0 B11R1.3 BrCC1=CC=C(C=C1)B(O)O AK-32249 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 C(#C)C1=CC=C(C(=O)O)C=C1 AK-44236 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 C1=C(C=CC(=C1)C#N)B(O)O AK-44971 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 C1=C(C=CC(=C1)C=O)C(O)=O AK-45367 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.3 C1=C(C=CC(=C1)CO)B(O)O AK-47289 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 C1=C(C=CC(=C1)OC)B(O)O AK-39804 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.3 C1=CC(=CC=C1[N+](=O)[O-])CO AK-46675 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 C1=CC(=NC=C1C(=O)O)NN AK-33131 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.3 C1=NC(=NC=C1[N+]([O-])=O)OC AK-46546 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 C=CC1=CC=C([N+]([O-])=O)C=C1 AK135882 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.3 CC(C1=CC=C(OC)N=C1)=O AK-76404 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [0,0,0,0,0,0|1,1,0]=2 17 B11R1.3 CCC1=CN=C(C=C1)C(O)=O AK-29521 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [0,0,0,0,0,0|1,0,1]=2 21 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [0,0,0,0,0,0|1,0,1]=2 22 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.3 COC1=CN=C(C=N1)C(=O)O AK-25141 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.3 N=C(N)C1=CC=C(C#N)C=C1 AK209127 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.3 N=C(N)C1=CC=C(OC)C=C1 AK-98683 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.3 N=C(N)C1=CN=C(OC)C=C1 AK-76650 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.3 NNC1=CC=C(C=C1)N(=O)=O AK-72989 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.3 O=C(C1=CN=C(NC)N=C1)O AK115951 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [0,0,0,0,0,0|1,0,0]=1 31 B11R1.3 O=C(C1=CN=C(SC)N=C1)O AK-26821 [0,0,0,0,0,0|2,1,0]=3 32 B11R1.3 O=C(C1=NC=C(C#N)N=C1)O AK137311 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.3 O=C(N)C1=CC=C(CN)C=C1 AK155450 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [0,0,0,0,0,0|1,0,0]=1 35 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [0,0,0,0,0,0|1,0,1]=2 36 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [0,0,0,0,0,0|1,0,0]=1 37 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-79152 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-88500 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [0,0,0,0,0,0|0,0,0]=0 40 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 AK123526 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 AK127091 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.3 O=CC1=CC=C([N+]([O-])=O)C=C1 AK-49906 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.3 O=[N+](C1=CC=C(C#C)C=C1)[O-] AK-85658 [0,0,0,0,0,0|2,0,2]=4 44 B11R1.3 OB(C1=CC=C(C=C)C=C1)O AK-45734 [0,0,0,0,0,0|2,0,2]=4 45 B11R1.3 OB(C1=CC=C(C=O)C=C1)O AK-45038 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.3 OB(C1=CN=C(OC)C=C1)O AK-25476 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.3 OB(C1=CN=C(OC)N=C1)O AK-26204 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.3 S=C(C1=CC=C(OC)N=C1)N AK-45169 [0,0,0,0,0,0|2,1,0]=3 49 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.3 C#CC1=CC=C(CC)C=C1 AK-43371 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.3 C(=O)C1=CN=C(C=C1)C#N AK-49150 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.3 C1=C(C=CC(=C1)C#C)OC AK-47351 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.3 C1=NC(=NC=C1C=O)OC AK-24039 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.3 CNC1=CC=C(OC)C=C1 AK-89674 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.3 COC1=CC=C(C=C)C=C1 AK-46470 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.3 COC1=CC=C(CN)C=N1 AK-34433 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 COC1=CC=C(CN)C=N1 AK100137 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.3 COC1=CC=C(CO)C=C1 AK-46460 [1,0,0,0,0,0|0,0,1]=2 59 B10R1.3 COC1=CC=C(CO)C=N1 AK-65086 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.3 COC1=CN=C(C#C)C=C1 AK123497 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.3 COC1=CN=C(OC)C=C1 AK161697 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.3 COC1=NC=C(CCl)C=C1 AK100139 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.3 COC1=NC=C(NN)C=C1 AK109318 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.3 N#CC1=CC=C(CO)C=C1 AK142802 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.3 N#CC1=CC=C(OC)C=C1 AK-50195 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.3 NCC1=CC=C(CO)C=C1 AK-32003 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.3 NNC1=CC=C(CC)C=C1 AK-88865 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.3 NNC1=CC=C(OC)C=C1 AK-47322 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.3 O=CC1=CC=C(C#C)C=C1 AK-51699 [1,0,0,0,0,0|1,0,1]=3 70 B10R1.3 O=CC1=CC=C(C#N)C=C1 AK-41243 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.3 O=CC1=CC=C(C=N1)C#N AK-40989 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.3 O=CC1=CC=C(C=O)C=C1 AK-40107 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.3 O=CC1=CC=C(CCl)C=C1 AK113959 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.3 O=CC1=CN=C(OC)C=C1 AK-36019 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.3 O=CC1=CN=C(SC)N=C1 AK-29586 [1,0,0,0,0,0|2,1,0]=4 76 B10R1.3 O=CC1=NC=C(CC)C=C1 AK118117 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.3 O=CC1=NC=C(OC)C=C1 AK-34181 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.3 OCC1=CC=C(C#C)C=C1 AK164494 [1,0,0,0,0,0|1,0,2]=4 79 B10R1.3 OCC1=CC=C(C=O)C=C1 AK-77797 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.3 OCC1=CC=C(CBr)C=C1 AK-81957 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.3 OCC1=CC=C(CCl)C=C1 AK-64050 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.3 OCC1=CC=C(CO)C=C1 AK-45211 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.3 OCC1=NC=C(OC)C=C1 AK-33076 [1,0,0,0,0,0|1,0,1]=3 84 B10R1.13 BrC1=CN=C(C=N1)C(=O)O AK-24192 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.13 BrC1=CN=C(N=C1)C(=O)O AK-21808 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [1,0,0,0,0,0|1,0,1]=3 88 B10R1.13 C1=C(C(=N)N)C=CC(=C1)Cl AK-49053 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 C1=C([N+](=O)[O-])N=CC(=C1)C AK-28721 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 C1=NC(=CN=C1C(=O)O)Cl AK-24710 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [1,0,0,0,0,0|1,0,0]=2 109 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 CC(C1=NC=C(O)N=C1)=O AK134806 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.13 CC1=NC=C(C=C1)B(O)O AK-27039 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.13 CC1=NC=C(C=N1)C(=O)O AK-25207 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 ClC1=CC=C(N=N1)C(=O)O AK-23862 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK-89169 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK107083 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.13 N=C(N)C1=CC=C(F)C=C1 AK-35244 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.13 N=C(N)C1=CC=C(O)C=C1 AK-16801 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.13 NC1=CC=C([N+]([O-])=O)C=C1 AK136006 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.13 NC1=CN=C(N=C1)C(O)=O AK-29407 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.13 O=C(C1=CC=C(Cl)N=C1)N AK-44668 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.13 O=C(C1=CN=C(Cl)N=C1)O AK-25020 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 O=C(C1=CN=C(N)N=C1)O AK-17303 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 O=C(C1=CN=C(O)N=C1)O AK-55017 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.13 O=C(C1=CNC(C=N1)=O)O AK-24756 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.13 O=C(C1=NC=C(Br)C=C1)N AK-36812 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.13 O=C(C1=NC=C(C)C=N1)O AK-29650 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.13 O=C(C1=NC=C(O)C=N1)O AK-40704 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK-25880 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK601861 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [1,0,0,0,0,0|2,0,0]=3 157 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [1,0,0,0,0,0|1,0,0]=2 158 B10R1.13 O=C(N)C1=CN=C(Br)C=C1 AK-41744 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.13 O=C(N)C1=NC=C(Cl)C=C1 AK142780 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.13 O=C(N)C1=NC=C(F)C=C1 AK110171 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [1,0,0,0,0,0|0,0,0]=1 163 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [1,0,0,0,0,0|1,0,0]=2 164 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [1,0,0,0,0,0|1,0,0]=2 165 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [1,0,0,0,0,0|1,0,0]=2 166 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [1,0,0,0,0,0|0,0,0]=1 