0 B9R1.69 BrC1=CN=C(Br)C(I)=C1 100728 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 BrC1=CN=C(I)C(Br)=C1 101631 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=CC(O)=CC=C1Br 16031 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.69 ClC1=CC(Cl)=NC=C1Br 102389 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 ClC1=CC(Cl)=NC=C1I 100067 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 ClC1=CC=C(Cl)C(I)=N1 100065 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 ClC1=CC=C(I)C(Cl)=N1 100069 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 ClC1=CN=C(Cl)C=C1I 100087 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 ClC1=CN=C(I)C(Br)=C1 100741 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 ClC1=NC=C(Br)C(I)=C1 100736 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 FC1=CC(Cl)=C(F)N=C1 102002 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 FC1=CC(Cl)=C(I)N=C1 102074 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 FC1=CC(Cl)=CN=C1Cl 102064 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 FC1=CC(F)=NC=C1I 102011 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 FC1=CC(I)=CC=C1I 102040 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 FC1=CC(I)=CN=C1F 101041 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 FC1=CC=C(Cl)C(F)=N1 100266 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 FC1=CC=C(I)C(F)=N1 100247 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 FC1=CN=C(F)C(F)=C1 102010 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 FC1=CN=C(F)C=C1Cl 102006 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 FC1=CN=C(F)C=C1I 101042 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 FC1=NC=C(Cl)C=C1Cl 102084 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 NC1=C(Br)C=CC(F)=N1 101265 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 NC1=C(S)C=CC(Cl)=C1 519 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.69 NC1=NC(F)=CC=C1Cl 101254 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 O=C1C=C(Cl)NC=C1Cl 100085 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 O=C1NC=C(Cl)C=C1F 101039 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 OC1=CC=C(F)N=C1F 100255 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.3 ClC1=CC=C(I)N=C1 101633 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.3 FC1=CN=C(F)C=C1 102007 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.4 BrC1=CC(I)=CN=C1 101632 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.4 CC1=CC=CC(I)=N1 100813 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.4 CC1=CC=C[N+]([O-])=C1 4675 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.4 CC1=CC=NC(S)=N1 20214 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.4 ClC1=CC(I)=CC=N1 100082 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.4 ClC1=CC=NC(Cl)=C1 100096 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.4 FC1=CC=NC(F)=C1 100267 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.4 FC1=CN=CC(F)=C1 101992 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.4 FC1=NC=CC(Cl)=C1 102387 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.4 FC1=NC=CC(I)=C1 101074 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.4 NC1=CC(Cl)=CC=N1 101260 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.4 NC1=CC(F)=CC=C1 20479 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.4 NC1=CC=CC(N)=C1 21487 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.4 NC1=NC(F)=CC=C1 101259 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.5 BrC1=C(I)C=NC=C1 100763 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.5 BrC1=CC=CN=C1I 101630 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.5 CC1=CC=CN=C1O 20633 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.5 ClC1=CC=CN=C1I 101634 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 ClC1=CC=NC=C1Cl 100094 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 ClC1=NC=CC=C1I 100075 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.5 FC1=C(Cl)C=CN=C1 102021 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.5 FC1=C(I)C=CC=C1 102030 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.5 FC1=CC=CN=C1Cl 102016 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.5 FC1=CC=CN=C1F 102003 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.5 FC1=NC=CC=C1Cl 101990 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.5 FC1=NC=CC=C1I 102077 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.5 