0 B11R1.83 C(C)OC1=CC=C(C=C1)C#C AK-43544 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.83 C(CC)C1=CC=C(C=C1)C#C AK-45627 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.83 C1=CC(=CC=C1OC)CNC AK-16703 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.83 CCNC1=CC=C(C=O)C=C1 AK-80937 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.83 CNCC1=CC=C(C=C1)C#N AK-89888 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.83 CNCC1=CC=C(CC)C=C1 AK-78778 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.83 COC1=CC=C(C=CC)C=C1 AK111252 [0,0,0,0,0,0|0,0,0]=0 7 B11R1.83 COC1=CC=C(CCO)C=C1 AK-53969 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.83 COC1=CC=C(CNC)C=C1 AK-16702 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.83 COC1=CN=C(CCN)C=C1 AK160805 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 AK-93416 [0,0,0,0,0,0|0,0,0]=0 11 B11R1.83 N#CCC1=NC=C(OC)C=C1 AK161991 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.83 NCC1=CC=C(CCC)C=C1 AK-79061 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.83 NCC1=CC=C(OCC)C=C1 AK116322 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.83 NNCC1=CC=C(OC)C=C1 AK-33977 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.83 O=CC1=CC=C(CCC)C=C1 AK115629 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.83 O=CCC1=CC=C(OC)C=C1 AK-44388 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.83 ONCC1=CC=C(OC)C=C1 AK123262 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.83 [NH3+]OCC1=CC=C(OC)C=C1 AK-96413 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,0,0,0,0,0|0,0,2]=3 35 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.3 C#CC1=CC=C(CC)C=C1 AK-43371 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.3 C1=C(C=CC(=C1)C#C)OC AK-47351 [1,0,0,0,0,0|0,0,2]=3 39 B10R1.3 C1=NC(=NC=C1C=O)OC AK-24039 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.3 CNC1=CC=C(OC)C=C1 AK-89674 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.3 COC1=CC=C(C=C)C=C1 AK-46470 [1,0,0,0,0,0|0,0,0]=1 42 B10R1.3 COC1=CC=C(CN)C=N1 AK-34433 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.3 COC1=CC=C(CN)C=N1 AK100137 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.3 COC1=CC=C(CO)C=C1 AK-46460 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.3 COC1=CC=C(CO)C=N1 AK-65086 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.3 COC1=CN=C(C#C)C=C1 AK123497 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.3 COC1=CN=C(OC)C=C1 AK161697 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.3 COC1=NC=C(CCl)C=C1 AK100139 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.3 COC1=NC=C(NN)C=C1 AK109318 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.3 COC1=NN=C(OC)C=C1 AK-65085 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.3 N#CC1=CC=C(OC)C=C1 AK-50195 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.3 NNC1=CC=C(CC)C=C1 AK-88865 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.3 NNC1=CC=C(OC)C=C1 AK-47322 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.3 O=CC1=CC=C(C#C)C=C1 