167 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [1,0,0,0,0,0|1,0,0]=2 168 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [1,0,0,0,0,0|1,0,1]=3 170 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [1,0,0,0,0,0|1,0,0]=2 171 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [1,0,0,0,0,0|1,0,1]=3 172 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [1,0,0,0,0,0|0,0,1]=2 173 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [1,0,0,0,0,0|1,0,1]=3 174 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [1,0,0,0,0,0|1,0,0]=2 175 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [1,0,0,0,0,0|1,0,1]=3 176 B10R1.13 O=S(C1=CC=C(F)C=C1)[O-] AK114760 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.13 O=[N+](C1=CN=C(C)C=C1)[O-] AK-28977 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.13 OB(C1=CC=C(O)N=C1)O AK-40749 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [1,0,0,0,0,0|1,1,1]=4 181 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.13 OC(=O)C1=NC=C(Cl)C=N1 AK-64297 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.13 OC1=CC=C(C(=S)N)C=C1 AK-21819 [1,0,0,0,0,0|1,1,0]=3 185 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [1,0,0,0,0,0|1,0,1]=3 187 B10R1.13 OC1=CC=C(C=C1)C(F)F AK-76781 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.13 OC1=CN=C(C=C1)[N+](=O)[O-] AK-23835 [1,0,0,0,0,0|2,0,1]=4 191 B12R1.5 C(=O)C1=NC=C(C(=O)OC)C=C1 AK-30222 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.5 C(C)C1=CC=C(C=C1)C(=O)C=O AK-10028 [0,1,0,0,0,0|1,0,1]=3 193 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.5 C1=CC(=CC=C1C(OC)=O)C#N AK-46102 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [0,1,0,0,0,0|0,0,0]=1 196 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.5 CCC1=CC=C(C=C1)C(=O)CBr AK110622 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.5 CC[C@@H](C1=CC=C(OC)C=C1)N AK134097 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 AK-49350 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.5 COC(C1=CN=C(C=C1)CO)=O AK-23866 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [0,1,0,0,0,0|1,0,0]=2 203 B12R1.5 COC1=CC=C(C(N)CO)C=C1 AK668329 [0,1,0,0,0,0|1,0,1]=3 204 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AK548216 [0,1,0,0,0,0|1,0,1]=3 205 B12R1.5 COC1=CC=C([C@@H](N)CO)C=N1 AK684521 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.5 N=C(NO)C1=NC=C(OC)C=C1 AK-77054 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [0,1,0,0,0,0|1,0,0]=2 208 B12R1.5 O=C(NN)C1=CC=C(C#N)C=C1 AK-92904 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 AK-88481 [0,1,0,0,0,0|1,0,1]=3 210 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.5 O=C(OC)C1=CC=C(NN)C=C1 AK165897 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.5 O=C(OC)C1=CN=C(C#C)C=C1 AK151766 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 AK-29959 [0,1,0,0,0,0|1,0,0]=2 214 B12R1.5 O=C(OC)C1=NC=C(CBr)C=C1 AK153186 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.5 OCC(N)C1=CC=C(OC)C=C1 AK200151 [0,1,0,0,0,0|1,0,1]=3 216 B12R1.6 CNC1=CC=C(C=C1)[S](=O)(=O)C AK-39565 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 AK-81685 [0,1,0,0,0,0|2,0,1]=4 218 B12R1.6 COC1=CC=C([B-](F)(F)F)C=C1 AK129328 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.6 FC(C1=CC=C(OC)C=C1)(F)F AK-77368 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.48 C(#N)C1=C(C=C(C(=O)O)C=C1)C AK-54802 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.48 C(#N)C1=C(C=C(C(=O)O)C=C1)F AK-33745 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.48 C1=C(C(=CC=C1C(C)=O)OC)O AK-50384 [0,1,0,0,0,0|1,0,0]=2 223 B12R1.48 CC(C1=CC=C(OC)C(Br)=C1)=O AK-24248 [0,1,0,0,0,0|1,0,0]=2 224 B12R1.48 CC(C1=CC=C(OC)C(C)=C1)=O AK-68223 [0,1,0,0,0,0|1,0,0]=2 225 B12R1.48 COC1=C(C)C=C(C=C1)B(O)O AK-33740 [0,1,0,0,0,0|1,0,1]=3 226 B12R1.48 COC1=C(C)C=C(C=C1)[N+]([O-])=O AK-79406 [0,1,0,0,0,0|1,0,1]=3 227 B12R1.48 COC1=C(Cl)C=C(C=C1)B(O)O AK-75737 [0,1,0,0,0,0|1,0,1]=3 228 B12R1.48 COC1=C(Cl)C=C(C=C1)C(O)=O AK-79135 [0,1,0,0,0,0|0,0,0]=1 229 B12R1.48 COC1=C(F)C=C(B(O)O)C=N1 AK-84349 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.48 COC1=C(I)C=C(C=C1)[N+]([O-])=O AK-32591 [0,1,0,0,0,0|1,0,1]=3 231 B12R1.48 COC1=CC=C([N+]([O-])=O)C=C1Cl AK-35314 [0,1,0,0,0,0|1,0,1]=3 232 B12R1.48 COC1=NC=C(C=C1C)[N+]([O-])=O AK-54496 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.48 C[C@H](N)C1=CC=C(OC)C(F)=C1 AK130220 [0,1,0,0,0,0|2,0,1]=4 234 B12R1.48 NC1=CC([N+]([O-])=O)=CC=C1CC AK111433 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.48 NC1=CC([N+]([O-])=O)=CC=C1NC AK-35111 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.48 O=C(N)C1=CC=C(OC)C(N)=C1 AK-63939 [0,1,0,0,0,0|1,0,0]=2 237 B12R1.48 O=C(O)C1=CC=C(C#N)C(Cl)=C1 AK608481 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.48 O=C(O)C1=CC=C(C#N)C(N)=C1 AK200894 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 AK-30254 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.48 O=C(O)C1=CC=C(CC)C(Br)=C1 AK-93351 [0,1,0,0,0,0|1,0,0]=2 241 B12R1.48 O=C(O)C1=CC=C(CC)C(N)=C1 AK-35408 [0,1,0,0,0,0|1,0,0]=2 242 B12R1.48 O=C(O)C1=CC=C(NC)C(N)=C1 AK-36039 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.48 O=C(O)C1=CC=C(OC)C(C)=C1 AK-32602 [0,1,0,0,0,0|0,0,0]=1 244 B12R1.48 O=C(O)C1=CC=C(OC)C(O)=C1 AK-72971 [0,1,0,0,0,0|0,0,0]=1 245 B12R1.48 O=C(O)C1=CN=C(OC)C(Br)=C1 AK151001 [0,1,0,0,0,0|1,0,0]=2 246 B12R1.48 O=C(O)C1=CN=C(OC)C(F)=C1 AK100002 [0,1,0,0,0,0|1,0,0]=2 247 B12R1.48 O=C(O)C1=NC(Cl)=C(C#N)C=C1 AK127173 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.48 O=[N+](C1=CC=C(C(C)=C1)NC)[O-] AK136012 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.48 O=[N+](C1=CC=C(OC)C(Br)=C1)[O-] AK-79112 [0,1,0,0,0,0|1,0,1]=3 250 B12R1.48 O=[N+](C1=CC=C(OC)C(Br)=N1)[O-] AK-48488 [0,1,0,0,0,0|2,0,1]=4 251 B12R1.48 O=[N+](C1=CC=C(OC)C(F)=C1)[O-] AK-35242 [0,1,0,0,0,0|1,0,1]=3 252 B12R1.48 O=[N+](C1=CN=C(OC)C(Cl)=C1)[O-] AK123545 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.48 OC(=O)C1=CC(Br)=C(C=O)C=C1 AK100358 [0,1,0,0,0,0|2,0,0]=3 254 B12R1.48 OC1=CC([N+]([O-])=O)=CC=C1OC AK-76550 [0,1,0,0,0,0|1,0,1]=3 255 B12R1.113 C(C)OC1=NC=C(C=C1)B(O)O AK-35850 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.113 C1=C(C=CC(=C1)CCC)B(O)O AK-28770 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.113 CC(C1=CC=C(OCC)N=C1)=O AK160899 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.113 CCOC1=NC=C(N=C1)C(O)=O AK-59873 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.113 COCC1=CC=C(C=C1)B(O)O AK-59627 [0,1,0,0,0,0|1,0,1]=3 260 B12R1.113 NCCC1=CC=C(C=C1)[N+]([O-])=O AK-77041 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.113 NCCC1=CC=C([N+]([O-])=O)C=C1 AK-50720 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.113 NOCC1=CC=C([N+]([O-])=O)C=C1 AK124241 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 AK-77033 [0,1,0,0,0,0|1,0,0]=2 264 B12R1.113 O=C(O)C1=CC=C(CCC)C=C1 AK116594 [0,1,0,0,0,0|1,0,0]=2 265 B12R1.113 O=C(O)C1=CC=C(OCC)C=C1 AK112939 [0,1,0,0,0,0|0,0,0]=1 266 B12R1.113 O=C(O)C1=NC=C(OCC)C=C1 AK-66857 [0,1,0,0,0,0|1,0,0]=2 267 B12R1.113 O=[N+](C1=CC=C(C=C1)CCO)[O-] AK-42427 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.113 O=[N+](C1=CC=C(CCBr)C=C1)[O-] AK-42283 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.113 O=[N+](C1=CC=C(CNC)C=C1)[O-] AK684577 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.113 OB(C1=CC=C(OCC)C=C1)O AK-34189 [0,1,0,0,0,0|1,0,1]=3 271 B12R1.113 OC(=O)C1=CC=C(CC#N)C=C1 AK-43276 [0,1,0,0,0,0|1,0,1]=3 272 B12R1.256 C1=C(C(C)=O)C=CC(=C1)C(O)=O AK-45767 [0,1,0,0,0,0|1,0,0]=2 273 B12R1.256 C1=C(C=CC(=C1)B(O)O)C(=O)N AK-47634 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.256 C1=CC(=CC=C1B(O)O)C(=O)O AK-45039 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.256 C1=CC(=CC=C1B(O)O)C(C)C AK-33537 [0,1,0,0,0,0|2,0,1]=4 276 B12R1.256 C1=CC(=CC=C1C(C)C)C(O)=O AK-47310 [0,1,0,0,0,0|1,0,0]=2 277 B12R1.256 C1=CC(=NC=C1C(O)=O)[N+]([O-])=O AK-24485 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.256 CC(=O)C1=NC=C(N=C1)C(O)=O AK-55121 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.256 CC(C1=CC=C(B(O)O)C=C1)O AK134194 [0,1,0,0,0,0|2,0,1]=4 280 B12R1.256 CC(C1=CC=C(N(C)C)C=C1)=O AK136066 [0,1,0,0,0,0|2,0,0]=3 281 B12R1.256 CC(C1=CC=C([N+]([O-])=O)C=C1)=O AK-46491 [0,1,0,0,0,0|2,0,1]=4 282 B12R1.256 CN(C)C1=CC=C(C=C1)B(O)O AK-25708 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.256 C[C@H](N)C1=CC=C([N+]([O-])=O)C=C1 AK-57955 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.256 N[C@H](C)C1=CC=C([N+]([O-])=O)C=C1 AK-35692 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.256 O=C(N)C1=CC=C(C(N)=N)C=C1 AK-51220 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.256 O=C(N)C1=CC=C(C(O)C)C=C1 AK149703 [0,1,0,0,0,0|2,0,0]=3 287 B12R1.256 O=C(N)C1=CC=C(N(C)C)C=C1 AK-64565 