0 B10R1.113 CC(=O)C1=CC=C[N+](C)=C1 181309 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.113 C[N+]1=CC(C(=O)O)=NC=C1 188697 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 C[N+]1=CC(C(N)=O)=NC=C1 181871 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.113 C[N+]1=CC([N+](=O)[O-])=CC=C1 181886 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.113 NC1=NC=CC([N+](=O)[O-])=C1 092373 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 402790 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 094451 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.2 CCC1=CC(C)=CN=C1 180046 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.21 CC(C)C1=CC(Br)=C(Cl)C=C1 037568 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.21 CC(C)C1=CC(Br)=C(I)C=C1 035646 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 097861 [0,1,0,0,0,0|2,1,0]=4 12 B11R1.21 CC1=C(I)C=CC(C(=O)Cl)=C1 103960 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.21 C[C@@H](N)C1=CC=C(F)C(F)=C1 210212 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.21 NC(=O)C1=CC=C(Cl)C(I)=C1 050135 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.21 O=C(Cl)C1=CC(I)=C(Cl)C=C1 103976 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.21 O=C(Cl)C1=CC=C(Cl)C(Br)=C1 038136 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 209062 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Br)=C1 038166 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 038165 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.155 CC(C)(C)C1=CC=CC(S)=C1 036199 [0,1,0,0,0,0|1,1,1]=4 21 B11R1.155 CC(F)(F)C1=CC(F)=CC=C1 101875 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.155 CC(F)(F)C1=CC=CC(Cl)=C1 101880 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.155 CC1=CC=CC(S(C)(=O)=O)=C1 019379 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.155 C[N+]1=CC(S(C)(=O)=O)=CC=C1 182499 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.159 CC1=C(C(=O)Cl)C=CC=C1Cl 062740 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1Br 062785 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.159 NC(=O)C1=C(N)C(Cl)=CC=C1 094026 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.159 O=C(Cl)C1=C(Br)C(F)=CC=C1 062706 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.159 O=C(Cl)C1=C(Cl)C(F)=CC=C1 038156 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.159 O=[N+]([O-])C1=C(I)C(Br)=CC=C1 223317 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.167 CC(C)C1=C(Br)C=CC(Br)=C1 037576 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.167 CC(C)C1=C(Cl)C=CC(Br)=C1 037575 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.167 CC1=CC(C(=O)Cl)=C(Br)C=C1 062787 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.167 CC1=CC(C(N)=O)=C(Cl)C=C1 094064 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.167 CC1=CC=C(Cl)C(C(=O)Cl)=C1 062748 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.167 NC(=O)C1=C(Cl)C=CC(I)=C1 104006 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 104007 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(I)=C1 038159 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 246343 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.167 O=C(Cl)C1=C(I)C=CC(Cl)=C1 103977 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1F 038143 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.266 COC1=CC(S(=O)[O-])=CC=C1 045961 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.266 CO[N+]1=CC(C(=O)O)=CC=C1 181676 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.266 CO[N+]1=CC(C(N)=O)=CC=C1 181646 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.266 N=C(N)C1=CC(CN)=CC=C1 011382 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.157 CC1=CC=CC(SC(C)C)=C1 094880 [0,0,0,0,0,1|2,0,1]=4 47 B11R1.157 NC(=O)CC1=CC(F)=CC=C1 102220 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.157 O=C(O)C[N+]1=CC(Cl)=CC=C1 182512 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.4 C[N+]1=CC(I)=CC=C1 189774 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.4 C[N+]1=CC=CC(N)=C1 181312 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.4 [2H]C1=CC(Br)=CC=C1 043268 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.2 CCC1=CC=CC(C)=C1I 038641 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.2 CNC1=CC=CC(F)=C1F 045885 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.2 COC1=C(Cl)C(F)=CC=C1 038293 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.2 COC1=CC=CC(F)=C1S 043182 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 037651 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.8 CCC1=CC(Br)=CC(C)=C1 038642 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.8 O=CC1=CC(Cl)=NC(Cl)=C1 023566 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.30 COC1=CC(C)=CC=C1I 038666 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.30 NC1=C(C=O)C=C(Cl)C=N1 046567 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.176 COC1=CC(Br)=C(S)C=C1 038759 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.176 COC1=CC=C(Cl)C(S)=C1 