0 B11R1.3 C1=C(C=CC(=C1)C=O)C(O)=O AK-45367 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C1=C(N(C)C)C=CC(=C1)C=O AK-72833 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.3 C=CC1=CC=C([N+]([O-])=O)C=C1 AK135882 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.3 CC(C)C1=CC=C(CN)C=C1 AK-61820 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 CN(C1=CC=[N+](C#N)C=C1)C AK192536 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.3 N#CC1=CC=C([C@@H](N)C)C=C1 AK133451 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.3 N#CC1=CC=C([C@H](N)C)C=C1 AK133444 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.3 O=CC1=CC=C([N+]([O-])=O)C=C1 AK-49906 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.3 O=CC1=NC=C([N+]([O-])=O)C=C1 AK-46158 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.3 OB(C1=CC=C(C=C)C=C1)O AK-45734 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.3 OB(C1=CC=C(C=O)C=C1)O AK-45038 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.3 BrCC1=CC=C(CBr)C=C1 AK-86161 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.3 C#CC1=CC=C(CC)C=C1 AK-43371 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.3 C(=O)C1=CN=C(C=C1)C#N AK-49150 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.3 C1=C(C=CC(=C1)C#C)OC AK-47351 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.3 C1=C(C=CC(=C1)CN)C#N AK-33511 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.3 C1=CC(=CC=C1C#N)CBr AK-49481 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.3 C1=NC(=NC=C1C=O)OC AK-24039 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.3 CNC1=CC=C(OC)C=C1 AK-89674 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.3 COC1=CC=C(C=C)C=C1 AK-46470 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.3 COC1=CC=C(CO)C=C1 AK-46460 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.3 N#CC1=CC=C(CN)C=C1 AK-45455 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.3 N#CC1=CC=C(CO)C=C1 AK142802 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.3 N#CC1=CC=C(OC)C=C1 AK-50195 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.3 NCC1=CC=C(C#C)C=C1 AK-80240 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.3 NCC1=CC=C(CN)C=C1 AK-76712 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.3 NCC1=CC=C(CO)C=C1 AK-32003 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.3 NNC1=CC=C(CC)C=C1 AK-88865 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.3 NNC1=CC=C(OC)C=C1 AK-47322 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.3 O=CC1=CC=C(C#C)C=C1 AK-51699 [1,0,0,0,0,0|0,0,2]=3 41 B10R1.3 O=CC1=CC=C(C#N)C=C1 AK-41243 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.3 O=CC1=CC=C(C=N1)C#N AK-40989 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.3 O=CC1=CC=C(C=O)C=C1 AK-40107 [1,0,0,0,0,0|1,0,1]=3 44 B10R1.3 O=CC1=CC=C(CCl)C=C1 AK113959 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.3 O=CC1=CN=C(OC)C=C1 AK-36019 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.3 O=CC1=CN=C(SC)N=C1 AK-29586 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.3 O=CC1=NC=C(CC)C=C1 AK118117 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.3 O=CC1=NC=C(OC)C=C1 AK-34181 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.3 OCC1=CC=C(C#C)C=C1 AK164494 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.3 OCC1=CC=C(C=O)C=C1 AK-77797 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.3 OCC1=CC=C(CBr)C=C1 AK-81957 [1,0,0,0,0,0|1,0,2]=4 52 B10R1.3 OCC1=CC=C(CCl)C=C1 AK-64050 [1,0,0,0,0,0|1,0,2]=4 53 B10R1.3 OCC1=CC=C(CO)C=C1 AK-45211 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.13 CC(C1=CN=C(N)C=C1)C AK-81363 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 CC(C1=NC=C(Br)C=N1)C AK173649 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.13 CC(N)C1=CC=C(C)N=C1 AK684509 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.13 