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.256 O=C(O)C1=CC=C(C(N)=N)C=C1 AK139166 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.256 O=C(O)C1=CC=C(C(O)C)C=C1 AK140628 [0,1,0,0,0,0|1,0,0]=2 290 B12R1.256 O=C(O)C1=CC=C(N(C)C)C=C1 AK-41190 [0,1,0,0,0,0|1,0,0]=2 291 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK154798 [0,1,0,0,0,0|1,0,0]=2 292 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK157590 [0,1,0,0,0,0|1,0,0]=2 293 B12R1.256 O=C(O)C1=CC=C([C@H](N)C)C=C1 AK155202 [0,1,0,0,0,0|1,0,0]=2 294 B12R1.256 O=C(O)C1=CC=C([N+]([O-])=O)C=C1 AK-77655 [0,1,0,0,0,0|2,0,0]=3 295 B12R1.256 O=[N+](C1=CC=C(C(Br)C)C=C1)[O-] AK127643 [0,1,0,0,0,0|2,0,1]=4 296 B12R1.256 OB(C1=CC=C(C(C)=O)C=C1)O AK-45484 [0,1,0,0,0,0|2,0,1]=4 297 B12R1.256 OC(=O)C1=CN=C(C=C1)C(O)=O AK-41175 [0,1,0,0,0,0|3,0,0]=4 298 B12R1.256 [N+](=O)([O-])C1=CN=C(C=C1)C(=O)O AK-23840 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.452 C1=C(C(=CC=C1OC)B(O)O)Cl AK-27130 [0,1,0,0,0,0|1,0,1]=3 300 B12R1.452 C1=C(C(=NC(=C1)OC)Cl)[N+](=O)[O-] AK-27821 [0,1,0,0,0,0|2,0,1]=4 301 B12R1.452 C1=C(OC)C=CC(=C1F)B(O)O AK-33552 [0,1,0,0,0,0|1,0,1]=3 302 B12R1.452 C1=C(OC)N=CC(=C1C)[N+]([O-])=O AK-26239 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.452 C1=CC(=CC(=C1C(C)=O)F)OC AK-36270 [0,1,0,0,0,0|1,0,0]=2 304 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC AK-25965 [0,1,0,0,0,0|0,0,0]=1 305 B12R1.452 C1=CC(=CC(=C1[N+](=O)[O-])N)OC AK-21795 [0,1,0,0,0,0|1,0,1]=3 306 B12R1.452 CC(C1=CC=C(OC)C=C1O)=O AK-79421 [0,1,0,0,0,0|1,0,0]=2 307 B12R1.452 CC1=CC(OC)=CC=C1B(O)O AK-45220 [0,1,0,0,0,0|1,0,1]=3 308 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl AK-34147 [0,1,0,0,0,0|0,0,0]=1 309 B12R1.452 COC1=CC(C)=C(C=N1)B(O)O AK-29315 [0,1,0,0,0,0|2,0,1]=4 310 B12R1.452 COC1=CC(O)=C(C=C1)C(O)=O AK-34197 [0,1,0,0,0,0|0,0,0]=1 311 B12R1.452 COC1=CC(O)=C(C=C1)C([O-])=O AK103858 [0,1,0,0,0,0|0,0,1]=2 312 B12R1.452 C[C@H](N)C1=CC=C(OC)C=C1F AK133432 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.452 FC1=C(C=CC(=C1)OC)[N+](=O)[O-] AK-25986 [0,1,0,0,0,0|1,0,1]=3 314 B12R1.452 NC1=NC(OC)=CC=C1[N+]([O-])=O AK-27356 [0,1,0,0,0,0|2,0,1]=4 315 B12R1.452 O=C(C1=CN=C(SC)N=C1Cl)O AK-50918 [0,1,0,0,0,0|2,1,0]=4 316 B12R1.452 O=C(C1=CN=C(SC)N=C1N)O AK127918 [0,1,0,0,0,0|2,1,0]=4 317 B12R1.452 O=C(O)C1=CC=C(C#N)C=C1Br AK152705 [0,1,0,0,0,0|2,0,0]=3 318 B12R1.452 O=C(O)C1=CC=C(C#N)C=C1Cl AK150302 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.452 O=C(O)C1=CC=C(C#N)C=C1F AK-33580 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.452 O=C(O)C1=CC=C(C#N)C=C1I AK-89899 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.452 O=C(O)C1=CC=C(NN)C=C1Cl AK172625 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.452 O=C(O)C1=CC=C(OC)C=C1Br AK-86973 [0,1,0,0,0,0|0,0,0]=1 323 B12R1.452 O=C(O)C1=CC=C(OC)C=C1C AK-51514 [0,1,0,0,0,0|0,0,0]=1 324 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Br)[O-] AK136327 [0,1,0,0,0,0|1,0,1]=3 325 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Cl)[O-] AK-41479 [0,1,0,0,0,0|1,0,1]=3 326 B12R1.452 O=[N+](C1=CC=C(OC)N=C1Br)[O-] AK-48876 [0,1,0,0,0,0|2,0,1]=4 327 B12R1.452 O=[N+](C1=CC=C(OC)N=C1C)[O-] AK-28109 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.452 OC1=CC(OC)=CC=C1[N+]([O-])=O AK-29448 [0,1,0,0,0,0|1,0,1]=3 329 B12R1.452 OC1=NC(=NC=C1C(=O)O)SC AK-27713 [0,1,0,0,0,0|2,1,0]=4 330 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O AK549131 [0,0,0,1,0,0|1,0,0]=2 331 B12R2.1384 OB(C1=CC=C2CCC2=C1)O AK164312 [0,0,0,1,0,0|2,0,1]=4 332 B10R1.31 C1=C(OC(=C1)CO)C(=O)O AK-26213 [0,0,0,0,1,0|3,0,0]=4 333 B10R1.31 CSC1=CC=C(S1)C(O)=O AK-34056 [0,0,0,0,1,0|1,1,0]=3 334 B10R1.31 O=C(C1=CC(C#N)=CO1)O AK-42021 [0,0,0,0,1,0|3,0,0]=4 335 B10R1.31 O=C(C1=CC=C(C=O)O1)O AK-58389 [0,0,0,0,1,0|3,0,0]=4 336 B10R1.31 O=C(C1=CC=C(C=O)S1)O AK-35246 [0,0,0,0,1,0|3,0,0]=4 337 B10R1.31 O=C(C1=CN(CC)N=C1)O AK-83434 [0,0,0,0,1,0|3,0,0]=4 338 B10R1.31 O=C(C1=CSC(CC)=N1)O AK-41200 [0,0,0,0,1,0|3,0,0]=4 339 B10R1.31 O=C(C1=CSC(CC)=N1)O AK107643 [0,0,0,0,1,0|3,0,0]=4 340 B10R1.31 O=C(C1=NC(CC)=CS1)O AK158458 [0,0,0,0,1,0|3,0,0]=4 341 B10R1.31 O=C(C1=NC=C(OC)O1)O AK139150 [0,0,0,0,1,0|2,0,0]=3 342 B10R1.31 OC(=O)C1=CC=C(O1)C#N AK-40423 [0,0,0,0,1,0|3,0,0]=4 343 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [0,0,0,0,0,1|1,0,0]=2 344 B12R1.4 C1=CC(=CC=C1OC)CC(O)=O AK-47564 [0,0,0,0,0,1|0,0,0]=1 345 B12R1.4 CC(NC1=CC=C(C#N)C=C1)=O AK-80147 [0,0,0,0,0,1|3,0,0]=4 346 B12R1.4 CC(NC1=CC=C(C=O)C=C1)=O AK-46288 [0,0,0,0,0,1|3,0,0]=4 347 B12R1.4 CC(NC1=CC=C(CN)C=C1)=O AK144131 [0,0,0,0,0,1|3,0,0]=4 348 B12R1.4 CC(OC1=CC=C(CBr)C=C1)=O AK146329 [0,0,0,0,0,1|3,0,0]=4 349 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 AK-59632 [0,0,0,0,0,1|2,0,0]=3 350 B12R1.4 O=C(O)CC1=CC=C(CN)C=C1 AK-93749 [0,0,0,0,0,1|2,0,0]=3 351 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 AK135016 [0,0,0,0,0,1|2,0,0]=3 352 B12R1.4 O=C(O)CC1=CC=C(SC)C=C1 AK-45539 [0,0,0,0,0,1|0,1,0]=2 353 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [2,0,0,0,0,0|1,0,1]=4 355 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [2,0,0,0,0,0|1,0,0]=3 356 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [2,0,0,0,0,0|0,0,1]=3 359 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.1 C1=NC(=CC=C1C=O)Br AK-25442 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.1 C1=NC(=CC=C1C=O)Cl AK-25624 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [2,0,0,0,0,0|0,0,0]=2 365 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [2,0,0,0,0,0|1,0,1]=4 366 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [2,0,0,0,0,0|1,0,0]=3 367 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [2,0,0,0,0,0|1,0,1]=4 368 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [2,0,0,0,0,0|1,0,0]=3 369 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [2,0,0,0,0,0|1,0,0]=3 372 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [2,0,0,0,0,0|1,0,0]=3 373 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [2,0,0,0,0,0|0,0,0]=2 374 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 ClC1=CN=C(C=C1)C=O AK-44636 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.1 FC1=NC=C(C=C1)C=O AK-25098 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [2,0,0,0,0,0|0,0,0]=2 388 B9R1.1 O=CC1=CN=C(C)N=C1 AK-36829 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.1 O=CC1=CN=C(N)C=C1 AK114395 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.1 O=CC1=CN=C(N)C=C1 AK125046 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.1 O=CC1=CN=C(O)N=C1 AK199230 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.1 O=CC1=NC=C(Br)C=C1 AK-27944 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.1 O=CC1=NC=C(C)N=C1 AK-40389 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.1 O=CC1=NC=C(F)C=C1 AK-34624 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [2,0,0,0,0,0|1,0,0]=3 396 B9R1.1 O=CC=1C=CC(NC1)=O AK-28718 [2,0,0,0,0,0|1,0,1]=4 397 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.1 OC1=CC=C(C=C1)C#N AK-44095 [2,0,0,0,0,0|1,0,1]=4 399 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [2,0,0,0,0,0|1,0,1]=4 400 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [2,0,0,0,0,0|1,0,1]=4 402 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [2,0,0,0,0,0|0,0,1]=3 403 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [2,0,0,0,0,0|1,0,1]=4 404 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [2,0,0,0,0,0|1,0,1]=4 405 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [2,0,0,0,0,0|1,0,1]=4 406 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [2,0,0,0,0,0|1,0,1]=4 410 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [2,0,0,0,0,0|1,0,1]=4 415 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [2,0,0,0,0,0|1,1,0]=4 420 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [2,0,0,0,0,0|1,0,0]=3 422 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [2,0,0,0,0,0|1,0,0]=3 425 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [2,0,0,0,0,0|1,0,1]=4 427 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [2,0,0,0,0,0|1,0,0]=3 428 B11R1.83 C(C)OC1=CC=C(C=C1)C#C AK-43544 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.83 C1=CC(=CC=C1OC)CNC AK-16703 [1,1,0,0,0,0|1,0,1]=4 430 B11R1.83 CCNC1=CC=C(C=O)C=C1 AK-80937 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.83 COC1=CC=C(C=CC)C=C1 AK111252 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.83 COC1=CC=C(CCO)C=C1 AK-53969 [1,1,0,0,0,0|0,0,1]=3 433 B11R1.83 COC1=CC=C(CNC)C=C1 AK-16702 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 AK-93416 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.83 NCC1=CC=C(OCC)C=C1 AK116322 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.83 NNCC1=CC=C(OC)C=C1 AK-33977 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.83 O=CC1=CC=C(CCC)C=C1 AK115629 