0 B11R1.83 BrCCC1=CC=C(C=C1)C#N AK-36209 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.83 C(C)OC1=CC=C(C=C1)C#C AK-43544 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.83 C(CC)C1=CC=C(C=C1)C#C AK-45627 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.83 C1=CC(=CC=C1OC)CNC AK-16703 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.83 CCNC1=CC=C(C=O)C=C1 AK-80937 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.83 CNCC1=CC=C(C=C1)C#N AK-89888 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.83 CNCC1=CC=C(CC)C=C1 AK-78778 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.83 COC1=CC=C(C=CC)C=C1 AK111252 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.83 COC1=CC=C(CCO)C=C1 AK-53969 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.83 COC1=CC=C(CNC)C=C1 AK-16702 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 AK-93416 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.83 NCC1=CC=C(CCC)C=C1 AK-79061 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.83 NCC1=CC=C(OCC)C=C1 AK116322 [0,0,0,0,0,0|1,0,1]=2 13 B11R1.83 NCCC1=CC=C(C#N)C=C1 AK-33612 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.83 O=CC1=CC=C(CCC)C=C1 AK115629 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.83 O=CC1=CN=C(OCC)C=C1 AK-62192 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.83 OCCC1=CC=C(C=O)C=C1 AK-82074 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.1 C1=CC(=NN=C1OCC)N AK-24902 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.1 CCOC1=CC=C(Cl)N=N1 AK-53475 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.1 CCOC1=CN=C(N)C=N1 AK-24225 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.1 CCOC1=NC=C(Br)C=N1 AK-83464 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,0,0,0,0,0|1,0,1]=3 49 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,0,0,0,0,0|0,0,1]=2 51 B10R1.3 BrCC1=CC=C(CBr)C=C1 AK-86161 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.3 C#CC1=CC=C(CC)C=C1 AK-43371 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.3 C(=O)C1=CN=C(C=C1)C#N AK-49150 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.3 C1=C(C=CC(=C1)C#C)OC AK-47351 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.3 C1=C(C=CC(=C1)CN)C#N AK-33511 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.3 C1=CC(=CC=C1C#N)CBr AK-49481 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 C1=NC(=NC=C1C=O)OC AK-24039 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.3 CNC1=CC=C(OC)C=C1 AK-89674 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.3 COC1=CC=C(C=C)C=C1 AK-46470 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.3 COC1=CC=C(CN)C=N1 AK-34433 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.3 COC1=CC=C(CN)C=N1 AK100137 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.3 COC1=CC=C(CO)C=C1 AK-46460 [1,0,0,0,0,0|0,0,2]=3 63 B10R1.3 COC1=CC=C(CO)C=N1 AK-65086 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.3 COC1=CN=C(C#C)C=C1 AK123497 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.3 COC1=CN=C(OC)C=C1 AK161697 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.3 COC1=NC=C(CCl)C=C1 AK100139 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.3 COC1=NC=C(NN)C=C1 AK109318 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.3 N#CC1=CC=C(CN)C=C1 AK-45455 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.3 N#CC1=CC=C(CO)C=C1 AK142802 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.3 N#CC1=CC=C(OC)C=C1 AK-50195 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.3 NCC1=CC=C(C#C)C=C1 AK-80240 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.3 