0 B10R1.3 BrCC1=CC=C(CBr)C=C1 AK-86161 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.3 C#CC1=CC=C(CC)C=C1 AK-43371 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.3 C(#C)C1=CC=C(C#N)C=C1 AK-48898 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.3 C1=C(C=CC(=C1)C#C)OC AK-47351 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.3 C1=C(C=CC(=C1)CN)C#N AK-33511 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 C1=CC(=CC=C1C#N)C#N AK-49116 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.3 C1=CC(=CC=C1C#N)CBr AK-49481 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.3 C1=NC(=NC=C1C=O)OC AK-24039 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.3 CNC1=CC=C(OC)C=C1 AK-89674 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.3 COC1=CC=C(C=C)C=C1 AK-46470 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.3 COC1=CC=C(CN)C=N1 AK-34433 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.3 COC1=CC=C(CN)C=N1 AK100137 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.3 COC1=CC=C(CO)C=C1 AK-46460 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.3 COC1=CC=C(CO)C=N1 AK-65086 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.3 COC1=CN=C(C#C)C=C1 AK123497 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.3 COC1=CN=C(OC)C=C1 AK161697 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.3 COC1=NC=C(CCl)C=C1 AK100139 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.3 COC1=NC=C(NN)C=C1 AK109318 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.3 COC1=NN=C(OC)C=C1 AK-65085 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.3 CSC1=NC=C(CO)C=N1 AK104870 [0,0,0,0,0,0|2,1,0]=3 20 B10R1.3 N#CC1=CC=C(CN)C=C1 AK-45455 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.3 N#CC1=CC=C(CO)C=C1 AK142802 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.3 N#CC1=CC=C(OC)C=C1 AK-50195 [0,0,0,0,0,0|1,0,1]=2 23 B10R1.3 N#CC1=NC=C(CCl)C=C1 AK187843 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.3 NCC1=CC=C(C#C)C=C1 AK-80240 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.3 NCC1=CC=C(CN)C=C1 AK-76712 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.3 NCC1=CC=C(CO)C=C1 AK-32003 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.3 NNC1=CC=C(C#N)C=C1 AK-45093 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.3 NNC1=CC=C(C=C1)C#N AK103460 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.3 NNC1=CC=C(CC)C=C1 AK-88865 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.3 NNC1=CC=C(OC)C=C1 AK-47322 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.3 O=CC1=CC=C(C#C)C=C1 AK-51699 [0,0,0,0,0,0|1,0,3]=4 32 B10R1.3 O=CC1=CC=C(C#N)C=C1 AK-41243 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.3 O=CC1=CC=C(C=O)C=C1 AK-40107 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.3 O=CC1=CC=C(CCl)C=C1 AK113959 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.3 O=CC1=CN=C(OC)C=C1 AK-36019 [0,0,0,0,0,0|1,0,2]=3 36 B10R1.3 O=CC1=NC=C(CC)C=C1 AK118117 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.3 O=CC1=NC=C(OC)C=C1 AK-34181 [0,0,0,0,0,0|1,0,2]=3 38 B10R1.3 OCC1=CC=C(C#C)C=C1 AK164494 [0,0,0,0,0,0|1,0,1]=2 39 B10R1.3 OCC1=CC=C(C=O)C=C1 AK-77797 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.3 OCC1=CC=C(CBr)C=C1 AK-81957 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.3 OCC1=CC=C(CCl)C=C1 AK-64050 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.3 OCC1=CC=C(CO)C=C1 AK-45211 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.3 OCC1=NC=C(OC)C=C1 AK-33076 [0,0,0,0,0,0|1,0,0]=1 44 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 BrC1=CN=C(C=C1)NC AK-46585 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.1 BrCC1=CN=C(C=C1)Cl AK-28919 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 C1=C(C=CC(=C1)Br)C#C AK-39898 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.1 C1=C(C=CC(=C1)F)C#N AK-44484 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.1 C1=C(C=CC(=N1)C#N)C AK-29901 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 C1=C(C=NC(=C1)CO)Br AK-26386 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 C1=C(C=NC(=N1)OC)Br AK-27180 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 C1=C(N)C=NC(=N1)OC AK-27272 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 C1=C(N=CC(=C1)C#N)C AK-25767 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [1,0,0,0,0,0|0,0,0]=1 60 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 C1=CC(=NC=C1CO)Cl AK-28987 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.1 C1=CC(=NN=C1OC)Br AK-31439 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [1,0,0,0,0,0|0,0,2]=3 66 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.1 CC1=CN=C(C=N1)CO AK-24727 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.1 CC1=CN=C(CCl)C=N1 AK138019 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 CC1=CN=C(CCl)N=C1 AK-76612 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.1 CC1=NC=C(CBr)C=C1 AK139052 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 CC1=NC=C(CBr)C=N1 AK134681 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 CC1=NC=C(CCl)C=C1 AK123163 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 CC1=NN=C(OC)C=C1 AK136314 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.1 CNC1=NC=C(Cl)C=C1 AK123580 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [1,0,0,0,0,0|0,0,0]=1 86 B9R1.1 COC1=CN=C(Br)C=N1 AK-24261 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.1 COC1=CN=C(N)N=C1 AK-31881 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 COC1=NC=C(Cl)C=N1 AK-53370 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 COC1=NC=C(Cl)N=C1 AK-64586 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 COC1=NC=C(I)C=N1 AK143508 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 COC1=NN=C(Cl)C=C1 AK-28238 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 COC1=NN=C(I)C=C1 AK-63985 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 CSC1=CN=C(N)C=C1 AK-40039 [1,0,0,0,0,0|2,1,0]=4 99 B9R1.1 ClC1=CC=C(C=C1)C#N AK-54448 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.1 ClC1=CN=C(CBr)C=C1 AK164355 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 ClC1=NC=C(C=N1)OC AK-29016 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 ClCC1=NC=C(Br)C=C1 AK-47143 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 N#CC1=CC=C(I)C=C1 AK-45950 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.1 N#CC1=CC=C(N)C=C1 AK-41176 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.1 N#CC1=CN=C(O)C=C1 AK-68351 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.1 N(N)C1=CN=C(C=C1)C AK-49534 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 NC1=CC=C(C#C)C=C1 AK-59413 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.1 NC1=CC=C(C=N1)CO AK-29786 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 NC1=CN=C(NC)C=C1 AK-75542 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 NC1=CN=C(NC)C=C1 AK141591 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.1 NC1=NC=C(N=C1)OC AK-24108 