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.83 O=CC1=CN=C(OCC)C=C1 AK-62192 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.83 O=CCC1=CC=C(OC)C=C1 AK-44388 [1,1,0,0,0,0|0,0,0]=2 440 B11R1.83 OCCC1=CC=C(C=O)C=C1 AK-82074 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.83 ONCC1=CC=C(OC)C=C1 AK123262 [1,1,0,0,0,0|0,0,1]=3 442 B11R1.83 [NH3+]OCC1=CC=C(OC)C=C1 AK-96413 [1,1,0,0,0,0|0,0,1]=3 443 B11R1.279 BrC1=C(C#N)C=CC(=C1)OC AK-40998 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.279 BrC1=C(C=O)C=CC(=C1)OC AK-35147 [1,1,0,0,0,0|0,0,0]=2 445 B11R1.279 C1=C(C(=CC=C1C=O)OC)C AK-42538 [1,1,0,0,0,0|0,0,0]=2 446 B11R1.279 C1=C(C(=CC=C1OC)C=O)C AK-35468 [1,1,0,0,0,0|0,0,0]=2 447 B11R1.279 C1=C(C=CC(=C1F)C=O)OC AK-27171 [1,1,0,0,0,0|0,0,0]=2 448 B11R1.279 C1=C(C=CC(=C1F)OC)C=O AK-34809 [1,1,0,0,0,0|0,0,0]=2 449 B11R1.279 C1=C(C=CC(=C1O)C=O)OC AK-26247 [1,1,0,0,0,0|0,0,0]=2 450 B11R1.279 C1=C(C=CC(=C1O)OC)CO AK-46780 [1,1,0,0,0,0|0,0,1]=3 451 B11R1.279 CC1=CC(CCl)=CC=C1OC AK117491 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 AK-71229 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.279 COC1=C(C=C(C=C1)OC)O AK-75677 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.279 COC1=C(Cl)C=C(C=C1)C#N AK-45330 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 AK-87995 [1,1,0,0,0,0|0,0,0]=2 456 B11R1.279 COC1=C(N)C=C(CO)C=C1 AK-80791 [1,1,0,0,0,0|0,0,1]=3 457 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 AK-89840 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.279 COC1=CC=C(CBr)C=C1Cl AK-46361 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.279 COC1=CC=C(OC)C(Br)=C1 AK-44610 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.279 COC1=CC=C(OC)C(F)=C1 AK-53728 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.279 ClC1=C(C=O)C=CC(=C1)OC AK-64556 [1,1,0,0,0,0|0,0,0]=2 462 B11R1.279 N#CC1=CC=C(C=O)C(C)=C1 AK138989 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.279 N#CC1=CC=C(C=O)C(F)=C1 AK-25279 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.279 N#CC1=CC=C(C=O)C=C1F AK-30947 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.279 N#CC1=CC=C(OC)C(Br)=C1 AK-32943 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.279 N#CC1=CC=C(OC)C(F)=C1 AK-78685 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.279 N#CC1=CC=C(OC)C(N)=C1 AK-40956 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.279 N#CC1=CC=C(OC)C=C1C AK-86230 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.279 N#CC1=CC=C(OC)C=C1Cl AK-33068 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.279 N#CC1=CC=C(OC)C=C1N AK-34954 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.279 N#CC1=CC=C(OC)C=C1O AK-26764 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.279 NC1=CC(CC)=CC=C1OC AK456630 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.279 NCC1=CC=C(OC)C(Cl)=C1 AK-16614 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.279 NCC1=CC=C(OC)C(F)=C1 AK117550 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.279 NNC1=CC=C(OC)C=C1F AK-86781 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.279 O=CC1=C(Br)N=C(OC)C=C1 AK104750 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.279 O=CC1=CC=C(OC)C(Br)=C1 AK-79107 [1,1,0,0,0,0|0,0,0]=2 478 B11R1.279 O=CC1=CC=C(OC)C(I)=C1 AK-81859 [1,1,0,0,0,0|0,0,0]=2 479 B11R1.279 O=CC1=CC=C(OC)C(N)=C1 AK-34800 [1,1,0,0,0,0|0,0,0]=2 480 B11R1.279 O=CC1=CC=C(OC)C(O)=C1 AK-26987 [1,1,0,0,0,0|0,0,0]=2 481 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 AK-76983 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.279 O=CC1=CN=C(OC)C=C1C AK-33020 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.279 OC1=C(C=CC(=C1)C#N)OC AK-39764 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.279 OC1=CC(CC)=CC=C1C=O AK209435 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.279 OCC1=CC=C(OC)C(Br)=C1 AK-34956 [1,1,0,0,0,0|0,0,1]=3 486 B11R1.279 OCC1=CC=C(OC)N=C1Cl AK167661 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)O AK-73113 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.19 CC1=CC=C(C=C1)P(=O)(O)O AK-80283 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AK-93752 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.19 CC1=CC=C(S(=O)([O-])=O)C=C1 AK-48060 [1,1,0,0,0,0|1,0,1]=4 491 B11R1.19 O=S(C1=CC=C(C)C=C1)(C)=O AK-94753 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-45062 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-77681 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK101690 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK150790 [1,1,0,0,0,0|1,0,0]=3 496 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK164877 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK311262 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.19 O=S(C1=CC=C(C)C=C1)([O-])=O AK-54466 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.19 O=S(C1=CC=C(C)C=C1)([O-])=O AK126645 [1,1,0,0,0,0|1,0,1]=4 500 B11R1.19 O=S(C1=CC=C(O)C=C1)([O-])=O AK117280 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.21 BrC1=C(C=C(C(=O)O)C=C1)O AK-39977 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.21 BrC1=C(C=C(C=C1)C(C)=O)F AK-34604 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.21 BrC1=C(C=CC(=C1)C(=O)O)Cl AK-30019 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.21 BrC1=CN=C(C=C1C)C(=O)O AK-37510 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.21 C1=C(C(=CC=C1C(=O)C)F)C AK-48194 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N AK-34321 [1,1,0,0,0,0|0,0,0]=2 507 B11R1.21 C1=C(C(=CC=C1C(=O)O)N)C AK-34339 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.21 C1=C(C(=CC=C1C(C)=O)F)Br AK-50601 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.21 C1=C(C(=CC=C1C(O)=O)Cl)O AK-25796 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.21 C1=C(C(=CC=C1C(O)=O)O)C AK-46719 [1,1,0,0,0,0|0,0,0]=2 511 B11R1.21 C1=C(C=CC(=C1Br)C)C(O)=O AK-36339 [1,1,0,0,0,0|0,0,0]=2 512 B11R1.21 C1=C(C=CC(=C1C)Cl)C(O)=O AK-47580 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.21 C1=C(C=CC(=C1Cl)Cl)C(O)=O AK-46631 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.21 C1=C(C=CC(=C1F)C)C(O)=O AK-34796 [1,1,0,0,0,0|0,0,0]=2 515 B11R1.21 C1=C(C=CC(=C1F)F)C(O)=O AK-47373 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.21 C1=C(C=CC(=C1F)O)C(C)=O AK-42173 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.21 C1=C(C=CC(=C1O)O)C(O)=O AK-47644 [1,1,0,0,0,0|0,0,0]=2 518 B11R1.21 C1=C(Cl)C(=CC=C1[N+]([O-])=O)O AK-35873 [1,1,0,0,0,0|1,0,1]=4 519 B11R1.21 C1=C(F)C(=CC=C1B(O)O)C AK-26865 [1,1,0,0,0,0|1,0,1]=4 520 B11R1.21 C1=C(O)C(=CC=C1C(=O)O)N AK-34278 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1O)C AK-40855 [1,1,0,0,0,0|1,0,1]=4 522 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)F AK-35058 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.21 C1=CC(=C(C=C1C(O)=O)F)N AK-35239 [1,1,0,0,0,0|1,0,0]=3 524 B11R1.21 C1=CC(=CC(=C1F)Cl)C(=O)C AK-49084 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.21 C1=CC(=CC(=C1O)Br)[N+]([O-])=O AK-29436 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.21 CC(C1=CC=C(Br)C(C)=C1)=O AK-65018 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O AK114290 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.21 CC(C1=CC=C(Cl)C(C)=C1)=O AK-51511 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.21 CC(C1=CC=C(Cl)C(Cl)=C1)=O AK-41915 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.21 CC(C1=CC=C(Cl)C(N)=C1)=O AK-45178 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.21 CC(C1=CC=C(F)C(F)=C1)=O AK-53703 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.21 CC(C1=CC=C(I)C(Br)=C1)=O AK482929 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.21 CC(C1=CC=C(N)C(F)=C1)=O AK-94340 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.21 CC(C1=CC=C(O)C(Br)=C1)=O AK201265 [1,1,0,0,0,0|1,0,0]=3 535 B11R1.21 CC(C1=CC=C(O)C(C)=C1)=O AK-41189 [1,1,0,0,0,0|1,0,0]=3 536 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O AK-42350 [1,1,0,0,0,0|1,0,0]=3 537 B11R1.21 CC1=C(C)N=C(C=C1)C(O)=O AK-89986 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.21 CC1=C(F)C=CC(=N1)C(O)=O AK-38458 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.21 CC1=CC(=CNC1=O)C(O)=O AK-78282 [1,1,0,0,0,0|1,0,1]=4 540 B11R1.21 CC1=CC(B(O)O)=CC=C1O AK-85496 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.21 FC1=C(C=CC(=C1)C(=O)O)I AK-36475 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.21 N=C(N)C1=CC=C(C)C(F)=C1 AK-63979 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 AK-87520 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.21 NC1=C(I)C=CC(=C1)C(O)=O AK-82318 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.21 NC1=C(O)C=CC(=C1)C(O)=O AK-33476 [1,1,0,0,0,0|0,0,0]=2 546 B11R1.21 NC1=CC(=CC=C1Cl)C(O)=O AK-73058 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.21 NC1=CC([N+]([O-])=O)=CC=C1C