NC1=CC=CC=C1N 22078 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.5 NC1=CC=CN=C1Cl 20953 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.22 BrC1=CC(Br)=C(Br)C(Br)=C1 101141 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.22 CC1=C(Cl)C=C(I)C=C1Cl 101298 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.22 CC1=CC(C)=C(N)C(C)=C1 20775 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.22 CC1=CC(C)=[N+]([O-])C(C)=C1 14925 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.22 CC1=CC(Cl)=CC(C)=[N+]1[O-] 14922 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.22 ClC1=CC(Cl)=C(Cl)C(Cl)=C1 101162 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.22 ClC1=CC(Cl)=C(I)C(Cl)=C1 101076 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.22 FC1=C(Br)C(Br)=CC(Br)=C1 101133 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.22 FC1=C(I)C(Br)=CC(Br)=C1 101132 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.22 FC1=CC(F)=C(I)C(F)=C1 101142 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.22 FC1=CC(I)=CC(I)=C1F 102031 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.22 NC1=C(Br)C=C(Br)C=C1Br 10711 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.25 CC1=CC(C)=C(C#N)C=N1 20428 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.25 CC1=CC=C(CCl)C(C)=C1 16098 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.30 CC1=C(C#N)C=[N+]([O-])C=C1 15766 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.30 CC1=C(CO)C=[N+]([O-])C=C1 15764 [0,1,0,0,0,0|1,0,1]=3 76 B10R1.30 CNC1=NC(F)=CC=C1Cl 102382 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.30 O=CC1=CC(F)=CC=C1F 102033 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.30 OCC1=CC(F)=CC=C1F 102036 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.118 BrC1=CC(Br)=C(Br)C=C1Br 1118 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.118 CC1=CC(Br)=C(C)C=C1Br 11457 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.118 CC1=CC(Cl)=C(C)C=C1Cl 11456 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.118 ClC1=CC(Cl)=C(Br)C=C1Br 101326 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.118 FC1=CC(F)=C(I)C=C1I 102053 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.118 FC1=CC(I)=C(F)C=C1I 102973 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.119 FC1=C(Cl)C(Br)=CC=C1Cl 100893 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.119 FC1=C(F)C(Br)=CC=C1Br 102755 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.119 FC1=C(F)C(I)=CC=C1I 102062 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.119 FC1=CC=C(F)C(I)=C1I 102063 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.119 FC1=CC=C(I)C(F)=C1Br 102756 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.119 FC1=CC=C(I)C(F)=C1F 100894 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.119 FC1=CC=C(I)C(F)=C1I 102058 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.119 NC1=C(Br)C(N)=C(Br)C=C1 11437 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.176 COC1=CC=C(Br)C(C)=C1 16780 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.176 COC1=CC=C(Cl)C(C)=C1 16021 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.176 O=CC1=CC=C(Cl)C(Cl)=C1 15845 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.50 CC1=NNC(C)=C1C 16723 [0,0,0,0,1,0|3,0,0]=4 98 B7R0.6 CC(C)=CCC(=O)O 16792 [1,0,1,0,0,0|1,0,1]=4 99 B7R0.6 CC(C)\C=C\C(=O)O 16790 [1,0,1,0,0,0|1,0,1]=4 100 B7R1.3 IC1=CC=CC=C1 102614 [2,0,0,0,0,0|1,0,0]=3 101 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.1 FC1=CC=C(CBr)C=C1 102290 [1,1,0,0,0,0|1,0,0]=3 103 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [1,1,0,0,0,0|1,0,1]=4 104 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [1,1,0,0,0,0|0,0,1]=3 105 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [1,1,0,0,0,0|1,0,1]=4 106 B9R1.2 CC1=CC=NC(C#N)=C1 1228 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.2 CC1=NC(C#N)=CC=C1 1226 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.2 CNC1=CC=CC(F)=N1 101262 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.2 COC1=CC=CC(F)=N1 102386 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [1,1,0,0,0,0|1,0,0]=3 111 B9R1.2 NCC1=CC=CC(N)=C1 102876 [1,1,0,0,0,0|1,0,0]=3 112 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [1,1,0,0,0,0|1,0,0]=3 113 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [1,1,0,0,0,0|0,0,0]=2 114 B9R1.3 CC1=C(Br)C=CC=C1Br 100362 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.3 