0 B9R1.6 C1=CN=CC(=C1)B(O)O LN00004871 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.6 CC(=O)C1=CN=CC=N1 AC510694 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 CC(=O)C1=CN=CN=C1 AC050215 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(=O)C1=NC=CC=N1 AC182273 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CC(=O)C1=NC=NC=C1 LN00221164 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.6 CN(C)C1=CC=NC=C1 AC131272 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [0,0,0,0,0,0|1,0,2]=3 15 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 ClC(=O)C1=CN=CN=C1 AC160433 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.6 NC(=N)C1=CC=CN=C1 AC180531 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,0,0,0,0,0|1,0,0]=1 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|3,1,0]=4 22 B9R1.6 OB(O)C1=CC=CC=C1 AC130043 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 OB(O)C1=CN=CC=C1 AC181089 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.6 OB(O)C1=CN=CN=C1 AC130009 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.6 OC(=O)C1=CC=CN=C1 AC510862 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.6 OC(=O)C1=CC=CN=C1 HY-B0143 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.6 OC(=O)C1=CC=NN=C1 AC180268 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 OC(=O)C1=CN=CN=C1 AC020529 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 OC(=O)C1=NC=CC=C1 AC190264 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 OC(=O)C1=NC=CC=N1 AC181135 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.6 OC(=O)C1=NC=CN=C1 AC021096 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 OC(=O)C1=NC=NC=C1 AC180734 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.6 OC(=O)C1=NN=CC=C1 AC511154 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 [O-]C(=O)C1=NC=CN=N1 AC050612 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.2 BrCC1=CC=CN=C1 AC190295 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.2 C#CC1=CC=CN=C1 AC500275 [1,0,0,0,0,0|0,0,2]=3 37 B8R1.2 C#CC1=CN=CN=C1 AC512075 [1,0,0,0,0,0|1,0,2]=4 38 B8R1.2 CNC1=CN=CC=N1 LN00001826 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 CNC1=NC=CC=C1 AC500327 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 COC1=CC=NC=C1 AC510883 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 CSC1=CN=CC=N1 LN00220945 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.2 ClCC1=CC=CN=C1 AC190048 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.2 NCC1=CC=CN=C1 AC512081 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 NCC1=NC=CN=C1 AC511030 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 NNC1=CC=CN=C1 AC182314 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 O=CC1=CC=CN=C1 AC170118 [1,0,0,0,0,0|0,0,0]=1 47 B8R1.2 O=CC1=CC=NC=C1 AC180162 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 O=CC1=NC=CC=C1 AC500026 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [1,0,0,0,0,0|1,0,2]=4 50 B8R1.2 OCC1=CC=CN=C1 AC500154 [1,0,0,0,0,0|0,0,2]=3 51 B8R1.2 OCC1=CN=CN=C1 AC170027 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.2 ONC1=CC=CC=C1 AC500156 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.13 C1=CC(=NC=C1Br)C(=O)O LN00009289 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.13 C1=NC(=CN=C1C(=O)O)Br LN00171312 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.13 C1=NC(=CN=C1C(=O)O)N LN00159244 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 AC511499 [0,1,0,0,0,0|0,0,0]=1 57 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AC181609 [0,1,0,0,0,0|0,0,0]=1 59 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC182130 [0,1,0,0,0,0|0,0,0]=1 60 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [0,1,0,0,0,0|0,0,0]=1 63 B10R1.13 CC(=O)C1=CN=C(C=C1)Br LN00170457 [0,1,0,0,0,0|0,0,0]=1 64 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 AC181883 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [0,1,0,0,0,0|0,0,2]=3 66 B10R1.13 CC1=CC=C(C=C1)C(O)=O AC190159 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.13 CC1=CC=C(C=C1)S([O-])=O AC510965 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.13 CC1=CN=C(C=C1)C(O)=O AC181304 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.13 CC1=NC=C(C=C1)B(O)O AC190074 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.13 CC1=NC=C(C=C1)[N+]([O-])=O AC181800 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.13 CC1=NC=C(C=N1)C(=O)O LN00156992 [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](N)C1=CC=C(Br)C=C1 AC020028 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.13 NC(=N)C1=CC=C(Br)C=C1 AC181036 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.13 NC(=N)C1=CC=C(Cl)C=C1 AC180714 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.13 NC(=N)C1=CC=C(N)C=C1 AC511622 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AC190321 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.13 NC(=O)C1=CC=C(F)C=C1 AC511804 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 AC182570 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 AC180441 [0,1,0,0,0,0|2,1,0]=4 88 B10R1.13 NC1=CC=C(C=C1)C(O)=O HY-B1008 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.13 NC1=CC=C(N=C1)C(O)=O AC181509 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.13 NC1=NC=C(C=N1)C(O)=O AC181924 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.13 NC1=NC=C(C=N1)[N+]([O-])=O AC180133 [0,1,0,0,0,0|3,0,0]=4 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 OB(O)C1=CC=C(F)N=C1 AC130003 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.13 OB(O)C1=CC=C(O)N=C1 AC190026 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.13 OC(=O)C1=CC=C(Br)C=N1 AC180939 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AC181373 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.13 OC(=O)C1=CC=C(Cl)N=C1 AC180144 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.13 OC(=O)C1=CC=C(F)N=C1 AC512097 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.13 OC(=O)C1=CC=C(I)C=C1 AC510881 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.13 OC(=O)C1=CC=C(O)C=C1 AC190218 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.13 OC(=O)C1=CC=C(O)C=N1 AC181066 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 OC(=O)C1=CC=C(O)N=C1 AC180148 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 OC(=O)C1=NC=C(Cl)C=C1 AC510981 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 OC(=O)C1=NC=C(F)C=C1 AC181804 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.13 OC(=O)C1=NC=C(O)N=C1 HY-76210 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 OC(=O)C1=NN=C(Cl)C=C1 AC511081 [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=CN=C(Br)C=C1 AC130898 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.13 [O-][N+](=O)C1=CN=C(Cl)C=C1 AC511702 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.13 [O-][N+](=O)C1=CN=C(Cl)N=C1 AC070121 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 [O-][N+](=O)C1=CN=C(F)C=C1 AC181569 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.15 BrCC(=O)C1=CC=NC=C1 AC190075 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.15 BrCC(=O)C1=NC=CC=C1 AC190303 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.15 C/C(=N\O)C1=CC=CN=C1 AC170016 [0,1,0,0,0,0|0,0,1]=2 116 B10R1.15 C1=CC(=NC=C1)C(=O)CBr LN00004265 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [0,1,0,0,0,0|1,0,2]=4 119 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|0,0,0]=1 123 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|1,0,0]=2 125 B10R1.15 COC(=O)C1=CN=CN=C1 AC050514 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.15 COC(=O)C1=NC=CC=N1 AC021481 [0,1,0,0,0,0|3,0,0]=4 127 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 CC(C)(N)C1=CC=CN=C1 AC182353 [0,1,0,0,0,0|1,0,1]=3 136 B10R1.28 ClS(=O)(=O)C1=CC=CC=C1 AC190208 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.28 ClS(=O)(=O)C1=CC=CN=C1 AC511042 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.28 FC(F)(F)C1=CC=CN=C1 AC220128 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.28 OS(=O)(=O)C1=CC=CC=C1 AC190167 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.61 C1=C(C(=CN=C1)Br)C(=O)O LN00009298 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.61 C1=CC(=C(C(=O)O)N=C1)F LN00173629 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.61 C1=CC(=C(F)N=C1)[N+](=O)[O-] LN00011353 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.61 C1=CC(=C(N)N=C1)[N+](=O)[O-] LN00010635 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.61 C1=CC=C(C(=C1)C(=N)O)Br LN00236317 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.61 