NCC1=CC=C(CN)C=C1 AK-76712 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.3 NCC1=CC=C(CO)C=C1 AK-32003 [1,0,0,0,0,0|1,0,2]=4 74 B10R1.3 NNC1=CC=C(CC)C=C1 AK-88865 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.3 NNC1=CC=C(OC)C=C1 AK-47322 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.3 O=CC1=CC=C(C#C)C=C1 AK-51699 [1,0,0,0,0,0|0,0,2]=3 77 B10R1.3 O=CC1=CC=C(C#N)C=C1 AK-41243 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.3 O=CC1=CC=C(C=N1)C#N AK-40989 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.3 O=CC1=CC=C(C=O)C=C1 AK-40107 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.3 O=CC1=CC=C(CCl)C=C1 AK113959 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.3 O=CC1=CN=C(OC)C=C1 AK-36019 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.3 O=CC1=CN=C(SC)N=C1 AK-29586 [1,0,0,0,0,0|2,1,0]=4 83 B10R1.3 O=CC1=NC=C(CC)C=C1 AK118117 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.3 O=CC1=NC=C(OC)C=C1 AK-34181 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.3 OCC1=CC=C(C#C)C=C1 AK164494 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.3 OCC1=CC=C(C=O)C=C1 AK-77797 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.3 OCC1=CC=C(CBr)C=C1 AK-81957 [1,0,0,0,0,0|1,0,2]=4 88 B10R1.3 OCC1=CC=C(CCl)C=C1 AK-64050 [1,0,0,0,0,0|1,0,2]=4 89 B10R1.3 OCC1=CC=C(CO)C=C1 AK-45211 [1,0,0,0,0,0|1,0,2]=4 90 B10R1.3 OCC1=NC=C(OC)C=C1 AK-33076 [1,0,0,0,0,0|1,0,2]=4 91 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 AK-43945 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.4 CC(NC1=CC=C(C=O)C=C1)=O AK-46288 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.4 CC(OC1=CC=C(CBr)C=C1)=O AK146329 [0,1,0,0,0,0|1,0,2]=4 94 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 AK116374 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.4 N#CC1=CN=C(OC(C)C)C=C1 AK136951 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.4 NNC1=CC=C(OC(C)C)C=C1 AK153556 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 AK-48956 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.4 O=CC1=CN=C(OC(C)C)C=C1 AK-62071 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.4 O=CC1=CN=C(OC(F)F)C=C1 AK132608 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.5 C(=O)C1=NC=C(C(=O)OC)C=C1 AK-30222 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.5 CC[C@@H](C1=CC=C(OC)C=C1)N AK134097 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.71 C(CCC)C1=CC=C(C=C1)C#C AK-47214 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.71 CCCOC1=CC=C(C#C)C=C1 AK-88362 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.71 CCCOC1=CC=C(C=O)C=C1 AK110805 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.71 CCNCC1=CC=C(OC)C=C1 AK-44604 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.71 N#CC1=CC=C(CCCO)C=C1 AK-48988 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.71 O=CC1=CC=C(OCCO)C=C1 AK135531 [0,1,0,0,0,0|0,0,0]=1 110 B12R1.113 C(C)OC1=NC=C(C=C1)B(O)O AK-35850 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.113 C1=C(C=CC(=C1)CCC)B(O)O AK-28770 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.113 CC(C1=CC=C(OCC)N=C1)=O AK160899 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.113 CCOC1=NC=C(N=C1)C(O)=O AK-59873 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.113 NCCC1=CC=C(C=C1)[N+]([O-])=O AK-77041 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.113 NCCC1=CC=C([N+]([O-])=O)C=C1 AK-50720 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 AK-77033 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.113 O=C(O)C1=CC=C(CCC)C=C1 AK116594 