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 NCC1=CC=C(Br)N=C1 AK-27657 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 NCC1=CC=C(F)N=C1 AK-67908 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 NCC1=NC=C(Br)C=C1 AK-31901 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 NCC1=NC=C(Br)C=C1 AK142316 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 NCC1=NC=C(Cl)C=C1 AK105180 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 NCC1=NC=C(Cl)C=C1 AK145140 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 NCC1=NC=C(F)C=C1 AK145177 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 NNC1=CC=C(Br)C=C1 AK-26194 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 NNC1=CC=C(Cl)C=C1 AK-41259 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 NNC1=CC=C(Cl)C=C1 AK132992 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 NNC1=CC=C(F)C=C1 AK-85652 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 NNC1=CC=C(I)C=C1 AK-64633 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 O=C1C=CC(CO)=CN1 AK-29768 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [1,0,0,0,0,0|1,0,2]=4 136 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [1,0,0,0,0,0|1,0,2]=4 138 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [1,0,0,0,0,0|0,0,2]=3 139 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [1,0,0,0,0,0|1,0,2]=4 140 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [1,0,0,0,0,0|1,0,1]=3 141 B9R1.1 OC1=CC=C(C=C1)C#N AK-44095 [1,0,0,0,0,0|1,0,1]=3 142 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [1,0,0,0,0,0|1,0,0]=2 143 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.1 OC1=NN=C(CN)C=C1 AK601362 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.1 OCC1=CC=C(Br)N=C1 AK-28751 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [1,0,0,0,0,0|0,0,0]=1 148 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.1 OCC1=CC=C(Cl)N=N1 AK100622 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 OCC1=CC=C(F)N=C1 AK-76831 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [1,0,0,0,0,0|1,0,0]=2 153 B9R1.1 OCC1=CN=C(C)N=C1 AK-25033 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.1 OCC1=CN=C(Cl)N=C1 AK-64258 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 OCC1=CN=C(N)N=C1 AK117617 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 OCC1=NC=C(Br)C=N1 AK-78448 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 OCC1=NC=C(Cl)C=C1 AK136128 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.1 OCC1=NC=C(Cl)N=C1 AK-43110 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 OCC1=NC=C(F)C=C1 AK-36421 [1,0,0,0,0,0|2,0,0]=3 160 B11R1.3 BrCC1=CC=C(C=C1)B(O)O AK-32249 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.3 C(#C)C1=CC=C(C(=O)O)C=C1 AK-44236 [0,1,0,0,0,0|1,0,2]=4 162 B11R1.3 C1=C(C=CC(=C1)C#N)B(O)O AK-44971 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.3 C1=C(C=CC(=C1)C=O)C(O)=O AK-45367 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.3 C1=C(C=CC(=C1)CO)B(O)O AK-47289 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.3 C1=C(C=CC(=C1)OC)B(O)O AK-39804 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.3 C1=C(N(C)C)C=CC(=C1)C=O AK-72833 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.3 C1=CC(=CC=C1[N+](=O)[O-])CO AK-46675 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.3 CC(C)C1=CC=C(CN)C=C1 AK-61820 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.3 CC(C1=CC=C(OC)N=C1)=O AK-76404 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [0,1,0,0,0,0|0,1,2]=4 176 B11R1.3 CCC1=CN=C(C=C1)C(O)=O AK-29521 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [0,1,0,0,0,0|0,0,0]=1 180 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [0,1,0,0,0,0|0,0,0]=1 181 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.3 COC1=CN=C(C=N1)C(=O)O AK-25141 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.3 N#CC1=CC=C([C@@H](N)C)C=C1 AK133451 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.3 N#CC1=CC=C([C@H](N)C)C=C1 AK133444 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.3 N=C(N)C1=CC=C(OC)C=C1 AK-98683 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.3 N=C(N)C1=CN=C(OC)C=C1 AK-76650 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.3 O=C(N)C1=CC=C(CN)C=C1 AK155450 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [0,1,0,0,0,0|0,0,2]=3 191 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-79152 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-88500 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [0,1,0,0,0,0|0,0,1]=2 196 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 AK123526 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 AK127091 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.3 OB(C1=CC=C(C=C)C=C1)O AK-45734 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.3 OB(C1=CC=C(C=O)C=C1)O AK-45038 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.3 OB(C1=CN=C(OC)C=C1)O AK-25476 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.3 OB(C1=CN=C(OC)N=C1)O AK-26204 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.3 OCC1=NC=C(C=C1)[N+]([O-])=O AK-76747 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.3 S=C(C1=CC=C(OC)N=C1)N AK-45169 [0,1,0,0,0,0|1,1,1]=4 204 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.83 BrCCC1=CC=C(C=C1)C#N AK-36209 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.83 C(#C)C1=CC=C(C=C1)CC#N AK-46564 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.83 C(C)OC1=CC=C(C=C1)C#C AK-43544 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.83 C(CC)C1=CC=C(C=C1)C#C AK-45627 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.83 C1=CC(=CC=C1OC)CNC AK-16703 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.83 CCC1=CN=C(CCO)C=C1 AK-40455 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.83 CCNC1=CC=C(C=O)C=C1 AK-80937 [0,1,0,0,0,0|1,0,2]=4 212 B11R1.83 CNCC1=CC=C(C=C1)C#N AK-89888 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.83 CNCC1=CC=C(CC)C=C1 AK-78778 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.83 COC1=CC=C(C=CC)C=C1 AK111252 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.83 COC1=CC=C(CCO)C=C1 AK-53969 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.83 COC1=CC=C(CNC)C=C1 AK-16702 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.83 COC1=CN=C(CCN)C=C1 AK160805 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 AK-93416 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.83 N#CCC1=CC=C(C#N)C=C1 AK307737 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.83 N#CCC1=NC=C(OC)C=C1 AK161991 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.83 NCC1=CC=C(CCC)C=C1 AK-79061 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.83 NCC1=CC=C(OCC)C=C1 AK116322 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.83 NCCC1=CC=C(C#N)C=C1 AK-33612 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.83 NNCC1=CC=C(OC)C=C1 AK-33977 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.83 O=CC1=CC=C(CCC)C=C1 AK115629 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.83 