CC(N)C1=NC=C(C)C=C1 AK158768 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.13 CN(C)C1=NC=C(Br)C=C1 AK-25675 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.13 CN(C)C1=NC=C(I)C=C1 AK117849 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 AK204056 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK173009 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK321169 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 AK668421 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 ClC1=NC=C(C=N1)C(C)C AK-25128 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.13 FC(C1=CC=C(Cl)C=C1)F AK-77798 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 NC1=CC=C(C(C)C)N=C1 AK-30855 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [1,0,0,0,0,0|0,0,3]=4 94 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.13 OC1=CC=C(C=C1)C(F)F AK-76781 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [1,0,0,0,0,0|1,0,1]=3 98 B12R1.5 C(=O)C1=NC=C(C(=O)OC)C=C1 AK-30222 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.5 CC[C@@H](C1=CC=C(OC)C=C1)N AK134097 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.5 COC1=CC=C(C(N)CO)C=C1 AK668329 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AK548216 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.5 OCC(N)C1=CC=C(OC)C=C1 AK200151 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.6 C1=CC(=CC=C1[S](C)(=O)=O)C=O AK-43980 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 AK-81685 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.6 FC(C1=NC=C(C=C1)C=O)(F)F AK-29991 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.6 FC(F)(F)C1=CC=C(C=O)N=C1 AK-29682 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.6 N#CC1=CC=C(C(C)(C)C)C=C1 AK-88347 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.6 NNC1=CC=C(C(C)(C)C)C=C1 AK-88463 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.6 O=CC1=CC=C(C(F)(F)F)C=C1 AK-25995 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.6 O=CC1=CN=C(C(C)(O)C)C=C1 AK-84773 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.6 O=S(C1=CC=C(C=O)C=C1)([O-])=O AK-48848 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 AK-78991 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.48 C[C@H](N)C1=CC=C(OC)C(F)=C1 AK130220 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.48 FC1=C(C=O)C=CC(=C1)[N+](=O)[O-] AK-24799 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 AK-30254 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.48 O=CC1=CC=C([N+]([O-])=O)C=C1C AK187629 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.48 O=CC1=CC=C([N+]([O-])=O)C=C1N AK164955 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.48 O=CC1=CC=C([N+]([O-])=O)C=C1O AK-34323 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.48 OB(C1=CC=C(C=O)C(F)=C1)O AK-44968 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.48 OC(=O)C1=CC(Br)=C(C=O)C=C1 AK100358 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.48 [O-][N+](=O)C1=CC(Br)=C(C=O)C=C1 AK-72574 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.256 C1=C(C(C)=O)C=CC(=C1)C(O)=O AK-45767 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.256 C1=C(C=CC(=C1)B(O)O)C(=O)N AK-47634 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.256 C1=CC(=CC=C1B(O)O)C(=O)O AK-45039 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.256 C1=CC(=CC=C1B(O)O)C(C)C AK-33537 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.256 C1=CC(=CC=C1C(C)C)C(O)=O AK-47310 [0,1,0,0,0,0|0,0,0]=1 128 B12R1.256 CC(C1=CC=C(B(O)O)C=C1)O AK134194 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.256 CC(C1=CC=C(N(C)C)C=C1)=O AK136066 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.256 CC(C1=CC=C([N+]([O-])=O)C=C1)=O AK-46491 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.256 CN(C)C1=CC=C(C=C1)B(O)O AK-25708 