0 B9R1.41 CC(=O)C1=C(Br)C=CS1 7280 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.41 CC(=O)C1=C(C)C=CS1 5186 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.41 CC(=O)C1=C(C)N=CS1 33350 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.41 CC(=O)C1=C(I)C=CS1 34469 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.41 CC(=O)C1=C(N)C=CS1 20830 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.41 CC(=O)C1=CC=CN1C 27052 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.41 CC(=O)C1=CC=NN1C 22711 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.41 CC(=O)C1=CNC=C1C 22818 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.41 CC(=O)N1CC=CC1=O 18628 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.41 CC1=C(C(=O)Cl)SC=C1 5561 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.41 CC1=C(C(=O)O)C=NO1 8652 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.41 CC1=C(C(=O)O)SC=C1 5182 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.41 CC1=C(C(=O)O)SC=N1 8416 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.41 CC1=C(C(N)=O)SC=C1 16135 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.41 CC1=CNN=C1C(=O)O 19201 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.41 CC1=CSC=C1C(=O)O 24253 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.41 CC1=NOC=C1C(=O)O 10465 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.41 CC1=NSC=C1C(=O)O 24648 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.41 CN1C=CC=C1B(O)O 23534 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.41 CN1C=CC=C1C(=O)O 9181 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.41 CN1C=CN=C1C(=O)O 8048 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.41 CN1C=CN=C1[N+](=O)[O-] 23736 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.41 CN1C=NC=C1C(=O)O 20954 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.41 CN1N=CC=C1B(O)O 29495 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.41 CN1N=CC=C1C(=O)O 16306 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.41 CN1N=NC=C1C(=O)O 34499 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.41 NC(=O)C1=C(Br)C=CS1 16136 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.41 NC(=O)C1=C(N)C=CS1 5242 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.41 NC(=O)C1=CC=CN1N 22288 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 5480 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.41 O=C(O)C1=C(Br)C=CS1 10096 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.41 O=C(O)C1=C(Br)SC=C1 32434 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.41 O=C(O)C1=C(Cl)C=CS1 5491 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.41 O=C(O)C1=C(Cl)SC=C1 32436 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.41 O=C(O)C1=CSC=C1Br 33364 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.7 CC(=O)C1=CC=CN1 20915 [1,0,0,0,0,0|0,0,0]=1 36 B8R1.7 CC(=O)C1=CC=CO1 6939 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.7 CC(=O)C1=CC=CS1 5172 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.7 CC(=O)C1=CNC=C1 22508 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.7 CC(=O)C1=CNC=N1 12484 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.7 CC(=O)C1=CNN=C1 30409 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 CC(=O)C1=CSC=C1 5220 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 CC(=O)C1=NC=CO1 23008 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.7 CC(=O)C1=NC=CS1 9940 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.7 CC(=O)N1C=CC=N1 13397 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.7 CC(=O)N1C=CN=C1 25826 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 CC(C)=C1C=CC=C1 35011 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 CC(C)C1=NC=CN1 15977 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.7 NC(=O)C1=NNC=C1 14330 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.7 NC(=S)C1=CC=CS1 32072 [1,0,0,0,0,0|2,1,0]=4 50 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.7 O=C(O)C1=CC=CN1 15698 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.7 O=C(O)C1=CC=CO1 6946 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 O=C(O)C1=CC=CS1 5157 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 O=C(O)C1=CC=NN1 12935 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)C1=CC=NN1 35926 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 O=C(O)C1=CC=NO1 8643 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.7 O=C(O)C1=CC=NS1 30427 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 O=C(O)C1=CN=CN1 9003 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 O=C(O)C1=CN=CS1 14533 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.7 O=C(O)C1=CNC=C1 8345 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 O=C(O)C1=COC=C1 6945 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 O=C(O)C1=COC=N1 11025 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.7 O=C(O)C1=CSC=C1 7735 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.7 O=C(O)C1=CSC=N1 35764 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.7 O=C(O)C1=NC=CN1 25373 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.7 