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.113 O=C(O)C1=CC=C(OCC)C=C1 AK112939 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.113 O=C(O)C1=NC=C(OCC)C=C1 AK-66857 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.113 O=[N+](C1=CC=C(C=C1)CCO)[O-] AK-42427 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.113 O=[N+](C1=CC=C(CCBr)C=C1)[O-] AK-42283 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.113 O=[N+](C1=CC=C(CNC)C=C1)[O-] AK684577 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.113 OB(C1=CC=C(OCC)C=C1)O AK-34189 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.113 OC(=O)C1=CC=C(CC#N)C=C1 AK-43276 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.114 O=CC1=CC=C(OCC)C(Br)=C1 AK-89163 [0,1,0,0,0,0|0,0,0]=1 126 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 AK151208 [0,0,0,1,0,0|1,0,0]=2 127 B12R2.44 C#CC1=CC=C2OCOC2=C1 AK395172 [0,0,0,1,0,0|2,0,1]=4 128 B12R2.44 C1=C(C=O)C=CC2=C1CCO2 AK-27740 [0,0,0,1,0,0|0,0,0]=1 129 B12R2.44 COC1=CC2=C(NCC2)C=C1 AK-34134 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.44 N#CC1=CC2=C(NCC2)C=C1 AK-31453 [0,0,0,1,0,0|2,0,1]=4 131 B12R2.44 N#CC1=CC=C2OCOC2=C1 AK100074 [0,0,0,1,0,0|2,0,1]=4 132 B12R2.44 O=CC1=CC2=C(C=C1)C=CN2 AK-45716 [0,0,0,1,0,0|2,0,1]=4 133 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 AK-99902 [0,0,0,1,0,0|2,0,1]=4 134 B12R2.44 O=CC1=CC2=C(NC=C2)C=C1 AK-45714 [0,0,0,1,0,0|1,0,2]=4 135 B12R2.44 O=CC1=CC2=C(NN=C2)C=C1 AK-34369 [0,0,0,1,0,0|2,0,1]=4 136 B12R2.44 O=CC1=CC2=C(OC=C2)C=N1 AK-43732 [0,0,0,1,0,0|1,0,2]=4 137 B12R2.44 O=CC1=CC2=NON=C2C=C1 AK105513 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.44 O=CC1=CC2=NSN=C2C=C1 AK-44933 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.44 O=CC1=CC=C2C=CSC2=C1 AK127851 [0,0,0,1,0,0|2,0,1]=4 140 B12R2.44 O=CC1=CC=C2CCCC2=C1 AK-46178 [0,0,0,1,0,0|1,0,0]=2 141 B12R2.44 O=CC1=CC=C2N=CSC2=C1 AK-64307 [0,0,0,1,0,0|2,0,1]=4 142 B12R2.44 O=CC1=CC=C2OC=CC2=C1 AK-28461 [0,0,0,1,0,0|0,0,2]=3 143 B12R2.44 O=CC1=CC=C2SC=NC2=C1 AK-80151 [0,0,0,1,0,0|1,1,1]=4 144 B10R1.96 CCCN1C=C(C=O)C=N1 AK110757 [0,0,0,0,1,0|3,0,0]=4 145 B10R1.96 CCCN1C=NC(C=O)=C1 AK-77383 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.96 O=CC1=CC=C(COC)O1 AK-97261 [0,0,0,0,1,0|3,0,0]=4 147 B9R0.48 CCOC(=O)/C=C/C(O)=O AK-48066 [1,0,1,0,0,0|2,0,0]=4 148 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [2,0,0,0,0,0|1,0,1]=4 151 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [2,0,0,0,0,0|0,0,2]=4 155 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.1 C1=NC(=CC=C1C=O)Br AK-25442 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.1 C1=NC(=CC=C1C=O)Cl AK-25624 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [2,0,0,0,0,0|0,0,0]=2 161 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [2,0,0,0,0,0|1,0,1]=4 163 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [2,0,0,0,0,0|0,0,1]=3 171 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 ClC1=CN=C(C=C1)C=O AK-44636 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 FC1=NC=C(C=C1)C=O AK-25098 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.1 O=C1C=CC(CO)=CN1 AK-29768 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [2,0,0,0,0,0|0,0,0]=2 192 B9R1.1 O=CC1=CN=C(C)N=C1 AK-36829 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 O=CC1=CN=C(N)C=C1 AK114395 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 O=CC1=CN=C(N)C=C1 AK125046 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 O=CC1=CN=C(O)N=C1 AK199230 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 O=CC1=NC=C(Br)C=C1 AK-27944 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.1 