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.256 CN(C)C1=CC=C([C@@H](N)C)C=C1 AK-42265 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.256 CN(C)C1=CC=C([C@H](N)C)C=C1 AK133445 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.256 C[C@H](N)C1=CC=C([N+]([O-])=O)C=C1 AK-57955 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.256 C[SiH](C1=CC=C([SiH](C)C)C=C1)C AK126572 [0,1,0,0,0,0|1,2,0]=4 136 B12R1.256 N[C@H](C)C1=CC=C([N+]([O-])=O)C=C1 AK-35692 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.256 O=C(N)C1=CC=C(C(N)=N)C=C1 AK-51220 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.256 O=C(N)C1=CC=C(C(O)C)C=C1 AK149703 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.256 O=C(N)C1=CC=C(N(C)C)C=C1 AK-64565 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.256 O=C(O)C1=CC=C(C(N)=N)C=C1 AK139166 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.256 O=C(O)C1=CC=C(C(O)C)C=C1 AK140628 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.256 O=C(O)C1=CC=C(N(C)C)C=C1 AK-41190 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK154798 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK157590 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.256 O=C(O)C1=CC=C([C@H](N)C)C=C1 AK155202 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.256 O=C(O)C1=CC=C([N+]([O-])=O)C=C1 AK-77655 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.256 O=[N+](C1=CC=C(C(Br)C)C=C1)[O-] AK127643 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.256 OB(C1=CC=C(C(C)=O)C=C1)O AK-45484 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.452 CC1=C(C=CC(=C1)C=O)[N+](=O)[O-] AK-25530 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.452 C[C@H](N)C1=CC=C(OC)C=C1F AK133432 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.452 O=CC1=CC=C(B(O)O)C(Cl)=C1 AK-89228 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.452 O=CC1=CC=C(N(C)C)C(C)=C1 AK-57047 [0,1,0,0,0,0|1,0,0]=2 153 B12R1.452 O=CC1=CC=C([N+]([O-])=O)C(Br)=C1 AK-32665 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.452 O=CC1=CC=C([N+]([O-])=O)C(O)=C1 AK-48912 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 AK151208 [0,0,0,1,0,0|0,0,0]=1 156 B10R1.31 CC(C)C1=NC(C=O)=CS1 AK-57998 [0,0,0,0,1,0|2,0,0]=3 157 B10R1.31 O=CC1=CC=C(C(C)=O)S1 AK110433 [0,0,0,0,1,0|2,0,1]=4 158 B10R1.31 O=CC1=CC=C(N(C)C)S1 AK-98740 [0,0,0,0,1,0|2,0,0]=3 159 B10R1.31 O=CC1=CN(C(C)C)N=C1 AK-89181 [0,0,0,0,1,0|2,0,0]=3 160 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 AK-43945 [0,0,0,0,0,1|0,0,0]=1 161 B12R1.4 CC(NC1=CC=C(C=O)C=C1)=O AK-46288 [0,0,0,0,0,1|1,0,1]=3 162 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 AK161945 [0,0,0,0,0,1|2,0,1]=4 163 B12R1.4 N#CC1=CC=C(CN(C)C)C=C1 AK107181 [0,0,0,0,0,1|2,0,1]=4 164 B12R1.4 N#CC1=CN=C(OC(C)C)C=C1 AK136951 [0,0,0,0,0,1|2,0,1]=4 165 B12R1.4 NNC1=CC=C(OC(C)C)C=C1 AK153556 [0,0,0,0,0,1|2,0,0]=3 166 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 AK-48956 [0,0,0,0,0,1|2,0,0]=3 167 B12R1.4 O=CC1=CN=C(OC(C)C)C=C1 AK-62071 [0,0,0,0,0,1|1,0,0]=2 168 B12R1.4 O=CC1=CN=C(OC(F)F)C=C1 AK132608 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [2,0,0,0,0,0|1,0,1]=4 171 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [2,0,0,0,0,0|1,0,1]=4 175 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 C1=NC(=CC=C1C=O)Br AK-25442 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 C1=NC(=CC=C1C=O)Cl AK-25624 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [2,0,0,0,0,0|0,0,0]=2 179 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [2,0,0,0,0,0|1,0,1]=4 188 B9R1.1 ClC1=CN=C(C=C1)C=O AK-44636 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.1 FC1=NC=C(C=C1)C=O AK-25098 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 O=C1C=CC(CO)=CN1 AK-29768 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [2,0,0,0,0,0|1,0,0]=3 201 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.1 