0 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 17693 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [0,0,0,0,0,0|2,1,1]=4 19 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.13 CC1=CC=C(B(O)O)C=N1 17081 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.13 CC1=CC=C(C(=O)O)N=N1 18650 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [0,0,0,0,0,0|1,1,0]=2 30 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.13 CC1=CN=C(B(O)O)C=C1 6938 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.13 CC1=CN=C(C(=O)O)C=N1 8550 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.13 CC1=CN=C(C(=O)O)N=C1 35346 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.13 CC1=NC=C(C(=O)O)C=N1 13290 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 6699 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.13 CN(C)c1ccc(N)cc1 21651 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [0,0,0,0,0,0|2,0,1]=3 58 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 25824 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.13 N=C(N)C1=CC=C(N)C=C1 13445 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.13 NC(=O)C1=CC=C(Cl)N=N1 35945 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 32127 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.13 NC(=O)C1=NC=C(N)C=C1 17853 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.13 NC(=O)C1=NC=C(N)C=N1 25348 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.13 NC(=O)C1=NC=C(N)N=C1 32178 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 10912 [0,0,0,0,0,0|2,1,0]=3 77 B10R1.13 NC(=S)C1=CC=C(N)C=C1 13560 [0,0,0,0,0,0|2,1,0]=3 78 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [0,0,0,0,0,0|1,1,0]=2 79 B10R1.13 NC1=CC=C(B(O)O)C=C1 17155 [0,0,0,0,0,0|2,0,1]=3 80 B10R1.13 NC1=CC=C(B(O)O)C=C1 1747 [0,0,0,0,0,0|2,0,1]=3 81 B10R1.13 NC1=CC=C(B(O)O)C=C1 6329 [0,0,0,0,0,0|2,0,1]=3 82 B10R1.13 NC1=CC=C(B(O)O)C=N1 25619 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [0,0,0,0,0,0|1,0,0]=1 84 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 2098 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [0,0,0,0,0,0|2,0,0]=2 87 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.13 NC1=CN=C(C(=O)O)C=N1 7866 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.13 NC1=NC=C(C(=O)O)C=N1 18198 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 1157 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [0,0,0,0,0,0|2,0,0]=2 93 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [0,0,0,0,0,0|2,0,0]=2 94 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [0,0,0,0,0,0|2,0,0]=2 95 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 18665 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 5141 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [0,0,0,0,0,0|1,0,0]=1 99 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [0,0,0,0,0,0|1,0,0]=1 100 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 17692 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [0,0,0,0,0,0|1,0,0]=1 102 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [0,0,0,0,0,0|1,0,0]=1 103 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [0,0,0,0,0,0|0,0,0]=0 104 B10R1.13 O=C(O)C1=CC=C(O)N=N1 16854 [0,0,0,0,0,0|2,0,0]=2 105 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [0,0,0,0,0,0|0,1,0]=1 106 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [0,0,0,0,0,0|2,0,0]=2 107 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [0,0,0,0,0,0|2,0,0]=2 108 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 29068 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [0,0,0,0,0,0|2,0,0]=2 110 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [0,0,0,0,0,0|1,0,0]=1 111 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [0,0,0,0,0,0|2,0,0]=2 112 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 16922 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [0,0,0,0,0,0|2,0,0]=2 114 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 29199 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 24823 [0,0,0,0,0,0|3,0,0]=3 116 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [0,0,0,0,0,0|2,0,0]=2 117 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [0,0,0,0,0,0|2,0,0]=2 118 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [0,0,0,0,0,0|1,0,0]=1 119 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [0,0,0,0,0,0|2,0,0]=2 120 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 24616 [0,0,0,0,0,0|2,0,1]=3 121 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 2286 [0,0,0,0,0,0|2,0,1]=3 122 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 4436 [0,0,0,0,0,0|2,0,1]=3 123 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [0,0,0,0,0,0|1,0,1]=2 124 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 27826 [0,0,0,0,0,0|2,0,1]=3 125 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 5422 [0,0,0,0,0,0|1,1,1]=3 126 B10R1.13 O=[N+]([O-])C1=CC=[N+]([O-])C=C1 2588 [0,0,0,0,0,0|2,0,2]=4 127 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=C1 1183 [0,0,0,0,0,0|3,0,1]=4 128 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 1190 [0,0,0,0,0,0|3,0,1]=4 129 B10R1.13 O=[N+]([O-])C1=CN=C(F)C=C1 1202 [0,0,0,0,0,0|3,0,1]=4 130 B10R1.13 O=[N+]([O-])C1=CN=C(I)C=C1 6575 [0,0,0,0,0,0|3,0,1]=4 131 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 1205 [0,0,0,0,0,0|2,0,1]=3 132 B10R1.13 O=[N+]([O-])C1=CN=C(O)N=C1 23554 [0,0,0,0,0,0|3,0,1]=4 133 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 6691 [0,0,0,0,0,0|3,0,1]=4 134 B10R1.13 O=[N+]([O-])C1=NC=C(Cl)C=C1 6693 [0,0,0,0,0,0|3,0,1]=4 135 B10R1.13 O=[N+]([O-])C1=NC=C(F)C=C1 35597 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.13 O=[N+]([O-])c1ccc(Br)cc1 27491 [0,0,0,0,0,0|2,0,1]=3 137 B10R1.13 OB(O)C1=CC=C(Br)C=C1 1763 [0,0,0,0,0,0|2,0,1]=3 138 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 1798 [0,0,0,0,0,0|2,0,1]=3 139 B10R1.13 OB(O)C1=CC=C(F)C=C1 1858 [0,0,0,0,0,0|2,0,1]=3 140 B10R1.13 OB(O)C1=CC=C(I)C=C1 6160 [0,0,0,0,0,0|2,0,1]=3 141 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [0,0,0,0,0,0|1,0,1]=2 142 B10R1.13 OB(O)C1=CC=C(S)C=C1 1862 [0,0,0,0,0,0|1,1,1]=3 143 B10R1.13 OB(O)C1=CN=C(Br)C=C1 5082 [0,0,0,0,0,0|3,0,1]=4 144 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 7918 [0,0,0,0,0,0|3,0,1]=4 145 B10R1.13 OB(O)C1=CN=C(F)C=C1 7963 [0,0,0,0,0,0|3,0,1]=4 146 B10R1.13 OB(O)C1=NC=C(Cl)C=C1 13568 [0,0,0,0,0,0|3,0,1]=4 147 B10R1.13 OB(O)C1=NC=C(F)C=C1 14730 [0,0,0,0,0,0|3,0,1]=4 148 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [0,0,0,0,0,0|2,0,1]=3 149 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.1 C#CC1=CC=C(F)C=C1 16719 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.1 C#CC1=CC=C(I)C=C1 34237 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.1 C#CC1=CC=C(N)C=C1 26130 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.1 C=CC1=CC=C(N)C=N1 26083 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 C=CC1=CN=C(Br)C=C1 27635 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.1 CC1=CC=C(CN)C=C1 10199 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.1 CC1=CC=C(CO)C=N1 27403 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.1 CC1=CC=C(NN)C=C1 4500 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.1 CC1=CN=C(C=O)C=N1 32176 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.1 CCC1=CC=C(C)C=C1 21843 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.1 CCC1=CC=C(I)C=C1 3877 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.1 CCC1=CC=C(N)C=C1 26342 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.1 CCC1=CC=C(O)C=C1 3874 [1,0,0,0,0,0|1,0,1]=3 173 B9R1.1 CCC1=CC=C(S)C=C1 6813 [1,0,0,0,0,0|1,1,1]=4 174 B9R1.1 CCc1ccc(F)cc1 22752 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 CNC1=CC=C(I)C=C1 28328 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 COC1=CC=C(Br)C=C1 3726 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.1 COC1=CC=C(F)C=C1 3475 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.1 COC1=CC=C(I)C=C1 3911 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 COC1=CC=C(N)C=C1 21392 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.1 COC1=CC=C(N)C=C1 36098 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 COC1=CC=C(O)C=C1 14584 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.1 COC1=CC=C(O)C=C1 2276 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.1 COC1=CC=C(S)C=C1 6822 [1,0,0,0,0,0|2,1,0]=4 186 B9R1.1 COC1=NC=C(O)C=C1 16171 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.1 CSC1=CC=C(C)C=C1 10672 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.1 CSC1=CC=C(F)C=C1 10641 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.1 CSC1=CC=C(I)C=C1 10670 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.1 CSC1=CC=C(N)C=C1 10636 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.1 CSC1=CC=C(O)C=C1 15277 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.1 CSC1=CC=C(S)C=C1 6825 [1,0,0,0,0,0|2,1,0]=4 195 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 24069 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.1 FC1=CC=C(CS)C=C1 6855 [1,0,0,0,0,0|1,1,1]=4 202 B9R1.1 N#CC1=CC=C(Br)C=C1 3745 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.1 N#CC1=CC=C(Cl)C=C1 20405 [1,0,0,0,0,0|2,0,1]=4 204 B9R1.1 N#CC1=CC=C(F)C=C1 1585 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.1 N#CC1=CC=C(I)C=C1 3936 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.1 N#CC1=CC=C(N)C=C1 15683 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.1 N#CC1=CN=C(O)C=C1 18529 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.1 N#CC1=NC=C(O)C=C1 17605 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [1,0,0,0,0,0|1,0,0]=2 210 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.1 NC1=CC=C(CO)C=C1 7480 [1,0,0,0,0,0|1,0,1]=3 212 B9R1.1 NC1=CC=C(CO)C=N1 18913 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.1 NC1=NC=C(C=O)C=N1 27597 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.1 NCC1=CC=C(F)C=C1 3408 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.1 NCC1=CC=C(F)C=C1 4420 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.1 NCC1=CC=C(I)C=C1 3304 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.1 NCC1=CC=C(N)C=C1 5803 [1,0,0,0,0,0|2,0,1]=4 221 B9R1.1 NCC1=CC=C(O)C=C1 26036 [1,0,0,0,0,0|1,0,1]=3 222 B9R1.1 NNC1=CC=C(Br)C=C1 21916 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.1 NNC1=CC=C(Br)C=C1 6409 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.1 NNC1=CC=C(Cl)C=C1 23899 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.1 NNC1=CC=C(Cl)C=C1 4483 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.1 NNC1=CC=C(F)C=C1 15913 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.1 NNC1=CC=C(F)C=C1 3330 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.1 NNC1=CC=C(I)C=C1 15797 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [1,0,0,0,0,0|1,0,0]=2 230 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [1,0,0,0,0,0|1,0,0]=2 231 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [1,0,0,0,0,0|1,0,0]=2 233 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [1,0,0,0,0,0|1,0,0]=2 234 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [1,0,0,0,0,0|0,0,0]=1 235 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [1,0,0,0,0,0|2,0,0]=3 236 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.1 O=CC1=CN=C(Cl)N=C1 23896 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [1,0,0,0,0,0|1,0,0]=2 240 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [1,0,0,0,0,0|1,0,0]=2 244 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [1,0,0,0,0,0|1,0,1]=3 245 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [1,0,0,0,0,0|1,0,1]=3 246 B9R1.1 OCC1=CC=C(F)C=C1 3487 [1,0,0,0,0,0|1,0,1]=3 247 B9R1.1 OCC1=CC=C(F)N=C1 17062 [1,0,0,0,0,0|2,0,1]=4 248 B9R1.1 OCC1=CC=C(I)C=C1 4081 [1,0,0,0,0,0|1,0,1]=3 249 B9R1.1 OCC1=CC=C(O)C=C1 29320 [1,0,0,0,0,0|0,0,1]=2 250 B9R1.1 OCC1=CC=C(S)C=C1 6879 [1,0,0,0,0,0|0,1,1]=3 251 B9R1.1 OCC1=CN=C(Cl)C=C1 12920 [1,0,0,0,0,0|2,0,1]=4 252 B9R1.1 OCC1=NC=C(Br)C=C1 12387 [1,0,0,0,0,0|2,0,1]=4 253 B9R1.1 OCC1=NC=C(Br)C=C1 14780 [1,0,0,0,0,0|2,0,1]=4 254 B9R1.1 OCC1=NC=C(Br)C=C1 7710 [1,0,0,0,0,0|2,0,1]=4 255 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [1,0,0,0,0,0|1,1,1]=4 256 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [1,0,0,0,0,0|1,1,1]=4 257 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [1,0,0,0,0,0|2,0,0]=3 258 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [1,0,0,0,0,0|2,0,0]=3 260 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [1,0,0,0,0,0|2,0,0]=3 262 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,0,0,0,0|2,0,1]=4 267 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,0,0,0,0|2,0,1]=4 271 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,0,0,0,0,0|2,0,1]=4 272 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,0,0,0,0,0|2,0,1]=4 273 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,0,0,0,0|1,0,1]=3 274 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,0,0,0,0|2,0,1]=4 275 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,0,0,0,0|2,0,1]=4 276 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,0,0,0,0,0|2,0,1]=4 277 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,0,0,0,0|1,0,1]=3 278 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [1,0,0,0,0,0|2,0,1]=4 280 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [1,0,0,0,0,0|2,0,0]=3 285 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,0,0,0,0|1,1,0]=3 286 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,0,0,0,0|1,1,0]=3 287 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [1,0,0,0,0,0|1,0,0]=2 288 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [1,0,0,0,0,0|2,0,0]=3 290 B9R1.6 O=C(Cl)C1=CN=CN=C1 25063 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [1,0,0,0,0,0|2,0,0]=3 292 B9R1.6 O=C(Cl)C1=NC=NC=C1 15402 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [1,0,0,0,0,0|2,0,0]=3 294 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [1,0,0,0,0,0|1,0,0]=2 295 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [1,0,0,0,0,0|1,0,0]=2 296 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [1,0,0,0,0,0|2,0,0]=3 297 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [1,0,0,0,0,0|2,0,0]=3 298 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [1,0,0,0,0,0|1,0,0]=2 299 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [1,0,0,0,0,0|2,0,0]=3 300 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [1,0,0,0,0,0|2,0,0]=3 301 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [1,0,0,0,0,0|2,0,0]=3 302 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [1,0,0,0,0,0|1,0,1]=3 303 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.6 OB(O)C1=CC=CC=C1 1753 [1,0,0,0,0,0|1,0,1]=3 305 B9R1.6 OB(O)C1=CC=CN=C1 2183 [1,0,0,0,0,0|2,0,1]=4 306 B9R1.6 OB(O)C1=CC=NC=C1 5145 [1,0,0,0,0,0|2,0,1]=4 307 B9R1.6 OB(O)C1=NC=CC=C1 4076 [1,0,0,0,0,0|2,0,1]=4 308 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [1,0,0,0,0,0|0,1,0]=2 309 B11R1.3 C#CC1=CC=C(B(O)O)C=C1 33845 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 30393 [0,1,0,0,0,0|1,0,0]=2 311 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.3 C=CC1=CC=C(B(O)O)C=C1 26297 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 12624 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [0,1,0,0,0,0|1,0,1]=3 316 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [0,1,0,0,0,0|1,0,0]=2 318 B11R1.3 CCC1=CC=C(B(O)O)C=C1 7884 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 9725 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 27848 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.3 CN(C)C1=CC=C(CO)C=C1 36061 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [0,1,0,0,0,0|1,0,0]=2 324 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 21650 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.3 COC1=CC=C(B(O)O)C=C1 15445 [0,1,0,0,0,0|1,0,1]=3 326 B11R1.3 COC1=CC=C(B(O)O)C=C1 1867 [0,1,0,0,0,0|1,0,1]=3 327 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 9808 [0,1,0,0,0,0|1,0,0]=2 328 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [0,1,0,0,0,0|0,0,0]=1 329 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [0,1,0,0,0,0|1,0,0]=2 330 B11R1.3 COC1=CC=C(C(N)=S)C=C1 13558 [0,1,0,0,0,0|1,1,0]=3 331 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.3 COC1=CN=C(C(=O)O)C=C1 15176 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.3 COC1=CN=C(C(=O)O)C=N1 32117 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.3 COC1=NC=C(B(O)O)C=C1 5047 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.3 COC1=NC=C(C(=O)O)C=C1 15177 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.3 COC1=NC=C(C(C)=O)C=C1 16770 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 1207 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.3 CSC1=CC=C(B(O)O)C=C1 9544 [0,1,0,0,0,0|1,1,1]=4 341 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [0,1,0,0,0,0|1,1,0]=3 342 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 10631 [0,1,0,0,0,0|1,1,1]=4 343 