C1=CC=C(C(=C1)C(=N)O)I LN00200183 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.61 C1=NC(=C(Cl)N=C1)C(=O)O LN00009177 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.61 C1=NC(=C(N=C1)O)C(=O)N LN00227281 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.61 CC(=O)C1=CC=CC=C1Br AC511597 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.61 CC(=O)C1=CC=CC=C1Cl AC500259 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.61 CC(=O)C1=CC=CC=C1I LN00159959 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.61 CC(=O)C1=CC=CC=C1N AC180212 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.61 CC(=O)C1=CC=CC=C1O AC510427 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.61 CC(=O)C1=CC=CN=C1Cl AC181741 [0,1,0,0,0,0|0,0,0]=1 154 B10R1.61 CC(C)C1=C(N)N=CC=C1 AC010483 [0,1,0,0,0,0|1,0,1]=3 155 B10R1.61 CC1=C(C=CC=C1)C(O)=O AC511474 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.61 CC1=C(C=CC=N1)[N+]([O-])=O AC181797 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.61 CC1=C(C=CN=C1)C(O)=O AC270034 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.61 CC1=CC=CN=C1C(O)=O AC180861 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.61 CC1=CC=NC=C1C(O)=O AC180723 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.61 CC1=CC=NC=C1[N+]([O-])=O AC180510 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.61 CC1=NC=CC=C1C(O)=O AC180300 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.61 CC1=NC=CN=C1C(O)=O AC182348 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.61 CC1=NC=NC=C1C(O)=O AC050390 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.61 CC1=NN=CC=C1C(O)=O AC050718 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.61 CN(C)C1=CC=CC=C1N AC511923 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [0,1,0,0,0,0|1,0,2]=4 167 B10R1.61 C[C@H](C1=CC=CC=C1Br)N LN02156247 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.61 C[C@H](N)C1=CC=CC=C1F AC181536 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [0,1,0,0,0,0|1,0,2]=4 170 B10R1.61 C[C@H](O)C1=CC=CN=C1N AC020958 [0,1,0,0,0,0|0,0,2]=3 171 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 AC182435 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.61 NC(=O)C1=C(N)C=CC=C1 AC190185 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.61 NC(=O)C1=C(N)C=NC=C1 AC511944 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.61 NC(=O)C1=CC=CC=C1I AC190079 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.61 NC(=O)C1=CC=CN=C1N AC180726 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.61 NC(=O)C1=NC=CC=C1N AC181996 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.61 NC(=O)C1=NC=CN=C1Cl AC182491 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.61 NC(=O)C1=NC=CN=C1[O-] AC021296 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.61 NC1=C(C=CN=C1)C(O)=O AC180749 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.61 NC1=C(C=NC=C1)C(O)=O AC180942 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.61 NC1=C(C=NC=C1)[N+]([O-])=O AC180807 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.61 NC1=CC=CN=C1C(O)=O AC180670 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.61 NC1=NC=CC=C1C(O)=O AC510818 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.61 NC1=NC=CC=C1[N+]([O-])=O AC180153 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.61 NC1=NN=CC=C1C(O)=O AC181217 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.61 OB(O)C1=C(F)N=CC=C1 AC130013 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.61 OB(O)C1=CC=CN=C1Cl AC090149 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.61 OC(=O)C1=C(Br)C=CC=C1 AC510993 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.61 OC(=O)C1=C(Br)N=CC=C1 AC130049 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.61 OC(=O)C1=C(Cl)C=NC=C1 AC181556 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.61 OC(=O)C1=C(F)C=NC=C1 AC160422 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.61 OC(=O)C1=C(I)C=CC=C1 AC180035 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.61 OC(=O)C1=CC=CC=C1O HY-B0167 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.61 OC(=O)C1=CC=CN=C1Cl AC511646 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.61 OC(=O)C1=CC=CN=C1F AC130164 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.61 OC(=O)C1=CC=NC=C1Br AC180440 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.61 OC(=O)C1=CC=NC=C1O AC170008 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.61 OC(=O)C1=CC=NNC1=O AC181972 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.61 OC(=O)C1=CN=CC=C1Cl AC180720 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.61 OC(=O)C1=NC=CC=C1Br AC181228 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 OC(=O)C1=NC=CC=C1Cl AC181291 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 OC(=O)C1=NC=CC=C1F AC181795 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.61 OC(=O)C1=NC=CC=C1O AC180151 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 OC(=O)C1=NC=CN=C1Br AC512171 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.61 OC(=O)C1=NC=CN=C1Cl AC210043 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.61 OC1=C(C=NC=C1)[N+]([O-])=O AC180727 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 OC1=CC=CC=C1C([O-])=O HY-B0167A [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 [O-][N+](=O)C1=C(F)N=CC=C1 AC181572 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 [O-][N+](=O)C1=CC=CN=C1Cl AC510833 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.61 [O-][N+](=O)C1=CN=CC=C1Cl AC500191 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.113 C1=C(C=NC=C1C(=O)O)Cl LN00003135 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)O LN00009301 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.113 C1=CC(=NC(=C1)F)C(=O)O LN00009991 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AC020983 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.113 CC(=O)C1=CC=CC(=N1)Br LN00004057 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 AC500258 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.113 CC(=O)C1=CC=CC(F)=C1 AC180005 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 AC511684 [0,1,0,0,0,0|0,0,0]=1 219 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 AC180989 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.113 CC(=O)C1=NC(C)=CC=C1 AC181994 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.113 CC(C1=CC(=CC=C1)Br)N LN01347982 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.113 CC(N)C1=CC(O)=CC=C1 AC020799 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC021480 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC182169 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.113 CC1=CC(=CC=N1)C(=O)O LN00011005 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.113 CC1=CC(=CN=C1)C(O)=O AC181129 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.113 CC1=CC=CC(=N1)C(O)=O AC180370 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.113 CC1=CN=CC(=C1)B(O)O AC181676 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.113 CC1=CN=CC(=N1)C(O)=O AC182346 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.113 CC1=NC(=CN=C1)C(=O)O LN00010207 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.113 CC1=NC=CC(=C1)C(O)=O AC510752 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.113 CN(C)C1=CC=CC(O)=C1 AC190067 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.113 CN(C)C1=NC(Cl)=CN=C1 AC512180 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AC511565 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 AC020029 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.113 NC(=N)C1=CC=CC(Br)=C1 AC181813 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.113 NC(=O)C1=CC(N)=CN=C1 AC182383 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.113 NC(=O)C1=CC=CC(N)=C1 HY-12022 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 HY-101407 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 AC181190 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.113 NC1=CC(=CC=N1)C(O)=O AC180915 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.113 NC1=CC(=CN=C1)[N+]([O-])=O AC170005 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.113 NC1=CC=CC(=N1)C(O)=O AC180914 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.113 NC1=CN=CC(=C1)C(O)=O AC180732 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.113 NC1=CN=CC(=N1)C(O)=O AC182576 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.113 OB(O)C1=CC(Cl)=CN=C1 AC090234 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.113 OB(O)C1=CC(F)=CN=C1 