0 B7R1.4 BrC1=C(Br)SC=C1 024261 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 BrC1=CNN=C1Br 104589 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 BrC1=CSC=C1Br 001057 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.4 CC1=C(Br)NC=N1 209278 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.4 CC1=C(Br)SC=C1 013451 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 CC1=C(C)SC=N1 002761 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.4 CC1=C(Cl)SC=C1 024249 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.4 CC1=CC=NN1C 026155 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 CC1=CNN=C1O 312908 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.4 CC1=CSC=C1Br 024231 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.4 CC1=NC=CN1C 093937 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.4 CC1=NNC=C1Br 064560 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.4 CC1=NNC=C1I 093372 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.4 CN1C=CN=C1I 216361 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.4 CN1C=CNC1=S 322149 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.4 CN1C=NN=C1S 358193 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.4 CN1N=CC=C1N 030129 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.4 ClC1=C(Cl)SC=C1 024868 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.4 ClC1=NSN=C1Cl 235011 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.4 NC1=CSC=C1N 225299 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.4 NC1=NNC=C1Br 005504 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.4 NC1=NNC=C1I 046978 [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 BrC1=CC=CO1 067357 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 BrC1=CC=CS1 001055 [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 BrC1=CNC=N1 047684 [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 BrC1=CNN=C1 036347 [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 BrC1=COC=C1 013445 [1,0,0,0,0,0|1,1,0]=3 27 B6R1.2 BrC1=CSC=C1 003082 [1,0,0,0,0,0|1,0,0]=2 28 B6R1.2 BrC1=CSC=N1 016178 [1,0,0,0,0,0|2,0,0]=3 29 B6R1.2 BrC1=NNC=C1 079925 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 CC1=CC=CN1 214609 [1,0,0,0,0,0|2,0,0]=3 31 B6R1.2 CC1=CC=CO1 463359 [1,0,0,0,0,0|2,0,0]=3 32 B6R1.2 CC1=CC=CS1 001209 [1,0,0,0,0,0|2,0,0]=3 33 B6R1.2 CC1=CCCC1 103763 [1,0,0,0,0,0|1,0,2]=4 34 B6R1.2 CC1=CNC=N1 078608 [1,0,0,0,0,0|2,0,0]=3 35 B6R1.2 CC1=CNN=C1 043307 [1,0,0,0,0,0|2,0,0]=3 36 B6R1.2 CC1=COC=N1 224056 [1,0,0,0,0,0|1,1,0]=3 37 B6R1.2 CC1=CSC=C1 003448 [1,0,0,0,0,0|0,0,0]=1 38 B6R1.2 CC1=CSC=N1 002765 [1,0,0,0,0,0|1,0,0]=2 39 B6R1.2 CC1=NC=CN1 157400 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 CC1=NNC=C1 033183 [1,0,0,0,0,0|2,0,0]=3 41 B6R1.2 CN1C=CC=C1 044896 [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 CN1C=CC=N1 046854 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 CN1C=CN=C1 005002 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 CN1C=CN=C1 245803 [1,0,0,0,0,0|2,0,0]=3 45 B6R1.2 CN1C=NC=N1 043664 [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 ClC1=CC=CS1 002954 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 ClC1=CNN=C1 026202 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 ClC1=CSC=C1 001747 [1,0,0,0,0,0|1,0,0]=2 49 B6R1.2 IC1=CC=CS1 001058 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 IC1=CNC=N1 067394 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 IC1=CNN=C1 005458 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 IC1=CSC=C1 079489 [1,0,0,0,0,0|1,0,0]=2 53 B6R1.2 IC1=NNC=C1 046994 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 NC1=CNN=C1 043675 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 NC1=CSC=C1 049735 [1,0,0,0,0,0|1,0,0]=2 56 B6R1.2 NC1=NNC=C1 035587 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 NC1=NOC=C1 064896 [1,0,0,0,0,0|2,1,0]=4 58 B6R1.2 NN1C=CC=C1 105200 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 O=C1C=CCC1 049816 [1,0,0,0,0,0|2,0,1]=4 60 B6R1.2 O=C1C=CCO1 095003 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 SC1=CC=CS1 018767 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.11 C#CC1=CN=CN1C 233858 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.11 CC1=C(C=O)SC=C1 024308 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.11 CC1=C(CO)NC=N1 077905 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.11 CC1=C(CO)SC=N1 217920 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.11 CC1=NNC=C1C#N 321453 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.11 CN1C=CC=C1C=O 079662 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.11 CN1C=CN=C1CN 041898 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.11 CN1C=CN=C1CO 067732 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.11 CN1C=NC=C1CO 236726 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.18 CC1=C(C)NC(S)=N1 009935 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.18 CC1=C(C)SC(N)=N1 014135 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.18 CC1=C(C)SC(N)=N1 209385 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.18 CC1=C(C)SC(S)=N1 009921 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.18 CC1=CC(=O)OC1=O 236869 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.18 CC1=CC(C)=NN1C 019024 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.18 CC1=CC(N)=NN1C 030210 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.50 CC1=C(Br)C(N)=NO1 017286 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.50 CC1=C(C)C(N)=NO1 076966 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.50 CC1=C(C)C(O)=NO1 180028 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.50 CC1=NNC(C)=C1Br 017107 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.50 CC1=NNC(C)=C1C 311762 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.50 CC1=NNC(C)=C1Cl 026201 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.50 CC1=NOC(C)=C1Br 017251 [0,1,0,0,0,0|2,1,0]=4 85 B8R1.50 CC1=NOC(C)=C1I 023250 [0,1,0,0,0,0|2,1,0]=4 86 