AK-44165 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.21 O=C(C1=CC(Br)=C(Br)N=C1)O AK-29099 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.21 O=C(C1=CC(Cl)=C(Cl)N=C1)O AK-25953 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.21 O=C(C1=NC(Cl)=C(C)C=C1)O AK-76573 [1,1,0,0,0,0|1,0,0]=3 551 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)O AK-34900 [1,1,0,0,0,0|1,0,1]=4 552 B11R1.21 O=C(C=1C=CN(C)C(C1)=O)O AK-34747 [1,1,0,0,0,0|1,0,0]=3 553 B11R1.21 O=C(N)C1=CC=C(N)C(O)=C1 AK437623 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 AK-64921 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.21 O=C(O)C1=CC=C(Br)C(C)=C1 AK-26325 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 AK-86432 [1,1,0,0,0,0|1,0,0]=3 557 B11R1.21 O=C(O)C1=CC=C(Br)C(F)=C1 AK-50383 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.21 O=C(O)C1=CC=C(Br)C(N)=C1 AK-34514 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.21 O=C(O)C1=CC=C(C)C(Cl)=C1 AK-73060 [1,1,0,0,0,0|0,0,0]=2 560 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 AK-51540 [1,1,0,0,0,0|0,0,0]=2 561 B11R1.21 O=C(O)C1=CC=C(C)C(O)=C1 AK-61869 [1,1,0,0,0,0|0,0,0]=2 562 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=C1 AK-35057 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 AK-32644 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.21 O=C(O)C1=CC=C(F)C(C)=C1 AK-35056 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 AK-53849 [1,1,0,0,0,0|1,0,0]=3 566 B11R1.21 O=C(O)C1=CC=C(F)C(N)=C1 AK-34274 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 AK-35418 [1,1,0,0,0,0|1,0,0]=3 568 B11R1.21 O=C(O)C1=CC=C(I)C(Cl)=C1 AK174208 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.21 O=C(O)C1=CC=C(I)C(O)=C1 AK-44390 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.21 O=C(O)C1=CC=C(N)C(Br)=C1 AK-35930 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.21 O=C(O)C1=CC=C(N)C(Cl)=C1 AK-34340 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.21 O=C(O)C1=CC=C(N)C(N)=C1 AK-45165 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 AK-34797 [1,1,0,0,0,0|0,0,0]=2 574 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 AK-23816 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 AK173995 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.21 O=C(O)C1=CN=C(Cl)C(I)=C1 AK324930 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 AK-49660 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.21 O=C(O)C1=CN=C(N)C(Br)=C1 AK-25059 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.21 O=C(O)C1=CN=C(N)C(N)=C1 AK126240 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.21 O=C(O)C1=NC(Br)=C(C)C=C1 AK138206 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 AK-53664 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 AK-53910 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.21 O=C(O)C1=NC(C)=C(Br)C=C1 AK-61563 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 AK-53898 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 AK-53913 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 AK-92903 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 AK-55136 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.21 O=C(O)C1=NC=C(C)C(Br)=C1 AK137974 [1,1,0,0,0,0|1,0,0]=3 589 B11R1.21 O=[N+](C1=CC=C(C)C(Br)=C1)[O-] AK-36359 [1,1,0,0,0,0|1,0,1]=4 590 B11R1.21 O=[N+](C1=CC=C(C)C(I)=C1)[O-] AK-36358 [1,1,0,0,0,0|1,0,1]=4 591 B11R1.21 OB(C1=CC=C(C)C(C)=C1)O AK-45214 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.21 OB(C1=CC=C(O)C(F)=C1)O AK-33809 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.21 OC(=O)C1=CC(=O)C(O)=CN1 AK-89588 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.21 OC(=O)C1=CC(Br)=C(I)C=C1 AK-80847 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 AK-64714 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.21 OC(=O)C1=CC(I)=C(Cl)C=C1 AK-35135 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.21 OC(=O)C1=CC=C(Cl)C(=O)N1 AK100453 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.21 OC(=O)C1=NC=C(Cl)C(Cl)=C1 AK-67884 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.21 OC1=CC=C(B(O)O)C=C1Cl AK-61628 [1,1,0,0,0,0|1,0,1]=4 600 B11R1.21 OC1=CC=C([N+]([O-])=O)C=C1F AK-30391 [1,1,0,0,0,0|1,0,1]=4 601 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl AK-32450 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.22 C1=NC(=CC=C1C(=O)OC)Br AK-27762 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [1,1,0,0,0,0|1,0,1]=4 609 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [1,1,0,0,0,0|1,0,0]=3 613 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [1,1,0,0,0,0|1,0,0]=3 622 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [1,1,0,0,0,0|1,0,1]=4 624 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 AK-76998 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.22 O=C(C1=CC=C(F)C=C1)C=O AK-10004 [1,1,0,0,0,0|1,0,1]=4 627 B11R1.22 O=C(C1=COC(C=C1)=O)OC AK-94193 [1,1,0,0,0,0|1,0,1]=4 628 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [1,1,0,0,0,0|1,0,0]=3 630 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [1,1,0,0,0,0|0,0,0]=2 632 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [1,1,0,0,0,0|0,0,0]=2 635 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 AK-25008 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [1,1,0,0,0,0|1,0,1]=4 641 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [1,1,0,0,0,0|1,0,1]=4 642 B11R1.22 OC1=CN=C(C=N1)C(=O)OC AK-24812 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.166 BrC1=C(C(=O)O)C=CC(=C1)Cl AK-36919 [1,1,0,0,0,0|1,0,0]=3 644 B11R1.166 BrC1=CN=C(C(=C1)C)C(=O)O AK-26400 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.166 C1=C(C(=CC(=C1)Br)N)C(=O)O AK-34046 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.166 C1=C(C(=CC(=C1)Cl)I)C(O)=O AK-46379 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.166 C1=C(C(=CC(=C1)Cl)N)C(O)=O AK-36798 [1,1,0,0,0,0|1,0,0]=3 648 B11R1.166 C1=C(C(=CC=C1C)B(O)O)Cl AK-39980 [1,1,0,0,0,0|1,0,1]=4 649 B11R1.166 C1=C(C(=CC=C1C)C(=O)O)N AK-25621 [1,1,0,0,0,0|0,0,0]=2 650 B11R1.166 C1=C(C(=CC=C1Cl)C(C)=O)Cl AK-47301 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.166 C1=C(C(=CC=C1N)C(=O)O)C AK-27038 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.166 C1=C(Cl)C=NC(=C1Cl)C(=O)O AK-24701 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.166 C1=C([N+]([O-])=O)C(=CC(=C1)C)Cl AK-53744 [1,1,0,0,0,0|1,0,1]=4 654 B11R1.166 C1=C([N+]([O-])=O)C(=CC(=C1)O)C AK-49132 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.166 C1=CC(=C(C=C1N)Cl)C(O)=O AK-29059 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)F AK-46615 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)O AK-49094 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br AK-45532 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Br AK-26260 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)C AK-47303 [1,1,0,0,0,0|0,0,0]=2 661 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Cl AK-32606 [1,1,0,0,0,0|1,0,0]=3 662 B11R1.166 C1=CC(=CC(=C1C(O)=O)Cl)Cl AK-46538 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)C AK-26324 [1,1,0,0,0,0|0,0,0]=2 664 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)F AK-49138 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)N AK-25984 [1,1,0,0,0,0|1,0,0]=3 666 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)C AK-73066 [1,1,0,0,0,0|0,0,0]=2 667 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)Cl AK-47585 [1,1,0,0,0,0|1,0,0]=3 668 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)F AK-29195 [1,1,0,0,0,0|1,0,0]=3 669 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 AK-75553 [1,1,0,0,0,0|1,0,0]=3 670 B11R1.166 CC(C1=CC=C(Br)C=C1Cl)=O AK-77175 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.166 CC(C1=CC=C(Br)C=C1F)=O AK-46535 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.166 CC(C1=CC=C(Br)C=C1N)=O AK-38008 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.166 CC(C1=CC=C(Br)C=C1O)=O AK-40002 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.166 CC(C1=CC=C(C)C=C1F)=O AK115609 [1,1,0,0,0,0|1,0,0]=3 675 B11R1.166 CC(C1=CC=C(Cl)C=C1Br)=O AK-75637 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.166 CC(C1=CC=C(F)C=C1Cl)=O AK-53695 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.166 CC(C1=CC=C(O)C=C1Br)=O AK-75734 [1,1,0,0,0,0|1,0,0]=3 678 B11R1.166 CC(C1=CC=C(O)C=C1C)=O AK-50197 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.166 CC(C1=CC=C(O)C=C1Cl)=O AK-36102 [1,1,0,0,0,0|1,0,0]=3 680 B11R1.166 CC(C1=CC=C(O)C=C1O)=O AK-50224 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.166 CC1=C(C=CC(=C1)C)B(O)O AK-35632 [1,1,0,0,0,0|1,0,1]=4 682 B11R1.166 CC1=C(C=NC(Cl)=C1)C(O)=O AK-42673 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.166 CC1=CC=C([N+]([O-])=O)C(F)=C1 AK-23702 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.166 