)=O AC190159 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.13 CC1=CC=C(C=C1)S([O-])=O AC510965 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.13 CC1=CN=C(C=C1)C(O)=O AC181304 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.13 CC1=CN=C(C=C1)[N+]([O-])=O AC180941 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.13 CC1=NN=C(C=C1)C(O)=O AC182475 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.13 CN(C)C1=CC=C(C=C1)O LN00220688 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.13 C[C@@H](C1=NC=C(C=C1)Br)N LN02000998 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 AC020028 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 AC020930 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.13 NC(=N)C1=CC=C(Br)C=C1 AC181036 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 NC(=N)C1=CC=C(Cl)C=C1 AC180714 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.13 NC(=N)C1=CC=C(N)C=C1 AC511622 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AC190321 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.13 NC(=O)C1=CC=C(F)C=C1 AC511804 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 AC182570 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 AC180441 [0,1,0,0,0,0|2,1,0]=4 90 B10R1.13 NC1=CC=C(C=C1)C(O)=O HY-B1008 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.13 NC1=CC=C(N=C1)C(O)=O AC181509 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.13 NC1=NN=C(C=C1)C(O)=O AC181995 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.13 OC(=O)C1=CC=C(Br)C=N1 AC180939 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AC181373 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.13 OC(=O)C1=CC=C(Cl)N=C1 AC180144 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.13 OC(=O)C1=CC=C(F)N=C1 AC512097 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 OC(=O)C1=CC=C(I)C=C1 AC510881 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 OC(=O)C1=CC=C(O)C=C1 AC190218 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.13 OC(=O)C1=CC=C(O)C=N1 AC181066 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.13 OC(=O)C1=CC=C(O)N=C1 AC180148 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.13 OC(=O)C1=NC=C(Br)C=N1 AC511903 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.13 OC(=O)C1=NC=C(Cl)C=C1 AC510981 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 OC(=O)C1=NC=C(F)C=C1 AC181804 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.13 OC(=O)C1=NC=C(O)N=C1 HY-76210 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 OC(=O)C1=NN=C(Cl)C=C1 AC511081 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 [O-][N+](=O)C1=CC=C(Cl)C=N1 AC181532 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.13 [O-][N+](=O)C1=CC=C(F)C=C1 AC500316 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 [O-][N+](=O)C1=NC=C(Br)C=C1 AC180808 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.13 [O-][N+](=O)C1=NC=C(F)C=C1 AC280026 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.15 BrCC(=O)C1=CC=NC=C1 AC190075 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.15 BrCC(=O)C1=NC=CC=C1 AC190303 [0,1,0,0,0,0|0,0,0]=1 113 B10R1.15 C/C(=N\O)C1=CC=CN=C1 AC170016 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.15 C1=CC(=NC=C1)C(=O)CBr LN00004265 [0,1,0,0,0,0|0,0,0]=1 115 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [0,1,0,0,0,0|1,0,2]=4 117 B10R1.15 C1=CC=NC(=C1)C(=NN)O LN00336703 [0,1,0,0,0,0|1,0,1]=3 118 B10R1.15 C1=CN=CN=C1C(=O)NN LN00337324 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.15 C1=NC=C(C(=O)NN)N=C1 LN00006178 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [0,1,0,0,0,0|1,0,1]=3 121 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.15 COC(=O)C1=CC=CN=C1 AC190178 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.15 COC(=O)C1=CC=NC=C1 AC180163 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.15 COC(=O)C1=CC=NN=C1 AC182530 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.15 COC(=O)C1=CN=CN=C1 AC050514 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.15 COC(=O)C1=NC=CC=N1 AC021481 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [0,1,0,0,0,0|1,0,2]=4 129 B10R1.15 NNC(=O)C1=CC=NC=C1 HY-B0329 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.15 NNC(=O)C1=NC=CN=C1 AC190001 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.28 CC(C)(N)C1=CC=CC=C1 AC500102 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.28 ClS(=O)(=O)C1=CC=CC=C1 AC190208 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.28 FC(F)(F)C1=NC=CC=C1 AC181450 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.28 OS(=O)(=O)C1=CC=CC=C1 AC190167 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.61 C1=C(C(=CN=C1)Br)C(=O)O LN00009298 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.61 C1=CC(=C(C(=O)O)N=C1)F LN00173629 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.61 C1=CC=C(C(=C1)C(=N)O)Br LN00236317 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.61 C1=CC=C(C(=C1)C(=N)O)I LN00200183 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.61 C1=NC(=C(Cl)N=C1)C(=O)O LN00009177 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.61 C1=NC(=C(N=C1)O)C(=O)N LN00227281 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.61 CC(=O)C1=CC=CC=C1Br AC511597 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.61 CC(=O)C1=CC=CC=C1Cl AC500259 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.61 CC(=O)C1=CC=CC=C1I LN00159959 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.61 CC(=O)C1=CC=CC=C1N AC180212 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.61 CC(=O)C1=CC=CC=C1O AC510427 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.61 CC(=O)C1=CC=CN=C1Cl AC181741 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.61 CC1=C(C=CC=C1)C(O)=O AC511474 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.61 CC1=C(C=CN=C1)C(O)=O AC270034 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.61 CC1=CC=CN=C1C(O)=O AC180861 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.61 CC1=CC=NC=C1C(O)=O AC180723 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.61 CC1=NC=CC=C1C(O)=O AC180300 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.61 CC1=NC=CN=C1C(O)=O AC182348 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.61 CN(C)C1=CC=CC=C1N AC511923 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [0,1,0,0,0,0|1,0,2]=4 158 B10R1.61 C[C@H](C1=CC=CC=C1Br)N LN02156247 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.61 C[C@H](N)C1=CC=CC=C1F AC181536 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [0,1,0,0,0,0|1,0,2]=4 161 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 AC182435 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.61 NC(=O)C1=C(N)C=CC=C1 AC190185 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.61 NC(=O)C1=C(N)C=NC=C1 AC511944 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.61 NC(=O)C1=CC=CC=C1I AC190079 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.61 NC(=O)C1=CC=CN=C1N AC180726 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.61 NC(=O)C1=NC=CC=C1N AC181996 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.61 NC(=O)C1=NC=CN=C1Cl AC182491 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.61 NC(=O)C1=NC=CN=C1[O-] AC021296 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.61 