AC050683 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.113 OC(=O)C1=CC(=O)NC=C1 AC181219 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.113 OC(=O)C1=CC(Cl)=CC=N1 AC180860 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AC511765 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.113 OC(=O)C1=CC(F)=CN=C1 AC511690 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AC181447 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.113 OC(=O)C1=CC(I)=NC=C1 AC190088 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.113 OC(=O)C1=CC(O)=CC=C1 AC190160 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.113 OC(=O)C1=CC=CC(=O)N1 AC180866 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.113 OC(=O)C1=CC=NC(Br)=C1 AC181281 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.113 OC(=O)C1=CN(=O)=CC=C1 HY-B1061 [0,1,0,0,0,0|1,0,1]=3 258 B10R1.113 OC(=O)C1=CN=CC(Cl)=C1 AC180728 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.113 OC(=O)C1=CN=CC(O)=C1 AC500286 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AC510356 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.113 OC(=O)C1=NC(Cl)=CC=C1 AC180794 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.113 OC(=O)C1=NC=CC(Br)=C1 AC511849 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.113 OC(=O)C1=NC=CC(O)=C1 AC181051 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.113 [O-][N+](=O)C1=CN=CC(Br)=C1 AC181806 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.113 [O-][N+](=O)C1=CN=CC(Cl)=C1 AC181807 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.7 C1=C(C(=O)O)SN=C1 LN01368400 [0,0,0,0,1,0|2,0,0]=3 267 B8R1.7 C1=COC(=N1)C(=O)N LN02009510 [0,0,0,0,1,0|2,0,0]=3 268 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [0,0,0,0,1,0|1,0,0]=2 269 B8R1.7 CC(=O)C1=CSC=C1 AC500077 [0,0,0,0,1,0|1,0,0]=2 270 B8R1.7 CC(=O)C1=NC=CN1 AC210047 [0,0,0,0,1,0|1,0,0]=2 271 B8R1.7 CC(=O)C1=NC=CS1 AC510705 [0,0,0,0,1,0|1,0,0]=2 272 B8R1.7 CC(=O)C1=NCCS1 AC180880 [0,0,0,0,1,0|1,0,2]=4 273 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [0,0,0,0,1,0|2,0,1]=4 274 B8R1.7 CC(C)C1=NC=CN1 AC130259 [0,0,0,0,1,0|2,0,1]=4 275 B8R1.7 CC(C)N1C=CC=N1 AC130056 [0,0,0,0,1,0|2,0,1]=4 276 B8R1.7 CC(N)C1=NC=CS1 AC182658 [0,0,0,0,1,0|2,0,1]=4 277 B8R1.7 ClC(=O)C1=CC=CN1 AC180091 [0,0,0,0,1,0|1,0,1]=3 278 B8R1.7 NC(=N)C1=NC=CS1 AC182779 [0,0,0,0,1,0|3,0,0]=4 279 B8R1.7 NC(=O)C1=COC=N1 AC182643 [0,0,0,0,1,0|2,0,0]=3 280 B8R1.7 OC(=O)C1=CC=CO1 AC510992 [0,0,0,0,1,0|2,0,0]=3 281 B8R1.7 OC(=O)C1=CC=NO1 AC050948 [0,0,0,0,1,0|2,0,0]=3 282 B8R1.7 OC(=O)C1=CN=CO1 AC500181 [0,0,0,0,1,0|2,0,0]=3 283 B8R1.7 OC(=O)C1=CN=CS1 AC181678 [0,0,0,0,1,0|2,0,0]=3 284 B8R1.7 OC(=O)C1=CNC=C1 AC181119 [0,0,0,0,1,0|1,0,1]=3 285 B8R1.7 OC(=O)C1=CNC=N1 AC511460 [0,0,0,0,1,0|2,0,0]=3 286 B8R1.7 OC(=O)C1=CNN=C1 AC180266 [0,0,0,0,1,0|2,0,0]=3 287 B8R1.7 OC(=O)C1=COC=N1 AC510698 [0,0,0,0,1,0|2,0,0]=3 288 B8R1.7 OC(=O)C1=CSC=C1 AC310080 [0,0,0,0,1,0|2,0,0]=3 289 B8R1.7 OC(=O)C1=CSC=N1 AC360006 [0,0,0,0,1,0|2,0,0]=3 290 B8R1.7 OC(=O)C1=NC=CN1 AC180986 [0,0,0,0,1,0|2,0,0]=3 291 B8R1.7 OC(=O)C1=NC=CS1 AC510654 [0,0,0,0,1,0|2,0,0]=3 292 B8R1.7 OC(=O)C1=NNC=C1 AC180630 [0,0,0,0,1,0|2,0,0]=3 293 B8R1.7 OC(=O)C1=NON=C1 AC190011 [0,0,0,0,1,0|3,0,0]=4 294 B8R1.7 [O-]C(=O)C1=CC=CS1 AC030126 [0,0,0,0,1,0|2,0,0]=3 295 B8R1.7 [O-][N+](=O)C1=CC=NN1 AC180801 [0,0,0,0,1,0|3,0,0]=4 296 B8R1.7 [O-][N+](=O)C1=CNC=C1 AC511749 [0,0,0,0,1,0|2,0,1]=4 297 B8R1.7 [O-][N+](=O)C1=CNN=C1 AC180802 [0,0,0,0,1,0|3,0,0]=4 298 B8R1.7 [O-][N+](=O)C1=NC=CN1 AC180088 [0,0,0,0,1,0|3,0,0]=4 299 B10R1.18 C1=C(C=CN=C1)CC(=O)O LN00224216 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [0,0,0,0,0,1|2,0,1]=4 301 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [0,0,0,0,0,1|2,0,0]=3 302 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [0,0,0,0,0,1|2,0,0]=3 303 B10R1.18 ClC(=S)OC1=CC=CC=C1 AC500117 [0,0,0,0,0,1|2,1,0]=4 304 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [0,0,0,0,0,1|2,0,0]=3 305 B10R1.18 OC(=O)CC1=CC=CN=C1 AC290044 [0,0,0,0,0,1|1,0,0]=2 306 B10R1.18 OC(=O)CC1=CC=NC=C1 AC180287 [0,0,0,0,0,1|3,0,0]=4 307 B7R1.3 BrC1=CC=CN=N1 AC190121 [2,0,0,0,0,0|2,0,0]=4 308 B7R1.3 BrC1=CC=CN=N1 AC310137 [2,0,0,0,0,0|2,0,0]=4 309 B7R1.3 BrC1=CN=CN=C1 AC510781 [2,0,0,0,0,0|2,0,0]=4 310 B7R1.3 BrC1=NC=CN=C1 AC510840 [2,0,0,0,0,0|2,0,0]=4 311 B7R1.3 C1=NC=NC=C1O LN00004994 [2,0,0,0,0,0|1,0,1]=4 312 B7R1.3 CC1=CC=CN=N1 AC510670 [2,0,0,0,0,0|1,0,0]=3 313 B7R1.3 CC1=CN=CN=C1 AC050446 [2,0,0,0,0,0|1,0,0]=3 314 B7R1.3 ClC1=CC=CN=C1 AC510157 [2,0,0,0,0,0|1,0,0]=3 315 B7R1.3 ClC1=NC=CN=C1 AC500205 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.3 FC1=CC=CN=C1 AC510740 [2,0,0,0,0,0|1,0,0]=3 317 B7R1.3 IC1=CC=CC=C1 AC130763 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.3 IC1=CC=CN=C1 AC180371 [2,0,0,0,0,0|1,0,0]=3 319 B7R1.3 IC1=NC=CN=C1 AC511853 [2,0,0,0,0,0|2,0,0]=4 320 B7R1.3 NC1=CC=NN=C1 AC510688 [2,0,0,0,0,0|2,0,0]=4 321 B7R1.3 NC1=CN=CN=C1 AC181240 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.3 NC1=NC=CN=C1 AC180138 [2,0,0,0,0,0|2,0,0]=4 323 B7R1.3 NC1=NN=CC=C1 AC181239 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.3 O=C1NN=CC=C1 AC180688 [2,0,0,0,0,0|1,0,0]=3 325 B9R1.1 BC1=CC=C(OC)C=C1 AC090165 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.1 BrC1=CC=C(C=C)C=C1 AC500252 [1,1,0,0,0,0|1,0,1]=4 327 B9R1.1 BrC1=CC=C(C=O)C=C1 AC130129 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.1 BrC1=CC=C(C=O)C=N1 AC181833 [1,1,0,0,0,0|0,0,0]=2 329 B9R1.1 BrC1=CC=C(C=O)N=C1 AC181786 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.1 BrC1=NC=C(C=C1)C#N AC220163 [1,1,0,0,0,0|1,0,1]=4 331 B9R1.1 C1=CC(=NC=C1C#N)Cl LN00008659 [1,1,0,0,0,0|1,0,1]=4 332 B9R1.1 CC1=CC=C(C=O)C=C1 AC131766 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.1 CC1=CC=C(C=O)C=N1 AC100063 [1,1,0,0,0,0|0,0,0]=2 334 B9R1.1 CC1=CC=C(C=O)N=C1 AC511100 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.1 CC1=CC=C(CO)C=N1 AC100103 [1,1,0,0,0,0|0,0,2]=4 336 B9R1.1 CC1=NC=C(C=O)C=N1 AC190110 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.1 CC1=NC=C(CBr)C=C1 AC190124 [1,1,0,0,0,0|1,0,1]=4 338 B9R1.1 CNC1=NN=C(Cl)C=C1 AC181410 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.1 COC1=CC=C(Cl)N=N1 AC130198 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.1 COC1=CC=C(I)C=C1 AC190049 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.1 COC1=CC=C(N)N=C1 AC182126 [1,1,0,0,0,0|1,0,0]=3 342 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.1 COC1=CC=C(S)C=C1 AC130236 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.1 COC1=CN=C(Cl)C=C1 AC511217 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.1 COC1=CN=C(Cl)N=C1 AC182336 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.1 COC1=CN=C(N)C=N1 AC512160 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.1 COC1=CN=C(N)N=C1 AC050315 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.1 COC1=CNC(=N)C=C1 LN00175109 [1,1,0,0,0,0|1,0,1]=4 349 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.1 CSC1=CN=C(N)C=C1 AC100050 [1,1,0,0,0,0|1,0,0]=3 351 B9R1.1 ClC1=CC=C(C=N1)C#N AC511664 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.1 ClC1=CC=C(C=O)C=N1 AC020051 [1,1,0,0,0,0|0,0,0]=2 353 B9R1.1 ClC1=CN=C(C=O)C=C1 AC182265 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.1 FC1=CC=C(C=N1)C#N AC182405 [1,1,0,0,0,0|1,0,1]=4 355 B9R1.1 FC1=CC=C(C=O)C=C1 AC131767 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.1 FC1=CN=C(C=O)C=C1 AC511176 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.1 FC1=NC=C(C=O)C=C1 AC511039 [1,1,0,0,0,0|0,0,0]=2 358 B9R1.1 IC1=CC=C(C=O)C=C1 AC180421 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.1 NC1=NC=C(C=C1)C#N AC500059 [1,1,0,0,0,0|1,0,1]=4 360 B9R1.1 NC1=NC=C(C=O)C=N1 AC511477 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.1 NCC1=CN=C(Cl)C=C1 AC511011 [1,1,0,0,0,0|1,0,1]=4 362 B9R1.1 OC1=CC=C(C=O)C=C1 AC130039 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.1 OC1=CC=C(C=O)C=N1 AC511193 [1,1,0,0,0,0|0,0,0]=2 364 B9R1.1 OC1=CN=C(C=O)C=C1 AC511243 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 OCC1=CC=C(Cl)N=C1 AC181178 [1,1,0,0,0,0|0,0,2]=4 366 B9R1.2 BrC1=CC(C=O)=NC=C1 AC511173 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.2 BrC1=CC=CC(C=O)=C1 AC500300 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.2 BrC1=CC=CC(C=O)=N1 AC181501 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.2 BrC1=CN=CC(=C1)C#N AC180833 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.2 BrC1=CN=CC(C=O)=C1 AC181606 [1,1,0,0,0,0|0,0,0]=2 371 B9R1.2 