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|1,0,0]=1 2 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 17693 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [0,0,0,0,0,0|1,0,0]=1 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|2,0,0]=2 10 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [0,0,0,0,0,0|2,0,0]=2 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|2,0,0]=2 14 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.13 CC1=CC=C(B(O)O)C=N1 17081 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.13 CC1=CC=C(C(=O)O)N=N1 18650 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [0,0,0,0,0,0|0,0,2]=2 35 B10R1.13 CC1=CN=C(B(O)O)C=C1 6938 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.13 CC1=CN=C(C(=O)O)C=N1 8550 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.13 CC1=CN=C(C(=O)O)N=C1 35346 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.13 CC1=NC=C(C(=O)O)C=N1 13290 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 6699 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.13 CN(C)C1=CC=C(Br)N=C1 33778 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.13 CN(C)C1=NC=C(Br)C=C1 5051 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.13 CN(C)C1=NC=C(N)C=C1 15373 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.13 CN(C)c1ccc(N)cc1 21651 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [0,0,0,0,0,0|1,0,2]=3 55 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [0,0,0,0,0,0|1,0,2]=3 56 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [0,0,0,0,0,0|1,0,2]=3 57 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [0,0,0,0,0,0|2,0,1]=3 58 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [0,0,0,0,0,0|1,0,2]=3 61 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [0,0,0,0,0,0|1,0,2]=3 62 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [0,0,0,0,0,0|1,0,2]=3 63 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [0,0,0,0,0,0|2,0,1]=3 64 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [0,0,0,0,0,0|1,0,1]=2 65 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 25824 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.13 N=C(N)C1=CC=C(N)C=C1 13445 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.13 NC(=O)C1=CC=C(Cl)N=N1 35945 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [0,0,0,0,0,0|2,0,0]=2 75 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 32127 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.13 NC(=O)C1=NC=C(N)C=C1 17853 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.13 NC(=O)C1=NC=C(N)C=N1 25348 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.13 NC(=O)C1=NC=C(N)N=C1 32178 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 10912 [0,0,0,0,0,0|2,1,0]=3 81 B10R1.13 NC(=S)C1=CC=C(N)C=C1 13560 [0,0,0,0,0,0|2,1,0]=3 82 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [0,0,0,0,0,0|2,1,0]=3 83 B10R1.13 NC1=CC=C(B(O)O)C=C1 17155 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.13 NC1=CC=C(B(O)O)C=C1 1747 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.13 NC1=CC=C(B(O)O)C=C1 6329 [0,0,0,0,0,0|3,0,1]=4 86 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [0,0,0,0,0,0|2,0,0]=2 87 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 2098 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.13 NC1=CN=C(C(=O)O)C=N1 7866 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.13 NC1=NC=C(C(=O)O)C=N1 18198 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 1157 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [0,0,0,0,0,0|2,0,0]=2 97 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [0,0,0,0,0,0|2,0,0]=2 98 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [0,0,0,0,0,0|2,0,0]=2 99 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 18665 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 5141 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [0,0,0,0,0,0|2,0,0]=2 102 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [0,0,0,0,0,0|2,0,0]=2 103 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 17692 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [0,0,0,0,0,0|2,0,0]=2 105 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [0,0,0,0,0,0|2,0,0]=2 106 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [0,0,0,0,0,0|2,0,0]=2 107 B10R1.13 O=C(O)C1=CC=C(O)N=N1 16854 [0,0,0,0,0,0|4,0,0]=4 108 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 29068 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 16922 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [0,0,0,0,0,0|3,0,0]=3 117 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 29199 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 24823 [0,0,0,0,0,0|4,0,0]=4 119 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 24616 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 2286 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 4436 [0,0,0,0,0,0|3,0,0]=3 126 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [0,0,0,0,0,0|3,0,0]=3 127 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 27826 [0,0,0,0,0,0|4,0,0]=4 128 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 5422 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.13 O=[N+]([O-])C1=CC=[N+]([O-])C=C1 2588 [0,0,0,0,0,0|4,0,0]=4 130 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=C1 1183 [0,0,0,0,0,0|4,0,0]=4 131 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 1190 [0,0,0,0,0,0|4,0,0]=4 132 B10R1.13 O=[N+]([O-])C1=CN=C(F)C=C1 1202 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.13 O=[N+]([O-])C1=CN=C(I)C=C1 6575 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 1205 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 6691 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.13 O=[N+]([O-])C1=NC=C(Cl)C=C1 6693 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.13 O=[N+]([O-])C1=NC=C(F)C=C1 35597 [0,0,0,0,0,0|4,0,0]=4 138 B10R1.13 O=[N+]([O-])c1ccc(Br)cc1 27491 [0,0,0,0,0,0|3,0,0]=3 139 B10R1.13 OB(O)C1=CC=C(Br)C=C1 1763 [0,0,0,0,0,0|3,0,1]=4 140 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 1798 [0,0,0,0,0,0|3,0,1]=4 141 B10R1.13 OB(O)C1=CC=C(F)C=C1 1858 [0,0,0,0,0,0|3,0,1]=4 142 B10R1.13 OB(O)C1=CC=C(I)C=C1 6160 [0,0,0,0,0,0|3,0,1]=4 143 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [0,0,0,0,0,0|3,0,1]=4 144 B10R1.13 OB(O)C1=CC=C(S)C=C1 1862 [0,0,0,0,0,0|3,0,1]=4 145 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [0,0,0,0,0,0|3,0,1]=4 146 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [1,0,0,0,0,0|0,0,2]=3 149 B9R1.1 C#CC1=CC=C(F)C=C1 16719 [1,0,0,0,0,0|1,0,2]=4 150 B9R1.1 C#CC1=CC=C(I)C=C1 34237 [1,0,0,0,0,0|1,0,2]=4 151 B9R1.1 C#CC1=CC=C(N)C=C1 26130 [1,0,0,0,0,0|1,0,2]=4 152 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [1,0,0,0,0,0|1,0,1]=3 153 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [1,0,0,0,0,0|1,0,1]=3 154 B9R1.1 C=CC1=CC=C(N)C=N1 26083 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.1 C=CC1=CN=C(Br)C=C1 27635 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [1,0,0,0,0,0|1,0,1]=3 157 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [1,0,0,0,0,0|1,0,1]=3 158 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [1,0,0,0,0,0|0,0,0]=1 159 B9R1.1 CC1=CC=C(CN)C=C1 10199 [1,0,0,0,0,0|1,0,1]=3 160 B9R1.1 CC1=CC=C(CO)C=N1 27403 [1,0,0,0,0,0|1,0,2]=4 161 B9R1.1 CC1=CC=C(NN)C=C1 4500 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.1 CC1=CN=C(C#N)C=C1 12978 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [1,0,0,0,0,0|1,0,0]=2 164 B9R1.1 CC1=CN=C(C=O)C=N1 32176 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.1 CC1=NC=C(C#N)C=C1 6695 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.1 CC1=NC=C(NN)C=C1 19456 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.1 CC1=NC=C(NN)C=C1 26049 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [1,0,0,0,0,0|1,0,1]=3 170 B9R1.1 CCC1=CC=C(C)C=C1 21843 [1,0,0,0,0,0|0,0,1]=2 171 B9R1.1 CCC1=CC=C(I)C=C1 3877 [1,0,0,0,0,0|1,0,1]=3 172 B9R1.1 CCC1=CC=C(N)C=C1 26342 [1,0,0,0,0,0|1,0,1]=3 173 B9R1.1 CCC1=CC=C(O)C=C1 3874 [1,0,0,0,0,0|1,0,1]=3 174 B9R1.1 CCC1=CC=C(S)C=C1 6813 [1,0,0,0,0,0|1,0,1]=3 175 B9R1.1 CCC1=CN=C(C)C=C1 10482 [1,0,0,0,0,0|1,0,1]=3 176 B9R1.1 CCC1=CN=C(C)C=C1 18256 [1,0,0,0,0,0|1,0,1]=3 177 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [1,0,0,0,0,0|2,0,1]=4 178 B9R1.1 CCC1=NC=C(N)C=C1 25855 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.1 CCc1ccc(F)cc1 22752 [1,0,0,0,0,0|1,0,1]=3 180 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.1 CNC1=CC=C(I)C=C1 28328 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.1 CNC1=NC=C(Br)C=C1 22084 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 COC1=CC=C(Br)C=C1 3726 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.1 COC1=CC=C(C)N=C1 6640 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.1 COC1=CC=C(F)C=C1 3475 [1,0,0,0,0,0|2,0,0]=3 187 B9R1.1 COC1=CC=C(I)C=C1 3911 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.1 COC1=CC=C(N)C=C1 21392 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.1 COC1=CC=C(N)C=C1 36098 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.1 COC1=CC=C(O)C=C1 14584 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.1 COC1=CC=C(O)C=C1 2276 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.1 COC1=CC=C(S)C=C1 6822 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.1 COC1=CC=[N+]([O-])C=C1 2587 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.1 COC1=CN=C(Br)C=C1 15210 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.1 COC1=CN=C(Cl)C=C1 6222 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.1 COC1=CN=C(F)C=C1 33665 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.1 COC1=CN=C(N)C=C1 23280 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.1 COC1=NC=C(Br)C=C1 2408 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.1 COC1=NC=C(C)C=C1 6609 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.1 COC1=NC=C(Cl)C=C1 6602 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.1 COC1=NC=C(F)C=C1 11248 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.1 COC1=NC=C(I)C=C1 6606 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.1 COC1=NC=C(N)C=C1 1270 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.1 COC1=NC=C(O)C=C1 16171 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [1,0,0,0,0,0|2,0,0]=3 206 B9R1.1 CSC1=CC=C(C)C=C1 10672 [1,0,0,0,0,0|1,0,0]=2 207 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.1 CSC1=CC=C(F)C=C1 10641 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.1 CSC1=CC=C(I)C=C1 10670 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.1 CSC1=CC=C(N)C=C1 10636 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.1 CSC1=CC=C(O)C=C1 15277 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.1 CSC1=CC=C(S)C=C1 6825 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 24069 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.1 FC1=CC=C(CS)C=C1 6855 [1,0,0,0,0,0|1,1,1]=4 220 B9R1.1 N#CC1=CC=C(Br)C=C1 3745 [1,0,0,0,0,0|2,0,1]=4 221 B9R1.1 N#CC1=CC=C(Cl)C=C1 20405 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.1 N#CC1=CC=C(F)C=C1 1585 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.1 N#CC1=CC=C(I)C=C1 3936 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.1 N#CC1=CC=C(N)C=C1 15683 [1,0,0,0,0,0|2,0,1]=4 225 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [1,0,0,0,0,0|1,0,0]=2 226 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.1 NC1=CC=C(CO)C=C1 7480 [1,0,0,0,0,0|1,0,2]=4 228 B9R1.1 NC1=NC=C(C=O)C=N1 27597 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [1,0,0,0,0,0|2,0,1]=4 230 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.1 NCC1=CC=C(F)C=C1 3408 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.1 NCC1=CC=C(F)C=C1 4420 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.1 NCC1=CC=C(I)C=C1 3304 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.1 NCC1=CC=C(N)C=C1 5803 [1,0,0,0,0,0|2,0,1]=4 236 B9R1.1 NCC1=CC=C(O)C=C1 26036 [1,0,0,0,0,0|2,0,1]=4 237 B9R1.1 NNC1=CC=C(Br)C=C1 21916 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.1 NNC1=CC=C(Br)C=C1 6409 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.1 NNC1=CC=C(Cl)C=C1 23899 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.1 NNC1=CC=C(Cl)C=C1 4483 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.1 NNC1=CC=C(F)C=C1 15913 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.1 NNC1=CC=C(F)C=C1 3330 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.1 NNC1=CC=C(I)C=C1 15797 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [1,0,0,0,0,0|1,0,0]=2 245 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [1,0,0,0,0,0|1,0,0]=2 246 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [1,0,0,0,0,0|1,0,0]=2 248 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [1,0,0,0,0,0|1,0,0]=2 249 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [1,0,0,0,0,0|1,0,0]=2 250 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.1 O=CC1=CN=C(Cl)N=C1 23896 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [1,0,0,0,0,0|2,0,0]=3 256 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [1,0,0,0,0,0|2,0,0]=3 257 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [1,0,0,0,0,0|2,0,0]=3 258 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [1,0,0,0,0,0|2,0,0]=3 259 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [1,0,0,0,0,0|1,0,2]=4 260 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [1,0,0,0,0,0|1,0,2]=4 261 B9R1.1 OCC1=CC=C(F)C=C1 3487 [1,0,0,0,0,0|1,0,2]=4 262 B9R1.1 OCC1=CC=C(I)C=C1 4081 [1,0,0,0,0,0|1,0,2]=4 263 B9R1.1 OCC1=CC=C(O)C=C1 29320 [1,0,0,0,0,0|1,0,2]=4 264 B9R1.1 OCC1=CC=C(S)C=C1 6879 [1,0,0,0,0,0|1,0,2]=4 265 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [1,0,0,0,0,0|1,1,1]=4 266 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [1,0,0,0,0,0|1,1,1]=4 267 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [1,0,0,0,0,0|1,0,0]=2 268 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [1,0,0,0,0,0|2,0,0]=3 269 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [1,0,0,0,0,0|1,0,0]=2 270 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [1,0,0,0,0,0|2,0,0]=3 271 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [1,0,0,0,0,0|1,0,0]=2 272 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [1,0,0,0,0,0|2,0,0]=3 274 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [1,0,0,0,0,0|2,0,0]=3 275 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,0,0,0,0|1,0,1]=3 276 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,0,0,0,0|1,0,1]=3 277 B9R1.6 CN(C)C1=CC=NC=C1 2377 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.6 CN(C)C1=NC=CC=C1 14996 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,0,0,0,0|1,0,1]=3 281 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,0,0,0,0|1,0,1]=3 282 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,0,0,0,0|1,0,1]=3 283 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,0,0,0,0,0|1,0,2]=4 284 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,0,0,0,0,0|1,0,2]=4 285 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,0,0,0,0|0,0,2]=3 286 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,0,0,0,0|1,0,1]=3 287 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,0,0,0,0|1,0,1]=3 288 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,0,0,0,0,0|1,0,2]=4 289 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,0,0,0,0|0,0,2]=3 290 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [1,0,0,0,0,0|2,0,1]=4 292 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [1,0,0,0,0,0|2,0,0]=3 297 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,0,0,0,0|1,1,0]=3 298 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,0,0,0,0|1,1,0]=3 299 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [1,0,0,0,0,0|1,0,0]=2 300 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [1,0,0,0,0,0|2,0,0]=3 301 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [1,0,0,0,0,0|2,0,0]=3 302 B9R1.6 O=C(Cl)C1=CN=CN=C1 25063 [1,0,0,0,0,0|3,0,0]=4 303 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [1,0,0,0,0,0|2,0,0]=3 304 B9R1.6 O=C(Cl)C1=NC=NC=C1 15402 [1,0,0,0,0,0|3,0,0]=4 305 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [1,0,0,0,0,0|2,0,0]=3 307 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [1,0,0,0,0,0|2,0,0]=3 308 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [1,0,0,0,0,0|3,0,0]=4 310 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [1,0,0,0,0,0|2,0,0]=3 311 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [1,0,0,0,0,0|3,0,0]=4 313 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [1,0,0,0,0,0|2,0,0]=3 315 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [1,0,0,0,0,0|3,0,0]=4 316 B9R1.6 OB(O)C1=CC=CC=C1 1753 [1,0,0,0,0,0|2,0,1]=4 317 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [1,0,0,0,0,0|1,0,1]=3 318 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 30393 [0,1,0,0,0,0|1,0,1]=3 319 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 12624 [0,1,0,0,0,0|1,0,1]=3 321 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [0,1,0,0,0,0|0,0,1]=2 322 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [0,1,0,0,0,0|0,0,1]=2 323 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [0,1,0,0,0,0|0,0,0]=1 324 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [0,1,0,0,0,0|0,0,0]=1 325 B11R1.3 CC(C)C1=CC=C(NN)C=C1 7533 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.3 CCC1=CC=C(B(O)O)C=C1 7884 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 9725 [0,1,0,0,0,0|1,0,0]=2 328 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [0,1,0,0,0,0|0,0,0]=1 329 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 27848 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.3 CCC1=NC=C([N+](=O)[O-])C=C1 25854 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 8085 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.3 CN(C)C1=CC=C(CO)C=C1 36061 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.3 CN(C)C1=NC=C(CN)C=C1 34770 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 21650 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.3 COC1=CC=C(B(O)O)C=C1 15445 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.3 COC1=CC=C(B(O)O)C=C1 1867 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 9808 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [0,1,0,0,0,0|0,0,0]=1 341 B11R1.3 COC1=CC=C(C(N)=S)C=C1 13558 [0,1,0,0,0,0|1,1,0]=3 342 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.3 COC1=CN=C(C(=O)O)C=C1 15176 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.3 COC1=CN=C(C(=O)O)C=N1 32117 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.3 COC1=NC=C(C(=O)O)C=C1 15177 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.3 COC1=NC=C(C(C)=O)C=C1 16770 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 1207 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [0,1,0,0,0,0|1,0,1]=3 349 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [0,1,0,0,0,0|1,0,1]=3 350 B11R1.3 CSC1=CC=C(B(O)O)C=C1 9544 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [0,1,0,0,0,0|0,0,0]=1 