AK-51699 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.3 O=CC1=CC=C(C#N)C=C1 AK-41243 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.3 O=CC1=CC=C(C=O)C=C1 AK-40107 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.3 O=CC1=CC=C(CCl)C=C1 AK113959 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.3 O=CC1=CN=C(OC)C=C1 AK-36019 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.3 O=CC1=NC=C(CC)C=C1 AK118117 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.3 O=CC1=NC=C(OC)C=C1 AK-34181 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.3 OCC1=CC=C(C=O)C=C1 AK-77797 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.3 OCC1=NC=C(OC)C=C1 AK-33076 [1,0,0,0,0,0|2,0,1]=4 63 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [0,1,0,0,0,0|0,0,1]=2 64 B12R1.4 C1=CC(=CC=C1OC)CC(O)=O AK-47564 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.4 CC(NC1=CC=C(C#N)C=C1)=O AK-80147 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.4 CC(NC1=CC=C(C=O)C=C1)=O AK-46288 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.4 CC(NC1=CC=C(CN)C=C1)=O AK144131 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.4 CC(OC1=CC=C(CBr)C=C1)=O AK146329 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.4 O=C(O)CC1=CC=C(SC)C=C1 AK-45539 [0,1,0,0,0,0|1,1,1]=4 70 B12R1.5 C(C)C1=CC=C(C=C1)C(=O)C=O AK-10028 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.5 C1=CC(=CC=C1C(OC)=O)C#N AK-46102 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,1,0,0,0,0|1,0,1]=3 75 B12R1.5 CCC1=CC=C(C=C1)C(=O)CBr AK110622 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.5 CC[C@@H](C1=CC=C(OC)C=C1)N AK134097 [0,1,0,0,0,0|0,0,2]=3 77 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.5 COC1=CC=C(C(N)CO)C=C1 AK668329 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AK548216 [0,1,0,0,0,0|1,0,2]=4 81 B12R1.5 N=C(NO)C1=NC=C(OC)C=C1 AK-77054 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 AK-88481 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.5 O=C(OC)C1=CC=C(NN)C=C1 AK165897 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 AK-29959 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.5 OCC(N)C1=CC=C(OC)C=C1 AK200151 [0,1,0,0,0,0|1,0,2]=4 88 B12R1.71 CCNCC1=CC=C(OC)C=C1 AK-44604 [0,1,0,0,0,0|0,0,2]=3 89 B12R1.71 O=CNCC1=CC=C(OC)C=C1 AK201126 [0,1,0,0,0,0|1,0,1]=3 90 B12R1.114 N#CCC1=CC=C(OC)C=C1C AK-34434 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.116 COCC1=CC=C(COC)C=C1 AK114569 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.288 C1=C(C=CC(=C1F)OC)CC#N AK-39815 [0,1,0,0,0,0|1,0,2]=4 93 B12R1.288 OC1=CC(CCN)=CC=C1OC AK129564 [0,1,0,0,0,0|1,0,2]=4 94 B12R2.44 C1=C(C#N)C=CC2=C1[NH]C=C2 AK-27644 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.44 C1=C(C=C2C(=C1)C=C[NH]2)OC AK-16433 [0,0,0,1,0,0|1,0,0]=2 96 B12R2.44 CNC1=CC=C2C(NC=C2)=N1 AK158150 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.44 COC1=CC2=C(C=C1)CCN2 AK-29279 [0,0,0,1,0,0|1,0,2]=4 98 B12R2.44 COC1=CC2=C(CNC2)C=C1 AK-37538 [0,0,0,1,0,0|1,0,1]=3 99 B12R2.44 COC1=CC2=C(NC=C2)C=C1 