0 B14R1.3 CC(OC1=CC=C(OC)C=C1)C(O)=O AK-88556 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(C#N)C=C1 AK-63293 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(C=C)C=C1 AK172743 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(OC)C=C1 AK-46463 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(OC)C=C1 AK141180 [0,0,0,0,0,0|1,0,1]=2 5 B13R1.3 C(#N)C1=CC=C(C=C1)CCC(=O)O AK-45844 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.3 COC1=CC=C(C=CC(O)=O)C=C1 AK-98686 [1,0,0,0,0,0|0,0,1]=2 7 B13R1.3 O=C(N)NCC1=CC=C(OC)C=C1 AK124246 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.3 O=C(O)C#CC1=CC=C(OC)C=C1 AK-98790 [1,0,0,0,0,0|0,0,2]=3 9 B13R1.3 O=C(O)CCC1=CC=C(OC)C=C1 AK-88471 [1,0,0,0,0,0|0,0,1]=2 10 B13R1.3 O=C(O)COC1=CC=C(OC)C=C1 AK140534 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.3 O=C(O)\C=C\C1=CC=C(SC)C=C1 AK305277 [1,0,0,0,0,0|0,1,1]=3 12 B13R1.3 O=[N+](\C=C\C1=CC=C(OC)C=C1)[O-] AK677721 [1,0,0,0,0,0|1,0,2]=4 13 B13R1.5 OCC(N)CC1=CC=C(OC)C=C1 AK158853 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.133 CC1=CC=C(CC(N)C(O)=O)C=C1 AK-35255 [1,0,0,0,0,0|1,0,1]=3 15 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(O)=O AK111064 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 FC1=CC=C(C[C@H](N)C(=O)O)C=C1 AK-25301 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(O)=O AK-49382 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(O)=O AK-80383 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(O)=O AK-93419 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(O)=O AK-49989 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 N[C@H](CC1=CC=C(C)C=C1)C(O)=O AK-81259 [1,0,0,0,0,0|1,0,1]=3 22 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(O)=O AK-49327 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 O=C(N)[C@@H](N)CC1=CC=C(O)C=C1 AK117102 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.133 O=C(O)C(N)CC1=CC=C(O)C=C1 AK-81253 [1,0,0,0,0,0|1,0,1]=3 25 B13R1.133 O=C(O)C(NC1=NC=C(Cl)C=C1)=O AK171307 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Br)C=C1 AK-75929 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(C)N=C1 AK668447 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Cl)C=C1 AK-81361 [1,0,0,0,0,0|2,0,1]=4 29 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 AK139122 [1,0,0,0,0,0|2,0,1]=4 30 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(N)C=C1 AK-42598 [1,0,0,0,0,0|2,0,1]=4 31 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(O)C=C1 AK-62832 [1,0,0,0,0,0|1,0,1]=3 32 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(F)C=C1 AK-42471 [1,0,0,0,0,0|2,0,1]=4 33 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(N)C=C1 AK106107 [1,0,0,0,0,0|2,0,1]=4 34 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(O)C=C1 AK-49908 [1,0,0,0,0,0|1,0,1]=3 35 B13R1.133 [C@H](N)(CC1=CC=C(C)C=C1)C(O)=O AK-81281 [1,0,0,0,0,0|1,0,1]=3 36 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O AK-48062 [1,0,0,0,0,0|2,0,1]=4 37 B15R1.495 