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 1809 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 19745 [0,1,0,0,0,0|1,0,0]=2 345 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 9008 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 16740 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 16844 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 34552 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.3 NCC1=CC=C(B(O)O)C=C1 5251 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.3 NCC1=CC=C(B(O)O)C=C1 7897 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 5815 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 12455 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7535 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7572 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 7528 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 7538 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 6700 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 14778 [0,1,0,0,0,0|1,0,1]=3 359 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 28146 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 15446 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 12790 [0,1,0,0,0,0|0,0,0]=1 362 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 1720 [0,1,0,0,0,0|1,0,2]=4 363 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 8075 [0,1,0,0,0,0|0,0,1]=2 364 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 8163 [0,1,0,0,0,0|1,0,2]=4 365 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 7473 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 7476 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 7472 [0,1,0,0,0,0|1,0,1]=3 368 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 7903 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.3 OB(O)C1=CC=C(CCl)C=C1 8937 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.3 OCC1=CC=C(B(O)O)C=C1 1726 [0,1,0,0,0,0|1,0,1]=3 371 B11R1.3 [C-]#[N+]C1=CC=C([C@@H](C)O)C=C1 14238 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.3 [C-]#[N+]C1=CC=C([C@H](C)O)C=C1 14243 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 10215 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11532 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11533 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 12609 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16860 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16861 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 17362 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 19403 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22148 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22657 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 26313 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 14054 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 15907 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 25606 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 18694 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 35241 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 10858 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 10874 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 10873 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 10832 [0,1,0,0,0,0|1,0,1]=3 393 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 20323 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.19 NC1=NC=C(S(=O)(=O)O)C=C1 11086 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.19 NS(=O)(=O)C1=CC=C(Br)C=C1 35861 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.19 NS(=O)(=O)C1=CC=C(F)C=C1 2167 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.19 NS(=O)(=O)C1=CC=C(O)C=C1 12595 [0,1,0,0,0,0|1,0,1]=3 398 B11R1.19 O=S(=O)(Cl)C1=CC=C(Br)C=C1 6975 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.19 O=S(=O)(Cl)C1=CC=C(Cl)C=C1 6980 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.19 O=S(=O)(Cl)C1=CC=C(F)C=C1 5160 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.19 O=S(=O)(Cl)C1=CC=C(I)C=C1 6977 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.19 O=S(=O)(O)C1=CC=C(O)N=C1 11085 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.19 O=S(=O)([O-])C1=CC=C(Br)C=C1 13793 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.19 O=S(=O)([O-])C1=CC=C(Cl)C=C1 13791 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.19 O=S(=O)([O-])C1=CC=C(I)C=C1 13795 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 4011 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 4100 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 29246 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 29265 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 19762 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 15346 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [0,1,0,0,0,0|1,0,0]=2 420 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 25810 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 3089 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 24416 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 3492 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 7322 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 3384 [0,1,0,0,0,0|1,0,0]=2 429 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 28245 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 26367 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 3822 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 3804 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.21 CC1=C(Br)C=CC([N+](=O)[O-])=C1 12553 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.21 CC1=C(C)C=C(B(O)O)C=C1 1832 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [0,1,0,0,0,0|1,0,0]=2 440 B11R1.21 CC1=C(Cl)C=C(B(O)O)C=C1 5132 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [0,1,0,0,0,0|1,0,0]=2 442 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 15208 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.21 CC1=C(Cl)C=CC(B(O)O)=C1 29622 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 28594 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 30641 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [0,1,0,0,0,0|1,0,0]=2 447 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 2137 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.21 CC1=C(F)C=C(B(O)O)C=C1 5124 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [0,1,0,0,0,0|1,0,0]=2 450 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 1592 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.21 CC1=C(F)C=CC(B(O)O)=C1 5146 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 25412 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [0,1,0,0,0,0|1,0,0]=2 454 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=C1 1593 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 28676 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [0,1,0,0,0,0|1,0,0]=2 457 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 3957 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [0,1,0,0,0,0|1,0,0]=2 459 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 27627 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.21 CC1=C(N)C=C(B(O)O)C=C1 1745 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [0,1,0,0,0,0|1,0,0]=2 462 B11R1.21 CC1=C(N)C=C(C(N)=O)C=C1 35463 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.21 CC1=C(N)C=C([N+](=O)[O-])C=C1 14022 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 4512 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 33878 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [0,1,0,0,0,0|1,0,0]=2 468 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 1484 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 32616 [0,1,0,0,0,0|1,0,1]=3 470 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [0,1,0,0,0,0|0,0,0]=1 471 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 17549 [0,1,0,0,0,0|1,0,1]=3 472 B11R1.21 CC1=CC(C(=O)O)=CN=C1F 5143 [0,1,0,0,0,0|2,0,0]=3 473 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1O 1113 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] 8885 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 25391 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.21 NC(=O)C1=CC(Cl)=C(Cl)C=C1 3462 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 3459 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 35464 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 3130 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.21 NC1=C(Br)C=C([N+](=O)[O-])C=C1 4085 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.21 NC1=C(Br)C=CC([N+](=O)[O-])=C1 21903 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.21 NC1=C(Cl)C=C([N+](=O)[O-])C=C1 28292 [0,1,0,0,0,0|2,0,1]=4 483 B11R1.21 NC1=C(Cl)C=CC(B(O)O)=C1 1735 [0,1,0,0,0,0|2,0,1]=4 484 B11R1.21 NC1=C(Cl)C=CC(B(O)O)=C1 29645 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 8988 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.21 NC1=C(Cl)C=CC([N+](=O)[O-])=C1 21904 [0,1,0,0,0,0|2,0,1]=4 487 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 3524 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.21 NC1=C(F)C=C([N+](=O)[O-])C=C1 8503 [0,1,0,0,0,0|2,0,1]=4 489 B11R1.21 NC1=C(F)C=CC(B(O)O)=C1 1743 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.21 NC1=C(F)C=CC([N+](=O)[O-])=C1 8504 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 14046 [0,1,0,0,0,0|1,0,0]=2 493 B11R1.21 NC1=C(I)C=C([N+](=O)[O-])C=C1 10438 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 29055 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 14418 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.21 NC1=C(O)C=C([N+](=O)[O-])C=C1 8201 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 20504 [0,1,0,0,0,0|0,0,0]=1 498 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 14489 [0,1,0,0,0,0|1,0,1]=3 499 B11R1.21 NC1=CC([N+](=O)[O-])=CN=C1O 6516 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1N 21027 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1N 23314 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.21 Nc1ccc(C(=O)O)cc1Cl 4652 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.21 O=C(Cl)C1=CC(Br)=C(F)C=C1 25457 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 26090 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 28589 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 14796 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 28612 [0,1,0,0,0,0|1,0,0]=2 508 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3585 [0,1,0,0,0,0|1,0,0]=2 509 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1320 [0,1,0,0,0,0|1,0,0]=2 510 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 25903 [0,1,0,0,0,0|1,0,0]=2 511 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 9825 [0,1,0,0,0,0|1,0,0]=2 512 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 24806 [0,1,0,0,0,0|1,0,0]=2 513 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 3686 [0,1,0,0,0,0|1,0,0]=2 514 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 1334 [0,1,0,0,0,0|1,0,0]=2 515 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 13038 [0,1,0,0,0,0|0,0,0]=1 516 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 1316 [0,1,0,0,0,0|1,0,0]=2 517 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 1333 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 1337 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 29708 [0,1,0,0,0,0|1,0,0]=2 520 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 1388 [0,1,0,0,0,0|1,0,0]=2 521 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 2271 [0,1,0,0,0,0|0,0,0]=1 522 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 28092 [0,1,0,0,0,0|1,0,0]=2 523 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 12500 [0,1,0,0,0,0|1,0,0]=2 524 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 1390 [0,1,0,0,0,0|1,0,0]=2 525 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 28093 [0,1,0,0,0,0|1,0,0]=2 526 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 32382 [0,1,0,0,0,0|0,0,0]=1 527 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 17671 [0,1,0,0,0,0|1,0,0]=2 528 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 14051 [0,1,0,0,0,0|1,0,0]=2 529 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 3494 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 28669 [0,1,0,0,0,0|1,0,0]=2 531 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 18329 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 9738 [0,1,0,0,0,0|0,0,0]=1 533 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 29226 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=N1 29224 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 29225 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 29097 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 17514 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 24637 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 12922 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 12968 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 29238 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24638 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 21829 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.21 O=C(O)C1=CN=C(F)C(Cl)=C1 36069 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 18429 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 10618 [0,1,0,0,0,0|1,0,0]=2 547 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(Cl)C=C1 4273 [0,1,0,0,0,0|2,0,1]=4 548 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(F)C=C1 8499 [0,1,0,0,0,0|2,0,1]=4 549 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 18622 [0,1,0,0,0,0|1,0,1]=3 550 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(Br)C=C1 22601 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(Cl)C=C1 2562 [0,1,0,0,0,0|2,0,1]=4 552 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(F)C=C1 8539 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1 18908 [0,1,0,0,0,0|1,0,1]=3 554 B11R1.21 O=[N+]([O-])C1=CC(F)=C(Br)C=C1 1045 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.21 O=[N+]([O-])C1=CC(F)=C(Cl)C=C1 1050 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.21 O=[N+]([O-])C1=CC(F)=C(F)C=C1 2290 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.21 O=[N+]([O-])C1=CC(F)=C(I)C=C1 1054 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 4122 [0,1,0,0,0,0|1,0,1]=3 559 B11R1.21 O=[N+]([O-])C1=CC(I)=C(Cl)C=C1 15671 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 31132 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 1475 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 4123 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 22910 [0,1,0,0,0,0|1,0,1]=3 564 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(Br)=C1 6708 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(Cl)=C1 6536 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.21 OB(O)C1=CC(Cl)=C(Cl)C=C1 1812 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.21 OB(O)C1=CC(Cl)=C(F)C=C1 1780 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 29592 [0,1,0,0,0,0|1,0,1]=3 569 B11R1.21 OB(O)C1=CC(F)=C(Br)C=C1 7779 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 1776 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.21 OB(O)C1=CC(F)=C(F)C=C1 1821 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.21 OB(O)C1=CC(F)=C(O)C=C1 18807 [0,1,0,0,0,0|1,0,1]=3 573 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 27874 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 32617 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,1,0,0,0,0|1,0,1]=3 576 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [0,1,0,0,0,0|2,0,0]=3 585 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,1,0,0,0,0|2,0,1]=4 588 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 3962 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.22 COC(=O)C1=CC=C(C)N=N1 18664 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 3708 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 36193 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.22 COC(=O)C1=CC=C(F)C=C1 3566 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.22 COC(=O)C1=CC=C(I)C=C1 20378 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.22 COC(=O)C1=CC=C(N)C=C1 28506 [0,1,0,0,0,0|1,0,0]=2 596 B11R1.22 COC(=O)C1=CC=C(O)C=C1 27407 [0,1,0,0,0,0|0,0,0]=1 597 B11R1.22 COC(=O)C1=CC=C(O)C=C1 35335 [0,1,0,0,0,0|0,0,0]=1 598 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 14326 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 27820 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.22 COC(=O)C1=CN=C(C)C=C1 13718 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.22 COC(=O)C1=CN=C(C)N=C1 21597 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 13584 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 9777 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.22 COC(=O)C1=CN=C(F)C=C1 10629 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.22 COC(=O)C1=CN=C(N)C=C1 2418 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.22 