O=CC1=CN=C(OCC)C=C1 AK-62192 [0,1,0,0,0,0|1,0,2]=4 227 B11R1.83 O=CCC1=CC=C(OC)C=C1 AK-44388 [0,1,0,0,0,0|0,0,1]=2 228 B11R1.83 OCCC1=CC=C(C=O)C=C1 AK-82074 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.83 ONCC1=CC=C(OC)C=C1 AK123262 [0,1,0,0,0,0|0,0,0]=1 230 B11R1.83 [NH3+]OCC1=CC=C(OC)C=C1 AK-96413 [0,1,0,0,0,0|0,0,0]=1 231 B11R1.279 BrC1=C(C#N)C=CC(=C1)OC AK-40998 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.279 BrC1=C(C=O)C=CC(=C1)OC AK-35147 [0,1,0,0,0,0|0,0,2]=3 233 B11R1.279 BrCC1=C(Br)C=C(C=C1)C#N AK-76393 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.279 C1=C(C(=CC=C1C=O)OC)C AK-42538 [0,1,0,0,0,0|0,0,2]=3 235 B11R1.279 C1=C(C(=CC=C1OC)C=O)C AK-35468 [0,1,0,0,0,0|0,0,2]=3 236 B11R1.279 C1=C(C=CC(=C1F)C=O)OC AK-27171 [0,1,0,0,0,0|0,0,2]=3 237 B11R1.279 C1=C(C=CC(=C1F)OC)C=O AK-34809 [0,1,0,0,0,0|0,0,2]=3 238 B11R1.279 C1=C(C=CC(=C1O)C=O)OC AK-26247 [0,1,0,0,0,0|0,0,2]=3 239 B11R1.279 C1=C(C=CC(=C1O)OC)CO AK-46780 [0,1,0,0,0,0|0,0,0]=1 240 B11R1.279 CC1=CC(CCl)=CC=C1OC AK117491 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 AK-71229 [0,1,0,0,0,0|1,0,2]=4 242 B11R1.279 COC1=C(C=C(C=C1)OC)O AK-75677 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.279 COC1=C(Cl)C=C(C=C1)C#N AK-45330 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 AK-87995 [0,1,0,0,0,0|0,0,2]=3 245 B11R1.279 COC1=C(N)C=C(CO)C=C1 AK-80791 [0,1,0,0,0,0|0,0,0]=1 246 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 AK-89840 [0,1,0,0,0,0|1,0,2]=4 247 B11R1.279 COC1=CC=C(CBr)C=C1Cl AK-46361 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.279 COC1=CC=C(OC)C(Br)=C1 AK-44610 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.279 COC1=CC=C(OC)C(F)=C1 AK-53728 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.279 CSC1=NC(N)=C(CO)C=N1 AK-26818 [0,1,0,0,0,0|2,1,0]=4 251 B11R1.279 ClC1=C(C=O)C=CC(=C1)OC AK-64556 [0,1,0,0,0,0|0,0,2]=3 252 B11R1.279 N#CC1=CC=C(CBr)C(F)=C1 AK-37828 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.279 N#CC1=CC=C(CBr)C=C1F AK-68686 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.279 N#CC1=CC=C(CO)C(Br)=C1 AK123427 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.279 N#CC1=CC=C(CO)C=C1F AK-30948 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.279 N#CC1=CC=C(NC)C(N)=C1 AK-50008 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.279 N#CC1=CC=C(OC)C(Br)=C1 AK-32943 [0,1,0,0,0,0|1,0,1]=3 258 B11R1.279 N#CC1=CC=C(OC)C(F)=C1 AK-78685 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.279 N#CC1=CC=C(OC)C(N)=C1 AK-40956 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.279 N#CC1=CC=C(OC)C=C1C AK-86230 [0,1,0,0,0,0|1,0,1]=3 261 B11R1.279 N#CC1=CC=C(OC)C=C1Cl AK-33068 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.279 N#CC1=CC=C(OC)C=C1N AK-34954 [0,1,0,0,0,0|1,0,1]=3 263 B11R1.279 N#CC1=CC=C(OC)C=C1O AK-26764 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.279 NC1=CC(CC)=CC=C1OC AK456630 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.279 NCC1=CC=C(OC)C(Cl)=C1 AK-16614 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.279 NCC1=CC=C(OC)C(F)=C1 AK117550 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.279 NNC1=CC=C(OC)C=C1F AK-86781 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.279 O=CC1=C(Br)N=C(OC)C=C1 AK104750 [0,1,0,0,0,0|1,0,2]=4 269 B11R1.279 O=CC1=CC=C(OC)C(Br)=C1 AK-79107 [0,1,0,0,0,0|0,0,2]=3 270 B11R1.279 O=CC1=CC=C(OC)C(I)=C1 AK-81859 [0,1,0,0,0,0|0,0,2]=3 271 B11R1.279 O=CC1=CC=C(OC)C(N)=C1 AK-34800 [0,1,0,0,0,0|0,0,2]=3 272 B11R1.279 O=CC1=CC=C(OC)C(O)=C1 AK-26987 [0,1,0,0,0,0|0,0,2]=3 273 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 AK-76983 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.279 O=CC1=CN=C(OC)C=C1C AK-33020 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.279 OC1=C(C=CC(=C1)C#N)OC AK-39764 [0,1,0,0,0,0|1,0,1]=3 276 B11R1.279 OC1=CC(CC)=CC=C1C=O AK209435 [0,1,0,0,0,0|1,0,2]=4 277 B11R1.279 OCC1=CC=C(OC)C(Br)=C1 AK-34956 [0,1,0,0,0,0|0,0,0]=1 278 B11R1.279 OCC1=CC=C(OC)N=C1Cl AK167661 [0,1,0,0,0,0|1,0,0]=2 279 B11R2.190 C=CC1=CC=C2CCC2=C1 AK113807 [0,0,0,1,0,0|2,0,1]=4 280 B11R2.190 O=CC1=CC=C2CCC2=C1 AK160835 [0,0,0,1,0,0|1,0,2]=4 281 B11R2.190 OCC1=CC=C2C=CC2=C1 AK163274 [0,0,0,1,0,0|1,0,1]=3 282 B9R1.21 C1=C(OC(=C1)C=O)CO AK-26249 [0,0,0,0,1,0|3,0,0]=4 283 B9R1.21 COC1=CC=C(OC)S1 AK160909 [0,0,0,0,1,0|3,0,0]=4 284 B9R1.21 OCC1=CC=C(CO)O1 AK-68226 [0,0,0,0,1,0|3,0,0]=4 285 B8R0.9 O=C(O)\C=C\C(OC)=O AK114632 [1,0,1,0,0,0|2,0,0]=4 286 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 C1=CN=CC=C1OC AK-54547 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 CNC1=CC=CN=C1 AK-72893 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 COC1=CC=CN=C1 AK-76565 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 COC1=CC=CN=N1 AK-28954 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 COC1=CN=CN=C1 AK-31068 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|1,0,1]=4 298 B8R1.2 NCC1=CC=NC=C1 AK-25866 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 NCC1=CC=NC=C1 AK-50006 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|1,0,0]=3 303 B8R1.2 OCC1=CC=NC=C1 AK-44706 [2,0,0,0,0,0|1,0,0]=3 304 B8R1.2 OCC1=CC=NC=C1 AK175384 [2,0,0,0,0,0|1,0,0]=3 305 B8R1.2 OCC1=CN=CN=C1 AK-32022 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|1,0,0]=3 307 B8R1.2 OCC1=NC=CC=N1 AK-25156 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.2 OCC1=NC=NC=C1 AK-31889 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|1,0,0]=3 310 B8R1.3 BrC1=CC=C(Br)C=C1 AK-77031 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.3 C1=C(Br)N=CC(=C1)C AK-25828 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.3 C1=C(C=NC(=C1)C)N AK-26763 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.3 C1=C(C=NC(=C1)Cl)O AK-25948 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 C1=C(O)C=NC(=C1)C AK-27703 [2,0,0,0,0,0|1,0,0]=3 315 B8R1.3 C1=CC(=CC=C1Br)I AK-46448 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.3 C1=CC(=CC=C1I)I AK-72778 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 C1=CC(=NC=C1Br)C AK-25801 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.3 C1=NC(=CN=C1C)C AK-33017 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.3 CC1=CC=C(I)C=C1 AK-95999 [2,0,0,0,0,0|1,0,0]=3 320 B8R1.3 CC1=CN=C(Cl)C=C1 AK-33822 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.3 CC1=NC=C(C=N1)O AK-28497 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.3 CC1=NC=C(Cl)C=C1 AK-36211 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.3 CC1=NC=C(F)C=C1 AK-25749 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.3 CC1=NC=C(I)C=C1 AK-36128 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.3 CC1=NN=C(C)C=C1 AK130999 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.3 ClC1=CC=C(Br)C=C1 AK-98696 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.3 FC1=CC=C(I)C=C1 AK-48799 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.3 FC1=NC=C(C=C1)C AK-25638 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.3 