O=C(O)C1=NC=CS1 16257 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.7 O=C(O)C1=NOC=C1 12341 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.7 O=C(O)C1=NSC=C1 22100 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.7 O=C(O)[C@@H]1C=CCN1 13924 [1,0,0,0,0,0|1,0,2]=4 73 B8R1.7 O=C([O-])C1=CC=CS1 32366 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.7 O=[N+]([O-])C1=CC=CS1 5570 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.7 O=[N+]([O-])C1=CC=NN1 8639 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.7 O=[N+]([O-])C1=NC=CN1 7616 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.11 CC1=C(C=O)N=CN1 23016 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.11 CC1=C(C=O)SC=C1 5183 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.11 CC1=C(C=O)SC=C1 9495 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.11 CC1=C(C=O)SC=N1 8419 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.11 CC1=C(C=O)SC=N1 9927 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.11 CC1=NNC=C1C=O 16065 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.11 CN1C=CC=C1C=O 9617 [1,0,0,0,0,0|0,0,0]=1 84 B8R1.11 CN1C=CN=C1C#N 23737 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.11 CN1C=CN=C1C=O 7614 [1,0,0,0,0,0|1,0,0]=2 86 B8R1.11 CN1C=CN=C1CO 9047 [1,0,0,0,0,0|1,0,2]=4 87 B8R1.11 CN1C=NC=C1C=O 8047 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.11 CN1C=NC=C1CO 8983 [1,0,0,0,0,0|1,0,2]=4 89 B8R1.11 CN1N=CC=C1C=O 16289 [1,0,0,0,0,0|1,0,0]=2 90 B8R1.11 CN1N=CN=C1C=O 22624 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.11 CSC1=NC=CN1C 31662 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.11 N#CC1=CC=CN1N 17833 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.11 O=CC1=C(Br)C=CO1 7803 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.11 O=CC1=C(Br)C=CS1 5327 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.11 O=CC1=C(Br)SC=C1 27355 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.11 O=CC1=C(Cl)C=CS1 21836 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.11 O=CC1=C(Cl)SC=C1 33642 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.11 O=CC1=C(I)SC=C1 34866 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.11 O=CC1=CSC=C1Br 32438 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 33351 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 9941 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 24350 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.59 CC(=O)C1=C(C)NC(=O)N1 24985 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 6964 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 5517 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 10101 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 6936 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 23985 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 7839 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.65 CN1C=CN=C1S(=O)(=O)Cl 35366 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.65 CN1C=NC=C1[Si](C)(C)C 9595 [0,1,0,0,0,0|2,1,0]=4 112 B10R1.149 COC(=O)C1=C(Br)C=CS1 33825 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.149 COC(=O)C1=C(C)C=CS1 10098 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.149 COC(=O)C1=C(C)N=CS1 9931 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.149 COC(=O)C1=C(C)SC=C1 15770 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.149 COC(=O)C1=C(Cl)C=CS1 9775 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.149 COC(=O)C1=C(F)C=CS1 15241 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.149 COC(=O)C1=C(I)C=CS1 33549 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.149 COC(=O)C1=C(N)C=CS1 7304 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.149 COC(=O)C1=C(N)SC=C1 5551 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.149 COC(=O)C1=C(O)C=CS1 7744 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.149 COC(=O)C1=CC=CN1C 12438 [0,1,0,0,0,0|0,0,0]=1 123 B10R1.149 COC(=O)C1=CC=NN1N 14868 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.149 COC(=O)C1=CN=CN1C 9004 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.149 COC(=O)C1=CN=NN1C 19255 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.149 COC(=O)C1=NC=CN1C 23746 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.192 CC(=O)C1=C(C)NC=C1C 11100 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.192 CC1=CNC(C)=C1C(=O)O 23983 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.192 CN1N=CC(Br)=C1C(=O)O 19973 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.194 CC(=O)C1=CNC(Br)=C1C 22819 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.194 CC1=C(C(=O)Cl)SC=C1Br 5266 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.194 CC1=C(C(=O)O)SC=C1Br 5272 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.194 CC1=NC=C([N+](=O)[O-])N1C 21333 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.194 CN1C(Br)=CC=C1C(=O)O 35544 [0,1,0,0,0,0|1,0,0]=2 135 B10R2.32 O=C1CCC2=C1C=CS2 18363 [0,0,0,1,0,0|2,0,0]=3 136 B10R2.32 O=C1CCC2=C1SC=C2 18321 [0,0,0,1,0,0|2,0,0]=3 137 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [0,0,0,0,0,1|2,0,0]=3 