0 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.3 ClC1=CC=C(I)N=C1 101633 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.3 FC1=CN=C(F)C=C1 102007 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 IC1=CC=CC=C1 102614 [1,0,0,0,0,0|1,0,0]=2 4 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.1 FC1=CC=C(CBr)C=C1 102290 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [0,1,0,0,0,0|1,0,1]=3 7 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [0,1,0,0,0,0|0,0,1]=2 8 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [0,1,0,0,0,0|1,0,1]=3 9 B9R1.69 BrC1=CN=C(Br)C(I)=C1 100728 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.69 BrC1=CN=C(I)C(Br)=C1 101631 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.69 CC1=CC(O)=CC=C1Br 16031 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.69 ClC1=CC(Cl)=NC=C1Br 102389 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.69 ClC1=CC(Cl)=NC=C1I 100067 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.69 ClC1=CC=C(Cl)C(I)=N1 100065 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.69 ClC1=CC=C(I)C(Cl)=N1 100069 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.69 ClC1=CN=C(Cl)C=C1I 100087 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.69 ClC1=CN=C(I)C(Br)=C1 100741 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.69 ClC1=NC=C(Br)C(I)=C1 100736 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.69 FC1=CC(Cl)=C(F)N=C1 102002 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.69 FC1=CC(Cl)=C(I)N=C1 102074 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.69 FC1=CC(Cl)=CN=C1Cl 102064 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.69 FC1=CC(F)=NC=C1I 102011 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.69 FC1=CC(I)=CC=C1I 102040 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.69 FC1=CC(I)=CN=C1F 101041 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.69 FC1=CC=C(Cl)C(F)=N1 100266 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.69 FC1=CC=C(I)C(F)=N1 100247 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.69 FC1=CN=C(F)C(F)=C1 102010 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.69 FC1=CN=C(F)C=C1Cl 102006 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.69 FC1=CN=C(F)C=C1I 101042 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.69 FC1=NC=C(Cl)C=C1Cl 102084 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.69 NC1=C(Br)C=CC(F)=N1 101265 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.69 NC1=C(S)C=CC(Cl)=C1 519 [0,1,0,0,0,0|1,1,0]=3 33 B9R1.69 NC1=NC(F)=CC=C1Cl 101254 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.69 O=C1C=C(Cl)NC=C1Cl 100085 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.69 O=C1NC=C(Cl)C=C1F 101039 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.69 OC1=CC=C(F)N=C1F 100255 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.6 O=C(O)\C=C\C(=O)O 20756 [0,0,1,0,0,0|2,0,0]=3 38 B8R1.2 NCC1=NC=CC=C1 21601 [1,1,0,0,0,0|2,0,0]=4 39 B8R1.4 BrC1=CC(I)=CN=C1 101632 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.4 CC1=CC=CC(I)=N1 100813 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.4 CC1=CC=C[N+]([O-])=C1 4675 [1,1,0,0,0,0|1,0,1]=4 42 B8R1.4 ClC1=CC(I)=CC=N1 100082 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.4 ClC1=CC=NC(Cl)=C1 100096 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.4 FC1=CC=NC(F)=C1 100267 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.4 FC1=CN=CC(F)=C1 101992 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.4 FC1=NC=CC(Cl)=C1 102387 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.4 FC1=NC=CC(I)=C1 101074 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.4 NC1=CC(Cl)=CC=N1 101260 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.4 NC1=CC(F)=CC=C1 20479 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.4 NC1=CC=CC(N)=C1 21487 [1,1,0,0,0,0|1,0,0]=3 51 B8R1.4 NC1=NC(F)=CC=C1 101259 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.5 BrC1=C(I)C=NC=C1 100763 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.5 BrC1=CC=CN=C1I 101630 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.5 CC1=CC=CN=C1O 20633 [1,1,0,0,0,0|1,0,0]=3 55 B8R1.5 ClC1=CC=CN=C1I 101634 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.5 ClC1=CC=NC=C1Cl 100094 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.5 ClC1=NC=CC=C1I 100075 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.5 