0 B9R1.3 CC1=C(Br)C=CC=C1S 061645 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.3 CC1=C(C)C(Br)=NC=C1 335456 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.3 CC1=C(C)C(N)=NC=C1 208701 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.3 CC1=C(I)C(Br)=CC=C1 038624 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.3 CC1=CC=CC(S)=C1Br 061615 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.3 CN1C=CC=C(O)C1=S 180130 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.3 FC1=C(Br)C=CN=C1Cl 069663 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.3 FC1=C(I)C(Cl)=NC=C1 069653 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.3 FC1=C(S)C=CC=C1Cl 037929 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.3 FC1=CC=CC(Cl)=C1S 037927 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.3 FC1=CC=CC(F)=C1S 037939 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.3 FC1=CC=CC(I)=C1Br 043102 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.3 FC1=CC=CC(S)=C1Cl 038015 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.3 FC1=CC=CC(S)=C1F 061702 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.3 FC1=NC=CC(Br)=C1F 069642 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.3 OC1=CC=CC(I)=C1Cl 319868 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.4 C[N+]1=CC(Cl)=NC=C1 181726 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.4 C[N+]1=CC(I)=CC=C1 189774 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.4 C[N+]1=CC=CC(N)=C1 181312 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.4 [2H]C1=CC(Br)=CC=C1 043268 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.4 [O-][N+]1=CC(I)=CC=C1 188698 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.5 CN1C=CC=NC1=S 099218 [1,0,0,0,0,0|2,1,0]=4 22 B8R1.5 OC1=C(Cl)C=NN=C1 324534 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.2 CC1=C(F)C=CC=C1CBr 342591 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.2 CCC1=CC=CC(C)=C1I 038641 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.2 CNC1=CC=CC(F)=C1F 045885 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.2 COC1=C(Cl)C(F)=CC=C1 038293 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.2 COC1=CC=CC(F)=C1S 043182 [0,1,0,0,0,0|1,1,0]=3 28 B10R1.2 N#CC1=C(Cl)C(Br)=CC=C1 062766 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.2 N#CC1=CC=CC(Cl)=C1Br 038274 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.22 CC1=C(Br)C(F)=CC(Cl)=C1 044241 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.22 CC1=C(Br)C=C(Br)C=C1F 035084 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.22 CC1=C(Br)C=C(Cl)C=C1F 075724 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.22 CC1=C(Cl)C(N)=CC(Br)=C1 061635 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.22 CC1=C(F)C(Br)=CC(Br)=C1 035072 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.22 CC1=C(F)C=C(I)C=C1F 043180 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.22 CC1=C(I)C(Br)=CC(Br)=C1 035169 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.22 CC1=C(I)C(Cl)=CC(F)=C1 044243 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.22 CC1=CC(Br)=C(F)C(F)=C1 038603 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.22 CC1=CC(Br)=C(I)C(Cl)=C1 094998 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.22 CC1=CC(Br)=CC(Cl)=C1F 037511 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.22 CC1=CC(Br)=CC(Cl)=C1I 035711 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.22 CC1=CC(Cl)=CC(Br)=C1Br 035179 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.22 CC1=CC(F)=C(Cl)C(Br)=C1 035068 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.22 CC1=CC(F)=C(I)C(Br)=C1 035067 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.22 CC1=CC(I)=CC(F)=C1Br 069628 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.22 CC1=CC(N)=CC(Br)=C1Cl 061638 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.22 ClC1=CC(Br)=CC(Br)=C1Cl 037474 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.22 FC1=C(Br)C=C(Cl)C=C1Cl 037631 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.22 FC1=C(Cl)C=C(S)C=C1Cl 037464 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.22 FC1=C(S)C=C(Cl)C=C1Br 098338 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.22 FC1=CC(Br)=C(I)C(Cl)=C1 035616 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.22 FC1=CC(Br)=CC(F)=C1S 037906 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.22 FC1=CC(Cl)=CC(F)=C1I 043167 