138 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [0,0,0,0,0,1|1,0,0]=2 139 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [0,0,0,0,0,1|2,0,0]=3 142 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [0,0,0,0,0,1|2,0,0]=3 143 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [0,0,0,0,0,1|2,0,0]=3 144 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [0,0,0,0,0,1|2,0,0]=3 145 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [0,0,0,0,0,1|2,0,0]=3 147 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [0,0,0,0,0,1|2,0,0]=3 148 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [0,0,0,0,0,1|2,0,0]=3 149 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [0,0,0,0,0,1|2,0,0]=3 150 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [0,0,0,0,0,1|2,0,0]=3 151 B10R1.61 CC(=O)C1=NC=CN=C1C 8616 [0,0,0,0,0,1|2,0,0]=3 152 B10R1.61 CC(=O)C1=NC=CN=C1N 33762 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [0,0,0,0,0,1|2,0,0]=3 155 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [0,0,0,0,0,1|2,0,0]=3 156 B10R1.61 CC1=C(C(O)=S)C=CC=C1 10795 [0,0,0,0,0,1|2,0,1]=4 157 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 6642 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 6644 [0,0,0,0,0,1|3,0,0]=4 159 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] 6641 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.61 CC1=NC=CC=C1C(N)=O 22966 [0,0,0,0,0,1|2,0,0]=3 165 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] 6643 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 22133 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.61 NC(=O)C1=C(F)C=NC=C1 15252 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.61 NC(=O)C1=C(N)C=CN=C1 3187 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.61 NC(=O)C1=CC=CN=C1N 14977 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.61 NC(=O)C1=NC=CC=C1N 16893 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.61 NC(=O)c1cccnc1Br 10860 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 2599 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [0,0,0,0,0,1|3,0,0]=4 190 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [0,0,0,0,0,1|3,0,0]=4 193 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [0,0,0,0,0,1|3,0,0]=4 200 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [0,0,0,0,0,1|3,0,0]=4 201 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [0,0,0,0,0,1|3,0,0]=4 203 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [0,0,0,0,0,1|3,0,0]=4 210 B10R1.64 CN1C=CC=C1CC(=O)O 15041 [0,0,0,0,0,1|1,0,0]=2 211 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [0,0,0,0,0,1|2,0,0]=3 212 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [0,0,0,0,0,1|1,0,0]=2 214 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [0,0,0,0,0,1|2,0,0]=3 219 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [0,0,0,0,0,1|2,0,0]=3 222 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [0,0,0,0,0,1|2,0,0]=3 223 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [0,0,0,0,0,1|1,0,0]=2 225 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [0,0,0,0,0,1|3,0,0]=4 227 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 14338 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [0,0,0,0,0,1|2,0,0]=3 229 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [0,0,0,0,0,1|3,0,0]=4 230 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.113 CC1=CC=CC(C(O)=S)=C1 28685 [0,0,0,0,0,1|2,0,1]=4 234 B10R1.113 CC1=NC(C(=O)O)=CN=C1 29069 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.113 CC1=NC=CC(C(=O)O)=N1 25613 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [0,0,0,0,0,1|3,0,0]=4 256 B7R0.4 CCC\C=C\C(C)=O 18920 [1,0,1,0,0,0|0,0,2]=4 257 B7R0.4 C\C=C\C=C\C(=O)[O-] 26113 [1,0,1,0,0,0|1,0,0]=3 258 B7R1.1 CCC1=CC=CS1 5536 [2,0,0,0,0,0|1,0,1]=4 259 B7R1.1 CCC1=NC=CN1 15972 [2,0,0,0,0,0|1,0,1]=4 260 B7R1.1 CNC1=CC=NN1 7850 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.1 COC1=CC=CO1 19998 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.1 COC1=CC=CS1 12545 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.1 O=CC1=CC=CN1 28928 [2,0,0,0,0,0|0,0,0]=2 264 B7R1.1 O=CC1=CC=CN1 9140 [2,0,0,0,0,0|0,0,0]=2 265 B7R1.1 O=CC1=CC=CO1 24739 [2,0,0,0,0,0|1,0,0]=3 266 B7R1.1 O=CC1=CC=CS1 5153 [2,0,0,0,0,0|1,0,0]=3 267 B7R1.1 O=CC1=CN=CS1 14219 [2,0,0,0,0,0|2,0,0]=4 268 B7R1.1 O=CC1=CNC=C1 18051 [2,0,0,0,0,0|2,0,0]=4 269 B7R1.1 O=CC1=CNC=N1 8980 [2,0,0,0,0,0|1,0,1]=4 270 B7R1.1 O=CC1=COC=C1 6948 [2,0,0,0,0,0|2,0,0]=4 271 B7R1.1 O=CC1=CSC=C1 5176 [2,0,0,0,0,0|2,0,0]=4 272 B7R1.1 O=CC1=CSC=N1 13812 [2,0,0,0,0,0|1,0,1]=4 273 B7R1.1 O=CC1=NC=CN1 8045 [2,0,0,0,0,0|1,0,0]=3 274 B7R1.1 O=CC1=NC=CO1 17600 [2,0,0,0,0,0|1,0,1]=4 275 B7R1.1 O=CC1=NC=CS1 9929 [2,0,0,0,0,0|1,0,1]=4 276 B7R1.1 O=CC1=NNC=C1 14337 [2,0,0,0,0,0|1,0,1]=4 277 B7R1.1 O=CC1=NOC=C1 14352 [2,0,0,0,0,0|1,0,1]=4 278 B7R1.1 O=C[C-]1C=CC=C1 18830 [2,0,0,0,0,0|1,0,1]=4 279 B7R1.4 CC1=C(C)SC=C1 7751 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.4 CC1=CC=NN1C 9121 [2,0,0,0,0,0|1,0,0]=3 281 B7R1.4 CC1=COC=C1C 15014 [2,0,0,0,0,0|2,0,0]=4 282 