COC(=O)C1=CN=C(N)N=C1 27978 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.22 COC(=O)C1=CNC(=O)N=C1 34673 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 10589 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 21032 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 21394 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.22 COC(=O)C1=NC=C(N)N=C1 32171 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.22 COC(=O)C1=NC=C(O)N=C1 9107 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.22 COC(=O)C1=NNC(=O)C=C1 19275 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.22 N#C[C@H](O)C1=CC=C(Br)C=C1 17476 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.22 N#C[C@H](O)C1=CC=C(Cl)C=C1 17478 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 29245 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [0,1,0,0,0,0|2,0,0]=3 619 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,1,0,0,0,0|1,0,1]=3 622 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 3743 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 3622 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 3483 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 3885 [0,1,0,0,0,0|1,0,0]=2 626 B11R1.22 NNC(=O)C1=CN=C(Cl)C=C1 18551 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 28432 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 16821 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 3260 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 13415 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 22524 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 3320 [0,1,0,0,0,0|1,0,0]=2 633 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 7424 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 3372 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 3269 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 29269 [0,1,0,0,0,0|1,0,0]=2 637 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [0,1,0,0,0,0|1,0,1]=3 638 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [0,1,0,0,0,0|1,0,1]=3 639 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [0,1,0,0,0,0|1,0,1]=3 640 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [0,1,0,0,0,0|1,0,1]=3 641 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,1,0,0,0,0|0,0,1]=2 642 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,1,0,0,0,0|1,0,2]=4 643 B11R1.166 CC(=O)C1=C(Br)C=C(Br)C=C1 29275 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 29258 [0,1,0,0,0,0|2,0,0]=3 645 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 8533 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 28228 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 29261 [0,1,0,0,0,0|1,0,0]=2 648 B11R1.166 CC(=O)C1=C(C)C=C(Br)C=C1 31226 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 3376 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29273 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 24792 [0,1,0,0,0,0|1,0,0]=2 652 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 3265 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 13619 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 4187 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 28238 [0,1,0,0,0,0|1,0,0]=2 656 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 29270 [0,1,0,0,0,0|1,0,0]=2 657 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 24789 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 4207 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 4213 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 24419 [0,1,0,0,0,0|1,0,0]=2 661 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 36301 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 27374 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 19929 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 16935 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 29061 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 13252 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 28229 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 3375 [0,1,0,0,0,0|1,0,0]=2 669 B11R1.166 CC(=O)C1=CC=C(F)N=C1F 18362 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.166 CC(=O)C1=NC=C(F)C=C1F 24328 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 35906 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.166 CC1=C(B(O)O)C=CC(Cl)=C1 29614 [0,1,0,0,0,0|2,0,1]=4 673 B11R1.166 CC1=C(B(O)O)C=CC(F)=C1 1852 [0,1,0,0,0,0|2,0,1]=4 674 B11R1.166 CC1=C(B(O)O)C=CC(O)=C1 29621 [0,1,0,0,0,0|1,0,1]=3 675 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 4029 [0,1,0,0,0,0|1,0,0]=2 676 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 4570 [0,1,0,0,0,0|1,0,0]=2 677 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 33689 [0,1,0,0,0,0|2,0,0]=3 678 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 1327 [0,1,0,0,0,0|1,0,0]=2 679 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 10626 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 10924 [0,1,0,0,0,0|1,0,0]=2 681 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=C1 35774 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Br)=C1 31561 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.166 CC1=C([N+](=O)[O-])C=CC(F)=C1 1598 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=C1 12456 [0,1,0,0,0,0|2,0,1]=4 685 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=N1 10387 [0,1,0,0,0,0|2,0,1]=4 686 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 4719 [0,1,0,0,0,0|1,0,0]=2 687 B11R1.166 CC1=CC(Br)=C([N+](=O)[O-])C=C1 31562 [0,1,0,0,0,0|2,0,1]=4 688 B11R1.166 CC1=CC(C)=C(B(O)O)C=C1 9565 [0,1,0,0,0,0|2,0,1]=4 689 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 15441 [0,1,0,0,0,0|1,0,0]=2 690 B11R1.166 CC1=CC(Cl)=C(B(O)O)C=C1 1778 [0,1,0,0,0,0|2,0,1]=4 691 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 4567 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 4534 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 23775 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 1395 [0,1,0,0,0,0|1,0,0]=2 695 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 1595 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 30572 [0,1,0,0,0,0|1,0,0]=2 697 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 4952 [0,1,0,0,0,0|1,0,0]=2 698 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 4030 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 25695 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 5702 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 32852 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.166 CC1=CC(O)=C([N+](=O)[O-])C=C1 25410 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.166 CC1=CC(O)=CC=C1[N+](=O)[O-] 21648 [0,1,0,0,0,0|1,0,1]=3 704 B11R1.166 CC1=CC(O)=NC=C1[N+](=O)[O-] 2029 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 18270 [0,1,0,0,0,0|1,0,0]=2 706 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 26524 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 11019 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 34358 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.166 C[C@H](O)C1=C(Cl)C=C(F)C=C1 15575 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 28771 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 31609 [0,1,0,0,0,0|1,0,0]=2 712 B11R1.166 NC(=O)C1=C(F)C=C(F)C=C1 3458 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 25784 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.166 NC(=S)C1=C(Cl)C=C(Cl)C=C1 20132 [0,1,0,0,0,0|2,1,0]=4 715 B11R1.166 NC1=C(B(O)O)C=CC(Cl)=C1 20178 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 13462 [0,1,0,0,0,0|1,0,0]=2 717 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 26435 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 11211 [0,1,0,0,0,0|1,0,0]=2 719 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 1323 [0,1,0,0,0,0|1,0,0]=2 720 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 22552 [0,1,0,0,0,0|1,0,0]=2 721 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Br)=C1 22358 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Cl)=C1 4369 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.166 NC1=C([N+](=O)[O-])C=CC(F)=C1 4476 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.166 NC1=CC(Br)=C([N+](=O)[O-])C=C1 4359 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 3109 [0,1,0,0,0,0|1,0,0]=2 726 B11R1.166 NC1=CC(Cl)=C([N+](=O)[O-])C=C1 9594 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 4693 [0,1,0,0,0,0|1,0,0]=2 728 B11R1.166 NC1=CC(F)=C([N+](=O)[O-])C=C1 4474 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 23542 [0,1,0,0,0,0|1,0,0]=2 730 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 33343 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 25458 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.166 O=C(Cl)C1=C(F)C=C(F)C=C1 35111 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 3856 [0,1,0,0,0,0|1,0,0]=2 734 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 4028 [0,1,0,0,0,0|1,0,0]=2 735 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 1314 [0,1,0,0,0,0|1,0,0]=2 736 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 3586 [0,1,0,0,0,0|1,0,0]=2 737 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 21313 [0,1,0,0,0,0|1,0,0]=2 738 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 18521 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 1370 [0,1,0,0,0,0|1,0,0]=2 740 B11R1.166 O=C(O)C1=C(Cl)C=C(I)C=C1 10153 [0,1,0,0,0,0|1,0,0]=2 741 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 4561 [0,1,0,0,0,0|0,0,0]=1 742 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 1225 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 1313 [0,1,0,0,0,0|1,0,0]=2 744 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 1374 [0,1,0,0,0,0|1,0,0]=2 745 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 1336 [0,1,0,0,0,0|1,0,0]=2 746 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 1384 [0,1,0,0,0,0|1,0,0]=2 747 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 2608 [0,1,0,0,0,0|0,0,0]=1 748 B11R1.166 O=C(O)C1=C(I)C=C(Br)C=C1 13466 [0,1,0,0,0,0|1,0,0]=2 749 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 4018 [0,1,0,0,0,0|1,0,0]=2 750 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 1389 [0,1,0,0,0,0|1,0,0]=2 751 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 27646 [0,1,0,0,0,0|0,0,0]=1 752 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 4010 [0,1,0,0,0,0|1,0,0]=2 753 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 3845 [0,1,0,0,0,0|1,0,0]=2 754 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 3493 [0,1,0,0,0,0|1,0,0]=2 755 B11R1.166 O=C(O)C1=C(O)C=C(I)C=C1 3888 [0,1,0,0,0,0|1,0,0]=2 756 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br 14391 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.166 O=C(O)C1=CC=C(F)N=C1F 14392 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.166 O=C(O)C1=CN=C(Cl)N=C1Cl 35960 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.166 O=C(O)C1=CN=C(O)N=C1O 9623 [0,1,0,0,0,0|2,0,0]=3 760 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br 17568 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl 17527 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 23193 [0,1,0,0,0,0|2,0,0]=3 763 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl 4005 [0,1,0,0,0,0|2,0,0]=3 764 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F 17534 [0,1,0,0,0,0|2,0,0]=3 765 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl 27639 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.166 O=C([O-])C1=C(F)C=C(F)C=C1 29707 [0,1,0,0,0,0|1,0,1]=3 767 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 23556 [0,1,0,0,0,0|2,0,1]=4 768 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(F)C=C1 4277 [0,1,0,0,0,0|2,0,1]=4 769 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(O)C=C1 33263 [0,1,0,0,0,0|1,0,1]=3 770 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1 15890 [0,1,0,0,0,0|2,0,1]=4 771 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(O)C=C1 28366 [0,1,0,0,0,0|1,0,1]=3 772 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Br)C=C1 2226 [0,1,0,0,0,0|2,0,1]=4 773 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Cl)C=C1 1051 [0,1,0,0,0,0|2,0,1]=4 774 B11R1.166 O=[N+]([O-])C1=C(F)C=C(F)C=C1 2288 [0,1,0,0,0,0|2,0,1]=4 775 B11R1.166 O=[N+]([O-])C1=C(F)C=C(I)C=C1 27694 [0,1,0,0,0,0|2,0,1]=4 776 B11R1.166 O=[N+]([O-])C1=C(F)C=C(O)C=C1 2101 [0,1,0,0,0,0|1,0,1]=3 777 B11R1.166 O=[N+]([O-])C1=C(I)C=C(Br)C=C1 27306 [0,1,0,0,0,0|2,0,1]=4 778 B11R1.166 O=[N+]([O-])C1=C(I)C=C(F)C=C1 20409 [0,1,0,0,0,0|2,0,1]=4 779 B11R1.166 O=[N+]([O-])C1=C(I)C=C(I)C=C1 19890 [0,1,0,0,0,0|2,0,1]=4 780 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Br)C=C1 16073 [0,1,0,0,0,0|2,0,1]=4 781 B11R1.166 O=[N+]([O-])C1=C(O)C=C(F)C=C1 2371 [0,1,0,0,0,0|2,0,1]=4 782 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 27732 [0,1,0,0,0,0|1,0,1]=3 783 B11R1.166 O=[N+]([O-])C1=CN=C(O)C=C1Cl 18668 [0,1,0,0,0,0|2,0,1]=4 784 B11R1.166 O=[N+]([O-])c1ccc(F)cc1Cl 4342 [0,1,0,0,0,0|2,0,1]=4 785 B11R1.166 OB(O)C1=C(Cl)C=C(Cl)C=C1 1806 [0,1,0,0,0,0|2,0,1]=4 786 B11R1.166 OB(O)C1=C(Cl)C=C(F)C=C1 5050 [0,1,0,0,0,0|2,0,1]=4 787 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 25620 [0,1,0,0,0,0|1,0,1]=3 788 B11R1.166 OB(O)C1=C(F)C=C(Br)C=C1 7778 [0,1,0,0,0,0|2,0,1]=4 789 B11R1.166 OB(O)C1=C(F)C=C(Cl)C=C1 5034 [0,1,0,0,0,0|2,0,1]=4 790 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 1815 [0,1,0,0,0,0|2,0,1]=4 791 B11R1.166 OB(O)C1=C(F)C=C(I)C=C1 7885 [0,1,0,0,0,0|2,0,1]=4 792 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 32854 [0,1,0,0,0,0|1,0,1]=3 793 B11R1.166 OB(O)C1=C(O)C=C(Cl)C=C1 33194 [0,1,0,0,0,0|2,0,1]=4 794 B11R1.166 OB(O)C1=C(O)C=C(F)C=C1 32850 [0,1,0,0,0,0|2,0,1]=4 795 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 5705 [0,0,0,1,0,0|2,0,1]=4 796 B11R2.34 BrC1=CC=C([C@H]2CO2)C=C1 5704 [0,0,0,1,0,0|2,0,1]=4 797 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 18166 [0,0,0,1,0,0|2,0,1]=4 798 B11R2.34 FC1=CC=C([C@H]2CO2)C=C1 18172 [0,0,0,1,0,0|2,0,1]=4 799 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [0,0,0,1,0,0|2,0,1]=4 800 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [0,0,0,0,1,0|3,0,0]=4 801 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [0,0,0,0,1,0|3,0,0]=4 802 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [0,0,0,0,1,0|3,0,0]=4 803 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [0,0,0,0,1,0|3,0,0]=4 804 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [0,0,0,0,1,0|3,0,0]=4 805 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [0,0,0,0,1,0|3,0,0]=4 806 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [0,0,0,0,1,0|3,0,0]=4 807 B9R1.35 CC1=CC(C(=O)O)=NO1 15552 [0,0,0,0,1,0|3,0,0]=4 808 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [0,0,0,0,1,0|2,0,0]=3 809 B9R1.35 CC1=CN=C(C(=O)O)S1 23003 [0,0,0,0,1,0|3,0,0]=4 810 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [0,0,0,0,1,0|2,0,0]=3 811 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [0,0,0,0,1,0|2,0,0]=3 812 B9R1.35 CC1=NC=C(C(=O)O)S1 22287 [0,0,0,0,1,0|3,0,0]=4 813 B9R1.35 CC1=NNC(C(=O)O)=C1 7842 [0,0,0,0,1,0|3,0,0]=4 814 B9R1.35 CN1C=C(C(=O)O)C=N1 20860 [0,0,0,0,1,0|3,0,0]=4 815 B9R1.35 CN1C=CC(C(=O)O)=C1 25790 [0,0,0,0,1,0|2,0,0]=3 816 B9R1.35 CN1C=NC(C(=O)O)=C1 9001 [0,0,0,0,1,0|3,0,0]=4 817 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [0,0,0,0,1,0|3,0,0]=4 818 B9R1.35 NC1=NC(C(=O)O)=CO1 19787 [0,0,0,0,1,0|3,0,0]=4 819 B9R1.35 NC1=NC(C(=O)O)=CS1 8903 [0,0,0,0,1,0|3,0,0]=4 820 B9R1.35 NC1=NC(C(=O)O)=CS1 9934 [0,0,0,0,1,0|3,0,0]=4 821 B9R1.35 NC1=NC=C(C(=O)O)S1 21384 [0,0,0,0,1,0|3,0,0]=4 822 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [0,0,0,0,1,0|3,0,0]=4 823 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [0,0,0,0,1,0|3,0,0]=4 824 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [0,0,0,0,1,0|2,0,0]=3 825 B9R1.35 O=C(O)C1=CC(Br)=NO1 17690 [0,0,0,0,1,0|3,0,0]=4 826 B9R1.35 O=C(O)C1=CC(O)=NO1 24875 [0,0,0,0,1,0|2,0,0]=3 827 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [0,0,0,0,1,0|2,0,0]=3 828 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [0,0,0,0,1,0|2,0,0]=3 829 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [0,0,0,0,1,0|2,0,0]=3 830 B9R1.35 O=C(O)C1=CN=C(Br)S1 15963 [0,0,0,0,1,0|3,0,0]=4 831 B9R1.35 O=C(O)C1=CN=C(Cl)S1 32212 [0,0,0,0,1,0|3,0,0]=4 832 B9R1.35 O=C(O)C1=CSC(Br)=N1 22900 [0,0,0,0,1,0|3,0,0]=4 833 B9R1.35 O=C(O)C1=NNC(Cl)=C1 23727 [0,0,0,0,1,0|3,0,0]=4 834 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,0,0,0,0,1|2,0,0]=3 835 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,0,0,0,0,1|2,0,0]=3 836 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,0,0,0,0,1|2,0,0]=3 837 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,0,0,0,0,1|1,0,0]=2 838 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,0,0,0,0,1|2,0,0]=3 839 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,0,0,0,0,1|2,0,0]=3 840 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,0,0,0,0,1|2,0,0]=3 841 