O=CC1=NC=C(C)N=C1 AK-40389 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 O=CC1=NC=C(F)C=C1 AK-34624 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.1 O=CC=1C=CC(NC1)=O AK-28718 [2,0,0,0,0,0|1,0,1]=4 201 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.1 OC1=CC=C(C=C1)C#N AK-44095 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [2,0,0,0,0,0|1,0,1]=4 204 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [2,0,0,0,0,0|0,0,2]=4 206 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.8 C1=CC=NN=C1OCC AK-50551 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.8 CCCC1=CC=NC=C1 AK109267 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.8 CCNC1=CC=CN=C1 AK126739 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.8 CNNC1=CC=CC=C1 AK119038 [2,0,0,0,0,0|2,0,0]=4 216 B11R1.1 CC1=CC=C(OCCO)C=C1 AK187911 [1,1,0,0,0,0|0,0,1]=3 217 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [1,1,0,0,0,0|0,0,1]=3 219 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [1,1,0,0,0,0|0,0,1]=3 221 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.1 FC1=CC=C(OCCBr)C=C1 AK135025 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.1 FC1=CC=C(OCCN)C=C1 AK136704 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.20 CC(OC1=CN=C(Cl)C=C1)C AK143478 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.20 OC1=CC=C(OC(F)F)C=C1 AK116337 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.81 CCCC1=C(O)C=C(O)C=C1 AK-81520 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.81 CCOC1=C(F)C=C(N)C=N1 AK100185 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.81 NC1=CC(Br)=CN=C1OCC AK-39617 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.81 NC1=CC(C)=CC=C1OCC AK327686 [1,1,0,0,0,0|0,0,1]=3 253 B11R1.81 NC1=CC=C(OCC)C(Cl)=C1 AK121334 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.81 NC1=CC=C(OCC)C(N)=C1 AK-93490 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.192 CC1=CC(OCC)=CC=C1Br AK-86746 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.192 CCCC1=CC=C(Br)C(F)=C1 AK-86763 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 AK-86745 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.192 FC1=CC(OCC)=CC=C1Br AK-61436 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.3 C(#C)C1=CC=C(C(=O)O)C=C1 AK-44236 [1,1,0,0,0,0|0,0,2]=4 260 B11R1.3 C1=C(C=CC(=C1)C=O)C(O)=O AK-45367 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.3 C1=C(C=CC(=C1)OC)B(O)O AK-39804 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.3 C1=C(N(C)C)C=CC(=C1)C=O AK-72833 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.3 C1=CC(=CC=C1[N+](=O)[O-])CO AK-46675 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.3 CC(C)C1=CC=C(CN)C=C1 AK-61820 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.3 CC(C1=CC=C(OC)N=C1)=O AK-76404 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [1,1,0,0,0,0|0,1,0]=3 272 B11R1.3 CCC1=CN=C(C=C1)C(O)=O AK-29521 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [1,1,0,0,0,0|0,0,2]=4 276 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [1,1,0,0,0,0|0,0,2]=4 277 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.3 COC1=CN=C(C=N1)C(=O)O AK-25141 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.3 N#CC1=CC=C([C@@H](N)C)C=C1 AK133451 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.3 N#CC1=CC=C([C@H](N)C)C=C1 AK133444 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.3 N=C(N)C1=CC=C(OC)C=C1 AK-98683 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.3 N=C(N)C1=CN=C(OC)C=C1 AK-76650 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.3 