AK-45962 [0,0,0,1,0,0|1,0,1]=3 100 B12R2.44 COC1=CC2=C(NC=C2)C=N1 AK165287 [0,0,0,1,0,0|2,0,1]=4 101 B12R2.44 COC1=CC2=C(NCC2)C=C1 AK-34134 [0,0,0,1,0,0|1,0,1]=3 102 B12R2.44 COC1=CC=2NC=CC2C=N1 AK-59581 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.44 COC1=CC=C2C(=C1)[NH]N=C2 AK-23867 [0,0,0,1,0,0|2,0,0]=3 104 B12R2.44 COC1=CC=C2C=CCC2=C1 AK-99957 [0,0,0,1,0,0|0,0,0]=1 105 B12R2.44 COC1=CC=C2C=COC2=C1 AK103188 [0,0,0,1,0,0|1,0,0]=2 106 B12R2.44 COC1=CC=C2N=CSC2=C1 AK-24193 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.44 COC1=CC=C2NN=NC2=C1 AK126169 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.44 COC1=CN2C(C=C1)=NC=C2 AK-93100 [0,0,0,1,0,0|2,0,1]=4 109 B12R2.44 COC1=CN=C2[NH]C=CC2=C1 AK-24543 [0,0,0,1,0,0|2,0,1]=4 110 B12R2.44 O=CC1=CC2=C(C=C1)C=CN2 AK-45716 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.44 O=CC1=CC=C2C=CSC2=C1 AK127851 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [2,0,0,0,0,0|1,0,1]=4 114 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [2,0,0,0,0,0|1,0,1]=4 117 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [2,0,0,0,0,0|1,0,1]=4 118 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.1 CC1=NN=C(OC)C=C1 AK136314 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [2,0,0,0,0,0|1,0,0]=3 130 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [2,0,0,0,0,0|1,0,1]=4 137 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [2,0,0,0,0,0|1,0,0]=3 143 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [2,0,0,0,0,0|0,0,0]=2 145 B9R1.1 OC1=CC=C(C=C1)C#N AK-44095 [2,0,0,0,0,0|1,0,1]=4 146 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [2,0,0,0,0,0|1,0,1]=4 148 B9R1.8 CNNC1=CC=CC=C1 AK119038 [2,0,0,0,0,0|2,0,0]=4 149 B11R1.1 CC1=CC=C(OCCO)C=C1 AK187911 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [1,1,0,0,0,0|0,0,2]=4 151 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [1,1,0,0,0,0|0,0,2]=4 152 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [1,1,0,0,0,0|0,0,2]=4 153 B11R1.1 O=C\C=C\C1=CC=C(C)C=C1 AK101325 [1,1,0,0,0,0|0,0,1]=3 154 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 AK128976 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK131808 [1,1,0,0,0,0|0,0,1]=3 156 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK316818 [1,1,0,0,0,0|0,0,1]=3 157 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [1,1,0,0,0,0|0,0,2]=4 158 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.20 CC(NC1=CC=C(O)N=C1)=O AK152813 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.20 S=C(N)NC1=CC=C(C)C=C1 AK161770 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [1,1,0,0,0,0|0,0,1]=3 174 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [1,1,0,0,0,0|0,0,2]=4 175 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.22 O=C(C1=CC=C(F)C=C1)C=O AK-10004 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.81 CCCC1=C(O)C=C(O)C=C1 AK-81520 [1,1,0,0,0,0|0,0,2]=4 191 B11R1.81 NC1=CC(C)=CC=C1OCC AK327686 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.192 CNCC1=CC=C(C)C(C)=C1 AK-82567 