B7R1.4 CC1=NC=CN1C 15975 [2,0,0,0,0,0|1,0,0]=3 283 B7R1.4 CN1C=CN=C1Br 7594 [2,0,0,0,0,0|2,0,0]=4 284 B7R1.4 CN1C=CN=C1Cl 7596 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.4 CN1C=CN=C1I 16310 [2,0,0,0,0,0|2,0,0]=4 286 B7R1.4 CN1C=CN=C1N 23735 [2,0,0,0,0,0|2,0,0]=4 287 B7R1.4 CN1C=NC=C1Br 8951 [2,0,0,0,0,0|2,0,0]=4 288 B7R1.4 CN1C=NC=C1Cl 7612 [2,0,0,0,0,0|2,0,0]=4 289 B7R1.4 CN1C=NC=C1I 8949 [2,0,0,0,0,0|2,0,0]=4 290 B7R1.4 CN1N=CC=C1Br 23726 [2,0,0,0,0,0|2,0,0]=4 291 B7R1.4 CN1N=CC=C1N 9123 [2,0,0,0,0,0|2,0,0]=4 292 B9R0.2 C\C=C\C=C\COC(C)=O 13748 [0,1,1,0,0,0|1,0,1]=4 293 B9R0.48 CCOC(=O)\C=C\C(C)=O 18129 [0,1,1,0,0,0|2,0,0]=4 294 B9R1.11 CCC(=O)C1=CC=CS1 12618 [1,1,0,0,0,0|1,0,0]=3 295 B9R1.11 CNC(C)C1=CC=CN1 16635 [1,1,0,0,0,0|1,0,1]=4 296 B9R1.11 COC(=O)C1=CC=CN1 9141 [1,1,0,0,0,0|0,0,0]=2 297 B9R1.11 COC(=O)C1=CC=CO1 7090 [1,1,0,0,0,0|1,0,0]=3 298 B9R1.11 COC(=O)C1=CC=CS1 19955 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.11 COC(=O)C1=CN=CS1 17249 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.11 COC(=O)C1=CNC=C1 22507 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.11 COC(=O)C1=CNC=N1 16142 [1,1,0,0,0,0|1,0,1]=4 302 B9R1.11 COC(=O)C1=CSC=N1 15784 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.11 COC(=O)C1=NC=CN1 23680 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.11 COC(=O)C1=NN=CN1 26175 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.11 COC(=O)C1=NNC=C1 14332 [1,1,0,0,0,0|1,0,1]=4 306 B9R1.11 NNC(=O)C1=CC=CO1 32208 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.11 NNC(=O)C1=CC=CS1 5213 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.11 O=C(CBr)C1=CC=CS1 10129 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [1,1,0,0,0,0|1,0,0]=3 310 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [1,1,0,0,0,0|1,0,0]=3 315 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [1,1,0,0,0,0|1,0,0]=3 319 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.35 CC1=NNC(C(=O)O)=C1 7842 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.14 CCN1C=CN=C1C=O 24824 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.14 COC1=C(C=O)OC=C1 31930 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.14 COC1=C(C=O)SC=C1 35392 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.22 CC1=CC(C)=C(C=O)N1 2127 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.22 CC1=NN(C)C(C=O)=C1 27254 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.27 CN1C=NC(Br)=C1C=O 8050 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.27 CN1C=NC(I)=C1C=O 8953 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.132 CC1=NC=C(C=O)N1C 35311 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 19789 [0,1,0,0,0,1|1,0,1]=4 337 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 9869 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.53 CCC1=NC=CN=C1C(C)=O 8615 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.53 COC1=C(C(=O)O)C=CC=C1 18488 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.53 COC1=C(C(=O)O)C=CC=N1 20354 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.53 COC1=C(C(=O)O)C=CN=C1 10457 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.53 COC1=C(C(C)=O)C=CC=C1 4278 [0,1,0,0,0,1|1,0,0]=3 343 B11R1.53 COC1=C(C(C)=O)C=NC=C1 33637 [0,1,0,0,0,1|1,0,0]=3 344 B11R1.53 COC1=CC=CC=C1C(=O)Cl 26362 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.53 COC1=CC=NC=C1C(=O)O 33397 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.53 COC1=NC=CC=C1C(C)=O 27866 [0,1,0,0,0,1|1,0,0]=3 347 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 10324 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.53 O=C(O)c1ccccc1CBr 23937 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.87 CC1=CC=CN=C1S(C)(=O)=O 6577 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.156 CC(=O)C1=C(Br)C=CC=C1Cl 31211 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.156 CC(=O)C1=C(Br)C=CC=C1F 31193 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O 24613 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.156 CC(=O)C1=C(C)C=CC=C1C 31230 [0,1,0,0,0,1|1,0,0]=3 354 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1Cl 12362 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F 7110 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O 31212 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl 34826 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.156 CC(=O)C1=C(F)C=CC=C1C 31223 [0,1,0,0,0,1|1,0,0]=3 359 B11R1.156 CC(=O)C1=C(F)C=CC=C1F 4218 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.156 CC(=O)C1=C(O)C=CC=C1C 31224 [0,1,0,0,0,1|1,0,0]=3 361 B11R1.156 CC(=O)C1=C(O)C=CC=C1O 3378 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.156 CC(=O)c1c(O)cccc1F 28251 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 23850 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.156 CC1=C(C(=O)O)C(N)=NC=C1 9317 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.156 CC1=CC=CC(Br)=C1C(=O)O 4715 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.156 CC1=CC=CC(C)=C1C(=O)O 4951 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O 4568 