NC1=C(C=CN=C1)C(O)=O AC180749 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.61 NC1=C(C=NC=C1)C(O)=O AC180942 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.61 NC1=CC=CN=C1C(O)=O AC180670 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.61 NC1=CC=CN=C1[N+]([O-])=O AC180471 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.61 NC1=NC=CC=C1C(O)=O AC510818 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.61 OC(=O)C1=C(Br)C=CC=C1 AC510993 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.61 OC(=O)C1=C(Br)N=CC=C1 AC130049 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.61 OC(=O)C1=C(Cl)C=NC=C1 AC181556 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.61 OC(=O)C1=C(F)C=NC=C1 AC160422 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.61 OC(=O)C1=C(I)C=CC=C1 AC180035 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.61 OC(=O)C1=CC=CC=C1O HY-B0167 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.61 OC(=O)C1=CC=CN=C1Cl AC511646 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.61 OC(=O)C1=CC=CN=C1F AC130164 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.61 OC(=O)C1=CC=NC=C1Br AC180440 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.61 OC(=O)C1=CC=NC=C1O AC170008 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.61 OC(=O)C1=CN=CC=C1Cl AC180720 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.61 OC(=O)C1=NC=CC=C1Br AC181228 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.61 OC(=O)C1=NC=CC=C1Cl AC181291 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.61 OC(=O)C1=NC=CC=C1F AC181795 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.61 OC(=O)C1=NC=CC=C1O AC180151 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.61 OC(=O)C1=NC=CN=C1Br AC512171 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.61 OC(=O)C1=NC=CN=C1Cl AC210043 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.61 OC1=CC=CC=C1C([O-])=O HY-B0167A [0,1,0,0,0,0|2,0,0]=3 192 B10R1.61 [O-][N+](=O)C1=NC=CC=C1Br AC181139 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.113 C1=C(C=NC=C1C(=O)O)Cl LN00003135 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)O LN00009301 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.113 C1=CC(=NC(=C1)F)C(=O)O LN00009991 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AC020983 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.113 CC(=O)C1=CC=CC(=N1)Br LN00004057 [0,1,0,0,0,0|0,0,0]=1 198 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 AC500258 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.113 CC(=O)C1=CC=CC(F)=C1 AC180005 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 AC511684 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 AC180989 [0,1,0,0,0,0|0,0,0]=1 202 B10R1.113 CC(=O)C1=NC(C)=CC=C1 AC181994 [0,1,0,0,0,0|0,0,0]=1 203 B10R1.113 CC(C1=CC(=CC=C1)Br)N LN01347982 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.113 CC(N)C1=CC(O)=CC=C1 AC020799 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC021480 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC182169 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.113 CC1=CC(=CC=N1)C(=O)O LN00011005 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.113 CC1=CC(=CN=C1)C(O)=O AC181129 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.113 CC1=CC=CC(=N1)B(O)O AC511263 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.113 CC1=CC=CC(=N1)C(O)=O AC180370 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.113 CC1=CN=CC(=N1)C(O)=O AC182346 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.113 CC1=NC(=CN=C1)C(=O)O LN00010207 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.113 CC1=NC=CC(=C1)C(O)=O AC510752 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.113 CN(C)C1=CC=CC(O)=C1 AC190067 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.113 CN(C)C1=NC(Cl)=CN=C1 AC512180 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AC511565 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 AC020029 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.113 NC(=N)C1=CC=CC(Br)=C1 AC181813 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.113 NC(=O)C1=CC(N)=CN=C1 AC182383 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.113 NC(=O)C1=CC=CC(N)=C1 HY-12022 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 HY-101407 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 AC181190 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.113 NC1=CC(=CC=N1)C(O)=O AC180915 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.113 NC1=CC=CC(=N1)C(O)=O AC180914 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.113 NC1=CN=CC(=C1)C(O)=O AC180732 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.113 NC1=CN=CC(=N1)C(O)=O AC182576 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.113 OC(=O)C1=CC(=O)NC=C1 AC181219 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.113 OC(=O)C1=CC(Cl)=CC=N1 AC180860 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AC511765 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.113 OC(=O)C1=CC(F)=CN=C1 AC511690 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AC181447 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.113 OC(=O)C1=CC(I)=NC=C1 AC190088 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.113 OC(=O)C1=CC(O)=CC=C1 AC190160 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.113 OC(=O)C1=CC=CC(=O)N1 AC180866 [0,1,0,0,0,0|1,0,1]=3 235 B10R1.113 OC(=O)C1=CC=NC(Br)=C1 AC181281 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.113 OC(=O)C1=CN(=O)=CC=C1 HY-B1061 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.113 OC(=O)C1=CN=CC(Cl)=C1 AC180728 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.113 OC(=O)C1=CN=CC(O)=C1 AC500286 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AC510356 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.113 OC(=O)C1=NC(Cl)=CC=C1 AC180794 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.113 OC(=O)C1=NC=CC(Br)=C1 AC511849 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.113 OC(=O)C1=NC=CC(O)=C1 AC181051 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.113 [O-][N+](=O)C1=CC=CC(Cl)=N1 AC170129 [0,1,0,0,0,0|2,0,0]=3 244 B8R1.7 C1=C(C(=O)O)SN=C1 LN01368400 [0,0,0,0,1,0|3,0,0]=4 245 B8R1.7 C1=COC(=N1)C(=O)N LN02009510 [0,0,0,0,1,0|2,0,0]=3 246 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [0,0,0,0,1,0|1,0,0]=2 247 B8R1.7 CC(=O)C1=CSC=C1 AC500077 [0,0,0,0,1,0|1,0,0]=2 248 B8R1.7 CC(=O)C1=NC=CN1 AC210047 [0,0,0,0,1,0|1,0,0]=2 249 B8R1.7 CC(=O)C1=NC=CS1 AC510705 [0,0,0,0,1,0|1,0,0]=2 250 B8R1.7 CC(=O)C1=NCCS1 AC180880 [0,0,0,0,1,0|1,0,2]=4 251 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [0,0,0,0,1,0|2,0,1]=4 252 B8R1.7 CC(C)C1=NC=CN1 AC130259 [0,0,0,0,1,0|2,0,1]=4 253 B8R1.7 CC(C)N1C=CC=N1 AC130056 [0,0,0,0,1,0|2,0,1]=4 254 B8R1.7 CC(N)C1=NC=CS1 AC182658 [0,0,0,0,1,0|2,0,1]=4 255 B8R1.7 ClC(=O)C1=CC=CN1 AC180091 [0,0,0,0,1,0|1,0,1]=3 256 B8R1.7 NC(=N)C1=NC=CS1 AC182779 [0,0,0,0,1,0|3,0,0]=4 257 B8R1.7 NC(=O)C1=COC=N1 AC182643 [0,0,0,0,1,0|2,0,0]=3 258 B8R1.7 OC(=O)C1=CC=CO1 AC510992 [0,0,0,0,1,0|2,0,0]=3 259 B8R1.7 OC(=O)C1=CC=NO1 AC050948 [0,0,0,0,1,0|3,0,0]=4 260 B8R1.7 OC(=O)C1=CN=CO1 AC500181 [0,0,0,0,1,0|3,0,0]=4 261 B8R1.7 OC(=O)C1=CN=CS1 AC181678 [0,0,0,0,1,0|3,0,0]=4 262 B8R1.7 