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.3 C1=C(C=CC(=C1)OC)B(O)O AK-39804 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.3 C1=C(N(C)C)C=CC(=C1)C=O AK-72833 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.3 C=CC1=CC=C([N+]([O-])=O)C=C1 AK135882 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.3 CC(C1=CC=C(OC)N=C1)=O AK-76404 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [1,1,0,0,0,0|0,1,0]=3 201 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [1,1,0,0,0,0|0,0,1]=3 203 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [1,1,0,0,0,0|0,0,1]=3 204 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [1,1,0,0,0,0|0,0,1]=3 205 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.3 N=C(N)C1=CC=C(OC)C=C1 AK-98683 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.3 N=C(N)C1=CN=C(OC)C=C1 AK-76650 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.3 OB(C1=CC=C(C=C)C=C1)O AK-45734 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.3 S=C(C1=CC=C(OC)N=C1)N AK-45169 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [1,1,0,0,0,0|0,0,1]=3 217 B11R1.279 BrC1=C(C#N)C=CC(=C1)OC AK-40998 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.279 BrC1=C(C=O)C=CC(=C1)OC AK-35147 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.279 C1=C(C(=CC=C1C=O)OC)C AK-42538 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.279 C1=C(C(=CC=C1OC)C=O)C AK-35468 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.279 C1=C(C=CC(=C1F)C=O)OC AK-27171 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.279 C1=C(C=CC(=C1F)OC)C=O AK-34809 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.279 C1=C(C=CC(=C1O)C=O)OC AK-26247 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.279 C1=C(C=CC(=C1O)OC)CO AK-46780 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.279 CC1=CC(CCl)=CC=C1OC AK117491 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 AK-71229 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.279 COC1=C(C=C(C=C1)OC)O AK-75677 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.279 COC1=C(Cl)C=C(C=C1)C#N AK-45330 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 AK-87995 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.279 COC1=C(N)C=C(CO)C=C1 AK-80791 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 AK-89840 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.279 COC1=CC=C(CBr)C=C1Cl AK-46361 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.279 COC1=CC=C(OC)C(Br)=C1 AK-44610 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.279 COC1=CC=C(OC)C(F)=C1 AK-53728 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.279 ClC1=C(C=O)C=CC(=C1)OC AK-64556 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.279 N#CC1=CC=C(OC)C(Br)=C1 AK-32943 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.279 N#CC1=CC=C(OC)C(F)=C1 AK-78685 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.279 N#CC1=CC=C(OC)C(N)=C1 AK-40956 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.279 N#CC1=CC=C(OC)C=C1C AK-86230 