C1=CC(=NC(=C1)Br)C=O LN00008017 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.2 C1=CNC(=O)C=C1C=O LN00003854 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.2 CC1=CC(C=O)=NC=C1 AC510820 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.2 CC1=CC=CC(C=O)=N1 AC510632 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.2 CC1=NC=CC(C=O)=C1 AC181964 [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|2,0,0]=4 377 B9R1.2 COC1=CC(Br)=CN=C1 AC510801 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.2 COC1=CC=CC(N)=C1 AC130321 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.2 COC1=CC=CC(O)=C1 AC130088 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.2 COC1=CN=CC(N)=C1 AC182431 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.2 CSC1=CC(N)=CC=C1 AC500237 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.2 ClC1=CC(C=O)=CC=C1 AC511323 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.2 ClC1=CC(C=O)=NC=C1 AC182139 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.2 ClC1=NC=CC(C=O)=C1 AC511448 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.2 FC1=CC(C=O)=CC=C1 AC511704 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.2 FC1=CC(C=O)=CN=C1 AC512032 [1,1,0,0,0,0|0,0,0]=2 387 B9R1.2 FC1=NC(C=O)=CC=C1 AC181585 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.2 IC1=CC(C=O)=CC=C1 AC511778 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.2 NC1=CC(=CN=C1)C#N AC182083 [1,1,0,0,0,0|1,0,1]=4 390 B9R1.2 OC1=CC=CC(C=O)=C1 AC130074 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.2 OCC1=CC(Br)=CN=C1 AC500329 [1,1,0,0,0,0|0,0,2]=4 392 B9R1.8 CNCC1=CC=CC=C1 AC500163 [1,1,0,0,0,0|1,0,1]=4 393 B9R1.8 NCCC1=CC=CN=C1 AC500060 [1,1,0,0,0,0|0,0,1]=3 394 B9R1.8 OCCC1=NC=CN=C1 AC051081 [1,1,0,0,0,0|1,0,1]=4 395 B9R1.15 BrC1=C(C=O)C=CC=C1 AC190053 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.15 BrC1=C(C=O)C=CN=C1 AC511781 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.15 BrC1=CC=NC=C1C=O AC290066 [1,1,0,0,0,0|0,0,0]=2 398 B9R1.15 BrC1=NC=CC=C1C#N AC511835 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.15 BrC1=NC=CC=C1C=O AC130168 [1,1,0,0,0,0|0,0,0]=2 400 B9R1.15 C1=CC(=C(C=O)N=C1)O LN00121425 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.15 C1=CC(=C(N)N=C1)C#N LN00002641 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.15 CC1=C(C=NC=C1)C#N AC180944 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.15 CC1=CC=CC=C1C=O AC511038 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.15 CC1=CC=CN=C1C=O AC181444 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.15 CC1=NC=CC=C1CO LN00004952 [1,1,0,0,0,0|0,0,2]=4 406 B9R1.15 CCC1=CC=CC=C1Br AC500247 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.15 CNC1=C(O)C=CC=C1 AC512071 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.15 CNC1=CC=CC=C1N AC511708 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.15 CNC1=CC=CC=C1N LN01309502 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.15 COC1=C(Br)C=CC=C1 AC510848 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.15 COC1=C(I)C=CC=C1 AC510814 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.15 COC1=CC=CC=C1O AC190186 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.15 COC1=CC=CN=C1Br AC500269 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.15 COC1=CC=CN=C1Cl AC181653 [1,1,0,0,0,0|1,0,0]=3 415 B9R1.15 COC1=CC=CN=C1N AC511905 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.15 COC1=CN=CN=C1N AC511956 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.15 COC1=NC=CN=C1Cl AC512133 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.15 ClC1=C(C=O)C=CN=C1 AC510941 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.15 ClC1=CC=CC=C1C=O AC190062 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.15 ClC1=CC=CN=C1C=O AC511242 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.15 ClC1=NC=CC=C1C#N AC190188 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.15 FC1=CC=CC=C1C=O AC510338 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.15 FC1=CC=CN=C1C=O AC100101 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.15 FC1=NC=CC=C1C#N AC181577 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.15 FC1=NC=CC=C1C=O AC512030 [1,1,0,0,0,0|0,0,0]=2 426 B9R1.15 NC1=C(C=O)C=CC=C1 AC510813 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.15 NC1=C(CO)C=CC=N1 AC181888 [1,1,0,0,0,0|0,0,2]=4 428 B9R1.15 NC1=NC=CC=C1C#C AC270033 [1,1,0,0,0,0|0,0,2]=4 429 B9R1.15 NC1=NC=CC=C1C#N AC180722 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.15 NC1=NC=CC=C1C=O AC020960 [1,1,0,0,0,0|0,0,0]=2 431 B9R1.15 O=CC1=CC=CNC1=O AC182145 [1,1,0,0,0,0|0,0,1]=3 432 B9R1.15 OC1=C(C=O)C=CC=C1 AC190207 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.15 OC1=C(C=O)C=CN=C1 AC511223 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.15 OC1=CC=CN=C1C=O AC270030 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 OCC1=CC=CN=C1Cl AC181378 [1,1,0,0,0,0|0,0,2]=4 436 B9R1.15 OCC1=CC=CN=C1F AC181533 [1,1,0,0,0,0|0,0,2]=4 437 B9R1.11 BrCC(=O)C1=NC=CS1 AC040123 [0,1,0,0,1,0|1,0,0]=3 438 B9R1.11 CNC(=O)C1=CNN=C1 AC030124 [0,1,0,0,1,0|1,0,0]=3 439 B9R1.11 COC(=O)C1=CC=CN1 AC511475 [0,1,0,0,1,0|0,0,1]=3 440 B9R1.11 COC(=O)C1=CC=CS1 LN00186303 [0,1,0,0,1,0|1,0,0]=3 441 B9R1.11 COC(=O)C1=CN=CN1 AC180901 [0,1,0,0,1,0|1,0,0]=3 442 B9R1.11 COC(=O)C1=CN=CN1 LN00009425 [0,1,0,0,1,0|1,0,0]=3 443 B9R1.11 COC(=O)C1=CN=CS1 AC021342 [0,1,0,0,1,0|1,0,0]=3 444 B9R1.11 COC(=O)C1=CNC=C1 AC511033 [0,1,0,0,1,0|0,0,1]=3 445 B9R1.11 COC(=O)C1=COC=N1 AC050400 [0,1,0,0,1,0|1,0,0]=3 446 B9R1.11 COC(=O)C1=CSC=C1 AC500266 [0,1,0,0,1,0|1,0,0]=3 447 B9R1.11 COC(=O)C1=CSC=N1 AC181967 [0,1,0,0,1,0|1,0,0]=3 448 B9R1.11 COC(=O)C1=NC=CN1 AC131054 [0,1,0,0,1,0|1,0,0]=3 449 B9R1.11 COC(=O)C1=NNC=C1 AC510661 [0,1,0,0,1,0|1,0,0]=3 450 B9R1.11 COC(=O)C1=NNC=N1 AC511711 [0,1,0,0,1,0|2,0,0]=4 451 B9R1.11 NNC(=O)C1=CC=CO1 AC021398 [0,1,0,0,1,0|2,0,0]=4 452 B9R1.35 C1=C(C(=O)O)SC(=C1)Br LN00009121 [0,1,0,0,1,0|2,0,0]=4 453 B9R1.35 CC(=O)C1=CC=C(C)S1 AC180308 [0,1,0,0,1,0|1,0,0]=3 454 B9R1.35 CC1=CC(=NO1)C(O)=O AC500307 [0,1,0,0,1,0|2,0,0]=4 455 B9R1.35 CC1=CC=C(O1)C(O)=O AC180680 [0,1,0,0,1,0|2,0,0]=4 456 B9R1.35 CC1=CC=C(S1)C(O)=O AC511071 [0,1,0,0,1,0|2,0,0]=4 457 B9R1.35 CC1=NC=C(C(=O)O)O1 LN00214770 [0,1,0,0,1,0|2,0,0]=4 458 B9R1.35 CC1=NC=C(S1)C(O)=O AC181314 [0,1,0,0,1,0|2,0,0]=4 459 B9R1.35 CC1=NNC(=C1)C(O)=O AC190259 [0,1,0,0,1,0|2,0,0]=4 460 B9R1.35 CN1C=C(C=N1)C(C)=O AC511894 [0,1,0,0,1,0|1,0,0]=3 461 B9R1.35 CN1C=CC(=C1)C(O)=O AC182631 [0,1,0,0,1,0|1,0,1]=4 462 B9R1.35 CN1C=CC(=N1)C(O)=O AC181030 [0,1,0,0,1,0|2,0,0]=4 463 B9R1.35 CN1C=NC(=C1)C(O)=O AC181435 [0,1,0,0,1,0|2,0,0]=4 464 B9R1.35 ClC(=O)C1=CC=C(Cl)S1 AC180470 [0,1,0,0,1,0|2,0,0]=4 465 B9R1.35 NC1=NC=C(S1)C(O)=O AC181939 [0,1,0,0,1,0|2,0,0]=4 466 B9R1.35 OC(=O)C1=CC(Br)=CS1 AC181641 [0,1,0,0,1,0|2,0,0]=4 467 B9R1.35 OC(=O)C1=CC=C(Br)O1 AC130080 [0,1,0,0,1,0|2,0,0]=4 468 B9R1.35 OC(=O)C1=CC=C(Br)S1 AC020591 [0,1,0,0,1,0|2,0,0]=4 469 B9R1.35 OC(=O)C1=CC=C(Cl)O1 AC511241 [0,1,0,0,1,0|2,0,0]=4 470 B9R1.35 OC(=O)C1=CC=C(Cl)S1 AC021211 [0,1,0,0,1,0|2,0,0]=4 471 B9R1.35 OC(=O)C1=CN=C(Br)S1 AC511727 [0,1,0,0,1,0|2,0,0]=4 472 B9R1.35 OC(=O)C1=CSC(Br)=C1 AC051032 [0,1,0,0,1,0|2,0,0]=4 473 B9R1.35 OC(=O)C1=CSC(Br)=N1 AC181839 [0,1,0,0,1,0|2,0,0]=4 474 B9R1.35 OC(=O)C1=NNC(Cl)=C1 AC182427 [0,1,0,0,1,0|2,0,0]=4 475 B9R1.41 C1=NC(=C(N)S1)C(=O)N LN00337314 [0,1,0,0,1,0|2,0,0]=4 476 B9R1.41 C1=NSC(=C1Cl)C(=O)O LN01263820 [0,1,0,0,1,0|2,0,0]=4 477 B9R1.41 CC(=O)C1=CNC=C1C AC330027 [0,1,0,0,1,0|0,0,1]=3 478 B9R1.41 CC1=C(C(=O)O)NC=C1 LN01237182 [0,1,0,0,1,0|1,0,1]=4 479 B9R1.41 CC1=C(OC=N1)C(O)=O AC511624 [0,1,0,0,1,0|2,0,0]=4 480 B9R1.41 CC1=NNC=C1C(O)=O AC181056 [0,1,0,0,1,0|2,0,0]=4 481 B9R1.41 CC1=NOC=C1C(O)=O AC181215 [0,1,0,0,1,0|2,0,0]=4 482 B9R1.41 CN1C=CC=C1C(=O)O LN00149766 [0,1,0,0,1,0|1,0,1]=4 483 B9R1.41 CN1C=CN=C1C(C)=O AC511919 [0,1,0,0,1,0|1,0,0]=3 484 B9R1.41 CN1C=CN=C1C(O)=O AC511055 [0,1,0,0,1,0|2,0,0]=4 485 B9R1.41 CN1C=NC=C1C(=O)O LN00003167 [0,1,0,0,1,0|2,0,0]=4 486 B9R1.41 CN1C=NC=C1C(O)=O AC181144 [0,1,0,0,1,0|2,0,0]=4 487 B9R1.41 CN1N=CC=C1C(O)=O AC181029 [0,1,0,0,1,0|2,0,0]=4 488 B9R1.41 NC(=O)C1=C(N)N=CN1 AC510939 [0,1,0,0,1,0|2,0,0]=4 489 B9R1.41 NC(=O)C1=C(N)SC=C1 AC511070 [0,1,0,0,1,0|2,0,0]=4 490 B9R1.41 NC(=O)C1=C(N)SC=N1 AC182669 [0,1,0,0,1,0|2,0,0]=4 491 B9R1.41 NN1C=CC=C1C(N)=O AC182612 [0,1,0,0,1,0|1,0,1]=4 492 B9R1.41 OC(=O)C1=C(Br)SC=C1 AC100025 [0,1,0,0,1,0|2,0,0]=4 493 B9R1.41 OC(=O)C1=C(F)C=CS1 AC181662 [0,1,0,0,1,0|2,0,0]=4 494 B9R1.41 OC(=O)C1=CSC=C1Br