CC1=CC=C([N+]([O-])=O)C(N)=C1 AK-35723 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.166 CC1=NC(C)=C(C=N1)C(O)=O AK-36268 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)O AK-25883 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.166 ClC1=CC(=C(C=C1)C(C)=O)F AK-46375 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.166 ClC1=CN=C(C(=C1)C)C(=O)O AK-29698 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.166 FC1=C(C(=O)O)C=CC(=C1)I AK-33039 [1,1,0,0,0,0|1,0,0]=3 690 B11R1.166 FC1=C(C=CC(=C1)C)B(O)O AK-27195 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.166 FC1=NC(=C(C(=O)O)C=C1)C AK-30364 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 AK108398 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 AK-77547 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.166 NC1=C(C(=O)O)C=CC(=N1)Cl AK-31140 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.166 NC1=CC(=C(C=C1)C(C)=O)O AK-34336 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.166 O=C(C1=NC=C(F)C=C1F)O AK-36274 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.166 O=C(C=1C(O)=CC(NC1)=O)O AK-27721 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.166 O=C(N)C1=CC=C(C)C=C1N AK-49754 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.166 O=C(N)C1=CC=C(Cl)C=C1N AK-43520 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.166 O=C(N)C1=CC=C(F)C=C1F AK-86226 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.166 O=C(N)C1=CC=C(I)C=C1Br AK349625 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.166 O=C(O)C1=C(C)N=C(Br)C=C1 AK144236 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 AK-58691 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.166 O=C(O)C1=C(Cl)N=C(C)C=C1 AK-84877 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 AK-25090 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 AK120480 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.166 O=C(O)C1=C(N)N=C(Br)C=C1 AK-77320 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 AK-68352 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Cl AK-40035 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F AK-45932 [1,1,0,0,0,0|1,0,0]=3 711 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I AK-73142 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O AK-44937 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.166 O=C(O)C1=CC=C(C)C=C1Br AK-36340 [1,1,0,0,0,0|0,0,0]=2 714 B11R1.166 O=C(O)C1=CC=C(C)C=C1Cl AK-36338 [1,1,0,0,0,0|0,0,0]=2 715 B11R1.166 O=C(O)C1=CC=C(C)C=C1I AK201253 [1,1,0,0,0,0|0,0,0]=2 716 B11R1.166 O=C(O)C1=CC=C(F)C=C1Br AK-32641 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.166 O=C(O)C1=CC=C(F)C=C1C AK-34672 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.166 O=C(O)C1=CC=C(F)C=C1I AK-29400 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.166 O=C(O)C1=CC=C(F)C=C1N AK-25985 [1,1,0,0,0,0|1,0,0]=3 720 B11R1.166 O=C(O)C1=CC=C(I)C=C1N AK-34047 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.166 O=C(O)C1=CC=C(N)C=C1O AK-46320 [1,1,0,0,0,0|1,0,0]=3 722 B11R1.166 O=C(O)C1=CC=C(O)C=C1C AK-40693 [1,1,0,0,0,0|0,0,0]=2 723 B11R1.166 O=C(O)C1=CC=C(O)C=C1F AK-35989 [1,1,0,0,0,0|0,0,0]=2 724 B11R1.166 O=C(O)C1=CC=C(O)C=C1O AK-88714 [1,1,0,0,0,0|0,0,0]=2 725 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br AK-55073 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl AK161047 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.166 O=C(O)C1=CN=C(C)C=C1C AK-29000 [1,1,0,0,0,0|1,0,0]=3 728 B11R1.166 O=C(O)C1=CN=C(C)C=C1Cl AK-28459 [1,1,0,0,0,0|1,0,0]=3 729 B11R1.166 O=C(O)C1=CN=C(C)C=C1N AK-29804 [1,1,0,0,0,0|1,0,0]=3 730 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Br AK167576 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl AK-26772 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1N AK121862 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.166 O=C(O)C1=CN=C(F)C=C1C AK123501 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.166 O=C(O)C1=CN=C(F)C=C1F AK-26362 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.166 O=C(O)C1=CN=C(N)C=C1C AK-68341 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.166 O=C(O)C1=CN=C(N)C=C1Cl AK153190 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl AK-55097 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl AK-53906 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.166 O=C(O)C1=NC=C(C)C=C1Br AK-76925 [1,1,0,0,0,0|1,0,0]=3 740 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br AK101091 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1N AK120030 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br AK-53675 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.166 O=C([O-])C1=CC=C(N)C=C1O AK154081 [1,1,0,0,0,0|1,0,1]=4 744 B11R1.166 OB(C1=CC=C(O)C=C1C)O AK-29297 [1,1,0,0,0,0|1,0,1]=4 745 B11R1.166 OB(C1=CC=C(O)C=C1Cl)O AK-43746 [1,1,0,0,0,0|1,0,1]=4 746 B11R1.166 OC(=O)C1=C(Br)C=C(I)C=C1 AK-61744 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=N1 AK-53915 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.166 OC(=O)C1=NC=C(Br)C=C1Br AK-30252 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.166 OC(=O)C1=NC=C(F)C=C1Cl AK109963 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.166 OC1=CC(=NC=C1C(=O)O)C AK-25007 [1,1,0,0,0,0|1,0,0]=3 751 B11R1.166 OC1=CC(C)=CC=C1[N+]([O-])=O AK-29443 [1,1,0,0,0,0|1,0,1]=4 752 B11R1.166 OC1=CC(Cl)=C(C=C1)[N+]([O-])=O AK109849 [1,1,0,0,0,0|1,0,1]=4 753 B11R1.166 OC1=CC=C(B(O)O)C(F)=C1 AK-62257 [1,1,0,0,0,0|1,0,1]=4 754 B11R1.166 OC1=CC=C([N+]([O-])=O)C(Br)=C1 AK-76862 [1,1,0,0,0,0|1,0,1]=4 755 B11R1.166 OC1=CC=C([N+]([O-])=O)C(F)=C1 AK-25905 [1,1,0,0,0,0|1,0,1]=4 756 B11R1.166 OC1=CC=C([N+]([O-])=O)C(I)=C1 AK-39967 [1,1,0,0,0,0|1,0,1]=4 757 B11R1.48 O=C(C1=NN(C)C(OC)=C1)O AK-68373 [0,1,0,0,1,0|2,0,0]=4 758 B11R1.50 O=C(C1=CC(OC)=NN1C)O AK-68285 [0,1,0,0,1,0|2,0,0]=4 759 B11R1.175 O=C(C1=CC=C(C(C)C)N1)O AK465872 [0,1,0,0,1,0|2,0,0]=4 760 B13R1.5 O=C(OC)CC1=CC=C(C#N)C=C1 AK-44381 [0,1,0,0,0,1|2,0,0]=4 761 B13R1.5 O=C(OC)CC1=CC=C(C=O)C=C1 AK116482 [0,1,0,0,0,1|2,0,0]=4 762 B13R1.5 O=C(OC)CC1=CC=C(CBr)C=C1 AK122522 [0,1,0,0,0,1|2,0,0]=4 763 B13R1.5 OCC(N)CC1=CC=C(OC)C=C1 AK158853 [0,1,0,0,0,1|1,0,1]=4 764 B13R1.35 COC1=C(N)C=C(NC(C)=O)C=C1 AK-95901 [0,1,0,0,0,1|1,0,0]=3 765 B13R1.35 O=C(O)CC1=CC=C(OC)C(F)=C1 AK-35215 [0,1,0,0,0,1|0,0,0]=2 766 B13R1.35 O=C(O)CC1=CC=C(OC)C(O)=C1 AK-78787 [0,1,0,0,0,1|0,0,0]=2 767 B13R1.36 CC(C1=CC=C(C#N)C=C1)C(O)=O AK148922 [0,1,0,0,0,1|2,0,0]=4 768 B13R1.36 CC(C1=CC=C(CBr)C=C1)C(O)=O AK-94166 [0,1,0,0,0,1|2,0,0]=4 769 B13R1.36 CC(C1=CC=C(OC)C=C1)C(O)=O AK139354 [0,1,0,0,0,1|0,0,0]=2 770 B13R1.36 O=C(O)C(N)C1=CC=C(OC)C=C1 AK-44576 [0,1,0,0,0,1|0,0,0]=2 771 B13R1.36 O=C(O)[C@@H](O)C1=CC=C(OC)C=C1 AK-43949 [0,1,0,0,0,1|0,0,0]=2 772 B13R1.36 O=C(O)[C@H](O)C1=CC=C(OC)C=C1 AK-45069 [0,1,0,0,0,1|0,0,0]=2 773 B13R1.36 OC(C1=CC=C(OC)C=C1)C(O)=O AK-46464 [0,1,0,0,0,1|0,0,0]=2 774 B13R1.142 O=C(O)CC1=CC=C(CCC)C=C1 AK140344 [0,1,0,0,0,1|1,0,0]=3 775 B13R1.585 C1=C(C=CC(=C1)C(=O)O)CC(=O)O AK-44684 [0,1,0,0,0,1|2,0,0]=4 776 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(C)=O AK-54552 [0,1,0,0,0,1|2,0,0]=4 777 B13R1.585 O=C(O)CC1=CC=C(B(O)O)C=C1 AK-93886 [0,1,0,0,0,1|2,0,0]=4 778 B13R1.585 O=C(O)CC1=CC=C(C(N)=N)C=C1 AK-68547 [0,1,0,0,0,1|2,0,0]=4 779 B13R1.585 O=C(O)CC1=CC=C([N+]([O-])=O)C=C1 AK-41234 [0,1,0,0,0,1|2,0,0]=4 780 B13R1.653 FC1=C(C=CC(=C1)OC)CC(=O)O AK-36689 [0,1,0,0,0,1|0,0,0]=2 781 B13R1.95 COC(=O)C1=C(Br)C=C(OC)C=C1 AK-41153 [0,2,0,0,0,0|0,0,0]=2 782 B13R1.95 COC(=O)C1=C(N)C=C(OC)C=C1 AK-44370 [0,2,0,0,0,0|0,0,0]=2 783 B13R1.95 O=C(OC)C1=C(Cl)N=C(OC)C=C1 AK128815 [0,2,0,0,0,0|1,0,0]=3 784 B13R1.95 O=C(OC)C1=CC=C(C#N)C=C1C AK112712 [0,2,0,0,0,0|2,0,0]=4 785 B13R1.95 O=C(OC)C1=CC=C(C#N)C=C1F AK116997 [0,2,0,0,0,0|2,0,0]=4 786 B13R1.95 O=C(OC)C1=CC=C(C=O)C=C1F AK-90622 [0,2,0,0,0,0|2,0,0]=4 787 B13R1.95 O=C(OC)C1=CC=C(CBr)C=C1Br AK-80074 [0,2,0,0,0,0|2,0,0]=4 788 B13R1.95 O=C(OC)C1=CC=C(OC)C=C1O AK-89760 [0,2,0,0,0,0|0,0,0]=2 789 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 AK102538 [0,2,0,0,0,0|1,0,0]=3 790 B13R1.139 O=C(OC)C1=CC=C(CC#N)C=C1 AK-45258 [0,2,0,0,0,0|1,0,1]=4 791 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 AK-68272 [0,2,0,0,0,0|2,0,0]=4 792 B13R1.452 O=C(C1=NC=C(OC)N=C1)OCC AK100389 [0,2,0,0,0,0|2,0,0]=4 793 B13R1.452 O=C(OCC)C1=CC=C(C#C)C=C1 AK-83790 [0,2,0,0,0,0|1,0,1]=4 794 B13R1.452 O=C(OCC)C1=CC=C(C#N)C=C1 AK-76640 [0,2,0,0,0,0|2,0,0]=4 795 B13R1.452 O=C(OCC)C1=CC=C(CN)C=C1 AK312480 [0,2,0,0,0,0|2,0,0]=4 796 B13R1.452 O=C(OCC)C1=CC=C(OC)C=C1 AK114590 [0,2,0,0,0,0|0,0,0]=2 797 B13R1.537 C1=C(C(=O)C)C=CC(=C1)C(OC)=O AK-47491 [0,2,0,0,0,0|1,0,0]=3 798 B13R1.537 C1=CC(=CC=C1C(O)=O)C(OC)=O AK-46603 [0,2,0,0,0,0|0,0,0]=2 799 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AK-79719 [0,2,0,0,0,0|1,0,0]=3 800 B13R1.537 