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,0,0,0,0,1|1,0,0]=2 842 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,0,0,0,0,1|1,1,0]=3 843 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [0,0,0,0,0,1|3,0,0]=4 844 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [0,0,0,0,0,1|3,0,0]=4 845 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [0,0,0,0,0,1|3,0,0]=4 846 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [0,0,0,0,0,1|3,0,0]=4 847 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,0,0,0,0,1|2,0,0]=3 848 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,0,0,0,0,1|2,0,1]=4 849 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,0,0,0,0,1|1,1,0]=3 850 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 33252 [0,0,0,0,0,1|3,0,0]=4 851 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,0,0,0,0,1|1,0,0]=2 852 B11R1.20 NC(=S)NC1=CC=C(Br)C=C1 14266 [0,0,0,0,0,1|2,1,0]=4 853 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 10059 [0,0,0,0,0,1|2,1,0]=4 854 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [0,0,0,0,0,1|2,0,0]=3 855 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,0,0,0,0,1|2,0,0]=3 856 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,0,0,0,0,1|1,0,0]=2 857 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [0,0,0,0,0,1|2,0,0]=3 858 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [0,0,0,0,0,1|2,0,0]=3 859 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,0,0,0,0,1|1,0,0]=2 860 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,0,0,0,0,1|1,0,0]=2 861 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [0,0,0,0,0,1|2,0,0]=3 862 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,0,0,0,0,1|1,0,0]=2 863 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,0,0,0,0,1|1,0,0]=2 864 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,0,0,0,0,1|1,0,0]=2 865 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,0,0,0,0,1|0,0,0]=1 866 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,0,0,0,0,1|0,1,0]=2 867 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [0,0,0,0,0,1|1,0,1]=3 868 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [0,0,0,0,0,1|1,0,1]=3 869 B8R0.28 O=C(O)\C=C\CC(=O)O 35121 [1,0,1,0,0,0|1,0,1]=4 870 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,1]=4 871 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|1,0,1]=4 872 B8R1.2 C=CC1=NC=CC=C1 23910 [2,0,0,0,0,0|2,0,0]=4 873 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|2,0,0]=4 874 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|2,0,0]=4 875 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|2,0,0]=4 876 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|1,0,1]=4 877 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|1,0,1]=4 878 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 879 B8R1.2 O=CC1=CC=CN=C1 1124 [2,0,0,0,0,0|1,0,0]=3 880 B8R1.2 O=CC1=CC=CN=N1 23311 [2,0,0,0,0,0|2,0,0]=4 881 B8R1.2 O=CC1=CC=NC=C1 11745 [2,0,0,0,0,0|1,0,0]=3 882 B8R1.2 O=CC1=CN=CN=C1 5298 [2,0,0,0,0,0|2,0,0]=4 883 B8R1.2 O=CC1=NC=CC=C1 11741 [2,0,0,0,0,0|1,0,0]=3 884 B8R1.2 O=CC1=NC=CC=N1 23190 [2,0,0,0,0,0|2,0,0]=4 885 B8R1.2 O=CC1=NC=CN=C1 32140 [2,0,0,0,0,0|2,0,0]=4 886 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|1,0,1]=4 887 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|1,0,1]=4 888 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|1,0,1]=4 889 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|0,1,1]=4 890 B8R1.3 BrC1=CC=C(Br)C=C1 10875 [2,0,0,0,0,0|2,0,0]=4 891 B8R1.3 BrC1=CC=C(I)C=C1 27467 [2,0,0,0,0,0|2,0,0]=4 892 B8R1.3 BrC1=CC=C(I)C=C1 3786 [2,0,0,0,0,0|2,0,0]=4 893 B8R1.3 CC1=CC=C(Br)C=C1 21011 [2,0,0,0,0,0|1,0,1]=4 894 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [2,0,0,0,0,0|1,0,1]=4 895 B8R1.3 CC1=CC=C(F)C=C1 12887 [2,0,0,0,0,0|1,0,1]=4 896 B8R1.3 CC1=CC=C(I)C=C1 4548 [2,0,0,0,0,0|1,0,1]=4 897 B8R1.3 CC1=CC=C(O)C=C1 23326 [2,0,0,0,0,0|0,0,1]=3 898 B8R1.3 CC1=CC=C(S)C=C1 6809 [2,0,0,0,0,0|0,1,1]=4 899 B8R1.3 CC1=CN=C(O)C=C1 14321 [2,0,0,0,0,0|1,0,1]=4 900 B8R1.3 CC1=CN=C(O)C=C1 27251 [2,0,0,0,0,0|1,0,1]=4 901 B8R1.3 CC1=NC=C(O)C=C1 6696 [2,0,0,0,0,0|1,0,1]=4 902 B8R1.3 ClC1=CC=C(Br)C=C1 10226 [2,0,0,0,0,0|2,0,0]=4 903 B8R1.3 ClC1=CC=C(I)C=C1 3648 [2,0,0,0,0,0|2,0,0]=4 904 B8R1.3 FC1=CC=C(Br)C=C1 2251 [2,0,0,0,0,0|2,0,0]=4 905 B8R1.3 FC1=CC=C(Cl)C=C1 3420 [2,0,0,0,0,0|2,0,0]=4 906 B8R1.3 FC1=CC=C(F)C=C1 2309 [2,0,0,0,0,0|2,0,0]=4 907 B8R1.3 FC1=CC=C(I)C=C1 2103 [2,0,0,0,0,0|2,0,0]=4 908 B8R1.3 FC1=CC=C(S)C=C1 5431 [2,0,0,0,0,0|1,1,0]=4 909 B8R1.3 IC1=CC=C(I)C=C1 3837 [2,0,0,0,0,0|2,0,0]=4 910 B8R1.3 NC1=CC=C(Br)C=C1 3724 [2,0,0,0,0,0|2,0,0]=4 911 B8R1.3 NC1=CC=C(Cl)C=C1 16666 [2,0,0,0,0,0|2,0,0]=4 912 B8R1.3 NC1=CC=C(F)C=C1 10782 [2,0,0,0,0,0|2,0,0]=4 913 B8R1.3 NC1=CC=C(F)C=C1 5246 [2,0,0,0,0,0|2,0,0]=4 914 B8R1.3 NC1=CC=C(I)C=C1 10572 [2,0,0,0,0,0|2,0,0]=4 915 B8R1.3 NC1=CC=C(N)C=C1 22180 [2,0,0,0,0,0|2,0,0]=4 916 B8R1.3 NC1=CC=C(O)C=C1 22199 [2,0,0,0,0,0|1,0,0]=3 917 B8R1.3 NC1=CC=C(S)C=C1 2471 [2,0,0,0,0,0|1,1,0]=4 918 B8R1.3 NC1=CN=C(O)C=C1 14125 [2,0,0,0,0,0|2,0,0]=4 919 B8R1.3 NC1=CN=C(O)C=C1 6563 [2,0,0,0,0,0|2,0,0]=4 920 B8R1.3 NC1=NC=C(O)C=C1 5754 [2,0,0,0,0,0|2,0,0]=4 921 B8R1.3 O=C1C=CC(=O)C=C1 14592 [2,0,0,0,0,0|0,0,1]=3 922 B8R1.3 OC1=CC=C(Br)C=C1 19708 [2,0,0,0,0,0|1,0,0]=3 923 B8R1.3 OC1=CC=C(Br)N=C1 24844 [2,0,0,0,0,0|2,0,0]=4 924 B8R1.3 OC1=CC=C(Cl)C=C1 22009 [2,0,0,0,0,0|1,0,0]=3 925 B8R1.3 OC1=CC=C(F)C=C1 2314 [2,0,0,0,0,0|1,0,0]=3 926 B8R1.3 OC1=CC=C(I)C=C1 3199 [2,0,0,0,0,0|1,0,0]=3 927 B8R1.3 OC1=CC=C(O)C=C1 9139 [2,0,0,0,0,0|0,0,0]=2 928 B8R1.3 OC1=CC=C(O)N=N1 15702 [2,0,0,0,0,0|2,0,0]=4 929 B8R1.3 OC1=CC=C(S)C=C1 2464 [2,0,0,0,0,0|0,1,0]=3 930 B8R1.3 OC1=CN=C(Br)C=C1 5967 [2,0,0,0,0,0|2,0,0]=4 931 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [2,0,0,0,0,0|2,0,0]=4 932 B8R1.3 OC1=CN=C(F)C=C1 6321 [2,0,0,0,0,0|2,0,0]=4 933 B8R1.3 OC1=CN=C(O)C=C1 5522 [2,0,0,0,0,0|1,0,0]=3 934 B8R1.3 OC1=NC=C(Br)C=C1 1178 [2,0,0,0,0,0|2,0,0]=4 935 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [2,0,0,0,0,0|2,0,0]=4 936 B8R1.3 OC1=NC=C(F)C=C1 6566 [2,0,0,0,0,0|2,0,0]=4 937 B8R1.3 OC1=NC=C(I)C=C1 6567 [2,0,0,0,0,0|2,0,0]=4 938 B8R1.3 SC1=CC=C(Br)C=C1 4043 [2,0,0,0,0,0|1,1,0]=4 939 B8R1.3 SC1=CC=C(Cl)C=C1 6790 [2,0,0,0,0,0|1,1,0]=4 940 B8R1.3 SC1=CC=C(S)C=C1 6866 [2,0,0,0,0,0|0,2,0]=4 941 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|1,0,1]=4 942 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|1,0,1]=4 944 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.1 O=C=NC1=CC=C(Br)C=C1 23279 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.1 O=C=NC1=CC=C(F)C=C1 4996 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|1,0,0]=3 948 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|0,0,1]=3 952 B10R1.1 O\N=C\C1=CC=C(F)C=C1 24097 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.1 O\N=C\C1=CC=C(F)C=C1 3479 [1,1,0,0,0,0|1,0,0]=3 954 B10R1.1 O\N=C\C1=CN=C(Br)C=C1 20293 [1,1,0,0,0,0|2,0,0]=4 955 B10R1.3 C=CC1=CC=C(CCl)C=C1 25812 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [1,1,0,0,0,0|1,0,0]=3 957 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [1,1,0,0,0,0|0,0,0]=2 961 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.3 COC1=CC=C(CN)C=C1 4428 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.3 COC1=CC=C(CO)C=C1 19100 [1,1,0,0,0,0|0,0,1]=3 966 B10R1.3 COC1=CC=C(CS)C=C1 6839 [1,1,0,0,0,0|0,1,1]=4 967 B10R1.3 COC1=CC=C(NN)C=C1 4498 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.3 COC1=CC=C(SC)C=C1 10655 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.3 COC1=CN=C(CO)C=C1 34570 [1,1,0,0,0,0|1,0,1]=4 971 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [1,1,0,0,0,0|0,1,0]=3 973 B10R1.3 CSC1=CC=C(CO)C=C1 7470 [1,1,0,0,0,0|0,1,1]=4 974 B10R1.3 N#CC1=CC=C(C=O)C=C1 3118 [1,1,0,0,0,0|1,0,0]=3 975 B10R1.3 N#CC1=CN=C(C=O)C=C1 33545 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.3 N#CC1=NC=C(C=O)C=C1 33552 [1,1,0,0,0,0|2,0,0]=4 977 B10R1.3 N#Cc1ccc(CO)cc1 31292 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.3 O=CC1=CC=C(C=O)C=C1 35665 [1,1,0,0,0,0|0,0,1]=3 979 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [1,1,0,0,0,0|1,0,0]=3 980 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [1,1,0,0,0,0|1,0,0]=3 981 B10R1.3 OCC1=CC=C(CBr)C=C1 27440 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.25 CC1=C(C#N)C=CC(O)=C1 27578 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 25414 [1,1,0,0,0,0|1,0,0]=3 984 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 34417 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 23457 [1,1,0,0,0,0|1,0,0]=3 986 B10R1.25 CC1=C(C=O)C=CC(F)=C1 1456 [1,1,0,0,0,0|1,0,0]=3 987 B10R1.25 CC1=C(C=O)C=CC(F)=N1 17087 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.25 CC1=C(C=O)C=CC(O)=C1 3910 [1,1,0,0,0,0|0,0,0]=2 989 B10R1.25 CC1=C(CN)C=CC(O)=C1 27617 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.25 CC1=C(CO)C=CC(Br)=C1 27441 [1,1,0,0,0,0|1,0,1]=4 991 B10R1.25 CC1=CC(C)=C(C=O)C=C1 3070 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.25 CC1=CC(C)=C(CO)C=C1 35348 [1,1,0,0,0,0|1,0,1]=4 993 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 17007 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.25 CC1=CC(F)=C(C=O)C=C1 1451 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.25 CC1=CC=C(C=O)C(C)=N1 13948 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.25 CC1=CC=C(C=O)C(O)=C1 8154 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.25 CC1=NC(Cl)=CC=C1C=O 35550 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.25 CSC1=C(C)C=C(O)C=C1 10656 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 4727 [1,1,0,0,0,0|1,0,1]=4 1004 B10R1.25 N#CC1=C(F)C=C(O)C=C1 2866 [1,1,0,0,0,0|1,0,1]=4 1005 B10R1.25 N#CC1=C(F)C=C(O)C=C1 3495 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.25 N#CC1=C(O)C=C(O)C=C1 13114 [1,1,0,0,0,0|1,0,1]=4 1007 B10R1.25 NC1=C(C=O)C=CC(F)=C1 27192 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.25 NC1=C(C=O)C=NC(Cl)=C1 22052 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.25 NC1=C(CO)C=CC(Br)=C1 31328 [1,1,0,0,0,0|1,0,1]=4 1010 B10R1.25 NC1=CC(I)=C(C=O)C=C1 16530 [1,1,0,0,0,0|1,0,0]=3 1011 B10R1.25 NC1=NC=C(C=O)C(Cl)=C1 23578 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 28404 [1,1,0,0,0,0|1,0,0]=3 1013 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 16872 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 2877 [1,1,0,0,0,0|1,0,0]=3 1015 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 30961 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 28099 [1,1,0,0,0,0|0,0,0]=2 1017 B10R1.25 O=CC1=C(Br)N=C(Br)C=C1 27605 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 24612 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 1433 [1,1,0,0,0,0|1,0,0]=3 1020 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 7366 [1,1,0,0,0,0|0,0,0]=2 1021 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 1421 [1,1,0,0,0,0|1,0,0]=3 1022 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 1435 [1,1,0,0,0,0|1,0,0]=3 1023 B10R1.25 O=CC1=C(F)C=C(F)C=C1 2903 [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.25 O=CC1=C(F)C=C(I)C=C1 4219 [1,1,0,0,0,0|1,0,0]=3 1025 B10R1.25 O=CC1=C(F)C=C(O)C=C1 1442 [1,1,0,0,0,0|0,0,0]=2 1026 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 22996 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.25 O=CC1=C(I)C=C(F)C=C1 22995 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.25 O=CC1=C(I)C=C(O)C=C1 28098 [1,1,0,0,0,0|0,0,0]=2 1029 B10R1.25 O=CC1=C(O)C=C(Br)C=C1 16944 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 22142 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.25 O=CC1=C(O)C=C(F)C=C1 8483 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.25 O=CC1=C(O)C=C(O)C=C1 8218 [1,1,0,0,0,0|0,0,0]=2 1033 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl 5103 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.25 O=CC1=CC=C(F)N=C1F 18894 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.25 O=CC1=CN=C(Br)C=C1O 24436 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.25 O=CC1=NC=C(Br)C=C1F 36116 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 9781 [1,1,0,0,0,0|1,0,1]=4 1038 B10R1.25 OCC1=C(Br)C=C(F)C=C1 3222 [1,1,0,0,0,0|1,0,1]=4 1039 B10R1.25 OCC1=C(Br)C=C(I)C=C1 31340 [1,1,0,0,0,0|1,0,1]=4 1040 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 9993 [1,1,0,0,0,0|1,0,1]=4 1041 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 3426 [1,1,0,0,0,0|1,0,1]=4 1042 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 31313 [1,1,0,0,0,0|0,0,1]=3 1043 B10R1.25 OCC1=C(F)C=C(Br)C=C1 3223 [1,1,0,0,0,0|1,0,1]=4 1044 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 26669 [1,1,0,0,0,0|1,0,1]=4 1045 B10R1.25 OCC1=C(F)C=C(F)C=C1 4910 [1,1,0,0,0,0|1,0,1]=4 1046 B10R1.25 OCC1=C(I)C=C(F)C=C1 31350 [1,1,0,0,0,0|1,0,1]=4 1047 B10R1.25 OCC1=C(O)C=C(Br)C=C1 15237 [1,1,0,0,0,0|1,0,1]=4 1048 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [1,1,0,0,0,0|1,0,0]=3 1049 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 24757 [1,1,0,0,0,0|1,0,0]=3 1050 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 30935 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 4183 [1,1,0,0,0,0|1,0,0]=3 1054 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 28400 [1,1,0,0,0,0|1,0,0]=3 1055 B10R1.176 CC1=C(F)C=C(C=O)C=C1 1454 [1,1,0,0,0,0|1,0,0]=3 1056 B10R1.176 CC1=C(F)C=CC(C=O)=C1 1457 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [1,1,0,0,0,0|0,0,0]=2 1058 B10R1.176 CC1=CC(C=O)=CN=C1Br 19576 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.176 CC1=CC(C=O)=CN=C1F 17126 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.176 CC1=CC(C=O)=CN=C1O 27644 [1,1,0,0,0,0|1,0,0]=3 1061 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [1,1,0,0,0,0|1,0,1]=4 1062 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [1,1,0,0,0,0|1,0,1]=4 1063 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.176 Cc1ccc(CO)cc1Cl 23926 [1,1,0,0,0,0|1,0,1]=4 1069 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 3780 [1,1,0,0,0,0|1,0,1]=4 1070 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 4726 [1,1,0,0,0,0|1,0,1]=4 1071 B10R1.176 N#CC1=CC(F)=C(O)C=C1 2610 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.176 N#CC1=CC(O)=C(O)C=C1 3120 [1,1,0,0,0,0|1,0,1]=4 1073 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [1,1,0,0,0,0|1,0,1]=4 1074 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 7763 [1,1,0,0,0,0|1,0,0]=3 1075 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 2878 [1,1,0,0,0,0|1,0,0]=3 1076 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 3778 [1,1,0,0,0,0|0,0,0]=2 1077 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 8230 [1,1,0,0,0,0|1,0,0]=3 1078 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 1409 [1,1,0,0,0,0|1,0,0]=3 1079 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 7764 [1,1,0,0,0,0|0,0,0]=2 1080 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 4033 [1,1,0,0,0,0|1,0,0]=3 1081 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 1412 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.176 O=CC1=CC(F)=C(F)C=C1 1413 [1,1,0,0,0,0|1,0,0]=3 1083 B10R1.176 O=CC1=CC(F)=C(I)C=C1 1440 [1,1,0,0,0,0|1,0,0]=3 1084 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [1,1,0,0,0,0|0,0,0]=2 1085 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [1,1,0,0,0,0|0,0,0]=2 1086 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 28095 [1,1,0,0,0,0|1,0,0]=3 1087 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 28096 [1,1,0,0,0,0|1,0,0]=3 1088 B10R1.176 O=CC1=CC(I)=C(F)C=C1 5255 [1,1,0,0,0,0|1,0,0]=3 1089 B10R1.176 O=CC1=CC(I)=C(I)C=C1 28094 [1,1,0,0,0,0|1,0,0]=3 1090 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 16848 [1,1,0,0,0,0|1,0,0]=3 1091 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 30917 [1,1,0,0,0,0|1,0,0]=3 1092 B10R1.176 O=CC1=CC(O)=C(I)C=C1 8597 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [1,1,0,0,0,0|0,0,0]=2 1094 B10R1.176 O=CC1=CN=C(Br)C(Br)=C1 18593 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 17061 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 17052 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.176 O=CC1=CN=C(O)C(Cl)=C1 17091 [1,1,0,0,0,0|1,0,0]=3 1098 B10R1.176 OCC1=CC(Br)=C(F)C=C1 4884 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 20761 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.176 OCC1=CC(F)=C(F)C=C1 4916 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.176 OCC1=CC(F)=C(I)C=C1 31282 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.176 OCC1=CC(O)=C(F)C=C1 35161 [1,1,0,0,0,0|1,0,1]=4 1103 B10R1.176 OCC1=CC(O)=C(I)C=C1 28804 [1,1,0,0,0,0|1,0,1]=4 1104 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [1,1,0,0,0,0|0,0,1]=3 1105 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [1,1,0,0,0,0|1,0,0]=3 1109 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [1,1,0,0,0,0|1,0,0]=3 1111 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [1,1,0,0,0,0|1,0,0]=3 1113 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [1,1,0,0,0,0|1,0,0]=3 