352 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 10631 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.3 ClCC1=CC=C(C(Cl)Cl)C=C1 31325 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 19745 [0,1,0,0,0,0|1,0,1]=3 355 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 9008 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 16740 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 16844 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 34552 [0,1,0,0,0,0|1,0,0]=2 359 B11R1.3 NCC1=CC=C(B(O)O)C=C1 5251 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.3 NCC1=CC=C(B(O)O)C=C1 7897 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 5815 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 12455 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7535 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7572 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 7528 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 7538 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 6700 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 14778 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 28146 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 15446 [0,1,0,0,0,0|1,0,0]=2 371 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 12790 [0,1,0,0,0,0|1,0,0]=2 372 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 8075 [0,1,0,0,0,0|1,0,1]=3 373 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 8163 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 7473 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 7476 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 7472 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 7903 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.3 OB(O)C1=CC=C(CCl)C=C1 8937 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.3 OCC1=CC=C(B(O)O)C=C1 1726 [0,1,0,0,0,0|2,0,1]=4 380 B11R1.3 [C-]#[N+]C1=CC=C([C@@H](C)O)C=C1 14238 [0,1,0,0,0,0|0,0,3]=4 381 B11R1.3 [C-]#[N+]C1=CC=C([C@H](C)O)C=C1 14243 [0,1,0,0,0,0|0,0,3]=4 382 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 12522 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 3974 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 21472 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 6846 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 16914 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 26273 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.19 CC(F)(F)C1=CC=C(Cl)C=C1 44754 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 36092 [0,1,0,0,0,0|1,0,1]=3 390 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 1659 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 10215 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11532 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11533 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 12609 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16860 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16861 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 17362 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 19403 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22148 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22657 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 26313 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 14054 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 15907 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 25606 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 18694 [0,1,0,0,0,0|1,0,0]=2 406 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 35241 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.19 CC1=CC=C([B-](F)(F)F)C=C1 11452 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.19 CC1=CN=C(S(=O)(=O)Cl)C=C1 34603 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.19 CC1=CN=C(S(C)(=O)=O)C=C1 6580 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.19 CC1=CN=C(S(N)(=O)=O)C=C1 23672 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 10858 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 10874 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 10873 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 10832 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.19 CS(=O)(=O)C1=CN=C(Br)C=C1 18617 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.19 C[Si](C)(C)c1ccc(F)cc1 28497 [0,1,0,0,0,0|2,1,0]=4 417 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 20323 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.19 NS(=O)(=O)C1=CC=C(Br)C=C1 35861 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.19 NS(=O)(=O)C1=CC=C(F)C=C1 2167 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.19 NS(=O)(=O)C1=CC=C(O)C=C1 12595 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.19 O=S(=O)(Cl)C1=CC=C(Br)C=C1 6975 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.19 O=S(=O)(Cl)C1=CC=C(Cl)C=C1 6980 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.19 O=S(=O)(Cl)C1=CC=C(F)C=C1 5160 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.19 O=S(=O)(Cl)C1=CC=C(I)C=C1 6977 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.19 O=S(=O)([O-])C1=CC=C(Br)C=C1 13793 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.19 O=S(=O)([O-])C1=CC=C(Cl)C=C1 13791 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.19 O=S(=O)([O-])C1=CC=C(I)C=C1 13795 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [0,1,0,0,0,0|0,0,0]=1 429 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [0,1,0,0,0,0|1,0,0]=2 430 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 4100 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 29246 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 29265 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 19762 [0,1,0,0,0,0|1,0,0]=2 435 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 15346 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [0,1,0,0,0,0|1,0,0]=2 437 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [0,1,0,0,0,0|1,0,0]=2 438 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [0,1,0,0,0,0|1,0,0]=2 439 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [0,1,0,0,0,0|1,0,0]=2 440 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [0,1,0,0,0,0|1,0,0]=2 441 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 25810 [0,1,0,0,0,0|1,0,0]=2 442 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [0,1,0,0,0,0|0,0,0]=1 443 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [0,1,0,0,0,0|1,0,0]=2 444 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 3089 [0,1,0,0,0,0|1,0,0]=2 445 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 24416 [0,1,0,0,0,0|1,0,0]=2 446 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 3492 [0,1,0,0,0,0|1,0,0]=2 447 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 7322 [0,1,0,0,0,0|1,0,0]=2 448 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [0,1,0,0,0,0|0,0,0]=1 449 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 3384 [0,1,0,0,0,0|1,0,0]=2 450 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 28245 [0,1,0,0,0,0|1,0,0]=2 451 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [0,1,0,0,0,0|0,0,0]=1 452 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 17446 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 34596 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 26367 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [0,1,0,0,0,0|1,0,0]=2 457 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 3822 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 3804 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.21 CC1=C(Br)C=CC(N(C)C)=C1 5345 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.21 CC1=C(Br)C=CC([N+](=O)[O-])=C1 12553 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.21 CC1=C(C)C=C(B(O)O)C=C1 1832 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [0,1,0,0,0,0|1,0,0]=2 464 B11R1.21 CC1=C(Cl)C=C(B(O)O)C=C1 5132 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [0,1,0,0,0,0|1,0,0]=2 466 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 15208 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 28594 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 30641 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 2137 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.21 CC1=C(F)C=C(B(O)O)C=C1 5124 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [0,1,0,0,0,0|1,0,0]=2 473 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 1592 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 25412 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=C1 1593 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 28676 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 3957 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 27627 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.21 CC1=C(N)C=C(B(O)O)C=C1 1745 [0,1,0,0,0,0|2,0,1]=4 483 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [0,1,0,0,0,0|1,0,0]=2 484 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 25919 [0,1,0,0,0,0|1,0,1]=3 485 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 28331 [0,1,0,0,0,0|1,0,1]=3 486 B11R1.21 CC1=C(N)C=C(C(N)=O)C=C1 35463 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.21 CC1=C(N)C=C([N+](=O)[O-])C=C1 14022 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 4512 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 33878 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [0,1,0,0,0,0|1,0,0]=2 492 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 10329 [0,1,0,0,0,0|1,0,1]=3 493 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 1484 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 17549 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.21 CC1=CC(C(=O)O)=CN=C1F 5143 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1C 30332 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] 8885 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.21 CN(C)C1=CC(F)=C(F)C=C1 5241 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.21 CN(C)C1=CC(F)=C(I)C=C1 28131 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 25391 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.21 NC(=O)C1=CC(Cl)=C(Cl)C=C1 3462 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 3459 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 35464 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 3130 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.21 NC1=C(Br)C=C([N+](=O)[O-])C=C1 4085 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.21 NC1=C(Br)C=CC([N+](=O)[O-])=C1 21903 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.21 NC1=C(Cl)C=C([N+](=O)[O-])C=C1 28292 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 8988 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.21 NC1=C(Cl)C=CC([N+](=O)[O-])=C1 21904 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 3524 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.21 NC1=C(F)C=C([N+](=O)[O-])C=C1 8503 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.21 NC1=C(F)C=CC([N+](=O)[O-])=C1 8504 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 14046 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.21 NC1=C(I)C=C([N+](=O)[O-])C=C1 10438 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 29055 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 14418 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.21 NC1=C(O)C=C([N+](=O)[O-])C=C1 8201 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 20504 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 14489 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1N 21027 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1N 23314 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.21 Nc1ccc(C(=O)O)cc1Cl 4652 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.21 O=C(Cl)C1=CC(Br)=C(F)C=C1 25457 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 26090 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 28589 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 14796 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 28612 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3585 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1320 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 25903 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 9825 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 24806 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 3686 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 1334 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 13038 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 1316 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 1333 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 1337 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 29708 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 1388 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 2271 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 28092 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 12500 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 1390 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 28093 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 32382 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 17671 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 14051 [0,1,0,0,0,0|2,0,0]=3 551 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 3494 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 28669 [0,1,0,0,0,0|2,0,0]=3 553 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 18329 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 9738 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 29226 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=N1 29224 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 29225 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 29097 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 17514 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 24637 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 12922 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 12968 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 29238 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24638 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 21829 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.21 O=C(O)C1=CN=C(F)C(Cl)=C1 36069 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 18429 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 10618 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(Cl)C=C1 4273 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(F)C=C1 8499 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 18622 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(Br)C=C1 22601 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(Cl)C=C1 2562 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(F)C=C1 8539 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1 18908 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.21 O=[N+]([O-])C1=CC(F)=C(Br)C=C1 1045 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.21 O=[N+]([O-])C1=CC(F)=C(Cl)C=C1 1050 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.21 O=[N+]([O-])C1=CC(F)=C(F)C=C1 2290 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.21 O=[N+]([O-])C1=CC(F)=C(I)C=C1 1054 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 4122 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.21 O=[N+]([O-])C1=CC(I)=C(Cl)C=C1 15671 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 31132 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 1475 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 4123 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 22910 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,1,0,0,0,0|0,0,1]=2 587 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,1,0,0,0,0|0,0,0]=1 588 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,1,0,0,0,0|0,0,0]=1 589 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,1,0,0,0,0|0,0,0]=1 590 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,1,0,0,0,0|0,0,2]=3 591 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,1,0,0,0,0|0,0,0]=1 593 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [0,1,0,0,0,0|1,0,0]=2 596 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,1,0,0,0,0|1,0,2]=4 597 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,1,0,0,0,0|1,0,2]=4 598 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,1,0,0,0,0|1,0,2]=4 599 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 3962 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [0,1,0,0,0,0|0,0,0]=1 601 B11R1.22 COC(=O)C1=CC=C(C)N=N1 18664 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 3708 [0,1,0,0,0,0|1,0,0]=2 603 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 36193 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.22 COC(=O)C1=CC=C(F)C=C1 3566 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.22 COC(=O)C1=CC=C(I)C=C1 20378 [0,1,0,0,0,0|1,0,0]=2 606 B11R1.22 COC(=O)C1=CC=C(N)C=C1 28506 [0,1,0,0,0,0|1,0,0]=2 607 B11R1.22 COC(=O)C1=CC=C(O)C=C1 27407 [0,1,0,0,0,0|1,0,0]=2 608 B11R1.22 COC(=O)C1=CC=C(O)C=C1 35335 [0,1,0,0,0,0|1,0,0]=2 609 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 14326 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 27820 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.22 COC(=O)C1=CN=C(C)C=C1 13718 [0,1,0,0,0,0|1,0,0]=2 612 B11R1.22 COC(=O)C1=CN=C(C)N=C1 21597 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 13584 [0,1,0,0,0,0|2,0,0]=3 614 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 9777 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.22 COC(=O)C1=CN=C(F)C=C1 10629 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.22 COC(=O)C1=CN=C(N)C=C1 2418 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.22 COC(=O)C1=CN=C(N)N=C1 27978 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.22 COC(=O)C1=CNC(=O)N=C1 34673 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 10589 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 21032 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 21394 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.22 COC(=O)C1=NC=C(N)N=C1 32171 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.22 COC(=O)C1=NC=C(O)N=C1 9107 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.22 COC(=O)C1=NNC(=O)C=C1 19275 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 29245 [0,1,0,0,0,0|1,0,0]=2 626 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [0,1,0,0,0,0|1,0,0]=2 627 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [0,1,0,0,0,0|1,0,0]=2 628 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [0,1,0,0,0,0|1,0,0]=2 629 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,1,0,0,0,0|1,0,2]=4 630 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,1,0,0,0,0|1,0,2]=4 631 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 3743 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 