OC(=O)C1=CNC=C1 AC181119 [0,0,0,0,1,0|2,0,0]=3 263 B8R1.7 OC(=O)C1=CNC=N1 AC511460 [0,0,0,0,1,0|2,0,0]=3 264 B8R1.7 OC(=O)C1=CNN=C1 AC180266 [0,0,0,0,1,0|3,0,0]=4 265 B8R1.7 OC(=O)C1=COC=N1 AC510698 [0,0,0,0,1,0|2,0,0]=3 266 B8R1.7 OC(=O)C1=CSC=C1 AC310080 [0,0,0,0,1,0|2,0,0]=3 267 B8R1.7 OC(=O)C1=CSC=N1 AC360006 [0,0,0,0,1,0|2,0,0]=3 268 B8R1.7 OC(=O)C1=NC=CN1 AC180986 [0,0,0,0,1,0|2,0,0]=3 269 B8R1.7 OC(=O)C1=NC=CS1 AC510654 [0,0,0,0,1,0|2,0,0]=3 270 B8R1.7 OC(=O)C1=NNC=C1 AC180630 [0,0,0,0,1,0|2,0,0]=3 271 B8R1.7 OC(=O)C1=NON=C1 AC190011 [0,0,0,0,1,0|3,0,0]=4 272 B8R1.7 [O-]C(=O)C1=CC=CS1 AC030126 [0,0,0,0,1,0|2,0,0]=3 273 B8R1.7 [O-][N+](=O)C1=CNC=C1 AC511749 [0,0,0,0,1,0|3,0,0]=4 274 B8R1.7 [O-][N+](=O)C1=NC=CN1 AC180088 [0,0,0,0,1,0|3,0,0]=4 275 B10R1.18 C1=C(C=CN=C1)CC(=O)O LN00224216 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [0,0,0,0,0,1|2,0,1]=4 277 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [0,0,0,0,0,1|0,0,0]=1 279 B10R1.18 ClC(=S)OC1=CC=CC=C1 AC500117 [0,0,0,0,0,1|2,1,0]=4 280 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.18 OC(=O)CC1=CC=CN=C1 AC290044 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.18 OC(=O)CC1=CC=NC=C1 AC180287 [0,0,0,0,0,1|3,0,0]=4 283 B7R1.3 BrC1=CC=CN=N1 AC190121 [2,0,0,0,0,0|2,0,0]=4 284 B7R1.3 BrC1=CC=CN=N1 AC310137 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.3 BrC1=NC=CC=C1 AC130148 [2,0,0,0,0,0|1,0,0]=3 286 B7R1.3 BrC1=NC=CC=N1 AC500033 [2,0,0,0,0,0|2,0,0]=4 287 B7R1.3 BrC1=NC=CN=C1 AC510840 [2,0,0,0,0,0|2,0,0]=4 288 B7R1.3 CC1=CC=CN=N1 AC510670 [2,0,0,0,0,0|1,0,0]=3 289 B7R1.3 CC1=CC=NC=N1 AC021043 [2,0,0,0,0,0|1,0,0]=3 290 B7R1.3 ClC1=NC=CN=C1 AC500205 [2,0,0,0,0,0|2,0,0]=4 291 B7R1.3 IC1=CC=CC=C1 AC130763 [2,0,0,0,0,0|2,0,0]=4 292 B7R1.3 IC1=CC=CC=N1 AC190289 [2,0,0,0,0,0|1,0,0]=3 293 B7R1.3 IC1=NC=CN=C1 AC511853 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.3 NC1=NC=CC=N1 AC130528 [2,0,0,0,0,0|2,0,0]=4 295 B7R1.3 NC1=NC=CN=C1 AC180138 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.3 NC1=NN=CC=C1 AC181239 [2,0,0,0,0,0|2,0,0]=4 297 B7R1.3 O=C1NC=CC=N1 AC180285 [2,0,0,0,0,0|1,0,0]=3 298 B7R1.3 O=C1NN=CC=C1 AC180688 [2,0,0,0,0,0|1,0,1]=4 299 B7R1.3 OC1=NC=CC=C1 AC500203 [2,0,0,0,0,0|0,0,1]=3 300 B9R0.55 OC(=O)/C=C\C=C/C(O)=O AC070081 [0,1,1,0,0,0|2,0,0]=4 301 B9R1.1 BC1=CC=C(OC)C=C1 AC090165 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.1 BrC1=CC=C(C=C)C=C1 AC500252 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.1 BrC1=CC=C(C=O)C=C1 AC130129 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.1 BrC1=CC=C(C=O)C=N1 AC181833 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.1 BrC1=CC=C(C=O)N=C1 AC181786 [1,1,0,0,0,0|0,0,0]=2 306 B9R1.1 BrC1=CN=C(C=C1)C#N AC511012 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.1 CC1=CC=C(C=O)C=C1 AC131766 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.1 CC1=CC=C(C=O)C=N1 AC100063 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.1 CC1=CC=C(C=O)N=C1 AC511100 [1,1,0,0,0,0|0,0,0]=2 310 B9R1.1 CC1=CN=C(C=C1)C#N AC181932 [1,1,0,0,0,0|1,0,1]=4 311 B9R1.1 CNC1=NN=C(Cl)C=C1 AC181410 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.1 COC1=CC=C(Br)C=N1 AC130157 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.1 COC1=CC=C(Cl)N=N1 AC130198 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.1 COC1=CC=C(I)C=C1 AC190049 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.1 COC1=CC=C(I)C=N1 AC070095 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.1 COC1=CC=C(S)C=C1 AC130236 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.1 COC1=CN=C(N)C=N1 AC512160 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.1 COC1=NC=C(Br)C=C1 AC130150 [1,1,0,0,0,0|1,0,0]=3 320 B9R1.1 COC1=NC=C(Br)C=N1 AC181878 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.1 COC1=NC=C(C)C=C1 AC182341 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.1 COC1=NC=C(Cl)C=C1 AC070111 [1,1,0,0,0,0|1,0,0]=3 323 B9R1.1 COC1=NC=C(N)C=C1 AC180146 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.1 COC1=NC=C(N)C=N1 AC182229 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.1 COC1=NC=C(O)C=C1 AC511210 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.1 COC1=NC=C(O)C=N1 AC040104 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.1 CSC1=NC=C(Br)C=N1 AC511500 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.1 CSC1=NC=C(C=N1)O LN00335641 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.1 CSC1=NC=C(O)C=N1 AC180908 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.1 ClC1=CC=C(C=O)C=N1 AC020051 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.1 ClC1=CN=C(C=C1)C#N AC512147 [1,1,0,0,0,0|1,0,1]=4 333 B9R1.1 ClC1=CN=C(C=O)C=C1 AC182265 [1,1,0,0,0,0|0,0,0]=2 334 B9R1.1 FC1=CC=C(C=O)C=C1 AC131767 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.1 FC1=CN=C(C=C1)C#N AC511660 [1,1,0,0,0,0|1,0,1]=4 336 B9R1.1 FC1=CN=C(C=O)C=C1 AC511176 [1,1,0,0,0,0|0,0,0]=2 337 B9R1.1 FC1=NC=C(C=O)C=C1 AC511039 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.1 IC1=CC=C(C=O)C=C1 AC180421 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.1 NCC1=NC=C(Br)C=C1 AC181948 [1,1,0,0,0,0|1,0,1]=4 340 B9R1.1 NNC1=NC=C(Br)C=C1 AC181048 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.1 OC1=CC=C(C=O)C=C1 AC130039 [1,1,0,0,0,0|1,0,0]=3 342 B9R1.1 OC1=CC=C(C=O)C=N1 AC511193 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.1 OC1=CN=C(C=O)C=C1 AC511243 [1,1,0,0,0,0|0,0,0]=2 344 B9R1.1 OCC1=NC=C(Br)C=C1 AC181754 [1,1,0,0,0,0|0,0,2]=4 345 B9R1.1 OCC1=NC=C(O)C=C1 AC512020 [1,1,0,0,0,0|0,0,2]=4 346 B9R1.2 BrC1=CC(C=O)=NC=C1 AC511173 [1,1,0,0,0,0|0,0,0]=2 347 B9R1.2 BrC1=CC=CC(=N1)C#N AC511480 [1,1,0,0,0,0|1,0,1]=4 348 B9R1.2 BrC1=CC=CC(C=O)=C1 AC500300 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.2 BrC1=CC=CC(C=O)=N1 AC181501 [1,1,0,0,0,0|0,0,0]=2 350 B9R1.2 BrC1=CN=CC(C=O)=C1 AC181606 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.2 C1=CC(=NC(=C1)Br)C=O LN00008017 [1,1,0,0,0,0|0,0,0]=2 352 B9R1.2 C1=CC(=NC(=C1)Br)CO LN00009570 [1,1,0,0,0,0|0,0,2]=4 353 B9R1.2 C1=CN=C(C=C1Br)CN LN00173736 [1,1,0,0,0,0|1,0,1]=4 354 B9R1.2 C1=CNC(=O)C=C1C=O LN00003854 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.2 CC1=CC(=NC=C1)C#N AC511539 [1,1,0,0,0,0|1,0,1]=4 356 B9R1.2 CC1=CC(C=O)=NC=C1 AC510820 [1,1,0,0,0,0|0,0,0]=2 357 B9R1.2 CC1=CC=CC(=N1)C#N AC180851 [1,1,0,0,0,0|1,0,1]=4 358 B9R1.2 CC1=CC=CC(=N1)OC LN00002432 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.2 CC1=CC=CC(C=O)=N1 AC510632 [1,1,0,0,0,0|0,0,0]=2 360 B9R1.2 CC1=CC=CC(CN)=N1 AC190009 [1,1,0,0,0,0|1,0,1]=4 361 B9R1.2 CC1=NC(=CC=C1)CO LN00224223 [1,1,0,0,0,0|0,0,2]=4 362 B9R1.2 CC1=NC=CC(C=O)=C1 AC181964 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.2 CCC1=NC=CC(=C1)Br LN02122573 [1,1,0,0,0,0|0,0,1]=3 364 B9R1.2 CCC1=NC=NC(Cl)=C1 AC511297 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.2 CNC1=CC(Br)=CC=C1 AC020132 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.2 CNC1=CC(Cl)=NC=N1 AC190073 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.2 COC1=CC=CC(Br)=N1 AC180668 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.2 COC1=CC=CC(C)=N1 AC181782 [1,1,0,0,0,0|1,0,0]=3 369 B9R1.2 COC1=CC=CC(N)=C1 AC130321 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.2 COC1=CC=CC(N)=N1 AC181869 