1117 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [1,1,0,0,0,0|1,0,0]=3 1118 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [1,1,0,0,0,0|1,0,0]=3 1119 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.15 NNC(=O)C1=NC=CC=C1 23651 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.15 NNC(=O)c1ccccc1 21535 [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,1,0,0,0,0|1,0,1]=4 1125 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [1,1,0,0,0,0|1,0,0]=3 1127 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [1,1,0,0,0,0|1,0,0]=3 1128 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [1,1,0,0,0,0|1,0,0]=3 1130 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [1,1,0,0,0,0|1,0,0]=3 1131 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,1,0,0,0,0|0,0,0]=2 1132 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,1,0,0,0,0|0,0,2]=4 1133 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,1,0,0,0,0|0,0,2]=4 1134 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,1,0,0,0,0|1,0,1]=4 1135 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 10862 [1,1,0,0,0,0|1,0,1]=4 1136 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 6464 [1,1,0,0,0,0|2,0,0]=4 1137 B10R1.28 O=P(O)(O)C1=CC=CC=C1 21303 [1,1,0,0,0,0|1,0,0]=3 1138 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 10441 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.28 O=S(=O)(F)C1=CC=CC=C1 14507 [1,1,0,0,0,0|1,0,1]=4 1140 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 9608 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 21767 [1,1,0,0,0,0|1,0,1]=4 1142 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [1,1,0,0,0,0|1,0,0]=3 1143 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [1,1,0,0,0,0|1,0,0]=3 1144 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [1,1,0,0,0,0|1,0,0]=3 1145 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [1,1,0,0,0,0|1,0,0]=3 1146 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [1,1,0,0,0,0|1,0,0]=3 1148 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.61 CC1=C(B(O)O)C=CC=C1 1871 [1,1,0,0,0,0|1,0,1]=4 1157 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [1,1,0,0,0,0|1,0,0]=3 1159 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [1,1,0,0,0,0|1,0,0]=3 1160 B10R1.61 CC1=C(C(O)=S)C=CC=C1 10795 [1,1,0,0,0,0|0,1,0]=3 1161 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [1,1,0,0,0,0|1,0,0]=3 1162 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [1,1,0,0,0,0|0,0,0]=2 1163 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [1,1,0,0,0,0|1,0,0]=3 1164 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.61 CC1=NC=CC=C1C(N)=O 22966 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [1,1,0,0,0,0|1,0,1]=4 1170 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [1,1,0,0,0,0|1,0,0]=3 1173 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 22133 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.61 NC(=O)C1=C(F)C=NC=C1 15252 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.61 NC(=O)C1=C(N)C=CN=C1 3187 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [1,1,0,0,0,0|1,0,0]=3 1180 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [1,1,0,0,0,0|1,0,0]=3 1181 B10R1.61 NC(=O)C1=CC=CN=C1N 14977 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.61 NC(=O)C1=NC=CC=C1N 16893 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.61 NC(=O)c1cccnc1Br 10860 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.61 NC1=C(B(O)O)C=CC=C1 1746 [1,1,0,0,0,0|1,0,1]=4 1186 B10R1.61 NC1=C(B(O)O)C=CC=C1 9885 [1,1,0,0,0,0|1,0,1]=4 1187 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [1,1,0,0,0,0|1,0,0]=3 1188 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [1,1,0,0,0,0|1,0,0]=3 1189 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [1,1,0,0,0,0|1,0,0]=3 1190 B10R1.61 NC1=C(C(=O)O)N=NC=C1 19684 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [1,1,0,0,0,0|1,0,0]=3 1192 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [1,1,0,0,0,0|1,0,0]=3 1193 B10R1.61 NC1=NC=CN=C1C(=O)O 8544 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.61 NC1=NC=NC=C1C(=O)O 21834 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [1,1,0,0,0,0|1,0,0]=3 1196 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 2599 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [1,1,0,0,0,0|0,0,0]=2 1199 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [1,1,0,0,0,0|1,0,0]=3 1200 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [1,1,0,0,0,0|1,0,0]=3 1201 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [1,1,0,0,0,0|1,0,0]=3 1202 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [1,1,0,0,0,0|1,0,0]=3 1203 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [1,1,0,0,0,0|0,0,0]=2 1204 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [1,1,0,0,0,0|1,0,0]=3 1206 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [1,1,0,0,0,0|1,0,0]=3 1207 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [1,1,0,0,0,0|0,0,0]=2 1208 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [1,1,0,0,0,0|1,0,0]=3 1209 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [1,1,0,0,0,0|1,0,0]=3 1210 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [1,1,0,0,0,0|1,0,0]=3 1211 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [1,1,0,0,0,0|1,0,0]=3 1212 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [1,1,0,0,0,0|0,0,0]=2 1213 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [1,1,0,0,0,0|1,0,0]=3 1214 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [1,1,0,0,0,0|1,0,0]=3 1215 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [1,1,0,0,0,0|1,0,0]=3 1216 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [1,1,0,0,0,0|1,0,0]=3 1217 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [1,1,0,0,0,0|1,0,0]=3 1219 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [1,1,0,0,0,0|1,0,0]=3 1220 B10R1.61 O=C(O)C1=NC=CN=C1Br 32152 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.61 O=C(O)C1=NC=CN=C1Cl 19770 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.61 O=C(O)C1=NC=CN=C1I 32124 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.61 O=C(O)C1=NC=CN=C1O 8870 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [1,1,0,0,0,0|0,0,1]=3 1225 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 3819 [1,1,0,0,0,0|1,0,1]=4 1226 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 2063 [1,1,0,0,0,0|1,0,1]=4 1227 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 3952 [1,1,0,0,0,0|1,0,1]=4 1228 B10R1.61 O=[N+]([O-])c1ccccc1Cl 18481 [1,1,0,0,0,0|1,0,1]=4 1229 B10R1.61 O=[N+]([O-])c1ccccc1F 28476 [1,1,0,0,0,0|1,0,1]=4 1230 B10R1.61 OB(O)C1=C(Br)C=CC=C1 13095 [1,1,0,0,0,0|1,0,1]=4 1231 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 1797 [1,1,0,0,0,0|1,0,1]=4 1232 B10R1.61 OB(O)C1=C(F)C=CC=C1 1856 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.61 OB(O)C1=C(I)C=CC=C1 34200 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.61 OB(O)C1=C(O)C=CC=C1 9522 [1,1,0,0,0,0|1,0,1]=4 1235 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [1,1,0,0,0,0|1,0,0]=3 1236 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [1,1,0,0,0,0|1,0,0]=3 1238 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [1,1,0,0,0,0|1,0,0]=3 1240 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [1,1,0,0,0,0|1,0,0]=3 1241 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [1,1,0,0,0,0|1,0,0]=3 1243 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [1,1,0,0,0,0|1,0,0]=3 1245 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [1,1,0,0,0,0|1,0,0]=3 1246 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [1,1,0,0,0,0|1,0,0]=3 1247 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [1,1,0,0,0,0|1,0,1]=4 1252 B10R1.113 CC1=CC(B(O)O)=CC=C1 1872 [1,1,0,0,0,0|1,0,1]=4 1253 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 14338 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [1,1,0,0,0,0|0,0,0]=2 1255 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [1,1,0,0,0,0|1,0,0]=3 1256 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [1,1,0,0,0,0|1,0,0]=3 1257 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [1,1,0,0,0,0|1,0,0]=3 1258 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [1,1,0,0,0,0|1,0,0]=3 1259 B10R1.113 CC1=CC=CC(C(O)=S)=C1 28685 [1,1,0,0,0,0|0,1,0]=3 1260 B10R1.113 CC1=NC(C(=O)O)=CN=C1 29069 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [1,1,0,0,0,0|1,0,0]=3 1262 B10R1.113 CC1=NC=CC(C(=O)O)=N1 25613 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [1,1,0,0,0,0|1,0,1]=4 1264 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [1,1,0,0,0,0|1,0,1]=4 1266 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [1,1,0,0,0,0|1,0,1]=4 1267 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [1,1,0,0,0,0|1,0,1]=4 1268 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [1,1,0,0,0,0|1,0,1]=4 1269 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25825 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25933 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [1,1,0,0,0,0|1,0,0]=3 1272 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 16641 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [1,1,0,0,0,0|1,0,0]=3 1274 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 16074 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [1,1,0,0,0,0|1,0,0]=3 1276 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [1,1,0,0,0,0|1,0,0]=3 1277 B10R1.113 NC(=O)C1=CC(N)=NC=C1 16603 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 1212 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 9223 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.113 NC(=O)C1=NC=CC(F)=C1 14534 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 20134 [1,1,0,0,0,0|1,1,0]=4 1282 B10R1.113 NC(=S)C1=CC(F)=CC=C1 35675 [1,1,0,0,0,0|1,1,0]=4 1283 B10R1.113 NC1=CC(C(=O)O)=CN=C1 15914 [1,1,0,0,0,0|1,0,0]=3 1284 B10R1.113 NC1=CC(C(=O)O)=NC=C1 22241 [1,1,0,0,0,0|1,0,0]=3 1285 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 24745 [1,1,0,0,0,0|1,0,1]=4 1286 B10R1.113 NC1=CC=CC(B(O)O)=C1 1751 [1,1,0,0,0,0|1,0,1]=4 1287 B10R1.113 NC1=CC=CC(B(O)O)=C1 20396 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.113 NC1=CC=CC(B(O)O)=C1 23780 [1,1,0,0,0,0|1,0,1]=4 1289 B10R1.113 NC1=CC=CC(B(O)O)=C1 4016 [1,1,0,0,0,0|1,0,1]=4 1290 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [1,1,0,0,0,0|1,0,0]=3 1291 B10R1.113 NC1=CN=CC(C(=O)O)=N1 32113 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2426 [1,1,0,0,0,0|1,0,0]=3 1293 B10R1.113 NC1=NC=CC(C(=O)O)=N1 29010 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [1,1,0,0,0,0|1,0,0]=3 1295 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 16064 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [1,1,0,0,0,0|1,0,0]=3 1297 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [1,1,0,0,0,0|0,0,0]=2 1298 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 9211 [1,1,0,0,0,0|1,0,0]=3 1299 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [1,1,0,0,0,0|0,0,0]=2 1300 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [1,1,0,0,0,0|1,0,0]=3 1301 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [1,1,0,0,0,0|0,0,0]=2 1302 B10R1.113 O=C(O)C1=CC(F)=NC=C1 3548 [1,1,0,0,0,0|1,0,0]=3 1303 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [1,1,0,0,0,0|0,0,0]=2 1304 B10R1.113 O=C(O)C1=CC(I)=NC=C1 16692 [1,1,0,0,0,0|1,0,0]=3 1305 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [1,1,0,0,0,0|0,0,0]=2 1306 B10R1.113 O=C(O)C1=CC(O)=NC=C1 16780 [1,1,0,0,0,0|1,0,0]=3 1307 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [1,1,0,0,0,0|0,0,0]=2 1308 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [1,1,0,0,0,0|1,0,0]=3 1309 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [1,1,0,0,0,0|1,0,0]=3 1310 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 1211 [1,1,0,0,0,0|1,0,0]=3 1311 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 11089 [1,1,0,0,0,0|1,0,0]=3 1312 B10R1.113 O=C(O)C1=CN=CC(F)=C1 10942 [1,1,0,0,0,0|1,0,0]=3 1313 B10R1.113 O=C(O)C1=CN=CC(O)=C1 2415 [1,1,0,0,0,0|1,0,0]=3 1314 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [1,1,0,0,0,0|1,0,0]=3 1315 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 27951 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 34398 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 16687 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 21879 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [1,1,0,0,0,0|1,0,0]=3 1320 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [1,1,0,0,0,0|1,0,0]=3 1321 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [1,1,0,0,0,0|1,0,0]=3 1322 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 4064 [1,1,0,0,0,0|1,0,0]=3 1323 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [1,1,0,0,0,0|1,0,0]=3 1324 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 22102 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.113 O=C(O)C1=NC=CC(I)=C1 27885 [1,1,0,0,0,0|1,0,0]=3 1326 B10R1.113 O=C(O)C1=NC=CC(O)=C1 17131 [1,1,0,0,0,0|1,0,0]=3 1327 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 23631 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.113 O=C(O)C1=NC=NC(O)=C1 12436 [1,1,0,0,0,0|2,0,0]=4 1329 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 26798 [1,1,0,0,0,0|1,0,1]=4 1330 B10R1.113 O=C1C=C(C(=O)O)C=NN1 22764 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.113 O=C1N=CC=C(C(=O)O)N1 34394 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 3820 [1,1,0,0,0,0|1,0,1]=4 1333 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 10642 [1,1,0,0,0,0|1,0,1]=4 1334 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 3954 [1,1,0,0,0,0|1,0,1]=4 1335 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 17999 [1,1,0,0,0,0|1,0,1]=4 1336 B10R1.113 OB(O)C1=CC(Br)=CC=C1 1758 [1,1,0,0,0,0|1,0,1]=4 1337 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 1785 [1,1,0,0,0,0|1,0,1]=4 1338 B10R1.113 OB(O)C1=CC(F)=CC=C1 1857 [1,1,0,0,0,0|1,0,1]=4 1339 B10R1.113 OB(O)C1=CC(I)=CC=C1 6224 [1,1,0,0,0,0|1,0,1]=4 1340 B10R1.113 OB(O)C1=CC(O)=CC=C1 1728 [1,1,0,0,0,0|1,0,1]=4 1341 B10R1.113 OB(O)C1=CC(S)=CC=C1 1861 [1,1,0,0,0,0|1,0,1]=4 1342 B10R1.113 OB(O)C1=CC(S)=CC=C1 23980 [1,1,0,0,0,0|1,0,1]=4 1343 B10R1.14 COC(=O)C1=CC(Br)=CN1 13045 [0,1,0,0,1,0|2,0,0]=4 1344 B10R1.14 COC(=O)C1=CC(O)=NO1 25470 [0,1,0,0,1,0|2,0,0]=4 1345 B10R1.14 COC(=O)C1=CC=C(Cl)S1 27226 [0,1,0,0,1,0|2,0,0]=4 1346 B10R1.14 COC(=O)C1=CC=C(N)S1 15670 [0,1,0,0,1,0|2,0,0]=4 1347 B10R1.14 COC(=O)C1=CN(C)C=C1 25789 [0,1,0,0,1,0|2,0,0]=4 1348 B10R1.14 COC(=O)C1=CSC(Br)=C1 27871 [0,1,0,0,1,0|2,0,0]=4 1349 B10R1.14 COC(=O)C1=CSC(Br)=C1 32397 [0,1,0,0,1,0|2,0,0]=4 1350 B10R1.31 CC(=O)C1=CC=C(CO)O1 24280 [0,1,0,0,1,0|2,0,0]=4 1351 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [0,1,0,0,1,0|1,1,0]=4 1352 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 7743 [0,1,0,0,1,0|2,0,0]=4 1353 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 29050 [0,1,0,0,1,0|2,0,0]=4 1354 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 7747 [0,1,0,0,1,0|2,0,0]=4 1355 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 10101 [0,1,0,0,1,0|2,0,0]=4 1356 B10R1.59 CC1=CC(C(=O)O)=C(Cl)S1 7740 [0,1,0,0,1,0|2,0,0]=4 1357 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 23985 [0,1,0,0,1,0|2,0,0]=4 1358 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 32435 [0,1,0,0,1,0|2,0,0]=4 1359 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 27356 [0,1,0,0,1,0|2,0,0]=4 1360 B10R1.194 CC1=C(C(=O)O)SC=C1Br 5272 [0,1,0,0,1,0|2,0,0]=4 1361 B10R1.194 CN1C(Br)=CC=C1C(=O)O 35544 [0,1,0,0,1,0|2,0,0]=4 1362 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,1,0,0,0,1|2,0,0]=4 1363 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 13216 [0,1,0,0,0,1|2,0,0]=4 1364 B12R1.4 CC(=O)Nc1ccc(C=O)cc1 7786 [0,1,0,0,0,1|1,0,1]=4 1365 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [0,1,0,0,0,1|2,0,0]=4 1366 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 19844 [0,1,0,0,0,1|0,0,0]=2 1367 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 22162 [0,1,0,0,0,1|2,0,0]=4 1368 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [0,1,0,0,0,1|1,0,0]=3 1369 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 10785 [0,1,0,0,0,1|0,1,0]=3 1370 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 19712 [0,1,0,0,0,1|1,0,0]=3 1371 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 31939 [0,1,0,0,0,1|1,0,0]=3 1372 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 16459 [0,1,0,0,0,1|1,0,0]=3 1373 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 19630 [0,1,0,0,0,1|0,0,0]=2 1374 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 35738 [0,1,0,0,0,1|1,0,0]=3 1375 B12R1.19 CC(=O)OC1=CC(Br)=C(Cl)C=C1 3056 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 24119 [0,1,0,0,0,1|1,0,0]=3 1377 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 10440 [0,1,0,0,0,1|1,0,0]=3 1378 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 28862 [0,1,0,0,0,1|1,0,0]=3 1379 