O=C(N)C1=CC=C(CN)C=C1 AK155450 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [1,1,0,0,0,0|0,0,0]=2 287 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [1,1,0,0,0,0|0,0,2]=4 288 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [1,1,0,0,0,0|0,0,0]=2 289 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-79152 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-88500 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [1,1,0,0,0,0|0,0,0]=2 292 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 AK123526 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 AK127091 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.3 O=CC1=CC=C([N+]([O-])=O)C=C1 AK-49906 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.3 OB(C1=CC=C(C=O)C=C1)O AK-45038 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.3 S=C(C1=CC=C(OC)N=C1)N AK-45169 [1,1,0,0,0,0|1,1,0]=4 297 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.279 BrC1=C(C#N)C=CC(=C1)OC AK-40998 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.279 BrC1=C(C=O)C=CC(=C1)OC AK-35147 [1,1,0,0,0,0|0,0,0]=2 300 B11R1.279 C1=C(C(=CC=C1C=O)OC)C AK-42538 [1,1,0,0,0,0|0,0,0]=2 301 B11R1.279 C1=C(C(=CC=C1OC)C=O)C AK-35468 [1,1,0,0,0,0|0,0,0]=2 302 B11R1.279 C1=C(C=CC(=C1F)C=O)OC AK-27171 [1,1,0,0,0,0|0,0,0]=2 303 B11R1.279 C1=C(C=CC(=C1F)OC)C=O AK-34809 [1,1,0,0,0,0|0,0,0]=2 304 B11R1.279 C1=C(C=CC(=C1O)C=O)OC AK-26247 [1,1,0,0,0,0|0,0,0]=2 305 B11R1.279 C1=C(C=CC(=C1O)OC)CO AK-46780 [1,1,0,0,0,0|0,0,2]=4 306 B11R1.279 CC1=CC(CCl)=CC=C1OC AK117491 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 AK-71229 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.279 COC1=C(C=C(C=C1)OC)O AK-75677 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.279 COC1=C(Cl)C=C(C=C1)C#N AK-45330 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 AK-87995 [1,1,0,0,0,0|0,0,0]=2 311 B11R1.279 COC1=C(N)C=C(CO)C=C1 AK-80791 [1,1,0,0,0,0|0,0,2]=4 312 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 AK-89840 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.279 COC1=CC=C(CBr)C=C1Cl AK-46361 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.279 COC1=CC=C(OC)C(Br)=C1 AK-44610 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.279 COC1=CC=C(OC)C(F)=C1 AK-53728 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.279 ClC1=C(C=O)C=CC(=C1)OC AK-64556 [1,1,0,0,0,0|0,0,0]=2 317 B11R1.279 N#CC1=CC=C(C=O)C(C)=C1 AK138989 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.279 N#CC1=CC=C(C=O)C(F)=C1 AK-25279 [1,1,0,0,0,0|1,0,1]=4 319 B11R1.279 N#CC1=CC=C(C=O)C=C1F AK-30947 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.279 N#CC1=CC=C(OC)C(Br)=C1 AK-32943 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.279 N#CC1=CC=C(OC)C(F)=C1 AK-78685 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.279 N#CC1=CC=C(OC)C(N)=C1 AK-40956 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.279 N#CC1=CC=C(OC)C=C1C AK-86230 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.279 N#CC1=CC=C(OC)C=C1Cl AK-33068 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.279 N#CC1=CC=C(OC)C=C1N AK-34954 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.279 N#CC1=CC=C(OC)C=C1O AK-26764 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.279 NC1=CC(CC)=CC=C1OC AK456630 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.279 NCC1=CC=C(OC)C(Cl)=C1 AK-16614 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.279 NCC1=CC=C(OC)C(F)=C1 AK117550 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.279 NNC1=CC=C(OC)C=C1F AK-86781 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.279 