N[C@@H](CC1=CC=C(C(C)=O)C=C1)C(O)=O AK175677 [0,1,0,0,0,0|2,0,1]=4 38 B15R1.495 O=C(O)C(N)CC1=CC=C(C(C)=O)C=C1 AK-80840 [0,1,0,0,0,0|2,0,1]=4 39 B15R1.495 O=C(O)[C@@H](N)CC1=CC=C(C(C)=O)C=C1 AK120220 [0,1,0,0,0,0|2,0,1]=4 40 B15R1.3777 O=C(O)[C@@H](N)CC1=CC=C(OC)C(O)=C1 AK607993 [0,1,0,0,0,0|1,0,1]=3 41 B15R2.4834 COC1=CC2=C(NC(=C2)C(O)=O)C=N1 AK-37535 [0,0,0,1,0,0|3,0,0]=4 42 B15R2.4834 COC1=CC2=C(SC(=N2)C(O)=O)C=C1 AK-90023 [0,0,0,1,0,0|2,0,0]=3 43 B15R2.4834 COC1=CC=C2C(=C1)[NH]C(=C2)C(=O)O AK-27758 [0,0,0,1,0,0|1,0,1]=3 44 B15R2.4834 COC1=CC=C2OC(CC2=C1)C(O)=O AK-48605 [0,0,0,1,0,0|2,0,1]=4 45 B15R2.4834 O=C(C1=CN2C=C(OC)C=CC2=N1)O AK163389 [0,0,0,1,0,0|3,0,0]=4 46 B13R1.36 CC(C1=CC=C(OC)C=C1)C(O)=O AK139354 [0,0,0,0,1,0|1,0,1]=3 47 B13R1.36 O=C(O)C(N)C1=CC=C(OC)C=C1 AK-44576 [0,0,0,0,1,0|1,0,1]=3 48 B13R1.36 O=C(O)[C@@H](O)C1=CC=C(OC)C=C1 AK-43949 [0,0,0,0,1,0|0,0,2]=3 49 B13R1.36 O=C(O)[C@H](O)C1=CC=C(OC)C=C1 AK-45069 [0,0,0,0,1,0|0,0,2]=3 50 B13R1.36 OC(C1=CC=C(OC)C=C1)C(O)=O AK-46464 [0,0,0,0,1,0|0,0,2]=3 51 B15R1.204 C1=C(NC(CC(C)=O)=O)C=CC(=C1)OC AK-45807 [0,0,0,0,0,1|2,0,0]=3 52 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [2,0,0,0,0,0|0,0,1]=3 53 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [2,0,0,0,0,0|0,0,1]=3 54 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [2,0,0,0,0,0|1,0,1]=4 59 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.71 O=CNCC1=CC=C(OC)C=C1 AK201126 [2,0,0,0,0,0|1,0,0]=3 61 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [2,0,0,0,0,0|0,0,1]=3 62 B12R1.4 C1=CC(=CC=C1OC)CC(O)=O AK-47564 [2,0,0,0,0,0|0,0,0]=2 63 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 AK-59632 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.4 O=C(O)CC1=CC=C(CN)C=C1 AK-93749 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 AK135016 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.4 O=C(O)CC1=CC=C(SC)C=C1 AK-45539 [2,0,0,0,0,0|0,1,0]=3 67 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [2,0,0,0,0,0|1,0,1]=4 69 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [2,0,0,0,0,0|1,0,0]=3 70 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [2,0,0,0,0,0|0,0,2]=4 72 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [2,0,0,0,0,0|1,0,1]=4 73 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [2,0,0,0,0,0|1,0,1]=4 74 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [2,0,0,0,0,0|0,0,2]=4 75 B14R1.2 O=C(O)CC(N)C1=CC=C(OC)C=C1 AK-43943 [1,1,0,0,0,0|0,0,1]=3 76 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 AK110041 [1,1,0,0,0,0|0,0,2]=4 77 B14R1.3653 O=C(O)\C=C\C1=CC=C(OC)C(Cl)=C1 AK157890 [1,1,0,0,0,0|0,0,1]=3 78 B14R1.3653 O=C(O)\C=C\C1=CC=C(OC)C(O)=C1 AK-88788 [1,1,0,0,0,0|0,0,1]=3 79 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-44175 [1,1,0,0,0,0|1,0,1]=4 80 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-49703 [1,1,0,0,0,0|1,0,1]=4 81 B14R1.134 O=C(OC)C(N)CC1=CC=C(O)C=C1 AK115635 [1,1,0,0,0,0|1,0,1]=4 82 B14R1.134 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)OC