0 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,0,0,0,0,0|0,0,1]=1 7 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [1,0,0,0,0,0|0,0,1]=2 12 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 N#CCNCC1=CC=CC=C1 AK102724 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [1,0,0,0,0,0|1,0,1]=3 24 B13R1.45 O=C(O)CC[C@@H](N)C1=CC=CC=C1 AK174392 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.45 O=C(O)CNC(C1=CC=CC=C1)=O AK-42216 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.45 O=C(O)CN[C@@H](C1=CC=CC=C1)C AK160811 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.45 O=C(O)CN[C@H](C1=CC=CC=C1)C AK153106 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.149 NC1=CC=CC(CCCC(O)=O)=C1 AK-36873 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 AK116882 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.158 O=C(O)CCOC1=CC=CC=C1N AK155867 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 AK104968 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-44152 [0,1,0,0,0,0|0,0,0]=1 33 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-77790 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,1,0,0,0,0|0,0,1]=2 35 B13R1.351 O=C(O)C(N)CCC1=CC=CC=C1 AK-80198 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.351 O=C(O)[C@@H](N)CCC1=CC=CC=C1 AK-47396 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.351 O=C(O)[C@H](N)CCC1=CC=CC=C1 AK-44092 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.351 [C@H](O)(C(=O)O)CCC1=CC=CC=C1 AK-34569 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.513 C1=C(C=CC(=C1)O)CCCC(=O)O AK-25224 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.513 CC(NCCC1=CC=C(O)C=C1)=O AK106967 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 AK-81606 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.513 O=C(O)CCCC1=CC=C(C)C=C1 AK-92957 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 AK-38450 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 AK327765 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 AK162891 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.718 C1=CC=CC=C1NCCC(=O)OC AK-48038 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.718 O=C(OC)CNCC1=CC=CC=C1 AK-62852 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.718 O=C(OC)COCC1=CC=CC=C1 AK164941 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.3523 CC(O)(C)CNCC1=CC=CC=C1 AK173248 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.3523 CS(=O)(OCCC1=CC=CC=C1)=O AK136320 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.3523 [O-]S(=O)(=O)CCC[N+]1=CC=CC=C1 AK-77438 [0,1,0,0,0,0|2,0,1]=4 52 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.10 O=C1OC[C@@H](C2=CC=CC=C2)N1 AK-68242 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.10 [C@H]1(NC(OC1)=O)C2=CC=CC=C2 AK-47582 [0,0,0,1,0,0|2,0,0]=3 55 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 AK-26113 [0,0,0,1,0,0|2,0,1]=4 56 B13R2.72 CC(N1CCC2=C1C=CC=C2)=O AK-47012 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.72 O1C2=C(C(=N1)C(=O)O)C=CC=C2 AK-31280 [0,0,0,1,0,0|2,0,1]=4 58 B13R2.72 O=C(C1=CNC2=C1C=CC=C2)O AK-46089 [0,0,0,1,0,0|1,0,2]=4 59 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)O AK-27131 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.72 O=C(C1CCC2=C1C=CC=C2)O AK-39534 [0,0,0,1,0,0|0,0,0]=1 61 B13R2.72 O=C([C@@H]1NCC2=C1C=CC=C2)O AK550278 [0,0,0,1,0,0|1,0,0]=2 62 B13R2.72 O=C([C@H]1NCC2=C1C=CC=C2)O AK550292 [0,0,0,1,0,0|1,0,0]=2 63 B13R2.72 S1C2=C(C(=C1)C(=O)O)C=CC=C2 AK-29353 [0,0,0,1,0,0|1,0,2]=4 64 B13R2.163 C1=CC=CC2=C1NC(=O)CCC2 AK-25978 [0,0,0,1,0,0|1,0,0]=2 65 B13R2.163 O=C1CCCC2=CC=CN=C2N1 AK-87283 [0,0,0,1,0,0|2,0,0]=3 66 B13R2.163 O=C1NC2=CC=CC=C2NCC1 AK-45215 [0,0,0,1,0,0|2,0,0]=3 67 B13R2.163 O=C1NCCC2=CC=CC=C2N1 AK551054 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.423 O=C(C1C(C2=NC=CC=C2)C1)O AK155239 [0,0,0,1,0,0|1,0,0]=2 69 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,0,0,1,0,0|0,0,0]=1 70 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,0,0,1,0,0|0,0,0]=1 71 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,0,0,1,0,0|0,0,0]=1 72 B13R2.2382 C1(COCC2=CC=CC=C2)OC1 AK101061 [0,0,0,1,0,0|2,0,1]=4 73 B13R2.2382 [C@@H]1(COCC2=CC=CC=C2)OC1 AK-77308 [0,0,0,1,0,0|2,0,1]=4 74 B13R2.2382 [C@H]1(COCC2=CC=CC=C2)OC1 AK-49064 [0,0,0,1,0,0|2,0,1]=4 75 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,0,0,0,1,0|1,0,2]=4 76 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,0,0,0,1,0|2,0,0]=3 78 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,0,0,0,1,0|1,0,0]=2 79 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,0,0,0,1,0|1,0,0]=2 80 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [0,0,0,0,1,0|1,0,2]=4 81 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [0,0,0,0,1,0|0,0,2]=3 82 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,0,0,0,1,0|0,0,0]=1 83 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [0,0,0,0,1,0|2,0,0]=3 84 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [0,0,0,0,1,0|2,0,0]=3 85 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [0,0,0,0,1,0|0,0,2]=3 86 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [0,0,0,0,1,0|1,0,2]=4 87 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [0,0,0,0,1,0|1,0,2]=4 88 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,0,0,0,1,0|1,0,1]=3 89 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,0,0,0,1,0|1,0,1]=3 90 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,0,0,0,1,0|1,0,0]=2 91 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [0,0,0,0,1,0|0,0,3]=4 93 B11R1.172 OC(=O)CCCC1=CC=CS1 AK-84520 [0,0,0,0,1,0|1,0,0]=2 94 B13R1.337 NC(OCCCC1=CC=CC=C1)=O AK545335 [0,0,0,0,0,1|1,0,0]=2 95 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 AK142005 [0,0,0,0,0,1|0,0,3]=4 96 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [2,0,0,0,0,0|0,0,2]=4 98 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|0,0,0]=2 106 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [2,0,0,0,0,0|0,0,2]=4 109 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [2,0,0,0,0,0|0,0,2]=4 110 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|0,0,0]=2 111 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [2,0,0,0,0,0|2,0,0]=4 115 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.8 BrCCCCOC1=CC=CC=C1 AK145640 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.8 BrCCCOCC1=CC=CC=C1 AK-47534 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.8 NCCCNCC1=CC=CC=C1 AK-58979 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.8 NCCCOCC1=CC=CC=C1 AK-33608 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.8 OCCCOCC1=CC=CC=C1 AK-99881 [1,1,0,0,0,0|0,0,1]=3 122 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.30 O=CNCC(C1=CC=CC=C1)=O AK-93558 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.30 OCCC[C@H](N)C1=CC=CC=C1 AK172741 [1,1,0,0,0,0|0,0,1]=3 126 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [0,1,0,0,1,0|0,0,2]=4 127 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [0,1,0,0,1,0|0,0,0]=2 