0 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 C1=C(C(=N)N)C=CC(=C1)Cl AK-49053 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 C1=C([N+](=O)[O-])N=CC(=C1)C AK-28721 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,0,0,0,0,0|1,0,1]=2 20 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 CC(C1=CN=C(N)C=C1)C AK-81363 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 CC(C1=NC=C(Br)C=N1)C AK173649 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.13 CC(N)C1=CC=C(C)N=C1 AK684509 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.13 CC(N)C1=NC=C(C)C=C1 AK158768 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.13 CC1=NC=C(C=C1)B(O)O AK-27039 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.13 CN(C)C1=NC=C(Br)C=C1 AK-25675 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.13 CN(C)C1=NC=C(Br)N=C1 AK136914 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.13 CN(C)C1=NC=C(I)C=C1 AK117849 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 AK111703 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.13 CN(C1=NC=C(Br)C=N1)C AK-22026 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 AK204056 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK173009 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK321169 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 AK668421 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.13 ClC1=NC=C(C=N1)C(C)C AK-25128 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.13 FC(C1=CC=C(Cl)C=C1)F AK-77798 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.13 FC(C1=NC=C(Br)C=C1)F AK103226 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK-89169 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK107083 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.13 N=C(N)C1=CC=C(F)C=C1 AK-35244 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.13 N=C(N)C1=CC=C(O)C=C1 AK-16801 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.13 NC1=CC=C(C(C)C)N=C1 AK-30855 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.13 NC1=CC=C(C(F)F)N=C1 AK143270 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.13 NC1=CC=C(N=C1)C(F)F AK104590 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.13 NC1=CC=C([N+]([O-])=O)C=C1 AK136006 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.13 NC1=CN=C(N(C)C)N=C1 AK101155 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [0,0,0,0,0,0|1,0,0]=1 77 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [0,0,0,0,0,0|2,0,1]=3 82 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [0,0,0,0,0,0|3,0,1]=4 86 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [0,0,0,0,0,0|3,0,1]=4 87 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.13 O=S(C1=CC=C(F)C=C1)[O-] AK114760 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.13 O=[N+](C1=CN=C(C)C=C1)[O-] AK-28977 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.13 OC1=CC=C(C(=S)N)C=C1 AK-21819 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [0,0,0,0,0,0|1,0,2]=3 97 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [0,0,0,0,0,0|2,0,0]=2 98 B10R1.13 OC1=CC=C(C=C1)C(F)F AK-76781 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [0,0,0,0,0,0|2,0,0]=2 100 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [0,0,0,0,0,0|2,0,0]=2 101 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 BrC1=CN=C(C=C1)NC AK-46585 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 BrCC1=CN=C(C=C1)Cl AK-28919 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 C1=C(C=CC(=C1)Br)C#C AK-39898 [1,0,0,0,0,0|1,0,2]=4 106 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 C1=C(C=CC(=C1)F)C#N AK-44484 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.1 C1=C(C=CC(=N1)C#N)C AK-29901 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.1 C1=C(C=NC(=C1)CO)Br AK-26386 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 C1=C(N=CC(=C1)C#N)C AK-25767 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 C1=CC(=NC=C1CO)Cl AK-28987 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [1,0,0,0,0,0|1,0,1]=3 120 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.1 CC1=CN=C(C=N1)CO AK-24727 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 CC1=CN=C(CCl)C=N1 AK138019 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 CC1=CN=C(CCl)N=C1 AK-76612 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.1 CC1=NC=C(CBr)C=C1 AK139052 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.1 CC1=NC=C(CBr)C=N1 AK134681 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 CC1=NC=C(CCl)C=C1 AK123163 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.1 CC1=NN=C(OC)C=C1 AK136314 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.1 CCC1=CN=C(N)N=C1 AK-31902 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.1 CNC1=NC=C(Cl)C=C1 AK123580 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 CSC1=CN=C(N)C=C1 AK-40039 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 ClC1=CC=C(C=C1)C#N AK-54448 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.1 ClC1=CN=C(CBr)C=C1 AK164355 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 ClC1=NC=C(C=N1)CC AK-32848 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 ClCC1=NC=C(Br)C=C1 AK-47143 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [1,0,0,0,0,0|1,0,0]=2 153 B9R1.1 N#CC1=CC=C(I)C=C1 AK-45950 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.1 N#CC1=CC=C(N)C=C1 AK-41176 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.1 N(N)C1=CN=C(C=C1)C AK-49534 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 NC1=CC=C(C#C)C=C1 AK-59413 [1,0,0,0,0,0|1,0,2]=4 157 B9R1.1 NC1=CC=C(C=N1)CO AK-29786 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.1 NC1=CN=C(NC)C=C1 AK-75542 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.1 NC1=CN=C(NC)C=C1 AK141591 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.1 NC1=NC=C(N=C1)CC AK-26631 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.1 NCC1=CC=C(Br)N=C1 AK-27657 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 NCC1=CC=C(F)N=C1 AK-67908 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.1 NCC1=NC=C(Br)C=C1 AK-31901 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.1 NCC1=NC=C(Br)C=C1 AK142316 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.1 NCC1=NC=C(Cl)C=C1 AK105180 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.1 NCC1=NC=C(Cl)C=C1 AK145140 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.1 NCC1=NC=C(F)C=C1 AK145177 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 NNC1=CC=C(Br)C=C1 AK-26194 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 NNC1=CC=C(Cl)C=C1 AK-41259 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 NNC1=CC=C(Cl)C=C1 AK132992 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.1 NNC1=CC=C(F)C=C1 AK-85652 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.1 NNC1=CC=C(I)C=C1 AK-64633 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 O=C1C=CC(CO)=CN1 AK-29768 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [1,0,0,0,0,0|1,0,2]=4 187 B9R1.1 OC1=CC=C(C=C1)C#N AK-44095 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.1 OCC1=CC=C(Br)N=C1 AK-28751 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [1,0,0,0,0,0|1,0,0]=2 