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.156 CC1=CC=CC(F)=C1C(=O)Cl 28655 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.156 CC1=CC=CC(F)=C1C(=O)O 1331 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.156 CC1=CC=CC(F)=C1C(N)=O 31753 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.156 CC1=CC=CC(N)=C1C(=O)O 4957 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.156 CC1=CC=CC(O)=C1C(=O)O 19633 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.156 CC1=CC=NC(Cl)=C1C(N)=O 17640 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.156 CC1=CN=CC(C)=C1C(=O)O 35791 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.159 CC(=O)C1=C(C)C(Br)=CC=C1 31204 [0,1,0,0,0,1|1,0,0]=3 376 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 19771 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.159 CC(=O)C1=C(Cl)C(Br)=CC=C1 31198 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.159 CC(=O)C1=C(Cl)C(Cl)=CC=C1 3368 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 31183 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 4095 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.159 CC(=O)C1=C(F)C(C)=CC=C1 31221 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.159 CC(=O)C1=C(F)C(Cl)=CC=C1 29140 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 4211 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.159 CC(=O)C1=C(F)C(O)=CC=C1 33429 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 29253 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.159 CC(=O)C1=C(N)C(Cl)=CC=C1 29249 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.159 CC(=O)C1=C(N)C(Cl)=NC=C1 19574 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.159 CC(=O)C1=C(N)C(Cl)=NC=C1 9604 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.159 CC(=O)C1=C(N)C(F)=CC=C1 34667 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 35768 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 29262 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.159 CC(=O)C1=C(O)C(Cl)=CC=C1 31195 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.159 CC(=O)C1=C(O)C(F)=CC=C1 19786 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 3281 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 33767 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.159 CC(=O)c1cccc(N)c1O 10346 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br 4717 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 8362 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.159 CC1=C(C(=O)O)C=CC=C1F 1329 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.159 CC1=C(C(=O)O)C=CC=C1I 22968 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.159 CC1=C(C(=O)O)C=CC=C1N 10921 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.159 CC1=C(C(=O)O)C=CC=C1O 15694 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.159 CC1=C(Cl)C=CN=C1C(=O)O 33666 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C 28637 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.159 CC1=CC=CC(C(=O)O)=C1C 2549 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.159 O=C(O)C1=CC=CC(=O)N1O 35541 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.166 CC(=O)C1=C(Br)C=C(Br)C=C1 29275 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 29258 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 8533 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 28228 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 29261 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.166 CC(=O)C1=C(C)C=C(Br)C=C1 31226 [0,1,0,0,0,1|1,0,0]=3 413 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 3376 [0,1,0,0,0,1|1,0,0]=3 414 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29273 [0,1,0,0,0,1|1,0,0]=3 415 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 24792 [0,1,0,0,0,1|1,0,0]=3 416 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 3265 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 13619 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 4187 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 28238 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 29270 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 24789 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 4207 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 4213 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 24419 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 36301 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 27374 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 19929 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 16935 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 29061 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 13252 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 28229 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 3375 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.166 CC(=O)C1=CC=C(F)N=C1F 18362 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.166 CC(=O)C1=CN=C(N)N=C1C 13333 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.166 CC(=O)C1=NC=C(F)C=C1F 24328 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 4029 