IC1=CC=C(Cl)C=C1 AK-50754 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.3 NC1=CC=C(I)C=C1 AK-49877 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.3 NC1=CC=C(O)C=N1 AK-40830 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.3 NC1=CN=C(O)C=C1 AK-48682 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.3 OC1=CC=C(F)C=C1 AK-48196 [2,0,0,0,0,0|1,0,0]=3 334 B8R1.3 OC1=CC=C(F)N=C1 AK-23515 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.3 OC1=CC=C(N)C=C1 AK109176 [2,0,0,0,0,0|1,0,0]=3 336 B8R1.3 OC1=CC=C(N)N=C1 AK-28002 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.3 OC1=CN=C(Br)C=C1 AK-25164 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.3 OC1=CNC(=O)C=C1 AK-86050 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.3 OC1=NC=C(Br)C=C1 AK-28009 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.3 OC1=NC=C(C)C=C1 AK-25236 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.3 OC1=NN=C(O)C=C1 AK-86202 [2,0,0,0,0,0|2,0,0]=4 342 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.1 C1=C(C=CC(=C1)F)CC#N AK-46633 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.1 N#CCC1=CC=C(I)C=C1 AK121967 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.1 NC1=CC=C(CC#N)C=C1 AK100092 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.13 CC(N)C1=CC=C(C)N=C1 AK684509 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.13 CC(N)C1=NC=C(C)C=C1 AK158768 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.13 CC1=NC=C(C=C1)B(O)O AK-27039 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.13 FC(C1=CC=C(Cl)C=C1)F AK-77798 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.13 N=C(N)C1=CC=C(O)C=C1 AK-16801 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [1,1,0,0,0,0|0,0,2]=4 428 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [1,1,0,0,0,0|0,0,1]=3 429 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [1,1,0,0,0,0|0,0,2]=4 436 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.13 OB(C1=CC=C(O)N=C1)O AK-40749 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [1,1,0,0,0,0|1,1,0]=4 441 B10R1.13 OC1=CC=C(C(=S)N)C=C1 AK-21819 [1,1,0,0,0,0|0,1,1]=4 442 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [1,1,0,0,0,0|0,0,0]=2 444 B10R1.13 OC1=CC=C(C=C1)C(F)F AK-76781 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.25 BrC1=C(C#N)C=CC(=C1)C AK-35136 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.25 BrC1=C(C=CC(=C1)O)OC AK-25497 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.25 BrC1=C(CBr)C=CC(=C1)F AK-35842 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.25 BrC1=CC(=C(C=C1)OC)C AK-54791 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.25 BrC1=CC(=CN=C1OC)Br AK-28772 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.25 BrC1=CN=C(C(=C1)Cl)OC AK-36542 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.25 C1=C(C(=CC(=C1)C)N)C#N AK-34455 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.25 C1=C(C(=NC(=N1)C)N)CO AK-29486 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.25 C1=CC(=CC(=C1C#N)Cl)C AK-34090 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.25 C1=CC(=CC(=C1C#N)F)C AK-36561 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.25 CC1=CC(Br)=CC=C1CBr AK-59622 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.25 CC1=CC(Br)=CC=C1CF AK687461 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.25 CC1=CC(Br)=CN=C1OC AK-39075 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 AK-76787 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.25 CC1=CC(I)=CC=C1OC AK135933 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.25 CC1=CC=C(C(Br)=C1)NC AK189204 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 AK156211 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.25 CC1=CC=C(OC)C(Br)=N1 AK-59810 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.25 CC1=CC=C(OC)C(Cl)=N1 AK150744 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.25 CC1=CN=C(CBr)C(C)=C1 AK147252 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.25 CC1=CN=C(CCl)C(C)=C1 AK103627 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.25 CC1=CN=C(CO)C(C)=C1 AK102022 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.25 CC1=CN=C(OC)C(Br)=C1 AK-40365 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.25 CC1=CN=C(OC)C(C)=N1 AK-55018 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.25 CC1=CN=C(OC)C(Cl)=C1 AK133238 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.25 COC1=C(Br)C=C(F)C=N1 AK-39228 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.25 COC1=C(F)C=C(Br)C=C1 AK-34268 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.25 COC1=C(F)C=C(N)C=N1 AK-26405 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.25 COC1=C(N)C=C(I)C=C1 AK-36369 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.25 COC1=C(O)C=C(Cl)C=C1 AK-81614 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.25 COC1=C(O)C=C(N)C=C1 AK-63517 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.25 COC1=CC=C(Br)C=C1I AK120134 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.25 COC1=CC=C(Br)N=C1Br AK126934 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.25 COC1=CC=C(Br)N=C1N AK-55165 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.25 COC1=CC=C(Cl)C=C1Br AK-35821 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.25 COC1=CC=C(Cl)C=C1I AK-26072 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.25 COC1=CC=C(F)C=C1Br AK-35213 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.25 COC1=CC=C(I)C=C1F AK143337 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.25 COC1=CC=C(I)N=C1Br AK155410 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.25 COC1=CN=C(Cl)C=C1Br AK-90892 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.25 COC1=NC=C(Br)C=C1F AK-33037 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.25 COC1=NC=C(Br)C=C1I AK112522 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.25 COC1=NC=C(Cl)C=C1Br AK-30230 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.25 COC1=NC=C(Cl)C=C1Cl AK104164 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.25 COC1=NC=C(F)C=C1N AK100186 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.25 ClC1=C(C=O)C=CC(=C1)O AK-24943 [1,1,0,0,0,0|0,0,2]=4 493 B10R1.25 FC1=C(C=O)C=CC(=C1)O AK-25823 [1,1,0,0,0,0|0,0,2]=4 494 B10R1.25 FC1=CC(=C(C=C1)OC)O AK-36233 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.25 FC1=CC=C(CBr)C(Cl)=C1 AK-86341 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.25 N#CC1=CC=C(C)C=C1C AK326723 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.25 N#CC1=CC=C(O)C=C1C AK136307 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.25 N#CC1=CC=C(O)C=C1Cl AK-34728 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.25 N#CC1=CC=C(O)C=C1F AK-36467 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.25 N#CC1=CC=C(O)C=C1O AK-86504 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.25 NC1=CC(Br)=C(OC)N=C1 AK-35515 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.25 NC1=CC(Br)=CC=C1CC AK153468 