193 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.1 OCC1=CC=C(F)N=C1 AK-76831 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.1 OCC1=CN=C(C)N=C1 AK-25033 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.1 OCC1=NC=C(Cl)C=C1 AK136128 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.1 OCC1=NC=C(F)C=C1 AK-36421 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,0,0,0,0,0|2,0,1]=4 202 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [1,0,0,0,0,0|1,0,0]=2 204 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [1,0,0,0,0,0|2,0,0]=3 205 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,0,0,0,0,0|1,0,0]=2 210 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,0,0,0,0,0|1,0,0]=2 213 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [1,0,0,0,0,0|2,0,1]=4 221 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.3 BrCC1=CC=C(C=C1)B(O)O AK-32249 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.3 C1=C(C=CC(=C1)CO)B(O)O AK-47289 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.3 C1=C(C=CC(=C1)OC)B(O)O AK-39804 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.3 C1=C(N(C)C)C=CC(=C1)C=O AK-72833 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.3 C1=CC(=CC=C1[N+](=O)[O-])CO AK-46675 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.3 CC(C)C1=CC=C(CN)C=C1 AK-61820 [0,1,0,0,0,0|0,0,0]=1 233 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [0,1,0,0,0,0|1,0,1]=3 234 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [0,1,0,0,0,0|1,0,1]=3 235 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [0,1,0,0,0,0|1,0,1]=3 236 B11R1.3 CC(C1=CC=C(OC)N=C1)=O AK-76404 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [0,1,0,0,0,0|1,0,1]=3 238 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.3 CN(C1=CC=[N+](C#N)C=C1)C AK192536 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [0,1,0,0,0,0|1,0,2]=4 244 B11R1.3 N#CC1=CC=C([C@@H](N)C)C=C1 AK133451 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.3 N#CC1=CC=C([C@H](N)C)C=C1 AK133444 [0,1,0,0,0,0|1,0,1]=3 246 B11R1.3 N=C(N)C1=CC=C(OC)C=C1 AK-98683 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.3 O=C(N)C1=CC=C(CN)C=C1 AK155450 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.19 C1=C(C(F)(F)F)C=CC(=C1)I AK-25993 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.19 C1=C(C(F)(F)F)C=CC(=C1)N AK-46769 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)Cl AK-50496 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)O AK-73113 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.19 CC(C1=CC=C(Br)C=C1)(C)C AK-88487 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 AK-67199 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.19 CC(O)(C1=CC=C(Br)C=C1)C AK-41776 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F AK-72556 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.19 CC1=CC=C(C=C1)P(=O)(O)O AK-80283 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AK-93752 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.19 CC1=CC=C(S(=O)([O-])=O)C=C1 AK-48060 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 AK-82203 [0,1,0,0,0,0|1,1,0]=3 264 B11R1.19 FC(C1=NC=C(C)C=C1)(F)F AK-62644 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.19 F[B-](F)(C1=CC=C(C)C=C1)F AK307039 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.19 IC1=CC=C(C(C)(C)C)C=C1 AK-80497 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.19 NC1=CC=C(C(C)(C)C)C=C1 AK136142 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.19 NC1=CC=C(S(=O)(C)=O)C=C1 AK-32256 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.19 O=S(C1=CC=C(Br)C=C1)(C)=O AK-76561 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.19 O=S(C1=CC=C(C)C=C1)(C)=O AK-94753 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-45062 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-77681 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK101690 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK150790 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK164877 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK311262 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.19 O=S(C1=CC=C(C)C=C1)([O-])=O AK-54466 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.19 O=S(C1=CC=C(C)C=C1)([O-])=O AK126645 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 AK-40084 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.21 BrC1=C(C=C(C=C1)C(C)=O)F AK-34604 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.21 C1=C(C(=CC=C1C(=O)C)F)C AK-48194 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N AK-34321 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.21 C1=C(C(=CC=C1C(C)=O)F)Br AK-50601 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.21 C1=C(C=CC(=C1Br)C)C(O)=O AK-36339 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.21 C1=C(C=CC(=C1F)C)C(O)=O AK-34796 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.21 C1=C(C=CC(=C1F)O)C(C)=O AK-42173 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.21 C1=C(F)C(=CC=C1B(O)O)C AK-26865 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1O)C AK-40855 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.21 C1=CC(=CC(=C1F)Cl)C(=O)C AK-49084 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.21 CC(C1=CC=C(Br)C(C)=C1)=O AK-65018 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O AK114290 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.21 CC(C1=CC=C(Cl)C(C)=C1)=O AK-51511 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.21 CC(C1=CC=C(Cl)C(Cl)=C1)=O AK-41915 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.21 CC(C1=CC=C(Cl)C(N)=C1)=O AK-45178 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.21 CC(C1=CC=C(F)C(F)=C1)=O AK-53703 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.21 CC(C1=CC=C(I)C(Br)=C1)=O AK482929 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.21 CC(C1=CC=C(N)C(F)=C1)=O AK-94340 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.21 CC(C1=CC=C(O)C(Br)=C1)=O AK201265 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.21 CC(C1=CC=C(O)C(C)=C1)=O AK-41189 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O AK-42350 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.21 C[C@@H](N)C1=CC=C(C)C(Cl)=C1 AK134018 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.21 C[C@@H](N)C1=CC=C(Cl)C(C)=C1 AK-42499 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.21 C[C@@H](N)C1=CC=C(Cl)C(Cl)=C1 AK172663 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.21 C[C@@H](N)C1=CC=C(Cl)C(F)=C1 AK-42083 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.21 C[C@@H](N)C1=CC=C(F)C(Cl)=C1 AK-42066 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.21 C[C@@H](N)C1=CC=C(F)C(F)=C1 AK-42176 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 AK110178 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.21 C[C@H](N)C1=CC=C(Br)C(Cl)=C1 AK172718 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.21 C[C@H](N)C1=CC=C(C)C(Cl)=C1 AK-42498 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.21 C[C@H](N)C1=CC=C(C)C(F)=C1 AK544256 [0,1,0,0,0,0|1,0,0]=2 311 B11R1.21 C[C@H](N)C1=CC=C(Cl)C(F)=C1 AK-42082 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.21 