B8R1.50 CN1C(=O)CSC1=S 483266 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.1 CC\C=C(/C)C=O 103302 [0,0,1,0,0,0|2,0,1]=4 88 B6R0.3 C=C(C)C(=O)NC 241594 [0,0,1,0,0,0|3,0,0]=4 89 B6R0.3 C=C(C)C(=O)OC 995248 [0,0,1,0,0,0|3,0,0]=4 90 B6R0.3 C=CN(C)C(C)=O 235676 [0,0,1,0,0,0|3,0,0]=4 91 B6R0.3 CC(=O)\C(C)=N\O 099089 [0,0,1,0,0,0|2,1,0]=4 92 B6R0.3 C\C=C(/C)C(=O)O 099810 [0,0,1,0,0,0|3,0,0]=4 93 B6R0.6 C\C=C\C=C\C=O 242913 [0,0,1,0,0,0|2,0,0]=3 94 B8R1.4 BrC1=CC(I)=CC=C1 001125 [0,0,0,0,0,1|3,0,0]=4 95 B8R1.4 BrC1=CC=CC(Br)=C1 001159 [0,0,0,0,0,1|3,0,0]=4 96 B8R1.4 BrC1=CC=CC(Br)=N1 024557 [0,0,0,0,0,1|3,0,0]=4 97 B8R1.4 BrC1=CN=CC(Br)=C1 032698 [0,0,0,0,0,1|3,0,0]=4 98 B8R1.4 BrC1=CN=CC(I)=C1 046191 [0,0,0,0,0,1|3,0,0]=4 99 B8R1.4 CC1=CC(=O)NC=C1 358401 [0,0,0,0,0,1|3,0,0]=4 100 B8R1.4 CC1=CC(Br)=CC=C1 001434 [0,0,0,0,0,1|2,0,0]=3 101 B8R1.4 CC1=CC(Br)=CN=C1 036864 [0,0,0,0,0,1|2,0,0]=3 102 B8R1.4 CC1=CC(Br)=NC=C1 009754 [0,0,0,0,0,1|3,0,0]=4 103 B8R1.4 CC1=CC(C)=NC=C1 242811 [0,0,0,0,0,1|2,0,0]=3 104 B8R1.4 CC1=CC(C)=NC=N1 045792 [0,0,0,0,0,1|3,0,0]=4 105 B8R1.4 CC1=CC(Cl)=CC=C1 243038 [0,0,0,0,0,1|2,0,0]=3 106 B8R1.4 CC1=CC(Cl)=NC=C1 010404 [0,0,0,0,0,1|3,0,0]=4 107 B8R1.4 CC1=CC(F)=CC=C1 001442 [0,0,0,0,0,1|2,0,0]=3 108 B8R1.4 CC1=CC(F)=NC=C1 006287 [0,0,0,0,0,1|3,0,0]=4 109 B8R1.4 CC1=CC(I)=CC=C1 001200 [0,0,0,0,0,1|2,0,0]=3 110 B8R1.4 CC1=CC(N)=NC=C1 013751 [0,0,0,0,0,1|3,0,0]=4 111 B8R1.4 CC1=CC=CC(C)=C1 103820 [0,0,0,0,0,1|1,0,0]=2 112 B8R1.4 CC1=CC=CC(C)=N1 092726 [0,0,0,0,0,1|1,0,0]=2 113 B8R1.4 CC1=CC=CC(C)=N1 104293 [0,0,0,0,0,1|1,0,0]=2 114 B8R1.4 CC1=CC=CC(Cl)=N1 010405 [0,0,0,0,0,1|2,0,0]=3 115 B8R1.4 CC1=CC=CC(F)=N1 006288 [0,0,0,0,0,1|2,0,0]=3 116 B8R1.4 CC1=CC=CC(N)=C1 033242 [0,0,0,0,0,1|2,0,0]=3 117 B8R1.4 CC1=CC=CC(N)=N1 020196 [0,0,0,0,0,1|2,0,0]=3 118 B8R1.4 CC1=CC=CC(O)=C1 094674 [0,0,0,0,0,1|2,0,0]=3 119 B8R1.4 CC1=CC=NC(Cl)=N1 044515 [0,0,0,0,0,1|3,0,0]=4 120 B8R1.4 CC1=CC=NC(N)=N1 003634 [0,0,0,0,0,1|3,0,0]=4 121 B8R1.4 CC1=CN=CC(C)=C1 094626 [0,0,0,0,0,1|1,0,0]=2 122 B8R1.4 CC1=CN=CC(C)=N1 002730 [0,0,0,0,0,1|1,0,0]=2 123 B8R1.4 CC1=CN=CC(Cl)=N1 067405 [0,0,0,0,0,1|2,0,0]=3 124 B8R1.4 CC1=CN=CC(N)=C1 033255 [0,0,0,0,0,1|2,0,0]=3 125 B8R1.4 CC1=C[N+]([O-])=CC=C1 233635 [0,0,0,0,0,1|3,0,0]=4 126 B8R1.4 CC1=NC(Br)=CC=C1 020192 [0,0,0,0,0,1|2,0,0]=3 127 B8R1.4 CC1=NC(Cl)=CC=N1 061014 [0,0,0,0,0,1|3,0,0]=4 128 B8R1.4 CC1=NC(S)=NC=C1 068730 [0,0,0,0,0,1|3,0,0]=4 129 B8R1.4 CC1=NC=CC(Br)=C1 036985 [0,0,0,0,0,1|3,0,0]=4 130 B8R1.4 CC1=NC=CC(Cl)=C1 003362 [0,0,0,0,0,1|3,0,0]=4 131 B8R1.4 CC1=NC=CC(N)=C1 024684 [0,0,0,0,0,1|3,0,0]=4 132 B8R1.4 CC1=NC=CC(O)=C1 076527 [0,0,0,0,0,1|3,0,0]=4 133 B8R1.4 C[N+]1=CC(Br)=CC=C1 182518 [0,0,0,0,0,1|3,0,0]=4 134 B8R1.4 C[N+]1=CC(Cl)=CC=C1 181184 [0,0,0,0,0,1|3,0,0]=4 135 B8R1.4 C[N+]1=CC(I)=CC=C1 182790 [0,0,0,0,0,1|3,0,0]=4 136 B8R1.4 ClC1=CC(Br)=CC=C1 001104 [0,0,0,0,0,1|3,0,0]=4 137 B8R1.4 ClC1=CC(I)=CC=C1 001150 [0,0,0,0,0,1|3,0,0]=4 138 B8R1.4 ClC1=CC=CC(Br)=N1 035849 [0,0,0,0,0,1|3,0,0]=4 139 B8R1.4 ClC1=CC=CC(Cl)=C1 241021 [0,0,0,0,0,1|3,0,0]=4 140 B8R1.4 ClC1=CC=CC(Cl)=N1 209011 [0,0,0,0,0,1|3,0,0]=4 141 B8R1.4 ClC1=CN=CC(Br)=C1 033253 [0,0,0,0,0,1|3,0,0]=4 142 B8R1.4 ClC1=CN=CC(Cl)=C1 049696 [0,0,0,0,0,1|3,0,0]=4 143 B8R1.4 ClC1=CN=CC(Cl)=N1 002758 [0,0,0,0,0,1|3,0,0]=4 144 B8R1.4 FC1=CC(Cl)=CN=C1 045059 [0,0,0,0,0,1|3,0,0]=4 145 B8R1.4 FC1=CC(I)=CC=C1 001183 [0,0,0,0,0,1|3,0,0]=4 146 B8R1.4 FC1=CC=CC(Br)=C1 001224 [0,0,0,0,0,1|3,0,0]=4 147 B8R1.4 FC1=CC=CC(Br)=N1 033114 [0,0,0,0,0,1|3,0,0]=4 148 B8R1.4 FC1=CC=CC(Cl)=C1 001146 [0,0,0,0,0,1|3,0,0]=4 149 B8R1.4 FC1=CC=CC(F)=C1 001232 [0,0,0,0,0,1|3,0,0]=4 150 B8R1.4 FC1=CC=CC(F)=N1 001607 [0,0,0,0,0,1|3,0,0]=4 151 B8R1.4 FC1=CC=CC(S)=C1 001299 [0,0,0,0,0,1|3,0,0]=4 152 B8R1.4 FC1=CN=CC(Br)=C1 037143 [0,0,0,0,0,1|3,0,0]=4 153 B8R1.4 FC1=CN=CC(I)=C1 038149 [0,0,0,0,0,1|3,0,0]=4 154 B8R1.4 FC1=NC(Cl)=CC=C1 033248 [0,0,0,0,0,1|3,0,0]=4 155 B8R1.4 IC1=CC=CC(I)=C1 001752 [0,0,0,0,0,1|3,0,0]=4 156 B8R1.4 NC1=CC(Br)=CC=C1 003072 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.4 NC1=CC(Br)=CN=C1 033123 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.4 NC1=CC(Cl)=CC=C1 038261 [0,0,0,0,0,1|3,0,0]=4 159 B8R1.4 NC1=CC(F)=CC=C1 001438 [0,0,0,0,0,1|3,0,0]=4 160 B8R1.4 NC1=CC=CC(Cl)=N1 012728 [0,0,0,0,0,1|3,0,0]=4 161 B8R1.4 NC1=CC=CC(I)=C1 227695 [0,0,0,0,0,1|3,0,0]=4 162 B8R1.4 NC1=CC=CC(N)=C1 216678 [0,0,0,0,0,1|3,0,0]=4 163 B8R1.4 NC1=CC=CC(N)=N1 077786 [0,0,0,0,0,1|3,0,0]=4 164 B8R1.4 NC1=CC=CC(O)=C1 099283 [0,0,0,0,0,1|3,0,0]=4 165 B8R1.4 NC1=CN=CC(F)=C1 045309 [0,0,0,0,0,1|3,0,0]=4 166 B8R1.4 NC1=CN=CC(N)=N1 079286 [0,0,0,0,0,1|3,0,0]=4 167 B8R1.4 NC1=NC(Br)=CC=C1 033158 [0,0,0,0,0,1|3,0,0]=4 168 B8R1.4 NC1=NC(Cl)=CN=C1 002753 [0,0,0,0,0,1|3,0,0]=4 169 B8R1.4 NC1=NC(F)=CC=C1 024171 [0,0,0,0,0,1|3,0,0]=4 170 B8R1.4 OC1=CC(Br)=CC=C1 003059 [0,0,0,0,0,1|3,0,0]=4 171 B8R1.4 OC1=CC(Cl)=CC=C1 121000 [0,0,0,0,0,1|3,0,0]=4 172 B8R1.4 OC1=CC(F)=CC=C1 002173 [0,0,0,0,0,1|3,0,0]=4 173 B8R1.4 OC1=CC(I)=CC=C1 001308 [0,0,0,0,0,1|3,0,0]=4 174 B8R1.4 OC1=CC=CC(O)=C1 168800 [0,0,0,0,0,1|3,0,0]=4 175 B8R1.4 OC1=CN=CC(Br)=C1 033254 [0,0,0,0,0,1|3,0,0]=4 176 B8R1.4 OC1=CN=CC(F)=C1 079345 [0,0,0,0,0,1|3,0,0]=4 177 B8R1.4 OC1=NC(Cl)=CC=C1 037405 [0,0,0,0,0,1|3,0,0]=4 178 B8R1.4 OC1=NC(F)=CC=C1 038546 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.4 SC1=CC(Br)=CC=C1 001578 [0,0,0,0,0,1|3,0,0]=4 180 B8R1.4 SC1=CC(Cl)=CC=C1 001581 [0,0,0,0,0,1|3,0,0]=4 181 B8R1.4 [NH3+]C1=CC(Cl)=CC=C1 180293 [0,0,0,0,0,1|3,0,0]=4 182 B8R1.5 BrC1=C(Br)C=CC=C1 001158 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.5 BrC1=C(Br)N=CC=C1 049464 [0,0,0,0,0,1|3,0,0]=4 184 B8R1.5 BrC1=C(I)C=CC=C1 001124 [0,0,0,0,0,1|3,0,0]=4 185 B8R1.5 BrC1=CC=NC=C1Br 049695 [0,0,0,0,0,1|3,0,0]=4 186 B8R1.5 BrC1=NC=CC=C1I 043242 [0,0,0,0,0,1|3,0,0]=4 187 B8R1.5 CC1=C(Br)C=CC=C1 001397 [0,0,0,0,0,1|2,0,0]=3 188 B8R1.5 CC1=C(Br)C=NC=C1 076567 [0,0,0,0,0,1|2,0,0]=3 189 B8R1.5 CC1=C(C)C=CC=C1 094836 [0,0,0,0,0,1|1,0,0]=2 190 B8R1.5 