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.2 COC1=CC=CC(O)=C1 AC130088 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.2 COC1=NC(Cl)=CC=C1 AC180147 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.2 COC1=NC(Cl)=NC=C1 AC180869 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.2 COC1=NC(F)=CC=C1 AC070088 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.2 COC1=NC(N)=NC=C1 AC512040 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.2 COC1=NC=CC(Br)=C1 AC182264 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.2 COC1=NC=CC(Cl)=C1 AC512031 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.2 COC1=NC=CC(N)=C1 AC182029 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.2 COC1=NC=NC(Cl)=C1 AC181930 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.2 CSC1=CC(N)=CC=C1 AC500237 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.2 CSC1=NC(=O)C=CN1 LN00004447 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.2 CSC1=NC=CC(=O)N1 AC181143 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.2 CSC1=NC=CC(Br)=N1 AC182505 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.2 CSC1=NC=CC(Cl)=N1 AC511714 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.2 ClC1=CC(C=O)=CC=C1 AC511323 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.2 ClC1=CC(C=O)=NC=C1 AC182139 [1,1,0,0,0,0|0,0,0]=2 387 B9R1.2 ClC1=NC=CC(C=O)=C1 AC511448 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.2 FC1=CC(C=O)=CC=C1 AC511704 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.2 FC1=CC(C=O)=CN=C1 AC512032 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.2 FC1=NC(C=O)=CC=C1 AC181585 [1,1,0,0,0,0|0,0,0]=2 391 B9R1.2 IC1=CC(C=O)=CC=C1 AC511778 [1,1,0,0,0,0|1,0,0]=3 392 B9R1.2 NC1=CC=CC(=N1)C#N AC512078 [1,1,0,0,0,0|1,0,1]=4 393 B9R1.2 NC1=CC=CC(CO)=N1 AC190007 [1,1,0,0,0,0|0,0,2]=4 394 B9R1.2 NNC1=CC=CC(Br)=N1 AC182441 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.2 OC1=CC=CC(C=O)=C1 AC130074 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.2 OCC1=CC=CC(Br)=N1 AC181774 [1,1,0,0,0,0|0,0,2]=4 397 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182154 [1,1,0,0,0,0|0,0,2]=4 398 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182330 [1,1,0,0,0,0|0,0,2]=4 399 B9R1.2 OCC1=NC=CC(Cl)=C1 AC182138 [1,1,0,0,0,0|0,0,2]=4 400 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [1,1,0,0,0,0|0,0,1]=3 401 B9R1.8 CNCC1=CC=CC=C1 AC500163 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [1,1,0,0,0,0|0,0,1]=3 403 B9R1.8 OCCC1=NC=CN=C1 AC051081 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.8 S=C=NC1=NC=CC=C1 AC020652 [1,1,0,0,0,0|0,1,1]=4 405 B9R1.15 BrC1=C(C=O)C=CC=C1 AC190053 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.15 BrC1=C(C=O)C=CN=C1 AC511781 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.15 BrC1=CC=CN=C1C#N AC181499 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.15 BrC1=CC=NC=C1C=O AC290066 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.15 BrC1=NC=CC=C1C=O AC130168 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.15 C1=CC(=C(C=O)N=C1)O LN00121425 [1,1,0,0,0,0|0,0,0]=2 411 B9R1.15 CC1=CC=CC=C1C=O AC511038 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.15 CC1=CC=CN=C1C=O AC181444 [1,1,0,0,0,0|0,0,0]=2 413 B9R1.15 CCC1=CC=CC=C1Br AC500247 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.15 CCC1=NC=CC=C1O LN00004884 [1,1,0,0,0,0|0,0,1]=3 415 B9R1.15 CNC1=C(O)C=CC=C1 AC512071 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.15 CNC1=CC=CC=C1N AC511708 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.15 CNC1=CC=CC=C1N LN01309502 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.15 COC1=C(Br)C=CC=C1 AC510848 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.15 COC1=C(I)C=CC=C1 AC510814 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.15 COC1=CC=CC=C1O AC190186 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.15 COC1=NC=CC=C1Br AC181597 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.15 COC1=NC=CC=C1Cl AC181590 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.15 COC1=NC=CC=C1I AC181562 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.15 COC1=NC=CN=C1Cl AC512133 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.15 COC1=NC=NC=C1Br AC511947 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.15 COC1=NC=NC=C1Cl AC070067 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.15 ClC1=C(C=O)C=CN=C1 AC510941 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.15 ClC1=CC=CC=C1C=O AC190062 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.15 ClC1=CC=CN=C1C#N AC181716 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.15 ClC1=CC=CN=C1C=O AC511242 [1,1,0,0,0,0|0,0,0]=2 431 B9R1.15 FC1=CC=CC=C1C=O AC510338 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.15 FC1=CC=CN=C1C#N AC511907 [1,1,0,0,0,0|1,0,1]=4 433 B9R1.15 FC1=CC=CN=C1C=O AC100101 [1,1,0,0,0,0|0,0,0]=2 434 B9R1.15 FC1=NC=CC=C1C=O AC512030 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 NC1=C(C=O)C=CC=C1 AC510813 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.15 NC1=CC=CN=C1C#N AC181442 [1,1,0,0,0,0|1,0,1]=4 437 B9R1.15 NC1=NC=CC=C1C=O AC020960 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.15 NNC1=NC=CC=C1Cl AC181379 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.15 O=CC1=CC=CNC1=O AC182145 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.15 OC1=C(C=O)C=CC=C1 AC190207 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.15 OC1=C(C=O)C=CN=C1 AC511223 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.15 OC1=CC=CN=C1C#N AC511818 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.15 OC1=CC=CN=C1C=O AC270030 [1,1,0,0,0,0|0,0,0]=2 444 B9R1.11 BrCC(=O)C1=NC=CS1 AC040123 [0,1,0,0,1,0|1,0,0]=3 445 B9R1.11 CNC(=O)C1=CNN=C1 AC030124 [0,1,0,0,1,0|2,0,0]=4 446 B9R1.11 COC(=O)C1=CC=CN1 AC511475 [0,1,0,0,1,0|0,0,1]=3 447 B9R1.11 COC(=O)C1=CC=CS1 LN00186303 [0,1,0,0,1,0|1,0,0]=3 448 B9R1.11 COC(=O)C1=CN=CN1 AC180901 [0,1,0,0,1,0|1,0,1]=4 449 B9R1.11 COC(=O)C1=CN=CN1 LN00009425 [0,1,0,0,1,0|1,0,1]=4 450 B9R1.11 COC(=O)C1=CN=CS1 AC021342 [0,1,0,0,1,0|2,0,0]=4 451 B9R1.11 COC(=O)C1=CNC=C1 AC511033 [0,1,0,0,1,0|1,0,0]=3 452 B9R1.11 COC(=O)C1=COC=N1 AC050400 [0,1,0,0,1,0|1,0,0]=3 453 B9R1.11 COC(=O)C1=CSC=C1 AC500266 [0,1,0,0,1,0|1,0,0]=3 454 B9R1.11 COC(=O)C1=CSC=N1 AC181967 [0,1,0,0,1,0|1,0,0]=3 455 B9R1.11 COC(=O)C1=NC=CN1 AC131054 [0,1,0,0,1,0|1,0,0]=3 456 B9R1.11 COC(=O)C1=NNC=C1 AC510661 [0,1,0,0,1,0|1,0,0]=3 457 B9R1.11 COC(=O)C1=NNC=N1 AC511711 [0,1,0,0,1,0|2,0,0]=4 458 B9R1.11 NNC(=O)C1=CC=CO1 AC021398 [0,1,0,0,1,0|2,0,0]=4 459 B9R1.35 C1=C(C(=O)O)SC(=C1)Br LN00009121 [0,1,0,0,1,0|2,0,0]=4 460 B9R1.35 CC(=O)C1=CC=C(C)S1 AC180308 [0,1,0,0,1,0|1,0,0]=3 461 B9R1.35 CC1=CC(=NO1)C(O)=O AC500307 [0,1,0,0,1,0|2,0,0]=4 462 B9R1.35 CC1=CC=C(O1)C(O)=O AC180680 [0,1,0,0,1,0|2,0,0]=4 463 B9R1.35 CC1=CC=C(S1)C(O)=O AC511071 [0,1,0,0,1,0|2,0,0]=4 464 B9R1.35 CN1C=C(C=N1)C(C)=O AC511894 [0,1,0,0,1,0|2,0,0]=4 465 B9R1.35 CN1C=CC(=C1)C(O)=O AC182631 [0,1,0,0,1,0|2,0,0]=4 466 B9R1.35 CN1C=CC(=N1)C(O)=O AC181030 [0,1,0,0,1,0|2,0,0]=4 467 B9R1.35 CN1C=NC(=C1)C(O)=O AC181435 [0,1,0,0,1,0|2,0,0]=4 468 B9R1.35 ClC(=O)C1=CC=C(Cl)S1 AC180470 [0,1,0,0,1,0|2,0,0]=4 469 B9R1.35 OC(=O)C1=CC(Br)=CS1 AC181641 [0,1,0,0,1,0|2,0,0]=4 470 B9R1.35 