AK-49737 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.686 NC(CC1=CC(Br)=C(O)C=C1)C(O)=O AK109449 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(Cl)=C1 AK-50086 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(I)=C1 AK-86417 [1,1,0,0,0,0|1,0,1]=4 86 B14R1.686 O=C(O)[C@H](N)CC1=CC=C(O)C(I)=C1 AK167399 [1,1,0,0,0,0|1,0,1]=4 87 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 AK119798 [1,1,0,0,0,0|0,0,2]=4 88 B14R1.686 [C@H](N)(CC1=CC(Br)=C(O)C=C1)C(O)=O AK-82171 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.7626 O=C(O)C(C)(N)CC1=CC=C(O)C=C1 AK129847 [1,1,0,0,0,0|1,0,1]=4 90 B14R1.213 CC(C)(C1=CC=C(OC)C=C1)C(O)=O AK-65862 [0,1,0,0,1,0|1,0,1]=4 91 B14R1.6402 O=C(O)C(C1=CC=C([N+]([O-])=O)C=C1)=O AK140320 [0,1,0,0,1,0|2,0,0]=4 92 B16R1.4274 O=C(O)[C@@H](N)CC1=CC=C(OC)C(OC)=C1 AK-41629 [0,2,0,0,0,0|1,0,1]=4 93 B14R2.134 O=C1CC2=C(C=CC(OC)=C2)CC1 AK-25949 [1,0,0,1,0,0|1,0,1]=4 94 B14R2.134 O=C1NC2=C(C=CC(OC)=C2)CC1 AK-76141 [1,0,0,1,0,0|1,0,1]=4 95 B14R2.2332 COC1=CC2=C(NC(=O)CO2)C=C1 AK110584 [1,0,0,1,0,0|1,0,1]=4 96 B14R2.3274 C1=C2C(=CC=C1OC)NC(C2=O)=O AK-48222 [1,0,0,1,0,0|1,0,0]=3 97 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O AK-40726 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)C)O AK-77187 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O AK-44665 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.4529 OC(=O)C1=CC2=C(O1)C=CC(O)=C2 AK-48342 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.1815 COC1=CC=C2C(=C1)NC(C2=O)=O AK-41925 [0,0,0,1,1,0|1,0,0]=3 102 B16R2.7604 COC1=CC=C2C(=C1)[NH]C(=C2)C(=O)OC AK-26863 [0,1,0,1,0,0|1,0,1]=4 103 B16R2.1933 O=C(C1=CC2=CC(Br)=C(OC)C=C2O1)O AK540811 [0,1,0,1,0,0|0,0,2]=4 104 B12R1.5 C(C)C1=CC=C(C=C1)C(=O)C=O AK-10028 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [1,0,0,0,1,0|1,0,1]=4 107 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.20 CC(C1=CC=C(C)C=C1)C(O)=O AK-36931 [1,0,0,0,1,0|1,0,1]=4 109 B12R1.20 CC1=CC=C(C=C1)C(=O)C(O)O AK-10007 [1,0,0,0,1,0|0,0,2]=4 110 B12R1.20 NC(C(O)=O)C1=CC=C(O)C=C1 AK-44146 [1,0,0,0,1,0|1,0,1]=4 111 B12R1.20 O=C(O)C(N)C1=CC=C(C)C=C1 AK-44517 [1,0,0,0,1,0|1,0,1]=4 112 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 AK-88708 [1,0,0,0,1,0|0,0,2]=4 113 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(O)C=C1 AK-28583 [1,0,0,0,1,0|1,0,1]=4 114 B12R1.20 O=C(O)[C@H](N)C1=CC=C(O)C=C1 AK-76523 [1,0,0,0,1,0|1,0,1]=4 115 B14R1.4 CCC1=CC=C(CCCC(O)=O)C=C1 AK-89005 [1,0,0,0,0,1|1,0,1]=4 116 B14R1.4 COC1=CC=C(OCCC(O)=O)C=C1 AK-83323 [1,0,0,0,0,1|0,0,1]=3 117 B14R1.4 O=C(O)CCCC1=CC=C(OC)C=C1 AK-25988 [1,0,0,0,0,1|0,0,1]=3 118 B14R1.4 O=C(O)CNCC1=CC=C(OC)C=C1 AK105733 [1,0,0,0,0,1|0,0,1]=3 119 B14R1.4 O=C(O)COCC1=CC=C(OC)C=C1 AK112640 [1,0,0,0,0,1|0,0,1]=3 120 B14R1.75 N[C@H](CC1=CC=CC(OC)=C1)C(O)=O AK-41418 [0,0,0,0,1,1|1,0,1]=4 121 B14R1.75 O=C(O)[C@@H](N)CC1=CC=CC(OC)=C1 AK-41641 [0,0,0,0,1,1|1,0,1]=4 122 B16R1.5 COC1=CC=C(CSC[C@H](N)C(O)=O)C=C1 AK-81238 [0,0,0,0,0,2|1,0,1]=4