CC1=C(C)C=CC=C1 098283 [0,0,0,0,0,1|1,0,0]=2 191 B8R1.5 CC1=C(C)C=NC=C1 358457 [0,0,0,0,0,1|1,0,0]=2 192 B8R1.5 CC1=C(Cl)C=CN=C1 010406 [0,0,0,0,0,1|2,0,0]=3 193 B8R1.5 CC1=C(Cl)N=CC=C1 048691 [0,0,0,0,0,1|2,0,0]=3 194 B8R1.5 CC1=C(F)C=CC=C1 001423 [0,0,0,0,0,1|2,0,0]=3 195 B8R1.5 CC1=C(F)C=NC=C1 036307 [0,0,0,0,0,1|2,0,0]=3 196 B8R1.5 CC1=C(I)C=CC=C1 001199 [0,0,0,0,0,1|2,0,0]=3 197 B8R1.5 CC1=C(N)C=CC=C1 043316 [0,0,0,0,0,1|2,0,0]=3 198 B8R1.5 CC1=C(S)C=CC=C1 172400 [0,0,0,0,0,1|2,0,0]=3 199 B8R1.5 CC1=C([NH3+])C=CC=C1 180149 [0,0,0,0,0,1|2,0,0]=3 200 B8R1.5 CC1=CC=CC=C1Cl 235783 [0,0,0,0,0,1|2,0,0]=3 201 B8R1.5 CC1=CC=CC=C1O 239923 [0,0,0,0,0,1|2,0,0]=3 202 B8R1.5 CC1=CC=CC=[N+]1C 181294 [0,0,0,0,0,1|2,0,0]=3 203 B8R1.5 CC1=CC=CN=C1Br 036374 [0,0,0,0,0,1|2,0,0]=3 204 B8R1.5 CC1=CC=CN=C1C 477008 [0,0,0,0,0,1|1,0,0]=2 205 B8R1.5 CC1=CC=CN=C1F 001764 [0,0,0,0,0,1|2,0,0]=3 206 B8R1.5 CC1=CC=CN=C1N 032515 [0,0,0,0,0,1|2,0,0]=3 207 B8R1.5 CC1=CC=CNC1=O 077668 [0,0,0,0,0,1|2,0,0]=3 208 B8R1.5 CC1=CN=CC=C1N 045002 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.5 CC1=NC=CC=C1Br 036242 [0,0,0,0,0,1|2,0,0]=3 210 B8R1.5 CC1=NC=CC=C1Cl 047642 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.5 CC1=NC=CC=C1F 092332 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.5 CC1=NC=CC=C1N 036315 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.5 CC1=NC=CC=C1O 044756 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.5 CC1=NC=CN=C1C 009615 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.5 CC1=NC=CN=C1Cl 077109 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.5 CC1=[N+]([O-])C=CC=C1 037831 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.5 CN1C=CC=CC1=O 233629 [0,0,0,0,0,1|3,0,0]=4 218 B8R1.5 C[N+]1=C(Br)C=CC=C1 182517 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.5 C[N+]1=C(Cl)C=CC=C1 067321 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.5 C[N+]1=CC=CN=C1N 181331 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.5 ClC1=C(Br)C=CC=C1 001103 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.5 ClC1=C(Br)C=CC=N1 045198 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.5 ClC1=C(Cl)C=NC=C1 033115 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.5 ClC1=C(I)C=CC=C1 001149 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.5 ClC1=C(I)C=CC=N1 035857 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.5 ClC1=CC=CC=C1Cl 216310 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.5 ClC1=CC=CN=C1Br 067340 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.5 ClC1=CC=CN=C1Cl 037323 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.5 ClC1=NC=NC=C1Br 079813 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.5 FC1=C(Br)C=CC=C1 001121 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.5 FC1=C(Br)C=CN=C1 079196 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.5 FC1=C(Cl)C=CC=C1 001145 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.5 FC1=C(F)C=CC=C1 001169 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.5 FC1=C(F)N=CC=C1 033562 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.5 FC1=C(I)C=CC=C1 001182 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.5 FC1=C(S)C=CC=C1 003237 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.5 FC1=CC=CN=C1Br 033268 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.5 FC1=CC=CN=C1Cl 013882 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.5 FC1=CN=CC=C1Cl 045234 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.5 FC1=NC=CC=C1Br 016228 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.5 FC1=NC=CC=C1Cl 034858 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.5 FC1=NC=CC=C1I 036278 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.5 IC1=C(I)C=CC=C1 001039 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.5 NC1=C(Br)C=CC=C1 005347 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.5 NC1=C(Cl)C=CC=C1 097866 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.5 NC1=C(Cl)C=NC=C1 012738 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.5 NC1=C(F)C=CC=C1 001430 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.5 NC1=C(I)C=CC=C1 001038 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.5 NC1=C(I)C=CC=N1 043682 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.5 NC1=C(N)C=CC=C1 094521 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.5 NC1=C(N)C=NC=C1 043674 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.5 NC1=C(O)C=CC=C1 094977 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.5 NC1=C(O)C=CN=C1 012737 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.5 NC1=C(S)C=CC=C1 002470 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.5 NC1=CC=CN=C1Br 064879 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.5 NC1=CC=CN=C1Cl 045182 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.5 NC1=CC=CN=C1F 033249 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.5 NC1=CC=CN=C1N 013506 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.5 NC1=CC=CN=C1O 047643 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.5 NC1=CC=NC=C1Br 064869 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.5 NC1=CC=NC=C1F 045062 [0,0,0,0,0,1|3,0,0]=4 262 B8R1.5 NC1=CC=NC=C1I 046498 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.5 NC1=CN=CN=C1Cl 077408 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.5 NC1=CN=CN=C1N 049440 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.5 NC1=NC=CC=C1Br 049777 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.5 NC1=NC=CC=C1F 045834 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.5 NC1=NC=CC=C1O 045183 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.5 OC1=C(Br)C=CC=C1 008838 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.5 OC1=C(F)C=CC=C1 001290 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.5 OC1=C(I)C=CC=C1 033689 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.5 OC1=C(S)C=CC=C1 008733 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.5 OC1=CC=CC=C1Cl 242866 