128 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,1,0,0,1,0|1,0,0]=3 129 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [0,1,0,0,1,0|0,0,2]=4 130 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [0,1,0,0,1,0|0,0,0]=2 131 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [0,1,0,0,1,0|0,0,0]=2 132 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [0,1,0,0,1,0|0,0,0]=2 133 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [0,1,0,0,1,0|1,0,0]=3 135 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [0,1,0,0,1,0|1,0,0]=3 136 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [0,1,0,0,1,0|1,0,1]=4 137 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [0,1,0,0,1,0|0,0,2]=4 138 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [0,1,0,0,1,0|0,0,2]=4 139 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [0,1,0,0,1,0|1,0,0]=3 140 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,1,0,0,1,0|0,0,0]=2 141 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,1,0,0,1,0|0,0,1]=3 142 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,0,0,1,0|1,0,0]=3 143 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,1,0,0,1,0|0,0,0]=2 145 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [0,1,0,0,1,0|1,0,0]=3 146 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [0,1,0,0,1,0|1,0,0]=3 147 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,1,0,0,1,0|1,0,0]=3 148 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [0,1,0,0,1,0|1,0,0]=3 149 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [0,1,0,0,1,0|1,0,0]=3 150 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [0,1,0,0,1,0|1,0,0]=3 151 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [0,1,0,0,1,0|1,0,0]=3 152 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,1,0,0,1,0|0,0,0]=2 153 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,1,0,0,1,0|0,0,0]=2 154 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,1,0,0,1,0|0,0,2]=4 156 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,1,0,0,1,0|0,0,0]=2 157 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,1,0,0,1,0|0,0,0]=2 159 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,1,0,0,1,0|1,0,1]=4 160 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,1,0,0,1,0|2,0,0]=4 161 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,1,0,0,1,0|1,0,0]=3 162 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,1,0,0,1,0|0,0,0]=2 163 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [0,1,0,0,1,0|1,0,0]=3 164 B12R1.107 O=C(O)CN(C)C1=NC=CC=C1 AK132907 [0,1,0,0,1,0|2,0,0]=4 165 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,1,0,0,1,0|0,0,0]=2 166 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,1,0,0,1,0|0,0,0]=2 167 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,1,0,0,1,0|0,0,0]=2 168 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,1,0,0,1,0|0,0,0]=2 169 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [0,1,0,0,1,0|1,0,0]=3 170 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [0,1,0,0,1,0|0,0,0]=2 171 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [0,1,0,0,1,0|0,0,0]=2 173 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [0,1,0,0,1,0|0,0,0]=2 174 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [0,1,0,0,1,0|1,0,0]=3 175 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [0,1,0,0,1,0|0,0,2]=4 176 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [0,1,0,0,1,0|0,0,0]=2 177 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [0,1,0,0,1,0|0,0,0]=2 