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 4570 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 33689 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 1327 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 10626 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 10924 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=C1 35774 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 15441 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 5702 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 23873 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 3214 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 29260 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 10586 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 4193 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 16430 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 4237 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 8394 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 29131 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 29152 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 15742 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 15829 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 26324 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 33711 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 3913 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 16936 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 3353 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 3356 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 17597 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 3377 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F 30415 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl 27246 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.167 CC1=C(C(=O)Cl)C=C(F)C=C1 31959 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 4728 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 4578 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 1326 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 4520 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 4980 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 25813 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 26344 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 28638 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.167 CC1=CC=C(Cl)N=C1C(=O)O 26729 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 19917 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 15000 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 3956 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 17290 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.222 COC(=O)C1=C(C)N=CC=C1 2218 [0,1,0,0,0,1|1,0,0]=3 483 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 3707 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 15917 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.222 COC(=O)C1=C(F)C=CC=C1 3565 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.222 COC(=O)C1=C(F)N=CC=C1 10628 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.222 COC(=O)C1=C(I)C=CC=C1 10568 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.222 COC(=O)C1=C(N)C=NC=C1 9599 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.222 COC(=O)C1=C(N)C=NC=C1 9760 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.222 COC(=O)C1=C(N)N=CC=C1 16778 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.222 COC(=O)C1=CC=CC=C1C 15492 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.222 COC(=O)C1=CC=CC=C1N 13629 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.222 COC(=O)C1=CC=CC=C1S 10565 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.222 COC(=O)C1=CC=CN=C1Br 14383 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.222 COC(=O)C1=CC=CNC1=O 19579 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.222 COC(=O)C1=CN=CC=C1C 21351 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.222 COC(=O)C1=CN=CC=C1N 25347 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.222 COC(=O)C1=NC=CC=C1Cl 32244 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.222 COC(=O)C1=NC=CC=C1O 25563 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.222 NC1=C(C(=O)CBr)C=CC=C1 29244 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 29248 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 29130 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 16835 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.222 O=C(CBr)c1ccccc1Cl 11080 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.89 CN1C=CN=C1C(N)C(=O)O 9265 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.228 COC(=O)CC1=CC=CN1C 20390 [0,1,0,0,0,1|0,0,0]=2 507 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 4100 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 29246 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 29265 [0,1,0,0,0,1|1,0,0]=3 512 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [0,1,0,0,0,1|1,0,0]=3 513 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 19762 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 