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.5 OC1=CC=CC=C1O 005090 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.5 OC1=CC=CN=C1Br 045186 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.5 OC1=CC=CN=C1Cl 045045 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.5 OC1=CC=CN=C1F 043791 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.5 OC1=CC=CN=C1O 045191 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.5 OC1=CC=CNC1=S 180068 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.5 SC1=C(Br)C=CC=C1 001577 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.5 SC1=C(Cl)C=CC=C1 001580 [0,0,0,0,0,1|3,0,0]=4 281 B5R0.1 CC(C)=CC=O 386384 [1,0,1,0,0,0|0,1,1]=4 282 B5R0.1 CC(C)=CCBr 053316 [1,0,1,0,0,0|2,0,0]=4 283 B5R0.1 CC(C)=CCCl 349314 [1,0,1,0,0,0|2,0,0]=4 284 B5R0.1 CC(C)=CCO 358414 [1,0,1,0,0,0|2,0,0]=4 285 B5R0.2 CC\C=C\C=O 466581 [1,0,1,0,0,0|1,0,1]=4 286 B5R0.2 C\C=C\C=C\C 046824 [1,0,1,0,0,0|0,0,0]=2 287 B5R0.2 C\C=C\OCC 103024 [1,0,1,0,0,0|0,1,1]=4 288 B5R0.3 C=CC(=O)OC 520477 [1,0,1,0,0,0|2,0,0]=4 289 B5R0.3 C\C=C(/C)C=O 245796 [1,0,1,0,0,0|0,1,0]=3 290 B5R0.5 C=C(C)C(=C)C 104405 [1,0,1,0,0,0|0,0,0]=2 291 B5R0.5 C=C(C)C(=O)Cl 152770 [1,0,1,0,0,0|1,1,0]=4 292 B5R0.5 C=C(C)C(=O)O 098014 [1,0,1,0,0,0|1,1,0]=4 293 B5R0.5 C=C(C)C(=O)[O-] 461655 [1,0,1,0,0,0|1,1,0]=4 294 B5R0.5 C=C(C)C(C)=O 155400 [1,0,1,0,0,0|0,1,0]=3 295 B5R0.5 C=C(C)C(N)=O 098987 [1,0,1,0,0,0|1,1,0]=4 296 B5R0.5 CC(=O)C(C)=O 099488 [1,0,1,0,0,0|1,1,0]=4 297 B5R0.5 CC(C)=C(C)C 358426 [1,0,1,0,0,0|0,0,2]=4 298 B5R1.1 C1=CNC=C1 034290 [2,0,0,0,0,0|1,0,0]=3 299 B5R1.1 C1=CNC=N1 021690 [2,0,0,0,0,0|2,0,0]=4 300 B5R1.1 C1=CNC=N1 104823 [2,0,0,0,0,0|2,0,0]=4 301 B5R1.1 C1=CNC=N1 222516 [2,0,0,0,0,0|2,0,0]=4 302 B5R1.1 C1=CNN=C1 032730 [2,0,0,0,0,0|2,0,0]=4 303 B5R1.1 C1=COC=C1 098439 [2,0,0,0,0,0|0,1,0]=3 304 B5R1.1 C1=COC=N1 091888 [2,0,0,0,0,0|1,1,0]=4 305 B5R1.1 C1=CON=C1 076552 [2,0,0,0,0,0|1,1,0]=4 306 B5R1.1 C1=CSC=C1 032744 [2,0,0,0,0,0|0,0,0]=2 307 B5R1.1 C1=CSC=N1 002766 [2,0,0,0,0,0|1,0,0]=3 308 B5R1.1 C1=CSN=C1 046382 [2,0,0,0,0,0|1,0,0]=3 309 B7R0.10 C\C=C(/C)C(=O)OC 099352 [0,1,1,0,0,0|0,1,1]=4 310 B7R0.1 CC\C=C\C=C\C=O 242611 [0,1,1,0,0,0|2,0,0]=4 311 B7R0.4 C\C=C\C=C\C(=O)O 104773 [0,1,1,0,0,0|2,0,0]=4 312 B7R1.1 CCC1=CC=CN1 002567 [1,1,0,0,0,0|2,0,0]=4 313 B7R1.1 CCC1=CC=CS1 001177 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.1 CCC1=CSC=C1 006141 [1,1,0,0,0,0|0,0,0]=2 315 B7R1.1 CCN1C=CC=C1 002566 [1,1,0,0,0,0|2,0,0]=4 316 B7R1.1 CCN1C=CN=C1 078976 [1,1,0,0,0,0|2,0,0]=4 317 B7R1.1 COC1=CSC=C1 013627 [1,1,0,0,0,0|0,0,0]=2 318 B7R1.1 ClCC1=CNC=N1 016135 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.1 ClCC1=CSC=N1 013925 [1,1,0,0,0,0|1,0,0]=3 320 B7R1.1 N#CC1=CSC=C1 049749 [1,1,0,0,0,0|0,0,1]=3 321 B7R1.1 NCC1=CC=CO1 358202 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.1 NCC1=CC=CS1 092186 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.1 NCC1=CN=CO1 076442 [1,1,0,0,0,0|2,0,0]=4 324 B7R1.1 NCC1=COC=N1 219245 [1,1,0,0,0,0|1,1,0]=4 325 B7R1.1 NCC1=NNC=C1 043021 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.1 O=CC1=CSC=C1 045073 [1,1,0,0,0,0|0,0,1]=3 327 B7R1.1 O=CC1=CSC=N1 016171 [1,1,0,0,0,0|1,0,1]=4 328 B7R1.1 OCC1=CC=CO1 143000 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.1 OCC1=CC=CS1 208652 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.1 OCC1=CN=CS1 016175 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.1 OCC1=CNC=N1 016121 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.1 OCC1=CNC=N1 067734 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.1 OCC1=COC=C1 092657 [1,1,0,0,0,0|0,1,0]=3 334 B7R1.1 OCC1=CSC=C1 067714 [1,1,0,0,0,0|0,0,0]=2 335 B7R1.1 OCC1=CSC=N1 016174 [1,1,0,0,0,0|1,0,0]=3 336 B7R1.1 SCC1=CC=CO1 002796 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.1 SCC1=CC=CS1 104865 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.2 BrC1=CSC(Br)=N1 016251 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.2 CC1=CC(=O)CC1 078668 [1,1,0,0,0,0|1,0,1]=4 340 B7R1.2 CC1=CC(Br)=CS1 022016 [1,1,0,0,0,0|1,0,0]=3 341 B7R1.2 CC1=CC(Br)=NN1 079115 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.2 CC1=CC(C)=NN1 037857 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.2 CC1=CC(C)=NO1 023218 [1,1,0,0,0,0|1,1,0]=4 344 B7R1.2 CC1=CC(N)=NN1 005985 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.2 CC1=CC(N)=NO1 227902 [1,1,0,0,0,0|2,0,0]=4 346 B7R1.2 CC1=CC=C(Br)S1 024230 [1,1,0,0,0,0|2,0,0]=4 347 B7R1.2 CC1=CC=C(C)N1 236653 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.2 CC1=CC=C(C)S1 002791 [1,1,0,0,0,0|2,0,0]=4 349 B7R1.2 CC1=CC=C(I)S1 002582 [1,1,0,0,0,0|2,0,0]=4 350 B7R1.2 CC1=CCC(=O)O1 098871 [1,1,0,0,0,0|2,0,0]=4 351 B7R1.2 CC1=CCC(=O)O1 107050 [1,1,0,0,0,0|2,0,0]=4 352 B7R1.2 CC1=CN=C(Br)S1 067363 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.2 CC1=CN=C(N)S1 011366 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.2 CC1=CNC(Br)=N1 222056 [1,1,0,0,0,0|2,0,0]=4 355 B7R1.2 CC1=CNC(C)=N1 078094 [1,1,0,0,0,0|2,0,0]=4 356 B7R1.2 CC1=COC(N)=N1 016110 [1,1,0,0,0,0|1,1,0]=4 357 B7R1.2 CC1=CSC(Br)=N1 016134 [1,1,0,0,0,0|1,0,0]=3 358 B7R1.2 CC1=CSC(C)=N1 002760 [1,1,0,0,0,0|1,0,0]=3 359 B7R1.2 CC1=CSC(N)=N1 023295 [1,1,0,0,0,0|1,0,0]=3 360 B7R1.2 CC1=NN(C)C=C1 038245 [1,1,0,0,0,0|2,0,0]=4 361 B7R1.2 CC1=NSC(N)=C1 021671 [1,1,0,0,0,0|1,0,0]=3 362 B7R1.2 CC1=NSC(N)=N1 009666 [1,1,0,0,0,0|2,0,0]=4 363 B7R1.2 ClC1=CSC(Cl)=N1 079363 [1,1,0,0,0,0|2,0,0]=4 364 B7R1.2 NC1=CSC(N)=N1 223229 [1,1,0,0,0,0|2,0,0]=4 365 B7R1.2 NC1=NC(Br)=CS1 076229 [1,1,0,0,0,0|2,0,0]=4 366 B7R1.2 NC1=NC(O)=CS1 319245 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.2 BrCC1=CC(Br)=CC=C1 001367 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.2 BrCC1=CC(I)=CC=C1 018739 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.2 C#CC1=CC(C)=CC=C1 040032 [0,1,0,0,0,1|1,0,1]=4 370 B9R1.2 C(=O)C1=CC(C)=CC=C1 001390 [0,1,0,0,0,1|1,0,1]=4 371 B9R1.2 CC1=CC(NN)=CC=C1 033721 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.2 