C[C@H](N)C1=CC=C(F)C(Br)=C1 AK338978 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.21 C[C@H](N)C1=CC=C(F)C(C)=C1 AK-42488 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.21 C[C@H](N)C1=CC=C(F)C(C)=C1 AK119914 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.21 C[C@H](N)C1=CC=C(F)C(Cl)=C1 AK-42507 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.21 C[C@H](N)C1=CC=C(F)C(F)=C1 AK160111 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.21 N=C(N)C1=CC=C(C)C(F)=C1 AK-63979 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.21 NC1=CC([N+]([O-])=O)=CC=C1C AK-44165 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.21 O=C(O)C1=CC=C(C)C(Cl)=C1 AK-73060 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 AK-51540 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.21 O=C(O)C1=CC=C(C)C(O)=C1 AK-61869 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.21 O=[N+](C1=CC=C(C)C(Br)=C1)[O-] AK-36359 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.21 O=[N+](C1=CC=C(C)C(I)=C1)[O-] AK-36358 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.21 OB(C1=CC=C(C)C(C)=C1)O AK-45214 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.22 BrC1=CC=C(C(N)CO)C=C1 AK607944 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.22 BrC1=CC=C([C@@H](N)CO)C=C1 AK172682 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [0,1,0,0,0,0|1,0,1]=3 329 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [0,1,0,0,0,0|1,0,0]=2 345 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=C1 AK486779 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=N1 AK684516 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.22 ClC1=CC=C([C@H](N)CO)C=C1 AK607971 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.22 FC1=CC=C([C@@H](N)CO)C=C1 AK117861 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117823 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117858 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AK101499 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,1,0,0,0,0|1,0,1]=3 367 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 AK110007 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.22 OC[C@@H](N)C1=CC=C(Br)C=C1 AK338220 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.22 OC[C@H](N)C1=CC=C(Br)C=C1 AK202041 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.166 C1=C(C(=CC=C1C)B(O)O)Cl AK-39980 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.166 C1=C(C(=CC=C1C)C(=O)O)N AK-25621 [0,1,0,0,0,0|2,0,1]=4 381 B11R1.166 C1=C(C(=CC=C1Cl)C(C)=O)Cl AK-47301 [0,1,0,0,0,0|2,0,1]=4 382 B11R1.166 C1=C([N+]([O-])=O)C(=CC(=C1)C)Cl AK-53744 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)F AK-46615 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)O AK-49094 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)C AK-47303 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)C AK-26324 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)C AK-73066 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 AK-75553 [0,1,0,0,0,0|1,0,1]=3 389 B11R1.166 CC(C1=CC=C(Br)C=C1Cl)=O AK-77175 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.166 CC(C1=CC=C(Br)C=C1F)=O AK-46535 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.166 CC(C1=CC=C(Br)C=C1N)=O AK-38008 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.166 CC(C1=CC=C(Br)C=C1O)=O AK-40002 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.166 CC(C1=CC=C(C)C=C1F)=O AK115609 [0,1,0,0,0,0|1,0,1]=3 394 B11R1.166 CC(C1=CC=C(Cl)C=C1Br)=O AK-75637 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.166 CC(C1=CC=C(F)C=C1Cl)=O AK-53695 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.166 CC(C1=CC=C(O)C=C1Br)=O AK-75734 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.166 CC(C1=CC=C(O)C=C1C)=O AK-50197 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.166 CC(C1=CC=C(O)C=C1Cl)=O AK-36102 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.166 CC(C1=CC=C(O)C=C1O)=O AK-50224 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.166 CC1=C(C=CC(=C1)C)B(O)O AK-35632 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.166 CC1=CC=C(C(Br)=C1)N(C)C AK136564 [0,1,0,0,0,0|1,0,0]=2 402 B11R1.166 CC1=CC=C([N+]([O-])=O)C(F)=C1 AK-23702 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.166 CC1=CC=C([N+]([O-])=O)C(N)=C1 AK-35723 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.166 C[C@@H](N)C1=CC=C(Br)C=C1F AK544258 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.166 C[C@@H](N)C1=CC=C(Cl)C=C1C AK134023 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.166 C[C@@H](N)C1=CC=C(F)C=C1F AK-45015 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.166 C[C@H](N)C1=CC=C(Br)C=C1F AK189376 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.166 C[C@H](N)C1=CC=C(Cl)C=C1C AK134048 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.166 C[C@H](N)C1=CC=C(Cl)C=C1Cl AK130493 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1F AK-73153 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.166 ClC1=CC(=C(C=C1)C(C)=O)F AK-46375 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.166 FC1=C(C=CC(=C1)C)B(O)O AK-27195 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.166 FC1=C(C=CC(=C1)F)[C@H](C)N AK-42963 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.166 NC1=CC(=C(C=C1)C(C)=O)O AK-34336 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.166 N[C@H](C1=CC=C(C)C=C1C)C AK477325 [0,1,0,0,0,0|1,0,0]=2 416 B11R1.166 O=C(N)C1=CC=C(C)C=C1N AK-49754 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.166 O=C(O)C1=CC=C(C)C=C1Br AK-36340 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.166 O=C(O)C1=CC=C(C)C=C1Cl AK-36338 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.166 O=C(O)C1=CC=C(C)C=C1I AK201253 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.166 OC1=CC(C)=CC=C1[N+]([O-])=O AK-29443 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.166 OC1=CC=C(C(C)C)C(C)=C1 AK113729 [0,1,0,0,0,0|1,0,0]=2 422 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 AK-81550 [0,1,0,0,0,0|1,0,0]=2 423 B11R2.34 BrC1=CC=C(C=C1)C2CC2 AK-76692 [0,0,0,1,0,0|1,0,0]=2 424 B11R2.34 BrC1=CN=C(C2CC2)C=C1 AK-83540 [0,0,0,1,0,0|2,0,0]=3 425 B11R2.34 BrC1=NC=C(C2CC2)C=C1 AK131652 [0,0,0,1,0,0|2,0,0]=3 426 B11R2.34 ClC1=NN=C(C2CC2)C=C1 AK147361 [0,0,0,1,0,0|3,0,0]=4 427 B11R2.34 FC1=NC=C(C2CC2)C=C1 AK132519 [0,0,0,1,0,0|2,0,0]=3 428 B11R2.34 NC1=CC=C(C2CC2)C=C1 AK124361 [0,0,0,1,0,0|1,0,0]=2 429 B11R2.34 NC1=CC=C(C2CC2)N=C1 AK-64994 [0,0,0,1,0,0|2,0,0]=3 430 B11R2.34 NC1=CN=C(C2CC2)N=C1 AK123461 [0,0,0,1,0,0|3,0,0]=4 431 B11R2.34 NC1=NC=C(C2CC2)C=C1 AK129592 [0,0,0,1,0,0|2,0,0]=3 432 B11R2.34 O=C1C=CC(C2CC2)=CN1 AK132527 [0,0,0,1,0,0|2,0,0]=3 433 B11R2.34 O=C1C=CC(C2CC2)=NN1 AK140758 [0,0,0,1,0,0|3,0,0]=4 434 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [0,0,0,1,0,0|1,0,0]=2 435 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,0,0,0,1,0|2,0,1]=4 436 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,0,0,0,1,0|2,0,1]=4 437 B9R1.35 CC(N1C=C(Br)N=C1)C AK161499 [0,0,0,0,1,0|3,0,0]=4 438 B9R1.35 CC(N1N=CC(N)=C1)C AK-46297 [0,0,0,0,1,0|3,0,0]=4 439 B9R1.35 CC1=CSC(C(C)C)=N1 AK114355 [0,0,0,0,1,0|2,0,0]=3 440 B9R1.35 NC1=CC(C(C)C)=NO1 AK108354 [0,0,0,0,1,0|3,0,0]=4 