3622 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 3483 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 3885 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.22 NNC(=O)C1=CN=C(Cl)C=C1 18551 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 28432 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 16821 [0,1,0,0,0,0|1,0,0]=2 638 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 3260 [0,1,0,0,0,0|1,0,0]=2 639 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 13415 [0,1,0,0,0,0|1,0,0]=2 640 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 22524 [0,1,0,0,0,0|1,0,0]=2 641 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 3320 [0,1,0,0,0,0|1,0,0]=2 642 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 7424 [0,1,0,0,0,0|1,0,0]=2 643 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 3372 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 3269 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 29269 [0,1,0,0,0,0|1,0,0]=2 646 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [0,1,0,0,0,0|1,0,1]=3 647 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [0,1,0,0,0,0|1,0,1]=3 648 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [0,1,0,0,0,0|1,0,1]=3 649 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [0,1,0,0,0,0|1,0,1]=3 650 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,1,0,0,0,0|1,0,1]=3 651 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,1,0,0,0,0|1,0,2]=4 652 B11R1.166 CC(=O)C1=C(Br)C=C(Br)C=C1 29275 [0,1,0,0,0,0|1,0,0]=2 653 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 29258 [0,1,0,0,0,0|1,0,0]=2 654 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 8533 [0,1,0,0,0,0|1,0,0]=2 655 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 28228 [0,1,0,0,0,0|1,0,0]=2 656 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 29261 [0,1,0,0,0,0|1,0,0]=2 657 B11R1.166 CC(=O)C1=C(C)C=C(Br)C=C1 31226 [0,1,0,0,0,0|1,0,0]=2 658 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 3376 [0,1,0,0,0,0|0,0,0]=1 659 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29273 [0,1,0,0,0,0|1,0,0]=2 660 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 24792 [0,1,0,0,0,0|1,0,0]=2 661 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 3265 [0,1,0,0,0,0|1,0,0]=2 662 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 13619 [0,1,0,0,0,0|1,0,0]=2 663 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 4187 [0,1,0,0,0,0|1,0,0]=2 664 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 28238 [0,1,0,0,0,0|1,0,0]=2 665 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 29270 [0,1,0,0,0,0|1,0,0]=2 666 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 24789 [0,1,0,0,0,0|1,0,0]=2 667 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 4207 [0,1,0,0,0,0|1,0,0]=2 668 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 4213 [0,1,0,0,0,0|1,0,0]=2 669 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 24419 [0,1,0,0,0,0|1,0,0]=2 670 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 36301 [0,1,0,0,0,0|1,0,0]=2 671 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 27374 [0,1,0,0,0,0|1,0,0]=2 672 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 19929 [0,1,0,0,0,0|1,0,0]=2 673 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 16935 [0,1,0,0,0,0|0,0,0]=1 674 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 29061 [0,1,0,0,0,0|1,0,0]=2 675 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 13252 [0,1,0,0,0,0|1,0,0]=2 676 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 28229 [0,1,0,0,0,0|1,0,0]=2 677 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 3375 [0,1,0,0,0,0|1,0,0]=2 678 B11R1.166 CC(=O)C1=CC=C(F)N=C1F 18362 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.166 CC(=O)C1=CN=C(N)N=C1C 13333 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.166 CC(=O)C1=CNC(=O)NC1=O 23555 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.166 CC(=O)C1=NC=C(F)C=C1F 24328 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 35906 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 4029 [0,1,0,0,0,0|2,0,0]=3 684 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 4570 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 33689 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 1327 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 10626 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 10924 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=C1 35774 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 5343 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Br)=C1 31561 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.166 CC1=C([N+](=O)[O-])C=CC(F)=C1 1598 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=C1 12456 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 4719 [0,1,0,0,0,0|1,0,0]=2 695 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 5342 [0,1,0,0,0,0|2,0,0]=3 696 B11R1.166 CC1=CC(Br)=C([N+](=O)[O-])C=C1 31562 [0,1,0,0,0,0|2,0,0]=3 697 B11R1.166 CC1=CC(C)=C(B(O)O)C=C1 9565 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 15441 [0,1,0,0,0,0|1,0,0]=2 699 B11R1.166 CC1=CC(C)=C(C(F)F)C=C1 28468 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.166 CC1=CC(Cl)=C(B(O)O)C=C1 1778 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 4567 [0,1,0,0,0,0|1,0,0]=2 702 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 4534 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 23775 [0,1,0,0,0,0|2,0,1]=4 704 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 1395 [0,1,0,0,0,0|1,0,0]=2 705 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 1595 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 30572 [0,1,0,0,0,0|1,0,0]=2 707 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 4952 [0,1,0,0,0,0|1,0,0]=2 708 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 4030 [0,1,0,0,0,0|1,0,0]=2 709 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 25695 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 5702 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 32852 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.166 CC1=CC(O)=C([N+](=O)[O-])C=C1 25410 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.166 CC1=CC(O)=CC=C1[N+](=O)[O-] 21648 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 18270 [0,1,0,0,0,0|1,0,0]=2 715 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 26524 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Br)=N1 5954 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.166 CC1=CC=C([N+](=O)[O-])C(C)=N1 14242 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Cl)=N1 6175 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.166 CC1=CC=C([N+](=O)[O-])C(F)=N1 6309 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.166 CC1=CC=C([N+](=O)[O-])C(N)=N1 1275 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.166 CC1=CC=C([N+](=O)[O-])C(O)=N1 1112 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 11019 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 34358 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.166 CN(C)C1=C(Br)C=C(F)C=C1 5227 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.166 CN(C)C1=C(Cl)C=C(Br)C=C1 5366 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.166 CN(C)C1=C(Cl)C=C(F)C=C1 5235 [0,1,0,0,0,0|3,0,0]=4 727 B11R1.166 CN(C)C1=C(F)C=C(Br)C=C1 5229 [0,1,0,0,0,0|3,0,0]=4 728 B11R1.166 CN(C)C1=C(F)C=C(Cl)C=C1 5236 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.166 CN(C)C1=C(F)C=C(F)C=C1 5240 [0,1,0,0,0,0|3,0,0]=4 730 B11R1.166 C[C@H](O)C1=C(Cl)C=C(F)C=C1 15575 [0,1,0,0,0,0|1,0,2]=4 731 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 28771 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 31609 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.166 NC(=O)C1=C(F)C=C(F)C=C1 3458 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 25784 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.166 NC(=S)C1=C(Cl)C=C(Cl)C=C1 20132 [0,1,0,0,0,0|2,1,0]=4 736 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 13462 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 26435 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 11211 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 1323 [0,1,0,0,0,0|2,0,0]=3 740 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 22552 [0,1,0,0,0,0|2,0,0]=3 741 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Br)=C1 22358 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Cl)=C1 4369 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.166 NC1=C([N+](=O)[O-])C=CC(F)=C1 4476 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.166 NC1=CC(Br)=C([N+](=O)[O-])C=C1 4359 [0,1,0,0,0,0|3,0,0]=4 745 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 3109 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.166 NC1=CC(Cl)=C([N+](=O)[O-])C=C1 9594 [0,1,0,0,0,0|3,0,0]=4 747 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 4693 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.166 NC1=CC(F)=C([N+](=O)[O-])C=C1 4474 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 23542 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 25458 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.166 O=C(Cl)C1=C(F)C=C(F)C=C1 35111 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 3856 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 4028 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 1314 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 3586 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 21313 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 18521 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 1370 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.166 O=C(O)C1=C(Cl)C=C(I)C=C1 10153 [0,1,0,0,0,0|2,0,0]=3 760 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 4561 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 1225 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 1313 [0,1,0,0,0,0|2,0,0]=3 763 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 1374 [0,1,0,0,0,0|2,0,0]=3 764 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 1336 [0,1,0,0,0,0|2,0,0]=3 765 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 1384 [0,1,0,0,0,0|2,0,0]=3 766 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 2608 [0,1,0,0,0,0|2,0,0]=3 767 B11R1.166 O=C(O)C1=C(I)C=C(Br)C=C1 13466 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 4018 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 1389 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 27646 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 4010 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 3845 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 3493 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.166 O=C(O)C1=C(O)C=C(I)C=C1 3888 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br 14391 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.166 O=C(O)C1=CC=C(F)N=C1F 14392 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br 17568 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl 17527 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 23193 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl 4005 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F 17534 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.166 O=C([O-])C1=C(F)C=C(F)C=C1 29707 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(F)C=C1 4277 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(O)C=C1 33263 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1 15890 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(O)C=C1 28366 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Br)C=C1 2226 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Cl)C=C1 1051 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.166 O=[N+]([O-])C1=C(F)C=C(F)C=C1 2288 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.166 O=[N+]([O-])C1=C(F)C=C(I)C=C1 27694 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.166 O=[N+]([O-])C1=C(F)C=C(O)C=C1 2101 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.166 O=[N+]([O-])C1=C(I)C=C(Br)C=C1 27306 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.166 O=[N+]([O-])C1=C(I)C=C(F)C=C1 20409 [0,1,0,0,0,0|3,0,0]=4 794 B11R1.166 O=[N+]([O-])C1=C(I)C=C(I)C=C1 19890 [0,1,0,0,0,0|3,0,0]=4 795 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Br)C=C1 16073 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.166 O=[N+]([O-])C1=C(O)C=C(F)C=C1 2371 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 27732 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.166 O=[N+]([O-])c1ccc(F)cc1Cl 4342 [0,1,0,0,0,0|3,0,0]=4 799 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 5705 [0,0,0,1,0,0|1,0,2]=4 800 B11R2.34 BrC1=CC=C([C@H]2CO2)C=C1 5704 [0,0,0,1,0,0|1,0,2]=4 801 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 18166 [0,0,0,1,0,0|1,0,2]=4 802 B11R2.34 FC1=CC=C([C@H]2CO2)C=C1 18172 [0,0,0,1,0,0|1,0,2]=4 803 B11R2.34 NC1=CC=C(C2CC2)C=C1 19700 [0,0,0,1,0,0|2,0,1]=4 804 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [0,0,0,1,0,0|2,0,1]=4 805 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [0,0,0,0,1,0|1,0,0]=2 806 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [0,0,0,0,1,0|2,0,0]=3 807 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [0,0,0,0,1,0|2,0,0]=3 808 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [0,0,0,0,1,0|2,0,0]=3 809 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [0,0,0,0,1,0|1,0,0]=2 810 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [0,0,0,0,1,0|1,0,0]=2 811 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [0,0,0,0,1,0|2,0,0]=3 812 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [0,0,0,0,1,0|2,0,0]=3 813 B9R1.35 CC1=CC(C(=O)O)=NO1 15552 [0,0,0,0,1,0|3,0,0]=4 814 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [0,0,0,0,1,0|2,0,0]=3 815 B9R1.35 CC1=CN=C(C(=O)O)S1 23003 [0,0,0,0,1,0|3,0,0]=4 816 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [0,0,0,0,1,0|2,0,0]=3 817 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [0,0,0,0,1,0|2,0,0]=3 818 B9R1.35 CC1=NC=C(C(=O)O)S1 22287 [0,0,0,0,1,0|3,0,0]=4 819 B9R1.35 CC1=NNC(C(=O)O)=C1 7842 [0,0,0,0,1,0|3,0,0]=4 820 B9R1.35 CN1C=C(C(=O)O)C=N1 20860 [0,0,0,0,1,0|3,0,0]=4 821 B9R1.35 CN1C=CC(C(=O)O)=C1 25790 [0,0,0,0,1,0|2,0,0]=3 822 B9R1.35 CN1C=CC(C(N)=O)=N1 24146 [0,0,0,0,1,0|3,0,0]=4 823 B9R1.35 CN1C=NC(C(=O)O)=C1 9001 [0,0,0,0,1,0|3,0,0]=4 824 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [0,0,0,0,1,0|3,0,0]=4 825 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [0,0,0,0,1,0|3,0,0]=4 826 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [0,0,0,0,1,0|3,0,0]=4 827 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [0,0,0,0,1,0|3,0,0]=4 828 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [0,0,0,0,1,0|3,0,0]=4 829 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [0,0,0,0,1,0|3,0,0]=4 830 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [0,0,0,0,1,0|3,0,0]=4 831 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,0,0,0,0,1|1,0,0]=2 832 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,0,0,0,0,1|1,0,0]=2 833 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,0,0,0,0,1|1,0,0]=2 834 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,0,0,0,0,1|1,0,0]=2 835 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,0,0,0,0,1|0,0,0]=1 836 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,0,0,0,0,1|1,0,0]=2 837 B11R1.20 CC(=O)NC1=CC=C(Cl)N=N1 34198 [0,0,0,0,0,1|3,0,0]=4 838 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,0,0,0,0,1|1,0,0]=2 839 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,0,0,0,0,1|1,0,0]=2 840 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,0,0,0,0,1|1,0,0]=2 841 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [0,0,0,0,0,1|2,0,0]=3 842 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [0,0,0,0,0,1|2,0,0]=3 843 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 34344 [0,0,0,0,0,1|3,0,0]=4 844 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [0,0,0,0,0,1|2,0,0]=3 845 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [0,0,0,0,0,1|2,0,0]=3 846 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,0,0,0,0,1|1,0,0]=2 847 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,0,0,0,0,1|2,0,1]=4 848 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [0,0,0,0,0,1|2,0,1]=4 849 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [0,0,0,0,0,1|2,0,1]=4 850 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,0,0,0,0,1|2,0,1]=4 851 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,0,0,0,0,1|2,0,1]=4 852 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,0,0,0,0,1|1,0,1]=3 853 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 33252 [0,0,0,0,0,1|3,0,0]=4 854 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,0,0,0,0,1|2,0,0]=3 855 B11R1.20 NC(=S)NC1=CC=C(Br)C=C1 14266 [0,0,0,0,0,1|2,1,0]=4 856 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 10059 [0,0,0,0,0,1|2,1,0]=4 857 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [0,0,0,0,0,1|3,0,0]=4 858 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,0,0,0,0,1|3,0,0]=4 859 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,0,0,0,0,1|2,0,0]=3 860 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [0,0,0,0,0,1|2,0,0]=3 861 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [0,0,0,0,0,1|2,0,0]=3 862 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,0,0,0,0,1|2,0,0]=3 863 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,0,0,0,0,1|2,0,0]=3 864 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [0,0,0,0,0,1|3,0,0]=4 865 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,0,0,0,0,1|2,0,0]=3 866 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,0,0,0,0,1|2,0,0]=3 867 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,0,0,0,0,1|2,0,0]=3 868 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,0,0,0,0,1|2,0,0]=3 869 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,0,0,0,0,1|2,0,0]=3 870 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [0,0,0,0,0,1|2,0,0]=3 871 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [0,0,0,0,0,1|2,0,0]=3 872 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,1]=4 873 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 874 B8R1.2 C=CC1=NC=CC=C1 23910 [2,0,0,0,0,0|1,0,1]=4 875 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 876 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 877 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|1,0,0]=3 878 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|1,0,0]=3 879 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|2,0,0]=4 880 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|2,0,0]=4 881 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|2,0,0]=4 882 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|1,0,0]=3 883 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|2,0,0]=4 884 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|1,0,1]=4 885 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|1,0,1]=4 