178 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [0,1,0,0,1,0|0,0,0]=2 179 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [0,1,0,0,1,0|0,0,0]=2 180 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [0,1,0,0,1,0|0,0,0]=2 181 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [0,1,0,0,1,0|0,0,2]=4 182 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [0,1,0,0,1,0|0,0,2]=4 183 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [0,1,0,0,1,0|0,0,2]=4 184 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [0,1,0,0,1,0|1,0,0]=3 185 B12R1.891 C1(=CC=CC=C1)CC[S](=O)(=O)Cl AK-73134 [0,1,0,0,1,0|1,0,1]=4 186 B14R1.420 O=C(O)CCC[C@@H](N)C1=CC=CC=C1 AK172691 [0,1,0,0,0,1|0,0,0]=2 187 B14R1.420 OC(=O)CCCC(=O)C1=CC=CC=C1 AK-81827 [0,1,0,0,0,1|0,0,0]=2 188 B14R1.423 O=C(O)CNC(CC1=CC=CC=C1)=O AK135274 [0,1,0,0,0,1|0,0,1]=3 189 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 AK115273 [0,1,0,0,0,1|0,0,0]=2 190 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 AK112610 [0,1,0,0,0,1|0,0,0]=2 191 B14R1.716 O=C(OC)CCOCC1=CC=CC=C1 AK-40960 [0,1,0,0,0,1|0,0,0]=2 192 B14R1.6449 NC(CCCC1=CC=CC=C1)C(O)=O AK-89432 [0,1,0,0,0,1|0,0,0]=2 193 B14R1.6449 O=C(O)C(N)COCC1=CC=CC=C1 AK-93999 [0,1,0,0,0,1|0,0,0]=2 194 B14R1.6449 O=C(O)[C@@H](N)CCCC1=CC=CC=C1 AK114991 [0,1,0,0,0,1|0,0,0]=2 195 B14R1.6449 O=C(O)[C@@H](N)COCC1=CC=CC=C1 AK-77303 [0,1,0,0,0,1|0,0,0]=2 196 B14R1.6449 O=C(O)[C@@H](N)COCC1=CC=CC=C1 AK544805 [0,1,0,0,0,1|0,0,0]=2 197 B14R1.6449 O=C(O)[C@H](N)CSCC1=CC=CC=C1 AK-81245 [0,1,0,0,0,1|0,0,0]=2 198 B14R1.678 O=C(O)CCC(C1=CC=C(Br)C=C1)=O AK-38438 [0,2,0,0,0,0|0,0,1]=3 199 B14R1.678 O=C(O)CCC(C1=CC=C(C)C=C1)=O AK-84377 [0,2,0,0,0,0|0,0,1]=3 200 B14R1.678 O=C(O)CCC(N)C1=CC=C(C)C=C1 AK172750 [0,2,0,0,0,0|0,0,0]=2 201 B14R1.813 O=C(O)CCP(C1=CC=CC=C1)(O)=O AK116924 [0,2,0,0,0,0|1,0,0]=3 202 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK114880 [0,2,0,0,0,0|0,0,0]=2 203 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK341934 [0,2,0,0,0,0|0,0,0]=2 204 B14R1.337 O=C(O)C[C@H](N)CC1=CC=CC=C1C AK341933 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.425 [C@@H](N)(CC1=CC=CC=C1)[C@H](O)C(O)=O AK-44017 [0,2,0,0,0,0|0,0,0]=2 206 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AK-78922 [0,2,0,0,0,0|0,0,1]=3 207 B14R1.4194 O=C(O)[C@H](NCC1=CC=CC=C1)CO AK112844 [0,2,0,0,0,0|1,0,0]=3 208 B14R1.4 CCC1=CC=C(CCCC(O)=O)C=C1 AK-89005 [0,2,0,0,0,0|0,0,0]=2 209 B14R1.4 COC1=CC=C(OCCC(O)=O)C=C1 AK-83323 [0,2,0,0,0,0|1,0,0]=3 210 B14R1.4 O=C(O)CCCC1=CC=C(OC)C=C1 AK-25988 [0,2,0,0,0,0|0,0,0]=2 211 B14R1.4 O=C(O)CNCC1=CC=C(OC)C=C1 AK105733 [0,2,0,0,0,0|1,0,0]=3 212 B14R1.4 O=C(O)COCC1=CC=C(OC)C=C1 AK112640 [0,2,0,0,0,0|1,0,0]=3 213 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 AK109314 [0,2,0,0,0,0|0,0,0]=2 214 B14R1.520 C(C)OC(CCNC1=NC=CC=C1)=O AK-31676 [0,2,0,0,0,0|2,0,0]=4 215 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 AK-26991 [0,2,0,0,0,0|1,0,0]=3 216 B14R1.520 O=C(OCC)NCCC1=CC=CC=C1 AK-47113 [0,2,0,0,0,0|1,0,0]=3 217 B12R2.1 N#CC1CCC2=C1C=CC=C2 AK-68472 [1,0,0,1,0,0|1,0,1]=4 218 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [1,0,0,1,0,0|1,0,1]=4 219 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [1,0,0,1,0,0|1,0,1]=4 221 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [1,0,0,1,0,0|1,0,1]=4 222 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [1,0,0,1,0,0|0,0,1]=3 223 B12R2.41 C12=CC=CC=C1CNCCC2 AK-36214 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.41 