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.25 NC1=CC(Br)=CC=C1NC AK149385 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.25 NC1=CC(Br)=CC=C1OC AK-39543 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.25 NC1=CC(Br)=CN=C1OC AK-27997 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.25 NC1=CC(C)=C(OC)N=C1 AK-44782 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.25 NC1=CC(Cl)=C(OC)N=C1 AK123524 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.25 NC1=CC(Cl)=CC=C1CC AK476943 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.25 NC1=CC(Cl)=CC=C1NC AK138294 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.25 NC1=CC(F)=CC=C1OC AK-33948 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.25 NC1=CC=C(OC)C(Br)=C1 AK-33883 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.25 NC1=CC=C(OC)C(C)=C1 AK-33185 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.25 NC1=CC=C(OC)C(F)=C1 AK-25856 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.25 NC1=CC=C(OC)C(I)=C1 AK-39498 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.25 NC1=CC=C(OC)C(I)=C1 AK-61933 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.25 NC1=CC=C(OC)C(N)=C1 AK-93491 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 AK-89648 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.25 NCC1=CC=C(Br)C=C1C AK156403 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.25 NCC1=CC=C(Br)C=C1C AK431800 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.25 NCC1=CC=C(Br)C=C1F AK-40759 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.25 NCC1=CC=C(Cl)C=C1Br AK601695 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.25 NCC1=CC=C(F)C=C1F AK-61922 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.25 NNC1=CC=C(C)C=C1C AK-35813 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.25 NNC1=CC=C(C)C=C1Cl AK-36824 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.25 O=CC1=CC=C(C)C=C1Br AK-36471 [1,1,0,0,0,0|0,0,2]=4 526 B10R1.25 O=CC1=CC=C(C)C=C1C AK-51228 [1,1,0,0,0,0|0,0,2]=4 527 B10R1.25 O=CC1=CC=C(C)C=C1Cl AK-51348 [1,1,0,0,0,0|0,0,2]=4 528 B10R1.25 O=CC1=CC=C(C)C=C1F AK-25429 [1,1,0,0,0,0|0,0,2]=4 529 B10R1.25 O=CC1=CC=C(C)C=C1O AK-30310 [1,1,0,0,0,0|0,0,2]=4 530 B10R1.25 O=CC1=CC=C(O)C=C1O AK-50262 [1,1,0,0,0,0|0,0,2]=4 531 B10R1.25 OC1=C(C#N)C=CC(=C1)C AK-33832 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.25 OC1=CC(=C(C=O)C=C1)C AK-24767 [1,1,0,0,0,0|0,0,2]=4 533 B10R1.25 OC1=CC(Br)=C(C=O)C=C1 AK-99903 [1,1,0,0,0,0|0,0,2]=4 534 B10R1.25 OC1=CC(Br)=C(OC)N=C1 AK137299 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.25 OC1=CC(Br)=CC=C1CN AK154932 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.25 OC1=CC(Br)=CC=C1OC AK159188 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.25 OC1=CC(I)=C(C=O)C=C1 AK100265 [1,1,0,0,0,0|0,0,2]=4 538 B10R1.25 OC1=CC=C(OC)C(F)=C1 AK-35214 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.25 OC1=CC=C(OC)C(O)=C1 AK114475 [1,1,0,0,0,0|0,0,0]=2 540 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 AK-76830 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 AK-46376 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.25 OCC1=C(N)C=C(Cl)N=C1 AK102054 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.25 OCC1=CC=C(Br)C=C1C AK-59623 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.25 OCC1=CC=C(Br)C=C1N AK-30952 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.25 OCC1=CC=C(Br)N=C1Br AK-88145 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.25 OCC1=CC=C(C)C=C1C AK-61593 [1,1,0,0,0,0|0,0,0]=2 547 B10R1.25 OCC1=CC=C(Cl)C=C1Cl AK-86288 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.25 OCC1=CC=C(Cl)N=C1Cl AK-91722 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.25 OCC1=CC=C(F)N=C1C AK117653 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.25 OCC1=CC=C(N)C=C1C AK143112 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.25 OCC1=NC=C(Cl)C=C1Br AK159075 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.176 BrC1=C(C=C(C=C1)OC)F AK-35245 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.176 BrC1=C(C=C(C=C1)OC)O AK-35950 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.176 BrC1=C(C=CC(=C1)C#N)C AK-35137 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.176 BrC1=C(C=CC(=C1)OC)F AK-61342 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.176 BrC1=C(N)C=CC(=C1)OC AK-34684 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.176 BrC1=CC=C(N=C1C)OC AK-29800 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.176 BrCC1=CC=C(Br)C(Br)=C1 AK150724 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.176 C1=C(C(=CC=C1C#N)O)Br AK-34248 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.176 C1=C(C(=CC=C1C=O)O)C AK-45466 [1,1,0,0,0,0|0,0,2]=4 561 B10R1.176 C1=C(C(=CC=C1C=O)O)Cl AK-44952 [1,1,0,0,0,0|0,0,2]=4 562 B10R1.176 C1=C(C(=CC=C1CO)Cl)Cl AK-46784 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.176 C1=C(C(=CC=C1OC)N)F AK-35251 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.176 C1=C(C(=CC=C1OC)O)Cl AK-33801 [1,1,0,0,0,0|0,0,0]=2 565 B10R1.176 C1=C(C=CC(=C1Br)O)CO AK-45658 [1,1,0,0,0,0|0,0,0]=2 566 B10R1.176 C1=C(C=CC(=C1N)C)OC AK-35382 [1,1,0,0,0,0|0,0,0]=2 567 B10R1.176 C1=C(C=CC(=C1O)C)C#N AK-50420 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.176 C1=C(C=CC(=C1O)O)C=O AK-39223 [1,1,0,0,0,0|0,0,2]=4 569 B10R1.176 C1=C(NN)C=C(C(=C1)C)C AK-47561 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.176 C1=CC(=CC(=C1C)N)C#N AK-35827 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 AK-39755 [1,1,0,0,0,0|0,0,2]=4 572 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 AK104782 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.176 CC1=C(Br)C=C(CO)C=C1 AK104804 [1,1,0,0,0,0|0,0,0]=2 574 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 AK-77564 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.176 CC1=C(C)C=C(C=C1)C#N AK-87663 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.176 CC1=C(F)C=C(NN)C=C1 AK-33474 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.176 CC1=CC(CC)=CC=C1C AK135930 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.176 CC1=CC(CC)=CC=C1I AK149749 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.176 CC1=CC(OC)=CC=C1Br AK-79399 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.176 CC1=CC(OC)=CN=C1Cl AK126278 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.176 CC1=CC=C(OC)C=C1Cl AK-35608 [1,1,0,0,0,0|0,0,0]=2 582 B10R1.176 CC1=CC=C(OC)C=C1F AK-35069 [1,1,0,0,0,0|0,0,0]=2 583 B10R1.176 CC1=CN=C(OC)C=C1N AK291820 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.176 CC1=NC=C(OC)C=C1Br AK133057 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.176 COC1=CC(Br)=C(Br)C=C1 AK-86954 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.176 COC1=CC(Br)=C(C)C=C1 AK-87529 [1,1,0,0,0,0|0,0,0]=2 587 B10R1.176 COC1=CC(Br)=C(I)C=C1 AK-57049 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.176 COC1=CC(C)=C(N)C=N1 AK-56992 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.176 