CC1=CC=CC(C#N)=C1 035881 [0,1,0,0,0,1|1,0,1]=4 373 B9R1.2 CC1=CC=CC(C#N)=N1 077340 [0,1,0,0,0,1|1,0,1]=4 374 B9R1.2 CC1=CC=CC(C=O)=N1 021900 [0,1,0,0,0,1|1,0,1]=4 375 B9R1.2 CC1=CC=CC(CBr)=C1 067812 [0,1,0,0,0,1|1,0,0]=3 376 B9R1.2 CC1=CC=CC(CN)=C1 008878 [0,1,0,0,0,1|1,0,0]=3 377 B9R1.2 CC1=CC=CC(CO)=C1 102453 [0,1,0,0,0,1|1,0,0]=3 378 B9R1.2 CC1=CC=CC(CO)=N1 092614 [0,1,0,0,0,1|1,0,0]=3 379 B9R1.2 CC1=CN=CC(C#N)=C1 024699 [0,1,0,0,0,1|1,0,1]=4 380 B9R1.2 CC1=NC(NN)=CC=C1 038575 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.2 CCC1=CC(I)=CC=C1 037712 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.2 CCC1=CC=CC(Br)=C1 024168 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.2 CCC1=CC=CC(N)=C1 043276 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.2 CCC1=CC=CC(N)=N1 095025 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.2 CNC1=CC(Cl)=CC=C1 009649 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.2 CNC1=CC(F)=CC=C1 019287 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.2 CNC1=CC=CC(Br)=C1 045857 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.2 CNC1=CN=CC(Cl)=N1 043527 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.2 COC1=CC(Br)=CC=C1 003058 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.2 COC1=CC(F)=CC=C1 002695 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.2 COC1=CC(I)=CC=C1 001303 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.2 COC1=CC(O)=CC=C1 235567 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.2 COC1=CC=CC(C)=C1 342147 [0,1,0,0,0,1|1,0,0]=3 394 B9R1.2 COC1=CC=CC(Cl)=C1 118300 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.2 COC1=CC=CC(N)=C1 043402 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.2 COC1=CC=CC(N)=N1 043829 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.2 COC1=CC=CC(S)=C1 001309 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.2 COC1=CN=CC(I)=C1 038147 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.2 COC1=CN=CC(N)=C1 048102 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.2 COC1=NC(Br)=CC=C1 045063 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.2 COC1=NC(C)=CC=C1 040046 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.2 COC1=NC(Cl)=CC=C1 045005 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.2 CSC1=CC(Br)=CC=C1 003661 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.2 CSC1=CC(C)=CC=C1 019356 [0,1,0,0,0,1|1,0,0]=3 405 B9R1.2 CSC1=CC(Cl)=CC=C1 003553 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.2 CSC1=CC(F)=CC=C1 019273 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.2 CSC1=CC(I)=CC=C1 094459 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.2 CSC1=CC([Mg+])=CC=C1 397737 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.2 CSC1=CC=CC(N)=C1 018141 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.2 ClC1=CC=CC(CBr)=C1 024563 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.2 FC1=CC=CC(CBr)=C1 002171 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.2 FC1=CC=CC(CCl)=C1 001632 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.2 FC1=CC=CC(CS)=C1 024342 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 NC1=CC=CC(CO)=C1 008828 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.2 NCC1=CC(Br)=CC=C1 075951 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.2 NCC1=CC(Cl)=CC=C1 008869 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.2 NCC1=CC(F)=CC=C1 006198 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.2 NCC1=CC=CC(Br)=C1 242605 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.2 NCC1=CC=CC(I)=C1 079620 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.2 NCC1=CC=CC(O)=C1 023455 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.2 NCC1=CN=CC(Cl)=C1 091239 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 NCC1=NC(Br)=CC=C1 215138 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.2 OCC1=CC(Br)=CC=C1 001365 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.2 OCC1=CC(Br)=CN=C1 077270 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.2 OCC1=CC(Cl)=CC=C1 001376 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.2 OCC1=CC(F)=CC=C1 002170 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.2 OCC1=NC(Cl)=CC=C1 067703 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.2 SCC1=CC(Br)=CC=C1 024349 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.3 CC1=C(Br)C(Cl)=CC=C1 018258 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.3 CC1=C(C)C(F)=CC=C1 002577 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.3 CC1=C(C)C(I)=CC=C1 001050 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.3 CC1=C(C)C(O)=CC=C1 358211 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.3 CC1=C(Cl)C(Br)=CC=C1 024558 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.3 CC1=C(Cl)C(F)=CC=C1 036297 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.3 CC1=C(Cl)C(I)=CC=C1 219773 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.3 CC1=C(Cl)C(N)=CC=C1 076000 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.3 CC1=C(F)C(Br)=CC=C1 032928 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.3 CC1=C(F)C(F)=CC=C1 005238 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.3 CC1=C(F)C(I)=CC=C1 211591 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.3 CC1=C(F)C(O)=CC=C1 036232 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.3 CC1=C(I)C(F)=CC=C1 092268 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.3 CC1=C(N)C(Br)=CC=C1 013450 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.3 CC1=C(N)C(N)=CC=C1 064679 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.3 CC1=C(O)C(Cl)=CC=C1 018405 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.3 CC1=CC=CC(Br)=C1C 018326 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.3 CC1=CC=CC(C)=C1Br 018325 [0,1,0,0,0,1|1,0,0]=3 447 B9R1.3 CC1=CC=CC(C)=C1Cl 018459 [0,1,0,0,0,1|1,0,0]=3 448 B9R1.3 CC1=CC=CC(C)=C1F 003242 [0,1,0,0,0,1|1,0,0]=3 449 B9R1.3 CC1=CC=CC(C)=C1I 002976 [0,1,0,0,0,1|1,0,0]=3 450 B9R1.3 CC1=CC=CC(C)=C1N 