OC(=O)C1=CC=C(Br)O1 AC130080 [0,1,0,0,1,0|2,0,0]=4 471 B9R1.35 OC(=O)C1=CC=C(Br)S1 AC020591 [0,1,0,0,1,0|2,0,0]=4 472 B9R1.35 OC(=O)C1=CC=C(Cl)O1 AC511241 [0,1,0,0,1,0|2,0,0]=4 473 B9R1.35 OC(=O)C1=CC=C(Cl)S1 AC021211 [0,1,0,0,1,0|2,0,0]=4 474 B9R1.35 OC(=O)C1=CSC(Br)=C1 AC051032 [0,1,0,0,1,0|2,0,0]=4 475 B9R1.35 OC(=O)C1=CSC(Br)=N1 AC181839 [0,1,0,0,1,0|2,0,0]=4 476 B9R1.35 OC(=O)C1=NNC(Cl)=C1 AC182427 [0,1,0,0,1,0|2,0,0]=4 477 B9R1.41 C1=NC(=C(N)S1)C(=O)N LN00337314 [0,1,0,0,1,0|2,0,0]=4 478 B9R1.41 CC(=O)C1=CNC=C1C AC330027 [0,1,0,0,1,0|1,0,0]=3 479 B9R1.41 CC1=C(C(=O)O)NC=C1 LN01237182 [0,1,0,0,1,0|1,0,1]=4 480 B9R1.41 CN1C=CC=C1C(=O)O LN00149766 [0,1,0,0,1,0|1,0,1]=4 481 B9R1.41 CN1C=CN=C1C(C)=O AC511919 [0,1,0,0,1,0|1,0,0]=3 482 B9R1.41 CN1C=CN=C1C(O)=O AC511055 [0,1,0,0,1,0|2,0,0]=4 483 B9R1.41 NC(=O)C1=C(N)SC=C1 AC511070 [0,1,0,0,1,0|2,0,0]=4 484 B9R1.41 NC(=O)C1=C(N)SC=N1 AC182669 [0,1,0,0,1,0|2,0,0]=4 485 B9R1.41 NN1C=CC=C1C(N)=O AC182612 [0,1,0,0,1,0|1,0,1]=4 486 B9R1.41 OC(=O)C1=C(Br)SC=C1 AC100025 [0,1,0,0,1,0|2,0,0]=4 487 B9R1.41 OC(=O)C1=C(F)C=CS1 AC181662 [0,1,0,0,1,0|2,0,0]=4 488 B9R1.41 OC(=O)C1=CSC=C1Br AC050399 [0,1,0,0,1,0|2,0,0]=4 489 B9R1.41 OC(=O)C1=NNC=C1Br AC181234 [0,1,0,0,1,0|2,0,0]=4 490 B11R1.20 CC(=NC1=CC=C(C=C1)I)O LN01092551 [0,1,0,0,0,1|1,0,1]=4 491 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 AC180006 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 AC190309 [0,1,0,0,0,1|1,0,0]=3 493 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HY-66005 [0,1,0,0,0,1|1,0,0]=3 494 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 AC021499 [0,1,0,0,0,1|1,0,0]=3 495 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 AC021568 [0,1,0,0,0,1|1,0,0]=3 496 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 AC020469 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.20 NC1=CC=C(CC(O)=O)C=C1 AC500183 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AC130091 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.20 OC(=O)CC1=CC=C(F)C=C1 AC180075 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.20 OC(=O)CC1=CC=C(I)C=C1 AC180656 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AC130027 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.20 OC(=O)CC1=CC=C(S)C=C1 AC130028 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 AC510790 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.36 C[C@@H](C(O)=O)C1=CC=CC=C1 AC190251 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.36 C[C@H](C(O)=O)C1=CC=CC=C1 AC180569 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.36 OC(=O)C(=C)C1=CC=CC=C1 AC021026 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 AC180081 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.40 BrCC(=O)NC1=CC=CC=C1 AC050571 [0,1,0,0,0,1|1,0,0]=3 509 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,1,0,0,0,1|1,0,0]=3 510 B11R1.40 COC(=O)CC1=CN=CC=C1 LN00214372 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.40 COC(=O)CC1=NC=CN=C1 AC051082 [0,1,0,0,0,1|1,0,0]=3 512 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br LN00124676 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.86 CC(=NC1=CC=CC=C1N)O LN00141995 [0,1,0,0,0,1|1,0,1]=4 514 B11R1.86 CC(=O)CC1=CC=CC=C1Br AC511603 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.86 OC(=O)CC1=C(I)C=CC=C1 AC510681 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.86 OC(=O)CC1=C(O)C=CC=C1 AC130768 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.157 CC(=NC1=CC=CC(=N)N1)O LN00337588 [0,1,0,0,0,1|0,0,2]=4 518 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 AC020586 [0,1,0,0,0,1|1,0,0]=3 519 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AC181194 [0,1,0,0,0,1|0,0,0]=2 520 B11R1.157 CC(=O)OC1=CC=CC(C)=C1 HY-B0948 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 HY-B0894 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.157 OC(=O)CC1=CC(O)=CC=C1 AC130034 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.157 OC(=O)CC1=CC=CC(Br)=C1 AC511114 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.157 OC(=O)CC1=CC=CC(Cl)=C1 AC500241 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.157 OC(=O)CC1=CC=CC(F)=C1 AC511141 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.157 OC(=O)CC1=CC=CC(I)=C1 AC511575 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O LN00115884 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N AC180027 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 AC511182 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.3 CC(=O)C1=CN=C(C=C1)OC LN00220760 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.3 COC1=CN=C(C=C1)C(O)=O AC500082 [0,2,0,0,0,0|1,0,0]=3 532 B11R1.3 COC1=CN=C(C=N1)C(=O)O LN00011206 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.3 COC1=NC=C(C=C1)C(C)=O AC510693 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.3 NCC1=CC=C(C=C1)C(O)=O HY-B1258 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.3 OC(=O)C1=CC=C(C=C)C=C1 AC510627 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.3 OC(=O)C1=CC=C(C=C1)C#C AC500166 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.3 OC(=O)C1=CC=C(C=O)C=C1 AC510882 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.3 OCC1=CC=C(C=C1)C(O)=O AC511649 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 AC130923 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 AC180425 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC190146 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br LN00009079 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O LN01360918 [0,2,0,0,0,0|1,0,0]=3 544 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 AC180895 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.21 CC(=O)C1=CC=C(F)C(Cl)=C1 AC511644 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.21 CC(=O)C1=CC=C(F)C(F)=C1 AC511682 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 AC160576 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.21 CC1=C(Br)C=CC(=C1)C(O)=O AC180420 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)I LN01356961 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I LN00009376 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.21 CC1=C(F)C=C(C=C1)C(O)=O AC180041 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.21 CC1=C(F)C=CC(=C1)C(O)=O AC510753 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.21 CC1=CC(=CC=C1O)C(O)=O AC180983 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.21 CC1=CC(=NC=C1Br)C(O)=O AC182131 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.21 CC1=CC(=NC=C1Br)N(C)C LN00156075 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.21 CC1=CC=C(C=C1Br)C(O)=O AC511792 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.21 CC1=[N+]([O-])C=C(N=C1)C(O)=O HY-B0283 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.21 FC1=C(F)C=C(C=C1)C(Cl)=O AC021119 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.21 NC1=C(N)C=C(C=C1)C(O)=O AC200130 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.21 NC1=CC=C(C=C1F)C(O)=O AC511703 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.21 NC1=CC=C(C=C1O)C(O)=O AC180334 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.21 OC(=O)C1=CC(Br)=C(F)C=C1 AC511159 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.21 OC(=O)C1=CC(Cl)=C(F)C=C1 AC511282 