NOC(C1=CC=C([N+]([O-])=O)C=C1)=O AK-76237 [0,2,0,0,0,0|2,0,0]=4 801 B13R1.537 O=C(C1=CC=C(B(O)O)C=C1)OC AK-45488 [0,2,0,0,0,0|1,0,1]=4 802 B13R1.537 O=C(C1=CC=C(N(C)C)C=C1)C=O AK-10023 [0,2,0,0,0,0|1,0,1]=4 803 B13R1.537 O=C(C1=NC=C(C(OC)=O)C=C1)O AK-23793 [0,2,0,0,0,0|1,0,0]=3 804 B13R1.537 O=C(O)C1=CC=C(C(CBr)=O)C=C1 AK-77555 [0,2,0,0,0,0|1,0,0]=3 805 B13R1.537 O=C(OC)C1=CC=C(C(Br)C)C=C1 AK159832 [0,2,0,0,0,0|1,0,0]=3 806 B13R1.537 O=C(OC)C1=CC=C(C(Cl)=O)C=C1 AK-54512 [0,2,0,0,0,0|1,0,0]=3 807 B13R1.537 O=C(OC)C1=CC=C(C(N)=N)C=C1 AK184288 [0,2,0,0,0,0|2,0,0]=4 808 B13R1.537 O=C(OC)C1=CC=C(C(N)C)C=C1 AK157267 [0,2,0,0,0,0|1,0,0]=3 809 B13R1.537 O=C(OC)C1=CC=C([C@@H](N)C)C=C1 AK126757 [0,2,0,0,0,0|1,0,0]=3 810 B13R1.537 O=[N+](C1=CC=C(C(CO)=O)C=C1)[O-] AK124197 [0,2,0,0,0,0|2,0,0]=4 811 B13R1.3088 CCC(C1=CC=C(OC)C(F)=C1)=O AK116127 [0,2,0,0,0,0|1,0,0]=3 812 B13R1.3088 COC(=O)C1=CC(Br)=C(C=O)C=C1 AK100357 [0,2,0,0,0,0|2,0,0]=4 813 B13R1.3088 COC(=O)C1=CC(Cl)=C(C=C1)C#N AK110533 [0,2,0,0,0,0|2,0,0]=4 814 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 AK-77093 [0,2,0,0,0,0|2,0,0]=4 815 B13R1.3088 COC(=O)C1=CN=C(OC)C(Cl)=C1 AK-70260 [0,2,0,0,0,0|1,0,0]=3 816 B13R1.3088 COC(C1=CC(=C(C=C1)OC)O)=O AK-30110 [0,2,0,0,0,0|0,0,0]=2 817 B13R1.3088 O=C(OC)C1=CC=C(C#N)C(C)=C1 AK-79398 [0,2,0,0,0,0|2,0,0]=4 818 B13R1.3088 O=C(OC)C1=CC=C(C#N)C(F)=C1 AK-61304 [0,2,0,0,0,0|2,0,0]=4 819 B13R1.3088 O=C(OC)C1=CC=C(C=O)C(Cl)=C1 AK-51472 [0,2,0,0,0,0|2,0,0]=4 820 B13R1.3088 O=C(OC)C1=CC=C(CBr)C(Cl)=C1 AK-76673 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.3088 O=C(OC)C1=CC=C(CBr)C(F)=C1 AK-46362 [0,2,0,0,0,0|2,0,0]=4 822 B13R1.3088 O=C(OC)C1=CC=C(CC)C(I)=C1 AK133686 [0,2,0,0,0,0|1,0,0]=3 823 B13R1.3088 O=C(OC)C1=CC=C(CO)C(F)=C1 AK137968 [0,2,0,0,0,0|2,0,0]=4 824 B13R1.3088 O=C(OC)C1=CN=C(OC)C(F)=C1 AK128807 [0,2,0,0,0,0|1,0,0]=3 825 B13R1.3088 O=C(OC)C1=CN=C(OC)C(O)=C1 AK159055 [0,2,0,0,0,0|1,0,0]=3 826 B13R1.3088 O=C(OC)C1=NC(Br)=C(OC)C=C1 AK-59851 [0,2,0,0,0,0|1,0,0]=3 827 B13R1.96 O=S(C1=CC=C(OC)C=C1I)(C)=O AK554552 [0,2,0,0,0,0|1,0,1]=4 828 B13R1.338 C1=C(C=CC(=C1)C(O)=O)C(F)(F)F AK-73059 [0,2,0,0,0,0|2,0,0]=4 829 B13R1.338 C1=C(C=CC(=C1)C(O)=O)[S](C)(=O)=O AK-46609 [0,2,0,0,0,0|0,1,0]=3 830 B13R1.338 C1=C(C=CC(=C1)[S](N)(=O)=O)C(O)=O AK-47542 [0,2,0,0,0,0|1,1,0]=4 831 B13R1.338 C1=CC(=CC=C1[S](C)(=O)=O)C(C)=O AK-47477 [0,2,0,0,0,0|1,1,0]=4 832 B13R1.338 CC(C)(C)C1=CC=C(C=N1)C(O)=O AK-64757 [0,2,0,0,0,0|2,0,0]=4 833 B13R1.338 O=C(O)C1=NC=C(S(=O)(C)=O)C=C1 AK-82595 [0,2,0,0,0,0|1,1,0]=4 834 B13R1.338 O=S(O)(C1=CC=C(N(C)C)C=C1)=O AK516753 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.120 C1=C(C(=CC=C1C(=O)O)[N+]([O-])=O)C AK-34623 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.120 C1=C(C(=CC=C1[N+](=O)[O-])C(O)=O)Br AK-33582 [0,2,0,0,0,0|2,0,0]=4 837 B13R1.120 C1=C(C(=CC=C1[N+]([O-])=O)C(=O)O)C AK-31675 [0,2,0,0,0,0|2,0,0]=4 838 B13R1.120 C1=C(C=CC(=C1F)[N+]([O-])=O)C(=O)O AK-10091 [0,2,0,0,0,0|2,0,0]=4 839 B13R1.120 C1=CC(=CC(=C1C(=O)O)O)C(=O)O AK-46566 [0,2,0,0,0,0|2,0,0]=4 840 B13R1.120 ClC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] AK-25910 [0,2,0,0,0,0|2,0,0]=4 841 B13R1.120 O=C(O)C1=CC=C(B(O)O)C=C1F AK143153 [0,2,0,0,0,0|2,0,0]=4 842 B13R1.120 O=C(O)C1=CC=C(C(O)=O)C=C1C AK-82158 [0,2,0,0,0,0|2,0,0]=4 843 B13R1.120 O=C(O)C1=CC=C(C(O)=O)C=C1F AK-53731 [0,2,0,0,0,0|2,0,0]=4 844 B13R1.120 O=C(O)C1=CC=C(C(O)=O)C=C1N AK-45420 [0,2,0,0,0,0|2,0,0]=4 845 B13R1.120 O=C(O)C1=CC=C([C@@H](N)C)C=C1F AK608005 [0,2,0,0,0,0|1,0,0]=3 846 B13R1.120 O=C(O)C1=CC=C([N+]([O-])=O)C(Br)=C1 AK-25248 [0,2,0,0,0,0|2,0,0]=4 847 B13R1.120 O=C(O)C1=CC=C([N+]([O-])=O)C(N)=C1 AK-90431 [0,2,0,0,0,0|2,0,0]=4 848 B13R1.120 O=C(O)C1=CC=C([N+]([O-])=O)C=C1Cl AK-44166 [0,2,0,0,0,0|2,0,0]=4 849 B13R1.120 O=C(O)C1=CC=C([N+]([O-])=O)C=C1F AK-25934 [0,2,0,0,0,0|2,0,0]=4 850 B13R1.120 O=C(O)C1=CC=C([N+]([O-])=O)C=C1I AK136174 [0,2,0,0,0,0|2,0,0]=4 851 B13R1.120 O=C(O)C1=CC=C([N+]([O-])=O)C=C1N AK-22082 [0,2,0,0,0,0|2,0,0]=4 852 B13R1.120 OB(C1=CC=C(C(O)=O)C(Cl)=C1)O AK-45938 [0,2,0,0,0,0|2,0,0]=4 853 B13R1.120 OB(C1=CC=C(C(O)=O)C=C1Cl)O AK-44777 [0,2,0,0,0,0|2,0,0]=4 854 B13R1.120 OB(O)C1=C(F)C=C(C=C1)C(O)=O AK-48542 [0,2,0,0,0,0|2,0,0]=4 855 B13R1.120 OC(=O)C1=CC=C(C(O)=C1)N(=O)=O AK-27003 [0,2,0,0,0,0|2,0,0]=4 856 B13R1.144 CCOC1=C(C)C=C(C=C1)B(O)O AK-42654 [0,2,0,0,0,0|1,0,1]=4 857 B13R1.652 COC1=CC(Br)=C(C=C1O)C(O)=O AK-32462 [0,2,0,0,0,0|0,0,0]=2 858 B13R1.652 COC1=CC(C)=C(C=C1C)B(O)O AK-40415 [0,2,0,0,0,0|1,0,1]=4 859 B13R1.652 NC1=CC([N+]([O-])=O)=C(F)C=C1OC AK144694 [0,2,0,0,0,0|1,0,1]=4 860 B13R1.652 O=C(O)C1=CC(Br)=C(OC)C=C1N AK-80822 [0,2,0,0,0,0|0,0,0]=2 861 B13R1.652 O=[N+](C1=C(F)C=C(OC)C(Br)=C1)[O-] AK174147 [0,2,0,0,0,0|1,0,1]=4 862 B13R1.652 O=[N+](C1=C(I)C=C(OC)C(I)=C1)[O-] AK187901 [0,2,0,0,0,0|1,0,1]=4 863 B13R1.3091 CC(C1=CC=C(OC)C(OC)=C1)=O AK-45918 [0,2,0,0,0,0|1,0,0]=3 864 B13R1.3091 COC1=C(C=C(C=C1)[N+]([O-])=O)C#N AK-45768 [0,2,0,0,0,0|1,0,1]=4 865 B13R1.3091 COC1=CC=C(B(O)O)C=C1CO AK113018 [0,2,0,0,0,0|1,0,1]=4 866 B13R1.3091 O=C(O)C1=CC=C(OC)C(OC)=C1 AK-45550 [0,2,0,0,0,0|0,0,0]=2 867 B13R1.3091 OB(C1=CC=C(OC)C(OC)=C1)O AK-41187 [0,2,0,0,0,0|1,0,1]=4 868 B13R1.3091 OCC1=CC([N+]([O-])=O)=CC=C1OC AK482806 [0,2,0,0,0,0|1,0,1]=4 869 B13R1.3096 CC(C1=CC=C(OC)C(Cl)=C1N)=O AK-81807 [0,2,0,0,0,0|1,0,0]=3 870 B13R1.3096 COC1=C(Br)C(N)=C(C=C1)C(C)=O AK-79644 [0,2,0,0,0,0|1,0,0]=3 871 B13R1.3096 COC1=C(F)C(F)=C(C=C1)B(O)O AK-61604 [0,2,0,0,0,0|1,0,1]=4 872 B13R1.3096 COC1=CC=C([N+]([O-])=O)C(F)=C1F AK-45504 [0,2,0,0,0,0|1,0,1]=4 873 B13R1.3096 NC1=C(C=CC(=C1C)OC)C(C)=O AK-26434 [0,2,0,0,0,0|1,0,0]=3 874 B13R1.3096 O=C(O)C1=CC=C(OC)C(C)=C1C AK141933 [0,2,0,0,0,0|0,0,0]=2 875 B13R1.3380 COC1=C(Br)C=C(C=C1O)C(O)=O AK107632 [0,2,0,0,0,0|0,0,0]=2 876 B13R1.3380 COC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O AK110746 [0,2,0,0,0,0|1,0,1]=4 877 B13R1.3380 COC1=C(F)C=C(C=C1F)C(O)=O AK-34658 [0,2,0,0,0,0|0,0,0]=2 878 B13R1.3380 O=C(O)C1=CC(C)=C(OC)C(C)=C1 AK-34106 [0,2,0,0,0,0|0,0,0]=2 879 B13R1.3380 O=C(O)C1=CC(Cl)=C(C=O)C(Cl)=C1 AK200805 [0,2,0,0,0,0|2,0,0]=4 880 B13R1.3380 O=C(O)C1=CC(Cl)=C(OC)C(Cl)=C1 AK-99816 [0,2,0,0,0,0|0,0,0]=2 881 B13R1.3380 O=C(O)C1=CC(F)=C(C=O)C(F)=C1 AK135760 [0,2,0,0,0,0|2,0,0]=4 882 B13R1.74 C1=CC(=CC=C1C(O)=O)OCCC AK-48907 [0,2,0,0,0,0|0,0,0]=2 883 B13R1.74 O=C(O)C1=CC=C(CCCC)C=C1 AK109039 [0,2,0,0,0,0|1,0,0]=3 884 B13R1.74 O=C(O)C1=CC=C(COCC)C=C1 AK393975 [0,2,0,0,0,0|0,0,0]=2 885 B13R1.74 O=[N+](C1=CC=C(OCCCl)C=C1)[O-] AK-34742 [0,2,0,0,0,0|1,0,1]=4 886 B13R1.385 CCOC1=CC(Cl)=C(C=C1)B(O)O AK-45193 [0,2,0,0,0,0|1,0,1]=4 887 B13R1.385 CCOC1=CC(F)=C(C=C1)B(O)O AK-61741 [0,2,0,0,0,0|1,0,1]=4 888 B13R1.99 C1=C(OC)C=CC(=C1C=O)[N+]([O-])=O AK-24071 [0,2,0,0,0,0|1,0,1]=4 889 B13R1.99 C1=C(OC)C=CC(=C1OC)C(O)=O AK-36853 [0,2,0,0,0,0|0,0,0]=2 890 B13R1.99 C1=CC(=C(C#N)C=C1OC)[N+]([O-])=O AK-28533 [0,2,0,0,0,0|1,0,1]=4 891 B13R1.99 COC1=C(C=CC(=C1)C#N)C(O)=O AK-82247 [0,2,0,0,0,0|2,0,0]=4 892 B13R1.99 COC1=CC(OC)=C(C=C1)C(C)=O AK-79423 [0,2,0,0,0,0|1,0,0]=3 893 B13R1.99 COC1=CC=C(B(O)O)C(CC)=C1 AK151152 [0,2,0,0,0,0|1,0,1]=4 894 B13R1.99 COC1=CC=C(C(O)=O)C(OC)=N1 AK-25481 [0,2,0,0,0,0|1,0,0]=3 895 B13R1.428 COC1=CC(C)=C(B(O)O)C(C)=C1 AK-39925 [0,2,0,0,0,0|1,0,1]=4 896 B13R1.428 COC1=CC(C)=C(C(O)=O)C(C)=C1 AK-34925 [0,2,0,0,0,0|0,0,0]=2 897 B13R1.428 FC1=C(C(=CC(=C1)OC)F)B(O)O AK-40421 [0,2,0,0,0,0|1,0,1]=4 898 B13R1.428 O=C(O)C1=C(C)C=C(C#N)C=C1C AK172813 [0,2,0,0,0,0|2,0,0]=4 899 B13R1.428 O=C(O)C1=C(Cl)C=C(C#N)C=C1Cl AK-61807 [0,2,0,0,0,0|2,0,0]=4 900 B13R1.428 O=C(O)C1=C(F)C=C(C#N)C=C1Cl AK161219 [0,2,0,0,0,0|2,0,0]=4 901 B13R1.428 O=C(O)C1=C(F)C=C(C#N)C=C1F AK-33800 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.428 O=C(O)C1=C(F)C=C(OC)C=C1F AK117551 [0,2,0,0,0,0|0,0,0]=2 903 B11R1.159 BrC1=C(C(=O)O)C=CC=C1C AK-28470 [0,0,1,1,0,0|2,0,0]=4 904 B11R1.159 C1=C(C(=C(C=C1)C)N)C(O)=O AK-35167 [0,0,1,1,0,0|2,0,0]=4 905 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)C AK-26167 [0,0,1,1,0,0|1,0,1]=4 906 B11R1.159 CC1=CC=CC(C(O)=O)=C1I AK-61437 [0,0,1,1,0,0|2,0,0]=4 907 B11R1.159 O=C(O)C1=CC=CC(C)=C1F AK-34640 [0,0,1,1,0,0|2,0,0]=4 908 B11R2.190 C=CC1=CC=C2CCC2=C1 AK113807 [1,0,0,1,0,0|2,0,0]=4 909 B11R2.190 O=CC1=CC=C2CCC2=C1 AK160835 [1,0,0,1,0,0|1,0,0]=3 910 B13R2.2121 BrC1=NC2=C(S1)C=C(C=C2)OC AK-23615 [0,0,0,1,0,1|1,1,0]=4 911 B13R2.2121 C1=CC(=CC2=C1N=C(N)S2)OC AK-26975 [0,0,0,1,0,1|1,1,0]=4 912 B13R2.2121 CC=1NC2=C(C1)C=C(C=C2)OC AK-32805 [0,0,0,1,0,1|2,0,0]=4 913 B13R2.2121 COC1=CC2=C(NC(N)=N2)C=C1 AK-35886 [0,0,0,1,0,1|2,0,0]=4 914 B13R2.2121 COC1=CC2=C(NC(S)=N2)C=C1 AK101104 [0,0,0,1,0,1|1,1,0]=4 915 B13R2.2121 COC1=CC2=C(NC(S2)=O)C=C1 AK-24360 [0,0,0,1,0,1|0,1,0]=3 916 B13R2.2121 COC1=CC2=C(SC(S)=N2)C=C1 AK-35637 [0,0,0,1,0,1|1,1,0]=4 917 B13R2.2121 COC1=CC=C2N=C(Cl)SC2=C1 AK-23628 [0,0,0,1,0,1|1,1,0]=4 918 B13R2.2121 