033243 [0,1,0,0,0,1|1,0,0]=3 451 B9R1.3 CC1=CC=CC(C)=C1O 078941 [0,1,0,0,0,1|1,0,0]=3 452 B9R1.3 CC1=CC=CC(C)=C1S 001346 [0,1,0,0,0,1|1,0,0]=3 453 B9R1.3 CC1=CC=CC(C)=[N+]1[O-] 225470 [0,1,0,0,0,1|1,0,0]=3 454 B9R1.3 CC1=CC=CC(Cl)=C1I 018383 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.3 CC1=CC=CC(Cl)=C1N 005545 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.3 CC1=CC=CC(F)=C1N 012747 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.3 CC1=CC=CC(I)=C1Br 038627 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.3 CC1=CC=CC(N)=C1Br 038626 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.3 CC1=CC=CC(N)=C1C 098346 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.3 CC1=CC=CC(N)=C1F 033667 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.3 CC1=CC=CC(N)=C1I 038629 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.3 CC1=CC=CC(N)=C1O 076522 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.34 CC1=CC(=O)C=C(C)O1 069041 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.34 CC1=CC(=O)OC(C)=C1 045789 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.34 CC1=CC(=S)OC(C)=C1 180125 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.34 CC1=CC(Br)=CC(Br)=C1 037721 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.34 CC1=CC(Br)=CC(C)=N1 077942 [0,1,0,0,0,1|1,0,0]=3 468 B9R1.34 CC1=CC(Br)=CC(F)=C1 021361 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.34 CC1=CC(C)=CC(Br)=C1 008025 [0,1,0,0,0,1|1,0,0]=3 470 B9R1.34 CC1=CC(C)=CC(C)=C1 095021 [0,1,0,0,0,1|1,0,0]=3 471 B9R1.34 CC1=CC(C)=CC(Cl)=C1 018463 [0,1,0,0,0,1|1,0,0]=3 472 B9R1.34 CC1=CC(C)=CC(F)=C1 002576 [0,1,0,0,0,1|1,0,0]=3 473 B9R1.34 CC1=CC(C)=CC(I)=C1 002953 [0,1,0,0,0,1|1,0,0]=3 474 B9R1.34 CC1=CC(C)=CC(I)=C1 106112 [0,1,0,0,0,1|1,0,0]=3 475 B9R1.34 CC1=CC(C)=CC(N)=C1 095075 [0,1,0,0,0,1|1,0,0]=3 476 B9R1.34 CC1=CC(C)=CC(O)=C1 214771 [0,1,0,0,0,1|1,0,0]=3 477 B9R1.34 CC1=CC(C)=CC(S)=C1 001348 [0,1,0,0,0,1|1,0,0]=3 478 B9R1.34 CC1=CC(C)=C[N+]([O-])=C1 180054 [0,1,0,0,0,1|1,0,0]=3 479 B9R1.34 CC1=CC(C)=NC(C)=C1 005102 [0,1,0,0,0,1|1,0,0]=3 480 B9R1.34 CC1=CC(C)=NC(C)=C1 102991 [0,1,0,0,0,1|1,0,0]=3 481 B9R1.34 CC1=CC(C)=[O+]C(C)=C1 005450 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.34 CC1=CC(Cl)=CC(Br)=C1 032723 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 047109 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.34 CC1=CC(Cl)=CC(N)=C1 079788 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.34 CC1=CC(Cl)=CC(N)=N1 079721 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.34 CC1=CC(Cl)=NC(C)=C1 037141 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.34 CC1=CC(Cl)=NC(C)=N1 058303 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.34 CC1=CC(F)=CC(Cl)=C1 044238 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.34 CC1=CC(F)=CC(N)=C1 044821 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.34 CC1=CC(I)=CC(F)=C1 069625 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.34 CC1=CC(N)=CC(Br)=C1 038770 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.34 CC1=CC(N)=CC(O)=C1 092274 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.34 CC1=CC(N)=NC(C)=C1 046704 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.34 CC1=CC(N)=NC(C)=N1 233210 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.34 CC1=CC(O)=CC(=O)O1 003638 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.34 CC1=CC(O)=CC(C)=N1 011702 [0,1,0,0,0,1|1,0,0]=3 497 B9R1.34 CC1=CC(O)=CC(O)=C1 005921 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.34 CC1=CC(O)=CC(O)=N1 068449 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.34 CC1=CC(O)=NC(C)=N1 222325 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.69 CC1=C(Br)C=CC(Br)=C1 024524 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.69 CC1=C(Br)C=CC(Br)=N1 012710 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 110800 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 033110 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.69 CC1=C(Br)C=CC(F)=C1 001613 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.69 CC1=C(Br)C=CC(I)=C1 018282 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.69 CC1=C(Br)C=CC(N)=C1 001128 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.69 CC1=C(C)C=C(F)C=C1 002578 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.69 CC1=C(C)C=C(I)C=C1 004948 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.69 CC1=C(C)C=C(N)C=C1 038327 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.69 CC1=C(C)C=C(O)C=C1 094083 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.69 CC1=C(C)C=C(S)C=C1 001347 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.69 CC1=C(C)N=C(N)C=C1 024688 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.69 CC1=C(Cl)C=CC(F)=C1 001598 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.69 CC1=C(Cl)C=CC(N)=C1 013941 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.69 CC1=C(F)C=CC(Br)=C1 001620 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.69 CC1=C(F)C=CC(Cl)=C1 001743 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.69 CC1=C(F)C=CC(Cl)=N1 033259 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.69 CC1=C(F)C=CC(F)=C1 001466 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.69 CC1=C(F)C=CC(N)=C1 006273 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.69 CC1=C(F)C=CC(O)=C1 006284 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.69 CC1=C(I)C=CC(Br)=C1 018284 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.69 CC1=C(I)C=CC(F)=C1 005416 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.69 CC1=C(N)C=CC(Br)=C1 024831 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.69 CC1=C(N)C=CC(Cl)=C1 024872 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.69 CC1=C(N)C=CC(F)=C1 001687 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.69 CC1=C(N)C=CC(I)=C1 005444 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.69 CC1=C(O)C=CC(Cl)=C1 034267 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.69 CC1=C(O)C=CC(F)=C1 006283 