15346 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 25810 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 3089 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 24416 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 3492 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 7322 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 3384 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 28245 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 3804 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 28594 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 30641 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 25412 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 35120 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 19020 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 3083 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 28263 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 25952 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 14198 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 3961 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 36244 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.23 COC(=O)C1=CC(F)=CC=C1 25450 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.23 COC(=O)C1=CC(I)=CC=C1 28675 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.23 COC(=O)C1=CC(N)=CC=C1 16709 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.23 COC(=O)C1=CC(O)=CC=C1 12550 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.23 COC(=O)C1=CC(S)=CC=C1 20230 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.23 COC(=O)C1=CC=CC(C)=C1 15491 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.23 COC(=O)C1=CCCN(C)C1 36060 [0,1,0,0,0,1|0,0,2]=4 558 B11R1.23 COC(=O)C1=CN=CC(C)=C1 27511 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 7573 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.23 COC(=O)C1=NC(C)=CC=C1 20955 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.23 COC(=O)C1=NC(C)=CN=C1 32142 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 13587 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.23 COC(=O)C1=NC(F)=CC=C1 13582 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.23 COC(=O)C1=NC(I)=CC=C1 9291 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.23 COC(=O)C1=NC(N)=CC=C1 18281 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.23 NCC(=O)c1cccc(Br)c1 31219 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 29255 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 29257 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 13417 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 16446 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 3370 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.23 O=C(CCl)C1=CC(O)=CC=C1 16445 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 3388 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.74 CC(=O)C1=CC(Br)=CC(C)=C1 31218 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 22227 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 24402 [0,1,0,0,0,1|1,0,0]=3 577 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 3389 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 2179 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 7457 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.74 CC(=O)C1=CC(N)=CC(N)=C1 7489 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 3390 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.74 CC(=O)c1cc(Cl)cc(Br)c1 23803 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.74 CC(=O)c1cc(F)cc(Cl)c1 28236 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 30472 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 1396 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 18175 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 15465 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 15440 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 4979 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 31237 [0,1,0,0,0,1|1,0,1]=4 591 B11R1.266 CC(=O)C1=CC(CCl)=CC=C1 23456 [0,1,0,0,0,1|1,0,0]=3 592 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 12649 [0,1,0,0,0,1|1,0,1]=4 593 B11R1.266 CCC1=CC=CC(C(C)=O)=C1 3092 [0,1,0,0,0,1|1,0,0]=3 594 B11R1.266 COC1=CC(C(C)=O)=NC=C1 33636 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 35489 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.266 COC1=CC=CC(C(=O)O)=C1 9012 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.266 COC1=CC=CC(C(=O)O)=N1 15165 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.266 COC1=CC=CC(C(=O)O)=N1 17144 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.266 COC1=CC=CC(C(C)=O)=C1 9201 [0,1,0,0,0,1|1,0,0]=3 600 B11R1.266 COC1=CC=CC(C(N)=O)=N1 16543 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 10679 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 20970 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 2447 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 28922 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 14415 