037969 [1,1,0,0,0,0|1,1,0]=4 71 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [1,1,0,0,0,0|0,0,1]=3 73 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.61 O=C(Cl)C1=CC=CN=C1F 066676 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.14 COC(=O)C1=CC=C(Cl)S1 323671 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.14 O=C(CBr)C1=CC=C(Br)S1 018072 [0,1,0,0,1,0|2,0,0]=4 78 B12R1.19 NC(=O)CC1=CC(F)=C(F)C=C1 102662 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.50 CNC(=O)CC1=CC(Cl)=CC=C1 105123 [0,1,0,0,0,1|1,0,0]=3 80 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 060363 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.127 CC(=O)NC1=C(F)C=CC(F)=C1 034738 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.127 CC(=O)NC1=CC(C)=CC=[N+]1[O-] 180321 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.127 O=C(Cl)CC1=CC(F)=CC=C1F 014716 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 060687 [0,1,0,0,0,1|0,0,0]=2 85 B12R1.56 COC1=C(C)C=CC(C(=O)Cl)=C1 020643 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 210016 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.232 CC1=C(C(=O)O)C=C(Br)C(F)=C1 097663 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.232 CC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 037615 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1Br 070827 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1C 044221 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.232 CC1=CC(Cl)=C(C)C=C1C(=O)O 037482 [0,2,0,0,0,0|2,0,0]=4 92 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 93 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 94 B12R1.367 CC1=C(F)C=CC(C(=O)CBr)=C1 064662 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.367 CNC(=O)C1=CC(F)=C(F)C=C1 102183 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.367 COC(=O)C1=CC=C(F)C(C)=C1 078733 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.893 CC(=O)C1=C(O)C(F)=C(F)C=C1 046461 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1F 037605 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.893 O=C(O)C1=CC=C(F)C(Br)=C1F 070698 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(F)=C1 037525 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(F)=C1 037597 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.1005 O=C(O)C1=CC(I)=C(F)C(I)=C1 050128 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.24 CNC(=O)C1=C(Br)C(C)=CC=C1 102906 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.24 CNC(=O)C1=C(C)C(Br)=CC=C1 104110 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.354 CNC(=O)C1=C(Cl)C=CC(F)=C1 104829 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.354 CNC(=O)C1=C(F)C=CC(F)=C1 102230 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.354 CNC(=O)C1=C(I)C=CC(C)=C1 103462 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.354 CNC(=O)C1=CC(Cl)=CC=C1N 061672 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.354 COC(=O)C1=C(I)C=CC(I)=C1 098922 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.354 COC(=O)C1=CC(C)=CC=C1F 228918 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.354 C\C(=N/O)C1=C(F)C=CC(F)=C1 076002 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.358 CC1=CC(C)=CC(\C(C)=N/O)=C1 080246 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.358 CNC(=O)C1=CC(Cl)=CC(Cl)=C1 103529 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.358 CNC(=O)C1=CC(F)=CC(F)=C1 102987 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.435 COC(=O)C1=CC=NC(CN)=C1 234001 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.511 CC1=C(Cl)C(C(=O)O)=CC(Cl)=C1 037653 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.511 CC1=C(F)C(C(=O)O)=CC(F)=C1 037159 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.511 CC1=CC(C(=O)O)=C(Cl)C(C)=C1 037655 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.511 O=C(O)C1=C(Cl)C(Cl)=CC(F)=C1 037633 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.128 CC1=CC(S(C)(=O)=O)=C(C)C=C1 019359 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.436 COC1=CC=CC(S(C)(=O)=O)=C1 019357 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.894 O=C(O)C1=C(Br)C(F)=CC=C1F 043160 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.894 O=C(O)C1=C(F)C=CC(I)=C1F 037594 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.46 CC1=CC=C([IH2]=O)C(C(=O)O)=C1 182113 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.453 CCC1=CC(C(=O)O)=C(Cl)C=C1 044222 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.279 COCC1=CC([N+](=O)[O-])=CC=C1 102051 [0,2,0,0,0,0|2,0,0]=4 127 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 231234 [0,0,0,1,0,1|2,0,0]=4 128 B12R2.202 CC1=NC2=C(Cl)C=CC=C2S1 226864 [0,0,0,1,0,1|2,0,0]=4 129 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 233955 [0,0,0,1,0,1|2,0,0]=4 130 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [1,0,0,0,0,1|2,0,0]=4 131 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [1,0,0,0,0,1|2,0,0]=4 132 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 085104 [0,0,0,0,0,2|2,0,0]=4