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.21 OC(=O)C1=CC(F)=C(I)C=C1 AC182155 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.21 OC(=O)C1=CC=C(Br)C(F)=C1 AC181079 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.21 OC(=O)C1=CC=C(Br)C(O)=C1 AC182195 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.21 OC(=O)C1=CC=C(Cl)C(O)=C1 AC511937 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.21 OC(=O)C1=CC=C(I)C(O)=C1 AC131761 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.21 OC(=O)C1=CC=C(O)C(O)=C1 HY-N0294 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.21 OC(=O)C1=NC(Br)=C(F)C=C1 AC020158 [0,2,0,0,0,0|1,0,0]=3 571 B11R1.22 C1=C(C=CC(=C1)Br)C(=O)CN LN00146620 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.22 C1=C(C=CC(=C1)F)C(=O)NN LN00116928 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr AC500028 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br LN00225179 [0,2,0,0,0,0|1,0,0]=3 575 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 AC181779 [0,2,0,0,0,0|0,0,0]=2 576 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 AC181863 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AC021180 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 AC190192 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.22 COC(=O)C1=CC=C(F)N=C1 AC510655 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.22 COC(=O)C1=CC=C(I)C=C1 AC130758 [0,2,0,0,0,0|1,0,0]=3 581 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AC500030 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.22 COC(=O)C1=CC=C(O)C=C1 AC190171 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.22 COC(=O)C1=CN=C(C)C=C1 AC021708 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 AC511665 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.22 COC(=O)C1=CN=C(N)C=C1 AC181104 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 AC511168 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.22 COC(=O)C1=NC=C(C)C=N1 AC051089 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 AC512123 [0,2,0,0,0,0|0,0,0]=2 589 B11R1.22 COC(=O)C1=NC=C(N)C=C1 AC160157 [0,2,0,0,0,0|0,0,0]=2 590 B11R1.22 COC(=O)C1=NC=C(N)N=C1 AC182456 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 AC511897 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.22 FC1=CC=C(C=C1)C(=O)CBr AC510754 [0,2,0,0,0,0|1,0,0]=3 593 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 AC512178 [0,2,0,0,0,0|1,0,0]=3 594 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O LN00008566 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.166 C1=CC(=C(C=C1O)Br)C(=O)O LN01038895 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl LN01796470 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 AC220119 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.166 CC(=O)C1=CC=C(Br)C=C1O AC181677 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br AC511164 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl AC500263 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.166 CC(=O)C1=CC=C(N)C=C1O AC511889 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.166 CC(=O)C1=CC=C(O)C=C1F AC021126 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.166 CC(=O)C1=NC=C(F)C=C1F AC050224 [0,2,0,0,0,0|0,0,0]=2 604 B11R1.166 CC1=C(N=CC(Br)=C1)C(O)=O AC182133 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.166 CC1=CC(Br)=CC=C1C(O)=O AC250047 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.166 CC1=CC(Cl)=CN=C1C(O)=O AC182134 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.166 CC1=CC(F)=C(C=C1)C(O)=O AC181531 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.166 CC1=CC(N)=CC=C1C(O)=O AC181976 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.166 CC1=CC=C(C(O)=O)C(Br)=C1 AC511793 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.166 CC1=CC=C(C(O)=O)C(N)=C1 AC511862 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N AC182388 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.166 NC1=C(C=CC(Cl)=C1)C(O)=O AC180214 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.166 NC1=CC(Br)=CC=C1C(O)=O AC181692 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.166 NC1=CC(Cl)=C(C=C1)C(O)=O AC511619 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.166 NC1=CC(I)=CC=C1C(O)=O AC182459 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.166 NC1=CC=C(C(O)=O)C(F)=C1 AC511347 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.166 NC1=CC=C(C(O)=O)C(O)=C1 HY-B1048 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.166 OC(=O)C1=C(Br)C=C(Cl)C=C1 AC181078 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.166 OC(=O)C1=C(Br)C=C(F)C=C1 AC180537 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.166 OC(=O)C1=C(Cl)C=C(Cl)C=C1 AC510802 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.166 OC(=O)C1=C(Cl)C=C(F)C=C1 AC200135 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=C1 AC511019 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.166 OC(=O)C1=C(F)C=C(Cl)C=C1 AC510774 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.166 OC(=O)C1=C(F)C=C(F)C=C1 AC180271 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.166 OC(=O)C1=C(F)C=C(I)C=C1 AC181546 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.166 OC(=O)C1=C(O)C=C(Br)C=C1 AC500228 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.166 OC(=O)C1=CC=C(Br)C=C1Cl AC180439 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.166 OC(=O)C1=CC=C(Cl)C=C1I AC511491 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.166 OC(=O)C1=CC=C(F)C=C1O AC511669 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.166 OC(=O)C1=CC=C(O)C=C1F AC181201 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.166 OC(=O)C1=NC=C(Br)C=C1Cl AC182704 [0,2,0,0,0,0|1,0,0]=3 632 B11R1.166 OC(=O)C1=NC=C(Cl)C=C1Cl AC181600 [0,2,0,0,0,0|1,0,0]=3 633 B11R1.166 OC(=O)C1=NC=C(Cl)N=C1Cl AC512007 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.166 OC(=O)C1=NC=C(F)C=C1F AC510952 [0,2,0,0,0,0|1,0,0]=3 635 B11R1.7 BrCS(=O)(=O)C1=CC=CC=C1 AC030196 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.7 NCC(F)(F)C1=NC=CC=C1 AC020049 [0,2,0,0,0,0|1,0,1]=4 637 B11R1.16 CCOC(=O)C1=CC=CC=N1 LN00174068 [0,2,0,0,0,0|0,0,0]=2 638 B11R1.16 CCOC(=O)C1=CC=NC=N1 AC182470 [0,2,0,0,0,0|1,0,0]=3 639 B11R1.16 CCOC(=O)C1=NC=CN=N1 AC050203 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.16 ClCOC(=O)C1=CC=CC=C1 AC511140 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.16 O=C(CC#N)C1=CC=CC=C1 AC500022 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.16 O=C(CC#N)C1=CC=CN=C1 AC182272 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.16 O=C(CC#N)C1=NC=CC=C1 AC160466 [0,2,0,0,0,0|0,0,0]=2 644 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr LN00145927 [0,2,0,0,0,0|1,0,0]=3 645 B11R1.23 CC1=CC(=CC=N1)C(=O)OC LN00222103 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.23 CNC(=O)C1=CC(Cl)=CC=N1 AC021408 [0,2,0,0,0,0|0,0,0]=2 647 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 AC021409 [0,2,0,0,0,0|0,0,0]=2 648 B11R1.23 COC(=O)C1=CC(=O)N=CN1 AC181043 [0,2,0,0,0,0|1,0,1]=4 649 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AC182395 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 AC500293 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AC130905 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AC030128 