COC1=CC(N)=C(F)C=C1 AK-35882 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.176 COC1=CC(O)=C(I)C=C1 AK104921 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.176 COC1=CC=C(Br)C(Br)=N1 AK-80748 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.176 COC1=CC=C(Br)C(I)=C1 AK110455 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.176 COC1=CC=C(Cl)C(Br)=C1 AK-34474 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 AK-78263 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.176 COC1=CC=C(Cl)C(F)=C1 AK-53797 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.176 COC1=CC=C(F)C(Cl)=C1 AK113602 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.176 COC1=CC=C(N)C(Br)=N1 AK-41349 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.176 COC1=CC=C(N)C(Cl)=N1 AK-27822 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.176 COC1=CC=C(N)C(N)=C1 AK-46468 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.176 COC1=CC=C(O)C(C)=C1 AK-44144 [1,1,0,0,0,0|0,0,0]=2 601 B10R1.176 COC1=CN=C(Cl)C(N)=C1 AK-51193 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.176 COC1=NC(C)=C(F)C=C1 AK-25872 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.176 COC1=NC=C(Br)C(C)=C1 AK-29694 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.176 COC1=NC=C(Br)C(Cl)=C1 AK-40645 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.176 COC1=NC=C(Br)C(N)=C1 AK104901 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.176 COC1=NC=C(Cl)C(Br)=C1 AK-93164 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.176 ClC1=C(C=C(CBr)C=C1)F AK-53882 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.176 FC1=CC(CBr)=CC=C1Br AK-53889 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.176 N#CC1=CC=C(C)C(Cl)=C1 AK-32112 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.176 N#CC1=CC=C(C)C(F)=C1 AK-27738 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.176 N#CC1=CC=C(O)C(C)=C1 AK167047 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.176 N#CC1=CC=C(O)C(F)=C1 AK-35068 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.176 N#CC1=CC=C(O)C(O)=C1 AK-62493 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.176 NC1=C(O)C=CC(=C1)C#N AK-33302 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.176 NC1=CC(OC)=CC=C1Br AK-35788 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.176 NC1=CC(OC)=CC=C1Cl AK-34292 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.176 NC1=CC(OC)=CC=C1I AK-33440 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.176 NC1=CC(OC)=CN=C1Br AK-37292 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.176 NC1=CC(OC)=NC=C1F AK-68346 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.176 NC1=CC=C(CC)C=C1F AK112540 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.176 NC1=CC=C(CC)C=C1N AK112821 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.176 NC1=CC=C(N=C1C)OC AK-26061 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.176 NC1=CC=C(OC)C=C1C AK-32687 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.176 NC1=CC=C(OC)C=C1Cl AK-61306 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.176 NC1=CC=C(OC)C=C1F AK130572 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.176 NC1=CC=C(OC)C=C1I AK-33894 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.176 NC1=CC=C(OC)N=C1C AK109424 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.176 NC1=NC(OC)=CC=C1Br AK-68340 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.176 NCC1=CC=C(Br)C(Cl)=C1 AK685441 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.176 NCC1=CC=C(Br)C(F)=C1 AK161180 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.176 NCC1=CC=C(Cl)C(F)=C1 AK-86434 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.176 O=C1C=C(CO)OC=C1O AK-84878 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.176 O=CC1=CC=C(C)C(C)=C1 AK-88497 [1,1,0,0,0,0|0,0,2]=4 634 B10R1.176 O=CC1=CC=C(C)C(Cl)=C1 AK-61770 [1,1,0,0,0,0|0,0,2]=4 635 B10R1.176 O=CC1=CC=C(C)C(O)=C1 AK142786 [1,1,0,0,0,0|0,0,2]=4 636 B10R1.176 O=CC1=CC=C(O)C(I)=C1 AK108364 [1,1,0,0,0,0|0,0,2]=4 637 B10R1.176 OC1=C(Br)C=C(C=O)C=C1 AK-48127 [1,1,0,0,0,0|0,0,2]=4 638 B10R1.176 OC1=C(Cl)C=C(C=C1)C#N AK-26962 [1,1,0,0,0,0|1,0,1]=4 639 B10R1.176 OC1=CC(CC)=CC=C1N AK-93570 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 OC1=CC(CO)=CC=C1F AK270577 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.176 OC1=CC(CO)=CC=C1I AK-84465 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.176 OC1=CC(OC)=CC=C1C AK-65055 [1,1,0,0,0,0|0,0,0]=2 643 B10R1.176 OC1=CC(OC)=CC=C1N AK-82144 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.176 OC1=CC=C(CO)C=C1C AK-98675 [1,1,0,0,0,0|0,0,0]=2 645 B10R1.176 OC1=CC=C(OC)C=C1Br AK-33686 [1,1,0,0,0,0|0,0,0]=2 646 B10R1.176 OC1=CC=C(OC)C=C1N AK-34044 [1,1,0,0,0,0|0,0,0]=2 647 B10R1.176 OCC1=CC(Br)=C(N)N=C1 AK137409 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.176 OCC1=CC(I)=C(Cl)N=C1 AK173016 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.176 OCC1=CC=C(Br)C(C)=C1 AK-86221 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.176 OCC1=CC=C(Br)C(F)=C1 AK-53787 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.176 OCC1=CC=C(C)C(C)=C1 AK-79908 [1,1,0,0,0,0|0,0,0]=2 652 B10R1.176 OCC1=CC=C(F)C(F)=C1 AK-61983 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.176 OCC1=CC=C(I)C(F)=C1 AK-94385 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.176 OCC1=NC=C(F)C(Cl)=C1 AK-27937 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.176 SCC1=CC=C(F)C(F)=C1 AK190698 [1,1,0,0,0,0|1,1,0]=4 656 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [0,2,0,0,0,0|0,0,2]=4 657 B12R1.5 C1=CC(=CC=C1C(OC)=O)C#N AK-46102 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [0,2,0,0,0,0|0,0,1]=3 659 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.5 CCC1=CC=C(C=C1)C(=O)CBr AK110622 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.5 CC[C@@H](C1=CC=C(OC)C=C1)N AK134097 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [0,2,0,0,0,0|1,0,0]=3 663 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 AK-49350 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.5 COC(C1=CN=C(C=C1)CO)=O AK-23866 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.5 COC1=CC=C(C(N)CO)C=C1 AK668329 [0,2,0,0,0,0|0,0,0]=2 667 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AK548216 [0,2,0,0,0,0|0,0,0]=2 668 B12R1.5 COC1=CC=C([C@@H](N)CO)C=N1 AK684521 [0,2,0,0,0,0|1,0,0]=3 669 B12R1.5 N=C(NO)C1=NC=C(OC)C=C1 AK-77054 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [0,2,0,0,0,0|0,0,2]=4 671 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 AK-88481 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.5 O=C(OC)C1=CC=C(NN)C=C1 AK165897 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 AK-29959 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.5 O=C(OC)C1=NC=C(CBr)C=C1 AK153186 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.5 OCC(N)C1=CC=C(OC)C=C1 AK200151 [0,2,0,0,0,0|0,0,0]=2 677 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 