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.279 N#CC1=CC=C(OC)C=C1Cl AK-33068 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.279 N#CC1=CC=C(OC)C=C1N AK-34954 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.279 N#CC1=CC=C(OC)C=C1O AK-26764 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.279 NC1=CC(CC)=CC=C1OC AK456630 [1,1,0,0,0,0|0,0,1]=3 244 B11R1.279 NCC1=CC=C(OC)C(Cl)=C1 AK-16614 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.279 NCC1=CC=C(OC)C(F)=C1 AK117550 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.279 NNC1=CC=C(OC)C=C1F AK-86781 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.279 O=CC1=C(Br)N=C(OC)C=C1 AK104750 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.279 O=CC1=CC=C(OC)C(Br)=C1 AK-79107 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.279 O=CC1=CC=C(OC)C(I)=C1 AK-81859 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.279 O=CC1=CC=C(OC)C(N)=C1 AK-34800 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.279 O=CC1=CC=C(OC)C(O)=C1 AK-26987 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 AK-76983 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.279 O=CC1=CN=C(OC)C=C1C AK-33020 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.279 OC1=C(C=CC(=C1)C#N)OC AK-39764 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.279 OC1=CC(CC)=CC=C1C=O AK209435 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.279 OCC1=CC=C(OC)C(Br)=C1 AK-34956 [1,1,0,0,0,0|1,0,1]=4 257 B13R1.5 OCC(N)CC1=CC=C(OC)C=C1 AK158853 [0,2,0,0,0,0|0,0,2]=4 258 B13R1.35 COC1=C(N)C=C(NC(C)=O)C=C1 AK-95901 [0,2,0,0,0,0|1,0,0]=3 259 B13R1.35 O=C(O)CC1=CC=C(OC)C(F)=C1 AK-35215 [0,2,0,0,0,0|1,0,1]=4 260 B13R1.35 O=C(O)CC1=CC=C(OC)C(O)=C1 AK-78787 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.36 CC(C)C(C1=CC=C(OC)C=C1)O AK147299 [0,2,0,0,0,0|0,0,2]=4 262 B13R1.36 CC(C1=CC=C(OC)C=C1)C(O)=O AK139354 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.36 O=C(O)C(N)C1=CC=C(OC)C=C1 AK-44576 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.36 O=C(O)[C@@H](O)C1=CC=C(OC)C=C1 AK-43949 [0,2,0,0,0,0|1,0,1]=4 265 B13R1.36 O=C(O)[C@H](O)C1=CC=C(OC)C=C1 AK-45069 [0,2,0,0,0,0|1,0,1]=4 266 B13R1.36 OC(C1=CC=C(OC)C=C1)C(O)=O AK-46464 [0,2,0,0,0,0|1,0,1]=4 267 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(C)=O AK-54552 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.653 FC1=C(C=CC(=C1)OC)CC(=O)O AK-36689 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.95 COC(=O)C1=C(Br)C=C(OC)C=C1 AK-41153 [0,2,0,0,0,0|1,0,0]=3 270 B13R1.95 COC(=O)C1=C(N)C=C(OC)C=C1 AK-44370 [0,2,0,0,0,0|1,0,0]=3 271 B13R1.95 O=C(OC)C1=C(Cl)N=C(OC)C=C1 AK128815 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.95 O=C(OC)C1=CC=C(OC)C=C1O AK-89760 [0,2,0,0,0,0|1,0,0]=3 273 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 AK102538 [0,2,0,0,0,0|2,0,0]=4 274 B13R1.452 O=C(OCC)C1=CC=C(OC)C=C1 AK114590 [0,2,0,0,0,0|0,0,1]=3 275 B13R1.537 C1=C(C(=O)C)C=CC(=C1)C(OC)=O AK-47491 [0,2,0,0,0,0|2,0,0]=4 276 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AK-79719 [0,2,0,0,0,0|2,0,0]=4 