886 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 887 B8R1.2 O=CC1=CC=CN=C1 1124 [2,0,0,0,0,0|1,0,0]=3 888 B8R1.2 O=CC1=CC=CN=N1 23311 [2,0,0,0,0,0|2,0,0]=4 889 B8R1.2 O=CC1=CC=NC=C1 11745 [2,0,0,0,0,0|1,0,0]=3 890 B8R1.2 O=CC1=CN=CN=C1 5298 [2,0,0,0,0,0|2,0,0]=4 891 B8R1.2 O=CC1=NC=CC=C1 11741 [2,0,0,0,0,0|1,0,0]=3 892 B8R1.2 O=CC1=NC=CC=N1 23190 [2,0,0,0,0,0|2,0,0]=4 893 B8R1.2 O=CC1=NC=CN=C1 32140 [2,0,0,0,0,0|2,0,0]=4 894 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|0,1,1]=4 895 B8R1.3 BrC1=CC=C(Br)C=C1 10875 [2,0,0,0,0,0|2,0,0]=4 896 B8R1.3 BrC1=CC=C(I)C=C1 27467 [2,0,0,0,0,0|2,0,0]=4 897 B8R1.3 BrC1=CC=C(I)C=C1 3786 [2,0,0,0,0,0|2,0,0]=4 898 B8R1.3 CC1=CC=C(Br)C=C1 21011 [2,0,0,0,0,0|1,0,0]=3 899 B8R1.3 CC1=CC=C(C)N=N1 20402 [2,0,0,0,0,0|2,0,0]=4 900 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [2,0,0,0,0,0|1,0,0]=3 901 B8R1.3 CC1=CC=C(F)C=C1 12887 [2,0,0,0,0,0|1,0,0]=3 902 B8R1.3 CC1=CC=C(I)C=C1 4548 [2,0,0,0,0,0|1,0,0]=3 903 B8R1.3 CC1=CC=C(O)C=C1 23326 [2,0,0,0,0,0|0,0,1]=3 904 B8R1.3 CC1=CC=C(S)C=C1 6809 [2,0,0,0,0,0|0,1,0]=3 905 B8R1.3 CC1=CN=C(Br)C=C1 1185 [2,0,0,0,0,0|2,0,0]=4 906 B8R1.3 CC1=CN=C(C)C=C1 20994 [2,0,0,0,0,0|1,0,0]=3 907 B8R1.3 CC1=CN=C(C)C=N1 8608 [2,0,0,0,0,0|2,0,0]=4 908 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [2,0,0,0,0,0|2,0,0]=4 909 B8R1.3 CC1=CN=C(F)C=C1 4059 [2,0,0,0,0,0|2,0,0]=4 910 B8R1.3 CC1=CN=C(N)C=C1 1159 [2,0,0,0,0,0|2,0,0]=4 911 B8R1.3 CC1=CN=C(O)C=C1 14321 [2,0,0,0,0,0|1,0,1]=4 912 B8R1.3 CC1=CN=C(O)C=C1 27251 [2,0,0,0,0,0|1,0,1]=4 913 B8R1.3 CC1=NC=C(Br)C=C1 4058 [2,0,0,0,0,0|2,0,0]=4 914 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [2,0,0,0,0,0|2,0,0]=4 915 B8R1.3 CC1=NC=C(F)C=C1 2224 [2,0,0,0,0,0|2,0,0]=4 916 B8R1.3 CC1=NC=C(I)C=C1 6698 [2,0,0,0,0,0|2,0,0]=4 917 B8R1.3 CC1=NC=C(N)C=C1 1280 [2,0,0,0,0,0|2,0,0]=4 918 B8R1.3 CC1=NC=C(O)C=C1 6696 [2,0,0,0,0,0|1,0,1]=4 919 B8R1.3 CC1=NNC(=O)C=C1 28171 [2,0,0,0,0,0|2,0,0]=4 920 B8R1.3 ClC1=CC=C(Br)C=C1 10226 [2,0,0,0,0,0|2,0,0]=4 921 B8R1.3 ClC1=CC=C(I)C=C1 3648 [2,0,0,0,0,0|2,0,0]=4 922 B8R1.3 FC1=CC=C(Br)C=C1 2251 [2,0,0,0,0,0|2,0,0]=4 923 B8R1.3 FC1=CC=C(Cl)C=C1 3420 [2,0,0,0,0,0|2,0,0]=4 924 B8R1.3 FC1=CC=C(F)C=C1 2309 [2,0,0,0,0,0|2,0,0]=4 925 B8R1.3 FC1=CC=C(I)C=C1 2103 [2,0,0,0,0,0|2,0,0]=4 926 B8R1.3 FC1=CC=C(S)C=C1 5431 [2,0,0,0,0,0|1,1,0]=4 927 B8R1.3 IC1=CC=C(I)C=C1 3837 [2,0,0,0,0,0|2,0,0]=4 928 B8R1.3 NC1=CC=C(Br)C=C1 3724 [2,0,0,0,0,0|2,0,0]=4 929 B8R1.3 NC1=CC=C(Cl)C=C1 16666 [2,0,0,0,0,0|2,0,0]=4 930 B8R1.3 NC1=CC=C(F)C=C1 10782 [2,0,0,0,0,0|2,0,0]=4 931 B8R1.3 NC1=CC=C(F)C=C1 5246 [2,0,0,0,0,0|2,0,0]=4 932 B8R1.3 NC1=CC=C(I)C=C1 10572 [2,0,0,0,0,0|2,0,0]=4 933 B8R1.3 NC1=CC=C(N)C=C1 22180 [2,0,0,0,0,0|2,0,0]=4 934 B8R1.3 NC1=CC=C(O)C=C1 22199 [2,0,0,0,0,0|1,0,1]=4 935 B8R1.3 NC1=CC=C(S)C=C1 2471 [2,0,0,0,0,0|1,1,0]=4 936 B8R1.3 O=C1C=CC(=O)C=C1 14592 [2,0,0,0,0,0|1,0,0]=3 937 B8R1.3 OC1=CC=C(Br)C=C1 19708 [2,0,0,0,0,0|1,0,1]=4 938 B8R1.3 OC1=CC=C(Cl)C=C1 22009 [2,0,0,0,0,0|1,0,1]=4 939 B8R1.3 OC1=CC=C(F)C=C1 2314 [2,0,0,0,0,0|1,0,1]=4 940 B8R1.3 OC1=CC=C(I)C=C1 3199 [2,0,0,0,0,0|1,0,1]=4 941 B8R1.3 OC1=CC=C(O)C=C1 9139 [2,0,0,0,0,0|1,0,1]=4 942 B8R1.3 OC1=CC=C(S)C=C1 2464 [2,0,0,0,0,0|1,0,1]=4 943 B8R1.3 SC1=CC=C(Br)C=C1 4043 [2,0,0,0,0,0|1,1,0]=4 944 B8R1.3 SC1=CC=C(Cl)C=C1 6790 [2,0,0,0,0,0|1,1,0]=4 945 B8R1.3 SC1=CC=C(S)C=C1 6866 [2,0,0,0,0,0|1,1,0]=4 946 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|0,0,2]=4 948 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|0,0,1]=3 951 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|1,0,1]=4 954 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|1,0,1]=4 956 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|0,0,1]=3 957 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.1 C\N=C\C1=CC=C(Cl)N=C1 17586 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|1,0,1]=4 966 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|1,0,1]=4 971 B10R1.1 O=C=NC1=CC=C(Br)C=C1 23279 [1,1,0,0,0,0|1,0,1]=4 972 B10R1.1 O=C=NC1=CC=C(F)C=C1 4996 [1,1,0,0,0,0|1,0,1]=4 973 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,1]=4 975 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|1,0,1]=4 977 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.1 O\N=C\C1=CC=C(F)C=C1 24097 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.1 O\N=C\C1=CC=C(F)C=C1 3479 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.3 BrCC1=CC=C(CBr)C=C1 10202 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.3 C#CC1=CC=C(CC)C=C1 10925 [1,1,0,0,0,0|0,0,2]=4 982 B10R1.3 C=CC1=CC=C(CCl)C=C1 25812 [1,1,0,0,0,0|0,0,1]=3 983 B10R1.3 C=CC1=NC=C(CC)C=C1 19454 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [1,1,0,0,0,0|0,0,0]=2 985 B10R1.3 CCC1=CC=C(CCl)C=C1 4921 [1,1,0,0,0,0|0,0,1]=3 986 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [1,1,0,0,0,0|0,0,1]=3 987 B10R1.3 CCC1=NC=C(C=O)C=N1 21490 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.3 CCc1ccc(CCl)cc1 36258 [1,1,0,0,0,0|0,0,1]=3 989 B10R1.3 CNC1=CC=C(C#N)C=C1 4815 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [1,1,0,0,0,0|1,0,1]=4 992 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [1,1,0,0,0,0|0,0,0]=2 993 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [1,1,0,0,0,0|1,0,0]=3 996 B10R1.3 COC1=CC=C(CN)C=C1 4428 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.3 COC1=CC=C(CN)C=N1 33703 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.3 COC1=CC=C(CO)C=C1 19100 [1,1,0,0,0,0|1,0,0]=3 999 B10R1.3 COC1=CC=C(CS)C=C1 6839 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.3 COC1=CC=C(NN)C=C1 4498 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.3 COC1=CC=C(SC)C=C1 10655 [1,1,0,0,0,0|1,0,0]=3 1002 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [1,1,0,0,0,0|1,0,0]=3 1003 B10R1.3 COC1=CN=C(CO)C=C1 34570 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.3 CSC1=CC=C(C#N)C=C1 10528 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [1,1,0,0,0,0|0,0,0]=2 1007 B10R1.3 CSC1=CC=C(CCl)C=C1 10530 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.3 CSC1=CC=C(CN)C=C1 27539 [1,1,0,0,0,0|1,0,0]=3 1009 B10R1.3 CSC1=CC=C(CO)C=C1 7470 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.3 CSC1=NC=C(C=O)C=N1 21491 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.3 ClCC1=CC=C(CCl)C=C1 10211 [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.3 N#CC1=CC=C(C=O)C=C1 3118 [1,1,0,0,0,0|0,0,1]=3 1013 B10R1.3 N#CC1=CC=C(CBr)C=C1 7495 [1,1,0,0,0,0|1,0,1]=4 1014 B10R1.3 N#CC1=CC=C(CCl)C=C1 7377 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.3 N#CC1=CC=C(CN)C=C1 2057 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.3 N#CC1=CC=C(CN)C=C1 9986 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.3 N#CC1=CN=C(C=O)C=C1 33545 [1,1,0,0,0,0|1,0,1]=4 1018 B10R1.3 N#CC1=NC=C(C=O)C=C1 33552 [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.3 N#Cc1ccc(CO)cc1 31292 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.3 O=CC1=CC=C(C=O)C=C1 35665 [1,1,0,0,0,0|0,0,1]=3 1021 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [1,1,0,0,0,0|0,0,0]=2 1022 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [1,1,0,0,0,0|0,0,0]=2 1023 B10R1.3 OCC1=CC=C(CBr)C=C1 27440 [1,1,0,0,0,0|0,0,2]=4 1024 B10R1.3 SCc1ccc(CS)cc1 6840 [1,1,0,0,0,0|0,1,1]=4 1025 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 25414 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 34417 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 23457 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.25 CC1=C(C=O)C=CC(F)=C1 1456 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.25 CC1=C(C=O)C=CC(F)=N1 17087 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.25 CC1=C(C=O)C=CC(O)=C1 3910 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.25 CC1=CC(C)=C(C=O)C=C1 3070 [1,1,0,0,0,0|0,0,0]=2 1032 B10R1.25 CC1=CC(C)=C(CO)C=C1 35348 [1,1,0,0,0,0|0,0,2]=4 1033 B10R1.25 CC1=CC(C)=C(NN)C=C1 6399 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.25 CC1=CC(Cl)=C(C#N)C=C1 4732 [1,1,0,0,0,0|1,0,1]=4 1035 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 17007 [1,1,0,0,0,0|0,0,0]=2 1036 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 28906 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 35435 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 4481 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.25 CC1=CC(F)=C(C#N)C=C1 1555 [1,1,0,0,0,0|1,0,1]=4 1040 B10R1.25 CC1=CC(F)=C(C=O)C=C1 1451 [1,1,0,0,0,0|0,0,0]=2 1041 B10R1.25 CC1=CC(N)=C(C#N)C=C1 4661 [1,1,0,0,0,0|1,0,1]=4 1042 B10R1.25 CC1=CC(O)=C(C#N)C=C1 30774 [1,1,0,0,0,0|1,0,1]=4 1043 B10R1.25 CC1=CC=C(C=O)C(C)=N1 13948 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.25 CC1=CC=C(C=O)C(O)=C1 8154 [1,1,0,0,0,0|0,0,0]=2 1045 B10R1.25 CC1=NC(Cl)=CC=C1C=O 35550 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27787 [1,1,0,0,0,0|1,0,1]=4 1047 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 27794 [1,1,0,0,0,0|1,0,1]=4 1048 B10R1.25 CNC1=C(F)C=C(F)C=C1 10041 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.25 CNC1=CC=C(Br)C=C1N 34299 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.25 COC1=C(Br)C=C(Br)C=C1 3847 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.25 COC1=C(Br)C=C(C)C=C1 3797 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 2629 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.25 COC1=C(Br)C=C(F)C=C1 1972 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.25 COC1=C(Br)C=C(N)C=C1 16856 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.25 COC1=C(C)C=C(Br)C=C1 3798 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.25 COC1=C(C)C=C(C)C=C1 5359 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.25 COC1=C(C)C=C(Cl)C=C1 2665 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.25 COC1=C(C)C=C(F)C=C1 2622 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.25 COC1=C(C)C=C(N)C=C1 15790 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 2630 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.25 COC1=C(Cl)C=C(C)C=C1 27687 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.25 COC1=C(Cl)C=C(F)C=C1 2658 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.25 COC1=C(Cl)C=C(N)C=C1 17270 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.25 COC1=C(F)C=C(Br)C=C1 1971 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.25 COC1=C(F)C=C(C)C=C1 24850 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.25 COC1=C(F)C=C(Cl)C=C1 2662 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.25 COC1=C(F)C=C(F)C=C1 3455 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.25 COC1=C(F)C=C(N)C=C1 2125 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.25 COC1=C(F)C=C(S)C=C1 6875 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.25 COC1=C(I)C=C(Cl)C=C1 14310 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.25 COC1=C(I)C=C(N)C=C1 3307 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.25 COC1=C(I)C=C(N)C=C1 3310 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.25 COC1=C(N)C=C(F)C=C1 2256 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.25 COC1=C(N)C=C(I)C=C1 28345 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.25 COC1=C(N)C=C(N)C=C1 1905 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.25 COC1=C(N)C=C(N)C=C1 24784 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.25 COC1=C(N)C=C(N)C=C1 4107 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.25 COC1=C(O)C=C(Br)C=C1 26431 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.25 COC1=C(O)C=C(C)C=C1 31088 [1,1,0,0,0,0|1,0,0]=3 1084 B10R1.25 COC1=C(O)C=C(F)C=C1 3882 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.25 COC1=C(O)C=C(N)C=C1 3112 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.25 COC1=NC=C(C)C=C1I 26966 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.25 COc1ccc(Cl)cc1O 31127 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.25 CSC1=C(C)C=C(O)C=C1 10656 [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.25 CSC1=C(F)C=C(F)C=C1 10719 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.25 NC1=C(C=O)C=CC(F)=C1 27192 [1,1,0,0,0,0|1,0,0]=3 1091 B10R1.25 NC1=C(C=O)C=NC(Cl)=C1 22052 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.25 NC1=CC(I)=C(C=O)C=C1 16530 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.25 NC1=NC=C(C=O)C(Cl)=C1 23578 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 28404 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 16872 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 2877 [1,1,0,0,0,0|1,0,0]=3 1097 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 30961 [1,1,0,0,0,0|1,0,0]=3 1098 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 28099 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.25 O=CC1=C(Br)N=C(Br)C=C1 27605 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 24612 [1,1,0,0,0,0|1,0,0]=3 1101 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 1433 [1,1,0,0,0,0|1,0,0]=3 1102 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 7366 [1,1,0,0,0,0|1,0,0]=3 1103 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 1421 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 1435 [1,1,0,0,0,0|1,0,0]=3 1105 B10R1.25 O=CC1=C(F)C=C(F)C=C1 2903 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.25 O=CC1=C(F)C=C(I)C=C1 4219 [1,1,0,0,0,0|1,0,0]=3 1107 B10R1.25 O=CC1=C(F)C=C(O)C=C1 1442 [1,1,0,0,0,0|1,0,0]=3 1108 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 22996 [1,1,0,0,0,0|1,0,0]=3 1109 B10R1.25 O=CC1=C(I)C=C(F)C=C1 22995 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.25 O=CC1=C(I)C=C(O)C=C1 28098 [1,1,0,0,0,0|1,0,0]=3 1111 B10R1.25 O=CC1=C(O)C=C(Br)C=C1 16944 [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 22142 [1,1,0,0,0,0|1,0,0]=3 1113 B10R1.25 O=CC1=C(O)C=C(F)C=C1 8483 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.25 O=CC1=C(O)C=C(O)C=C1 8218 [1,1,0,0,0,0|1,0,0]=3 1115 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl 5103 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.25 O=CC1=CC=C(F)N=C1F 18894 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.25 O=CC1=CN=C(Br)C=C1O 24436 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.25 O=CC1=NC=C(Br)C=C1F 36116 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.176 CC1=C(Br)C=C(C#N)C=C1 11163 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 24757 [1,1,0,0,0,0|0,0,0]=2 1122 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 30935 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.176 CC1=C(C)C=C(C#N)C=C1 14892 [1,1,0,0,0,0|1,0,1]=4 1124 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [1,1,0,0,0,0|0,0,0]=2 1125 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [1,1,0,0,0,0|1,0,1]=4 1127 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [1,1,0,0,0,0|0,0,2]=4 1128 B10R1.176 CC1=C(C)C=C(NN)C=C1 19865 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.176 CC1=C(C)C=C(NN)C=C1 21448 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.176 CC1=C(C)C=C(NN)C=C1 7555 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.176 CC1=C(Cl)C=C(C#N)C=C1 4733 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 4183 [1,1,0,0,0,0|0,0,0]=2 1133 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 27458 [1,1,0,0,0,0|1,0,1]=4 1134 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 28400 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.176 CC1=C(F)C=C(C#N)C=C1 1557 [1,1,0,0,0,0|1,0,1]=4 1136 B10R1.176 CC1=C(F)C=C(C=O)C=C1 1454 [1,1,0,0,0,0|0,0,0]=2 1137 B10R1.176 CC1=C(F)C=C(CN)C=C1 16749 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.176 CC1=C(F)C=C(NN)C=C1 3343 [1,1,0,0,0,0|2,0,0]=4 1139 B10R1.176 CC1=C(F)C=C(NN)C=C1 4493 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.176 CC1=C(F)C=CC(C=O)=C1 1457 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.176 CC1=C(I)C=C(C#N)C=C1 23826 [1,1,0,0,0,0|1,0,1]=4 1142 B10R1.176 CC1=C(N)C=C(C#N)C=C1 4665 [1,1,0,0,0,0|1,0,1]=4 1143 B10R1.176 CC1=C(O)C=C(C#N)C=C1 19802 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [1,1,0,0,0,0|1,0,0]=3 1145 B10R1.176 CC1=CC(C=O)=CN=C1Br 19576 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.176 CC1=CC(C=O)=CN=C1F 17126 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.176 CC1=CC(C=O)=CN=C1O 27644 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.176 CCC1=CC(Br)=C(N)C=C1 5314 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [1,1,0,0,0,0|1,0,1]=4 1150 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 3644 [1,1,0,0,0,0|1,0,1]=4 1151 B10R1.176 CCC1=CC=C(N)C(N)=C1 31890 [1,1,0,0,0,0|1,0,1]=4 1152 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [1,1,0,0,0,0|1,0,1]=4 1153 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 28299 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.176 COC1=CC(Br)=C(Br)C=C1 4110 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.176 COC1=CC(Br)=C(C)C=C1 24319 [1,1,0,0,0,0|1,0,0]=3 1156 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 4555 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.176 COC1=CC(Br)=C(F)C=C1 28354 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.176 COC1=CC(Br)=C(N)C=C1 31003 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.176 COC1=CC(Br)=C(N)C=C1 4332 [1,1,0,0,0,0|2,0,0]=4 1160 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [1,1,0,0,0,0|2,0,0]=4 1161 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 2631 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.176 COC1=CC(Cl)=C(C)C=C1 4101 [1,1,0,0,0,0|1,0,0]=3 1170 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 3683 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.176 COC1=CC(Cl)=C(F)C=C1 2660 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.176 COC1=CC(Cl)=C(I)C=C1 27614 [1,1,0,0,0,0|2,0,0]=4 1173 B10R1.176 COC1=CC(Cl)=C(N)C=C1 27577 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.176 COC1=CC(F)=C(Br)C=C1 1970 [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.176 COC1=CC(F)=C(Br)C=C1 20025 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.176 COC1=CC(F)=C(C)C=C1 2621 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.176 COC1=CC(F)=C(Cl)C=C1 2663 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.176 COC1=CC(F)=C(F)C=C1 3457 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.176 COC1=CC(F)=C(N)C=C1 15755 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.176 COC1=CC(I)=C(Br)C=C1 5347 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.176 COC1=CC(I)=C(Cl)C=C1 5291 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.176 COC1=CC(I)=C(N)C=C1 10738 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.176 COC1=CC(N)=C(Br)C=C1 5335 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.176 COC1=CC(N)=C(Br)C=C1 5367 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.176 COC1=CC(N)=C(C)C=C1 19827 [1,1,0,0,0,0|1,0,0]=3 1188 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3658 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3660 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.176 COC1=CC(N)=C(F)C=C1 15806 