AC050399 [0,1,0,0,1,0|2,0,0]=4 495 B9R1.41 OC(=O)C1=NNC=C1Br AC181234 [0,1,0,0,1,0|2,0,0]=4 496 B11R1.20 CC(=NC1=CC=C(C=C1)I)O LN01092551 [0,1,0,0,0,1|1,0,1]=4 497 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 AC180006 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 AC190309 [0,1,0,0,0,1|1,0,0]=3 499 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HY-66005 [0,1,0,0,0,1|1,0,0]=3 500 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 AC021568 [0,1,0,0,0,1|1,0,0]=3 501 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 AC020469 [0,1,0,0,0,1|1,0,0]=3 502 B11R1.20 NC1=CC=C(CC(O)=O)C=C1 AC500183 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AC130091 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.20 OC(=O)CC1=CC=C(F)C=C1 AC180075 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.20 OC(=O)CC1=CC=C(I)C=C1 AC180656 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AC130027 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.20 OC(=O)CC1=CC=C(S)C=C1 AC130028 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.20 OC(=O)CC1=CN=C(Cl)C=C1 AC130212 [0,1,0,0,0,1|1,0,0]=3 509 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 AC510790 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.36 C[C@@H](C(O)=O)C1=CC=CC=C1 AC190251 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.36 C[C@H](C(O)=O)C1=CC=CC=C1 AC180569 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.36 OC(=O)C(=C)C1=CC=CC=C1 AC021026 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 AC180081 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.40 BrCC(=O)NC1=CC=CC=C1 AC050571 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,1,0,0,0,1|1,0,0]=3 516 B11R1.40 COC(=O)CC1=CN=CC=C1 LN00214372 [0,1,0,0,0,1|0,0,0]=2 517 B11R1.40 COC(=O)CC1=NC=CN=C1 AC051082 [0,1,0,0,0,1|1,0,0]=3 518 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br LN00124676 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.86 CC(=NC1=CC=CC=C1N)O LN00141995 [0,1,0,0,0,1|1,0,1]=4 520 B11R1.86 CC(=O)CC1=CC=CC=C1Br AC511603 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.86 OC(=O)CC1=C(I)C=CC=C1 AC510681 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.86 OC(=O)CC1=C(O)C=CC=C1 AC130768 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 AC020586 [0,1,0,0,0,1|1,0,0]=3 524 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AC181194 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.157 CC(=O)OC1=CC=CC(C)=C1 HY-B0948 [0,1,0,0,0,1|1,0,0]=3 526 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 HY-B0894 [0,1,0,0,0,1|1,0,0]=3 527 B11R1.157 OC(=O)CC1=CC(O)=CC=C1 AC130034 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.157 OC(=O)CC1=CC=CC(Br)=C1 AC511114 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.157 OC(=O)CC1=CC=CC(Cl)=C1 AC500241 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.157 OC(=O)CC1=CC=CC(F)=C1 AC511141 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.157 OC(=O)CC1=CC=CC(I)=C1 AC511575 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O LN00115884 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N AC180027 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 AC511182 [0,2,0,0,0,0|1,0,0]=3 535 B11R1.3 CC(=O)C1=CN=C(C=C1)OC LN00220760 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.3 COC1=CC=C(C=N1)C(N)=O AC040095 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.3 COC1=CN=C(C=N1)C(=O)O LN00011206 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.3 COC1=NC=C(C=C1)C(C)=O AC510693 [0,2,0,0,0,0|0,0,0]=2 539 B11R1.3 COC1=NC=C(C=C1)C(O)=O AC511139 [0,2,0,0,0,0|1,0,0]=3 540 B11R1.3 CSC1=NC=C(C=N1)C(O)=O AC070104 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.3 NCC1=CC=C(C=C1)C(O)=O HY-B1258 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.3 NNC1=NC=C(C=C1)C(O)=O AC181712 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.3 OC(=O)C1=CC=C(C=C)C=C1 AC510627 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.3 OC(=O)C1=CC=C(C=C1)C#C AC500166 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.3 OC(=O)C1=CC=C(C=O)C=C1 AC510882 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.3 OC(=O)C1=CC=C(N=C1)C#N AC181213 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.3 OCC1=CC=C(C=C1)C(O)=O AC511649 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.3 [O-][N+](=O)C1=CN=C(C=C1)C#N AC182088 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.19 C1=CC(=NC=C1S(=O)(=O)Cl)Cl LN00174286 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 AC130923 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 AC180425 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC190146 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.19 ClC1=CC=C(C=N1)S(Cl)(=O)=O AC511079 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br LN00009079 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O LN01360918 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 AC180895 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.21 CC(=O)C1=CC=C(F)C(Cl)=C1 AC511644 [0,2,0,0,0,0|1,0,0]=3 558 B11R1.21 CC(=O)C1=CC=C(F)C(F)=C1 AC511682 [0,2,0,0,0,0|1,0,0]=3 559 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 AC160576 [0,2,0,0,0,0|1,0,0]=3 560 B11R1.21 CC1=C(Br)C=CC(=C1)C(O)=O AC180420 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)I LN01356961 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I LN00009376 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.21 CC1=C(C=C(C=N1)C(=O)O)Br LN01322628 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.21 CC1=C(F)C=C(C=C1)C(O)=O AC180041 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.21 CC1=C(F)C=CC(=C1)C(O)=O AC510753 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.21 CC1=CC(=CC=C1O)C(O)=O AC180983 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.21 CC1=CC(=CN=C1Br)[N+]([O-])=O AC181571 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.21 CC1=CC(=CN=C1Cl)[N+]([O-])=O AC180817 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.21 CC1=CC(=CN=C1O)C(=O)O LN00279505 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.21 CC1=CC=C(C=C1Br)C(O)=O AC511792 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.21 CC1=NC=C(C=C1Br)C(O)=O AC050264 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.21 CC1=NC=C(C=C1N)[N+]([O-])=O AC020084 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.21 FC1=C(F)C=C(C=C1)C(Cl)=O AC021119 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.21 NC1=C(N)C=C(C=C1)C(O)=O AC200130 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.21 NC1=CC=C(C=C1F)C(O)=O AC511703 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.21 NC1=CC=C(C=C1O)C(O)=O AC180334 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.21 NC1=NC=C(C=C1Br)[N+]([O-])=O AC181141 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.21 OC(=O)C1=CC(Br)=C(F)C=C1 AC511159 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.21 OC(=O)C1=CC(Cl)=C(Cl)N=C1 AC510765 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.21 OC(=O)C1=CC(Cl)=C(F)C=C1 AC511282 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.21 OC(=O)C1=CC(F)=C(Cl)N=C1 AC010390 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.21 OC(=O)C1=CC(F)=C(I)C=C1 AC182155 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.21 OC(=O)C1=CC=C(Br)C(F)=C1 AC181079 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.21 OC(=O)C1=CC=C(Br)C(O)=C1 AC182195 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.21 OC(=O)C1=CC=C(Cl)C(O)=C1 AC511937 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.21 OC(=O)C1=CC=C(I)C(O)=C1 AC131761 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.21 OC(=O)C1=CC=C(O)C(O)=C1 HY-N0294 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.21 OC(=O)C1=CN=C(Cl)C(Br)=C1 AC181372 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.21 OC(=O)C1=CN=C(O)C(Cl)=C1 AC180523 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.21 OC(=O)C1=CNC(=O)C(Br)=C1 AC182236 [0,2,0,0,0,0|1,0,1]=4 591 B11R1.21 OC1=NC=C(C=C1Br)[N+]([O-])=O AC181734 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.21 [O-][N+](=O)C1=CN=C(Br)C(Br)=C1 AC180922 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.21 [O-][N+](=O)C1=CN=C(Cl)C(Br)=C1 AC180920 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.21 [O-][N+](=O)C1=CN=C(Cl)C(Cl)=C1 AC181735 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.21 [O-][N+](=O)C1=CN=C(Cl)C(F)=C1 AC182756 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.22 C1=C(C=CC(=C1)Br)C(=O)CN LN00146620 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.22 C1=C(C=CC(=C1)F)C(=O)NN LN00116928 