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 5864 [0,1,0,0,0,1|1,0,0]=3 1380 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 31506 [0,1,0,0,0,1|1,0,0]=3 1381 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 31480 [0,1,0,0,0,1|0,0,0]=2 1382 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 16866 [0,1,0,0,0,1|1,0,0]=3 1383 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 31765 [0,1,0,0,0,1|1,0,0]=3 1384 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 15175 [0,1,0,0,0,1|0,0,0]=2 1385 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 31528 [0,1,0,0,0,1|1,0,0]=3 1386 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 20195 [0,1,0,0,0,1|1,0,0]=3 1387 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 4260 [0,1,0,0,0,1|1,0,0]=3 1388 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 12996 [0,1,0,0,0,1|0,0,0]=2 1389 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 35106 [0,1,0,0,0,1|1,0,0]=3 1390 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 4301 [0,1,0,0,0,1|1,0,0]=3 1391 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 4154 [0,1,0,0,0,1|1,0,0]=3 1392 B12R1.19 O=C(O)CC1=CC(F)=C(I)C=C1 31430 [0,1,0,0,0,1|1,0,0]=3 1393 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 26176 [0,1,0,0,0,1|0,0,0]=2 1394 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 24320 [0,1,0,0,0,1|0,0,0]=2 1395 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [0,1,0,0,0,1|2,0,0]=4 1396 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 14073 [0,1,0,0,0,1|1,0,0]=3 1397 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [0,1,0,0,0,1|1,0,0]=3 1398 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 31444 [0,1,0,0,0,1|1,0,0]=3 1399 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 5745 [0,1,0,0,0,1|1,0,0]=3 1400 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 20743 [0,1,0,0,0,1|1,0,0]=3 1401 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 23753 [0,1,0,0,0,1|1,0,0]=3 1402 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 5933 [0,1,0,0,0,1|1,0,0]=3 1403 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 12445 [0,1,0,0,0,1|0,0,0]=2 1404 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 13435 [0,1,0,0,0,1|1,0,0]=3 1405 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 5931 [0,1,0,0,0,1|1,0,0]=3 1406 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 13975 [0,1,0,0,0,1|0,0,0]=2 1407 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 23439 [0,1,0,0,0,1|1,0,0]=3 1408 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [0,1,0,0,0,1|0,0,0]=2 1409 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,1,0,0,0,1|1,0,0]=3 1410 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [0,1,0,0,0,1|1,0,0]=3 1411 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,1,0,0,0,1|0,0,0]=2 1412 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 8401 [0,1,0,0,0,1|2,0,0]=4 1413 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 14886 [0,1,0,0,0,1|2,0,0]=4 1414 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 31490 [0,1,0,0,0,1|1,0,0]=3 1415 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 4174 [0,1,0,0,0,1|1,0,0]=3 1416 B12R1.233 Cc1ccc(CC(=O)O)c(C)c1 26355 [0,1,0,0,0,1|1,0,0]=3 1417 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 28844 [0,1,0,0,0,1|1,0,0]=3 1418 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 11165 [0,1,0,0,0,1|1,0,0]=3 1419 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 2703 [0,1,0,0,0,1|1,0,0]=3 1420 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 31433 [0,1,0,0,0,1|1,0,0]=3 1421 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 15026 [0,1,0,0,0,1|1,0,0]=3 1422 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 2710 [0,1,0,0,0,1|1,0,0]=3 1423 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 13742 [0,1,0,0,0,1|1,0,0]=3 1424 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 4292 [0,1,0,0,0,1|1,0,0]=3 1425 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 4093 [0,1,0,0,0,1|1,0,0]=3 1426 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 4194 [0,1,0,0,0,1|0,0,0]=2 1427 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 31469 [0,1,0,0,0,1|1,0,0]=3 1428 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 15519 [0,1,0,0,0,1|0,0,0]=2 1429 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 29728 [0,2,0,0,0,0|1,0,0]=3 1430 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 28265 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 12298 [0,2,0,0,0,0|1,0,1]=4 1432 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 33537 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 19304 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 17488 [0,2,0,0,0,0|0,0,1]=3 1435 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 13652 [0,2,0,0,0,0|1,0,0]=3 1436 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24217 [0,2,0,0,0,0|1,0,0]=3 1437 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24218 [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 19720 [0,2,0,0,0,0|1,0,0]=3 1439 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 14334 [0,2,0,0,0,0|1,0,0]=3 1440 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 35347 [0,2,0,0,0,0|1,0,0]=3 1441 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [0,2,0,0,0,0|0,0,1]=3 1442 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 3261 [0,2,0,0,0,0|1,0,0]=3 1443 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 3270 [0,2,0,0,0,0|1,0,0]=3 1444 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [0,2,0,0,0,0|1,0,0]=3 1445 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 17801 [0,2,0,0,0,0|1,0,0]=3 1446 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,2,0,0,0,0|1,0,1]=4 1447 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 12343 [0,2,0,0,0,0|0,1,1]=4 1448 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 12160 [0,2,0,0,0,0|1,0,1]=4 1449 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 22236 [0,2,0,0,0,0|1,0,1]=4 1450 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 15747 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 34564 [0,2,0,0,0,0|2,0,0]=4 1452 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 36395 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.5 N#Cc1ccc(C(=O)CN)cc1 20059 [0,2,0,0,0,0|2,0,0]=4 1454 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 24425 [0,2,0,0,0,0|1,0,1]=4 1455 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 10828 [0,2,0,0,0,0|1,0,1]=4 1456 B12R1.6 NNC1=CC=C(S(=O)(=O)O)C=C1 7526 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 27549 [0,2,0,0,0,0|2,0,0]=4 1458 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 28244 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 14420 [0,2,0,0,0,0|1,0,0]=3 1460 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 30642 [0,2,0,0,0,0|0,0,1]=3 1461 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [0,2,0,0,0,0|0,0,0]=2 1462 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 21012 [0,2,0,0,0,0|1,0,0]=3 1463 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 4133 [0,2,0,0,0,0|1,0,1]=4 1464 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 33884 [0,2,0,0,0,0|1,0,1]=4 1465 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 28385 [0,2,0,0,0,0|1,0,1]=4 1466 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 29594 [0,2,0,0,0,0|1,0,1]=4 1467 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [0,2,0,0,0,0|1,0,0]=3 1468 B12R1.48 COC1=C(Cl)C=C([C@H](C)O)C=C1 15581 [0,2,0,0,0,0|1,0,1]=4 1469 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 19087 [0,2,0,0,0,0|1,0,1]=4 1470 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 1850 [0,2,0,0,0,0|1,0,1]=4 1471 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 1921 [0,2,0,0,0,0|1,0,0]=3 1472 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [0,2,0,0,0,0|0,0,0]=2 1473 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 3499 [0,2,0,0,0,0|1,0,0]=3 1474 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 2145 [0,2,0,0,0,0|1,0,1]=4 1475 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [0,2,0,0,0,0|0,0,0]=2 1476 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 5364 [0,2,0,0,0,0|1,0,1]=4 1477 B12R1.48 COC1=C(N)C=C(B(O)O)C=C1 1749 [0,2,0,0,0,0|1,0,1]=4 1478 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [0,2,0,0,0,0|0,0,0]=2 1479 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 35459 [0,2,0,0,0,0|1,0,0]=3 1480 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 11610 [0,2,0,0,0,0|1,0,1]=4 1481 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [0,2,0,0,0,0|0,0,0]=2 1482 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [0,2,0,0,0,0|1,0,0]=3 1483 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [0,2,0,0,0,0|0,0,0]=2 1484 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 30638 [0,2,0,0,0,0|1,0,0]=3 1485 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 4604 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 30636 [0,2,0,0,0,0|1,0,0]=3 1487 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 27612 [0,2,0,0,0,0|0,0,1]=3 1488 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 30603 [0,2,0,0,0,0|0,0,1]=3 1489 B12R1.48 O=CC1=C(F)C=C(C(=O)O)C=C1 30604 [0,2,0,0,0,0|0,0,1]=3 1490 B12R1.48 OCC1=C(Cl)C=C(B(O)O)C=C1 33208 [0,2,0,0,0,0|1,0,1]=4 1491 B12R1.48 OCC1=C(F)C=C(B(O)O)C=C1 33207 [0,2,0,0,0,0|1,0,1]=4 1492 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 31199 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 1836 [0,2,0,0,0,0|1,0,1]=4 1494 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 10868 [0,2,0,0,0,0|1,0,0]=3 1495 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 2686 [0,2,0,0,0,0|0,0,0]=2 1496 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 3306 [0,2,0,0,0,0|1,0,0]=3 1497 B12R1.113 CCOC1=CC=C([N+](=O)[O-])C=C1 3190 [0,2,0,0,0,0|1,0,1]=4 1498 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 32172 [0,2,0,0,0,0|2,0,0]=4 1499 B12R1.113 COCC1=CC=C(B(O)O)C=C1 29543 [0,2,0,0,0,0|1,0,1]=4 1500 B12R1.113 N#CCC1=CC=C(C(=O)O)C=C1 30607 [0,2,0,0,0,0|1,0,0]=3 1501 B12R1.113 O=C(O)C1=CC=C(C#CBr)C=C1 35913 [0,2,0,0,0,0|1,0,0]=3 1502 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 30479 [0,2,0,0,0,0|1,0,0]=3 1503 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 14282 [0,2,0,0,0,0|1,0,1]=4 1504 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 1734 [0,2,0,0,0,0|1,0,0]=3 1505 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 3129 [0,2,0,0,0,0|0,0,1]=3 1506 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 3143 [0,2,0,0,0,0|1,0,1]=4 1507 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 25951 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 20027 [0,2,0,0,0,0|1,0,0]=3 1509 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 33667 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 15338 [0,2,0,0,0,0|0,0,1]=3 1511 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 13398 [0,2,0,0,0,0|1,0,0]=3 1512 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 13419 [0,2,0,0,0,0|1,0,1]=4 1513 B12R1.256 O=C(Cl)C1=CC=C(B(O)O)C=C1 9545 [0,2,0,0,0,0|1,0,0]=3 1514 B12R1.256 O=C(Cl)C1=CC=C(C(=O)Cl)C=C1 26658 [0,2,0,0,0,0|1,0,1]=4 1515 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 22042 [0,2,0,0,0,0|1,0,1]=4 1516 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 1772 [0,2,0,0,0,0|0,0,0]=2 1517 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 26269 [0,2,0,0,0,0|0,0,0]=2 1518 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 15437 [0,2,0,0,0,0|0,0,1]=3 1519 B12R1.256 O=C(O)C1=CN=C(C(=O)O)C=C1 12991 [0,2,0,0,0,0|1,0,0]=3 1520 B12R1.256 O=C(O)C1=CN=C(C(=O)O)C=N1 8868 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.256 O=C(O)C1=NC=C(B(O)O)C=C1 24017 [0,2,0,0,0,0|1,0,0]=3 1522 B12R1.256 O=C(O)C1=NC=C([N+](=O)[O-])C=C1 15168 [0,2,0,0,0,0|1,0,1]=4 1523 B12R1.256 O=[N+]([O-])C1=CC=C(B(O)O)C=C1 24079 [0,2,0,0,0,0|1,0,1]=4 1524 B12R1.256 OB(O)C1=CC=C(B(O)O)C=C1 17889 [0,2,0,0,0,0|1,0,1]=4 1525 B12R1.452 CC(=O)C1=C(O)C=C(C#N)C=C1 29274 [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.452 CC1=C(C(=O)O)C=CC(C#N)=C1 30565 [0,2,0,0,0,0|1,0,0]=3 1527 B12R1.452 CC1=C([N+](=O)[O-])C=CC(CO)=C1 28810 [0,2,0,0,0,0|1,0,1]=4 1528 B12R1.452 CNC1=CC(Cl)=C(C(=O)O)C=C1 24164 [0,2,0,0,0,0|1,0,0]=3 1529 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 17209 [0,2,0,0,0,0|0,0,0]=2 1530 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 31150 [0,2,0,0,0,0|1,0,1]=4 1531 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 30466 [0,2,0,0,0,0|0,0,0]=2 1532 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 4149 [0,2,0,0,0,0|1,0,1]=4 1533 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 1781 [0,2,0,0,0,0|1,0,1]=4 1534 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 14030 [0,2,0,0,0,0|0,0,0]=2 1535 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 15367 [0,2,0,0,0,0|1,0,1]=4 1536 B12R1.452 COC1=CC(F)=C(C(=O)Cl)C=C1 28648 [0,2,0,0,0,0|1,0,0]=3 1537 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 4965 [0,2,0,0,0,0|0,0,0]=2 1538 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 2548 [0,2,0,0,0,0|1,0,0]=3 1539 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 4139 [0,2,0,0,0,0|1,0,1]=4 1540 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 28384 [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 11856 [0,2,0,0,0,0|0,0,0]=2 1542 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 29252 [0,2,0,0,0,0|1,0,0]=3 1543 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 5365 [0,2,0,0,0,0|1,0,1]=4 1544 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 18895 [0,2,0,0,0,0|0,0,0]=2 1545 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 3271 [0,2,0,0,0,0|1,0,0]=3 1546 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 22230 [0,2,0,0,0,0|1,0,1]=4 1547 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 15182 [0,2,0,0,0,0|1,0,0]=3 1548 B12R1.452 COC1=NC(F)=C(C(=O)O)C=C1 27964 [0,2,0,0,0,0|1,0,0]=3 1549 B12R1.452 N#CC1=CC(Br)=C(C(=O)O)C=C1 30631 [0,2,0,0,0,0|1,0,0]=3 1550 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 4603 [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.452 N#CC1=CC(N)=C(C(=O)O)C=C1 30630 [0,2,0,0,0,0|1,0,0]=3 1552 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 27325 [0,2,0,0,0,0|2,0,0]=4 1553 B12R1.23 CS(=O)(=O)C1=CC(N)=C(O)C=C1 10754 [0,2,0,0,0,0|1,0,1]=4 1554 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 26789 [0,2,0,0,0,0|1,0,0]=3 1555 B12R1.56 CC(=O)C1=CC(C#N)=C(Br)C=C1 31206 [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.56 CC(=O)C1=CC(C#N)=C(F)C=C1 31187 [0,2,0,0,0,0|2,0,0]=4 1557 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 28703 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 30639 [0,2,0,0,0,0|1,0,0]=3 1559 B12R1.56 CCC1=C(F)C=CC(C(=O)O)=C1 25823 [0,2,0,0,0,0|1,0,0]=3 1560 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 28522 [0,2,0,0,0,0|1,0,0]=3 1561 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 24786 [0,2,0,0,0,0|1,0,0]=3 1562 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 2672 [0,2,0,0,0,0|1,0,0]=3 1563 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 31231 [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [0,2,0,0,0,0|1,0,0]=3 1565 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 1394 [0,2,0,0,0,0|1,0,0]=3 1566 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 4234 [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 3131 [0,2,0,0,0,0|1,0,0]=3 1568 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 33662 [0,2,0,0,0,0|1,0,1]=4 1569 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [0,2,0,0,0,0|0,0,0]=2 1570 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 3315 [0,2,0,0,0,0|1,0,0]=3 1571 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 16519 [0,2,0,0,0,0|1,0,1]=4 1572 B12R1.56 COC1=CC(C(=O)O)=CNC1=O 26785 [0,2,0,0,0,0|1,0,1]=4 1573 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=C1 30573 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=N1 19879 [0,2,0,0,0,0|2,0,0]=4 1575 B12R1.56 N#CC1=C(F)C=CC(C(=O)O)=C1 4601 [0,2,0,0,0,0|1,0,0]=3 1576 B12R1.56 N#CC1=C(N)C=CC(C(=O)O)=C1 30606 [0,2,0,0,0,0|1,0,0]=3 1577 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 16076 [0,2,0,0,0,0|0,0,0]=2 1578 B12R1.56 N#CC1=C(O)C=CC([N+](=O)[O-])=C1 27609 [0,2,0,0,0,0|1,0,1]=4 1579 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 30476 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 25762 [0,2,0,0,0,0|0,0,0]=2 1581 B12R1.56 O=CC1=C(O)C=CC([N+](=O)[O-])=C1 2052 [0,2,0,0,0,0|1,0,1]=4 1582 B12R1.232 CC(=O)C1=C(Cl)C=C(Cl)C(F)=C1 3374 [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.232 CC(=O)C1=C(Cl)C=C(F)C(F)=C1 23586 [0,2,0,0,0,0|2,0,0]=4 1584 B12R1.232 CC(=O)C1=C(F)C=C(C)C(Cl)=C1 31201 [0,2,0,0,0,0|2,0,0]=4 1585 B12R1.232 CC(=O)C1=C(F)C=C(F)C(Br)=C1 22074 [0,2,0,0,0,0|2,0,0]=4 1586 B12R1.232 CC(=O)C1=C(F)C=C(F)C(F)=C1 4288 [0,2,0,0,0,0|2,0,0]=4 1587 B12R1.232 CC(=O)C1=C(N)C=C(Br)C(F)=C1 29128 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.232 CC(=O)C1=C(N)C=C(Cl)C(Br)=C1 29247 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.232 