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.176 COC1=CC(N)=C(I)C=C1 31005 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.176 COC1=CC(N)=C(N)C=C1 28370 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.176 COC1=CC(N)=C(N)C=C1 28371 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [1,1,0,0,0,0|1,0,0]=3 1196 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.176 COC1=CC(S)=C(N)C=C1 21901 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.176 COc1ccc(Br)c(N)c1 26521 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.176 Cc1ccc(CO)cc1Cl 23926 [1,1,0,0,0,0|0,0,2]=4 1202 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 7763 [1,1,0,0,0,0|1,0,0]=3 1203 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 2878 [1,1,0,0,0,0|1,0,0]=3 1204 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 3778 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 8230 [1,1,0,0,0,0|1,0,0]=3 1206 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 1409 [1,1,0,0,0,0|1,0,0]=3 1207 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 7764 [1,1,0,0,0,0|1,0,0]=3 1208 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 4033 [1,1,0,0,0,0|1,0,0]=3 1209 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 1412 [1,1,0,0,0,0|1,0,0]=3 1210 B10R1.176 O=CC1=CC(F)=C(F)C=C1 1413 [1,1,0,0,0,0|1,0,0]=3 1211 B10R1.176 O=CC1=CC(F)=C(I)C=C1 1440 [1,1,0,0,0,0|1,0,0]=3 1212 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [1,1,0,0,0,0|1,0,0]=3 1214 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 28095 [1,1,0,0,0,0|1,0,0]=3 1215 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 28096 [1,1,0,0,0,0|1,0,0]=3 1216 B10R1.176 O=CC1=CC(I)=C(F)C=C1 5255 [1,1,0,0,0,0|1,0,0]=3 1217 B10R1.176 O=CC1=CC(I)=C(I)C=C1 28094 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 16848 [1,1,0,0,0,0|1,0,0]=3 1219 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 30917 [1,1,0,0,0,0|1,0,0]=3 1220 B10R1.176 O=CC1=CC(O)=C(I)C=C1 8597 [1,1,0,0,0,0|1,0,0]=3 1221 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [1,1,0,0,0,0|1,0,0]=3 1222 B10R1.176 O=CC1=CN=C(Br)C(Br)=C1 18593 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 17061 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 17052 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.176 O=CC1=CN=C(O)C(Cl)=C1 17091 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [1,1,0,0,0,0|1,0,1]=4 1227 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [1,1,0,0,0,0|0,0,1]=3 1228 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [1,1,0,0,0,0|1,0,1]=4 1229 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [1,1,0,0,0,0|1,0,1]=4 1230 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,1,0,0,0,0|1,0,1]=4 1231 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,1,0,0,0,0|1,0,1]=4 1232 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [1,1,0,0,0,0|1,0,0]=3 1233 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [1,1,0,0,0,0|1,0,1]=4 1235 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [1,1,0,0,0,0|1,0,1]=4 1236 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [1,1,0,0,0,0|0,0,0]=2 1237 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,1,0,0,0,0|1,0,1]=4 1238 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [1,1,0,0,0,0|1,0,0]=3 1239 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [1,1,0,0,0,0|1,0,0]=3 1240 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [1,1,0,0,0,0|1,0,0]=3 1242 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,1,0,0,0,0|1,0,1]=4 1246 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [1,1,0,0,0,0|0,0,0]=2 1247 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [1,1,0,0,0,0|0,0,0]=2 1248 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [1,1,0,0,0,0|0,0,0]=2 1249 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,1,0,0,0,0|0,0,2]=4 1250 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,1,0,0,0,0|0,0,2]=4 1251 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,1,0,0,0,0|0,0,2]=4 1252 B10R1.15 NNC(=O)C1=NC=CC=C1 23651 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.15 NNC(=O)c1ccccc1 21535 [1,1,0,0,0,0|1,0,0]=3 1254 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,1,0,0,0,0|1,0,1]=4 1255 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [1,1,0,0,0,0|0,0,0]=2 1258 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [1,1,0,0,0,0|1,0,0]=3 1259 B10R1.15 O=C(CBr)C1=NC=CN=C1 21375 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [1,1,0,0,0,0|0,0,0]=2 1261 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [1,1,0,0,0,0|0,0,0]=2 1262 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,1,0,0,0,0|0,0,0]=2 1263 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,1,0,0,0,0|0,0,2]=4 1264 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,1,0,0,0,0|0,0,2]=4 1265 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,1,0,0,0,0|0,0,2]=4 1266 B10R1.28 CC(C)(C)C1=CC=CC=C1 36004 [1,1,0,0,0,0|1,0,1]=4 1267 B10R1.28 CC(C)(N)C1=CC=CC=C1 19654 [1,1,0,0,0,0|1,0,1]=4 1268 B10R1.28 CC(C)(S)C1=CC=CC=C1 6849 [1,1,0,0,0,0|0,1,1]=4 1269 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 10862 [1,1,0,0,0,0|1,0,0]=3 1270 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 10814 [1,1,0,0,0,0|1,1,0]=4 1271 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 6464 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.28 O=P(O)(O)C1=CC=CC=C1 21303 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 10441 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.28 O=S(=O)(F)C1=CC=CC=C1 14507 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 21767 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [1,1,0,0,0,0|0,0,0]=2 1277 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [1,1,0,0,0,0|0,0,0]=2 1278 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [1,1,0,0,0,0|0,0,0]=2 1279 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [1,1,0,0,0,0|0,0,0]=2 1280 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [1,1,0,0,0,0|1,0,0]=3 1281 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [1,1,0,0,0,0|0,0,0]=2 1282 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [1,1,0,0,0,0|0,0,0]=2 1283 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [1,1,0,0,0,0|1,0,0]=3 1284 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [1,1,0,0,0,0|1,0,0]=3 1285 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [1,1,0,0,0,0|1,0,0]=3 1286 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [1,1,0,0,0,0|1,0,0]=3 1287 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [1,1,0,0,0,0|1,0,0]=3 1288 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [1,1,0,0,0,0|1,0,0]=3 1289 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [1,1,0,0,0,0|1,0,0]=3 1290 B10R1.61 CC(=O)C1=NC=CN=C1C 8616 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.61 CC(=O)C1=NC=CN=C1N 33762 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [1,1,0,0,0,0|1,0,1]=4 1293 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [1,1,0,0,0,0|1,0,1]=4 1294 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [1,1,0,0,0,0|1,0,1]=4 1295 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.61 CC1=C(C(O)=S)C=CC=C1 10795 [1,1,0,0,0,0|1,0,1]=4 1299 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [1,1,0,0,0,0|1,0,0]=3 1300 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [1,1,0,0,0,0|1,0,0]=3 1301 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.61 CC1=NC=CC=C1C(N)=O 22966 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3759 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 5269 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.61 CN(C)C1=C(F)C=CC=C1 5243 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 24734 [1,1,0,0,0,0|1,0,1]=4 1308 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [1,1,0,0,0,0|1,0,1]=4 1309 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [1,1,0,0,0,0|0,0,2]=4 1310 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [1,1,0,0,0,0|0,0,2]=4 1311 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [1,1,0,0,0,0|0,0,2]=4 1312 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 24731 [1,1,0,0,0,0|1,0,1]=4 1313 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 15728 [1,1,0,0,0,0|1,0,1]=4 1314 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [1,1,0,0,0,0|0,0,2]=4 1315 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [1,1,0,0,0,0|0,0,2]=4 1316 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [1,1,0,0,0,0|0,0,2]=4 1317 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [1,1,0,0,0,0|1,0,0]=3 1318 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 22133 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [1,1,0,0,0,0|1,0,0]=3 1320 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [1,1,0,0,0,0|1,0,0]=3 1321 B10R1.61 NC(=O)C1=C(F)C=NC=C1 15252 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [1,1,0,0,0,0|1,0,0]=3 1323 B10R1.61 NC(=O)C1=C(N)C=CN=C1 3187 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [1,1,0,0,0,0|1,0,0]=3 1325 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [1,1,0,0,0,0|1,0,0]=3 1326 B10R1.61 NC(=O)C1=CC=CN=C1N 14977 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.61 NC(=O)C1=NC=CC=C1N 16893 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [1,1,0,0,0,0|2,0,0]=4 1329 B10R1.61 NC(=O)c1cccnc1Br 10860 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [1,1,0,0,0,0|1,0,0]=3 1336 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 2599 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [1,1,0,0,0,0|1,0,0]=3 1338 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [1,1,0,0,0,0|1,0,0]=3 1339 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [1,1,0,0,0,0|2,0,0]=4 1343 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [1,1,0,0,0,0|1,0,0]=3 1344 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [1,1,0,0,0,0|1,0,0]=3 1348 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [1,1,0,0,0,0|2,0,0]=4 1350 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [1,1,0,0,0,0|2,0,0]=4 1351 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [1,1,0,0,0,0|2,0,0]=4 1352 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [1,1,0,0,0,0|1,0,0]=3 1353 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [1,1,0,0,0,0|2,0,0]=4 1354 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [1,1,0,0,0,0|2,0,0]=4 1355 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [1,1,0,0,0,0|2,0,0]=4 1356 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [1,1,0,0,0,0|2,0,0]=4 1358 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [1,1,0,0,0,0|2,0,0]=4 1359 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [1,1,0,0,0,0|1,0,0]=3 1361 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 3819 [1,1,0,0,0,0|2,0,0]=4 1362 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 2063 [1,1,0,0,0,0|2,0,0]=4 1363 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 3952 [1,1,0,0,0,0|2,0,0]=4 1364 B10R1.61 O=[N+]([O-])c1ccccc1Cl 18481 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.61 O=[N+]([O-])c1ccccc1F 28476 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [1,1,0,0,0,0|0,0,0]=2 1367 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [1,1,0,0,0,0|1,0,0]=3 1368 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [1,1,0,0,0,0|0,0,0]=2 1369 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [1,1,0,0,0,0|1,0,0]=3 1370 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [1,1,0,0,0,0|0,0,0]=2 1371 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [1,1,0,0,0,0|0,0,0]=2 1372 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [1,1,0,0,0,0|1,0,0]=3 1373 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [1,1,0,0,0,0|0,0,0]=2 1374 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [1,1,0,0,0,0|1,0,0]=3 1375 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [1,1,0,0,0,0|0,0,0]=2 1376 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [1,1,0,0,0,0|0,0,0]=2 1377 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [1,1,0,0,0,0|0,0,0]=2 1378 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [1,1,0,0,0,0|1,0,0]=3 1379 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [1,1,0,0,0,0|1,0,0]=3 1380 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [1,1,0,0,0,0|1,0,0]=3 1381 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [1,1,0,0,0,0|1,0,0]=3 1382 B10R1.113 CC(C)c1cccc(Br)c1 27489 [1,1,0,0,0,0|1,0,1]=4 1383 B10R1.113 CC(N)C1=CC(F)=CC=C1 24339 [1,1,0,0,0,0|1,0,1]=4 1384 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [1,1,0,0,0,0|0,0,2]=4 1385 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 14338 [1,1,0,0,0,0|2,0,0]=4 1386 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [1,1,0,0,0,0|1,0,0]=3 1387 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [1,1,0,0,0,0|1,0,0]=3 1389 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [1,1,0,0,0,0|2,0,0]=4 1390 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [1,1,0,0,0,0|2,0,0]=4 1391 B10R1.113 CC1=CC=CC(C(O)=S)=C1 28685 [1,1,0,0,0,0|1,0,1]=4 1392 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [1,1,0,0,0,0|2,0,0]=4 1393 B10R1.113 CN(C)C1=CC(Br)=CC=C1 3760 [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 3637 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.113 CN(C)C1=CC(F)=CC=C1 5244 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.113 CN(C)C1=CC(N)=CC=C1 14991 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.113 CN(C)C1=CC=CC(O)=C1 11072 [1,1,0,0,0,0|2,0,0]=4 1398 B10R1.113 C[C@@H](N)C1=CC(Cl)=CC=C1 24741 [1,1,0,0,0,0|1,0,1]=4 1399 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 24730 [1,1,0,0,0,0|1,0,1]=4 1400 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [1,1,0,0,0,0|0,0,2]=4 1401 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [1,1,0,0,0,0|0,0,2]=4 1402 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [1,1,0,0,0,0|0,0,2]=4 1403 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 14235 [1,1,0,0,0,0|1,0,1]=4 1404 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 24746 [1,1,0,0,0,0|1,0,1]=4 1405 B10R1.113 C[C@H](N)C1=CC(Cl)=CC=C1 24735 [1,1,0,0,0,0|1,0,1]=4 1406 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 25216 [1,1,0,0,0,0|1,0,1]=4 1407 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [1,1,0,0,0,0|0,0,2]=4 1408 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [1,1,0,0,0,0|0,0,2]=4 1409 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [1,1,0,0,0,0|0,0,2]=4 1410 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25825 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25933 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [1,1,0,0,0,0|1,0,0]=3 1413 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 16641 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [1,1,0,0,0,0|1,0,0]=3 1415 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 16074 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [1,1,0,0,0,0|1,0,0]=3 1417 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [1,1,0,0,0,0|1,0,0]=3 1418 B10R1.113 NC(=O)C1=CC(N)=NC=C1 16603 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 1212 [1,1,0,0,0,0|2,0,0]=4 1420 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 9223 [1,1,0,0,0,0|2,0,0]=4 1421 B10R1.113 NC(=O)C1=NC=CC(F)=C1 14534 [1,1,0,0,0,0|2,0,0]=4 1422 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 20134 [1,1,0,0,0,0|1,1,0]=4 1423 B10R1.113 NC(=S)C1=CC(F)=CC=C1 35675 [1,1,0,0,0,0|1,1,0]=4 1424 B10R1.113 NC1=CC(C(=O)O)=CN=C1 15914 [1,1,0,0,0,0|2,0,0]=4 1425 B10R1.113 NC1=CC(C(=O)O)=NC=C1 22241 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 24745 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [1,1,0,0,0,0|2,0,0]=4 1428 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2426 [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [1,1,0,0,0,0|1,0,0]=3 1430 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 16064 [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [1,1,0,0,0,0|1,0,0]=3 1432 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [1,1,0,0,0,0|1,0,0]=3 1433 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 9211 [1,1,0,0,0,0|2,0,0]=4 1434 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [1,1,0,0,0,0|1,0,0]=3 1435 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [1,1,0,0,0,0|2,0,0]=4 1436 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [1,1,0,0,0,0|1,0,0]=3 1437 B10R1.113 O=C(O)C1=CC(F)=NC=C1 3548 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [1,1,0,0,0,0|1,0,0]=3 1439 B10R1.113 O=C(O)C1=CC(I)=NC=C1 16692 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [1,1,0,0,0,0|1,0,0]=3 1441 B10R1.113 O=C(O)C1=CC(O)=NC=C1 16780 [1,1,0,0,0,0|2,0,0]=4 1442 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [1,1,0,0,0,0|1,0,0]=3 1443 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [1,1,0,0,0,0|2,0,0]=4 1444 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [1,1,0,0,0,0|2,0,0]=4 1445 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 1211 [1,1,0,0,0,0|2,0,0]=4 1446 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 11089 [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.113 O=C(O)C1=CN=CC(F)=C1 10942 [1,1,0,0,0,0|2,0,0]=4 1448 B10R1.113 O=C(O)C1=CN=CC(O)=C1 2415 [1,1,0,0,0,0|2,0,0]=4 1449 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [1,1,0,0,0,0|2,0,0]=4 1450 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [1,1,0,0,0,0|2,0,0]=4 1451 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [1,1,0,0,0,0|2,0,0]=4 1453 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 4064 [1,1,0,0,0,0|2,0,0]=4 1454 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [1,1,0,0,0,0|2,0,0]=4 1455 B10R1.113 O=C(O)C1=NC=CC(I)=C1 27885 [1,1,0,0,0,0|2,0,0]=4 1456 B10R1.113 O=C(O)C1=NC=CC(O)=C1 17131 [1,1,0,0,0,0|2,0,0]=4 1457 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 26798 [1,1,0,0,0,0|2,0,0]=4 1458 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 3820 [1,1,0,0,0,0|2,0,0]=4 1459 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 10642 [1,1,0,0,0,0|2,0,0]=4 1460 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 3954 [1,1,0,0,0,0|2,0,0]=4 1461 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 17999 [1,1,0,0,0,0|2,0,0]=4 1462 B10R1.14 COC(=O)C1=CC(Br)=CN1 13045 [0,1,0,0,1,0|2,0,0]=4 1463 B10R1.14 COC(=O)C1=CC=C(Cl)S1 27226 [0,1,0,0,1,0|2,0,0]=4 1464 B10R1.14 COC(=O)C1=CC=C(N)S1 15670 [0,1,0,0,1,0|2,0,0]=4 1465 B10R1.14 COC(=O)C1=CN(C)C=C1 25789 [0,1,0,0,1,0|1,0,0]=3 1466 B10R1.14 COC(=O)C1=CN(C)C=N1 9002 [0,1,0,0,1,0|2,0,0]=4 1467 B10R1.14 COC(=O)C1=CN(C)N=C1 23709 [0,1,0,0,1,0|2,0,0]=4 1468 B10R1.14 COC(=O)C1=COC(C)=N1 11666 [0,1,0,0,1,0|2,0,0]=4 1469 B10R1.14 COC(=O)C1=CSC(Br)=C1 27871 [0,1,0,0,1,0|2,0,0]=4 1470 B10R1.14 COC(=O)C1=CSC(Br)=C1 32397 [0,1,0,0,1,0|2,0,0]=4 1471 B10R1.14 COC(=O)C1=NC(C)=CS1 17196 [0,1,0,0,1,0|2,0,0]=4 1472 B10R1.14 COC(=O)C1=NC=C(C)S1 23005 [0,1,0,0,1,0|2,0,0]=4 1473 B10R1.14 COC(=O)C1=NN(C)C=C1 23715 [0,1,0,0,1,0|2,0,0]=4 1474 B10R1.14 COC(=O)c1cnc(C)o1 23889 [0,1,0,0,1,0|2,0,0]=4 1475 B10R1.14 O=C(CCl)C1=CC=C(Br)S1 5287 [0,1,0,0,1,0|2,0,0]=4 1476 