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr AC500028 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br LN00225179 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 AC181779 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 AC181863 [0,2,0,0,0,0|0,0,0]=2 602 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AC021180 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 AC190192 [0,2,0,0,0,0|0,0,0]=2 604 B11R1.22 COC(=O)C1=CC=C(F)N=C1 AC510655 [0,2,0,0,0,0|0,0,0]=2 605 B11R1.22 COC(=O)C1=CC=C(I)C=C1 AC130758 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AC500030 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.22 COC(=O)C1=CC=C(O)C=C1 AC190171 [0,2,0,0,0,0|1,0,0]=3 608 B11R1.22 COC(=O)C1=CN=C(C)C=C1 AC021708 [0,2,0,0,0,0|0,0,0]=2 609 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 AC511665 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.22 COC(=O)C1=CN=C(N)C=C1 AC181104 [0,2,0,0,0,0|0,0,0]=2 611 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 AC512123 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.22 COC(=O)C1=NC=C(N)C=C1 AC160157 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.22 COC(=O)C1=NC=C(N)N=C1 AC182456 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 AC511897 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.22 FC1=CC=C(C=C1)C(=O)CBr AC510754 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 AC512178 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.22 NNC(=O)C1=CNC(=O)C=C1 AC070108 [0,2,0,0,0,0|1,0,1]=4 618 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O LN00008566 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.166 C1=CC(=C(C=C1O)Br)C(=O)O LN01038895 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl LN01796470 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 AC220119 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.166 CC(=O)C1=CC=C(Br)C=C1O AC181677 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br AC511164 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl AC500263 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.166 CC(=O)C1=CC=C(N)C=C1O AC511889 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.166 CC(=O)C1=CC=C(O)C=C1F AC021126 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.166 CC(=O)C1=NC=C(F)C=C1F AC050224 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.166 CC1=C(C=CC(Br)=N1)[N+]([O-])=O AC181588 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.166 CC1=C(C=CC(O)=N1)[N+]([O-])=O AC510714 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.166 CC1=C(C=NC(Br)=C1)[N+]([O-])=O AC050468 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.166 CC1=CC(Br)=CC=C1C(O)=O AC250047 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.166 CC1=CC(Cl)=NC=C1[N+]([O-])=O AC180255 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.166 CC1=CC(F)=C(C=C1)C(O)=O AC181531 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.166 CC1=CC(N)=CC=C1C(O)=O AC181976 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.166 CC1=CC(N)=NC=C1[N+]([O-])=O AC180257 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.166 CC1=CC(O)=C(C=N1)C(O)=O AC181761 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.166 CC1=CC(O)=NC=C1[N+]([O-])=O AC180256 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.166 CC1=CC=C(C(N)=N1)[N+]([O-])=O AC180488 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.166 CC1=CC=C(C(O)=O)C(Br)=C1 AC511793 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.166 CC1=CC=C(C(O)=O)C(Cl)=N1 AC020050 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.166 CC1=CC=C(C(O)=O)C(N)=C1 AC511862 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)C LN00181449 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)Cl LN00131032 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.166 CC1=NC(Cl)=CC=C1[N+]([O-])=O AC180940 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.166 CC1=NC(N)=CC=C1[N+]([O-])=O AC180529 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.166 ClC(=O)C1=CN=C(Cl)N=C1Cl AC182438 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.166 NC(=O)C1=C(N)N=C(Cl)C=C1 AC020634 [0,2,0,0,0,0|1,0,0]=3 648 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N AC182388 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.166 NC(=O)C1=CN=C(Cl)N=C1Cl AC512008 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.166 NC1=C(C=CC(Cl)=C1)C(O)=O AC180214 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.166 NC1=C(C=CC(Cl)=N1)C(O)=O AC020633 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.166 NC1=C(C=CC(Cl)=N1)[N+]([O-])=O AC180472 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.166 NC1=CC(Br)=CC=C1C(O)=O AC181692 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.166 NC1=CC(Cl)=C(C=C1)C(O)=O AC511619 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.166 NC1=CC(I)=CC=C1C(O)=O AC182459 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.166 NC1=CC=C(C(O)=O)C(F)=C1 AC511347 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.166 NC1=CC=C(C(O)=O)C(O)=C1 HY-B1048 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.166 NC1=NC=C(C(Cl)=C1)[N+]([O-])=O AC181879 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.166 OC(=O)C1=C(Br)C=C(Cl)C=C1 AC181078 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.166 OC(=O)C1=C(Br)C=C(F)C=C1 AC180537 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.166 OC(=O)C1=C(Br)N=C(F)C=C1 AC050995 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.166 OC(=O)C1=C(Cl)C=C(Cl)C=C1 AC510802 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.166 OC(=O)C1=C(Cl)C=C(F)C=C1 AC200135 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=C1 AC511019 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.166 OC(=O)C1=C(F)C=C(Cl)C=C1 AC510774 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.166 OC(=O)C1=C(F)C=C(F)C=C1 AC180271 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.166 OC(=O)C1=C(F)C=C(I)C=C1 AC181546 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.166 OC(=O)C1=C(F)N=C(Br)C=C1 AC050280 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.166 OC(=O)C1=C(O)C=C(Br)C=C1 AC500228 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.166 OC(=O)C1=CC=C(Br)C=C1Cl AC180439 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.166 OC(=O)C1=CC=C(Cl)C=C1I AC511491 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.166 OC(=O)C1=CC=C(Cl)N=C1Cl AC180623 [0,2,0,0,0,0|1,0,0]=3 673 B11R1.166 OC(=O)C1=CC=C(F)C=C1O AC511669 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.166 OC(=O)C1=CC=C(O)C=C1F AC181201 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.166 OC(=O)C1=CN=C(Br)C=C1Cl AC050221 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.166 OC(=O)C1=CN=C(Cl)C=C1Cl AC180938 [0,2,0,0,0,0|1,0,0]=3 677 B11R1.166 OC(=O)C1=CN=C(Cl)N=C1Cl AC182553 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.166 OC(=O)C1=CN=C(O)N=C1O AC180624 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.166 OC(=O)C1=NC=C(Cl)N=C1Cl AC512007 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.166 [O-][N+](=O)C1=CC=C(Br)N=C1Br AC030147 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.166 [O-][N+](=O)C1=CC=C(Cl)N=C1Br AC511258 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.166 [O-][N+](=O)C1=CC=C(Cl)N=C1Cl AC180143 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.166 [O-][N+](=O)C1=CC=C(F)N=C1F AC050592 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.166 [O-][N+](=O)C1=CN=C(Cl)C=C1Cl AC170076 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.7 BrCS(=O)(=O)C1=CC=CC=C1 AC030196 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.16 CCOC(=O)C1=CC=CC=N1 LN00174068 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.16 CCOC(=O)C1=NC=CN=N1 AC050203 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.16 ClCOC(=O)C1=CC=CC=C1 AC511140 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.16 O=C(CC#N)C1=CC=CC=C1 AC500022 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.16 O=C(CC#N)C1=CC=CN=C1 AC182272 [0,2,0,0,0,0|0,0,0]=2 691 B11R1.16 O=C(CC#N)C1=NC=CC=C1 AC160466 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr LN00145927 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.23 CC1=CC(=CC=N1)C(=O)OC LN00222103 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.23 CNC(=O)C1=CC(Cl)=CC=N1 AC021408 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 AC021409 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AC182395 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 AC500293 [0,2,0,0,0,0|0,0,0]=2 698 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AC130905 