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.22 FC1=CC(F)=C(Cl)C(Cl)=C1 044215 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.22 FC1=CC(F)=C(I)C(Cl)=C1 044213 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.22 FC1=CC(I)=CC(Br)=C1F 070571 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.22 FC1=CC(S)=C(F)C(Br)=C1 070707 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.22 NC1=C(Cl)C(Br)=CC(Cl)=C1 062567 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.22 NC1=C(F)C=C(Br)C=C1I 103373 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.22 SC1=CC(Cl)=C(Br)C(Cl)=C1 037504 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.119 CC1=C(Br)C(C)=C(Cl)C=C1 043085 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.119 CC1=C(Br)C(F)=CC=C1F 043166 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.119 CC1=C(Br)C=CC(N)=C1Br 038631 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.119 CC1=C(Br)C=CC(N)=C1Cl 099929 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.119 CC1=C(Cl)C=CC(Br)=C1C 037665 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.119 CC1=C(F)C(Br)=CC=C1Br 035076 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.119 CC1=C(F)C(Br)=CC=C1Cl 035077 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.119 CC1=C(F)C(Br)=CC=C1S 037990 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.119 CC1=C(N)C(Br)=CC=C1Cl 101851 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.119 CC1=CC=C(Br)C(C)=C1Br 037661 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.119 CC1=CC=C(N)C(C)=C1Br 227786 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.119 FC1=C(Br)C=CC(Cl)=C1Cl 043259 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.119 FC1=C(Br)C=CC(I)=C1F 035731 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.119 FC1=C(Cl)C=CC(Br)=C1F 035733 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.119 FC1=C(F)C(Br)=CC=C1S 070724 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.119 FC1=C(F)C(Cl)=C(Br)C=C1 037523 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.119 FC1=C(F)C(F)=C(S)C=C1 037954 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.119 FC1=C(I)C=CC(Br)=C1Br 070607 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.119 FC1=C(I)C=CC(Cl)=C1Cl 095069 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.119 FC1=CC=C(Br)C(Cl)=C1Cl 037502 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.119 FC1=CC=C(Br)C(I)=C1F 043124 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.119 FC1=CC=C(Cl)C(Br)=C1F 043118 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.119 FC1=CC=C(F)C(I)=C1I 043164 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.119 FC1=CC=C(I)C(Cl)=C1F 043131 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.119 FC1=CC=C(I)C(F)=C1Br 043144 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.119 FC1=CC=C(S)C(F)=C1Br 070684 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.119 FC1=CC=C(S)C(F)=C1Cl 043095 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.119 NC1=C(Cl)C(F)=C(Br)C=C1 044835 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.245 C#CC1=C(C)C=CC=C1C 046041 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.245 COC1=C(I)C=CC=C1C 038816 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.245 C[N+]1=CC=CC(O)=C1C#N 180354 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.50 CC1=NNC(C)=C1N 030286 [0,0,0,0,1,0|3,0,0]=4 93 B7R1.3 N[N+]1=CC=CC=C1 184347 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.2 CCC1=CC(C)=CN=C1 180046 [1,1,0,0,0,0|1,0,0]=3 95 B9R1.2 C[N+]1=CC(C#N)=CC=C1 181002 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.2 C[N+]1=CC(CO)=CC=C1 181608 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.34 CC1=CC(C)=NC(I)=N1 438023 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.34 CC1=CC(C)=[O+]C(C)=C1 181073 [1,1,0,0,0,0|1,0,0]=3 99 B9R1.34 CC1=CC(Cl)=CC(I)=C1 070851 [1,1,0,0,0,0|1,0,0]=3 100 B9R1.34 FC1=CC(S)=CC(Br)=C1 062577 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.69 CC1=C(S)C=CC(Br)=C1 037981 [1,1,0,0,0,0|1,0,0]=3 102 B9R1.69 CC1=C(S)C=CC(F)=C1 023130 [1,1,0,0,0,0|1,0,0]=3 103 B9R1.69 CC1=CC(C)=[N+]([O-])C=C1 032556 [1,1,0,0,0,0|1,0,0]=3 104 B9R1.69 CC1=CC(Cl)=C(S)C=C1 070834 [1,1,0,0,0,0|1,0,0]=3 105 B9R1.69 CC1=CC(S)=C(Br)C=C1 037984 [1,1,0,0,0,0|1,0,0]=3 106 B9R1.69 CC1=CC(S)=C(F)C=C1 037942 [1,1,0,0,0,0|1,0,0]=3 107 B9R1.69 CC1=CC=C(C)C(N)=N1 032657 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.69 CC1=CC=C(S)C=C1F 