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 16448 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 9744 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 7446 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.49 CCN1N=C(C)C=C1C(=O)O 35143 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.59 COC(=O)C1=C(CBr)OC=C1 26386 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 27986 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.225 COC(=O)C1=CC(C)=NN1N 14869 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.225 COC(=O)C1=NC(Br)=CN1C 23741 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.225 COC(=O)C1=NC(N)=CN1C 23704 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.199 CCOC(=O)C1=C(C)C=CN1 15708 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.199 CCOC(=O)C1=C(C)NC=C1 9158 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.199 CCOC(=O)C1=CN=CN1N 31668 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.199 CCOC(=O)C1=NC=CN1C 22681 [0,2,0,0,0,0|1,0,0]=3 619 B11R1.875 COC(=O)C1=C(N)SC=C1C 35447 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.2 CC1=CC=CC(NN)=C1 6397 [0,0,1,1,0,0|2,0,0]=4 621 B9R1.2 CNC1=CC(Cl)=CC=C1 9202 [0,0,1,1,0,0|1,0,1]=4 622 B9R1.2 CNC1=CC(F)=CC=C1 24835 [0,0,1,1,0,0|1,0,1]=4 623 B9R1.2 CNC1=CC=CC(O)=C1 27611 [0,0,1,1,0,0|0,0,2]=4 624 B9R1.2 CSC1=CC(C)=CC=C1 10793 [0,0,1,1,0,0|2,0,0]=4 625 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,0,1,1,0,0|0,0,2]=4 626 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [0,0,1,1,0,0|1,0,1]=4 627 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,0,1,1,0,0|2,0,0]=4 628 B9R1.15 CC1=C(NN)C=CC=C1 22584 [0,0,1,1,0,0|2,0,0]=4 629 B9R1.15 CC1=C(NN)C=CC=C1 6396 [0,0,1,1,0,0|2,0,0]=4 630 B9R1.15 CNC1=C(F)C=CC=C1 15527 [0,0,1,1,0,0|1,0,1]=4 631 B9R1.15 CNC1=CC=CC=C1N 14987 [0,0,1,1,0,0|1,0,1]=4 632 B9R1.15 COC1=CC=CN=C1C 6637 [0,0,1,1,0,0|2,0,0]=4 633 B9R1.15 CSC1=C(C)C=CC=C1 10730 [0,0,1,1,0,0|2,0,0]=4 634 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,0,0,1,0,1|2,0,0]=4 635 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,0,0,1,0,1|1,0,0]=3 636 B11R2.1 O=C1CCc2ncccc21 26187 [0,0,0,1,0,1|1,0,0]=3 637 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [0,0,0,1,0,1|2,0,0]=4 638 B11R2.1 O=C1COC2=C1C=NC=C2 24176 [0,0,0,1,0,1|2,0,0]=4 639 B11R2.1 O=C1COC2=CN=CC=C12 24154 [0,0,0,1,0,1|2,0,0]=4 640 B11R2.1 O=C1COC2=NC=CC=C12 24153 [0,0,0,1,0,1|2,0,0]=4 641 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [0,0,0,1,0,1|2,0,0]=4 642 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [0,0,0,1,0,1|2,0,0]=4 643 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [0,0,0,1,0,1|2,0,0]=4 644 B11R2.106 O=C1CCCC2=C1C=CN2 24124 [0,1,0,1,0,0|2,0,0]=4 645 B11R2.106 O=C1CCCC2=C1C=CO2 14044 [0,1,0,1,0,0|2,0,0]=4 646 B11R2.106 O=C1CCCC2=C1C=CS2 13925 [0,1,0,1,0,0|2,0,0]=4 647 B11R2.106 O=C1CCCN2N=CC=C12 34697 [0,1,0,1,0,0|1,0,0]=3 648 B11R2.106 O=C1NC=NN2C=CC=C12 20716 [0,1,0,1,0,0|1,0,1]=4 649 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,0,0,0,0,2|2,0,0]=4 650 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,0,0,0,0,2|2,0,0]=4 651 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,0,0,0,0,2|2,0,0]=4 652 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 9601 [0,0,0,0,0,2|2,0,0]=4 653 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,0,0,0,0,2|2,0,0]=4 654 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 26792 [0,0,0,0,0,2|2,0,0]=4 655 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 26790 [0,0,0,0,0,2|2,0,0]=4 656 B11R1.86 CC(=O)NC1=NC=CC=C1Br 25022 [0,0,0,0,0,2|2,0,0]=4 657 B11R1.86 CC(=O)NC1=NC=CC=C1O 26791 [0,0,0,0,0,2|2,0,0]=4 658 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [0,0,0,0,0,2|2,0,0]=4 659 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [0,0,0,0,0,2|2,0,0]=4 660 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [0,0,0,0,0,2|2,0,0]=4 661 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,0,0,0,0,2|2,0,0]=4 662 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [0,0,0,0,0,2|2,0,0]=4 663 B11R1.90 CN1C=CC=C1\C=C\[N+](=O)[O-] 9179 [0,0,0,0,0,2|2,0,0]=4 664 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,0,0,0,0,2|2,0,0]=4 665 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,0,0,0,0,2|2,0,0]=4 666 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,0,0,0,0,2|2,0,0]=4 667 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,0,0,0,0,2|1,0,0]=3 668 B11R1.157 CC(=O)NC1=CC(C)=NC=C1 26051 [0,0,0,0,0,2|2,0,0]=4 669 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [0,0,0,0,0,2|2,0,0]=4 670 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [0,0,0,0,0,2|2,0,0]=4 671 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 25034 [0,0,0,0,0,2|2,0,0]=4 672 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 25032 [0,0,0,0,0,2|1,0,0]=3 673 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 16556 [0,0,0,0,0,2|2,0,0]=4 674 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [0,0,0,0,0,2|2,0,0]=4 675 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [0,0,0,0,0,2|2,0,0]=4 676 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,0,0,0,0,2|2,0,0]=4