CC(=O)C1=C(N)C=C(Cl)C(F)=C1 29129 [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.232 CC(=O)C1=C(O)C=C(C)C(C)=C1 29281 [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.232 CC(=O)C1=C(O)C=C(F)C(F)=C1 29146 [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.232 CC(=O)c1cc(F)c(Br)cc1F 27507 [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.232 CC1=C(C(=O)O)C=C(F)C(F)=C1 8243 [0,2,0,0,0,0|1,0,0]=3 1594 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1F 1364 [0,2,0,0,0,0|1,0,0]=3 1595 B12R1.232 CC1=CC(C(=O)O)=C(Br)C=C1F 1362 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1Br 1365 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1F 8228 [0,2,0,0,0,0|1,0,0]=3 1598 B12R1.232 CC1=CC(C(=O)O)=C(N)C=C1Cl 15932 [0,2,0,0,0,0|1,0,0]=3 1599 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1Br 27675 [0,2,0,0,0,0|1,0,0]=3 1600 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C 15442 [0,2,0,0,0,0|1,0,0]=3 1601 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1Cl 30698 [0,2,0,0,0,0|1,0,0]=3 1602 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1F 30543 [0,2,0,0,0,0|1,0,0]=3 1603 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Br 35901 [0,2,0,0,0,0|1,0,0]=3 1604 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Cl 23768 [0,2,0,0,0,0|1,0,0]=3 1605 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F 4944 [0,2,0,0,0,0|1,0,0]=3 1606 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1O 28642 [0,2,0,0,0,0|1,0,0]=3 1607 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C 28519 [0,2,0,0,0,0|1,0,0]=3 1608 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I 28668 [0,2,0,0,0,0|1,0,0]=3 1609 B12R1.232 NC1=C(C(=O)O)C=C(Br)C(Br)=C1 27557 [0,2,0,0,0,0|1,0,0]=3 1610 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Br)=C1 19833 [0,2,0,0,0,0|1,0,0]=3 1611 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Cl)=C1 4657 [0,2,0,0,0,0|1,0,0]=3 1612 B12R1.232 NC1=C(C(=O)O)C=C(F)C(Cl)=C1 30560 [0,2,0,0,0,0|1,0,0]=3 1613 B12R1.232 NC1=C(C(=O)O)C=C(F)C(F)=C1 4675 [0,2,0,0,0,0|1,0,0]=3 1614 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 28514 [0,2,0,0,0,0|1,0,0]=3 1615 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1F 8202 [0,2,0,0,0,0|1,0,0]=3 1616 B12R1.232 O=C(Cl)C1=C(Cl)C=C(Cl)C(F)=C1 28614 [0,2,0,0,0,0|2,0,0]=4 1617 B12R1.232 O=C(Cl)C1=C(F)C=C(Cl)C(F)=C1 28586 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.232 O=C(Cl)C1=C(F)C=C(F)C(F)=C1 9716 [0,2,0,0,0,0|2,0,0]=4 1619 B12R1.232 O=C(O)C1=C(Br)C=C(F)C(F)=C1 4991 [0,2,0,0,0,0|1,0,0]=3 1620 B12R1.232 O=C(O)C1=C(Br)C=C(O)C(Br)=C1 30597 [0,2,0,0,0,0|0,0,0]=2 1621 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(Cl)=C1 30480 [0,2,0,0,0,0|1,0,0]=3 1622 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(F)=C1 1361 [0,2,0,0,0,0|1,0,0]=3 1623 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 1338 [0,2,0,0,0,0|1,0,0]=3 1624 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(F)=C1 1339 [0,2,0,0,0,0|1,0,0]=3 1625 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(Cl)=C1 31953 [0,2,0,0,0,0|2,0,0]=4 1626 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(F)=C1 10943 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(F)=C1 28555 [0,2,0,0,0,0|1,0,0]=3 1628 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Br)=C1 3556 [0,2,0,0,0,0|1,0,0]=3 1629 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 4615 [0,2,0,0,0,0|1,0,0]=3 1630 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(F)=C1 1367 [0,2,0,0,0,0|1,0,0]=3 1631 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Cl)=C1 1343 [0,2,0,0,0,0|1,0,0]=3 1632 B12R1.232 O=C(O)C1=C(F)C=C(F)C(F)=C1 1346 [0,2,0,0,0,0|1,0,0]=3 1633 B12R1.232 O=C(O)C1=C(I)C=C(F)C(F)=C1 18500 [0,2,0,0,0,0|1,0,0]=3 1634 B12R1.232 O=C(O)C1=C(O)C=C(F)C(Cl)=C1 30645 [0,2,0,0,0,0|1,0,0]=3 1635 B12R1.232 O=C([O-])C1=C(F)C=C(F)C(F)=C1 28699 [0,2,0,0,0,0|1,0,1]=4 1636 B12R1.232 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1Cl 31085 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.232 O=[N+]([O-])C1=CC(F)=C(O)C=C1F 31106 [0,2,0,0,0,0|1,0,1]=4 1638 B12R1.367 CC1=C(C)C=C(C(=O)CBr)C=C1 31208 [0,2,0,0,0,0|2,0,0]=4 1639 B12R1.367 CC1=C(F)C=C(C(=O)CCl)C=C1 29141 [0,2,0,0,0,0|2,0,0]=4 1640 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 29293 [0,2,0,0,0,0|2,0,0]=4 1641 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 3967 [0,2,0,0,0,0|1,0,0]=3 1642 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 18716 [0,2,0,0,0,0|1,0,0]=3 1643 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 25997 [0,2,0,0,0,0|1,0,0]=3 1644 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 30454 [0,2,0,0,0,0|1,0,0]=3 1645 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 3970 [0,2,0,0,0,0|1,0,0]=3 1646 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 3710 [0,2,0,0,0,0|1,0,0]=3 1647 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 18887 [0,2,0,0,0,0|1,0,0]=3 1648 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 2351 [0,2,0,0,0,0|1,0,0]=3 1649 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 30528 [0,2,0,0,0,0|0,0,0]=2 1650 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=C1 10935 [0,2,0,0,0,0|1,0,0]=3 1651 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 10804 [0,2,0,0,0,0|1,0,0]=3 1652 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 30511 [0,2,0,0,0,0|0,0,0]=2 1653 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 30521 [0,2,0,0,0,0|1,0,0]=3 1654 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 16655 [0,2,0,0,0,0|1,0,0]=3 1655 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 14795 [0,2,0,0,0,0|1,0,0]=3 1656 B12R1.367 COC(=O)C1=CC(F)=C(I)C=C1 30688 [0,2,0,0,0,0|1,0,0]=3 1657 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 28528 [0,2,0,0,0,0|1,0,0]=3 1658 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 30515 [0,2,0,0,0,0|1,0,0]=3 1659 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 10432 [0,2,0,0,0,0|1,0,0]=3 1660 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 27778 [0,2,0,0,0,0|0,0,0]=2 1661 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 16736 [0,2,0,0,0,0|1,0,0]=3 1662 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 10930 [0,2,0,0,0,0|1,0,0]=3 1663 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 26806 [0,2,0,0,0,0|1,0,0]=3 1664 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 10509 [0,2,0,0,0,0|1,0,0]=3 1665 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 4610 [0,2,0,0,0,0|1,0,0]=3 1666 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 28531 [0,2,0,0,0,0|0,0,0]=2 1667 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 30757 [0,2,0,0,0,0|1,0,0]=3 1668 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 13647 [0,2,0,0,0,0|1,0,0]=3 1669 B12R1.367 COC(=O)C1=CC(O)=C(F)C=C1 3567 [0,2,0,0,0,0|1,0,0]=3 1670 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 31767 [0,2,0,0,0,0|1,0,0]=3 1671 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 3149 [0,2,0,0,0,0|1,0,0]=3 1672 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 34764 [0,2,0,0,0,0|2,0,0]=4 1673 B12R1.367 COC(=O)C1=CN=C(Br)C(F)=C1 24635 [0,2,0,0,0,0|2,0,0]=4 1674 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 12980 [0,2,0,0,0,0|2,0,0]=4 1675 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 24636 [0,2,0,0,0,0|2,0,0]=4 1676 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=C1 9472 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 34542 [0,2,0,0,0,0|1,0,0]=3 1678 B12R1.367 COC(=O)c1ccc(F)c(N)c1 30508 [0,2,0,0,0,0|1,0,0]=3 1679 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 6074 [0,2,0,0,0,0|1,0,1]=4 1680 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 36477 [0,2,0,0,0,0|1,0,1]=4 1681 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 3262 [0,2,0,0,0,0|2,0,0]=4 1682 B12R1.367 O=C(CBr)C1=CC(F)=C(F)C=C1 2118 [0,2,0,0,0,0|2,0,0]=4 1683 B12R1.367 O=C(CCl)C1=CC(Cl)=C(Cl)C=C1 20021 [0,2,0,0,0,0|2,0,0]=4 1684 B12R1.367 O=C(CCl)C1=CC(F)=C(F)C=C1 13423 [0,2,0,0,0,0|2,0,0]=4 1685 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 3386 [0,2,0,0,0,0|1,0,0]=3 1686 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 29277 [0,2,0,0,0,0|1,0,0]=3 1687 B12R1.367 O=CC(=O)C1=CC(Cl)=C(Cl)C=C1 12332 [0,2,0,0,0,0|1,0,1]=4 1688 B12R1.367 O=CC(=O)C1=CC(F)=C(F)C=C1 12210 [0,2,0,0,0,0|1,0,1]=4 1689 B12R1.893 CC(=O)C1=C(F)C(F)=C(C)C=C1 29150 [0,2,0,0,0,0|2,0,0]=4 1690 B12R1.893 CC(=O)C1=C(F)C(F)=C(F)C=C1 8438 [0,2,0,0,0,0|2,0,0]=4 1691 B12R1.893 CC(=O)C1=C(F)C(O)=C(F)C=C1 29144 [0,2,0,0,0,0|2,0,0]=4 1692 B12R1.893 CC(=O)C1=C(O)C(O)=C(O)C=C1 3246 [0,2,0,0,0,0|1,0,0]=3 1693 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1F 8240 [0,2,0,0,0,0|1,0,0]=3 1694 B12R1.893 CC1=C(C)C(N)=C(C(=O)O)C=C1 4683 [0,2,0,0,0,0|1,0,0]=3 1695 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F 4943 [0,2,0,0,0,0|1,0,0]=3 1696 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C 28520 [0,2,0,0,0,0|1,0,0]=3 1697 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1F 30699 [0,2,0,0,0,0|1,0,0]=3 1698 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1Cl 17205 [0,2,0,0,0,0|1,0,0]=3 1699 B12R1.893 NC1=C(C(=O)O)C=CC(F)=C1F 28515 [0,2,0,0,0,0|1,0,0]=3 1700 B12R1.893 NC1=C(F)C(F)=C(C(=O)O)C=C1 4674 [0,2,0,0,0,0|1,0,0]=3 1701 B12R1.893 O=C(Cl)C1=C(F)C(Cl)=C(F)C=C1 4743 [0,2,0,0,0,0|2,0,0]=4 1702 B12R1.893 O=C(Cl)C1=C(F)C(F)=C(F)C=C1 28695 [0,2,0,0,0,0|2,0,0]=4 1703 B12R1.893 O=C(O)C1=C(Br)C(F)=C(F)C=C1 4992 [0,2,0,0,0,0|1,0,0]=3 1704 B12R1.893 O=C(O)C1=C(Br)C(O)=C(Br)C=C1 33930 [0,2,0,0,0,0|1,0,0]=3 1705 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(F)C=C1 4613 [0,2,0,0,0,0|1,0,0]=3 1706 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)C=C1 30701 [0,2,0,0,0,0|1,0,0]=3 1707 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)N=C1 18348 [0,2,0,0,0,0|2,0,0]=4 1708 B12R1.893 O=C(O)C1=C(Cl)C(O)=C(Br)C=C1 33931 [0,2,0,0,0,0|1,0,0]=3 1709 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 2217 [0,2,0,0,0,0|1,0,0]=3 1710 B12R1.893 O=C(O)C1=C(F)C(F)=C(Br)C=C1 4994 [0,2,0,0,0,0|1,0,0]=3 1711 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 4744 [0,2,0,0,0,0|1,0,0]=3 1712 B12R1.893 O=C(O)C1=C(F)C(F)=C(F)C=C1 1345 [0,2,0,0,0,0|1,0,0]=3 1713 B12R1.893 O=C(O)C1=C(F)C(F)=C(O)C=C1 2609 [0,2,0,0,0,0|0,0,0]=2 1714 B12R1.893 O=C(O)C1=C(F)C(O)=C(F)C=C1 4937 [0,2,0,0,0,0|1,0,0]=3 1715 B12R1.893 O=C(O)C1=C(O)C(F)=C(F)C=C1 28626 [0,2,0,0,0,0|1,0,0]=3 1716 B12R1.893 O=C(O)C1=C(O)C(O)=C(Br)C=C1 33932 [0,2,0,0,0,0|1,0,0]=3 1717 B12R1.893 O=C([O-])C1=C(F)C(F)=C(F)C=C1 28694 [0,2,0,0,0,0|1,0,1]=4 1718 B12R1.893 OB(O)C1=C(F)C(F)=C(O)C=C1 9563 [0,2,0,0,0,0|1,0,1]=4 1719 B12R1.1005 CC(=O)C1=CC(Br)=C(N)C(Br)=C1 7459 [0,2,0,0,0,0|2,0,0]=4 1720 B12R1.1005 CC(=O)C1=CC(Br)=C(O)C(Br)=C1 28246 [0,2,0,0,0,0|1,0,0]=3 1721 B12R1.1005 CC(=O)C1=CC(Cl)=C(N)C(Cl)=C1 3290 [0,2,0,0,0,0|2,0,0]=4 1722 B12R1.1005 CC(=O)C1=CC(F)=C(Br)C(F)=C1 31234 [0,2,0,0,0,0|2,0,0]=4 1723 B12R1.1005 CC(=O)C1=CC(F)=C(F)C(F)=C1 7392 [0,2,0,0,0,0|2,0,0]=4 1724 B12R1.1005 CC(=O)C1=CC(F)=C(N)C(F)=C1 4092 [0,2,0,0,0,0|2,0,0]=4 1725 B12R1.1005 CC(=O)C1=CC(F)=C(O)C(F)=C1 12937 [0,2,0,0,0,0|1,0,0]=3 1726 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1Br 3897 [0,2,0,0,0,0|1,0,0]=3 1727 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1F 30471 [0,2,0,0,0,0|1,0,0]=3 1728 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl 30468 [0,2,0,0,0,0|1,0,0]=3 1729 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1F 30540 [0,2,0,0,0,0|1,0,0]=3 1730 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1I 29115 [0,2,0,0,0,0|1,0,0]=3 1731 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1O 4755 [0,2,0,0,0,0|1,0,0]=3 1732 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1F 4694 [0,2,0,0,0,0|1,0,0]=3 1733 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O 3868 [0,2,0,0,0,0|1,0,0]=3 1734 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br 28557 [0,2,0,0,0,0|1,0,0]=3 1735 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N 24790 [0,2,0,0,0,0|1,0,0]=3 1736 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1O 16247 [0,2,0,0,0,0|0,0,0]=2 1737 B12R1.1005 CC1=CC(C(=O)O)=CC(Cl)=C1N 13409 [0,2,0,0,0,0|1,0,0]=3 1738 B12R1.1005 CC1=CC(C(=O)O)=CC(F)=C1F 28992 [0,2,0,0,0,0|1,0,0]=3 1739 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1Br 23419 [0,2,0,0,0,0|2,0,0]=4 1740 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(C)=C1O 28382 [0,2,0,0,0,0|1,0,1]=4 1741 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1Br 22563 [0,2,0,0,0,0|1,0,0]=3 1742 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 17129 [0,2,0,0,0,0|1,0,0]=3 1743 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl 14451 [0,2,0,0,0,0|1,0,0]=3 1744 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1F 28517 [0,2,0,0,0,0|1,0,0]=3 1745 B12R1.1005 NC1=C(I)C=C(C(=O)O)C=C1I 4681 [0,2,0,0,0,0|1,0,0]=3 1746 B12R1.1005 O=C(Cl)C1=CC(F)=C(F)C(F)=C1 20778 [0,2,0,0,0,0|2,0,0]=4 1747 B12R1.1005 O=C(O)C1=CC(Br)=C(Cl)C(Cl)=C1 30751 [0,2,0,0,0,0|1,0,0]=3 1748 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(F)=C1 28554 [0,2,0,0,0,0|1,0,0]=3 1749 B12R1.1005 O=C(O)C1=CC(Br)=C(O)C(Br)=C1 3857 [0,2,0,0,0,0|0,0,0]=2 1750 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 28693 [0,2,0,0,0,0|1,0,0]=3 1751 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(Cl)=C1 1378 [0,2,0,0,0,0|1,0,0]=3 1752 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 4741 [0,2,0,0,0,0|1,0,0]=3 1753 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(Cl)=C1 3689 [0,2,0,0,0,0|0,0,0]=2 1754 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 34859 [0,2,0,0,0,0|0,0,0]=2 1755 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 30704 [0,2,0,0,0,0|1,0,0]=3 1756 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 1348 [0,2,0,0,0,0|1,0,0]=3 1757 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 28627 [0,2,0,0,0,0|0,0,0]=2 1758 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 33424 [0,2,0,0,0,0|0,0,0]=2 1759 B12R1.1005 O=C(O)C1=CC(O)=C(Br)C(O)=C1 8196 [0,2,0,0,0,0|1,0,0]=3 1760 B12R1.1005 O=[N+]([O-])C1=CC(Br)=C(O)C(Br)=C1 3863 [0,2,0,0,0,0|1,0,1]=4 1761 B12R1.1005 O=[N+]([O-])C1=CC(F)=C(O)C(F)=C1 25300 [0,2,0,0,0,0|1,0,1]=4 1762 B12R1.1005 O=[N+]([O-])C1=CC(I)=C(O)C(I)=C1 3848 [0,2,0,0,0,0|1,0,1]=4 1763 B12R1.1005 OB(O)C1=CC(Cl)=C(O)C(F)=C1 32856 [0,2,0,0,0,0|1,0,1]=4 1764 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 12072 [0,2,0,0,0,0|2,0,0]=4 1765 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 21420 [0,2,0,0,0,0|1,0,0]=3 1766 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 3946 [0,2,0,0,0,0|1,0,0]=3 1767 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 15489 [0,2,0,0,0,0|1,0,0]=3 1768 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 3705 [0,2,0,0,0,0|1,0,0]=3 1769 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 15179 [0,2,0,0,0,0|2,0,0]=4 1770 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 3471 [0,2,0,0,0,0|1,0,0]=3 1771 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 3886 [0,2,0,0,0,0|1,0,0]=3 1772 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 20417 [0,2,0,0,0,0|0,0,0]=2 1773 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 27408 [0,2,0,0,0,0|0,0,0]=2 1774 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 12417 [0,2,0,0,0,0|2,0,0]=4 1775 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 23611 [0,2,0,0,0,0|1,0,1]=4 1776 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 12621 [0,2,0,0,0,0|2,0,0]=4 1777 B12R1.16 CCOC(=O)C1=NC=C(O)N=C1 30403 [0,2,0,0,0,0|2,0,0]=4 1778 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 18243 [0,2,0,0,0,0|1,0,1]=4 1779 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 12042 [0,2,0,0,0,0|2,0,0]=4 1780 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 12045 [0,2,0,0,0,0|2,0,0]=4 1781 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 12048 [0,2,0,0,0,0|2,0,0]=4 1782 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 12038 [0,2,0,0,0,0|2,0,0]=4 1783 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 13267 [0,2,0,0,0,0|2,0,0]=4 1784 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 13270 [0,2,0,0,0,0|2,0,0]=4 1785 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 13250 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 16796 [0,2,0,0,0,0|2,0,0]=4 1787 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 24408 [0,2,0,0,0,0|2,0,0]=4 1788 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 27629 [0,2,0,0,0,0|2,0,0]=4 1789 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 27568 [0,2,0,0,0,0|2,0,0]=4 1790 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 28779 [0,2,0,0,0,0|2,0,0]=4 1791 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 22934 [0,2,0,0,0,0|2,0,0]=4 1792 B12R1.1703 CNC(=O)c1ccc(N)cc1F 34919 [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 14035 [0,2,0,0,0,0|1,0,0]=3 1794 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 28546 [0,2,0,0,0,0|1,0,0]=3 1795 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 28558 [0,2,0,0,0,0|1,0,0]=3 1796 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 