0 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 032678 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CN(C)C1=NC=C(Br)C=C1 093291 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 038318 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.3 N=C(N)C1=CC=C(CN)C=C1 011383 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.19 CC(F)(F)C1=CC=C(Cl)C=C1 101883 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.19 CC(F)(F)C1=CC=C(I)C=C1 492178 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 181236 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 181734 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 182742 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.19 CC1=CC=C(S([NH-])(=O)=O)C=C1 180620 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.21 CC(C)C1=CC(Br)=C(Cl)C=C1 037568 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.21 CC(C)C1=CC(Br)=C(I)C=C1 035646 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 097861 [0,1,0,0,0,0|1,1,0]=3 14 B11R1.21 CC1=C(I)C=CC(C(=O)Cl)=C1 103960 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.21 C[C@@H](N)C1=CC=C(F)C(F)=C1 210212 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.21 NC(=O)C1=CC=C(Cl)C(I)=C1 050135 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.21 O=C(Cl)C1=CC(I)=C(Cl)C=C1 103976 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.21 O=C(Cl)C1=CC=C(Cl)C(Br)=C1 038136 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 062790 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.166 CC1=CC(Br)=C(C(=O)Cl)C=C1 062786 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.166 CS(=O)C1=C(F)C=C(F)C=C1 064546 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021801 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021821 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 039336 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Br 467171 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl 011135 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.166 O=C(Cl)C1=C(Br)C=C(Br)C=C1 062655 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.166 O=C(Cl)C1=C(Cl)C=C(Br)C=C1 038129 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.166 O=C(Cl)C1=C(F)C=C(I)C=C1 103809 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.166 O=C(Cl)C1=CC=C(F)C=C1Br 038137 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [0,0,0,0,0,1|2,0,0]=3 33 B11R1.20 CC(C)OC1=CC=C(F)C=C1 098420 [0,0,0,0,0,1|2,0,1]=4 34 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [0,0,0,0,0,1|2,0,0]=3 35 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [2,0,0,0,0,0|1,0,1]=4 36 B8R1.3 CC1=CC=[N+](C)C=C1 180824 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.25 COC1=C(Br)C=C(S)C=C1 038040 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.25 COC1=C(Cl)C=C(S)C=C1 038033 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.25 COC1=C(S)C=C(Br)C=C1 038041 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.25 COC1=CC=C(F)C=C1I 075745 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.25 COC1=CC=C(S)C=C1C 038027 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.25 COC1=CC=C(S)C=C1F 023073 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.25 CSC1=C(Cl)C=C(Cl)C=C1 019344 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.176 COC1=CC(Br)=C(S)C=C1 038759 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.176 COC1=CC=C(Cl)C(S)=C1 037969 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [1,1,0,0,0,0|0,0,1]=3 51 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|0,0,2]=4 52 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.61 O=C(Cl)C1=CC=CN=C1F 066676 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.113 CC(=O)C1=CC=C[N+](C)=C1 181309 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 402790 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.14 COC(=O)C1=CC=C(Cl)S1 323671 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.14 O=C(CBr)C1=CC=C(Br)S1 018072 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.59 CC(=O)N1N=C(C)C=C1C 335502 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 059281 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.4 COC1=CC=C(NC(C)C)C=C1 020629 [0,1,0,0,0,1|1,0,1]=4 61 B12R1.19 CC1=C(F)C=C(NC(N)=S)C=C1 062903 [0,1,0,0,0,1|1,1,0]=4 62 B12R1.19 NC(=O)CC1=CC(F)=C(F)C=C1 102662 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.49 CNC(=O)CC1=CC=C(F)C=C1 102257 [0,1,0,0,0,1|1,0,0]=3 64 B12R1.233 NC(=O)CC1=C(F)C=C(Cl)C=C1 102743 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.233 NC(=O)NC1=C(F)C=C(Br)C=C1 432428 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1F 070168 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 216655 [0,2,0,0,0,0|0,0,0]=2 68 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 391882 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.6 CCC1=CC=C(S(C)(=O)=O)C=C1 019373 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 014688 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.256 O=C(O)C1=CC=C(C(F)F)N=C1 075121 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.126 CC1=C(S(C)(=O)=O)C=CC(F)=C1 023630 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.56 COC1=C(C)C=CC(C(=O)Cl)=C1 020643 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.232 CC1=C(Br)C=C([N+](=O)[O-])C(Br)=C1 037683 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.232 CC1=C(C(=O)O)C=C(Br)C(F)=C1 097663 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.232 CC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 037615 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.232 CC1=C(Cl)C=C([N+](=O)[O-])C(Br)=C1 037684 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1Br 070827 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1C 044221 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.232 CC1=CC(Cl)=C(C)C=C1C(=O)O 037482 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.232 CC1=CC(I)=C([N+](=O)[O-])C=C1C 038761 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.232 O=C(O)C1=C(Br)C=C(Cl)C(I)=C1 038739 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(Cl)=C1 069702 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.367 CC1=C(F)C=CC(C(=O)CBr)=C1 064662 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.367 CNC(=O)C1=CC(F)=C(F)C=C1 102183 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.367 COC(=O)C1=CC=C(F)C(C)=C1 078733 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.893 CC(=O)C1=C(O)C(F)=C(F)C=C1 046461 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1F 037605 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.893 O=C(O)C1=CC=C(F)C(Br)=C1F 070698 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(F)=C1 037525 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(F)=C1 037597 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.1005 O=C(O)C1=CC(I)=C(F)C(I)=C1 050128 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 022389 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.16 O=C\C=C(/Cl)C1=CC=C(Cl)C=C1 020001 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.1703 CNC(=O)C1=C(Br)C=C(Cl)C=C1 103535 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.1703 CNC(=O)C1=C(F)C=C(C)C=C1 104543 [0,2,0,0,0,0|0,0,0]=2 97 B12R1.1703 CNC(=O)C1=C(F)C=C(F)C=C1 102155 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Br 218279 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.1703 C\C(=N\O)C1=CC=C(Cl)C=C1Cl 075984 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.57 CCC1=C(C(=O)O)C=CC(Br)=C1 069431 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(C)=C1 102221 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(N)=N1 103279 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(C)=N1 029212 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.1000 O=C(O)C1=C(F)C=C(I)C=C1F 037586 [0,2,0,0,0,0|2,0,0]=4 105 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 233955 [0,0,0,1,0,1|2,0,0]=4 106 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [1,0,0,0,0,1|2,0,0]=4 107 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [1,0,0,0,0,1|2,0,0]=4 108 B12R1.21 NC(=O)\C=C\C1=CC=C(F)C=C1 102676 [0,0,0,0,0,2|2,0,0]=4 109 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 093009 [0,0,0,0,0,2|2,0,0]=4 110 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 086592 [0,0,0,0,0,2|2,0,0]=4