277 B13R1.537 O=C(C1=CC=C(N(C)C)C=C1)C=O AK-10023 [0,2,0,0,0,0|2,0,0]=4 278 B13R1.537 O=C(OC)C1=CC=C(C(Br)C)C=C1 AK159832 [0,2,0,0,0,0|2,0,0]=4 279 B13R1.537 O=C(OC)C1=CC=C(C(N)C)C=C1 AK157267 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.537 O=C(OC)C1=CC=C([C@@H](N)C)C=C1 AK126757 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.3088 CCC(C1=CC=C(OC)C(F)=C1)=O AK116127 [0,2,0,0,0,0|0,0,1]=3 282 B13R1.3088 COC(=O)C1=CN=C(OC)C(Cl)=C1 AK-70260 [0,2,0,0,0,0|2,0,0]=4 283 B13R1.3088 COC(C1=CC(=C(C=C1)OC)O)=O AK-30110 [0,2,0,0,0,0|1,0,0]=3 284 B13R1.3088 O=C(OC)C1=CC=C(CC)C(I)=C1 AK133686 [0,2,0,0,0,0|2,0,0]=4 285 B13R1.3088 O=C(OC)C1=CN=C(OC)C(F)=C1 AK128807 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.3088 O=C(OC)C1=CN=C(OC)C(O)=C1 AK159055 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.3088 O=C(OC)C1=NC(Br)=C(OC)C=C1 AK-59851 [0,2,0,0,0,0|2,0,0]=4 288 B13R1.3 COC1=CC=C(C=CC(O)=O)C=C1 AK-98686 [0,2,0,0,0,0|0,0,1]=3 289 B13R1.3 O=C(N)NCC1=CC=C(OC)C=C1 AK124246 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.3 O=C(O)C#CC1=CC=C(OC)C=C1 AK-98790 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.3 O=C(O)CCC1=CC=C(OC)C=C1 AK-88471 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.3 O=C(O)COC1=CC=C(OC)C=C1 AK140534 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.3 O=C(O)\C=C\C1=CC=C(SC)C=C1 AK305277 [0,2,0,0,0,0|0,1,1]=4 294 B13R1.3 O=[N+](\C=C\C1=CC=C(OC)C=C1)[O-] AK677721 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.371 C1=CC(=CC=C1CCCCO)OC AK-26064 [0,2,0,0,0,0|0,0,2]=4 296 B13R1.371 COC1=CC=C(C=C1)COCCO AK481227 [0,2,0,0,0,0|0,0,2]=4 297 B13R1.577 COC1=CC=C(NCCO)C=C1N AK-94221 [0,2,0,0,0,0|1,0,1]=4 298 B13R1.577 NC1=CC(NCCO)=CC=C1OC AK-32269 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 AK-80200 [0,2,0,0,0,0|1,0,1]=4 300 B11R1.267 C1=CC=C(C(=C1OC)N)OC AK-34475 [0,0,1,1,0,0|2,0,0]=4 301 B11R1.267 COC1=C(I)C(OC)=CC=C1 AK-49475 [0,0,1,1,0,0|2,0,0]=4 302 B11R1.267 COC1=CC=CC(C=O)=C1N AK-24684 [0,0,1,1,0,0|2,0,0]=4 303 B11R1.267 COC1=CC=CC(OC)=C1Br AK-60546 [0,0,1,1,0,0|2,0,0]=4 304 B11R1.267 COC1=CC=CC(OC)=C1Cl AK-80368 [0,0,1,1,0,0|2,0,0]=4 305 B11R1.267 COC1=CC=CC(OC)=C1O AK-96006 [0,0,1,1,0,0|2,0,0]=4 306 B11R1.267 O=CC1=CC=CC(OC)=C1Br AK145199 [0,0,1,1,0,0|2,0,0]=4 307 B11R1.267 O=CC1=CC=CC(OC)=C1Cl AK174330 [0,0,1,1,0,0|2,0,0]=4 308 B11R1.267 OC1=C(OC)C=CC=C1C=O AK-45746 [0,0,1,1,0,0|2,0,0]=4 309 B11R1.280 COC1=C(C=CC(=C1)OC)O AK-33135 [0,0,1,1,0,0|2,0,0]=4 310 B11R1.280 COC1=CC=C(Br)C(OC)=C1 AK-53702 [0,0,1,1,0,0|2,0,0]=4 311 B11R1.280 O=CC1=CC(OC)=CC=C1Br AK-28118 [0,0,1,1,0,0|2,0,0]=4 312 B11R1.280 O=CC1=CC(OC)=CC=C1Cl AK114432 [0,0,1,1,0,0|2,0,0]=4 313 B11R1.280 O=CC1=CC(OC)=CC=C1O AK-87163 [0,0,1,1,0,0|2,0,0]=4 314 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [1,0,0,1,0,0|0,0,2]=4 315 B11R2.36 BrC1=CC2=C(C=C1)C=CC2 AK113550 [1,0,0,1,0,0|1,0,0]=3 316 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 AK-27128 [1,0,0,1,0,0|2,0,0]=4 317 B11R2.36 BrC1=CC=C2C=COC2=C1 AK113765 [1,0,0,1,0,0|2,0,0]=4 318 B11R2.36 