B10R1.31 CC(=O)C1=CC=C(CO)O1 24280 [0,1,0,0,1,0|1,0,0]=3 1477 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [0,1,0,0,1,0|2,0,0]=4 1478 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 7743 [0,1,0,0,1,0|2,0,0]=4 1479 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 9941 [0,1,0,0,1,0|2,0,0]=4 1480 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 6964 [0,1,0,0,1,0|1,0,0]=3 1481 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 5517 [0,1,0,0,1,0|2,0,0]=4 1482 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 6936 [0,1,0,0,1,0|2,0,0]=4 1483 B10R1.59 CC1=CC(C(=O)O)=C(Cl)S1 7740 [0,1,0,0,1,0|2,0,0]=4 1484 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 23985 [0,1,0,0,1,0|2,0,0]=4 1485 B10R1.194 CC(=O)C1=CNC(Br)=C1C 22819 [0,1,0,0,1,0|2,0,0]=4 1486 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,1,0,0,0,1|0,0,1]=3 1487 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 13216 [0,1,0,0,0,1|0,0,1]=3 1488 B12R1.4 CC(=O)Nc1ccc(C=O)cc1 7786 [0,1,0,0,0,1|0,0,1]=3 1489 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [0,1,0,0,0,1|0,0,0]=2 1490 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 19844 [0,1,0,0,0,1|1,0,0]=3 1491 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [0,1,0,0,0,1|1,0,1]=4 1492 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 22162 [0,1,0,0,0,1|2,0,0]=4 1493 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [0,1,0,0,0,1|0,0,0]=2 1494 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 10785 [0,1,0,0,0,1|1,0,0]=3 1495 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 19712 [0,1,0,0,0,1|1,0,1]=4 1496 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 31939 [0,1,0,0,0,1|1,0,0]=3 1497 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 16459 [0,1,0,0,0,1|1,0,0]=3 1498 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 19630 [0,1,0,0,0,1|1,0,0]=3 1499 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 35738 [0,1,0,0,0,1|1,0,0]=3 1500 B12R1.19 CC(=O)NC1=NC(C)=C(Br)C=C1 6703 [0,1,0,0,0,1|2,0,0]=4 1501 B12R1.19 CC(=O)NC1=NC(C)=C(Cl)C=C1 6705 [0,1,0,0,0,1|2,0,0]=4 1502 B12R1.19 CC(=O)NC1=NC=C(Br)C(C)=C1 2604 [0,1,0,0,0,1|2,0,0]=4 1503 B12R1.19 CC(=O)NC1=NC=C(Cl)C(C)=C1 6704 [0,1,0,0,0,1|2,0,0]=4 1504 B12R1.19 CC(=O)NC1=NC=C(F)C(C)=C1 2970 [0,1,0,0,0,1|2,0,0]=4 1505 B12R1.19 CC(=O)NC1=NC=C(N)C(C)=C1 5545 [0,1,0,0,0,1|2,0,0]=4 1506 B12R1.19 CC(=O)OC1=CC(Br)=C(Cl)C=C1 3056 [0,1,0,0,0,1|1,0,0]=3 1507 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 24119 [0,1,0,0,0,1|2,0,0]=4 1508 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 10440 [0,1,0,0,0,1|1,0,0]=3 1509 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 28862 [0,1,0,0,0,1|1,0,0]=3 1510 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 5864 [0,1,0,0,0,1|1,0,0]=3 1511 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 31506 [0,1,0,0,0,1|2,0,0]=4 1512 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 31480 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 16866 [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 31765 [0,1,0,0,0,1|2,0,0]=4 1515 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 15175 [0,1,0,0,0,1|2,0,0]=4 1516 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 31528 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 20195 [0,1,0,0,0,1|2,0,0]=4 1518 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 4260 [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 12996 [0,1,0,0,0,1|2,0,0]=4 1520 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 35106 [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 4301 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 4154 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.19 O=C(O)CC1=CC(F)=C(I)C=C1 31430 [0,1,0,0,0,1|2,0,0]=4 1524 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 26176 [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 24320 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [0,1,0,0,0,1|1,0,0]=3 1527 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 14073 [0,1,0,0,0,1|1,0,0]=3 1528 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [0,1,0,0,0,1|2,0,0]=4 1529 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 31444 [0,1,0,0,0,1|2,0,0]=4 1530 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 5745 [0,1,0,0,0,1|2,0,0]=4 1531 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 20743 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 23753 [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 5933 [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 12445 [0,1,0,0,0,1|2,0,0]=4 1535 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 13435 [0,1,0,0,0,1|2,0,0]=4 1536 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 5931 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 13975 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 23439 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,1,0,0,0,1|1,0,0]=3 1541 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [0,1,0,0,0,1|1,0,0]=3 1542 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,1,0,0,0,1|1,0,0]=3 1543 B12R1.49 COC(=O)CC1=CCN(C)C=C1 13711 [0,1,0,0,0,1|1,0,1]=4 1544 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 8401 [0,1,0,0,0,1|1,0,0]=3 1545 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 5631 [0,1,0,0,0,1|2,0,0]=4 1546 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 14886 [0,1,0,0,0,1|1,0,0]=3 1547 B12R1.233 CC(=O)NC1=CN=C(N)C=C1C 5703 [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 31490 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 4174 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.233 Cc1ccc(CC(=O)O)c(C)c1 26355 [0,1,0,0,0,1|1,0,0]=3 1551 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 28844 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 11165 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 2703 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 31433 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 15026 [0,1,0,0,0,1|2,0,0]=4 1556 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 2710 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 13742 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 4292 [0,1,0,0,0,1|2,0,0]=4 1559 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 4093 [0,1,0,0,0,1|2,0,0]=4 1560 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 4194 [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 31469 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 15519 [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 29728 [0,2,0,0,0,0|0,0,1]=3 1564 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 28265 [0,2,0,0,0,0|0,0,0]=2 1565 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 12298 [0,2,0,0,0,0|0,0,1]=3 1566 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 33537 [0,2,0,0,0,0|0,0,0]=2 1567 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 19304 [0,2,0,0,0,0|1,0,1]=4 1568 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 17488 [0,2,0,0,0,0|0,0,1]=3 1569 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 13652 [0,2,0,0,0,0|0,0,0]=2 1570 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24217 [0,2,0,0,0,0|0,0,0]=2 1571 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24218 [0,2,0,0,0,0|0,0,0]=2 1572 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 19720 [0,2,0,0,0,0|1,0,0]=3 1573 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 14334 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 35347 [0,2,0,0,0,0|1,0,0]=3 1575 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [0,2,0,0,0,0|0,0,1]=3 1576 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 3261 [0,2,0,0,0,0|0,0,0]=2 1577 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 3270 [0,2,0,0,0,0|0,0,0]=2 1578 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [0,2,0,0,0,0|0,0,0]=2 1579 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 17801 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,2,0,0,0,0|0,0,2]=4 1581 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 12343 [0,2,0,0,0,0|0,0,1]=3 1582 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 12160 [0,2,0,0,0,0|0,0,2]=4 1583 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 22236 [0,2,0,0,0,0|0,0,2]=4 1584 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 15747 [0,2,0,0,0,0|0,0,1]=3 1585 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 34564 [0,2,0,0,0,0|1,0,1]=4 1586 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 36395 [0,2,0,0,0,0|1,0,1]=4 1587 B12R1.5 N#Cc1ccc(C(=O)CN)cc1 20059 [0,2,0,0,0,0|0,0,1]=3 1588 B12R1.6 C#CC1=CC=C(S(C)(=O)=O)C=C1 34396 [0,2,0,0,0,0|1,0,1]=4 1589 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 4892 [0,2,0,0,0,0|1,0,1]=4 1590 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 36097 [0,2,0,0,0,0|1,0,1]=4 1591 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 4711 [0,2,0,0,0,0|1,0,1]=4 1592 B12R1.6 CCC1=CC=C(S(=O)(=O)Cl)C=C1 5133 [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 35317 [0,2,0,0,0,0|1,0,1]=4 1594 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 24425 [0,2,0,0,0,0|0,0,2]=4 1595 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 10828 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 8151 [0,2,0,0,0,0|1,0,1]=4 1597 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 18666 [0,2,0,0,0,0|1,0,0]=3 1598 B12R1.6 O=S(=O)(Cl)C1=CC=C(CBr)C=C1 5067 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.6 O=S(=O)(F)C1=CC=C(CCl)C=C1 19847 [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 27549 [0,2,0,0,0,0|0,0,1]=3 1601 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 28244 [0,2,0,0,0,0|0,0,1]=3 1602 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 14420 [0,2,0,0,0,0|1,0,1]=4 1603 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 30642 [0,2,0,0,0,0|1,0,1]=4 1604 B12R1.48 CCC1=C(N)C=C([N+](=O)[O-])C=C1 27786 [0,2,0,0,0,0|2,0,0]=4 1605 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [0,2,0,0,0,0|1,0,0]=3 1606 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 21012 [0,2,0,0,0,0|0,0,0]=2 1607 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 4133 [0,2,0,0,0,0|2,0,0]=4 1608 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 28385 [0,2,0,0,0,0|2,0,0]=4 1609 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [0,2,0,0,0,0|0,0,0]=2 1610 B12R1.48 COC1=C(Cl)C=C([C@H](C)O)C=C1 15581 [0,2,0,0,0,0|0,0,2]=4 1611 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 19087 [0,2,0,0,0,0|2,0,0]=4 1612 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 1921 [0,2,0,0,0,0|1,0,0]=3 1613 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [0,2,0,0,0,0|1,0,0]=3 1614 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 3499 [0,2,0,0,0,0|0,0,0]=2 1615 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 2145 [0,2,0,0,0,0|2,0,0]=4 1616 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [0,2,0,0,0,0|1,0,0]=3 1617 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 5364 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [0,2,0,0,0,0|1,0,0]=3 1619 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 35459 [0,2,0,0,0,0|1,0,0]=3 1620 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 11610 [0,2,0,0,0,0|2,0,0]=4 1621 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [0,2,0,0,0,0|1,0,0]=3 1622 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [0,2,0,0,0,0|2,0,0]=4 1623 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [0,2,0,0,0,0|1,0,0]=3 1624 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 30638 [0,2,0,0,0,0|1,0,1]=4 1625 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 4604 [0,2,0,0,0,0|1,0,1]=4 1626 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 30636 [0,2,0,0,0,0|1,0,1]=4 1627 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 27612 [0,2,0,0,0,0|1,0,1]=4 1628 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 30603 [0,2,0,0,0,0|1,0,1]=4 1629 B12R1.48 O=CC1=C(F)C=C(C(=O)O)C=C1 30604 [0,2,0,0,0,0|1,0,1]=4 1630 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 31199 [0,2,0,0,0,0|0,0,0]=2 1631 B12R1.113 CC(C)C1=CC=C(CC#N)C=C1 17248 [0,2,0,0,0,0|1,0,1]=4 1632 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 10868 [0,2,0,0,0,0|1,0,0]=3 1633 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 2686 [0,2,0,0,0,0|1,0,0]=3 1634 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 3306 [0,2,0,0,0,0|0,0,0]=2 1635 B12R1.113 CCOC1=CC=C([N+](=O)[O-])C=C1 3190 [0,2,0,0,0,0|2,0,0]=4 1636 B12R1.113 N#CCC1=CC=C(C(=O)O)C=C1 30607 [0,2,0,0,0,0|1,0,0]=3 1637 B12R1.113 N#CCC1=CC=C([N+](=O)[O-])C=C1 7447 [0,2,0,0,0,0|2,0,0]=4 1638 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 11627 [0,2,0,0,0,0|2,0,0]=4 1639 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 11639 [0,2,0,0,0,0|2,0,0]=4 1640 B12R1.113 O=C(O)C1=CC=C(C#CBr)C=C1 35913 [0,2,0,0,0,0|1,0,1]=4 1641 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 30479 [0,2,0,0,0,0|1,0,0]=3 1642 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 14282 [0,2,0,0,0,0|2,0,0]=4 1643 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 1734 [0,2,0,0,0,0|1,0,0]=3 1644 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 3129 [0,2,0,0,0,0|0,0,1]=3 1645 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 3143 [0,2,0,0,0,0|0,0,0]=2 1646 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 25951 [0,2,0,0,0,0|0,0,0]=2 1647 B12R1.256 CC(=O)C1=NC=C([N+](=O)[O-])C=C1 18335 [0,2,0,0,0,0|2,0,0]=4 1648 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 20027 [0,2,0,0,0,0|1,0,0]=3 1649 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 33667 [0,2,0,0,0,0|2,0,0]=4 1650 B12R1.256 CN(C)C1=CC=C(N(C)C)C=C1 35746 [0,2,0,0,0,0|2,0,0]=4 1651 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 15338 [0,2,0,0,0,0|1,0,0]=3 1652 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 23250 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.256 C[C@H](N)c1ccc([N+](=O)[O-])cc1 7975 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 13398 [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 13419 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.256 O=C(Cl)C1=CC=C(B(O)O)C=C1 9545 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.256 O=C(Cl)C1=CC=C(C(=O)Cl)C=C1 26658 [0,2,0,0,0,0|1,0,1]=4 1658 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 22042 [0,2,0,0,0,0|2,0,0]=4 1659 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 1772 [0,2,0,0,0,0|2,0,0]=4 1660 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 26269 [0,2,0,0,0,0|1,0,1]=4 1661 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 15437 [0,2,0,0,0,0|2,0,0]=4 1662 B12R1.452 CC(=O)C1=C(O)C=C(C#N)C=C1 29274 [0,2,0,0,0,0|0,0,1]=3 1663 B12R1.452 CC1=C(C(=O)O)C=CC(C#N)=C1 30565 [0,2,0,0,0,0|1,0,1]=4 1664 B12R1.452 CC1=C([N+](=O)[O-])C=CC(CO)=C1 28810 [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.452 CNC1=CC(Cl)=C(C(=O)O)C=C1 24164 [0,2,0,0,0,0|1,0,0]=3 1666 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 17209 [0,2,0,0,0,0|1,0,0]=3 1667 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 31150 [0,2,0,0,0,0|2,0,0]=4 1668 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 30466 [0,2,0,0,0,0|1,0,0]=3 1669 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 4149 [0,2,0,0,0,0|2,0,0]=4 1670 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 14030 [0,2,0,0,0,0|1,0,0]=3 1671 B12R1.452 COC1=CC(F)=C(C(=O)Cl)C=C1 28648 [0,2,0,0,0,0|1,0,0]=3 1672 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 4965 [0,2,0,0,0,0|1,0,0]=3 1673 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 2548 [0,2,0,0,0,0|0,0,0]=2 1674 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 4139 [0,2,0,0,0,0|2,0,0]=4 1675 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 28384 [0,2,0,0,0,0|2,0,0]=4 1676 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 11856 [0,2,0,0,0,0|1,0,0]=3 1677 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 29252 [0,2,0,0,0,0|0,0,0]=2 1678 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 5365 [0,2,0,0,0,0|2,0,0]=4 1679 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 18895 [0,2,0,0,0,0|1,0,0]=3 1680 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 3271 [0,2,0,0,0,0|0,0,0]=2 1681 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 22230 [0,2,0,0,0,0|2,0,0]=4 1682 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 15182 [0,2,0,0,0,0|2,0,0]=4 1683 B12R1.452 COC1=NC(F)=C(C(=O)O)C=C1 27964 [0,2,0,0,0,0|2,0,0]=4 1684 B12R1.452 N#CC1=CC(Br)=C(C(=O)O)C=C1 30631 [0,2,0,0,0,0|1,0,1]=4 1685 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 4603 [0,2,0,0,0,0|1,0,1]=4 1686 B12R1.452 N#CC1=CC(N)=C(C(=O)O)C=C1 30630 [0,2,0,0,0,0|1,0,1]=4 1687 B12R1.452 O=[N+]([O-])C1=C(F)C=C(CBr)C=C1 28801 [0,2,0,0,0,0|2,0,0]=4 1688 B12R1.9 CC1=CC=C(S(=O)(=O)C#N)C=C1 23812 [0,2,0,0,0,0|1,0,1]=4 1689 B12R1.9 CC1=CC=C(S(=O)(=O)NN)C=C1 19753 [0,2,0,0,0,0|2,0,0]=4 1690 B12R1.9 CNS(=O)(=O)C1=CC=C(N)C=C1 15010 [0,2,0,0,0,0|2,0,0]=4 1691 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 27325 [0,2,0,0,0,0|1,0,0]=3 1692 B12R1.9 CSS(=O)(=O)C1=CC=C(C)C=C1 26030 [0,2,0,0,0,0|1,0,0]=3 1693 B12R1.23 CC1=C(C)C=C(S(=O)(=O)Cl)C=C1 29242 [0,2,0,0,0,0|2,0,0]=4 1694 B12R1.23 CC1=C(Cl)C=C(S(=O)(=O)Cl)C=C1 5098 [0,2,0,0,0,0|2,0,0]=4 1695 B12R1.23 CC1=C(F)C=C(S(=O)(=O)Cl)C=C1 11718 [0,2,0,0,0,0|2,0,0]=4 1696 B12R1.23 CC1=C(F)C=C(S(N)(=O)=O)C=C1 11776 [0,2,0,0,0,0|2,0,0]=4 1697 B12R1.23 CC1=C(N)C=C(C(C)(C)C)C=C1 27805 [0,2,0,0,0,0|1,0,1]=4 1698 B12R1.23 CS(=O)(=O)C1=CC(F)=C(Br)C=C1 20470 [0,2,0,0,0,0|2,0,0]=4 1699 B12R1.23 CS(=O)(=O)C1=CC(F)=C(F)C=C1 20706 [0,2,0,0,0,0|2,0,0]=4 1700 B12R1.23 CS(=O)(=O)C1=CC(F)=C(N)C=C1 19626 [0,2,0,0,0,0|2,0,0]=4 1701 B12R1.23 CS(=O)(=O)C1=CC(F)=C(N)C=C1 24816 [0,2,0,0,0,0|2,0,0]=4 1702 B12R1.23 CS(=O)(=O)C1=CC(N)=C(O)C=C1 10754 [0,2,0,0,0,0|2,0,0]=4 1703 B12R1.126 CC1=CC(C)=C(S(=O)(=O)Cl)C=C1 26648 [0,2,0,0,0,0|2,0,0]=4 1704 B12R1.126 CC1=CC(F)=C(S(=O)(=O)Cl)C=C1 8490 [0,2,0,0,0,0|2,0,0]=4 1705 B12R1.126 CC1=CC(N)=C(S(N)(=O)=O)C=C1 19799 [0,2,0,0,0,0|2,0,0]=4 1706 B12R1.126 CC1=CC(O)=C(C(C)(C)C)C=C1 24316 [0,2,0,0,0,0|1,0,1]=4 1707 B12R1.126 CS(=O)(=O)C1=C(N)C=C(F)C=C1 10127 [0,2,0,0,0,0|2,0,0]=4 1708 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 26789 [0,2,0,0,0,0|1,0,0]=3 1709 B12R1.56 CC(=O)C1=CC(C#N)=C(Br)C=C1 31206 [0,2,0,0,0,0|1,0,0]=3 1710 B12R1.56 CC(=O)C1=CC(C#N)=C(F)C=C1 31187 [0,2,0,0,0,0|1,0,0]=3 1711 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 28703 [0,2,0,0,0,0|1,0,0]=3 1712 B12R1.56 CC1=C(C#N)C=C([N+](=O)[O-])C=C1 28761 [0,2,0,0,0,0|2,0,0]=4 1713 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 30639 [0,2,0,0,0,0|1,0,0]=3 1714 B12R1.56 CC1=C(C=O)C=C([N+](=O)[O-])C=C1 25864 [0,2,0,0,0,0|2,0,0]=4 1715 B12R1.56 CCC1=C(F)C=CC(C(=O)O)=C1 25823 [0,2,0,0,0,0|2,0,0]=4 1716 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 28522 [0,2,0,0,0,0|2,0,0]=4 1717 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 24786 [0,2,0,0,0,0|2,0,0]=4 1718 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 2672 [0,2,0,0,0,0|1,0,0]=3 1719 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 