O=CC1=C(Br)N=C(OC)C=C1 AK104750 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.279 O=CC1=CC=C(OC)C(Br)=C1 AK-79107 [1,1,0,0,0,0|0,0,0]=2 333 B11R1.279 O=CC1=CC=C(OC)C(I)=C1 AK-81859 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.279 O=CC1=CC=C(OC)C(N)=C1 AK-34800 [1,1,0,0,0,0|0,0,0]=2 335 B11R1.279 O=CC1=CC=C(OC)C(O)=C1 AK-26987 [1,1,0,0,0,0|0,0,0]=2 336 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 AK-76983 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.279 O=CC1=CN=C(OC)C=C1C AK-33020 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.279 OC1=C(C=CC(=C1)C#N)OC AK-39764 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.279 OC1=CC(CC)=CC=C1C=O AK209435 [1,1,0,0,0,0|0,0,0]=2 340 B11R1.279 OCC1=CC=C(OC)C(Br)=C1 AK-34956 [1,1,0,0,0,0|0,0,2]=4 341 B13R1.4 O=CC1=CC=C(CS(=O)(C)=O)C=C1 AK-54120 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.5 O=C(OC)CC1=CC=C(C=O)C=C1 AK116482 [0,2,0,0,0,0|1,0,1]=4 343 B13R1.142 O=C(O)CC1=CC=C(CCC)C=C1 AK140344 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.585 C1=C(OC(C)C)C=CC(=C1)B(O)O AK-33438 [0,2,0,0,0,0|1,0,1]=4 345 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(O)=O AK111059 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(C)=O AK-54552 [0,2,0,0,0,0|0,0,1]=3 347 B13R1.585 CC(C1=CC=C(CC(C)C)C=C1)=O AK208820 [0,2,0,0,0,0|1,0,0]=3 348 B13R1.585 CC(C1=CC=C(OC(F)F)C=C1)=O AK-26353 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.585 O=C(O)C1=CC=C(CN(C)C)C=C1 AK163939 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.585 O=C(O)C1=CC=C(NC(C)=O)C=C1 AK167261 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 AK-35299 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.585 O=C(O)C1=CN=C(OC(C)C)C=C1 AK-61700 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.653 FC(OC1=C(C=C(C=O)C=C1)O)F AK-33404 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.39 O=CC1=CC=C(N(CC)CC)N=C1 AK395921 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.95 O=C(OC)C1=CC=C(C=O)C=C1F AK-90622 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 AK102538 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.187 O=CC1=CC=C(S(=O)(CC)=O)C=C1 AK409953 [0,2,0,0,0,0|0,1,0]=3 358 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 AK-68272 [0,2,0,0,0,0|0,0,0]=2 359 B13R1.452 O=C(OCC)C1=CC=C(C#C)C=C1 AK-83790 [0,2,0,0,0,0|1,0,1]=4 360 B13R1.452 O=C(OCC)C1=CC=C(C#N)C=C1 AK-76640 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.452 O=C(OCC)C1=CC=C(CN)C=C1 AK312480 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.452 O=C(OCC)C1=CC=C(OC)C=C1 AK114590 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.452 O=CC1=CC=C(N(CCCl)C)C=C1 AK112162 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.537 C1=C(C(=O)C)C=CC(=C1)C(OC)=O AK-47491 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.537 C1=CC(=CC=C1C(O)=O)C(OC)=O AK-46603 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.537 O=C(O)C1=CC=C(C(CBr)=O)C=C1 AK-77555 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.537 O=C(OC)C1=CC=C(C(Cl)=O)C=C1 AK-54512 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.3088 COC(=O)C1=CC(Br)=C(C=O)C=C1 AK100357 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 AK-77093 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.3088 O=C(OC)C1=CC=C(C=O)C(Cl)=C1 AK-51472 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.3 O=C(O)COC1=CC=C(C=O)C=C1 AK306098 [0,2,0,0,0,0|0,0,1]=3 372 B13R1.3 O=CC1=CC=C(OCC(C)C)C=C1 AK-45922 [0,2,0,0,0,0|0,0,0]=2 373 B13R1.74 C1=CC(=CC=C1C(O)=O)OCCC AK-48907 [0,2,0,0,0,0|0,0,0]=2 374 B13R1.74 