441 B9R1.35 NC1=NC=C(C(C)C)S1 AK135067 [0,0,0,0,1,0|3,0,0]=4 442 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,0,0,0,0,1|2,0,1]=4 443 B11R1.20 CC(C)OC1=CC=C(I)N=N1 AK104713 [0,0,0,0,0,1|3,0,0]=4 444 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [0,0,0,0,0,1|1,0,1]=3 445 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [0,0,0,0,0,1|1,0,0]=2 446 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [0,0,0,0,0,1|2,0,1]=4 447 B11R1.20 CC(OC1=CN=C(Cl)C=C1)C AK143478 [0,0,0,0,0,1|2,0,0]=3 448 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [0,0,0,0,0,1|2,0,0]=3 449 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [0,0,0,0,0,1|1,0,0]=2 450 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,0,0,0,0,1|2,0,1]=4 451 B11R1.20 OC1=CC=C(OC(F)F)C=C1 AK116337 [0,0,0,0,0,1|3,0,0]=4 452 B11R1.20 S=C(N)NC1=CC=C(C)C=C1 AK161770 [0,0,0,0,0,1|2,0,1]=4 453 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.2 C1=CN=CC=C1OC AK-54547 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [2,0,0,0,0,0|1,0,0]=3 458 B8R1.2 CNC1=CC=CN=C1 AK-72893 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.2 COC1=CC=CN=C1 AK-76565 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,0]=3 461 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|1,0,1]=4 462 B8R1.2 NCC1=CC=NC=C1 AK-25866 [2,0,0,0,0,0|2,0,0]=4 463 B8R1.2 NCC1=CC=NC=C1 AK-50006 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|2,0,0]=4 466 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|2,0,0]=4 467 B8R1.2 OCC1=CC=NC=C1 AK-44706 [2,0,0,0,0,0|2,0,0]=4 468 B8R1.2 OCC1=CC=NC=C1 AK175384 [2,0,0,0,0,0|2,0,0]=4 469 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|2,0,0]=4 470 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|2,0,0]=4 471 B8R1.3 BrC1=CC=C(Br)C=C1 AK-77031 [2,0,0,0,0,0|2,0,0]=4 472 B8R1.3 C1=C(Br)N=CC(=C1)C AK-25828 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.3 C1=C(C=NC(=C1)C)N AK-26763 [2,0,0,0,0,0|2,0,0]=4 474 B8R1.3 C1=C(O)C=NC(=C1)C AK-27703 [2,0,0,0,0,0|2,0,0]=4 475 B8R1.3 C1=CC(=CC=C1Br)I AK-46448 [2,0,0,0,0,0|2,0,0]=4 476 B8R1.3 C1=CC(=CC=C1I)I AK-72778 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.3 C1=CC(=NC=C1Br)C AK-25801 [2,0,0,0,0,0|2,0,0]=4 478 B8R1.3 C1=NC(=CN=C1C)C AK-33017 [2,0,0,0,0,0|2,0,0]=4 479 B8R1.3 CC1=CC=C(I)C=C1 AK-95999 [2,0,0,0,0,0|1,0,0]=3 480 B8R1.3 CC1=CN=C(Cl)C=C1 AK-33822 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.3 CC1=NC=C(Cl)C=C1 AK-36211 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.3 CC1=NC=C(F)C=C1 AK-25749 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.3 CC1=NC=C(I)C=C1 AK-36128 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.3 CC1=NN=C(C)C=C1 AK130999 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.3 ClC1=CC=C(Br)C=C1 AK-98696 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.3 FC1=CC=C(I)C=C1 AK-48799 [2,0,0,0,0,0|2,0,0]=4 487 B8R1.3 FC1=NC=C(C=C1)C AK-25638 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.3 IC1=CC=C(Cl)C=C1 AK-50754 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.3 NC1=CC=C(I)C=C1 AK-49877 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.3 OC1=CC=C(F)C=C1 AK-48196 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.3 OC1=CC=C(N)C=C1 AK109176 [2,0,0,0,0,0|2,0,0]=4 492 B8R1.3 OC1=NC=C(C)C=C1 AK-25236 [2,0,0,0,0,0|2,0,0]=4 493 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.1 C1=C(C=CC(=C1)F)CC#N AK-46633 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [1,1,0,0,0,0|0,0,1]=3 501 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,1,0,0,0,0|0,0,0]=2 505 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.1 N#CCC1=CC=C(I)C=C1 AK121967 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.1 NC1=CC=C(CC#N)C=C1 AK100092 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.3 BrCC1=CC=C(CBr)C=C1 AK-86161 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.3 C#CC1=CC=C(CC)C=C1 AK-43371 [1,1,0,0,0,0|0,0,1]=3 535 B10R1.3 C1=C(C=CC(=C1)C#C)OC AK-47351 [1,1,0,0,0,0|0,0,2]=4 536 B10R1.3 C1=C(C=CC(=C1)CN)C#N AK-33511 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.3 C1=CC(=CC=C1C#N)CBr AK-49481 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.3 CNC1=CC=C(OC)C=C1 AK-89674 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.3 COC1=CC=C(C=C)C=C1 AK-46470 [1,1,0,0,0,0|0,0,2]=4 540 B10R1.3 COC1=CC=C(CN)C=N1 AK-34433 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.3 COC1=CC=C(CN)C=N1 AK100137 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.3 COC1=CC=C(CO)C=C1 AK-46460 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.3 COC1=CC=C(CO)C=N1 AK-65086 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.3 COC1=CN=C(OC)C=C1 AK161697 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.3 COC1=NC=C(CCl)C=C1 AK100139 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.3 N#CC1=CC=C(CN)C=C1 AK-45455 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.3 N#CC1=CC=C(CO)C=C1 AK142802 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.3 N#CC1=CC=C(OC)C=C1 AK-50195 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.3 NCC1=CC=C(C#C)C=C1 AK-80240 [1,1,0,0,0,0|0,0,2]=4 550 B10R1.3 NCC1=CC=C(CN)C=C1 AK-76712 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.3 NCC1=CC=C(CO)C=C1 AK-32003 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.3 NNC1=CC=C(CC)C=C1 AK-88865 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.3 NNC1=CC=C(OC)C=C1 AK-47322 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.3 O=CC1=CC=C(CCl)C=C1 AK113959 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.3 O=CC1=NC=C(CC)C=C1 AK118117 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.3 OCC1=CC=C(C#C)C=C1 AK164494 [1,1,0,0,0,0|0,0,2]=4 557 B10R1.3 OCC1=CC=C(C=O)C=C1 AK-77797 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.3 OCC1=CC=C(CBr)C=C1 AK-81957 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.3 OCC1=CC=C(CCl)C=C1 AK-64050 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.3 OCC1=CC=C(CO)C=C1 AK-45211 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.3 OCC1=NC=C(OC)C=C1 AK-33076 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.25 BrC1=C(C#N)C=CC(=C1)C AK-35136 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.25 BrC1=C(C=CC(=C1)O)OC AK-25497 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.25 BrC1=C(CBr)C=CC(=C1)F AK-35842 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.25 BrC1=CC(=C(C=C1)OC)C AK-54791 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.25 C1=C(C(=CC(=C1)C)N)C#N AK-34455 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.25 C1=CC(=CC(=C1C#N)Cl)C AK-34090 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.25 C1=CC(=CC(=C1C#N)F)C AK-36561 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.25 CC1=CC(Br)=CC=C1CBr AK-59622 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.25 CC1=CC(Br)=CC=C1CF AK687461 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 AK-76787 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.25 CC1=CC(I)=CC=C1OC AK135933 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.25 CC1=CC=C(C(Br)=C1)NC AK189204 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 AK156211 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.25 