31231 [0,2,0,0,0,0|0,0,0]=2 1720 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 2628 [0,2,0,0,0,0|2,0,0]=4 1721 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [0,2,0,0,0,0|2,0,0]=4 1722 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 1394 [0,2,0,0,0,0|2,0,0]=4 1723 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 4234 [0,2,0,0,0,0|1,0,0]=3 1724 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 3131 [0,2,0,0,0,0|2,0,0]=4 1725 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [0,2,0,0,0,0|2,0,0]=4 1726 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 3315 [0,2,0,0,0,0|1,0,0]=3 1727 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=C1 30573 [0,2,0,0,0,0|2,0,0]=4 1728 B12R1.56 N#CC1=C(F)C=CC(C(=O)O)=C1 4601 [0,2,0,0,0,0|2,0,0]=4 1729 B12R1.56 N#CC1=C(N)C=CC(C(=O)O)=C1 30606 [0,2,0,0,0,0|2,0,0]=4 1730 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 16076 [0,2,0,0,0,0|2,0,0]=4 1731 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 30476 [0,2,0,0,0,0|2,0,0]=4 1732 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 25762 [0,2,0,0,0,0|2,0,0]=4 1733 B12R1.232 CC(=O)C1=C(Cl)C=C(Cl)C(F)=C1 3374 [0,2,0,0,0,0|1,0,0]=3 1734 B12R1.232 CC(=O)C1=C(Cl)C=C(F)C(F)=C1 23586 [0,2,0,0,0,0|1,0,0]=3 1735 B12R1.232 CC(=O)C1=C(F)C=C(C)C(Cl)=C1 31201 [0,2,0,0,0,0|0,0,0]=2 1736 B12R1.232 CC(=O)C1=C(F)C=C(F)C(Br)=C1 22074 [0,2,0,0,0,0|1,0,0]=3 1737 B12R1.232 CC(=O)C1=C(F)C=C(F)C(F)=C1 4288 [0,2,0,0,0,0|1,0,0]=3 1738 B12R1.232 CC(=O)C1=C(N)C=C(Br)C(F)=C1 29128 [0,2,0,0,0,0|1,0,0]=3 1739 B12R1.232 CC(=O)C1=C(N)C=C(Cl)C(Br)=C1 29247 [0,2,0,0,0,0|1,0,0]=3 1740 B12R1.232 CC(=O)C1=C(N)C=C(Cl)C(F)=C1 29129 [0,2,0,0,0,0|1,0,0]=3 1741 B12R1.232 CC(=O)C1=C(O)C=C(C)C(C)=C1 29281 [0,2,0,0,0,0|0,0,0]=2 1742 B12R1.232 CC(=O)C1=C(O)C=C(F)C(F)=C1 29146 [0,2,0,0,0,0|1,0,0]=3 1743 B12R1.232 CC(=O)c1cc(F)c(Br)cc1F 27507 [0,2,0,0,0,0|1,0,0]=3 1744 B12R1.232 CC1=C(C(=O)O)C=C(F)C(F)=C1 8243 [0,2,0,0,0,0|2,0,0]=4 1745 B12R1.232 CC1=C(Cl)C=C([N+](=O)[O-])C(F)=C1 21306 [0,2,0,0,0,0|2,0,0]=4 1746 B12R1.232 CC1=C(Cl)C=C([N+](=O)[O-])C(F)=C1 28978 [0,2,0,0,0,0|2,0,0]=4 1747 B12R1.232 CC1=C(F)C=C([N+](=O)[O-])C(F)=C1 2555 [0,2,0,0,0,0|2,0,0]=4 1748 B12R1.232 CC1=C(N)C=C([N+](=O)[O-])C(F)=C1 28322 [0,2,0,0,0,0|2,0,0]=4 1749 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1F 1364 [0,2,0,0,0,0|1,0,0]=3 1750 B12R1.232 CC1=CC(C(=O)O)=C(Br)C=C1F 1362 [0,2,0,0,0,0|2,0,0]=4 1751 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1Br 1365 [0,2,0,0,0,0|2,0,0]=4 1752 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1F 8228 [0,2,0,0,0,0|2,0,0]=4 1753 B12R1.232 CC1=CC(C(=O)O)=C(N)C=C1Cl 15932 [0,2,0,0,0,0|2,0,0]=4 1754 B12R1.232 CC1=CC(C)=C(Br)C=C1[N+](=O)[O-] 19926 [0,2,0,0,0,0|2,0,0]=4 1755 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1Br 27675 [0,2,0,0,0,0|1,0,0]=3 1756 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C 15442 [0,2,0,0,0,0|1,0,0]=3 1757 B12R1.232 CC1=CC(C)=C(N)C=C1[N+](=O)[O-] 28315 [0,2,0,0,0,0|2,0,0]=4 1758 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1Cl 30698 [0,2,0,0,0,0|1,0,0]=3 1759 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1F 30543 [0,2,0,0,0,0|1,0,0]=3 1760 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Br 35901 [0,2,0,0,0,0|1,0,0]=3 1761 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Cl 23768 [0,2,0,0,0,0|1,0,0]=3 1762 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F 4944 [0,2,0,0,0,0|1,0,0]=3 1763 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1O 28642 [0,2,0,0,0,0|1,0,0]=3 1764 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C 28519 [0,2,0,0,0,0|1,0,0]=3 1765 B12R1.232 CC1=CC(N)=C([N+](=O)[O-])C=C1C 28317 [0,2,0,0,0,0|2,0,0]=4 1766 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I 28668 [0,2,0,0,0,0|1,0,0]=3 1767 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1Br 19801 [0,2,0,0,0,0|1,0,1]=4 1768 B12R1.232 CC1=NC(N)=C(C(N)=O)C=C1Br 5714 [0,2,0,0,0,0|2,0,0]=4 1769 B12R1.232 NC1=C(C(=O)O)C=C(Br)C(Br)=C1 27557 [0,2,0,0,0,0|2,0,0]=4 1770 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Br)=C1 19833 [0,2,0,0,0,0|2,0,0]=4 1771 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Cl)=C1 4657 [0,2,0,0,0,0|2,0,0]=4 1772 B12R1.232 NC1=C(C(=O)O)C=C(F)C(Cl)=C1 30560 [0,2,0,0,0,0|2,0,0]=4 1773 B12R1.232 NC1=C(C(=O)O)C=C(F)C(F)=C1 4675 [0,2,0,0,0,0|2,0,0]=4 1774 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 28514 [0,2,0,0,0,0|2,0,0]=4 1775 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1F 8202 [0,2,0,0,0,0|2,0,0]=4 1776 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 1777 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 1778 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 1779 B12R1.232 O=C(O)C1=C(Br)C=C(F)C(F)=C1 4991 [0,2,0,0,0,0|2,0,0]=4 1780 B12R1.232 O=C(O)C1=C(Br)C=C(O)C(Br)=C1 30597 [0,2,0,0,0,0|2,0,0]=4 1781 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(Cl)=C1 30480 [0,2,0,0,0,0|2,0,0]=4 1782 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(F)=C1 1361 [0,2,0,0,0,0|2,0,0]=4 1783 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 1338 [0,2,0,0,0,0|2,0,0]=4 1784 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(F)=C1 1339 [0,2,0,0,0,0|2,0,0]=4 1785 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(F)=C1 28555 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Br)=C1 3556 [0,2,0,0,0,0|2,0,0]=4 1787 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 4615 [0,2,0,0,0,0|2,0,0]=4 1788 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(F)=C1 1367 [0,2,0,0,0,0|2,0,0]=4 1789 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Cl)=C1 1343 [0,2,0,0,0,0|2,0,0]=4 1790 B12R1.232 O=C(O)C1=C(F)C=C(F)C(F)=C1 1346 [0,2,0,0,0,0|2,0,0]=4 1791 B12R1.232 O=C(O)C1=C(I)C=C(F)C(F)=C1 18500 [0,2,0,0,0,0|2,0,0]=4 1792 B12R1.232 O=C(O)C1=C(O)C=C(F)C(Cl)=C1 30645 [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.232 O=C([O-])C1=C(F)C=C(F)C(F)=C1 28699 [0,2,0,0,0,0|2,0,0]=4 1794 B12R1.367 CC1=C(C)C=C(C(=O)CBr)C=C1 31208 [0,2,0,0,0,0|0,0,0]=2 1795 B12R1.367 CC1=C(F)C=C(C(=O)CCl)C=C1 29141 [0,2,0,0,0,0|0,0,0]=2 1796 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 29293 [0,2,0,0,0,0|1,0,0]=3 1797 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 3967 [0,2,0,0,0,0|0,0,0]=2 1798 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 18716 [0,2,0,0,0,0|1,0,0]=3 1799 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 25997 [0,2,0,0,0,0|1,0,0]=3 1800 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 30454 [0,2,0,0,0,0|1,0,0]=3 1801 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 3970 [0,2,0,0,0,0|1,0,0]=3 1802 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 3710 [0,2,0,0,0,0|1,0,0]=3 1803 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 18887 [0,2,0,0,0,0|1,0,0]=3 1804 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 2351 [0,2,0,0,0,0|1,0,0]=3 1805 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 30528 [0,2,0,0,0,0|1,0,0]=3 1806 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=C1 10935 [0,2,0,0,0,0|0,0,0]=2 1807 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 10804 [0,2,0,0,0,0|1,0,0]=3 1808 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 30511 [0,2,0,0,0,0|1,0,0]=3 1809 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 30521 [0,2,0,0,0,0|1,0,0]=3 1810 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 16655 [0,2,0,0,0,0|0,0,0]=2 1811 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 14795 [0,2,0,0,0,0|1,0,0]=3 1812 B12R1.367 COC(=O)C1=CC(F)=C(I)C=C1 30688 [0,2,0,0,0,0|1,0,0]=3 1813 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 28528 [0,2,0,0,0,0|1,0,0]=3 1814 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 30515 [0,2,0,0,0,0|0,0,0]=2 1815 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 10432 [0,2,0,0,0,0|1,0,0]=3 1816 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 27778 [0,2,0,0,0,0|1,0,0]=3 1817 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 16736 [0,2,0,0,0,0|1,0,0]=3 1818 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 10930 [0,2,0,0,0,0|0,0,0]=2 1819 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 26806 [0,2,0,0,0,0|1,0,0]=3 1820 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 10509 [0,2,0,0,0,0|1,0,0]=3 1821 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 4610 [0,2,0,0,0,0|1,0,0]=3 1822 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 28531 [0,2,0,0,0,0|1,0,0]=3 1823 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 30757 [0,2,0,0,0,0|1,0,0]=3 1824 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 13647 [0,2,0,0,0,0|0,0,0]=2 1825 B12R1.367 COC(=O)C1=CC(O)=C(F)C=C1 3567 [0,2,0,0,0,0|1,0,0]=3 1826 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 31767 [0,2,0,0,0,0|1,0,0]=3 1827 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 3149 [0,2,0,0,0,0|1,0,0]=3 1828 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 34764 [0,2,0,0,0,0|2,0,0]=4 1829 B12R1.367 COC(=O)C1=CN=C(Br)C(F)=C1 24635 [0,2,0,0,0,0|2,0,0]=4 1830 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 12980 [0,2,0,0,0,0|2,0,0]=4 1831 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 24636 [0,2,0,0,0,0|2,0,0]=4 1832 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=C1 9472 [0,2,0,0,0,0|2,0,0]=4 1833 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 34542 [0,2,0,0,0,0|2,0,0]=4 1834 B12R1.367 COC(=O)c1ccc(F)c(N)c1 30508 [0,2,0,0,0,0|1,0,0]=3 1835 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 3262 [0,2,0,0,0,0|1,0,0]=3 1836 B12R1.367 O=C(CBr)C1=CC(F)=C(F)C=C1 2118 [0,2,0,0,0,0|1,0,0]=3 1837 B12R1.367 O=C(CCl)C1=CC(Cl)=C(Cl)C=C1 20021 [0,2,0,0,0,0|1,0,0]=3 1838 B12R1.367 O=C(CCl)C1=CC(F)=C(F)C=C1 13423 [0,2,0,0,0,0|1,0,0]=3 1839 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 3386 [0,2,0,0,0,0|1,0,0]=3 1840 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 29277 [0,2,0,0,0,0|1,0,0]=3 1841 B12R1.367 O=CC(=O)C1=CC(Cl)=C(Cl)C=C1 12332 [0,2,0,0,0,0|1,0,1]=4 1842 B12R1.367 O=CC(=O)C1=CC(F)=C(F)C=C1 12210 [0,2,0,0,0,0|1,0,1]=4 1843 B12R1.893 CC(=O)C1=C(F)C(F)=C(C)C=C1 29150 [0,2,0,0,0,0|0,0,0]=2 1844 B12R1.893 CC(=O)C1=C(F)C(F)=C(F)C=C1 8438 [0,2,0,0,0,0|1,0,0]=3 1845 B12R1.893 CC(=O)C1=C(F)C(O)=C(F)C=C1 29144 [0,2,0,0,0,0|1,0,0]=3 1846 B12R1.893 CC(=O)C1=C(O)C(O)=C(O)C=C1 3246 [0,2,0,0,0,0|1,0,0]=3 1847 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1F 8240 [0,2,0,0,0,0|2,0,0]=4 1848 B12R1.893 CC1=C(C)C(N)=C(C(=O)O)C=C1 4683 [0,2,0,0,0,0|1,0,0]=3 1849 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F 4943 [0,2,0,0,0,0|2,0,0]=4 1850 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C 28520 [0,2,0,0,0,0|2,0,0]=4 1851 B12R1.893 CC1=CC=C([N+](=O)[O-])C(C)=C1Br 31569 [0,2,0,0,0,0|2,0,0]=4 1852 B12R1.893 CC1=CC=C([N+](=O)[O-])C(Cl)=C1O 22026 [0,2,0,0,0,0|2,0,0]=4 1853 B12R1.893 CC1=CC=C([N+](=O)[O-])C(N)=C1F 31004 [0,2,0,0,0,0|2,0,0]=4 1854 B12R1.893 CC1=CC=C([N+](=O)[O-])C(O)=C1Br 33936 [0,2,0,0,0,0|2,0,0]=4 1855 B12R1.893 Cc1ccc([N+](=O)[O-])c(C)c1F 28471 [0,2,0,0,0,0|2,0,0]=4 1856 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1F 30699 [0,2,0,0,0,0|2,0,0]=4 1857 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1Cl 17205 [0,2,0,0,0,0|2,0,0]=4 1858 B12R1.893 NC1=C(C(=O)O)C=CC(F)=C1F 28515 [0,2,0,0,0,0|2,0,0]=4 1859 B12R1.893 NC1=C(F)C(F)=C(C(=O)O)C=C1 4674 [0,2,0,0,0,0|2,0,0]=4 1860 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 1861 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 1862 B12R1.893 O=C(O)C1=C(Br)C(F)=C(F)C=C1 4992 [0,2,0,0,0,0|2,0,0]=4 1863 B12R1.893 O=C(O)C1=C(Br)C(O)=C(Br)C=C1 33930 [0,2,0,0,0,0|2,0,0]=4 1864 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(F)C=C1 4613 [0,2,0,0,0,0|2,0,0]=4 1865 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)C=C1 30701 [0,2,0,0,0,0|2,0,0]=4 1866 B12R1.893 O=C(O)C1=C(Cl)C(O)=C(Br)C=C1 33931 [0,2,0,0,0,0|2,0,0]=4 1867 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 2217 [0,2,0,0,0,0|2,0,0]=4 1868 B12R1.893 O=C(O)C1=C(F)C(F)=C(Br)C=C1 4994 [0,2,0,0,0,0|2,0,0]=4 1869 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 4744 [0,2,0,0,0,0|2,0,0]=4 1870 B12R1.893 O=C(O)C1=C(F)C(F)=C(F)C=C1 1345 [0,2,0,0,0,0|2,0,0]=4 1871 B12R1.893 O=C(O)C1=C(F)C(F)=C(O)C=C1 2609 [0,2,0,0,0,0|2,0,0]=4 1872 B12R1.893 O=C(O)C1=C(F)C(O)=C(F)C=C1 4937 [0,2,0,0,0,0|2,0,0]=4 1873 B12R1.893 O=C(O)C1=C(O)C(F)=C(F)C=C1 28626 [0,2,0,0,0,0|2,0,0]=4 1874 B12R1.893 O=C(O)C1=C(O)C(O)=C(Br)C=C1 33932 [0,2,0,0,0,0|2,0,0]=4 1875 B12R1.893 O=C([O-])C1=C(F)C(F)=C(F)C=C1 28694 [0,2,0,0,0,0|2,0,0]=4 1876 B12R1.1005 CC(=O)C1=CC(Br)=C(N)C(Br)=C1 7459 [0,2,0,0,0,0|1,0,0]=3 1877 B12R1.1005 CC(=O)C1=CC(Br)=C(O)C(Br)=C1 28246 [0,2,0,0,0,0|1,0,0]=3 1878 B12R1.1005 CC(=O)C1=CC(Cl)=C(N)C(Cl)=C1 3290 [0,2,0,0,0,0|1,0,0]=3 1879 B12R1.1005 CC(=O)C1=CC(F)=C(Br)C(F)=C1 31234 [0,2,0,0,0,0|1,0,0]=3 1880 B12R1.1005 CC(=O)C1=CC(F)=C(F)C(F)=C1 7392 [0,2,0,0,0,0|1,0,0]=3 1881 B12R1.1005 CC(=O)C1=CC(F)=C(N)C(F)=C1 4092 [0,2,0,0,0,0|1,0,0]=3 1882 B12R1.1005 CC(=O)C1=CC(F)=C(O)C(F)=C1 12937 [0,2,0,0,0,0|1,0,0]=3 1883 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1Br 3897 [0,2,0,0,0,0|1,0,0]=3 1884 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1F 30471 [0,2,0,0,0,0|1,0,0]=3 1885 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl 30468 [0,2,0,0,0,0|1,0,0]=3 1886 B12R1.1005 CC1=C(Cl)C=C([N+](=O)[O-])C=C1Cl 9506 [0,2,0,0,0,0|2,0,0]=4 1887 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1F 30540 [0,2,0,0,0,0|1,0,0]=3 1888 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1I 29115 [0,2,0,0,0,0|1,0,0]=3 1889 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1O 4755 [0,2,0,0,0,0|1,0,0]=3 1890 B12R1.1005 CC1=C(F)C=C([N+](=O)[O-])C=C1F 31568 [0,2,0,0,0,0|2,0,0]=4 1891 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1F 4694 [0,2,0,0,0,0|1,0,0]=3 1892 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O 3868 [0,2,0,0,0,0|1,0,0]=3 1893 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br 28557 [0,2,0,0,0,0|2,0,0]=4 1894 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N 24790 [0,2,0,0,0,0|2,0,0]=4 1895 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1O 16247 [0,2,0,0,0,0|2,0,0]=4 1896 B12R1.1005 CC1=CC(C(=O)O)=CC(Cl)=C1N 13409 [0,2,0,0,0,0|2,0,0]=4 1897 B12R1.1005 CC1=CC(C(=O)O)=CC(F)=C1F 28992 [0,2,0,0,0,0|2,0,0]=4 1898 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1Br 23419 [0,2,0,0,0,0|2,0,0]=4 1899 B12R1.1005 CC1=CC([N+](=O)[O-])=CC(N)=C1C 31036 [0,2,0,0,0,0|2,0,0]=4 1900 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1Br 22563 [0,2,0,0,0,0|2,0,0]=4 1901 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 17129 [0,2,0,0,0,0|2,0,0]=4 1902 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl 14451 [0,2,0,0,0,0|2,0,0]=4 1903 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1F 28517 [0,2,0,0,0,0|2,0,0]=4 1904 B12R1.1005 NC1=C(I)C=C(C(=O)O)C=C1I 4681 [0,2,0,0,0,0|2,0,0]=4 1905 B12R1.1005 O=C(Cl)C1=CC(F)=C(F)C(F)=C1 20778 [0,2,0,0,0,0|2,0,0]=4 1906 B12R1.1005 O=C(O)C1=CC(Br)=C(Cl)C(Cl)=C1 30751 [0,2,0,0,0,0|2,0,0]=4 1907 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(F)=C1 28554 [0,2,0,0,0,0|2,0,0]=4 1908 B12R1.1005 O=C(O)C1=CC(Br)=C(O)C(Br)=C1 3857 [0,2,0,0,0,0|2,0,0]=4 1909 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 28693 [0,2,0,0,0,0|2,0,0]=4 1910 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(Cl)=C1 1378 [0,2,0,0,0,0|2,0,0]=4 1911 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 4741 [0,2,0,0,0,0|2,0,0]=4 1912 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(Cl)=C1 3689 [0,2,0,0,0,0|2,0,0]=4 1913 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 34859 [0,2,0,0,0,0|2,0,0]=4 1914 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 30704 [0,2,0,0,0,0|2,0,0]=4 1915 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 1348 [0,2,0,0,0,0|2,0,0]=4 1916 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 28627 [0,2,0,0,0,0|2,0,0]=4 1917 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 33424 [0,2,0,0,0,0|2,0,0]=4 1918 B12R1.1005 O=C(O)C1=CC(O)=C(Br)C(O)=C1 8196 [0,2,0,0,0,0|2,0,0]=4 1919 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 12072 [0,2,0,0,0,0|0,0,0]=2 1920 B12R1.16 CC1=CN=C(C(=O)CC#N)C=C1 12083 [0,2,0,0,0,0|1,0,0]=3 1921 B12R1.16 CCCC(=O)C1=CC=C(Cl)N=C1 19452 [0,2,0,0,0,0|2,0,0]=4 1922 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 21420 [0,2,0,0,0,0|1,0,0]=3 1923 B12R1.16 CCNC(=O)C1=CN=C(Br)C=C1 9636 [0,2,0,0,0,0|2,0,0]=4 1924 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 3946 [0,2,0,0,0,0|1,0,0]=3 1925 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 15489 [0,2,0,0,0,0|0,0,0]=2 1926 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 3705 [0,2,0,0,0,0|1,0,0]=3 1927 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 15179 [0,2,0,0,0,0|2,0,0]=4 1928 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 3471 [0,2,0,0,0,0|1,0,0]=3 1929 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 3886 [0,2,0,0,0,0|1,0,0]=3 1930 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 20417 [0,2,0,0,0,0|1,0,0]=3 1931 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 27408 [0,2,0,0,0,0|1,0,0]=3 1932 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 12417 [0,2,0,0,0,0|2,0,0]=4 1933 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 23611 [0,2,0,0,0,0|2,0,0]=4 1934 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 12621 [0,2,0,0,0,0|2,0,0]=4 1935 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 12042 [0,2,0,0,0,0|1,0,0]=3 1936 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 12045 [0,2,0,0,0,0|1,0,0]=3 1937 B12R1.16 N#CCC(=O)C1=CC=C(Cl)N=C1 12092 [0,2,0,0,0,0|2,0,0]=4 1938 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 12048 [0,2,0,0,0,0|1,0,0]=3 1939 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 12038 [0,2,0,0,0,0|1,0,0]=3 1940 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 13267 [0,2,0,0,0,0|1,0,0]=3 1941 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 13270 [0,2,0,0,0,0|1,0,0]=3 1942 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 13250 [0,2,0,0,0,0|1,0,0]=3 1943 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 16796 [0,2,0,0,0,0|0,0,0]=2 1944 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 24408 [0,2,0,0,0,0|1,0,0]=3 1945 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 27629 [0,2,0,0,0,0|1,0,0]=3 1946 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 27568 [0,2,0,0,0,0|1,0,0]=3 1947 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 28779 [0,2,0,0,0,0|1,0,0]=3 1948 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 22934 [0,2,0,0,0,0|1,0,0]=3 1949 B12R1.1703 CNC(=O)c1ccc(N)cc1F 34919 [0,2,0,0,0,0|1,0,0]=3 1950 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 14035 [0,2,0,0,0,0|0,0,0]=2 1951 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 28546 [0,2,0,0,0,0|1,0,0]=3 1952 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 28558 [0,2,0,0,0,0|1,0,0]=3 1953 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 30570 [0,2,0,0,0,0|1,0,0]=3 1954 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 