O=C(O)C1=CC=C(CCCC)C=C1 AK109039 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.74 O=C(O)C1=CC=C(COCC)C=C1 AK393975 [0,2,0,0,0,0|0,0,0]=2 376 B13R1.74 O=[N+](C1=CC=C(CCNC)C=C1)[O-] AK-63611 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.74 O=[N+](C1=CC=C(OCCCl)C=C1)[O-] AK-34742 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.371 CCCCOC1=CC=C(C=O)C=C1 AK-87643 [0,2,0,0,0,0|0,0,0]=2 379 B13R1.371 COC1=CC=C(C=C1)COCCO AK481227 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.144 CCOC1=C(C)C=C(C=C1)B(O)O AK-42654 [0,2,0,0,0,0|1,0,1]=4 381 B13R1.385 CCOC1=CC(Cl)=C(C=C1)B(O)O AK-45193 [0,2,0,0,0,0|1,0,1]=4 382 B13R1.385 CCOC1=CC(F)=C(C=C1)B(O)O AK-61741 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.1254 CCOC1=C(F)C(F)=C(C=C1)C#N AK-87168 [0,2,0,0,0,0|1,0,1]=4 384 B11R1.13 FC1=C(F)C(OCC)=CC=C1 AK-45507 [0,0,1,1,0,0|2,0,0]=4 385 B11R2.34 BrC1=CC=C(C=C1)C2CC2 AK-76692 [1,0,0,1,0,0|2,0,0]=4 386 B11R2.34 NC1=CC=C(C2CC2)C=C1 AK124361 [1,0,0,1,0,0|2,0,0]=4 387 B11R2.34 O=C1C=CC(C2CC2)=CN1 AK132527 [1,0,0,1,0,0|2,0,0]=4 388 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [1,0,0,1,0,0|1,0,1]=4 389 B11R2.36 BrC1=CC2=C(NCC2)C=C1 AK-34182 [1,0,0,1,0,0|2,0,0]=4 390 B11R2.36 BrC1=CC=C2OCOC2=C1 AK-34440 [1,0,0,1,0,0|2,0,0]=4 391 B11R2.36 ClC1=CC=C2OCCC2=C1 AK143639 [1,0,0,1,0,0|1,0,0]=3 392 B11R2.36 FC1=CC2=C(CCC2)C=C1 AK105101 [1,0,0,1,0,0|2,0,0]=4 393 B11R2.36 NC1=CC2=C(OCO2)C=C1 AK-33266 [1,0,0,1,0,0|2,0,0]=4 394 B11R2.36 NC1=CC=C2OCCC2=C1 AK109466 [1,0,0,1,0,0|1,0,0]=3 395 B11R2.36 NC1=CC=C2OCOC2=C1 AK100870 [1,0,0,1,0,0|2,0,0]=4 396 B11R2.36 OC1=CC2=C(NCC2)C=C1 AK-60844 [1,0,0,1,0,0|1,0,1]=4 397 B11R2.190 C=CC1=CC=C2CCC2=C1 AK113807 [1,0,0,1,0,0|1,0,0]=3 398 B11R2.190 O=CC1=CC=C2CCC2=C1 AK160835 [1,0,0,1,0,0|0,0,0]=2 399 B11R2.190 OCC1=CC=C2C=CC2=C1 AK163274 [1,0,0,1,0,0|2,0,0]=4 400 B13R2.57 NCC1=CC=C2OCCOC2=C1 AK-45574 [0,1,0,1,0,0|1,0,1]=4 401 B13R2.57 O=CC1=CC=C2OCCOC2=C1 AK-39207 [0,1,0,1,0,0|0,0,0]=2 402 B13R2.669 CN1N=CC2=CC=C(C=O)C=C12 AK-79259 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.669 O=CC1=CC=C2C(N(C)C=N2)=C1 AK-28914 [0,1,0,1,0,0|1,0,1]=4 404 B13R2.428 CC(C1=CC=C(C2CC2)C=C1)=O AK129380 [0,1,0,1,0,0|1,0,0]=3 405 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 AK-64531 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 AK676644 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.430 C1=C2C(=CC=C1B(O)O)OCC2 AK-26968 [0,1,0,1,0,0|1,0,1]=4 408 B13R2.430 O=C(C1=CC2=C(NCC2)C=C1)O AK-44285 [0,1,0,1,0,0|1,0,0]=3 409 B13R2.430 O=C(C1=CC=C2OCCC2=C1)N AK143641 [0,1,0,1,0,0|0,0,0]=2 410 B13R2.430 O=C(C1=CC=C2OCOC2=C1)O AK-79145 [0,1,0,1,0,0|1,0,0]=3 411 B13R2.430 O=[N+](C1=CC2=C(NCC2)C=C1)[O-] AK-86451 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.430 O=[N+](C1=CC=C2OCCC2=C1)[O-] AK143391 [0,1,0,1,0,0|1,0,0]=3 413 B13R2.430 OC(=O)C1=CC2=C(OC=C2)C=C1 AK-29581 [0,1,0,1,0,0|0,0,2]=4 414 B13R2.430 OC(=O)C1=CC2=C(OC=N2)C=C1 AK-82316 [0,1,0,1,0,0|1,0,1]=4 415 B13R2.449 BrCCC1=CC=C2OCCC2=C1 AK-25344 [0,1,0,1,0,0|1,0,1]=4 416 B13R2.449 C1=C(C=C2C(=C1)C=C[NH]2)OCC AK-39304 [0,1,0,1,0,0|1,0,0]=3 417 B13R2.449 CCOC1=CC2=C(NC=C2)C=C1 AK-21810 [0,1,0,1,0,0|1,0,0]=3 418 B13R2.599 O=CC1=C(Br)C=C2OCOC2=C1 AK-28844 [0,1,0,1,0,0|1,0,0]=3 419 B9R0.34 O=C(OCC)\C=C(C)\C=O AK-45194 [0,0,1,0,1,0|1,0,1]=4 420 B9R1.21 C1=C(OC(=C1)C=O)CO AK-26249 [1,0,0,0,1,0|2,0,0]=4 421 B9R1.21 CCC1=CSC(C=O)=N1 AK-28976 [1,0,0,0,1,0|2,0,0]=4 422 B9R1.21 COC1=NC=C(S1)C=O AK-27989 [1,0,0,0,1,0|2,0,0]=4 423 B9R1.21 O=CC1=CC=C(SC)S1 AK114412 [1,0,0,0,1,0|1,1,0]=4 424 B9R1.21 O=CC1=CN(CC)N=C1 AK-45316 [1,0,0,0,1,0|2,0,0]=4