O=CC1=CN=C(C)N=C1 AK-36829 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.1 O=CC1=CN=C(N)C=C1 AK114395 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.1 O=CC1=CN=C(N)C=C1 AK125046 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.1 O=CC1=NC=C(Br)C=C1 AK-27944 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.1 O=CC1=NC=C(C)N=C1 AK-40389 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.1 O=CC1=NC=C(F)C=C1 AK-34624 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 O=CC=1C=CC(NC1)=O AK-28718 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [2,0,0,0,0,0|0,0,2]=4 214 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [2,0,0,0,0,0|2,0,0]=4 232 B11R1.83 BrCCC1=CC=C(C=C1)C#N AK-36209 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.83 C(C)OC1=CC=C(C=C1)C#C AK-43544 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.83 C(CC)C1=CC=C(C=C1)C#C AK-45627 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.83 C1=CC(=CC=C1OC)CNC AK-16703 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.83 CCNC1=CC=C(C=O)C=C1 AK-80937 [1,1,0,0,0,0|0,0,0]=2 237 B11R1.83 CNCC1=CC=C(C=C1)C#N AK-89888 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.83 CNCC1=CC=C(CC)C=C1 AK-78778 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.83 COC1=CC=C(C=CC)C=C1 AK111252 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.83 COC1=CC=C(CCO)C=C1 AK-53969 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.83 COC1=CC=C(CNC)C=C1 AK-16702 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 AK-93416 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.83 NCC1=CC=C(CCC)C=C1 AK-79061 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.83 NCC1=CC=C(OCC)C=C1 AK116322 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.83 NCCC1=CC=C(C#N)C=C1 AK-33612 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.83 O=CC1=CC=C(CCC)C=C1 AK115629 [1,1,0,0,0,0|0,0,0]=2 247 B11R1.83 O=CC1=CN=C(OCC)C=C1 AK-62192 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.83 O=CCC1=CC=C(OC)C=C1 AK-44388 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.83 OCCC1=CC=C(C=O)C=C1 AK-82074 [1,1,0,0,0,0|0,0,0]=2 250 B11R1.279 BrC1=C(C=O)C=CC(=C1)OC AK-35147 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.279 C1=C(C(=CC=C1C=O)OC)C AK-42538 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.279 C1=C(C(=CC=C1OC)C=O)C AK-35468 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.279 C1=C(C=CC(=C1F)C=O)OC AK-27171 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.279 C1=C(C=CC(=C1F)OC)C=O AK-34809 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.279 C1=C(C=CC(=C1O)C=O)OC AK-26247 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 AK-71229 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 AK-87995 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 AK-89840 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.279 ClC1=C(C=O)C=CC(=C1)OC AK-64556 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.279 N#CC1=CC=C(C=O)C(C)=C1 AK138989 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.279 N#CC1=CC=C(C=O)C(F)=C1 AK-25279 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.279 N#CC1=CC=C(C=O)C=C1F AK-30947 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.279 NC1=CC(CC)=CC=C1OC AK456630 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.279 O=CC1=C(Br)N=C(OC)C=C1 AK104750 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.279 O=CC1=CC=C(OC)C(Br)=C1 AK-79107 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.279 O=CC1=CC=C(OC)C(I)=C1 AK-81859 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.279 O=CC1=CC=C(OC)C(N)=C1 AK-34800 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.279 O=CC1=CC=C(OC)C(O)=C1 AK-26987 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 AK-76983 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.279 