FC1=C(Cl)C=CN=C1 102021 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.5 FC1=C(I)C=CC=C1 102030 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.5 FC1=CC=CN=C1Cl 102016 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.5 FC1=CC=CN=C1F 102003 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.5 FC1=NC=CC=C1Cl 101990 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.5 FC1=NC=CC=C1I 102077 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.5 NC1=CC=CC=C1N 22078 [1,1,0,0,0,0|1,0,0]=3 65 B8R1.5 NC1=CC=CN=C1Cl 20953 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [0,2,0,0,0,0|1,0,0]=3 67 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [0,2,0,0,0,0|1,0,0]=3 68 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [0,2,0,0,0,0|1,0,0]=3 69 B10R1.1 O\N=CC1=CC=C(Br)C=C1 20648 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.1 O\N=CC1=CC=C(C)C=C1 20713 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 19845 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.1 O\N=C\C1=CC=C(O)C=C1 15709 [0,2,0,0,0,0|0,0,0]=2 73 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 22278 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.3 BrCC1=CC=C(CBr)C=C1 11611 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.3 COC1=CC=C(C=O)C=C1 15415 [0,2,0,0,0,0|0,0,1]=3 76 B10R1.3 COC1=CC=C(CN)C=C1 13748 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.3 O=CC1=CC=C(C=O)C=C1 15842 [0,2,0,0,0,0|0,0,2]=4 78 B10R1.3 O=CC1=CC=C(CBr)C=C1 22181 [0,2,0,0,0,0|1,0,1]=4 79 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [0,2,0,0,0,0|1,0,0]=3 80 B10R1.13 CN(C)C1=CC=C(F)C=C1 102911 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [0,2,0,0,0,0|0,0,0]=2 84 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [0,2,0,0,0,0|0,0,1]=3 87 B10R1.25 CC1=CC=C(CCl)C(C)=C1 16098 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [0,2,0,0,0,0|0,0,1]=3 89 B10R1.176 COC1=CC=C(Br)C(C)=C1 16780 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.176 COC1=CC=C(Cl)C(C)=C1 16021 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.176 O=CC1=CC=C(Cl)C(Cl)=C1 15845 [0,2,0,0,0,0|1,0,1]=4 93 B10R1.22 BrC1=CC(Br)=C(Br)C(Br)=C1 101141 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.22 CC1=C(Cl)C=C(I)C=C1Cl 101298 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.22 CC1=CC(C)=C(N)C(C)=C1 20775 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.22 ClC1=CC(Cl)=C(Cl)C(Cl)=C1 101162 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.22 ClC1=CC(Cl)=C(I)C(Cl)=C1 101076 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.22 FC1=C(Br)C(Br)=CC(Br)=C1 101133 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.22 FC1=C(I)C(Br)=CC(Br)=C1 101132 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.22 FC1=CC(F)=C(I)C(F)=C1 101142 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.22 FC1=CC(I)=CC(I)=C1F 102031 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.22 NC1=C(Br)C=C(Br)C=C1Br 10711 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.30 O=CC1=CC(F)=CC=C1F 102033 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.30 OCC1=CC(F)=CC=C1F 102036 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.118 BrC1=CC(Br)=C(Br)C=C1Br 1118 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.118 CC1=CC(Br)=C(C)C=C1Br 11457 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.118 CC1=CC(Cl)=C(C)C=C1Cl 11456 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.118 ClC1=CC(Cl)=C(Br)C=C1Br 101326 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.118 FC1=CC(F)=C(I)C=C1I 102053 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.118 FC1=CC(I)=C(F)C=C1I 102973 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.119 FC1=C(Cl)C(Br)=CC=C1Cl 100893 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.119 FC1=C(F)C(Br)=CC=C1Br 102755 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.119 FC1=C(F)C(I)=CC=C1I 102062 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.119 FC1=CC=C(F)C(I)=C1I 102063 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.119 FC1=CC=C(I)C(F)=C1Br 102756 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.119 FC1=CC=C(I)C(F)=C1F 100894 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.119 FC1=CC=C(I)C(F)=C1I 102058 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.119 NC1=C(Br)C(N)=C(Br)C=C1 11437 [0,2,0,0,0,0|2,0,0]=4 119 B6R1.2 OC1=NNC=C1 20767 [1,0,0,0,1,0|2,0,0]=4