AK-81685 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.6 COC1=CC=C([B-](F)(F)F)C=C1 AK129328 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 AK-50284 [0,2,0,0,0,0|1,1,0]=4 680 B12R1.6 FC(C1=CC=C(C=C1)NC)(F)F AK113627 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.6 FC(C1=CC=C(OC)C=C1)(F)F AK-77368 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.6 FC(C1=CN=C(OC)C=C1)(F)F AK-33724 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.6 O=S(C1=CC=C(CBr)C=C1)(C)=O AK-35542 [0,2,0,0,0,0|1,1,0]=4 684 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 AK-53792 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.48 C1=C(C(=CC=C1C(C)=O)OC)O AK-50384 [0,2,0,0,0,0|0,0,2]=4 686 B12R1.48 C1=C(N)C(=CC=C1[N+]([O-])=O)CO AK-16609 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.48 CC(C1=CC=C(OC)C(Br)=C1)=O AK-24248 [0,2,0,0,0,0|0,0,2]=4 688 B12R1.48 CC(C1=CC=C(OC)C(C)=C1)=O AK-68223 [0,2,0,0,0,0|0,0,2]=4 689 B12R1.48 COC1=C(C)C=C(C=C1)B(O)O AK-33740 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.48 COC1=C(C)C=C(C=C1)[N+]([O-])=O AK-79406 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.48 COC1=C(Cl)C=C(C=C1)B(O)O AK-75737 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.48 COC1=C(Cl)C=C(C=C1)C(O)=O AK-79135 [0,2,0,0,0,0|0,0,1]=3 693 B12R1.48 COC1=C(F)C=C(B(O)O)C=N1 AK-84349 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.48 COC1=C(I)C=C(C=C1)[N+]([O-])=O AK-32591 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.48 COC1=CC=C([N+]([O-])=O)C=C1Cl AK-35314 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.48 C[C@H](N)C1=CC=C(OC)C(F)=C1 AK130220 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.48 O=C(N)C1=CC=C(OC)C(N)=C1 AK-63939 [0,2,0,0,0,0|0,0,2]=4 698 B12R1.48 O=C(O)C1=CC=C(CC)C(Br)=C1 AK-93351 [0,2,0,0,0,0|1,0,1]=4 699 B12R1.48 O=C(O)C1=CC=C(CC)C(N)=C1 AK-35408 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.48 O=C(O)C1=CC=C(NC)C(N)=C1 AK-36039 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.48 O=C(O)C1=CC=C(OC)C(C)=C1 AK-32602 [0,2,0,0,0,0|0,0,1]=3 702 B12R1.48 O=C(O)C1=CC=C(OC)C(O)=C1 AK-72971 [0,2,0,0,0,0|0,0,1]=3 703 B12R1.48 O=C(O)C1=CN=C(OC)C(Br)=C1 AK151001 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.48 O=C(O)C1=CN=C(OC)C(F)=C1 AK100002 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.48 O=[N+](C1=CC=C(OC)C(Br)=C1)[O-] AK-79112 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.48 O=[N+](C1=CC=C(OC)C(F)=C1)[O-] AK-35242 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.48 OC1=CC([N+]([O-])=O)=CC=C1OC AK-76550 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.48 OCC1=C(F)C=C(C=C1)B(O)O AK-61438 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.48 OCC1=CC=C([N+]([O-])=O)C=C1F AK152017 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.113 C(C)OC1=NC=C(C=C1)B(O)O AK-35850 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.113 C1=C(C=CC(=C1)CCC)B(O)O AK-28770 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.113 COCC1=CC=C(C=C1)B(O)O AK-59627 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.113 NOCC1=CC=C([N+]([O-])=O)C=C1 AK124241 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 AK-77033 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.113 O=C(O)C1=CC=C(CCC)C=C1 AK116594 [0,2,0,0,0,0|1,0,1]=4 716 B12R1.113 O=C(O)C1=CC=C(OCC)C=C1 AK112939 [0,2,0,0,0,0|0,0,1]=3 717 B12R1.113 O=C(O)C1=NC=C(OCC)C=C1 AK-66857 [0,2,0,0,0,0|1,0,1]=4 718 B12R1.113 O=[N+](C1=CC=C(C=C1)CCO)[O-] AK-42427 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.113 OB(C1=CC=C(OCC)C=C1)O AK-34189 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.256 C1=C(C(C)=O)C=CC(=C1)C(O)=O AK-45767 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.256 C1=CC(=CC=C1B(O)O)C(C)C AK-33537 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.256 C1=CC(=CC=C1C(C)C)C(O)=O AK-47310 [0,2,0,0,0,0|1,0,1]=4 723 B12R1.256 CC(C1=CC=C(B(O)O)C=C1)O AK134194 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.256 CN(C)C1=CC=C(C=C1)B(O)O AK-25708 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.256 CN(C)C1=CC=C([C@@H](N)C)C=C1 AK-42265 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.256 CN(C)C1=CC=C([C@H](N)C)C=C1 AK133445 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.256 O=C(N)C1=CC=C(C(O)C)C=C1 AK149703 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.256 O=C(O)C1=CC=C(C(O)C)C=C1 AK140628 [0,2,0,0,0,0|1,0,1]=4 729 B12R1.256 O=C(O)C1=CC=C(N(C)C)C=C1 AK-41190 [0,2,0,0,0,0|1,0,1]=4 730 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK154798 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK157590 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.256 O=C(O)C1=CC=C([C@H](N)C)C=C1 AK155202 [0,2,0,0,0,0|1,0,1]=4 733 B12R1.256 OB(C1=CC=C(C(C)=O)C=C1)O AK-45484 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.452 C1=C(C(=CC=C1OC)B(O)O)Cl AK-27130 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.452 C1=C(OC)C=CC(=C1F)B(O)O AK-33552 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.452 C1=CC(=CC(=C1C(C)=O)F)OC AK-36270 [0,2,0,0,0,0|0,0,2]=4 737 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC AK-25965 [0,2,0,0,0,0|0,0,1]=3 738 B12R1.452 C1=CC(=CC(=C1[N+](=O)[O-])N)OC AK-21795 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.452 CC(C1=CC=C(OC)C=C1O)=O AK-79421 [0,2,0,0,0,0|0,0,2]=4 740 B12R1.452 CC1=CC(OC)=CC=C1B(O)O AK-45220 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl AK-34147 [0,2,0,0,0,0|0,0,1]=3 742 B12R1.452 COC1=CC(C)=C(C=N1)B(O)O AK-29315 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.452 COC1=CC(O)=C(C=C1)C(O)=O AK-34197 [0,2,0,0,0,0|0,0,1]=3 744 B12R1.452 COC1=CC(O)=C(C=C1)C([O-])=O AK103858 [0,2,0,0,0,0|0,0,2]=4 745 B12R1.452 C[C@H](N)C1=CC=C(OC)C=C1F AK133432 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.452 FC1=C(C=CC(=C1)OC)[N+](=O)[O-] AK-25986 [0,2,0,0,0,0|1,0,1]=4 747 B12R1.452 O=C(O)C1=CC=C(OC)C=C1Br AK-86973 [0,2,0,0,0,0|0,0,1]=3 748 B12R1.452 O=C(O)C1=CC=C(OC)C=C1C AK-51514 [0,2,0,0,0,0|0,0,1]=3 749 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Br)[O-] AK136327 [0,2,0,0,0,0|1,0,1]=4 750 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Cl)[O-] AK-41479 [0,2,0,0,0,0|1,0,1]=4 751 B12R1.452 OC1=CC(OC)=CC=C1[N+]([O-])=O AK-29448 [0,2,0,0,0,0|1,0,1]=4 752 B12R1.452 OCC1=CC=C([N+]([O-])=O)C(F)=C1 AK-90554 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [0,2,0,0,0,0|0,0,1]=3 754 B12R1.4 C1=CC(=CC=C1OC)CC(O)=O AK-47564 [0,2,0,0,0,0|0,0,0]=2 755 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 AK-43945 [0,2,0,0,0,0|0,0,2]=4 756 B12R1.4 CC(NC1=CC=C(CN)C=C1)=O AK144131 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.4 CC(OC1=CC=C(CBr)C=C1)=O AK146329 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 AK161945 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 AK116374 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.4 FC(F)OC1=NC=C(CCl)C=C1 AK132390 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.4 NCC1=CC=C(OC(F)F)N=C1 AK131244 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.4 