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AC030128 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.23 COC(=O)C1=CC(Cl)=CC=N1 AC500112 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.23 COC(=O)C1=CC(N)=NC=C1 AC181772 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.23 COC(=O)C1=CC=CC(Br)=N1 AC021134 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 AC180795 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.23 COC(=O)C1=CC=CC(I)=C1 AC130759 [0,2,0,0,0,0|1,0,0]=3 705 B11R1.23 COC(=O)C1=CC=CC(O)=C1 AC021635 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 AC182569 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.23 COC(=O)C1=CN=CC(O)=C1 AC160383 [0,2,0,0,0,0|0,0,0]=2 708 B11R1.23 COC(=O)C1=NC(=CN=C1)Br LN00175851 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 AC512098 [0,2,0,0,0,0|1,0,0]=3 710 B11R1.23 COC(=O)C1=NC(C)=CC=C1 AC181940 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.23 COC(=O)C1=NC(N)=CC=C1 AC131427 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.23 COC(=O)C1=NC(N)=CN=C1 AC182575 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 AC511026 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.23 COC(=O)C1=NC=CC(N)=C1 AC160525 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.23 ClC1=CC(=CC=C1)C(=O)CBr AC181101 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 AC060049 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 AC030031 [0,2,0,0,0,0|1,0,0]=3 718 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 AC130237 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.222 COC(=O)C1=C(F)N=CC=C1 AC181573 [0,2,0,0,0,0|0,0,0]=2 720 B11R1.222 COC(=O)C1=C(F)N=CC=C1 LN00171755 [0,2,0,0,0,0|0,0,0]=2 721 B11R1.222 COC(=O)C1=C(I)C=CC=C1 AC130757 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.222 COC(=O)C1=C(N)C=NC=C1 AC181387 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.222 COC(=O)C1=C(O)C=NC=C1 AC181065 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.222 COC(=O)C1=C(O)N=CN=C1 AC181268 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.222 COC(=O)C1=CC=CN=C1C AC180513 [0,2,0,0,0,0|0,0,0]=2 726 B11R1.222 COC(=O)C1=CC=CN=C1N AC021174 [0,2,0,0,0,0|0,0,0]=2 727 B11R1.222 COC(=O)C1=CC=NC=C1F AC160577 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.222 COC(=O)C1=CN=CC=C1C AC182396 [0,2,0,0,0,0|0,0,0]=2 729 B11R1.222 COC(=O)C1=CN=CC=C1N AC170093 [0,2,0,0,0,0|0,0,0]=2 730 B11R1.222 COC(=O)C1=NC=CN=C1Br AC210044 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.222 COC(=O)C1=NC=CN=C1N AC180244 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.222 FC1=CC=CC=C1C(=O)CBr AC190234 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.222 NNC(=O)C1=CC=CC=C1O AC190220 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.87 CP(C)(=O)C1=CC=CC=C1N AC511962 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.53 CC(=O)C1=CC=CC=C1C#N AC511890 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.53 CCC1=C(C=CC=N1)C(=O)O LN00337936 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.53 CCC1=CC=CC=C1C(O)=O AC220178 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.53 COC1=C(C=NC=C1)[N+]([O-])=O AC030145 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.53 COC1=NC=CC=C1C(O)=O AC512049 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.53 COC1=NC=CN=C1C(O)=O AC512126 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.53 OC(=O)C1=C(C=O)C=CC=C1 AC180060 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.53 [O-][N+](=O)C1=CC=CN=C1C=O AC182572 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)Br LN01103640 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.156 CC(=O)C1=C(F)C=CC=C1F AC180004 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O LN00180777 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.156 CC1=C(C(N)=NC=C1)[N+]([O-])=O AC180154 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.156 CC1=C(C(O)=O)C(Br)=CC=C1 AC510997 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.156 CC1=C(C(O)=O)C(Cl)=CC=C1 AC180479 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.156 CC1=CC=CC(N)=C1C(O)=O AC180216 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.156 CC1=CC=CC(O)=C1C(O)=O AC181197 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.156 NC1=C(C(Cl)=NC=C1)[N+]([O-])=O AC182106 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.156 NC1=C(C(O)=O)C(Cl)=CC=C1 AC180503 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.156 NC1=CC=CC(Br)=C1C(O)=O AC181693 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.156 NC1=CC=CC(F)=C1C(O)=O AC130111 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.156 NC1=CC=NC(O)=C1[N+]([O-])=O AC021077 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.156 OC(=O)C1=C(Cl)N=CC=C1Cl AC130184 [0,2,0,0,0,0|1,0,0]=3 757 B11R1.156 OC(=O)C1=C(Cl)N=CC=C1F AC131137 [0,2,0,0,0,0|1,0,0]=3 758 B11R1.156 OC(=O)C1=C(Cl)N=CC=C1I AC190122 [0,2,0,0,0,0|1,0,0]=3 759 B11R1.156 OC(=O)C1=C(F)C=CC=C1Br AC181254 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.156 OC(=O)C1=C(F)C=CC=C1F AC020998 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.156 OC(=O)C1=C(O)C=CC=C1F AC511776 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.156 OC1=C(C(O)=NC=C1)[N+]([O-])=O AC021076 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.156 [O-][N+](=O)C1=C(Cl)C=CN=C1Cl AC020578 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.159 C1=CC(=C(C(=C1)Cl)Br)C(=O)O LN00204324 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.159 C1=CC(=C(C(=C1)F)Br)C(=O)O LN01316525 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 AC182239 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.159 CC1=C(Br)C=CC=C1C(O)=O AC130042 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.159 CC1=C(Br)C=NC=C1[N+]([O-])=O AC182667 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)I LN00116621 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.159 CC1=C(C=CC=C1Cl)C(O)=O AC180528 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.159 CC1=C(C=CC=C1F)C(O)=O AC510933 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.159 CC1=C(I)C(=CC=C1)C(O)=O AC510630 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.159 CC1=C(O)C(=CC=C1)C(O)=O HY-B1399 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.159 CC1=CC=CC(C(O)=O)=C1Br AC510821 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.159 CC1=CC=CC(C(O)=O)=C1C AC021104 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.159 CC1=CC=CC(C(O)=O)=C1N AC511696 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.159 NC1=C(Br)C=CC=C1C(O)=O AC181691 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.159 NC1=C(C=CC=C1Cl)C(O)=O AC180742 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.159 NC1=C(F)C=CC=C1C(O)=O AC181251 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.159 NC1=C(O)C=CC=C1C(O)=O AC130201 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.159 OC(=O)C1=C(Br)C(F)=CC=C1 AC130173 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.159 OC(=O)C1=CC=CC(Br)=C1O AC511188 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.159 OC1=C(Br)C=NC=C1[N+]([O-])=O AC182334 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.159 [O-][N+](=O)C1=CN=CC(Br)=C1Cl AC020984 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.167 C1=C(C=NC(=C1C(=O)O)N)Br LN00008839 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.167 C1=C(C=NC(=C1[N+](=O)[O-])Cl)Br LN00125393 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br LN00008719 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl LN00007888 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 AC180460 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=N1 AC050927 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 AC130204 [0,2,0,0,0,0|1,0,0]=3 792 B11R1.167 CC(=O)C1=CC(Br)=CC=C1F AC182638 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.167 CC(=O)C1=CC(Br)=CC=C1N AC511145 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.167 CC(=O)C1=CC(Br)=CC=C1O AC510656 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Cl AC020882 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.167 CC(=O)C1=CC(F)=CC=C1O AC510745 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.167 CC1=C(C=C(I)C=C1)C(O)=O AC181258 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.167 CC1=C(C=C(N)C=C1)C(O)=O AC181945 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O LN00117409 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.167 CC1=CC=C(Br)C=C1C(O)=O AC511799 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.167 