CC1=CC=C(OC)C(Br)=N1 AK-59810 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.25 CC1=CC=C(OC)C(Cl)=N1 AK150744 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.25 CC1=CN=C(CBr)C(C)=C1 AK147252 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.25 CC1=CN=C(CCl)C(C)=C1 AK103627 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.25 CC1=CN=C(CO)C(C)=C1 AK102022 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.25 CC1=CN=C(OC)C(Br)=C1 AK-40365 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.25 CC1=CN=C(OC)C(Cl)=C1 AK133238 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.25 COC1=C(F)C=C(Br)C=C1 AK-34268 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.25 COC1=C(N)C=C(I)C=C1 AK-36369 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.25 COC1=C(O)C=C(Cl)C=C1 AK-81614 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.25 COC1=C(O)C=C(N)C=C1 AK-63517 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.25 COC1=CC=C(Br)C=C1I AK120134 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.25 COC1=CC=C(Cl)C=C1Br AK-35821 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.25 COC1=CC=C(Cl)C=C1I AK-26072 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.25 COC1=CC=C(F)C=C1Br AK-35213 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.25 COC1=CC=C(I)C=C1F AK143337 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.25 FC1=CC(=C(C=C1)OC)O AK-36233 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.25 FC1=CC=C(CBr)C(Cl)=C1 AK-86341 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.25 N#CC1=CC=C(C)C=C1C AK326723 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.25 NC1=CC(Br)=CC=C1CC AK153468 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.25 NC1=CC(Br)=CC=C1NC AK149385 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.25 NC1=CC(Br)=CC=C1OC AK-39543 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.25 NC1=CC(Cl)=CC=C1CC AK476943 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.25 NC1=CC(Cl)=CC=C1NC AK138294 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.25 NC1=CC(F)=CC=C1OC AK-33948 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.25 NC1=CC=C(OC)C(Br)=C1 AK-33883 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.25 NC1=CC=C(OC)C(C)=C1 AK-33185 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.25 NC1=CC=C(OC)C(F)=C1 AK-25856 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.25 NC1=CC=C(OC)C(I)=C1 AK-39498 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.25 NC1=CC=C(OC)C(I)=C1 AK-61933 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.25 NC1=CC=C(OC)C(N)=C1 AK-93491 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 AK-89648 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.25 NCC1=CC=C(Br)C=C1C AK156403 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.25 NCC1=CC=C(Br)C=C1C AK431800 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.25 NCC1=CC=C(Br)C=C1F AK-40759 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.25 NCC1=CC=C(Cl)C=C1Br AK601695 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.25 NCC1=CC=C(F)C=C1F AK-61922 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.25 NNC1=CC=C(C)C=C1C AK-35813 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.25 NNC1=CC=C(C)C=C1Cl AK-36824 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 O=CC1=CC=C(C)C=C1Br AK-36471 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.25 O=CC1=CC=C(C)C=C1C AK-51228 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.25 O=CC1=CC=C(C)C=C1Cl AK-51348 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.25 O=CC1=CC=C(C)C=C1F AK-25429 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.25 O=CC1=CC=C(C)C=C1O AK-30310 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.25 OC1=C(C#N)C=CC(=C1)C AK-33832 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.25 OC1=CC(Br)=CC=C1CN AK154932 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 OC1=CC(Br)=CC=C1OC AK159188 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 OC1=CC=C(OC)C(F)=C1 AK-35214 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 OC1=CC=C(OC)C(O)=C1 AK114475 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 AK-76830 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 AK-46376 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 OCC1=CC=C(Br)C=C1C AK-59623 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.25 OCC1=CC=C(Br)C=C1N AK-30952 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.25 OCC1=CC=C(C)C=C1C AK-61593 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.25 OCC1=CC=C(Cl)C=C1Cl AK-86288 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.25 OCC1=CC=C(N)C=C1C AK143112 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.176 BrC1=C(C=C(C=C1)OC)F AK-35245 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.176 BrC1=C(C=C(C=C1)OC)O AK-35950 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.176 BrC1=C(C=CC(=C1)C#N)C AK-35137 [1,1,0,0,0,0|1,0,1]=4 634 B10R1.176 BrC1=C(C=CC(=C1)OC)F AK-61342 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.176 BrC1=C(N)C=CC(=C1)OC AK-34684 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.176 BrCC1=CC=C(Br)C(Br)=C1 AK150724 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.176 C1=C(C(=CC=C1CO)Cl)Cl AK-46784 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.176 C1=C(C(=CC=C1OC)N)F AK-35251 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.176 C1=C(C(=CC=C1OC)O)Cl AK-33801 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 C1=C(C=CC(=C1Br)O)CO AK-45658 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.176 C1=C(C=CC(=C1N)C)OC AK-35382 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.176 C1=C(C=CC(=C1O)C)C#N AK-50420 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.176 C1=C(NN)C=C(C(=C1)C)C AK-47561 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.176 C1=CC(=CC(=C1C)N)C#N AK-35827 [1,1,0,0,0,0|1,0,1]=4 645 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 AK-39755 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 AK104782 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.176 CC1=C(Br)C=C(CO)C=C1 AK104804 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 AK-77564 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.176 CC1=C(C)C=C(C=C1)C#N AK-87663 [1,1,0,0,0,0|1,0,1]=4 650 B10R1.176 CC1=C(F)C=C(NN)C=C1 AK-33474 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.176 CC1=CC(CC)=CC=C1C AK135930 [1,1,0,0,0,0|0,0,0]=2 652 B10R1.176 CC1=CC(CC)=CC=C1I AK149749 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.176 CC1=CC(OC)=CC=C1Br AK-79399 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.176 CC1=CC=C(OC)C=C1Cl AK-35608 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.176 CC1=CC=C(OC)C=C1F AK-35069 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.176 CC1=CN=C(OC)C=C1N AK291820 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.176 CC1=NC=C(OC)C=C1Br AK133057 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.176 COC1=CC(Br)=C(Br)C=C1 AK-86954 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.176 COC1=CC(Br)=C(C)C=C1 AK-87529 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.176 COC1=CC(Br)=C(I)C=C1 AK-57049 