COC1=CC=C2NC(CC2=C1)=O AK-36343 [0,0,0,1,0,1|1,0,0]=3 919 B13R2.2121 O=C1CC2=NC(OC)=CC=C2N1 AK139844 [0,0,0,1,0,1|2,0,0]=4 920 B13R2.2121 S=C1SC2=CC(OC)=CC=C2N1 AK110513 [0,0,0,1,0,1|0,2,0]=4 921 B13R2.2130 C1=CC(=CC2=C1C(CC2)=O)OC AK-29324 [0,1,0,1,0,0|1,0,0]=3 922 B13R2.2130 CC1=NNC2=C1C=CC(OC)=C2 AK-24406 [0,1,0,1,0,0|2,0,0]=4 923 B13R2.2130 COC1=CC2=C(C=C1)C(=O)N=C2 AK-89608 [0,1,0,1,0,0|1,0,0]=3 924 B13R2.2130 IC1=N[NH]C2=CC(=CC=C12)OC AK-23704 [0,1,0,1,0,0|2,0,0]=4 925 B13R2.2130 N#CC1=CC2=C(C(OC2)=O)C=C1 AK-88401 [0,1,0,1,0,0|2,0,0]=4 926 B13R2.2130 O=C1C=CC2=C1C=CC(OC)=C2 AK103210 [0,1,0,1,0,0|1,0,0]=3 927 B13R2.2130 O=C1OCC2=C1C=CC(OC)=C2 AK340709 [0,1,0,1,0,0|0,0,0]=2 928 B13R2.430 C1=C2C(=CC=C1B(O)O)OCC2 AK-26968 [0,1,0,1,0,0|1,0,1]=4 929 B13R2.430 O=C(C1=CC2=C(C=C1)C=CN2)O AK-25192 [0,1,0,1,0,0|1,0,1]=4 930 B13R2.430 O=C(C1=CC2=C(C=C1)C=NN2)O AK-29449 [0,1,0,1,0,0|2,0,0]=4 931 B13R2.430 O=C(C1=CC2=C(NC=C2)C=C1)O AK-28856 [0,1,0,1,0,0|1,0,1]=4 932 B13R2.430 O=C(C1=CC2=C(NCC2)C=C1)O AK-44285 [0,1,0,1,0,0|1,0,0]=3 933 B13R2.430 O=C(C1=CC2=C(NN=C2)C=C1)O AK-26188 [0,1,0,1,0,0|1,0,1]=4 934 B13R2.430 O=C(C1=CC2=C(OC=C2)C=N1)O AK-43733 [0,1,0,1,0,0|1,0,1]=4 935 B13R2.430 O=C(C1=CC=C2N=COC2=C1)O AK-72789 [0,1,0,1,0,0|1,0,1]=4 936 B13R2.430 O=C(C1=CC=C2NC=NC2=C1)O AK-27294 [0,1,0,1,0,0|1,0,1]=4 937 B13R2.430 O=C(C1=CC=C2OCCC2=C1)N AK143641 [0,1,0,1,0,0|1,0,0]=3 938 B13R2.430 O=C(C1=CC=C2OCOC2=C1)O AK-79145 [0,1,0,1,0,0|0,0,0]=2 939 B13R2.430 O=C(C1=CC=C2SC=NC2=C1)O AK-28116 [0,1,0,1,0,0|0,1,1]=4 940 B13R2.430 O=[N+](C1=CC=C2OCCC2=C1)[O-] AK143391 [0,1,0,1,0,0|1,0,1]=4 941 B13R2.430 OB(C1=CC=C2OCOC2=C1)O AK-36961 [0,1,0,1,0,0|1,0,1]=4 942 B13R2.430 OC(=O)C1=CC2=C(C=CO2)C=C1 AK-29522 [0,1,0,1,0,0|1,0,1]=4 943 B13R2.430 OC(=O)C1=CC2=C(OC=C2)C=C1 AK-29581 [0,1,0,1,0,0|0,0,1]=3 944 B13R2.430 OC(=O)C1=CC2=C(OC=N2)C=C1 AK-82316 [0,1,0,1,0,0|0,0,1]=3 945 B13R2.428 CC(C1=CC=C(C2CC2)C=C1)=O AK129380 [0,1,0,1,0,0|2,0,0]=4 946 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 AK-64531 [0,1,0,1,0,0|2,0,0]=4 947 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 AK676644 [0,1,0,1,0,0|2,0,0]=4 948 B9R1.21 COC1=NC=C(S1)C=O AK-27989 [1,0,0,0,1,0|2,0,0]=4 949 B9R1.21 O=CC1=CC=C(SC)S1 AK114412 [1,0,0,0,1,0|1,1,0]=4 950 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [1,0,0,0,1,0|2,0,0]=4 951 B9R1.35 C1=C(C)[NH]N=C1C(O)=O AK-27812 [1,0,0,0,1,0|2,0,0]=4 952 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [1,0,0,0,1,0|2,0,0]=4 953 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [1,0,0,0,1,0|1,0,0]=3 954 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [1,0,0,0,1,0|2,0,0]=4 955 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [1,0,0,0,1,0|2,0,0]=4 956 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [1,0,0,0,1,0|2,0,0]=4 957 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [1,0,0,0,1,0|2,0,0]=4 958 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [1,0,0,0,1,0|1,0,0]=3 959 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [1,0,0,0,1,0|2,0,0]=4 960 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [1,0,0,0,1,0|1,0,0]=3 961 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [1,0,0,0,1,0|2,0,0]=4 962 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [1,0,0,0,1,0|2,0,0]=4 963 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [1,0,0,0,1,0|2,0,0]=4 964 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [1,0,0,0,1,0|2,0,0]=4 965 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [1,0,0,0,1,0|2,0,0]=4 966 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [1,0,0,0,1,0|1,0,0]=3 967 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [1,0,0,0,1,0|2,0,0]=4 968 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [1,0,0,0,1,0|2,0,0]=4 969 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [1,0,0,0,1,0|2,0,0]=4 970 B9R1.35 O=C(C1=CN(C)C=N1)O AK-30010 [1,0,0,0,1,0|2,0,0]=4 971 B9R1.35 O=C(C1=CN(C)N=C1)O AK-39751 [1,0,0,0,1,0|2,0,0]=4 972 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [1,0,0,0,1,0|2,0,0]=4 973 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [1,0,0,0,1,0|1,0,0]=3 974 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [1,0,0,0,1,0|2,0,0]=4 975 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [1,0,0,0,1,0|2,0,0]=4 976 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [1,0,0,0,1,0|2,0,0]=4 977 B9R1.35 O=C(C1=NOC(C)=C1)O AK-25795 [1,0,0,0,1,0|2,0,0]=4 978 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [1,0,0,0,1,0|2,0,0]=4 979 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [1,0,0,0,1,0|2,0,0]=4 980 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [1,0,0,0,1,0|2,0,0]=4 981 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [1,0,0,0,1,0|2,0,0]=4 982 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [1,0,0,0,1,0|2,0,0]=4 983 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [1,0,0,0,1,0|2,0,0]=4 984 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [1,0,0,0,0,1|2,0,0]=4 985 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [1,0,0,0,0,1|1,0,0]=3 986 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [1,0,0,0,0,1|2,0,0]=4 987 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [1,0,0,0,0,1|1,0,0]=3 988 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [1,0,0,0,0,1|1,0,0]=3 989 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [1,0,0,0,0,1|2,0,0]=4 990 B11R1.20 CC(NC1=CC=C(O)N=C1)=O AK152813 [1,0,0,0,0,1|2,0,0]=4 991 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [1,0,0,0,0,1|2,0,0]=4 992 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [1,0,0,0,0,1|2,0,0]=4 993 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [1,0,0,0,0,1|2,0,0]=4 994 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [1,0,0,0,0,1|0,0,0]=2 995 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 AK-48828 [1,0,0,0,0,1|2,0,0]=4 996 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [1,0,0,0,0,1|1,0,0]=3 997 B11R1.20 O=C(O)CC1=CC=C(N)N=C1 AK112112 [1,0,0,0,0,1|2,0,0]=4 998 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [1,0,0,0,0,1|1,0,0]=3 999 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [1,0,0,0,0,1|1,0,0]=3 1000 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [1,0,0,0,0,1|1,0,0]=3 1001 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [1,0,0,0,0,1|0,0,0]=2 1002 B11R1.20 S=C(N)NC1=CC=C(C)C=C1 AK161770 [1,0,0,0,0,1|1,1,0]=4 1003 B11R1.266 C(#N)C1=NC=CC(=C1)C(=O)O AK-29893 [0,0,0,0,1,1|2,0,0]=4 1004 B11R1.266 C1=C(C(=O)O)C=CC=C1CCl AK-34651 [0,0,0,0,1,1|2,0,0]=4 1005 B11R1.266 C1=C(C=CC=C1C(O)=O)C=O AK-45897 [0,0,0,0,1,1|2,0,0]=4 1006 B11R1.266 C1=C(C=CC=C1OC)B(O)O AK-45174 [0,0,0,0,1,1|1,0,1]=4 1007 B11R1.266 C1=CC(=NC(=N1)SC)C(=O)O AK-23650 [0,0,0,0,1,1|1,1,0]=4 1008 B11R1.266 CCC1=CC=CC(=N1)C(O)=O AK-65227 [0,0,0,0,1,1|2,0,0]=4 1009 B11R1.266 COC1=CC(=CN=C1)C(=O)O AK-40655 [0,0,0,0,1,1|0,0,0]=2 1010 B11R1.266 COC1=CC=CC(=C1)C(=N)N AK-16801-12 [0,0,0,0,1,1|2,0,0]=4 1011 B11R1.266 COC1=CC=CC(=N1)C(C)=O AK-27739 [0,0,0,0,1,1|2,0,0]=4 1012 B11R1.266 COC1=NC(=CN=C1)C(O)=O AK-66990 [0,0,0,0,1,1|1,0,0]=3 1013 B11R1.266 COC1=NC=CC(B(O)O)=C1 AK-26317 [0,0,0,0,1,1|1,0,1]=4 1014 B11R1.266 COC1=NC=NC(=C1)C(O)=O AK-86070 [0,0,0,0,1,1|1,0,0]=3 1015 B11R1.266 NCC1=CC=CC(=C1)C(=O)O AK-36663 [0,0,0,0,1,1|2,0,0]=4 1016 B11R1.266 O=C(C1=NC(NC)=CN=C1)O AK-35586 [0,0,0,0,1,1|2,0,0]=4 1017 B11R1.266 O=C(C1=NC=CC(OC)=N1)O AK-37494 [0,0,0,0,1,1|1,0,0]=3 1018 B11R1.266 O=C(O)C1=CC=CC(C#N)=C1 AK-68392 [0,0,0,0,1,1|2,0,0]=4 1019 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AK-35991 [0,0,0,0,1,1|2,0,0]=4 1020 B11R1.266 O=C(O)C1=CC=CC(NC)=C1 AK164024 [0,0,0,0,1,1|1,0,0]=3 1021 B11R1.266 O=C(O)C1=CC=CC(OC)=C1 AK159192 [0,0,0,0,1,1|0,0,0]=2 1022 B11R1.266 O=C(O)C1=CC=NC(C=O)=C1 AK-77221 [0,0,0,0,1,1|2,0,0]=4 1023 B11R1.266 O=C(O)C1=CC=NC(OC)=C1 AK-26853 [0,0,0,0,1,1|0,0,0]=2 1024 B11R1.266 O=C(O)C1=NC(OC)=CC=C1 AK-29968 [0,0,0,0,1,1|1,0,0]=3 1025 B11R1.266 O=C(O)C1=NC=CC(OC)=C1 AK-29096 [0,0,0,0,1,1|0,0,0]=2 1026 B11R1.266 OCC1=CC=CC(=C1)C(O)=O AK-34506 [0,0,0,0,1,1|2,0,0]=4 1027 B13R1.3 C(#N)C1=CC=C(C=C1)CCC(=O)O AK-45844 [0,0,0,0,0,2|2,0,0]=4 1028 B13R1.3 COC1=CC=C(C=CC(O)=O)C=C1 AK-98686 [0,0,0,0,0,2|0,0,0]=2 1029 B13R1.3 O=C(N)NCC1=CC=C(OC)C=C1 AK124246 [0,0,0,0,0,2|1,0,0]=3 1030 B13R1.3 O=C(O)C#CC1=CC=C(OC)C=C1 AK-98790 [0,0,0,0,0,2|0,0,0]=2 1031 B13R1.3 O=C(O)CCC1=CC=C(OC)C=C1 AK-88471 [0,0,0,0,0,2|0,0,0]=2 1032 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 AK-49065 [0,0,0,0,0,2|2,0,0]=4 1033 B13R1.3 O=C(O)COC1=CC=C(C=O)C=C1 AK306098 [0,0,0,0,0,2|2,0,0]=4 1034 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 AK-45551 [0,0,0,0,0,2|2,0,0]=4 1035 B13R1.3 O=C(O)COC1=CC=C(OC)C=C1 AK140534 [0,0,0,0,0,2|0,0,0]=2 1036 B13R1.3 O=C(O)\C=C\C1=CC=C(SC)C=C1 AK305277 [0,0,0,0,0,2|0,1,0]=3 1037 B13R1.3 O=[N+](\C=C\C1=CC=C(OC)C=C1)[O-] AK677721 [0,0,0,0,0,2|1,0,1]=4