NNC1=CC=C(OC(C)C)C=C1 AK153556 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 AK-59632 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.4 O=C(O)CC1=CC=C(CN)C=C1 AK-93749 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 AK135016 [0,2,0,0,0,0|1,0,1]=4 766 B12R1.4 O=C(O)CC1=CC=C(SC)C=C1 AK-45539 [0,2,0,0,0,0|0,1,0]=3 767 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 AK-48956 [0,2,0,0,0,0|0,0,2]=4 768 B12R1.71 CCCOC1=CC=C(C#C)C=C1 AK-88362 [0,2,0,0,0,0|1,0,1]=4 769 B12R1.71 CCCOC1=CC=C(C=O)C=C1 AK110805 [0,2,0,0,0,0|0,0,2]=4 770 B12R1.71 CCNCC1=CC=C(OC)C=C1 AK-44604 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.71 N#CC1=CC=C(CCCO)C=C1 AK-48988 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.71 O=CC1=CC=C(OCCO)C=C1 AK135531 [0,2,0,0,0,0|0,0,2]=4 773 B12R1.71 O=CNCC1=CC=C(OC)C=C1 AK201126 [0,2,0,0,0,0|0,0,1]=3 774 B12R1.114 N#CCC1=CC=C(OC)C=C1C AK-34434 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.114 O=CC1=CC=C(OCC)C(Br)=C1 AK-89163 [0,2,0,0,0,0|0,0,2]=4 776 B12R1.116 COCC1=CC=C(COC)C=C1 AK114569 [0,2,0,0,0,0|0,0,0]=2 777 B12R1.288 C1=C(C=CC(=C1F)OC)CC#N AK-39815 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.288 OC1=CC(CCN)=CC=C1OC AK129564 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.78 C1=C(C(=CC=C1OC)OC)OC AK-47486 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.78 C1=C(C=C(C(=C1)OC)OC)C=O AK-46721 [0,2,0,0,0,0|0,0,2]=4 781 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 AK-77052 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.78 COC1=CC(CBr)=CC=C1OC AK-75902 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.78 COC1=CC(CC)=CC=C1OC AK135929 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.78 COC1=CC(OC)=C(C=C1)C#N AK-87201 [0,2,0,0,0,0|1,0,1]=4 785 B12R1.78 COC1=CC=C(C(OC)=C1)CO AK-36238 [0,2,0,0,0,0|0,0,0]=2 786 B12R1.78 NCC1=CC=C(OC)C=C1OC AK-75828 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.78 O=CC1=CC(OC)=CC=C1OC AK-32329 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.78 O=CC1=CC=C(OC)C=C1OC AK-44026 [0,2,0,0,0,0|0,0,2]=4 789 B12R1.78 OCC1=CC=C(OC)C(OC)=C1 AK-62130 [0,2,0,0,0,0|0,0,0]=2 790 B12R1.301 COC1=C(C)C=C(C=O)C=C1C AK-34987 [0,2,0,0,0,0|0,0,2]=4 791 B12R1.301 COC1=CC(C)=C(C=O)C(C)=C1 AK-70918 [0,2,0,0,0,0|0,0,2]=4 792 B12R1.301 N#CC1=CC(F)=C(CO)C(F)=C1 AK-38296 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.301 N#CC1=CC(I)=C(OC)C(I)=C1 AK684574 [0,2,0,0,0,0|1,0,1]=4 794 B12R1.301 O=CC1=C(F)C=C(OC)C=C1F AK-34388 [0,2,0,0,0,0|0,0,2]=4 795 B12R1.301 O=CC1=CC(Br)=C(OC)C(Br)=C1 AK-61441 [0,2,0,0,0,0|0,0,2]=4 796 B12R1.450 BrC1=C(C=O)C=C(C(=C1)OC)O AK-25722 [0,2,0,0,0,0|0,0,2]=4 797 B12R1.450 COC1=C(Br)C=C(OC)C(Br)=C1 AK-79375 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.450 COC1=C(I)C=C(OC)C(I)=C1 AK-77028 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.450 IC1=C(OC)C=C(Br)C(OC)=C1 AK264609 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.653 COC1=CC=C(OC)C(Br)=C1Br AK136509 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.653 O=CC1=CC=C(OC)C(O)=C1Br AK326709 [0,2,0,0,0,0|0,0,2]=4 802 B12R1.653 O=CC1=CC=C(OC)C(O)=C1O AK135937 [0,2,0,0,0,0|0,0,2]=4 803 B10R1.2 CC1=CC=CC(CO)=C1C AK-58580 [0,0,1,1,0,0|1,0,1]=4 804 B10R1.2 COC1=CC=CC(O)=C1Br AK-58508 [0,0,1,1,0,0|1,0,1]=4 805 B10R1.2 COC1=CC=CC(O)=C1N AK104920 [0,0,1,1,0,0|1,0,1]=4 806 B10R1.2 ClC1=C(C=CC=C1OC)O AK-21964 [0,0,1,1,0,0|1,0,1]=4 807 B10R2.31 BrC1=CC=C2CCC2=C1 AK-54784 [1,0,0,1,0,0|2,0,0]=4 808 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O AK549131 [0,1,0,1,0,0|1,0,1]=4 809 B12R2.1384 OB(C1=CC=C2CCC2=C1)O AK164312 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.44 C#CC1=CC=C2OCOC2=C1 AK395172 [0,1,0,1,0,0|1,0,1]=4 811 B12R2.44 C1=C(C=C2C(=C1)C=C[NH]2)OC AK-16433 [0,1,0,1,0,0|1,0,1]=4 812 B12R2.44 C1=C(C=O)C=CC2=C1CCO2 AK-27740 [0,1,0,1,0,0|0,0,2]=4 813 B12R2.44 COC1=CC2=C(C=C1)CCN2 AK-29279 [0,1,0,1,0,0|1,0,0]=3 814 B12R2.44 COC1=CC2=C(CNC2)C=C1 AK-37538 [0,1,0,1,0,0|1,0,0]=3 815 B12R2.44 COC1=CC2=C(NC=C2)C=C1 AK-45962 [0,1,0,1,0,0|1,0,1]=4 816 B12R2.44 COC1=CC2=C(NCC2)C=C1 AK-34134 [0,1,0,1,0,0|1,0,0]=3 817 B12R2.44 COC1=CC=C2C(=C1)[NH]N=C2 AK-23867 [0,1,0,1,0,0|1,0,1]=4 818 B12R2.44 COC1=CC=C2C=CCC2=C1 AK-99957 [0,1,0,1,0,0|1,0,1]=4 819 B12R2.44 COC1=CC=C2C=COC2=C1 AK103188 [0,1,0,1,0,0|0,0,1]=3 820 B12R2.44 COC1=CC=C2N=CSC2=C1 AK-24193 [0,1,0,1,0,0|0,1,1]=4 821 B12R2.44 COC1=CC=C2NN=NC2=C1 AK126169 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.44 N#CC1=CC=C2OCOC2=C1 AK100074 [0,1,0,1,0,0|1,0,1]=4 823 B12R2.44 OCC1=CC2=C(NN=C2)C=C1 AK-48277 [0,1,0,1,0,0|1,0,1]=4 824 B12R2.44 OCC1=CC2=C(OC=C2)C=N1 AK-74309 [0,1,0,1,0,0|1,0,1]=4 825 B12R2.44 OCC1=CC2=C(SC=N2)C=C1 AK-80681 [0,1,0,1,0,0|0,1,1]=4 826 B12R2.44 OCC1=CC2=NSN=C2C=C1 AK-84487 [0,1,0,1,0,0|1,1,0]=4 827 B12R2.44 OCC1=CC=C2CCOC2=C1 AK-48647 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.1 CC1=CC(CO)=NO1 AK-29211 [1,0,0,0,1,0|2,0,0]=4 829 B8R1.1 CC1=NOC(CO)=C1 AK105202 [1,0,0,0,1,0|2,0,0]=4 830 B8R1.1 CCC1=CC=C(C)S1 AK103790 [1,0,0,0,1,0|2,0,0]=4 831 B8R1.1 CN1C=C(CO)C=N1 AK-54525 [1,0,0,0,1,0|2,0,0]=4 832 B8R1.1 OCC1=CC(Br)=CS1 AK-36412 [1,0,0,0,1,0|2,0,0]=4 833 B8R1.1 OCC1=CC=C(C)O1 AK135169 [1,0,0,0,1,0|1,0,0]=3 834 B8R1.1 OCC1=CN(C)C=N1 AK-44293 [1,0,0,0,1,0|2,0,0]=4 835 B8R1.1 OCC1=CN=C(C)O1 AK154941 [1,0,0,0,1,0|2,0,0]=4 836 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [1,0,0,0,1,0|2,0,0]=4 837 B8R1.1 OCC1=NN(C)C=C1 AK139734 [1,0,0,0,1,0|2,0,0]=4 838 B10R1.172 C1=C(C=CC=C1OC)CN AK-48953 [0,0,0,0,1,1|1,0,0]=3 839 B10R1.172 CCC1=CC=CC(CO)=N1 AK-33575 [0,0,0,0,1,1|2,0,0]=4 840 B10R1.172 COC1=CC(=NC=C1)CN AK-30303 [0,0,0,0,1,1|1,0,0]=3 841 B10R1.172 COC1=CC(OC)=CC=C1 AK-91612 [0,0,0,0,1,1|2,0,0]=4 842 B10R1.172 COC1=CC(OC)=NC=C1 AK-90158 [0,0,0,0,1,1|2,0,0]=4 843 B10R1.172 COC1=CC=CC(C#C)=C1 AK-40046 [0,0,0,0,1,1|1,0,1]=4 844 B10R1.172 COC1=CC=CC(CBr)=N1 AK-77201 [0,0,0,0,1,1|2,0,0]=4 845 B10R1.172 COC1=CC=CC(CCl)=N1 AK100141 [0,0,0,0,1,1|2,0,0]=4 846 B10R1.172 COC1=CC=CC(CO)=N1 AK-75971 [0,0,0,0,1,1|1,0,0]=3 847 B10R1.172 COC1=CN=CC(=C1)C=O AK-29785 [0,0,0,0,1,1|0,0,2]=4 848 B10R1.172 COC1=CN=CC(OC)=C1 AK-51294 [0,0,0,0,1,1|2,0,0]=4 849 B10R1.172 N#CC1=CC=CC(OC)=C1 AK-88694 [0,0,0,0,1,1|1,0,1]=4 850 B10R1.172 N#CC1=CC=NC(CO)=C1 AK140228 [0,0,0,0,1,1|2,0,0]=4 851 B10R1.172 N#CC1=NC=CC(OC)=C1 AK-51293 [0,0,0,0,1,1|1,0,1]=4 852 B10R1.172 NCC1=NC(OC)=NC=C1 AK162050 [0,0,0,0,1,1|2,0,0]=4 853 B10R1.172 NCC1=NC(OC)=NC=C1 AK550137 [0,0,0,0,1,1|2,0,0]=4 854 B10R1.172 NCC1=NC=CC(OC)=C1 AK145886 [0,0,0,0,1,1|1,0,0]=3 855 B10R1.172 O=CC1=CC=CC(OC)=C1 AK-84426 [0,0,0,0,1,1|0,0,2]=4 856 B10R1.172 O=CC1=CC=NC(OC)=C1 AK-36228 [0,0,0,0,1,1|0,0,2]=4 857 B10R1.172 O=CC1=NC=CC(OC)=C1 AK-64229 [0,0,0,0,1,1|0,0,2]=4 858 B10R1.172 OCC1=CC(OC)=NC=C1 AK-28607 [0,0,0,0,1,1|0,0,0]=2 859 B10R1.172 OCC1=CC=CC(OC)=C1 AK106250 [0,0,0,0,1,1|0,0,0]=2 860 B10R1.172 OCC1=NC(SC)=NC=C1 AK150459 [0,0,0,0,1,1|1,1,0]=4 861 B10R1.172 OCC1=NC=CC(OC)=C1 AK-28854 [0,0,0,0,1,1|0,0,0]=2