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.23 COC(=O)C1=CC(Cl)=CC=N1 AC500112 [0,2,0,0,0,0|0,0,0]=2 654 B11R1.23 COC(=O)C1=CC(N)=NC=C1 AC181772 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.23 COC(=O)C1=CC=CC(Br)=N1 AC021134 [0,2,0,0,0,0|0,0,0]=2 656 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 AC180795 [0,2,0,0,0,0|0,0,0]=2 657 B11R1.23 COC(=O)C1=CC=CC(I)=C1 AC130759 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.23 COC(=O)C1=CC=CC(O)=C1 AC021635 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 AC182569 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.23 COC(=O)C1=CN=CC(O)=C1 AC160383 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.23 COC(=O)C1=NC(=CN=C1)Br LN00175851 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.23 COC(=O)C1=NC(=NC=C1)Br LN02009581 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 AC512098 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.23 COC(=O)C1=NC(C)=CC=C1 AC181940 [0,2,0,0,0,0|0,0,0]=2 665 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 AC511221 [0,2,0,0,0,0|1,0,0]=3 666 B11R1.23 COC(=O)C1=NC(N)=CC=C1 AC131427 [0,2,0,0,0,0|0,0,0]=2 667 B11R1.23 COC(=O)C1=NC(N)=CN=C1 AC182575 [0,2,0,0,0,0|1,0,0]=3 668 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 AC511026 [0,2,0,0,0,0|0,0,0]=2 669 B11R1.23 COC(=O)C1=NC=CC(N)=C1 AC160525 [0,2,0,0,0,0|0,0,0]=2 670 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 AC182325 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.23 ClC1=CC(=CC=C1)C(=O)CBr AC181101 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 AC030076 [0,2,0,0,0,0|1,0,0]=3 673 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 AC060049 [0,2,0,0,0,0|1,0,0]=3 674 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 AC030031 [0,2,0,0,0,0|1,0,0]=3 675 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 AC130237 [0,2,0,0,0,0|0,0,0]=2 676 B11R1.222 COC(=O)C1=C(F)N=CC=C1 AC181573 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.222 COC(=O)C1=C(F)N=CC=C1 LN00171755 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.222 COC(=O)C1=C(I)C=CC=C1 AC130757 [0,2,0,0,0,0|1,0,0]=3 679 B11R1.222 COC(=O)C1=C(N)C=NC=C1 AC181387 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.222 COC(=O)C1=C(O)C=NC=C1 AC181065 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.222 COC(=O)C1=CC=CN=C1C AC180513 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.222 COC(=O)C1=CC=CN=C1N AC021174 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.222 COC(=O)C1=CC=NC=C1F AC160577 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.222 COC(=O)C1=CN=CC=C1C AC182396 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.222 COC(=O)C1=CN=CC=C1N AC170093 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.222 COC(=O)C1=NC=CN=C1Br AC210044 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.222 COC(=O)C1=NC=CN=C1N AC180244 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.222 FC1=CC=CC=C1C(=O)CBr AC190234 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.222 NNC(=O)C1=CC=CC=C1O AC190220 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.87 CP(C)(=O)C1=CC=CC=C1N AC511962 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.155 CC(C)(C)C1=NC=CC(Br)=C1 AC050229 [0,2,0,0,0,0|1,0,1]=4 692 B11R1.155 CC(C)(C)C1=NC=CC(N)=C1 AC050952 [0,2,0,0,0,0|1,0,1]=4 693 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 AC270007 [0,2,0,0,0,0|0,0,2]=4 694 B11R1.155 CS(=O)(=O)C1=NC=CC(Cl)=N1 AC190143 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.53 CC(=O)C1=CC=CC=C1C#N AC511890 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.53 CCC1=CC=CC=C1C(O)=O AC220178 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.53 COC1=NC=CN=C1C(O)=O AC512126 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.53 OC(=O)C1=C(C=O)C=CC=C1 AC180060 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)Br LN01103640 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.156 CC(=O)C1=C(F)C=CC=C1F AC180004 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O LN00180777 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.156 CC1=C(C(O)=O)C(Br)=CC=C1 AC510997 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.156 CC1=C(C(O)=O)C(Cl)=CC=C1 AC180479 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.156 CC1=CC=CC(N)=C1C(O)=O AC180216 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.156 CC1=CC=CC(O)=C1C(O)=O AC181197 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.156 NC1=C(C(O)=O)C(Cl)=CC=C1 AC180503 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.156 NC1=CC=CC(Br)=C1C(O)=O AC181693 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.156 NC1=CC=CC(F)=C1C(O)=O AC130111 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.156 OC(=O)C1=C(F)C=CC=C1Br AC181254 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.156 OC(=O)C1=C(F)C=CC=C1F AC020998 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.156 OC(=O)C1=C(O)C=CC=C1F AC511776 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.159 C1=CC(=C(C(=C1)Cl)Br)C(=O)O LN00204324 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.159 C1=CC(=C(C(=C1)F)Br)C(=O)O LN01316525 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 AC182239 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.159 CC1=C(Br)C=CC=C1C(O)=O AC130042 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)I LN00116621 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.159 CC1=C(C=CC=C1Cl)C(O)=O AC180528 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.159 CC1=C(C=CC=C1F)C(O)=O AC510933 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.159 CC1=C(I)C(=CC=C1)C(O)=O AC510630 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.159 CC1=C(O)C(=CC=C1)C(O)=O HY-B1399 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.159 CC1=CC=CC(C(O)=O)=C1Br AC510821 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.159 CC1=CC=CC(C(O)=O)=C1C AC021104 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.159 CC1=CC=CC(C(O)=O)=C1N AC511696 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.159 NC1=C(Br)C=CC=C1C(O)=O AC181691 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.159 NC1=C(C=CC=C1Cl)C(O)=O AC180742 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.159 NC1=C(F)C=CC=C1C(O)=O AC181251 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.159 NC1=C(O)C=CC=C1C(O)=O AC130201 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.159 OC(=O)C1=C(Br)C(F)=CC=C1 AC130173 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.159 OC(=O)C1=CC=CC(Br)=C1O AC511188 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br LN00008719 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl LN00007888 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 AC180460 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=N1 AC050927 [0,2,0,0,0,0|0,0,0]=2 734 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 AC130204 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.167 CC(=O)C1=CC(Br)=CC=C1F AC182638 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.167 CC(=O)C1=CC(Br)=CC=C1N AC511145 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.167 CC(=O)C1=CC(Br)=CC=C1O AC510656 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Cl AC020882 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.167 