023072 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.69 CC1=CC=[N+](C)C=C1C 032583 [1,1,0,0,0,0|1,0,0]=3 110 B9R1.69 CC1=[N+](C)C=C(O)C=C1 181609 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.69 ClC1=C(Br)C=C(Br)C=C1 037509 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.69 FC1=C(S)C=C(Br)C=C1 037911 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.69 FC1=C(S)C=C(Cl)C=C1 037933 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.69 FC1=C(S)C=CC(Cl)=C1 037930 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.69 OC1=CC=C(I)C(F)=C1 226296 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.69 SC1=C(Br)C=C(Br)C=C1 037937 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.69 SC1=C(Br)C=C(Cl)C=C1 061712 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.69 SC1=C(Br)C=CC(Cl)=C1 062559 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.69 SC1=C(Cl)C=C(Br)C=C1 037897 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.69 SC1=C(Cl)C=CC(Br)=C1 037979 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.69 SC1=CC(Br)=CC=C1Br 038020 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.69 SC1=CC(Cl)=C(Br)C=C1 037898 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.69 SC1=CC=C(Cl)C(Br)=C1 061642 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.15 C#CC1=CC=CC=C1O 222906 [1,1,0,0,0,0|0,0,1]=3 125 B9R1.15 CCC1=C(F)C=CC=C1 037698 [1,1,0,0,0,0|1,0,0]=3 126 B9R1.15 NCC1=CC=CC=C1Cl 209763 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.8 CC1=C(Cl)C(C=O)=CC(Cl)=C1 037652 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.8 CC1=CC(Br)=C(O)C(C=O)=C1 015628 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.8 CC1=CC(C=O)=C(Cl)C(C)=C1 037656 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.8 CC1=CC(Cl)=CC(C=O)=C1O 031710 [0,2,0,0,0,0|0,0,1]=3 131 B11R1.8 COC1=C(Br)C(Br)=CC(N)=C1 061628 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.8 COC1=C(Cl)C(Br)=CC(I)=C1 061631 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.8 COC1=CC(C)=CC(Br)=C1N 038669 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.13 CC1=CC=CC(N=C=O)=C1F 102259 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.72 COC1=C(N)C=CC(Br)=C1C 038821 [0,2,0,0,0,0|1,0,0]=3 136 B11R1.72 COC1=C(O)C(F)=CC=C1F 038322 [0,2,0,0,0,0|1,0,0]=3 137 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1Br 062785 [0,2,0,0,0,0|1,0,1]=4 138 B11R1.159 FC1=C(Br)C=CC=C1C(F)F 099969 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.159 FC1=C(Cl)C=CC=C1C(F)F 094659 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.159 FC1=CC=CC(C(F)F)=C1F 101525 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.265 CCC1=CC=CC(C)=C1C=O 038660 [0,2,0,0,0,0|0,0,1]=3 142 B11R1.265 COC1=C(OC)C(F)=CC=C1 021826 [0,2,0,0,0,0|1,0,0]=3 143 B11R1.267 COC1=CC=CC(C=O)=C1F 049660 [0,2,0,0,0,0|1,0,1]=4 144 B11R1.278 CC1=C(F)C(Br)=CC=C1C#N 069442 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.278 COC1=CC=C(F)C(F)=C1C 043243 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.14 COC1=CC(C)=[N+]([O-])C(C)=C1 184871 [0,2,0,0,0,0|1,0,1]=4 147 B11R1.32 CC1=C(Br)C(Cl)=C(Cl)C=C1F 075728 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.32 CC1=C(Br)C(N)=C(Br)C=C1F 035085 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.32 CC1=C(Br)C(N)=C(Cl)C=C1F 075722 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.32 CC1=C(Br)C=C(Br)C(N)=C1Br 487252 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.32 CC1=C(C)C(Br)=C(N)C(Cl)=C1 101920 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.32 CC1=C(N)C(Br)=C(Cl)C(Br)=C1 035163 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.464 CC1=NC(O)=CC(C)=C1C#N 097696 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.464 COC1=C(Br)C=C(Cl)C=C1Br 037536 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.464 COC1=C(Br)C=C(F)C=C1F 013195 [0,2,0,0,0,0|2,0,0]=4 156 B11R1.464 OCC1=C(F)C=C(I)C=C1F 104261 [0,2,0,0,0,0|2,0,0]=4 157 B11R1.156 CC(O)C1=C(F)C=CC=C1F 033750 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 070200 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.605 CC1=CC=CC(F)=C1N=C=O 102267 [0,2,0,0,0,0|1,0,1]=4 160 B11R1.605 CC1=CC=CC(F)=C1N=C=S 102430 [0,2,0,0,0,0|1,1,0]=4 161 B11R1.605 OCCC1=C(F)C=CC=C1F 233833 [0,2,0,0,0,0|2,0,0]=4 162 B11R2.106 CC1=CC=CC2=C1N=NN2 043047 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.2 CC1=CC=C([Mg+])S1 399696 [1,0,0,0,1,0|2,0,0]=4 164 B7R1.2 CC1=CN(C)C=N1 075144 [1,0,0,0,1,0|2,0,0]=4