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.176 COC1=CC(N)=C(F)C=C1 AK-35882 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.176 COC1=CC(O)=C(I)C=C1 AK104921 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.176 COC1=CC=C(Br)C(I)=C1 AK110455 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.176 COC1=CC=C(Cl)C(Br)=C1 AK-34474 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.176 COC1=CC=C(Cl)C(F)=C1 AK-53797 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.176 COC1=CC=C(F)C(Cl)=C1 AK113602 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.176 COC1=CC=C(N)C(N)=C1 AK-46468 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.176 COC1=CC=C(O)C(C)=C1 AK-44144 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.176 ClC1=C(C=C(CBr)C=C1)F AK-53882 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.176 FC1=CC(CBr)=CC=C1Br AK-53889 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.176 N#CC1=CC=C(C)C(Cl)=C1 AK-32112 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.176 N#CC1=CC=C(C)C(F)=C1 AK-27738 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.176 NC1=CC(OC)=CC=C1Br AK-35788 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.176 NC1=CC(OC)=CC=C1Cl AK-34292 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.176 NC1=CC(OC)=CC=C1I AK-33440 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.176 NC1=CC=C(CC)C=C1F AK112540 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.176 NC1=CC=C(CC)C=C1N AK112821 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.176 NC1=CC=C(OC)C=C1C AK-32687 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.176 NC1=CC=C(OC)C=C1Cl AK-61306 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.176 NC1=CC=C(OC)C=C1F AK130572 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.176 NC1=CC=C(OC)C=C1I AK-33894 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.176 NCC1=CC=C(Br)C(Cl)=C1 AK685441 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.176 NCC1=CC=C(Br)C(F)=C1 AK161180 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.176 NCC1=CC=C(Cl)C(F)=C1 AK-86434 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.176 O=CC1=CC=C(C)C(C)=C1 AK-88497 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.176 O=CC1=CC=C(C)C(Cl)=C1 AK-61770 [1,1,0,0,0,0|1,0,1]=4 687 B10R1.176 O=CC1=CC=C(C)C(O)=C1 AK142786 [1,1,0,0,0,0|1,0,1]=4 688 B10R1.176 OC1=CC(CC)=CC=C1N AK-93570 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.176 OC1=CC(CO)=CC=C1F AK270577 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.176 OC1=CC(CO)=CC=C1I AK-84465 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.176 OC1=CC(OC)=CC=C1C AK-65055 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.176 OC1=CC(OC)=CC=C1N AK-82144 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.176 OC1=CC=C(CO)C=C1C AK-98675 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.176 OC1=CC=C(OC)C=C1Br AK-33686 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.176 OC1=CC=C(OC)C=C1N AK-34044 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.176 OCC1=CC=C(Br)C(C)=C1 AK-86221 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.176 OCC1=CC=C(Br)C(F)=C1 AK-53787 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.176 OCC1=CC=C(C)C(C)=C1 AK-79908 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.176 OCC1=CC=C(F)C(F)=C1 AK-61983 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.176 OCC1=CC=C(I)C(F)=C1 AK-94385 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.176 SCC1=CC=C(F)C(F)=C1 AK190698 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,1,0,0,0,0|0,0,0]=2 703 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,1,0,0,0,0|0,0,0]=2 706 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,1,0,0,0,0|0,0,0]=2 707 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,1,0,0,0,0|1,0,1]=4 708 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,1,0,0,0,0|1,0,1]=4 710 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.28 CC(C)(C)C1=CC=NC=C1 AK-88357 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.28 CC(C)(O)C1=NC=CC=C1 AK111321 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.28 CC(N)(C1=CC=CC=C1)C AK116559 [1,1,0,0,0,0|0,0,0]=2 727 B10R1.28 CC(N)(C1=CC=CN=C1)C AK-86166 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.28 CC(N)(C1=NC=CC=C1)C AK-64527 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 AK-59630 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 AK-47822 [1,1,0,0,0,0|1,1,0]=4 731 B10R1.61 C1=CC(=C(C=C1)N(C)C)N AK-65098 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [1,1,0,0,0,0|1,0,1]=4 733 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [1,1,0,0,0,0|1,0,1]=4 734 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [1,1,0,0,0,0|1,0,1]=4 735 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [1,1,0,0,0,0|1,0,1]=4 736 B10R1.61 CC(C)C1=C(Cl)N=CN=C1 AK110098 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [1,1,0,0,0,0|0,0,0]=2 738 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [1,1,0,0,0,0|1,0,1]=4 740 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [1,1,0,0,0,0|0,0,0]=2 741 B10R1.61 CC(N)C1=CC=CC=C1Br AK548207 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.61 CC(N)C1=CC=CC=C1Cl AK-78769 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.61 CC(N)C1=CC=CC=C1Cl AK133214 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.61 CC(N)C1=CC=CC=C1F AK-78757 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.61 CC(N)C1=NC=CC=C1C AK670791 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.61 CC(O)C1=C(F)C=NC=C1 AK174609 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.61 CC(O)C1=CC=CN=C1Cl AK118779 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.61 CN(C)C1=C(Br)C=NC=C1 AK113556 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.61 CN(C)C1=C(O)C=CC=C1 AK-49738 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.61 CN(C)C1=CC=CC=C1Br AK-86039 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK114068 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK155333 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.61 C[C@@H](N)C1=CC=CC=C1C AK-45079 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl AK-42131 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.61 C[C@@H](N)C1=CC=CC=C1F AK-33841 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK-59163 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK174547 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.61 C[C@H](N)C1=CC=CC=C1C AK162902 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK-36100 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK162903 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [1,1,0,0,0,0|1,0,0]=3 763 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.61 NC(C1=CC=CC=C1Br)C AK-50562 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.61 NC1=C(C(C)C)C=NC=C1 AK349169 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.61 N[C@@H](C1=CC=CC=C1F)C AK-42098 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.113 BrC1=CC(=CC=C1)C(F)F AK-50673 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.113 BrC1=CC(=NC=C1)N(C)C AK-49151 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.113 BrC1=NC=CC(=C1)N(C)C AK-49139 