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.69 CC1=C(O)C=CC(N)=C1 046721 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.69 CC1=C(O)N=CC(Br)=C1 035850 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.69 CC1=C(S)C=CC(Cl)=C1 023129 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.69 CC1=CC(Br)=C(C)C=C1 019270 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 043875 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.69 CC1=CC(Br)=C(F)C=C1 004234 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.69 CC1=CC(Br)=C(I)C=C1 018283 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.69 CC1=CC(Br)=C(N)C=C1 001127 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.69 CC1=CC(Br)=CC=C1Cl 018264 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.69 CC1=CC(Br)=CC=C1O 018299 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.69 CC1=CC(Br)=CN=C1Br 036398 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.69 CC1=CC(Br)=CN=C1Cl 036246 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.69 CC1=CC(Br)=CN=C1F 012711 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.69 CC1=CC(Br)=CN=C1N 002494 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.69 CC1=CC(C)=C(I)C=C1 001771 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.69 CC1=CC(C)=C(S)C=C1 001344 [0,1,0,0,0,1|1,0,0]=3 545 B9R1.69 CC1=CC(Cl)=C(F)C=C1 009090 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.69 CC1=CC(Cl)=C(N)C=C1 036215 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.69 CC1=CC(Cl)=CC=C1I 018386 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.69 CC1=CC(Cl)=CN=C1Cl 033107 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.69 CC1=CC(Cl)=CN=C1N 033113 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.69 CC1=CC(F)=C(Br)C=C1 002344 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.69 CC1=CC(F)=C(Cl)N=C1 033267 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.69 CC1=CC(F)=C(I)C=C1 013321 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.69 CC1=CC(F)=C(N)C=C1 001686 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.69 CC1=CC(F)=CN=C1Cl 077349 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.69 CC1=CC(I)=C(C)C=C1 003509 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.69 CC1=CC(I)=C(F)C=C1 009207 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.69 CC1=CC(I)=C(I)C=C1 024614 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.69 CC1=CC(I)=CC=C1Cl 077705 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.69 CC1=CC(I)=CC=C1F 005313 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.69 CC1=CC(I)=CN=C1N 033294 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.69 CC1=CC(N)=C(Br)C=C1 032729 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.69 CC1=CC(N)=C(C)C=C1 094616 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.69 CC1=CC(N)=C(Cl)C=C1 033717 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.69 CC1=CC(N)=C(Cl)N=C1 033670 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.69 CC1=CC(N)=C(F)C=C1 021823 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.69 CC1=CC(N)=C(N)C=C1 037872 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.69 CC1=CC(O)=C(Br)C=C1 044749 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.69 CC1=CC(O)=C(Cl)C=C1 044834 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.69 CC1=CC(O)=C(F)C=C1 007901 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.69 CC1=CC(O)=C(N)C=C1 043441 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.69 CC1=CC(O)=C(O)C=C1 424851 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.69 CC1=CC(O)=CC=C1Br 018300 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.69 CC1=CC(O)=CC=C1I 078711 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.69 CC1=CC(O)=CC=C1N 078902 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.69 CC1=CC(O)=CC=C1O 223171 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.69 CC1=CC(S)=C(C)C=C1 001345 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.69 CC1=CC(S)=CC=C1F 023080 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.69 CC1=CC=C(Br)C(C)=C1 018327 [0,1,0,0,0,1|1,0,0]=3 579 B9R1.69 CC1=CC=C(Br)C(Cl)=C1 018263 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 036228 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.69 CC1=CC=C(Br)C(F)=N1 077268 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.69 CC1=CC=C(Br)C=C1C 018328 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.69 CC1=CC=C(C)C(Cl)=C1 094429 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 018261 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.69 CC1=CC=C(Cl)C(Cl)=C1 092496 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.69 CC1=CC=C(Cl)C(F)=C1 013287 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.69 CC1=CC=C(I)C(Cl)=C1 018384 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.69 CC1=CC=C(I)C(N)=C1 064692 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.69 CC1=CC=C(N)C(C)=C1 098336 [0,1,0,0,0,1|1,0,0]=3 590 B9R1.69 CC1=CC=C(N)C(C)=N1 079681 [0,1,0,0,0,1|1,0,0]=3 591 B9R1.69 CC1=CC=C(O)C(Br)=C1 092949 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.69 CC1=CC=C(O)C(C)=C1 208699 [0,1,0,0,0,1|1,0,0]=3 593 B9R1.69 CC1=CC=C(O)C(C)=N1 208702 [0,1,0,0,0,1|1,0,0]=3 594 B9R1.69 CC1=CC=C(O)C(Cl)=C1 018404 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.69 CC1=CC=C(O)C(I)=N1 076967 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.69 CC1=CC=C(O)C(N)=C1 064689 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.69 CC1=CN=C(Br)C(Br)=C1 033109 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.69 CC1=CN=C(C)C(C)=C1 219272 [0,1,0,0,0,1|1,0,0]=3 599 B9R1.69 CC1=CN=C(N)C(Br)=C1 002493 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.69 CC1=CN=C(N)C(Cl)=C1 219357 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.69 CC1=NC(Br)=CC=C1F 033261 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.69 CC1=NC(Br)=CC=C1N 040412 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.69 CC1=NC(Cl)=CC=C1N 040121 