C1=C(O)C=CC2=C1SC=N2 AK-23865 [1,0,0,1,0,0|2,0,0]=4 319 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 AK-30411 [1,0,0,1,0,0|1,0,1]=4 320 B11R2.36 C1=CC2=C([NH]1)C=CC(=C2)O AK-39838 [1,0,0,1,0,0|1,0,1]=4 321 B11R2.36 C1=C[NH]C2=C1C=CC(=C2)Br AK-24752 [1,0,0,1,0,0|2,0,0]=4 322 B11R2.36 CC1=CC2=C(C=C1)C=CN2 AK-16454 [1,0,0,1,0,0|1,0,0]=3 323 B11R2.36 CC1=CC2=C(C=CN2)C=N1 AK-59568 [1,0,0,1,0,0|2,0,0]=4 324 B11R2.36 CC1=CC=C2C(NC=C2)=N1 AK-59582 [1,0,0,1,0,0|2,0,0]=4 325 B11R2.36 CC1=CC=C2C=CSC2=C1 AK-61037 [1,0,0,1,0,0|1,0,0]=3 326 B11R2.36 CC1=CC=C2C=NNC2=C1 AK-50052 [1,0,0,1,0,0|2,0,0]=4 327 B11R2.36 CC1=CC=C2NC=NC2=C1 AK-87161 [1,0,0,1,0,0|2,0,0]=4 328 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 AK-27245 [1,0,0,1,0,0|2,0,0]=4 329 B11R2.36 FC1=CC2=C(C=C1)C=CN2 AK-26628 [1,0,0,1,0,0|2,0,0]=4 330 B11R2.36 IC1=CC2=C(C=CN2)C=C1 AK-31785 [1,0,0,1,0,0|2,0,0]=4 331 B11R2.36 OC1=CC2=C(C=NO2)C=C1 AK-24400 [1,0,0,1,0,0|2,0,0]=4 332 B11R2.36 OC1=CC2=C(NCC2)C=C1 AK-60844 [1,0,0,1,0,0|1,0,1]=4 333 B11R2.36 OC1=CC2=C(SC=N2)C=C1 AK-40507 [1,0,0,1,0,0|2,0,0]=4 334 B11R2.36 OC1=CC2=NC=CN2C=C1 AK104038 [1,0,0,1,0,0|2,0,0]=4 335 B11R2.36 OC1=CC=C2NC=NC2=C1 AK-45322 [1,0,0,1,0,0|2,0,0]=4 336 B11R2.36 OC1=CN=C2C=CSC2=C1 AK-38475 [1,0,0,1,0,0|2,0,0]=4 337 B11R2.36 [NH]1C2=NC(=CC=C2C=C1)O AK-26805 [1,0,0,1,0,0|2,0,0]=4 338 B11R2.190 C=CC1=CC=C2CCC2=C1 AK113807 [1,0,0,1,0,0|1,0,0]=3 339 B11R2.190 O=CC1=CC=C2CCC2=C1 AK160835 [1,0,0,1,0,0|2,0,0]=4 340 B11R2.190 OCC1=CC=C2C=CC2=C1 AK163274 [1,0,0,1,0,0|2,0,0]=4 341 B13R2.2121 BrC1=NC2=C(S1)C=C(C=C2)OC AK-23615 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.2121 C1=CC(=CC2=C1N=C(N)S2)OC AK-26975 [0,1,0,1,0,0|2,0,0]=4 343 B13R2.2121 CC=1NC2=C(C1)C=C(C=C2)OC AK-32805 [0,1,0,1,0,0|1,0,0]=3 344 B13R2.2121 CN1N=C2C=CC(OC)=CC2=C1 AK270401 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.2121 COC1=CC2=C(C=N1)C=C(C)N2 AK476359 [0,1,0,1,0,0|1,0,0]=3 346 B13R2.2121 COC1=CC2=C(NC(N)=N2)C=C1 AK-35886 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.2121 COC1=CC2=C(NC(S)=N2)C=C1 AK101104 [0,1,0,1,0,0|2,0,0]=4 348 B13R2.2121 COC1=CC2=C(NC(S2)=O)C=C1 AK-24360 [0,1,0,1,0,0|2,0,0]=4 349 B13R2.2121 COC1=CC2=C(SC(S)=N2)C=C1 AK-35637 [0,1,0,1,0,0|2,0,0]=4 350 B13R2.2121 COC1=CC=C2N=C(Cl)SC2=C1 AK-23628 [0,1,0,1,0,0|2,0,0]=4 351 B13R2.2121 COC1=CC=C2NC(CC2=C1)=O AK-36343 [0,1,0,1,0,0|1,0,0]=3 352 B13R2.2121 O=C1CC2=NC(OC)=CC=C2N1 AK139844 [0,1,0,1,0,0|2,0,0]=4 353 B13R2.2121 S=C1SC2=CC(OC)=CC=C2N1 AK110513 [0,1,0,1,0,0|2,0,0]=4 354 B13R2.2130 C1=CC(=CC2=C1C(CC2)=O)OC AK-29324 [0,1,0,1,0,0|0,0,1]=3 355 B13R2.2130 CC1=NNC2=C1C=CC(OC)=C2 AK-24406 [0,1,0,1,0,0|2,0,0]=4 356 B13R2.2130 CN1C=NC2=CC(OC)=CC=C12 AK140192 [0,1,0,1,0,0|2,0,0]=4 357 B13R2.2130 COC1=CC2=C(C=C1)C(=O)N=C2 AK-89608 [0,1,0,1,0,0|1,0,1]=4 358 B13R2.2130 COC1=CN=C2C(Br)=CNC2=C1 AK475955 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.2130 IC1=N[NH]C2=CC(=CC=C12)OC AK-23704 [0,1,0,1,0,0|2,0,0]=4 360 B13R2.2130 O=C1C=CC2=C1C=CC(OC)=C2 AK103210 [0,1,0,1,0,0|0,0,1]=3 361 B13R2.2130 