CC(=O)C1=CC(F)=CC=C1O AC510745 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.167 CC1=C(C=C(I)C=C1)C(O)=O AC181258 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.167 CC1=C(C=C(N)C=C1)C(O)=O AC181945 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O LN00117409 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.167 CC1=CC=C(Br)C=C1C(O)=O AC511799 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.167 CC1=CC=C(Cl)C(=C1)C(O)=O AC511767 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.167 CC1=CC=C(Cl)N=C1C(O)=O AC050269 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.167 CC1=CC=C(N)C(=C1)C(O)=O AC180220 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.167 NC(=O)C1=NC(Br)=CN=C1O AC170012 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1O AC051078 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.167 NC(=O)C1=NC(F)=CNC1=O AC170060 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.167 NC1=C(C=C(Br)C=C1)C(O)=O AC510850 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.167 NC1=C(C=C(F)C=C1)C(O)=O AC512093 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.167 NC1=C(C=C(I)C=C1)C(O)=O AC180218 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.167 NC1=C(C=C(O)C=C1)C(O)=O AC180219 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.167 NC1=CC(C(O)=O)=C(O)C=C1 HY-15027 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.167 NC1=CC=C(Cl)N=C1C(O)=O AC182417 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.167 NC1=NC=C(Br)N=C1C(O)=O AC511230 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.167 OC(=O)C1=C(Br)C=CC(O)=C1 AC512094 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.167 OC(=O)C1=C(Cl)C=CC(F)=C1 AC180797 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 AC130216 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.167 OC(=O)C1=CC(Br)=CC=C1Br AC180318 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.167 OC(=O)C1=CC(Br)=CC=C1Cl AC511599 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.167 OC(=O)C1=CC(Br)=CC=C1I AC180644 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.167 OC(=O)C1=CC(Cl)=CC=C1F AC181071 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.167 OC(=O)C1=CC(Cl)=CC=C1O AC500101 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.167 OC(=O)C1=CC(I)=CC=C1Br AC180643 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.167 OC(=O)C1=CC(I)=CC=C1Cl AC180645 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.167 OC(=O)C1=CC(I)=CC=C1F AC500186 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.167 OC(=O)C1=NC(Cl)=CC=C1F AC512028 [0,2,0,0,0,0|1,0,0]=3 769 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)O LN00116557 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.74 CC(=O)C1=CC(=CC(=C1)F)F LN00117061 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 AC180640 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 AC310106 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.74 CC1=CC(=NC(Cl)=C1)C(O)=O AC512065 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.74 CC1=CC(Cl)=CC(=C1)C(O)=O AC182586 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.74 CC1=CC(F)=CC(=C1)C(O)=O AC181548 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.74 NC1=CC(=CC(O)=C1)C(O)=O AC180469 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.74 NC1=CC(Br)=CC(=C1)C(O)=O AC180910 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.74 OC(=O)C1=CC(Br)=CC(Cl)=C1 AC511869 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.74 OC(=O)C1=CC(Br)=CC(F)=C1 AC181255 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.74 OC(=O)C1=CC(Cl)=CC(Cl)=C1 AC180042 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.74 OC(=O)C1=CC(F)=CC(F)=C1 AC510561 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.74 OC(=O)C1=NC(Cl)=CC(Cl)=C1 AC512109 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N LN00180819 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.266 CC(=O)C1=CC(=CC=C1)C#N AC250032 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.266 COC1=CC(=NC=C1)C(O)=O AC511198 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.266 COC1=CC=CC(=C1)C(O)=O AC180043 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.266 COC1=CC=CC(=N1)C(=O)O LN00222703 [0,2,0,0,0,0|1,0,0]=3 788 B11R1.266 COC1=CC=CC(=N1)C(O)=O AC182063 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.266 CSC1=NC=CC(=N1)C(O)=O AC182479 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 AC200020 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.266 NCC1=CC(=CC=C1)C(O)=O AC170057 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.266 OC(=O)C1=CC(=CC=C1)C#N AC180040 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.266 OC(=O)C1=CC(C=O)=CC=C1 AC160494 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.266 OC(=O)C1=CC=CC(CBr)=C1 AC511772 [0,2,0,0,0,0|2,0,0]=4 795 B9R1.13 CC(=O)CC1=CC=CS1 LN00166067 [0,0,1,1,0,0|1,0,1]=4 796 B11R2.10 BrC1=CC2=C(C1)C=CC=C2 AC182055 [0,0,0,1,0,1|2,0,0]=4 797 B11R2.10 BrC1=CC2=C(N1)N=CC=C2 AC020302 [0,0,0,1,0,1|1,0,1]=4 798 B11R2.10 CC1=CC2=C(N1)C=CC=C2 AC511008 [0,0,0,1,0,1|2,0,0]=4 799 B11R2.10 CC1=CC2=C(N1)N=CC=C2 AC210034 [0,0,0,1,0,1|1,0,0]=3 800 B11R2.10 O=C1CC2=C(N1)C=CC=C2 AC021698 [0,0,0,1,0,1|1,0,0]=3 801 B11R2.10 O=C1CC2=C(O1)C=CC=C2 AC021054 [0,0,0,1,0,1|1,0,0]=3 802 B11R2.10 O=C1NC2=CC=CN=C2N1 AC181035 [0,0,0,1,0,1|1,0,0]=3 803 B11R2.1 CC1=CNC2=C1C=CC=C2 AC500066 [0,1,0,1,0,0|2,0,0]=4 804 B11R2.1 CC1=CSC2=CN=CN=C12 LN01365183 [0,1,0,1,0,0|1,1,0]=4 805 B11R2.1 CN1C=CC2=C1N=CC=C2 AC160370 [0,1,0,1,0,0|2,0,0]=4 806 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [0,1,0,1,0,0|1,0,0]=3 807 B11R2.1 O=C1CCC2=CC=CN=C12 AC182161 [0,1,0,1,0,0|0,0,0]=2 808 B11R2.1 O=C1CCC2=NC=CC=C12 AC511871 [0,1,0,1,0,0|2,0,0]=4 809 B11R2.1 O=C1COC2=C1C=CC=C2 AC130193 [0,1,0,1,0,0|1,0,0]=3 810 B11R2.1 O=C1CSC2=CC=CC=C12 AC182209 [0,1,0,1,0,0|1,0,0]=3 811 B11R2.1 O=C1NCC2=CC=CC=C12 AC511115 [0,1,0,1,0,0|1,0,0]=3 812 B11R2.1 OC1CCC2=CC=CN=C12 AC182162 [0,1,0,1,0,0|0,0,2]=4 813 B7R1.1 C1=CNC(=C1)C=O LN00008368 [1,0,0,0,1,0|0,0,1]=3 814 B7R1.1 C=CC1=NC=CN1 AC280004 [1,0,0,0,1,0|1,0,1]=4 815 B7R1.1 CNC1=NC=CO1 LN00002575 [1,0,0,0,1,0|2,0,0]=4 816 B7R1.1 CNC1=NOC=C1 LN00001263 [1,0,0,0,1,0|2,0,0]=4 817 B7R1.1 CNC1=NOC=C1 LN00002470 [1,0,0,0,1,0|2,0,0]=4 818 B7R1.1 COC1=CC=CS1 AC130135 [1,0,0,0,1,0|2,0,0]=4 819 B7R1.1 COC1=CSC=C1 AC511563 [1,0,0,0,1,0|2,0,0]=4 820 B7R1.1 O=CC1=CC=CN1 AC180090 [1,0,0,0,1,0|0,0,1]=3 821 B7R1.1 O=CC1=CC=CS1 AC511013 [1,0,0,0,1,0|1,0,0]=3 822 B7R1.1 O=CC1=CN=CO1 AC051098 [1,0,0,0,1,0|2,0,0]=4 823 B7R1.1 O=CC1=CN=CS1 AC181432 [1,0,0,0,1,0|2,0,0]=4 824 B7R1.1 O=CC1=CNC=C1 AC280042 [1,0,0,0,1,0|1,0,0]=3 825 B7R1.1 O=CC1=CNC=N1 AC180818 [1,0,0,0,1,0|1,0,0]=3 826 B7R1.1 O=CC1=CNN=C1 AC030123 [1,0,0,0,1,0|2,0,0]=4 827 B7R1.1 O=CC1=CSC=C1 AC180098 [1,0,0,0,1,0|1,0,0]=3 828 B7R1.1 O=CC1=CSC=N1 AC511667 [1,0,0,0,1,0|1,0,0]=3 829 B7R1.1 O=CC1=NC=CS1 AC180755 [1,0,0,0,1,0|1,0,0]=3 830 B7R1.1 O=CC1=NNC=C1 AC200098 [1,0,0,0,1,0|1,0,0]=3 831 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O LN02138687 [0,0,0,0,0,2|1,0,0]=3 832 B11R1.91 CC(=O)C#CC1=CC=CC=C1 AC270040 [0,0,0,0,0,2|1,0,0]=3 833 B11R1.91 NC(=O)OCC1=CC=CC=C1 AC511867 [0,0,0,0,0,2|2,0,0]=4 834 B11R1.91 OC(=O)C#CC1=CC=CC=C1 AC500012 [0,0,0,0,0,2|2,0,0]=4