30570 [0,2,0,0,0,0|1,0,0]=3 1797 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 34395 [0,2,0,0,0,0|2,0,0]=4 1798 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 21350 [0,2,0,0,0,0|1,0,0]=3 1799 B12R1.1703 COC(=O)C1=C(C)C=C(Cl)C=C1 30758 [0,2,0,0,0,0|1,0,0]=3 1800 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 13977 [0,2,0,0,0,0|1,0,0]=3 1801 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 26459 [0,2,0,0,0,0|1,0,0]=3 1802 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=C1 3713 [0,2,0,0,0,0|1,0,0]=3 1803 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 18760 [0,2,0,0,0,0|1,0,0]=3 1804 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 4647 [0,2,0,0,0,0|1,0,0]=3 1805 B12R1.1703 COC(=O)C1=C(Cl)N=C(Cl)C=C1 36135 [0,2,0,0,0,0|2,0,0]=4 1806 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 18624 [0,2,0,0,0,0|1,0,0]=3 1807 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 15678 [0,2,0,0,0,0|1,0,0]=3 1808 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 28644 [0,2,0,0,0,0|1,0,0]=3 1809 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 28527 [0,2,0,0,0,0|1,0,0]=3 1810 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 28639 [0,2,0,0,0,0|0,0,0]=2 1811 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 4635 [0,2,0,0,0,0|1,0,0]=3 1812 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 30496 [0,2,0,0,0,0|1,0,0]=3 1813 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)C=C1 4643 [0,2,0,0,0,0|1,0,0]=3 1814 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 28524 [0,2,0,0,0,0|1,0,0]=3 1815 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 30520 [0,2,0,0,0,0|1,0,0]=3 1816 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 32352 [0,2,0,0,0,0|1,0,0]=3 1817 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 35728 [0,2,0,0,0,0|0,0,0]=2 1818 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O 4089 [0,2,0,0,0,0|1,0,0]=3 1819 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl 12979 [0,2,0,0,0,0|2,0,0]=4 1820 B12R1.1703 COC(=O)C1=CN=C(N)C=C1Cl 23577 [0,2,0,0,0,0|2,0,0]=4 1821 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O 25858 [0,2,0,0,0,0|1,0,0]=3 1822 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C 17156 [0,2,0,0,0,0|2,0,0]=4 1823 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl 21385 [0,2,0,0,0,0|2,0,0]=4 1824 B12R1.1703 COC(=O)c1ccc(Br)cc1Br 24437 [0,2,0,0,0,0|1,0,0]=3 1825 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 18183 [0,2,0,0,0,0|2,0,0]=4 1826 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 16751 [0,2,0,0,0,0|2,0,0]=4 1827 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 22349 [0,2,0,0,0,0|2,0,0]=4 1828 B12R1.1703 NNC(=O)C1=C(F)C=C(F)C=C1 3460 [0,2,0,0,0,0|2,0,0]=4 1829 B12R1.1703 N\C(=N/O)C1=C(Cl)C=C(Cl)C=C1 31887 [0,2,0,0,0,0|2,0,0]=4 1830 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 13425 [0,2,0,0,0,0|2,0,0]=4 1831 B12R1.1703 O=C(CBr)C1=C(F)C=C(F)C=C1 29133 [0,2,0,0,0,0|2,0,0]=4 1832 B12R1.1703 O=C(CCl)C1=C(Cl)C=C(Cl)C=C1 7499 [0,2,0,0,0,0|2,0,0]=4 1833 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 3267 [0,2,0,0,0,0|2,0,0]=4 1834 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 12166 [0,2,0,0,0,0|1,0,1]=4 1835 B12R1.57 CC1=CC(C#N)=C(C(=O)O)C=C1 30634 [0,2,0,0,0,0|1,0,0]=3 1836 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 20561 [0,2,0,0,0,0|1,0,0]=3 1837 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 30703 [0,2,0,0,0,0|1,0,0]=3 1838 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 24655 [0,2,0,0,0,0|1,0,0]=3 1839 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 32487 [0,2,0,0,0,0|2,0,0]=4 1840 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 4969 [0,2,0,0,0,0|1,0,0]=3 1841 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 27962 [0,2,0,0,0,0|2,0,0]=4 1842 B12R1.57 COC1=C(C(=O)O)C=CC(N)=C1 4934 [0,2,0,0,0,0|1,0,0]=3 1843 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 27704 [0,2,0,0,0,0|0,0,0]=2 1844 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 31217 [0,2,0,0,0,0|2,0,0]=4 1845 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 13459 [0,2,0,0,0,0|2,0,0]=4 1846 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 31215 [0,2,0,0,0,0|2,0,0]=4 1847 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 19798 [0,2,0,0,0,0|1,0,1]=4 1848 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O 18814 [0,2,0,0,0,0|2,0,0]=4 1849 B12R1.57 N#CC1=C(C(=O)O)C=CC(Br)=C1 30640 [0,2,0,0,0,0|1,0,0]=3 1850 B12R1.57 N#CC1=C(C(=O)O)C=CC(N)=C1 30727 [0,2,0,0,0,0|1,0,0]=3 1851 B12R1.57 O=CC1=C([N+](=O)[O-])C=CC(O)=C1 8205 [0,2,0,0,0,0|1,0,1]=4 1852 B12R1.1000 CC(=O)C1=C(F)C=C(Br)C=C1F 31233 [0,2,0,0,0,0|2,0,0]=4 1853 B12R1.1000 CC(=O)C1=C(F)C=C(Br)C=C1O 29168 [0,2,0,0,0,0|2,0,0]=4 1854 B12R1.1000 CC(=O)C1=C(F)C=C(Cl)C=C1F 29139 [0,2,0,0,0,0|2,0,0]=4 1855 B12R1.1000 CC(=O)C1=C(F)C=C(F)C=C1F 4290 [0,2,0,0,0,0|2,0,0]=4 1856 B12R1.1000 CC(=O)C1=C(O)C=C(C)C=C1O 3379 [0,2,0,0,0,0|2,0,0]=4 1857 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O 3402 [0,2,0,0,0,0|1,0,0]=3 1858 B12R1.1000 CC1=CC(Br)=CC(C)=C1C(=O)O 25876 [0,2,0,0,0,0|1,0,0]=3 1859 B12R1.1000 CC1=CC(Br)=CC(F)=C1C(=O)O 28567 [0,2,0,0,0,0|1,0,0]=3 1860 B12R1.1000 CC1=CC(C)=C(C(=O)Cl)C(C)=C1 13234 [0,2,0,0,0,0|2,0,0]=4 1861 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(C)=C1 13263 [0,2,0,0,0,0|1,0,0]=3 1862 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(Cl)=N1 18599 [0,2,0,0,0,0|2,0,0]=4 1863 B12R1.1000 CC1=CC(C)=NC(C)=C1C(=O)O 33322 [0,2,0,0,0,0|2,0,0]=4 1864 B12R1.1000 CC1=CC(F)=CC(Br)=C1C(=O)O 1363 [0,2,0,0,0,0|1,0,0]=3 1865 B12R1.1000 CC1=CC(F)=CC(C)=C1C(=O)O 4955 [0,2,0,0,0,0|1,0,0]=3 1866 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 27604 [0,2,0,0,0,0|1,0,0]=3 1867 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(O)=C1 3124 [0,2,0,0,0,0|1,0,0]=3 1868 B12R1.1000 CC1=CC(O)=CC(C)=C1C(=O)O 18280 [0,2,0,0,0,0|0,0,0]=2 1869 B12R1.1000 CC1=CC(O)=CC(C)=C1[N+](=O)[O-] 31118 [0,2,0,0,0,0|1,0,1]=4 1870 B12R1.1000 CC1=CC(O)=CC(O)=C1C(=O)O 44839 [0,2,0,0,0,0|0,0,0]=2 1871 B12R1.1000 NC1=C(C(=O)O)C(Cl)=CC(Cl)=C1 17204 [0,2,0,0,0,0|1,0,0]=3 1872 B12R1.1000 NC1=C(C(=O)O)C(F)=CC(F)=C1 19803 [0,2,0,0,0,0|1,0,0]=3 1873 B12R1.1000 O=C(Cl)C1=C(F)C=C(F)C=C1F 28700 [0,2,0,0,0,0|2,0,0]=4 1874 B12R1.1000 O=C(O)C1=C(Cl)C=C(Br)C=C1Cl 30531 [0,2,0,0,0,0|1,0,0]=3 1875 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1Cl 18496 [0,2,0,0,0,0|1,0,0]=3 1876 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1F 17575 [0,2,0,0,0,0|1,0,0]=3 1877 B12R1.1000 O=C(O)C1=C(Cl)C=C(F)C=C1F 28585 [0,2,0,0,0,0|1,0,0]=3 1878 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1Cl 30532 [0,2,0,0,0,0|1,0,0]=3 1879 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1F 2476 [0,2,0,0,0,0|1,0,0]=3 1880 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1F 1347 [0,2,0,0,0,0|1,0,0]=3 1881 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1O 11909 [0,2,0,0,0,0|1,0,0]=3 1882 B12R1.1000 O=C(O)C1=C(F)C=C(O)C=C1F 4938 [0,2,0,0,0,0|0,0,0]=2 1883 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O 20337 [0,2,0,0,0,0|0,0,0]=2 1884 B12R1.1000 O=[N+]([O-])C1=C(F)C=C(O)C=C1F 35966 [0,2,0,0,0,0|1,0,1]=4 1885 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|1,0,1]=4 1886 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|1,0,1]=4 1887 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 21721 [0,0,0,1,0,1|1,1,0]=4 1888 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 8551 [0,0,0,1,0,1|2,0,0]=4 1889 B12R2.606 CC1=CC2=CC=C(O)C=C2N1 19945 [0,0,0,1,0,1|2,0,0]=4 1890 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 8314 [0,0,0,1,0,1|2,0,0]=4 1891 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 33482 [0,0,0,1,0,1|2,0,0]=4 1892 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 27581 [0,0,0,1,0,1|2,0,0]=4 1893 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 24256 [0,0,0,1,0,1|1,0,0]=3 1894 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 17329 [0,0,0,1,0,1|1,1,0]=4 1895 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 33731 [0,0,0,1,0,1|2,0,0]=4 1896 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 8637 [0,0,0,1,0,1|2,0,0]=4 1897 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 21730 [0,0,0,1,0,1|1,1,0]=4 1898 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 7209 [0,0,0,1,0,1|2,0,0]=4 1899 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 34173 [0,0,0,1,0,1|2,0,0]=4 1900 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 21894 [0,0,0,1,0,1|2,0,0]=4 1901 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 20528 [0,0,0,1,0,1|1,1,0]=4 1902 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 34431 [0,0,0,1,0,1|2,0,0]=4 1903 B12R2.606 Nc1ccc2nc(=O)nc2c1 7162 [0,0,0,1,0,1|2,0,0]=4 1904 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 7169 [0,0,0,1,0,1|2,0,0]=4 1905 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 1673 [0,0,0,1,0,1|2,0,0]=4 1906 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 1687 [0,0,0,1,0,1|2,0,0]=4 1907 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [0,0,0,1,0,1|1,0,0]=3 1908 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 18044 [0,0,0,1,0,1|2,0,0]=4 1909 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 7320 [0,0,0,1,0,1|2,0,0]=4 1910 B12R2.606 O=C1CC2=CC=C(Cl)C=C2C1 18039 [0,0,0,1,0,1|2,0,0]=4 1911 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 1674 [0,0,0,1,0,1|2,0,0]=4 1912 B12R2.606 O=C1CC2=CC=C(F)C=C2C1 18032 [0,0,0,1,0,1|2,0,0]=4 1913 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 1688 [0,0,0,1,0,1|2,0,0]=4 1914 B12R2.606 O=C1CC2=CC=C(I)C=C2C1 18087 [0,0,0,1,0,1|2,0,0]=4 1915 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 21893 [0,0,0,1,0,1|1,0,0]=3 1916 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 21839 [0,0,0,1,0,1|1,1,0]=4 1917 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)O1 8644 [0,0,0,1,0,1|1,0,0]=3 1918 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 21837 [0,0,0,1,0,1|1,1,0]=4 1919 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 21892 [0,0,0,1,0,1|2,0,0]=4 1920 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 21841 [0,0,0,1,0,1|2,0,0]=4 1921 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 8642 [0,0,0,1,0,1|2,0,0]=4 1922 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 13573 [0,0,0,1,0,1|2,0,0]=4 1923 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 17712 [0,0,0,1,0,1|2,0,0]=4 1924 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 26466 [0,0,0,1,0,1|2,0,0]=4 1925 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 15342 [0,0,0,1,0,1|0,1,0]=3 1926 B12R2.606 SC1=NC2=C(C=C(Cl)C=C2)O1 8714 [0,0,0,1,0,1|1,1,0]=4 1927 B12R2.1384 O=C(O)C1=CC2=C(C=C1)C=C2 25599 [0,1,0,1,0,0|1,0,0]=3 1928 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,1,0,1,0,0|2,0,0]=4 1929 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 32472 [0,1,0,1,0,0|2,0,0]=4 1930 B12R2.612 CC1=NNC2=CC(O)=CC=C21 18073 [0,1,0,1,0,0|2,0,0]=4 1931 B12R2.612 CC1=NOC2=C1C=CC(Br)=C2 24259 [0,1,0,1,0,0|2,0,0]=4 1932 B12R2.612 CC1=NOC2=C1C=CC(Cl)=C2 26079 [0,1,0,1,0,0|2,0,0]=4 1933 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 27620 [0,1,0,1,0,0|2,0,0]=4 1934 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [0,1,0,1,0,0|2,0,0]=4 1935 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 25145 [0,1,0,1,0,0|2,0,0]=4 1936 B12R2.612 NC1=CC=C2C(=O)OCC2=C1 25214 [0,1,0,1,0,0|1,0,0]=3 1937 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [0,1,0,1,0,0|2,0,0]=4 1938 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [0,1,0,1,0,0|2,0,0]=4 1939 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [0,1,0,1,0,0|2,0,0]=4 1940 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [0,1,0,1,0,0|2,0,0]=4 1941 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [0,1,0,1,0,0|1,0,0]=3 1942 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 17998 [0,1,0,1,0,0|1,0,0]=3 1943 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 17996 [0,1,0,1,0,0|1,0,0]=3 1944 B12R2.612 O=C1COC2=C1C=CC(I)=C2 22336 [0,1,0,1,0,0|1,0,0]=3 1945 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [0,1,0,1,0,0|0,0,0]=2 1946 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 35478 [0,1,0,1,0,0|2,0,0]=4 1947 B12R2.612 O=C1NCC2=CC(F)=CC=C12 31701 [0,1,0,1,0,0|2,0,0]=4 1948 B12R2.612 O=C1NCc2cc(O)ccc21 31625 [0,1,0,1,0,0|1,0,0]=3 1949 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 20699 [0,1,0,1,0,0|1,0,0]=3 1950 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 11268 [0,1,0,1,0,0|1,0,1]=4 1951 B8R1.1 CC1=CC(C=O)=CS1 34688 [1,0,0,0,1,0|2,0,0]=4 1952 B8R1.1 CC1=CC=C(C=O)O1 9971 [1,0,0,0,1,0|2,0,0]=4 1953 B8R1.1 CC1=CC=C(C=O)S1 5205 [1,0,0,0,1,0|2,0,0]=4 1954 B8R1.1 O=CC1=CC(Br)=CO1 3545 [1,0,0,0,1,0|2,0,0]=4 1955 B8R1.1 O=CC1=CC(Br)=CS1 5188 [1,0,0,0,1,0|2,0,0]=4 1956 B8R1.1 O=CC1=CC=C(Br)O1 27066 [1,0,0,0,1,0|2,0,0]=4 1957 B8R1.1 O=CC1=CC=C(Br)S1 10834 [1,0,0,0,1,0|2,0,0]=4 1958 B8R1.1 O=CC1=CC=C(Br)S1 16744 [1,0,0,0,1,0|2,0,0]=4 1959 B8R1.1 O=CC1=CC=C(Cl)S1 7742 [1,0,0,0,1,0|2,0,0]=4 1960 B8R1.1 O=CC1=CSC(Br)=C1 20351 [1,0,0,0,1,0|2,0,0]=4 1961 B8R1.7 CC(=O)C1=CC=CN1 20915 [1,0,0,0,1,0|2,0,0]=4 1962 B8R1.7 CC(=O)C1=CC=CO1 6939 [1,0,0,0,1,0|2,0,0]=4 1963 B8R1.7 CC(=O)C1=CC=CS1 5172 [1,0,0,0,1,0|2,0,0]=4 1964 B8R1.7 CC(=O)C1=CNC=C1 22508 [1,0,0,0,1,0|2,0,0]=4 1965 B8R1.7 CC(=O)C1=CSC=C1 5220 [1,0,0,0,1,0|2,0,0]=4 1966 B8R1.7 CC(C)=C1C=CC=C1 35011 [1,0,0,0,1,0|2,0,0]=4 1967 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [1,0,0,0,1,0|2,0,0]=4 1968 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [1,0,0,0,1,0|2,0,0]=4 1969 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [1,0,0,0,1,0|2,0,0]=4 1970 B8R1.7 O=C(O)C1=CC=CN1 15698 [1,0,0,0,1,0|1,0,0]=3 1971 B8R1.7 O=C(O)C1=CC=CO1 6946 [1,0,0,0,1,0|1,0,0]=3 1972 B8R1.7 O=C(O)C1=CC=CS1 5157 [1,0,0,0,1,0|1,0,0]=3 1973 B8R1.7 O=C(O)C1=CC=NN1 12935 [1,0,0,0,1,0|2,0,0]=4 1974 B8R1.7 O=C(O)C1=CC=NN1 35926 [1,0,0,0,1,0|2,0,0]=4 1975 B8R1.7 O=C(O)C1=CC=NO1 8643 [1,0,0,0,1,0|2,0,0]=4 1976 B8R1.7 O=C(O)C1=CC=NS1 30427 [1,0,0,0,1,0|2,0,0]=4 1977 B8R1.7 O=C(O)C1=CN=CN1 9003 [1,0,0,0,1,0|2,0,0]=4 1978 B8R1.7 O=C(O)C1=CN=CS1 14533 [1,0,0,0,1,0|2,0,0]=4 1979 B8R1.7 O=C(O)C1=CNC=C1 8345 [1,0,0,0,1,0|1,0,0]=3 1980 B8R1.7 O=C(O)C1=CNN=C1 13293 [1,0,0,0,1,0|2,0,0]=4 1981 B8R1.7 O=C(O)C1=COC=C1 6945 [1,0,0,0,1,0|1,0,0]=3 1982 B8R1.7 O=C(O)C1=COC=N1 11025 [1,0,0,0,1,0|2,0,0]=4 1983 B8R1.7 O=C(O)C1=CON=C1 8775 [1,0,0,0,1,0|2,0,0]=4 1984 B8R1.7 O=C(O)C1=CSC=C1 7735 [1,0,0,0,1,0|1,0,0]=3 1985 B8R1.7 O=C(O)C1=CSC=N1 35764 [1,0,0,0,1,0|2,0,0]=4 1986 B8R1.7 O=C(O)C1=NC=CN1 25373 [1,0,0,0,1,0|2,0,0]=4 1987 B8R1.7 O=C(O)C1=NC=CS1 16257 [1,0,0,0,1,0|2,0,0]=4 1988 B8R1.7 O=C(O)C1=NOC=C1 12341 [1,0,0,0,1,0|2,0,0]=4 1989 B8R1.7 O=C(O)C1=NSC=C1 22100 [1,0,0,0,1,0|2,0,0]=4 1990 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [1,0,0,0,1,0|0,0,1]=3 1991 B8R1.7 O=C([O-])C1=CC=CS1 32366 [1,0,0,0,1,0|1,0,1]=4 1992 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [1,0,0,0,0,1|2,0,0]=4 1993 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [1,0,0,0,0,1|2,0,0]=4 1994 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,0,0,0,0,1|1,0,0]=3 1995 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,0,0,0,0,1|1,0,1]=4 1996 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,0,0,0,0,1|1,1,0]=4 1997 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,0,0,0,0,1|1,0,0]=3 1998 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [1,0,0,0,0,1|1,0,0]=3 1999 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [1,0,0,0,0,1|1,0,0]=3 2000 B10R1.18 O=C(O)CC1=CN=CN=C1 13279 [1,0,0,0,0,1|2,0,0]=4 2001 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [1,0,0,0,0,1|1,0,0]=3 2002 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,0,0,0,0,1|0,0,1]=3 2003 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,0,0,0,0,1|1,0,1]=4 2004 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [1,0,0,0,0,1|1,0,1]=4 2005 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,0,0,0,0,1|0,1,0]=3 2006 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [0,0,0,0,0,2|1,0,0]=3 2007 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [0,0,0,0,0,2|1,0,0]=3 2008 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [0,0,0,0,0,2|1,0,0]=3 2009 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [0,0,0,0,0,2|1,0,0]=3 2010 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 28158 [0,0,0,0,0,2|2,0,0]=4 2011 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [0,0,0,0,0,2|1,0,0]=3 2012 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [0,0,0,0,0,2|1,0,0]=3 2013 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [0,0,0,0,0,2|1,0,0]=3 2014 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [0,0,0,0,0,2|1,0,0]=3 2015 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [0,0,0,0,0,2|1,0,0]=3 2016 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [0,0,0,0,0,2|1,0,0]=3 2017 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [0,0,0,0,0,2|0,0,0]=2 2018 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [0,0,0,0,0,2|0,0,0]=2