O=C1OCC2=C1C=CC(OC)=C2 AK340709 [0,1,0,1,0,0|1,0,0]=3 362 B13R2.57 COC1=CC2=C(C=C1)C=CN=C2 AK-35027 [0,1,0,1,0,0|0,0,1]=3 363 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 AK-39658 [0,1,0,1,0,0|0,0,1]=3 364 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 AK110812 [0,1,0,1,0,0|0,0,1]=3 365 B13R2.57 COC1=CC2=C(C=NC=C2)C=C1 AK-35505 [0,1,0,1,0,0|0,0,1]=3 366 B13R2.57 COC1=CC2=C(CCCN2)C=C1 AK-33930 [0,1,0,1,0,0|0,0,2]=4 367 B13R2.57 COC1=CC2=C(CNCC2)C=C1 AK-35691 [0,1,0,1,0,0|0,0,2]=4 368 B13R2.57 COC1=CC2=C(NCCC2)C=C1 AK-28743 [0,1,0,1,0,0|0,0,2]=4 369 B13R2.57 COC1=CC2=C(NCCN2)C=C1 AK142322 [0,1,0,1,0,0|1,0,1]=4 370 B13R2.57 COC1=CC2=CC=CC=C2N=C1 AK-39637 [0,1,0,1,0,0|1,0,1]=4 371 B13R2.57 COC1=CC=C2C(OCCN2)=C1 AK140716 [0,1,0,1,0,0|1,0,1]=4 372 B13R2.57 COC1=CC=C2C=CC=NC2=C1 AK-35323 [0,1,0,1,0,0|0,0,1]=3 373 B13R2.57 COC1=NC2=CC=CC=C2C=C1 AK-94453 [0,1,0,1,0,0|1,0,1]=4 374 B13R2.669 C1=C(OC)C=CC2=C1C(CC2)=O AK-28784 [0,1,0,1,0,0|1,0,1]=4 375 B13R2.669 CC1=CNC2=CC=C(OC)N=C21 AK136123 [0,1,0,1,0,0|1,0,0]=3 376 B13R2.669 COC1=CC2=C(NC=C2Br)C=N1 AK119911 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.669 COC1=CN=C2NC=C(Br)C2=C1 AK-50460 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.669 N[C@@H]1CCC2=C1C=C(OC)C=C2 AK-42224 [0,1,0,1,0,0|0,0,2]=4 379 B13R2.669 O=C1COC2=CC=C(OC)C=C12 AK-44662 [0,1,0,1,0,0|1,0,1]=4 380 B13R2.669 O=C1NCC2=C1C=C(OC)C=C2 AK-51123 [0,1,0,1,0,0|1,0,1]=4 381 B13R2.654 COC1=CC(Br)=C2C(NC=C2)=N1 AK553936 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 AK-99959 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.654 COC1=CC(Cl)=C2C(NC=C2)=N1 AK150821 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.654 COC1=CC2=C(C(Br)=C1)C=CN2 AK109107 [0,1,0,1,0,0|1,0,0]=3 385 B13R2.654 COC1=CC2=C(C=CN2)C(Cl)=C1 AK-48599 [0,1,0,1,0,0|1,0,0]=3 386 B13R2.654 NC1=CC(OC)=CC2=C1NC=C2 AK-58871 [0,1,0,1,0,0|1,0,1]=4 387 B13R2.449 C1=C(C=C2C(=C1)C=C[NH]2)OCC AK-39304 [0,1,0,1,0,0|1,0,0]=3 388 B13R2.449 CCOC1=CC2=C(NC=C2)C=C1 AK-21810 [0,1,0,1,0,0|1,0,1]=4 389 B13R2.84 COC1=C(Br)C2=C(NC=C2)C=C1 AK144751 [0,1,0,1,0,0|1,0,1]=4 390 B13R2.84 COC1=C(Br)C=2NC=CC2C=N1 AK-59547 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.84 COC1=C(F)C2=C(CNC2)C=C1 AK332612 [0,1,0,1,0,0|1,0,1]=4 392 B13R2.599 CC1=CC2=C(NC=C2)C=C1OC AK119790 [0,1,0,1,0,0|1,0,0]=3 393 B13R2.599 COC1=C(Br)C=C2C(NC=C2)=N1 AK-59557 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.599 COC1=C(Br)C=C2C(NC=N2)=C1 AK-92884 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.599 COC1=CC2=C(C=C1Br)C=NN2 AK-33422 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.599 COC1=CC2=C(C=C1Cl)C=NN2 AK141100 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.599 COC1=CC2=C(C=CN2)C=C1F AK-88353 [0,1,0,1,0,0|1,0,0]=3 398 B13R2.599 COC1=CC2=C(NC=C2)C=C1Br AK-61193 [0,1,0,1,0,0|1,0,1]=4 399 B13R2.599 COC1=CC2=C(NC=C2)C=C1Cl AK111540 [0,1,0,1,0,0|1,0,1]=4 400 B13R2.599 NC1=CC2=C(NN=C2)C=C1OC AK119766 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.21 COC1=CC=C(OC)S1 AK160909 [1,0,0,0,1,0|2,0,0]=4