O=CC1=CN=C(OC)C=C1C AK-33020 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.279 OC1=CC(CC)=CC=C1C=O AK209435 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.19 CC(C1=CC=C(Br)C=C1)(C)C AK-88487 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 AK-67199 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.19 CC(O)(C1=CC=C(Br)C=C1)C AK-41776 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 AK-82203 [1,1,0,0,0,0|1,1,0]=4 276 B11R1.19 IC1=CC=C(C(C)(C)C)C=C1 AK-80497 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.19 NC1=CC=C(C(C)(C)C)C=C1 AK136142 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.21 C[C@@H](N)C1=CC=C(C)C(Cl)=C1 AK134018 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.21 C[C@@H](N)C1=CC=C(Cl)C(C)=C1 AK-42499 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.21 C[C@@H](N)C1=CC=C(Cl)C(Cl)=C1 AK172663 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.21 C[C@@H](N)C1=CC=C(Cl)C(F)=C1 AK-42083 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.21 C[C@@H](N)C1=CC=C(F)C(Cl)=C1 AK-42066 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.21 C[C@@H](N)C1=CC=C(F)C(F)=C1 AK-42176 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 AK110178 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.21 C[C@H](N)C1=CC=C(Br)C(Cl)=C1 AK172718 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.21 C[C@H](N)C1=CC=C(C)C(Cl)=C1 AK-42498 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.21 C[C@H](N)C1=CC=C(C)C(F)=C1 AK544256 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.21 C[C@H](N)C1=CC=C(Cl)C(F)=C1 AK-42082 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.21 C[C@H](N)C1=CC=C(F)C(Br)=C1 AK338978 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.21 C[C@H](N)C1=CC=C(F)C(C)=C1 AK-42488 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.21 C[C@H](N)C1=CC=C(F)C(C)=C1 AK119914 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.21 C[C@H](N)C1=CC=C(F)C(Cl)=C1 AK-42507 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.21 C[C@H](N)C1=CC=C(F)C(F)=C1 AK160111 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.22 BrC1=CC=C(C(N)CO)C=C1 AK607944 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.22 BrC1=CC=C([C@@H](N)CO)C=C1 AK172682 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=C1 AK486779 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.22 ClC1=CC=C([C@H](N)CO)C=C1 AK607971 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.22 FC1=CC=C([C@@H](N)CO)C=C1 AK117861 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117823 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117858 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AK101499 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [1,1,0,0,0,0|0,0,1]=3 318 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [1,1,0,0,0,0|1,0,1]=4 319 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 AK110007 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.22 OC[C@@H](N)C1=CC=C(Br)C=C1 AK338220 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.22 OC[C@H](N)C1=CC=C(Br)C=C1 AK202041 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.166 CC1=CC=C(C(Br)=C1)N(C)C AK136564 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.166 C[C@@H](N)C1=CC=C(Br)C=C1F AK544258 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.166 C[C@@H](N)C1=CC=C(Cl)C=C1C AK134023 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.166 C[C@@H](N)C1=CC=C(F)C=C1F AK-45015 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.166 C[C@H](N)C1=CC=C(Br)C=C1F AK189376 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.166 C[C@H](N)C1=CC=C(Cl)C=C1C AK134048 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.166 C[C@H](N)C1=CC=C(Cl)C=C1Cl AK130493 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1F AK-73153 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.166 