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [1,1,0,0,0,0|1,0,1]=4 771 B10R1.113 CC(C1=CC(Br)=CC=C1)C AK-61854 [1,1,0,0,0,0|0,0,0]=2 772 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [1,1,0,0,0,0|1,0,1]=4 774 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.113 CC(O)C1=CC(N)=NC=C1 AK109512 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.113 CC(O)C1=NC(Br)=CC=C1 AK-58995 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.113 CN(C)C1=CC(F)=NC=C1 AK141581 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.113 CN(C)C1=CC=CC(Br)=C1 AK-63444 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.113 C[C@@H](C1=CC=CC(N)=C1)N AK326677 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 AK608012 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.113 C[C@@H](N)C1=CC(Cl)=CN=C1 AK668419 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK-33750 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK338979 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 AK-29516 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 AK668445 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [1,1,0,0,0,0|1,0,0]=3 789 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 AK335908 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK-33217 [1,1,0,0,0,0|1,0,0]=3 791 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK338984 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 AK-35182 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.113 NC1=CC(N(C)C)=CC=C1 AK162007 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.113 NC1=NC(C(C)C)=CC=C1 AK-29534 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.113 N[C@@H](C1=CC=CC(F)=C1)C AK-45028 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.113 N[C@H](C1=CC=CC(F)=C1)C AK-42995 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.113 OC1=CC=CC(N(C)C)=C1 AK-51741 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.113 OC1=CC=CC([C@H](N)C)=C1 AK-77840 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.14 CC[C@H](C1=CC=C(C)O1)N AK172686 [0,1,0,0,1,0|2,0,0]=4 802 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [0,1,0,0,0,1|1,0,1]=4 803 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 AK-43945 [0,1,0,0,0,1|0,0,1]=3 804 B12R1.4 CC(NC1=CC=C(CN)C=C1)=O AK144131 [0,1,0,0,0,1|1,0,1]=4 805 B12R1.4 CC(OC1=CC=C(CBr)C=C1)=O AK146329 [0,1,0,0,0,1|1,0,1]=4 806 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 AK161945 [0,1,0,0,0,1|1,0,0]=3 807 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 AK116374 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.4 N#CC1=CC=C(CN(C)C)C=C1 AK107181 [0,1,0,0,0,1|1,0,1]=4 809 B12R1.4 N#CC1=CN=C(OC(C)C)C=C1 AK136951 [0,1,0,0,0,1|1,0,1]=4 810 B12R1.4 NNC1=CC=C(OC(C)C)C=C1 AK153556 [0,1,0,0,0,1|1,0,0]=3 811 B12R1.4 O=CC1=CN=C(OC(C)C)C=C1 AK-62071 [0,1,0,0,0,1|1,0,1]=4 812 B12R1.20 CC(C)C(C1=CC=C(Br)C=C1)=O AK106568 [0,1,0,0,0,1|1,0,0]=3 813 B12R1.20 CC(C)C(C1=CC=C(Cl)C=C1)=O AK163961 [0,1,0,0,0,1|1,0,0]=3 814 B12R1.20 CC(C)[C@@H](C1=CC=C(Br)C=C1)N AK684523 [0,1,0,0,0,1|1,0,0]=3 815 B12R1.20 CC1=CC=C(C=C1)C(=O)C(O)O AK-10007 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 AK-87246 [0,1,0,0,0,1|1,0,0]=3 818 B12R1.233 CC(OC1=CC=C(Br)C=C1Cl)C AK-61659 [0,1,0,0,0,1|1,0,0]=3 819 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [0,2,0,0,0,0|1,0,1]=4 820 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,2,0,0,0,0|1,0,1]=4 821 B12R1.5 CCC1=CC=C(C=C1)C(=O)CBr AK110622 [0,2,0,0,0,0|1,0,1]=4 822 B12R1.5 CC[C@@H](C1=CC=C(OC)C=C1)N AK134097 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [0,2,0,0,0,0|1,0,1]=4 825 B12R1.5 COC1=CC=C(C(N)CO)C=C1 AK668329 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AK548216 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.5 COC1=CC=C([C@@H](N)CO)C=N1 AK684521 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [0,2,0,0,0,0|1,0,1]=4 829 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [0,2,0,0,0,0|1,0,1]=4 830 B12R1.5 OCC(N)C1=CC=C(OC)C=C1 AK200151 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.6 C1=C(C=CC(=C1)CN)C(F)(F)F AK-48950 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.6 CNC1=CC=C(C=C1)[S](=O)(=O)C AK-39565 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 AK-81685 [0,2,0,0,0,0|0,0,0]=2 834 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 AK-50284 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.6 FC(C1=CC=C(C=C1)NC)(F)F AK113627 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.6 FC(C1=CC=C(OC)C=C1)(F)F AK-77368 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.6 N#CC1=CC=C(C(C)(C)C)C=C1 AK-88347 [0,2,0,0,0,0|0,0,1]=3 838 B12R1.6 NNC1=CC=C(C(C)(C)C)C=C1 AK-88463 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.6 O=CC1=CN=C(C(C)(O)C)C=C1 AK-84773 [0,2,0,0,0,0|1,0,1]=4 840 B12R1.6 O=S(C1=CC=C(CBr)C=C1)(C)=O AK-35542 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 AK-53792 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.48 C1=C(C(=CC=C1C(C)=O)OC)O AK-50384 [0,2,0,0,0,0|1,0,1]=4 843 B12R1.48 CC(C1=CC=C(OC)C(Br)=C1)=O AK-24248 [0,2,0,0,0,0|1,0,1]=4 844 B12R1.48 CC(C1=CC=C(OC)C(C)=C1)=O AK-68223 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 AK-78991 [0,2,0,0,0,0|1,0,1]=4 846 B12R1.48 C[C@H](N)C1=CC=C(OC)C(F)=C1 AK130220 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.256 C1=CC(=CC=C1B(O)O)C(C)C AK-33537 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.256 C1=CC(=CC=C1C(C)C)C(O)=O AK-47310 [0,2,0,0,0,0|0,0,1]=3 849 B12R1.256 CC(C1=CC=C(B(O)O)C=C1)O AK134194 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.256 CC(C1=CC=C(N(C)C)C=C1)=O AK136066 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.256 CN(C)C1=CC=C(C=C1)B(O)O AK-25708 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.256 CN(C)C1=CC=C([C@@H](N)C)C=C1 AK-42265 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.256 CN(C)C1=CC=C([C@H](N)C)C=C1 AK133445 [0,2,0,0,0,0|1,0,0]=3 854 B12R1.256 C[C@H](N)C1=CC=C([N+]([O-])=O)C=C1 AK-57955 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.256 C[SiH](C1=CC=C([SiH](C)C)C=C1)C AK126572 [0,2,0,0,0,0|0,1,0]=3 856 B12R1.256 N[C@H](C)C1=CC=C([N+]([O-])=O)C=C1 AK-35692 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.256 O=C(N)C1=CC=C(C(O)C)C=C1 AK149703 [0,2,0,0,0,0|1,0,1]=4 858 B12R1.256 O=C(N)C1=CC=C(N(C)C)C=C1 AK-64565 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.256 O=C(O)C1=CC=C(C(O)C)C=C1 AK140628 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.256 O=C(O)C1=CC=C(N(C)C)C=C1 AK-41190 [0,2,0,0,0,0|1,0,1]=4 861 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK154798 [0,2,0,0,0,0|1,0,1]=4 862 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK157590 [0,2,0,0,0,0|1,0,1]=4 863 B12R1.256 O=C(O)C1=CC=C([C@H](N)C)C=C1 AK155202 [0,2,0,0,0,0|1,0,1]=4 864 B12R1.256 O=[N+](C1=CC=C(C(Br)C)C=C1)[O-] AK127643 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.452 C1=CC(=CC(=C1C(C)=O)F)OC AK-36270 [0,2,0,0,0,0|1,0,1]=4 866 B12R1.452 CC(C1=CC=C(OC)C=C1O)=O AK-79421 [0,2,0,0,0,0|1,0,1]=4 867 B12R1.452 C[C@H](N)C1=CC=C(OC)C=C1F AK133432 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.452 O=CC1=CC=C(N(C)C)C(C)=C1 AK-57047 [0,2,0,0,0,0|1,0,1]=4 869 B12R1.9 CC(C)(C1=CC=C(Br)C=C1)C#N