34395 [0,2,0,0,0,0|1,0,0]=3 1955 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 21350 [0,2,0,0,0,0|1,0,0]=3 1956 B12R1.1703 COC(=O)C1=C(C)C=C(Cl)C=C1 30758 [0,2,0,0,0,0|1,0,0]=3 1957 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 13977 [0,2,0,0,0,0|1,0,0]=3 1958 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 26459 [0,2,0,0,0,0|1,0,0]=3 1959 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=C1 3713 [0,2,0,0,0,0|1,0,0]=3 1960 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 18760 [0,2,0,0,0,0|1,0,0]=3 1961 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 4647 [0,2,0,0,0,0|1,0,0]=3 1962 B12R1.1703 COC(=O)C1=C(Cl)N=C(Cl)C=C1 36135 [0,2,0,0,0,0|2,0,0]=4 1963 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 18624 [0,2,0,0,0,0|1,0,0]=3 1964 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 15678 [0,2,0,0,0,0|1,0,0]=3 1965 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 28644 [0,2,0,0,0,0|1,0,0]=3 1966 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 28527 [0,2,0,0,0,0|1,0,0]=3 1967 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 28639 [0,2,0,0,0,0|1,0,0]=3 1968 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 4635 [0,2,0,0,0,0|1,0,0]=3 1969 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 30496 [0,2,0,0,0,0|0,0,0]=2 1970 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)C=C1 4643 [0,2,0,0,0,0|1,0,0]=3 1971 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 28524 [0,2,0,0,0,0|1,0,0]=3 1972 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 30520 [0,2,0,0,0,0|1,0,0]=3 1973 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 32352 [0,2,0,0,0,0|1,0,0]=3 1974 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 35728 [0,2,0,0,0,0|1,0,0]=3 1975 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O 4089 [0,2,0,0,0,0|1,0,0]=3 1976 B12R1.1703 COC(=O)C1=CN=C(C)N=C1Cl 34359 [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl 12979 [0,2,0,0,0,0|2,0,0]=4 1978 B12R1.1703 COC(=O)C1=CN=C(N)C=C1Cl 23577 [0,2,0,0,0,0|2,0,0]=4 1979 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O 25858 [0,2,0,0,0,0|2,0,0]=4 1980 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C 17156 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl 21385 [0,2,0,0,0,0|2,0,0]=4 1982 B12R1.1703 COC(=O)c1ccc(Br)cc1Br 24437 [0,2,0,0,0,0|1,0,0]=3 1983 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 18183 [0,2,0,0,0,0|1,0,0]=3 1984 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 16751 [0,2,0,0,0,0|1,0,0]=3 1985 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 22349 [0,2,0,0,0,0|1,0,0]=3 1986 B12R1.1703 NNC(=O)C1=C(F)C=C(F)C=C1 3460 [0,2,0,0,0,0|2,0,0]=4 1987 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 13425 [0,2,0,0,0,0|1,0,0]=3 1988 B12R1.1703 O=C(CBr)C1=C(F)C=C(F)C=C1 29133 [0,2,0,0,0,0|1,0,0]=3 1989 B12R1.1703 O=C(CCl)C1=C(Cl)C=C(Cl)C=C1 7499 [0,2,0,0,0,0|1,0,0]=3 1990 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 3267 [0,2,0,0,0,0|1,0,0]=3 1991 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 12166 [0,2,0,0,0,0|1,0,1]=4 1992 B12R1.57 CC1=CC(C#N)=C(C(=O)O)C=C1 30634 [0,2,0,0,0,0|1,0,0]=3 1993 B12R1.57 CC1=CC(C#N)=C([N+](=O)[O-])C=C1 30798 [0,2,0,0,0,0|2,0,0]=4 1994 B12R1.57 CC1=CC(C=O)=C([N+](=O)[O-])C=C1 30958 [0,2,0,0,0,0|2,0,0]=4 1995 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 20561 [0,2,0,0,0,0|2,0,0]=4 1996 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 30703 [0,2,0,0,0,0|1,0,0]=3 1997 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 24655 [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 4969 [0,2,0,0,0,0|2,0,0]=4 1999 B12R1.57 COC1=C(C(=O)O)C=CC(N)=C1 4934 [0,2,0,0,0,0|2,0,0]=4 2000 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 27704 [0,2,0,0,0,0|2,0,0]=4 2001 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 31217 [0,2,0,0,0,0|1,0,0]=3 2002 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 13459 [0,2,0,0,0,0|1,0,0]=3 2003 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 31215 [0,2,0,0,0,0|1,0,0]=3 2004 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] 26673 [0,2,0,0,0,0|2,0,0]=4 2005 B12R1.57 Cc1ccc([N+](=O)[O-])c(CBr)c1 23170 [0,2,0,0,0,0|2,0,0]=4 2006 B12R1.57 N#CC1=C(C(=O)O)C=CC(Br)=C1 30640 [0,2,0,0,0,0|2,0,0]=4 2007 B12R1.57 N#CC1=C(C(=O)O)C=CC(N)=C1 30727 [0,2,0,0,0,0|2,0,0]=4 2008 B12R1.1000 CC(=O)C1=C(C)C=C(C)N=C1C 9575 [0,2,0,0,0,0|1,0,0]=3 2009 B12R1.1000 CC(=O)C1=C(F)C=C(Br)C=C1F 31233 [0,2,0,0,0,0|1,0,0]=3 2010 B12R1.1000 CC(=O)C1=C(F)C=C(Br)C=C1O 29168 [0,2,0,0,0,0|1,0,0]=3 2011 B12R1.1000 CC(=O)C1=C(F)C=C(Cl)C=C1F 29139 [0,2,0,0,0,0|1,0,0]=3 2012 B12R1.1000 CC(=O)C1=C(F)C=C(F)C=C1F 4290 [0,2,0,0,0,0|1,0,0]=3 2013 B12R1.1000 CC(=O)C1=C(O)C=C(C)C=C1O 3379 [0,2,0,0,0,0|0,0,0]=2 2014 B12R1.1000 CC(=O)C1=C(O)C=C(C)OC1=O 9713 [0,2,0,0,0,0|1,0,0]=3 2015 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O 3402 [0,2,0,0,0,0|1,0,0]=3 2016 B12R1.1000 CC1=CC(Br)=CC(C)=C1C(=O)O 25876 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.1000 CC1=CC(Br)=CC(F)=C1C(=O)O 28567 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.1000 CC1=CC(C)=C(C(=O)Cl)C(C)=C1 13234 [0,2,0,0,0,0|1,0,0]=3 2019 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(C)=C1 13263 [0,2,0,0,0,0|1,0,0]=3 2020 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(Cl)=N1 18599 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(N)=N1 14459 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.1000 CC1=CC(C)=C(N(C)C)C(C)=C1 3219 [0,2,0,0,0,0|2,0,0]=4 2023 B12R1.1000 CC1=CC(C)=NC(C)=C1C(=O)O 33322 [0,2,0,0,0,0|2,0,0]=4 2024 B12R1.1000 CC1=CC(Cl)=C([N+](=O)[O-])C(Cl)=C1 31567 [0,2,0,0,0,0|2,0,0]=4 2025 B12R1.1000 CC1=CC(F)=C([N+](=O)[O-])C(F)=C1 14856 [0,2,0,0,0,0|2,0,0]=4 2026 B12R1.1000 CC1=CC(F)=CC(Br)=C1C(=O)O 1363 [0,2,0,0,0,0|2,0,0]=4 2027 B12R1.1000 CC1=CC(F)=CC(C)=C1C(=O)O 4955 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 27604 [0,2,0,0,0,0|1,0,0]=3 2029 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(O)=C1 3124 [0,2,0,0,0,0|1,0,0]=3 2030 B12R1.1000 CC1=CC(O)=CC(C)=C1C(=O)O 18280 [0,2,0,0,0,0|2,0,0]=4 2031 B12R1.1000 CC1=CC(O)=CC(O)=C1C(=O)O 44839 [0,2,0,0,0,0|2,0,0]=4 2032 B12R1.1000 NC1=C(C(=O)O)C(Cl)=CC(Cl)=C1 17204 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.1000 NC1=C(C(=O)O)C(F)=CC(F)=C1 19803 [0,2,0,0,0,0|2,0,0]=4 2034 B12R1.1000 O=C(Cl)C1=C(F)C=C(F)C=C1F 28700 [0,2,0,0,0,0|2,0,0]=4 2035 B12R1.1000 O=C(O)C1=C(Cl)C=C(Br)C=C1Cl 30531 [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1Cl 18496 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1F 17575 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.1000 O=C(O)C1=C(Cl)C=C(F)C=C1F 28585 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1Cl 30532 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1F 2476 [0,2,0,0,0,0|2,0,0]=4 2041 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1F 1347 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1O 11909 [0,2,0,0,0,0|2,0,0]=4 2043 B12R1.1000 O=C(O)C1=C(F)C=C(O)C=C1F 4938 [0,2,0,0,0,0|2,0,0]=4 2044 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O 20337 [0,2,0,0,0,0|2,0,0]=4 2045 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|1,0,1]=4 2046 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|0,0,2]=4 2047 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|0,0,2]=4 2048 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,1]=4 2049 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 7657 [0,0,0,1,0,1|1,0,0]=3 2050 B12R2.606 CC1=CC2=C(C=C1)N=C(C)S2 21826 [0,0,0,1,0,1|0,1,0]=3 2051 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)S2 21875 [0,0,0,1,0,1|1,1,0]=4 2052 B12R2.606 CC1=CC2=C(C=C1)N=C(N)S2 8469 [0,0,0,1,0,1|1,1,0]=4 2053 B12R2.606 CC1=CC2=C(C=C1)N=C(S)N2 7610 [0,0,0,1,0,1|1,1,0]=4 2054 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 21721 [0,0,0,1,0,1|1,0,0]=3 2055 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 8640 [0,0,0,1,0,1|1,0,0]=3 2056 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 17701 [0,0,0,1,0,1|2,0,0]=4 2057 B12R2.606 CC1=CC2=C(C=C1)SC(N)=N2 26064 [0,0,0,1,0,1|2,0,0]=4 2058 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 32466 [0,0,0,1,0,1|2,0,0]=4 2059 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 9382 [0,0,0,1,0,1|2,0,0]=4 2060 B12R2.606 CC1=CC2=CC(Cl)=CC=C2N1 17201 [0,0,0,1,0,1|2,0,0]=4 2061 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 2158 [0,0,0,1,0,1|2,0,0]=4 2062 B12R2.606 CC1=CC2=CC(N)=CC=C2N1 7273 [0,0,0,1,0,1|2,0,0]=4 2063 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 8551 [0,0,0,1,0,1|2,0,0]=4 2064 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 19921 [0,0,0,1,0,1|2,0,0]=4 2065 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 19920 [0,0,0,1,0,1|2,0,0]=4 2066 B12R2.606 CC1=CC2=CC=C(O)C=C2N1 19945 [0,0,0,1,0,1|2,0,0]=4 2067 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 8314 [0,0,0,1,0,1|0,0,0]=2 2068 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 7330 [0,0,0,1,0,1|1,0,0]=3 2069 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)S1 20276 [0,0,0,1,0,1|1,1,0]=4 2070 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)N1 7651 [0,0,0,1,0,1|2,0,0]=4 2071 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 33482 [0,0,0,1,0,1|1,0,1]=4 2072 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)S1 21823 [0,0,0,1,0,1|1,1,0]=4 2073 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 6528 [0,0,0,1,0,1|2,0,0]=4 2074 B12R2.606 CC1=NC2=C(C=C(F)C=C2)S1 21915 [0,0,0,1,0,1|1,1,0]=4 2075 B12R2.606 CC1=NC2=C(C=C(I)C=C2)N1 27312 [0,0,0,1,0,1|2,0,0]=4 2076 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 33480 [0,0,0,1,0,1|2,0,0]=4 2077 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 27581 [0,0,0,1,0,1|1,0,1]=4 2078 B12R2.606 CC1=NC2=C(C=C(N)C=C2)S1 20725 [0,0,0,1,0,1|1,1,0]=4 2079 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 24256 [0,0,0,1,0,1|1,0,1]=4 2080 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 17329 [0,0,0,1,0,1|1,1,0]=4 2081 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 33471 [0,0,0,1,0,1|2,0,0]=4 2082 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)S1 13564 [0,0,0,1,0,1|2,0,0]=4 2083 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 8645 [0,0,0,1,0,1|2,0,0]=4 2084 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)S1 10878 [0,0,0,1,0,1|2,0,0]=4 2085 B12R2.606 CC1=NC2=C(C=CC(F)=C2)S1 21824 [0,0,0,1,0,1|2,0,0]=4 2086 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 33731 [0,0,0,1,0,1|2,0,0]=4 2087 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 21730 [0,0,0,1,0,1|2,0,0]=4 2088 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 7209 [0,0,0,1,0,1|1,0,0]=3 2089 B12R2.606 Nc1ccc2nc(=O)nc2c1 7162 [0,0,0,1,0,1|2,0,0]=4 2090 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 7169 [0,0,0,1,0,1|1,0,0]=3 2091 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 15490 [0,0,0,1,0,1|2,0,0]=4 2092 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 1673 [0,0,0,1,0,1|1,0,0]=3 2093 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 15989 [0,0,0,1,0,1|2,0,0]=4 2094 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 1687 [0,0,0,1,0,1|1,0,0]=3 2095 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [0,0,0,1,0,1|1,0,0]=3 2096 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 18044 [0,0,0,1,0,1|1,0,0]=3 2097 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 7320 [0,0,0,1,0,1|2,0,0]=4 2098 B12R2.606 O=C1CC2=CC=C(Cl)C=C2C1 18039 [0,0,0,1,0,1|1,0,0]=3 2099 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 1674 [0,0,0,1,0,1|2,0,0]=4 2100 B12R2.606 O=C1CC2=CC=C(F)C=C2C1 18032 [0,0,0,1,0,1|1,0,0]=3 2101 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 1688 [0,0,0,1,0,1|2,0,0]=4 2102 B12R2.606 O=C1CC2=CC=C(I)C=C2C1 18087 [0,0,0,1,0,1|1,0,0]=3 2103 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 21893 [0,0,0,1,0,1|2,0,0]=4 2104 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 21839 [0,0,0,1,0,1|2,0,0]=4 2105 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)O1 8644 [0,0,0,1,0,1|2,0,0]=4 2106 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 21837 [0,0,0,1,0,1|2,0,0]=4 2107 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 21892 [0,0,0,1,0,1|2,0,0]=4 2108 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 21841 [0,0,0,1,0,1|2,0,0]=4 2109 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 8642 [0,0,0,1,0,1|2,0,0]=4 2110 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 13573 [0,0,0,1,0,1|2,0,0]=4 2111 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 15342 [0,0,0,1,0,1|2,0,0]=4 2112 B12R2.1384 O=C(O)C1=CC2=C(C=C1)C=C2 25599 [0,1,0,1,0,0|1,0,1]=4 2113 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,1,0,1,0,0|0,0,0]=2 2114 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 32472 [0,1,0,1,0,0|1,0,1]=4 2115 B12R2.612 CC1=CSC2=C1C=CC(Br)=C2 32447 [0,1,0,1,0,0|1,1,0]=4 2116 B12R2.612 CC1=CSC2=C1C=CC(Cl)=C2 33021 [0,1,0,1,0,0|1,1,0]=4 2117 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 28047 [0,1,0,1,0,0|2,0,0]=4 2118 B12R2.612 CC1=NNC2=CC(Cl)=CC=C21 32530 [0,1,0,1,0,0|2,0,0]=4 2119 B12R2.612 CC1=NNC2=CC(F)=CC=C21 20302 [0,1,0,1,0,0|2,0,0]=4 2120 B12R2.612 CC1=NNC2=CC(I)=CC=C21 32529 [0,1,0,1,0,0|2,0,0]=4 2121 B12R2.612 CC1=NNC2=CC(N)=CC=C21 15631 [0,1,0,1,0,0|2,0,0]=4 2122 B12R2.612 CC1=NNC2=CC(O)=CC=C21 18073 [0,1,0,1,0,0|2,0,0]=4 2123 B12R2.612 CC1=NOC2=C1C=CC(Br)=C2 24259 [0,1,0,1,0,0|1,0,1]=4 2124 B12R2.612 CC1=NOC2=C1C=CC(Cl)=C2 26079 [0,1,0,1,0,0|1,0,1]=4 2125 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [0,1,0,1,0,0|1,0,0]=3 2126 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 25145 [0,1,0,1,0,0|1,0,0]=3 2127 B12R2.612 NC1=CC=C2C(=O)OCC2=C1 25214 [0,1,0,1,0,0|1,0,0]=3 2128 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [0,1,0,1,0,0|1,0,0]=3 2129 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [0,1,0,1,0,0|1,0,0]=3 2130 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [0,1,0,1,0,0|1,0,0]=3 2131 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [0,1,0,1,0,0|1,0,0]=3 2132 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [0,1,0,1,0,0|1,0,0]=3 2133 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 17998 [0,1,0,1,0,0|1,0,0]=3 2134 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 17996 [0,1,0,1,0,0|1,0,0]=3 2135 B12R2.612 O=C1COC2=C1C=CC(I)=C2 22336 [0,1,0,1,0,0|1,0,0]=3 2136 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [0,1,0,1,0,0|1,0,0]=3 2137 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 35478 [0,1,0,1,0,0|1,0,0]=3 2138 B12R2.612 O=C1NCC2=CC(F)=CC=C12 31701 [0,1,0,1,0,0|1,0,0]=3 2139 B12R2.612 O=C1NCc2cc(O)ccc21 31625 [0,1,0,1,0,0|1,0,0]=3 2140 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 20699 [0,1,0,1,0,0|1,0,0]=3 2141 B8R1.1 CC1=CC(C=O)=CS1 34688 [1,0,0,0,1,0|1,0,0]=3 2142 B8R1.1 CC1=CC(C=O)=NO1 11024 [1,0,0,0,1,0|2,0,0]=4 2143 B8R1.1 CC1=CC=C(C=O)O1 9971 [1,0,0,0,1,0|1,0,0]=3 2144 B8R1.1 CC1=CC=C(C=O)S1 5205 [1,0,0,0,1,0|1,0,0]=3 2145 B8R1.1 CC1=CSC(C=O)=N1 15253 [1,0,0,0,1,0|2,0,0]=4 2146 B8R1.1 CC1=NC(C=O)=CS1 15112 [1,0,0,0,1,0|2,0,0]=4 2147 B8R1.1 CC1=NNC(C=O)=C1 24109 [1,0,0,0,1,0|2,0,0]=4 2148 B8R1.1 CN1C=C(C=O)C=N1 34544 [1,0,0,0,1,0|2,0,0]=4 2149 B8R1.1 O=CC1=CC(Br)=CO1 3545 [1,0,0,0,1,0|2,0,0]=4 2150 B8R1.1 O=CC1=CC(Br)=CS1 5188 [1,0,0,0,1,0|2,0,0]=4 2151 B8R1.1 O=CC1=CC=C(Br)O1 27066 [1,0,0,0,1,0|2,0,0]=4 2152 B8R1.1 O=CC1=CC=C(Br)S1 10834 [1,0,0,0,1,0|2,0,0]=4 2153 B8R1.1 O=CC1=CC=C(Br)S1 16744 [1,0,0,0,1,0|2,0,0]=4 2154 B8R1.1 O=CC1=CC=C(Cl)S1 7742 [1,0,0,0,1,0|2,0,0]=4 2155 B8R1.1 O=CC1=CSC(Br)=C1 20351 [1,0,0,0,1,0|2,0,0]=4 2156 B8R1.7 CC(=O)C1=CC=CN1 20915 [1,0,0,0,1,0|1,0,0]=3 2157 B8R1.7 CC(=O)C1=CC=CO1 6939 [1,0,0,0,1,0|1,0,0]=3 2158 B8R1.7 CC(=O)C1=CC=CS1 5172 [1,0,0,0,1,0|1,0,0]=3 2159 B8R1.7 CC(=O)C1=CNC=C1 22508 [1,0,0,0,1,0|1,0,0]=3 2160 B8R1.7 CC(=O)C1=CNC=N1 12484 [1,0,0,0,1,0|2,0,0]=4 2161 B8R1.7 CC(=O)C1=CNN=C1 30409 [1,0,0,0,1,0|2,0,0]=4 2162 B8R1.7 CC(=O)C1=CSC=C1 5220 [1,0,0,0,1,0|1,0,0]=3 2163 B8R1.7 CC(=O)C1=NC=CO1 23008 [1,0,0,0,1,0|2,0,0]=4 2164 B8R1.7 CC(=O)C1=NC=CS1 9940 [1,0,0,0,1,0|2,0,0]=4 2165 B8R1.7 CC(=O)N1C=CC=N1 13397 [1,0,0,0,1,0|2,0,0]=4 2166 B8R1.7 CC(=O)N1C=CN=C1 25826 [1,0,0,0,1,0|2,0,0]=4 2167 B8R1.7 CC(C)=C1C=CC=C1 35011 [1,0,0,0,1,0|1,0,0]=3 2168 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [1,0,0,0,1,0|2,0,0]=4 2169 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [1,0,0,0,1,0|2,0,0]=4 2170 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [1,0,0,0,1,0|2,0,0]=4 2171 B8R1.7 O=C(O)C1=CC=CN1 15698 [1,0,0,0,1,0|2,0,0]=4 2172 B8R1.7 O=C(O)C1=CC=CO1 6946 [1,0,0,0,1,0|2,0,0]=4 2173 B8R1.7 O=C(O)C1=CC=CS1 5157 [1,0,0,0,1,0|2,0,0]=4 2174 B8R1.7 O=C(O)C1=CNC=C1 8345 [1,0,0,0,1,0|2,0,0]=4 2175 B8R1.7 O=C(O)C1=COC=C1 6945 [1,0,0,0,1,0|2,0,0]=4 2176 B8R1.7 O=C(O)C1=CSC=C1 7735 [1,0,0,0,1,0|2,0,0]=4 2177 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [1,0,0,0,1,0|1,0,1]=4 2178 B8R1.7 O=C([O-])C1=CC=CS1 32366 [1,0,0,0,1,0|2,0,0]=4 2179 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [1,0,0,0,0,1|1,0,0]=3 2180 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [1,0,0,0,0,1|1,0,0]=3 2181 B10R1.18 CC(=O)NC1=CN=CN=C1 25070 [1,0,0,0,0,1|2,0,0]=4 2182 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,0,0,0,0,1|0,0,0]=2 2183 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,0,0,0,0,1|1,0,1]=4 2184 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,0,0,0,0,1|0,0,2]=4 2185 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,0,0,0,0,1|1,1,0]=4 2186 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,0,0,0,0,1|1,0,0]=3 2187 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [1,0,0,0,0,1|2,0,0]=4 2188 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [1,0,0,0,0,1|2,0,0]=4 2189 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [1,0,0,0,0,1|2,0,0]=4 2190 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,0,0,0,0,1|1,0,0]=3 2191 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,0,0,0,0,1|2,0,0]=4 2192 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,0,0,0,0,1|1,0,1]=4 2193 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [0,0,0,0,0,2|1,0,0]=3 2194 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [0,0,0,0,0,2|1,0,0]=3 2195 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [0,0,0,0,0,2|1,0,0]=3 2196 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [0,0,0,0,0,2|2,0,0]=4 2197 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [0,0,0,0,0,2|2,0,0]=4 2198 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [0,0,0,0,0,2|2,0,0]=4 2199 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [0,0,0,0,0,2|2,0,0]=4 2200 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [0,0,0,0,0,2|2,0,0]=4 2201 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [0,0,0,0,0,2|2,0,0]=4 2202 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [0,0,0,0,0,2|2,0,0]=4 2203 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [0,0,0,0,0,2|2,0,0]=4 2204 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [0,0,0,0,0,2|2,0,0]=4