FC1=C(C=CC(=C1)F)[C@H](C)N AK-42963 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.166 N[C@H](C1=CC=C(C)C=C1C)C AK477325 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.166 OC1=CC=C(C(C)C)C(C)=C1 AK113729 [1,1,0,0,0,0|0,0,1]=3 334 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 AK-81550 [1,1,0,0,0,0|0,0,1]=3 335 B11R1.45 O=CC1=CC(C(C)(C)C)=CN1 AK438766 [0,1,0,0,1,0|1,0,0]=3 336 B11R1.175 CC(C)C1=CC(=NN1)C(O)=O AK-36894 [0,1,0,0,1,0|2,0,0]=4 337 B11R1.175 CC(C)C1=NC(=CS1)C(O)=O AK-99998 [0,1,0,0,1,0|2,0,0]=4 338 B11R1.175 O=C(C1=CC=C(C(C)C)N1)O AK465872 [0,1,0,0,1,0|1,0,0]=3 339 B13R1.4 O=CC1=CC=C(CS(=O)(C)=O)C=C1 AK-54120 [0,1,0,0,0,1|2,0,0]=4 340 B13R1.5 O=C(OC)CC1=CC=C(C=O)C=C1 AK116482 [0,1,0,0,0,1|1,0,1]=4 341 B13R1.36 CC(C)C(C1=CC=C(OC)C=C1)O AK147299 [0,1,0,0,0,1|2,0,0]=4 342 B13R1.585 C1=C(OC(C)C)C=CC(=C1)B(O)O AK-33438 [0,1,0,0,0,1|1,0,1]=4 343 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(O)=O AK111059 [0,1,0,0,0,1|1,0,1]=4 344 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(C)=O AK-54552 [0,1,0,0,0,1|1,0,1]=4 345 B13R1.585 CC(C1=CC=C(CC(C)C)C=C1)=O AK208820 [0,1,0,0,0,1|0,0,0]=2 346 B13R1.585 CC(C1=CC=C(OC(F)F)C=C1)=O AK-26353 [0,1,0,0,0,1|2,0,0]=4 347 B13R1.585 O=C(O)C1=CC=C(CN(C)C)C=C1 AK163939 [0,1,0,0,0,1|1,0,0]=3 348 B13R1.585 O=C(O)C1=CC=C(NC(C)=O)C=C1 AK167261 [0,1,0,0,0,1|1,0,1]=4 349 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 AK-35299 [0,1,0,0,0,1|2,0,0]=4 350 B13R1.585 O=C(O)C1=CN=C(OC(C)C)C=C1 AK-61700 [0,1,0,0,0,1|1,0,0]=3 351 B13R1.585 O=[N+](C1=CC=C(CN(C)C)C=C1)[O-] AK-78055 [0,1,0,0,0,1|2,0,0]=4 352 B13R1.653 FC(OC1=C(C=C(C=O)C=C1)O)F AK-33404 [0,1,0,0,0,1|2,0,0]=4 353 B13R1.39 O=CC1=CC=C(N(CC)CC)N=C1 AK395921 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.95 O=C(OC)C1=CC=C(C=O)C=C1F AK-90622 [0,2,0,0,0,0|1,0,1]=4 355 B13R1.187 CC(C)(C1=CC=C(CBr)C=C1)C#N AK-79797 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.187 O=CC1=CC=C(S(=O)(CC)=O)C=C1 AK409953 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 AK-68272 [0,2,0,0,0,0|1,0,1]=4 358 B13R1.452 O=CC1=CC=C(N(CCCl)C)C=C1 AK112162 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.537 C1=C(C(=O)C)C=CC(=C1)C(OC)=O AK-47491 [0,2,0,0,0,0|1,0,1]=4 360 B13R1.537 C1=CC(=CC=C1C(O)=O)C(OC)=O AK-46603 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AK-79719 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.537 O=C(C1=CC=C(N(C)C)C=C1)C=O AK-10023 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.537 O=C(O)C1=CC=C(C(CBr)=O)C=C1 AK-77555 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.537 O=C(OC)C1=CC=C(C(Br)C)C=C1 AK159832 [0,2,0,0,0,0|1,0,0]=3 365 B13R1.537 O=C(OC)C1=CC=C(C(Cl)=O)C=C1 AK-54512 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.537 O=C(OC)C1=CC=C(C(N)C)C=C1 AK157267 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.537 O=C(OC)C1=CC=C([C@@H](N)C)C=C1 AK126757 [0,2,0,0,0,0|1,0,0]=3 368 B13R1.3088 COC(=O)C1=CC(Br)=C(C=O)C=C1 AK100357 [0,2,0,0,0,0|1,0,1]=4 369 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 AK-77093 [0,2,0,0,0,0|1,0,1]=4 370 B13R1.3088 O=C(OC)C1=CC=C(C=O)C(Cl)=C1 AK-51472 [0,2,0,0,0,0|1,0,1]=4 371 B13R1.38 C1=C(C(=CC=C1C(F)(F)F)C=O)Br AK-39535 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.38 FC(F)(F)C1=CC(Cl)=C(C=O)C=C1 AK-61950 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.38 O=CC1=CC=C(C(F)(F)F)C=C1F AK-26423 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.38 O=CC1=CC=C(C(F)(F)F)C=C1O AK321707 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.96 O=CC1=CC=C(C(F)(F)F)C(Cl)=C1 AK-75558 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.140 CC(C1=CC=C(CCO)C=C1)(C)C AK135110 [0,2,0,0,0,0|0,0,2]=4 377 B13R1.338 C1=C(C=CC(=C1)C(C)=O)C(F)(F)F AK-47359 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.338 C1=C(C=CC(=C1)C(O)=O)C(F)(F)F AK-73059 