CC1=C(N)C=CC=C1N 20955 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.3 ClC1=C(Br)C=CC=C1Br 101220 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.3 ClC1=CC=CC(Cl)=C1I 101146 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.3 FC1=C(Br)C(I)=CC=C1 101307 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.3 FC1=C(I)C=CC=C1I 102043 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.3 FC1=CC=CC(F)=C1I 102026 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.3 FC1=CC=CC(I)=C1F 102027 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.3 FC1=CC=CC(I)=C1I 102042 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.34 CC1=CC(=S)C=C(C)O1 13645 [1,1,0,0,0,0|1,1,0]=4 124 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 101956 [1,1,0,0,0,0|1,0,0]=3 125 B9R1.34 CC1=CC(O)=NC(O)=C1 15779 [1,1,0,0,0,0|1,0,0]=3 126 B9R1.34 ClC1=CC(Br)=CC(Br)=C1 101137 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.34 FC1=CC(F)=CC(I)=C1 100924 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.34 FC1=CC(I)=CC(I)=C1 100928 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.15 CC1=C(CO)C=NC=C1 15752 [1,1,0,0,0,0|1,0,0]=3 130 B9R1.15 CC1=CC=CC=C1CCl 16097 [1,1,0,0,0,0|0,0,0]=2 131 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,1,0,0,0,0|1,0,0]=3 132 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,1,0,0,0,0|1,0,1]=4 133 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,1,0,0,0,0|1,0,1]=4 134 B9R1.23 CC1=CC(CO)=NN1C 19863 [0,1,0,0,1,0|2,0,0]=4 135 B11R1.499 CC1=C(O)C(=O)C(O)=CC=C1 19619 [0,1,0,0,0,1|1,0,0]=3 136 B11R1.8 COC1=CC(C)=CC(C)=C1C 102020 [0,2,0,0,0,0|1,0,0]=3 137 B11R1.14 COC1=CC(C)=C(Br)C(C)=C1 16022 [0,2,0,0,0,0|1,0,0]=3 138 B11R1.14 COC1=CC(C)=[N+]([O-])C(C)=C1 14923 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.32 CC1=C(C)C(C)=C(C)C(Br)=C1 16025 [0,2,0,0,0,0|1,0,0]=3 140 B11R1.32 CC1=CC(C)=C(C)C(Br)=C1C 16026 [0,2,0,0,0,0|1,0,0]=3 141 B11R1.32 CC1=CC(C)=C(C)C(C)=C1Br 16019 [0,2,0,0,0,0|1,0,0]=3 142 B11R1.32 OC1=C(F)C(F)=C(Br)C=C1F 101168 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.464 CC1=C(C#N)C(O)=NC(O)=C1 15439 [0,2,0,0,0,0|1,0,1]=4 144 B11R1.464 CC1=C(C#N)C([O-])=NC(O)=C1 15744 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.464 CC1=C(C#N)C([O-])=NC(O)=C1 15759 [0,2,0,0,0,0|1,0,1]=4 146 B11R1.81 CNCC1=CC=C(Cl)C=C1O 19425 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=C1 16799 [0,2,0,0,0,0|1,0,1]=4 148 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 15222 [0,2,0,0,0,0|1,0,1]=4 149 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl 101155 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.166 O=C(O)C1=CC=C(O)C=C1F 101158 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.277 COC1=C(C)C=C(Br)C(C)=C1 16020 [0,2,0,0,0,0|1,0,0]=3 152 B11R1.278 CC1=C(C)C(C)=C(C=O)C=C1 16018 [0,2,0,0,0,0|0,0,1]=3 153 B11R1.278 CC1=C(O)C=CC(N=O)=C1O 897 [0,2,0,0,0,0|1,0,1]=4 154 B11R1.278 COC1=CC=C(Br)C(C)=C1C 16023 [0,2,0,0,0,0|1,0,0]=3 155 B11R1.278 O=CC1=C(O)C(O)=C(O)C=C1 15492 [0,2,0,0,0,0|1,0,1]=4 156 B11R1.279 C(=O)C1=CC(Cl)=C(OC)C=C1 21820 [0,2,0,0,0,0|1,0,1]=4 157 B11R1.279 CC1=CC(N=O)=CC=C1N=O 10924 [0,2,0,0,0,0|1,0,1]=4 158 B11R1.279 COC1=CC=C(C=O)C=C1O 15839 [0,2,0,0,0,0|1,0,1]=4 159 B11R1.167 CC1=C([N+](=O)[O-])C=C(Cl)C=C1 11008 [0,2,0,0,0,0|2,0,0]=4 160 B11R1.167 CC1=CC=C(C)C(C(=O)O)=C1 16548 [0,2,0,0,0,0|1,0,1]=4 161 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 101186 [0,2,0,0,0,0|1,0,1]=4 162 B11R1.167 O=C(O)C1=CC(O)=CC=C1Cl 101156 [0,2,0,0,0,0|1,0,1]=4 163 B11R1.167 O=C(O)C1=CC(O)=CC=C1F 101189 [0,2,0,0,0,0|1,0,1]=4 164 B11R1.280 COC1=CC(CN)=CC=C1O 15578 [0,2,0,0,0,0|2,0,0]=4 165 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 14449 [0,2,0,0,0,0|1,0,1]=4 166 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 21496 [0,2,0,0,0,0|2,0,0]=4 167 B11R1.192 O\N=C/C1=CC(Cl)=C(Cl)C=C1 10903 [0,2,0,0,0,0|2,0,0]=4 168 B9R1.7 C(=N/O)C1=CC=C(C)O1 19588 [0,0,1,1,0,0|2,0,0]=4 169 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [0,0,1,1,0,0|1,0,1]=4 170 B9R2.50 C1=CC=C2CCC2=C1 16437 [1,0,0,1,0,0|0,0,0]=2 171 B9R2.50 C1=CCC2=C(C1)CC2 16438 [1,0,0,1,0,0|0,0,2]=4 172 B11R2.610 CC1=CC(C)=C2CCC2=C1 16692 [0,1,0,1,0,0|1,0,0]=3 173 B11R2.36 BrC1=CC=C2CC=CC2=C1 19937 [0,1,0,1,0,0|1,0,1]=4 174 B11R2.363 CC1=CC=C2C(=O)CC2=C1 16221 [0,1,0,1,0,0|1,0,1]=4 175 B11R2.117 CC1=CC=C2CC(=O)C2=C1 16222 [0,1,0,1,0,0|1,0,1]=4 176 B11R2.190 COC1=CC=C2CCC2=C1 16570 [0,1,0,1,0,0|0,0,0]=2