C1COC2=C(CN1)C=CC=C2 AK-90077 [1,0,0,1,0,0|1,0,1]=4 225 B12R2.41 N1CCCCC2=C1C=CC=C2 AK-21952 [1,0,0,1,0,0|1,0,1]=4 226 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [1,0,0,1,0,0|1,0,0]=3 227 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O AK-29412 [1,0,0,1,0,0|1,0,0]=3 228 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [1,0,0,1,0,0|1,0,1]=4 229 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [1,0,0,1,0,0|1,0,1]=4 230 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [1,0,0,1,0,0|1,0,1]=4 231 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [1,0,0,1,0,0|1,0,1]=4 232 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [1,0,0,1,0,0|0,0,0]=2 233 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [1,0,0,1,0,0|1,0,0]=3 234 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [1,0,0,1,0,0|1,0,0]=3 235 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [1,0,0,1,0,0|1,0,0]=3 236 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [1,0,0,1,0,0|1,0,0]=3 237 B12R2.1081 O=C1CCOC2=CC=CN=C21 AK-30399 [1,0,0,1,0,0|2,0,0]=4 238 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AK119860 [1,0,0,1,0,0|2,0,0]=4 239 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [1,0,0,1,0,0|1,0,0]=3 240 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [1,0,0,1,0,0|0,0,1]=3 241 B12R2.1081 OC1CCNC2=C1C=CC=C2 AK-87029 [1,0,0,1,0,0|1,0,1]=4 242 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [1,0,0,1,0,0|1,0,1]=4 243 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [1,0,0,1,0,0|1,0,1]=4 244 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,1,0|1,0,0]=3 245 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [0,0,0,1,1,0|2,0,0]=4 246 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,0,0,1,1,0|2,0,0]=4 247 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,0,0,1,1,0|2,0,0]=4 248 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,1,0|2,0,0]=4 249 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,0,0,1,1,0|1,0,1]=4 250 B12R2.114 O=C1CCCC2=C(C=CS2)N1 AK-72509 [0,0,0,1,1,0|2,0,0]=4 251 B14R2.2 C1(=C2C(=CO1)C=CC=C2)CC(=O)O AK-35877 [0,0,0,1,0,1|0,0,2]=4 252 B14R2.2 O=C(O)CC1=COC2=CC=CC=C12 AK-35969 [0,0,0,1,0,1|0,0,2]=4 253 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 AK-97028 [0,0,0,1,0,1|1,0,1]=4 254 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 AK-84431 [0,0,0,1,0,1|0,0,2]=4 255 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AK-26329 [0,0,0,1,0,1|1,0,0]=3 256 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [0,0,0,1,0,1|1,0,0]=3 257 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [0,0,0,1,0,1|1,0,0]=3 258 B14R2.19 OC1CN(CC2=CC=CC=C2)CC1 AK-39172 [0,0,0,1,0,1|1,0,1]=4 259 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [0,0,0,1,0,1|1,0,0]=3 260 B14R2.21 C1(=CC=CC=C1)C2CC(CCO2)=O AK-33344 [0,0,0,1,0,1|1,0,0]=3 261 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AK-84674 [0,0,0,1,0,1|1,0,0]=3 262 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 AK-51101 [0,0,0,1,0,1|1,0,0]=3 263 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 AK-40561 [0,0,0,1,0,1|1,0,0]=3 264 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 AK-74240 [0,0,0,1,0,1|1,0,1]=4 265 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 AK119619 [0,0,0,1,0,1|1,0,1]=4 266 B14R2.31359 C1(C2=CC=CC=C2CCC1)C(=O)O AK-27345 [0,0,0,1,0,1|0,0,0]=2 267 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 AK-34255 [0,0,0,1,0,1|0,0,0]=2 268 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 AK-48549 [0,0,0,1,0,1|0,0,0]=2 269 B14R2.31359 O=C([C@@H]1NCCC2=C1C=CC=C2)O AK-77642 [0,0,0,1,0,1|0,0,0]=2 270 B14R2.31359 O=C([C@H]1NCCC2=C1C=CC=C2)O AK142882 [0,0,0,1,0,1|0,0,0]=2 271 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 AK116639 [0,1,0,1,0,0|1,0,0]=3 272 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 AK-45360 [0,1,0,1,0,0|2,0,0]=4 273 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 AK143261 [0,1,0,1,0,0|1,0,0]=3 274 B14R2.22 O=C1NCC(C2=CC=CC(Br)=C2)C1 AK-77912 [0,1,0,1,0,0|2,0,0]=4 275 B14R2.390 FC1=CC=CC2=C1NC(=O)CCC2 AK-56572 [0,1,0,1,0,0|1,0,0]=3 276 B14R2.4476 O=C(C1C(C2=CC=CC(Cl)=C2)C1)O AK167718 [0,1,0,1,0,0|0,0,0]=2 277 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 AK-33165 [0,1,0,1,0,0|1,0,1]=4 278 B14R2.768 OC(=O)CC1=CC2=C(S1)C=CC=C2 AK-48677 [0,1,0,1,0,0|0,0,2]=4 279 B14R2.768 OC(=O)CC1CC2=CC=CC=C2C1 AK-90079 [0,1,0,1,0,0|0,0,0]=2 280 B14R2.768 [NH]1C2=CC=CC=C2C=C1CC(=O)O AK-46211 [0,1,0,1,0,0|0,0,2]=4 281 B14R2.781 O=C(C1CNC2=C(C=CC=C2)C1)O AK134934 [0,1,0,1,0,0|1,0,0]=3 282 B14R2.781 O=C(C1OC2=CC=CC=C2OC1)O AK-34764 [0,1,0,1,0,0|1,0,0]=3 283 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CC1 AK-35532 [0,1,0,1,0,0|0,0,0]=2 284 B14R2.781 O=C([C@H]1NCC2=C(C=CC=C2)C1)O AK-29492 [0,1,0,1,0,0|1,0,0]=3 285 B14R2.781 OC(=O)C1CC2=C(CN1)C=CC=C2 AK-75943 [0,1,0,1,0,0|1,0,0]=3 286 B14R2.781 OC(=O)C1CCC2=CC=CC=C2O1 AK-44050 [0,1,0,1,0,0|0,0,0]=2 287 B14R2.781 OC(=O)[C@H]1CC2=C(CN1)C=CC=C2 AK-32708 [0,1,0,1,0,0|1,0,0]=3 288 B14R2.781 [C@@H]1(NCC2=CC=CC=C2C1)C(=O)O AK-25831 [0,1,0,1,0,0|1,0,0]=3 289 B14R2.5443 O=C(C1C(C2=CC=CC=C2Cl)C1)O AK167717 [0,1,0,1,0,0|0,0,0]=2 290 B14R2.8032 CC(N1CCC2=C1C=CC=C2O)=O AK122799 [0,1,0,1,0,0|2,0,0]=4 291 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 AK-60022 [0,1,0,1,0,0|1,0,0]=3 292 B14R2.741 O=C1C(Br)CCC2=CC=CC=C2N1 AK-23679 [0,1,0,1,0,0|1,0,0]=3 293 B14R2.20 ClC1=CC=C(C=C1)C2CCC(=O)N2 AK-40653 [0,1,0,1,0,0|1,0,0]=3 294 B14R2.20 O=C1NC(C2=CC=C(Br)C=C2)CC1 AK103149 [0,1,0,1,0,0|1,0,0]=3 295 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)C1 AK141612 [0,1,0,1,0,0|2,0,0]=4 296 B14R2.380 O=C1CCCC2=CC=C(N)C=C2N1 AK-44600 [0,1,0,1,0,0|1,0,0]=3 297 B14R2.4402 O=C(C1C(C2=CC=C(Cl)C=C2)C1)O AK122406 [0,1,0,1,0,0|0,0,0]=2 298 B14R2.4402 OC(=O)C1CC1C2=CC=C(Br)C=C2 AK-51693 [0,1,0,1,0,0|0,0,0]=2 299 B14R2.5816 O=C(C1CCC2=C1C=C(Br)C=C2)O AK145934 [0,1,0,1,0,0|0,0,0]=2 300 B14R2.5816 O=C(C1CCC2=C1C=C(Cl)C=C2)O AK-94424 [0,1,0,1,0,0|0,0,0]=2 301 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,2,0|2,0,0]=4 302 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [0,0,0,0,2,0|1,0,0]=3 303 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [0,0,0,0,2,0|1,0,0]=3 304 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,2,0|2,0,0]=4 305 B10R1.18 N1=CN=CC(=C1)CC(=O)O AK-32588 [0,0,0,0,2,0|2,0,0]=4 306 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,2,0|2,0,0]=4 307 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,2,0|1,0,0]=3 308 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,0,0,0,2,0|2,0,0]=4 309 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [0,0,0,0,2,0|1,0,0]=3 310 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [0,0,0,0,2,0|2,0,0]=4 311 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,0,0,0,2,0|1,0,0]=3 312 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,0,0,0,2,0|1,0,0]=3 313 B10R1.66 O=C(O)CCC1=NC=CN1 AK-33774 [0,0,0,0,2,0|2,0,0]=4 314 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 AK-88667 [0,0,0,0,0,2|0,0,0]=2