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.338 C1=C(C=CC(=C1)C(O)=O)[S](C)(=O)=O AK-46609 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.338 C1=CC(=CC=C1[S](C)(=O)=O)C(C)=O AK-47477 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.338 CC(C)(C)C1=CC=C(C=N1)C(O)=O AK-64757 [0,2,0,0,0,0|1,0,0]=3 382 B13R1.338 CC(C1=CC=C(B(O)O)C=C1)(C)C AK-33018 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.338 CC(C1=CC=C(B(O)O)C=C1)(O)C AK101674 [0,2,0,0,0,0|1,0,1]=4 384 B13R1.338 C[C@H](N)C1=CC=C(S(=O)(C)=O)C=C1 AK607982 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.338 NC(=O)C1=CC=C(C=C1)C(F)(F)F AK-41967 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.338 O=C(C1=NC=C(C(C)(C)C)N=C1)O AK161440 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.338 O=C([O-])C1=CC=C(C(F)(F)F)C=C1 AK135783 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.338 O=S(O)(C1=CC=C(N(C)C)C=C1)=O AK516753 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.338 O=[N+](C1=CC=C(C(C)(C)C)C=C1)[O-] AK135806 [0,2,0,0,0,0|1,0,0]=3 390 B13R1.120 NC1=CC([N+]([O-])=O)=CC=C1C(C)C AK100799 [0,2,0,0,0,0|1,0,0]=3 391 B13R1.120 O=C(O)C1=CC=C([C@@H](N)C)C=C1F AK608005 [0,2,0,0,0,0|1,0,0]=3 392 B13R1.120 O=[N+](C1=CC=C(C(C)C)C(Br)=C1)[O-] AK-43158 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.652 COC1=CC(F)=C(C(C)C)C=C1Br AK171873 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.99 O=CC1=CC=C(C(F)F)C(OC)=C1 AK343227 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.159 CC(C)C1=CC=CC(O)=C1O AK109526 [0,0,1,1,0,0|1,0,1]=4 396 B11R2.190 C=CC1=CC=C2CCC2=C1 AK113807 [1,0,0,1,0,0|1,0,0]=3 397 B11R2.190 O=CC1=CC=C2CCC2=C1 AK160835 [1,0,0,1,0,0|0,0,0]=2 398 B11R2.190 OCC1=CC=C2C=CC2=C1 AK163274 [1,0,0,1,0,0|2,0,0]=4 399 B11R2.34 BrC1=CC=C(C=C1)C2CC2 AK-76692 [1,0,0,1,0,0|1,0,0]=3 400 B11R2.34 BrC1=CN=C(C2CC2)C=C1 AK-83540 [1,0,0,1,0,0|2,0,0]=4 401 B11R2.34 BrC1=NC=C(C2CC2)C=C1 AK131652 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.34 FC1=NC=C(C2CC2)C=C1 AK132519 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.34 NC1=CC=C(C2CC2)C=C1 AK124361 [1,0,0,1,0,0|1,0,0]=3 404 B11R2.34 NC1=CC=C(C2CC2)N=C1 AK-64994 [1,0,0,1,0,0|2,0,0]=4 405 B11R2.34 NC1=NC=C(C2CC2)C=C1 AK129592 [1,0,0,1,0,0|2,0,0]=4 406 B11R2.34 O=C1C=CC(C2CC2)=CN1 AK132527 [1,0,0,1,0,0|1,0,0]=3 407 B11R2.34 O=C1C=CC(C2CC2)=NN1 AK140758 [1,0,0,1,0,0|2,0,0]=4 408 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [1,0,0,1,0,0|0,0,1]=3 409 B11R2.21 O=CC1=CN(C2CC2)N=C1 AK545507 [0,0,0,1,1,0|2,0,0]=4 410 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 AK139133 [0,1,0,1,0,0|1,0,1]=4 411 B13R2.2130 CN1N=CC2=CC(C=O)=CC=C12 AK-79258 [0,1,0,1,0,0|1,0,1]=4 412 B13R2.2130 O=CC1=CC=C2C(N=CN2C)=C1 AK-29077 [0,1,0,1,0,0|1,0,1]=4 413 B13R2.2130 O=CC1=CC=C2N(C)N=NC2=C1 AK-32046 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.428 CC(C1=CC=C(C2CC2)C=C1)=O AK129380 [0,1,0,1,0,0|0,0,0]=2 415 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 AK-64531 [0,1,0,1,0,0|1,0,0]=3 416 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 AK676644 [0,1,0,1,0,0|1,0,0]=3 417 B13R2.428 OC(=O)C1=CN=C(N=C1)C2CC2 AK-65901 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.21 C1=C(OC(=C1)C=O)CO AK-26249 [1,0,0,0,1,0|2,0,0]=4 419 B9R1.21 CCC1=CSC(C=O)=N1 AK-28976 [1,0,0,0,1,0|2,0,0]=4 420 B9R1.21 O=CC1=CC=C(SC)S1 AK114412 [1,0,0,0,1,0|2,0,0]=4 421 B9R1.21 O=CC1=CN(CC)N=C1 AK-45316 [1,0,0,0,1,0|2,0,0]=4 422 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [1,0,0,0,0,1|1,0,0]=3 423 B11R1.20 CC(OC1=CN=C(Cl)C=C1)C AK143478 [1,0,0,0,0,1|2,0,0]=4 424 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [1,0,0,0,0,1|2,0,0]=4 425 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [1,0,0,0,0,1|1,0,0]=3 426 B11R1.266 O=CC1=CC=CC(N(C)C)=C1 AK-45861 [0,0,0,0,1,1|1,0,0]=3 427 B13R1.3 O=CC1=CC=C(OCC(C)C)C=C1 AK-45922 [0,0,0,0,0,2|0,0,0]=2