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.69 CC1=NC(F)=CC=C1Br 045232 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.69 CC1=NC(N)=CC=C1Br 002495 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.15 BrCC1=C(Br)C=CC=C1 001366 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.15 BrCC1=C(I)C=CC=C1 044924 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.15 C(=O)C1=C(C)C=CC=C1 001389 [0,1,0,0,0,1|1,0,1]=4 609 B9R1.15 CC1=C(N=O)C=CC=C1 099261 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.15 CC1=CC=CC=C1CBr 227715 [0,1,0,0,0,1|1,0,0]=3 611 B9R1.15 CC1=CC=CC=C1CN 227781 [0,1,0,0,0,1|1,0,0]=3 612 B9R1.15 CC1=CC=CN=C1C#N 019458 [0,1,0,0,0,1|1,0,1]=4 613 B9R1.15 CC1=CC=CN=C1CCl 234089 [0,1,0,0,0,1|1,0,0]=3 614 B9R1.15 CC1=CC=CN=C1CN 020197 [0,1,0,0,0,1|1,0,0]=3 615 B9R1.15 CC1=CC=CN=C1NN 061270 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.15 CC1=CC=NC=C1C#N 040036 [0,1,0,0,0,1|1,0,1]=4 617 B9R1.15 CCC1=C(Br)C=CC=C1 018276 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.15 CCC1=C(Cl)C=CC=C1 018372 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.15 CCC1=C(I)C=CC=C1 001197 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.15 CCC1=C(N)C=CC=C1 043275 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.15 CCC1=C(S)C=CC=C1 001289 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.15 CCC1=CC=CC=C1O 240992 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.15 CCC1=CC=NC=C1C 188677 [0,1,0,0,0,1|1,0,0]=3 624 B9R1.15 CCC1=NC=NC=C1F 079955 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.15 CNC1=C(Cl)C=CC=C1 009648 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.15 CNC1=C(F)C=CC=C1 019280 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.15 CNC1=CC=CC=C1N 078664 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.15 CNC1=CC=CC=C1N 220032 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.15 COC1=C(Br)C=CC=C1 002965 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.15 COC1=C(Br)C=NC=C1 210035 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.15 COC1=C(F)C=CC=C1 002694 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.15 COC1=C(I)C=CC=C1 001302 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.15 COC1=C(N)C=CC=C1 043317 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.15 COC1=C(N)C=NC=C1 076885 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.15 COC1=C(S)C=CC=C1 003589 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.15 COC1=CC=CC=C1C 242932 [0,1,0,0,0,1|1,0,0]=3 637 B9R1.15 COC1=CC=CC=C1O 241127 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.15 COC1=CC=CN=C1Br 037013 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.15 COC1=CC=CN=C1N 064878 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.15 COC1=CC=CN=C1O 219308 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.15 COC1=NC=CC=C1F 220022 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.15 COC1=NC=CC=C1I 036267 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.15 CSC1=C(Br)C=CC=C1 001732 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.15 CSC1=C(Cl)C=CC=C1 003552 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.15 CSC1=C(F)C=CC=C1 019279 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.15 CSC1=C(I)C=CC=C1 003738 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.15 CSC1=C(N)C=CC=C1 002979 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.15 CSC1=C(O)C=CC=C1 001770 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.15 ClC1=C(CBr)C=CC=C1 001008 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.15 ClCC1=CC=CC=C1Cl 088365 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.15 FC1=C(CBr)C=CC=C1 006200 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.15 FC1=C(CCl)C=CC=C1 001422 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.15 FC1=C(CS)C=CC=C1 024341 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.15 NC1=CC=CC=C1CO 036679 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.15 NCC1=C(Cl)C=CC=C1 008868 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.15 NCC1=C(F)C=CC=C1 006197 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.15 NCC1=C(O)C=CC=C1 023454 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.15 NCC1=CC=CC=C1Br 065390 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.15 NCC1=CC=CC=C1N 076007 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.15 OC1=C(CBr)N=CC=C1 431436 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.15 OCC1=C(Cl)C=CC=C1 001375 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.15 OCC1=C(F)C=CC=C1 006196 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.15 OCC1=C(F)C=NC=C1 237155 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.15 OCC1=C(S)C=CC=C1 001239 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.15 OCC1=CC=CC=C1I 093337 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.15 OCC1=CC=CC=C1O 078974 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.15 OCC1=CC=CN=C1F 036274 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.15 OCC1=NC=CC=C1O 092366 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.15 SCC1=C(Br)C=CC=C1 024350 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.22 CC1=CC(CN)=C(C)O1 044303 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.27 CC1=NOC(C)=C1CO 033330 [0,2,0,0,0,0|1,1,0]=4 672 B9R1.41 CC(=O)C1=CC=CN1C 002488 [0,2,0,0,0,0|2,0,0]=4 673 B9R1.41 CC1=CSC=C1C(=O)O 224039 [0,2,0,0,0,0|0,0,1]=3 674 B9R1.132 CC1=CC=C(C#N)N1C 242339 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.23 CC1=C(C)SC(C=O)=C1 024276 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.37 CC1=C(C)C(=O)OC1=O 078937 [0,2,0,0,0,0|0,1,0]=3 677 B7R1.3 CC1=CC=CC=C1 035922 [0,0,1,1,0,0|1,0,1]=4 678 B7R1.3 CC1=CC=CC=C1 046885 [0,0,1,1,0,0|1,0,1]=4 679 B7R1.3 CC1=CC=CC=C1 099899 [0,0,1,1,0,0|1,0,1]=4 680 B7R1.3 CC1=CC=CC=C1 102149 [0,0,1,1,0,0|1,0,1]=4 681 B7R1.3 CC1=CC=CN=C1 235657 [0,0,1,1,0,0|1,0,1]=4 682 B7R1.3 CC1=CN=CN=C1 040003 [0,0,1,1,0,0|2,0,0]=4 683 B7R1.24 C1=CC=CCC=C1 242090 [0,0,1,1,0,0|1,0,1]=4