AK-44857 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.9 CC1=CC=C(S(=O)(OC)=O)C=C1 AK-48103 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.9 NC1=CC=C(C=C1)C(C#N)(C)C AK-39744 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.9 NC1=CC=C(C=C1)C(CO)(C)C AK-30925 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.9 O=S(C1=CC=C(C)C=C1)(NC)=O AK117052 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.23 C1=C(C(=CC(=C1)C(C)(C)C)Br)O AK-49083 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.23 CC(C)(C)C1=CC(Br)=C(Br)C=C1 AK-40366 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.23 CC(C)(C)C1=CC(Cl)=C(N)C=C1 AK110887 [0,2,0,0,0,0|1,0,0]=3 877 B12R1.23 CC(C)(C)C1=CC(N)=C(O)C=C1 AK-44340 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.23 ClC1=CC(C(C)(C)C)=CC=C1Br AK-88567 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.23 FC(C1=CC=C(C)C(Br)=C1)(F)F AK-53842 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.23 NC1=CC=C(C(C)(C)C)C=C1N AK-51314 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.23 O=S(C1=CC=C(C)C(Br)=C1)(C)=O AK-91336 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.23 O=S(C1=CC=C(C)C(Cl)=C1)(C)=O AK-63695 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.23 OC1=CC=C(C(C)(C)C)C=C1C AK135448 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.126 CC(N)(C1=CC=C(Cl)C=C1Cl)C AK164911 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.126 CC1=CC(Cl)=C(C=C1)C(F)(F)F AK-36272 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.126 NC1=CC(C)=CC=C1C(F)(F)F AK122430 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.126 NC1=CC=C(C(C)(C)C)C(Br)=C1 AK130597 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.56 C[C@@H](N)C1=CC=C(F)C(OC)=C1 AK-42093 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.56 C[C@H](N)C1=CC=C(F)C(OC)=C1 AK160451 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.56 C[C@H](N)C1=CC=C(F)C(OC)=C1 AK684510 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.56 N#CC1=CC(C(C)C)=CC=C1N AK-31134 [0,2,0,0,0,0|1,0,0]=3 892 B12R1.232 O=C1C(C(C)C)=CC(C(C)=C1)=O AK101679 [0,2,0,0,0,0|0,0,0]=2 893 B12R1.367 C1=C(C(=CC=C1C(OC)=O)C)N AK-47538 [0,2,0,0,0,0|1,0,1]=4 894 B12R1.367 C1=C(C=CC(=C1Br)C)C(OC)=O AK-47512 [0,2,0,0,0,0|1,0,1]=4 895 B12R1.367 CCC(C1=CC=C(C)C(C)=C1)=O AK-63917 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.367 CC[C@@H](C1=CC=C(F)C(F)=C1)N AK133446 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.367 CC[C@H](C1=CC=C(F)C(F)=C1)N AK133434 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.367 ClC1=CC=C(C(N)CO)C=C1Cl AK406388 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.367 ClC1=CC=C([C@@H](N)CO)C=C1Cl AK172646 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.367 ClC1=CC=C([C@H](N)CO)C=C1Cl AK159392 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.367 FC1=CC=C([C@H](N)CO)C=C1Cl AK321858 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.367 O=C(OC)C1=CC=C(C)C(F)=C1 AK-39787 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 AK-48404 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.16 C=CC[C@H](C1=CC=C(F)C=C1)N AK172736 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.16 NC(CCO)C1=CC=C(C=C1)Cl AK-50547 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.16 NC(CCO)C1=CC=C(C=C1)F AK-39303 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.16 OCC[C@H](N)C1=CC=C(N)C=C1 AK310897 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)C AK-46754 [0,2,0,0,0,0|1,0,1]=4 910 B12R1.1703 CC[C@@H](C1=CC=C(C)C=C1C)N AK134037 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 AK-82342 [0,2,0,0,0,0|1,0,1]=4 912 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N AK-61296 [0,2,0,0,0,0|1,0,1]=4 913 B12R1.1703 ClC1=CC=C(C(N)CO)C(Cl)=C1 AK523897 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.1703 ClC1=CC=C(C(N)CO)C(Cl)=C1 AK670792 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.1703 O=C(OC)C1=CC=C(C)C=C1C AK140642 [0,2,0,0,0,0|1,0,1]=4 916 B12R1.1000 CC(O)C1=C(F)C=C(Br)C=C1F AK167902 [0,2,0,0,0,0|2,0,0]=4 917 B10R2.31 BrC1=CC=C2CCC2=C1 AK-54784 [1,0,0,1,0,0|1,0,0]=3 918 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [1,0,0,1,0,0|1,0,0]=3 919 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|1,0,1]=4 920 B12R2.606 BrC1=CC=C2CC(CC2=C1)O AK-36598 [0,0,0,1,0,1|2,0,0]=4 921 B12R2.606 C1=C([NH]C2=CC=C(C=C12)C)C AK-32967 [0,0,0,1,0,1|0,0,2]=4 922 B12R2.606 CC1NC2=C(C=C(F)C=C2)C1 AK-89513 [0,0,0,1,0,1|1,0,0]=3 923 B12R2.606 NC1=CC2=C(CN(C)C2)C=C1 AK173245 [0,0,0,1,0,1|2,0,0]=4 924 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 AK-34676 [0,0,0,1,0,1|2,0,0]=4 925 B12R2.606 NC1CC2=C(C=C(F)C=C2)C1 AK-32562 [0,0,0,1,0,1|2,0,0]=4 926 B12R2.606 NC1CC2=C(C=C(I)C=C2)C1 AK136096 [0,0,0,1,0,1|2,0,0]=4 927 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 AK151208 [0,1,0,1,0,0|0,0,1]=3 928 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 AK-90820 [0,1,0,1,0,0|1,0,0]=3 929 B12R2.612 CC1=CC=C2C(N)CCC2=C1 AK-60573 [0,1,0,1,0,0|1,0,0]=3 930 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 AK-31447 [0,1,0,1,0,0|2,0,0]=4 931 B12R2.612 NC1COC2=CC(Br)=CC=C12 AK-27555 [0,1,0,1,0,0|2,0,0]=4 932 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 AK175313 [0,1,0,1,0,0|2,0,0]=4 933 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK-76304 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK544242 [0,1,0,1,0,0|2,0,0]=4 935 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 AK-42485 [0,1,0,1,0,0|2,0,0]=4 936 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 AK-51085 [0,1,0,1,0,0|2,0,0]=4 937 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK-76305 [0,1,0,1,0,0|2,0,0]=4 938 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK544243 [0,1,0,1,0,0|2,0,0]=4 939 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [0,1,0,1,0,0|1,0,1]=4 940 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 AK109538 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.1 CC1=CN=C(CC)N1 AK161824 [1,0,0,0,1,0|2,0,0]=4 942 B8R1.1 CC1=CSC(CC)=N1 AK114234 [1,0,0,0,1,0|2,0,0]=4 943 B8R1.1 CCC1=CC=C(C)S1 AK103790 [1,0,0,0,1,0|1,0,0]=3 944 B8R1.1 CN1C=C[N+](CC)=C1 AK161828 [1,0,0,0,1,0|2,0,0]=4 945 B8R1.1 C[N+]1=CN(CC)C=C1 AK161830 [1,0,0,0,1,0|2,0,0]=4 946 B8R1.1 C[N+]1=CN(CC)C=C1 AK176161 [1,0,0,0,1,0|2,0,0]=4 947 B8R1.1 OCC1=CC=C(C)O1 AK135169 [1,0,0,0,1,0|2,0,0]=4 948 B8R1.7 CC(C1=CC=CO1)C AK120816 [1,0,0,0,1,0|1,0,0]=3 949 B8R1.7 CC(C1=NC=CN1)C AK106223 [1,0,0,0,1,0|2,0,0]=4 950 B8R1.7 CC(N1C=CN=C1)C AK-79287 [1,0,0,0,1,0|2,0,0]=4 951 B8R1.7 CC(N1N=CC=C1)C AK-61646 [1,0,0,0,1,0|2,0,0]=4 952 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [1,0,0,0,1,0|2,0,0]=4 953 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [1,0,0,0,1,0|2,0,0]=4 954 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,0,0,0,0,1|0,0,0]=2 955 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [1,0,0,0,0,1|1,0,0]=3 956 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [1,0,0,0,0,1|1,0,0]=3 957 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,0,0,0,0,1|0,0,1]=3 958 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [1,0,0,0,0,1|2,0,0]=4 959 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [0,0,0,0,0,2|2,0,0]=4