CC1=CC=C(Cl)C(=C1)C(O)=O AC511767 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.167 CC1=CC=C(N)C(=C1)C(O)=O AC180220 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.167 CC1=CN=C(Br)C(=C1)[N+]([O-])=O AC182340 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.167 NC(=O)C1=C(Cl)N=CC(Cl)=C1 AC180875 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.167 NC(=O)C1=C(N)N=CC(Br)=C1 AC050591 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.167 NC(=O)C1=NC(Br)=CN=C1O AC170012 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1O AC051078 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.167 NC1=C(C=C(Br)C=C1)C(O)=O AC510850 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.167 NC1=C(C=C(Br)C=N1)C(O)=O AC181326 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.167 NC1=C(C=C(Br)C=N1)[N+]([O-])=O AC180487 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.167 NC1=C(C=C(F)C=C1)C(O)=O AC512093 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.167 NC1=C(C=C(F)C=N1)[N+]([O-])=O AC511595 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.167 NC1=C(C=C(I)C=C1)C(O)=O AC180218 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.167 NC1=C(C=C(O)C=C1)C(O)=O AC180219 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.167 NC1=CC(C(O)=O)=C(O)C=C1 HY-15027 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.167 NC1=NC=C(Br)N=C1C(O)=O AC511230 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.167 OC(=O)C1=C(Br)C=CC(O)=C1 AC512094 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.167 OC(=O)C1=C(Br)N=CC(Cl)=C1 AC182442 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.167 OC(=O)C1=C(Cl)C=CC(F)=C1 AC180797 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.167 OC(=O)C1=C(Cl)N=CC(F)=C1 AC500330 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.167 OC(=O)C1=C(F)N=CC(Br)=C1 AC182057 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 AC130216 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.167 OC(=O)C1=CC(Br)=CC=C1Br AC180318 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.167 OC(=O)C1=CC(Br)=CC=C1Cl AC511599 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.167 OC(=O)C1=CC(Br)=CC=C1I AC180644 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.167 OC(=O)C1=CC(Br)=CN=C1Cl AC181748 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.167 OC(=O)C1=CC(Br)=CN=C1O AC020330 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.167 OC(=O)C1=CC(Cl)=CC=C1F AC181071 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.167 OC(=O)C1=CC(Cl)=CC=C1O AC500101 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.167 OC(=O)C1=CC(Cl)=CN=C1Cl AC181345 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.167 OC(=O)C1=CC(Cl)=CN=C1O AC180874 [0,2,0,0,0,0|1,0,0]=3 832 B11R1.167 OC(=O)C1=CC(Cl)=NN=C1Cl AC130163 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.167 OC(=O)C1=CC(I)=CC=C1Br AC180643 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.167 OC(=O)C1=CC(I)=CC=C1Cl AC180645 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.167 OC(=O)C1=CC(I)=CC=C1F AC500186 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.167 OC1=NC=C(Cl)C=C1[N+]([O-])=O AC180702 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.167 [O-][N+](=O)C1=C(Cl)N=CC(Cl)=C1 AC182002 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.167 [O-][N+](=O)C1=C(F)N=CC(Cl)=C1 AC182014 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.167 [O-][N+](=O)C1=CC(Br)=CN=C1Br AC182424 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.167 [O-][N+](=O)C1=CC(Br)=CN=C1Cl AC180906 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.167 [O-][N+](=O)C1=CC(Cl)=CN=C1Br AC182107 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.167 [O-][N+](=O)C1=CC(F)=CN=C1Br AC511935 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)O LN00116557 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.74 CC(=O)C1=CC(=CC(=C1)F)F LN00117061 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 AC180640 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 AC310106 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.74 CC1=CC(Cl)=CC(=C1)C(O)=O AC182586 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.74 CC1=CC(F)=CC(=C1)C(O)=O AC181548 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.74 NC1=CC(=CC(O)=C1)C(O)=O AC180469 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.74 NC1=CC(Br)=CC(=C1)C(O)=O AC180910 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.74 OC(=O)C1=CC(Br)=CC(Cl)=C1 AC511869 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.74 OC(=O)C1=CC(Br)=CC(F)=C1 AC181255 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.74 OC(=O)C1=CC(Cl)=CC(Cl)=C1 AC180042 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.74 OC(=O)C1=CC(F)=CC(F)=C1 AC510561 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N LN00180819 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.266 CC(=O)C1=CC(=CC=C1)C#N AC250032 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.266 COC1=CC(=CN=C1)C(O)=O AC160339 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.266 COC1=CC=CC(=C1)C(O)=O AC180043 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.266 NCC1=CC(=CC=C1)C(O)=O AC170057 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.266 OC(=O)C1=CC(=CC=C1)C#N AC180040 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.266 OC(=O)C1=CC(C=O)=CC=C1 AC160494 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.266 OC(=O)C1=CC=CC(CBr)=C1 AC511772 [0,2,0,0,0,0|2,0,0]=4 863 B9R1.13 CC(=O)CC1=CC=CS1 LN00166067 [0,0,1,1,0,0|1,0,1]=4 864 B11R2.10 BrC1=CC2=C(C1)C=CC=C2 AC182055 [0,0,0,1,0,1|2,0,0]=4 865 B11R2.10 BrC1=CC2=C(N1)N=CC=C2 AC020302 [0,0,0,1,0,1|2,0,0]=4 866 B11R2.10 BrC1=CC2=C(S1)C=CN=C2 AC050722 [0,0,0,1,0,1|1,1,0]=4 867 B11R2.10 CC1=CC2=C(N1)C=CC=C2 AC511008 [0,0,0,1,0,1|2,0,0]=4 868 B11R2.10 CC1=CC2=C(N1)N=CC=C2 AC210034 [0,0,0,1,0,1|1,0,0]=3 869 B11R2.10 ClC1=NC2=C(S1)C=CN=C2 AC190027 [0,0,0,1,0,1|1,1,0]=4 870 B11R2.10 O=C1CC2=C(N1)C=CC=C2 AC021698 [0,0,0,1,0,1|1,0,0]=3 871 B11R2.10 O=C1CC2=C(O1)C=CC=C2 AC021054 [0,0,0,1,0,1|1,0,0]=3 872 B11R2.10 O=C1NC2=CC=CN=C2N1 AC181035 [0,0,0,1,0,1|1,0,0]=3 873 B11R2.34 FC1=NC=C(C=C1)C2CC2 AC030017 [0,1,0,1,0,0|1,0,1]=4 874 B11R2.34 OC1=NC=C(C=C1)C2CC2 AC030018 [0,1,0,1,0,0|1,0,1]=4 875 B11R2.1 BrC1=CNC2=C1C=CC=N2 AC020574 [0,1,0,1,0,0|1,0,1]=4 876 B11R2.1 C1=C2C(=CN=C1)C(=CS2)Br LN00243146 [0,1,0,1,0,0|1,0,1]=4 877 B11R2.1 CC1=CNC2=C1C=CC=C2 AC500066 [0,1,0,1,0,0|2,0,0]=4 878 B11R2.1 CC1=CNC2=C1C=CC=N2 AC020743 [0,1,0,1,0,0|1,0,0]=3 879 B11R2.1 IC1=CNC2=C1C=NC=C2 AC182228 [0,1,0,1,0,0|1,0,1]=4 880 B11R2.1 IC1=NNC2=NC=CC=C12 AC021469 [0,1,0,1,0,0|2,0,0]=4 881 B11R2.1 NC1=NNC2=C1C=CC=N2 AC021468 [0,1,0,1,0,0|2,0,0]=4 882 B11R2.1 NC1COC2=NC=CC=C12 AC512024 [0,1,0,1,0,0|1,0,1]=4 883 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [0,1,0,1,0,0|1,0,0]=3 884 B11R2.1 O=C1CCC2=CC=CN=C12 AC182161 [0,1,0,1,0,0|2,0,0]=4 885 B11R2.1 O=C1CCC2=NC=CC=C12 AC511871 [0,1,0,1,0,0|0,0,0]=2 886 B11R2.1 O=C1COC2=C1C=CC=C2 AC130193 [0,1,0,1,0,0|1,0,0]=3 887 B11R2.1 O=C1CSC2=CC=CC=C12 AC182209 [0,1,0,1,0,0|1,0,0]=3 888 B11R2.1 O=C1NCC2=CC=CC=C12 AC511115 [0,1,0,1,0,0|1,0,0]=3 889 B11R2.55 FC1=NC=CC=C1C2CC2 AC040078 [0,1,0,1,0,0|1,0,1]=4 890 B7R1.1 C1=CNC(=C1)C=O LN00008368 [1,0,0,0,1,0|0,0,1]=3 891 B7R1.1 C=CC1=NC=CN1 AC280004 [1,0,0,0,1,0|1,0,1]=4 892 B7R1.1 CNC1=NC=CO1 LN00002575 [1,0,0,0,1,0|2,0,0]=4 893 B7R1.1 CNC1=NOC=C1 LN00001263 [1,0,0,0,1,0|2,0,0]=4 894 B7R1.1 CNC1=NOC=C1 LN00002470 [1,0,0,0,1,0|2,0,0]=4 895 B7R1.1 COC1=CC=CS1 AC130135 [1,0,0,0,1,0|2,0,0]=4 896 B7R1.1 COC1=CSC=C1 AC511563 [1,0,0,0,1,0|2,0,0]=4 897 B7R1.1 CSC1=CNN=C1 LN01331335 [1,0,0,0,1,0|2,0,0]=4 898 B7R1.1 O=CC1=CC=CN1 AC180090 [1,0,0,0,1,0|0,0,1]=3 899 B7R1.1 O=CC1=CC=CS1 AC511013 [1,0,0,0,1,0|1,0,0]=3 900 B7R1.1 O=CC1=CN=CO1 AC051098 [1,0,0,0,1,0|1,0,0]=3 901 B7R1.1 O=CC1=CN=CS1 AC181432 [1,0,0,0,1,0|1,0,0]=3 902 B7R1.1 O=CC1=CNC=C1 AC280042 [1,0,0,0,1,0|0,0,1]=3 903 B7R1.1 O=CC1=CNC=N1 AC180818 [1,0,0,0,1,0|1,0,0]=3 904 B7R1.1 O=CC1=CNN=C1 AC030123 [1,0,0,0,1,0|1,0,0]=3 905 B7R1.1 O=CC1=CSC=C1 AC180098 [1,0,0,0,1,0|1,0,0]=3 906 B7R1.1 O=CC1=CSC=N1 AC511667 [1,0,0,0,1,0|1,0,0]=3 907 B7R1.1 O=CC1=NC=CS1 AC180755 [1,0,0,0,1,0|1,0,0]=3 908 B7R1.1 O=CC1=NNC=C1 AC200098 [1,0,0,0,1,0|1,0,0]=3 909 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O LN02139389 [0,0,0,0,0,2|1,0,0]=3 910 B11R1.91 CC(=O)C#CC1=CC=CC=C1 AC270040 [0,0,0,0,0,2|1,0,0]=3 911 B11R1.91 NC(=O)OCC1=CC=CC=C1 AC511867 [0,0,0,0,0,2|2,0,0]=4 912 B11R1.91 OC(=O)C#CC1=CC=CC=C1 AC500012 [0,0,0,0,0,2|2,0,0]=4