0 B14R1.42 C1=C(C=CC(O)=O)C=CC(=C1OC)O AK-32258 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.42 C1=C(C=CC(O)=O)C=CC(=C1OC)O AK-49078 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.42 COC1=C(O)C=CC(C=CC([O-])=O)=C1 AK111293 [0,0,0,0,0,0|1,0,2]=3 3 B14R1.42 O=C(O)CCC1=CC=C(O)C(OC)=C1 AK113150 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.511 O=C(O)CCC1=CC=C(Br)C(F)=C1 AK548708 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.511 O=C(O)CCC1=CC=C(C)C(C)=C1 AK130343 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 AK-34356 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 AK-40959 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.511 O=C(O)CCC1=CC=C(F)C(Br)=C1 AK548710 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 AK-88787 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.575 CCOCC1=CC=C(O)C(OC)=C1 AK-57722 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.575 OC1=CC=C(CCCO)C=C1OC AK122280 [1,0,0,0,0,0|0,0,2]=3 12 B13R1.643 COC1=CC=CC(CCC(O)=O)=C1 AK-32748 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.643 O=C(O)CCC1=CC=CC(C#N)=C1 AK-46076 [1,0,0,0,0,0|3,0,0]=4 14 B15R1.4039 O=C(OC)\C=C\C1=CC=C(O)C(OC)=C1 AK-88786 [0,1,0,0,0,0|0,0,2]=3 15 B15R1.12854 C1=C(C=C(C(=C1)OC)OC)CCC(=O)O AK-42426 [0,1,0,0,0,0|1,0,0]=2 16 B15R1.12854 COC1=C(OC)C=C(C=CC(O)=O)C=C1 AK-89652 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.52 FC1=C(C=C(C=C1)CC(=O)O)OC AK-36387 [0,0,0,0,1,0|2,0,0]=3 18 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [2,0,0,0,0,0|0,0,0]=2 20 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.286 OC1=CC=C(CCN)C=C1OC AK139276 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.382 CCNCC1=CC=CC(OC)=C1 AK-97801 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.382 COC1=CC(CCNC)=CC=C1 AK-94115 [2,0,0,0,0,0|1,0,0]=3 32 B14R1.685 O=C(O)C[C@@H](N)C1=CC=C(C)C(C)=C1 AK608044 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.686 NC(CC1=CC(Br)=C(O)C=C1)C(O)=O AK109449 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(Cl)=C1 AK-50086 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(I)=C1 AK-86417 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.686 O=C(O)[C@H](N)CC1=CC=C(O)C(I)=C1 AK167399 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 AK119798 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.686 O=C([O-])C(O)CC1=CC=C(O)C(O)=C1 AK310631 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.686 [C@H](N)(CC1=CC(Br)=C(O)C=C1)C(O)=O AK-82171 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.74 O=C(O)CC(N)C1=CC=CC(OC)=C1 AK124267 [1,1,0,0,0,0|1,0,0]=3 41 B14R1.75 N[C@H](CC1=CC=CC(OC)=C1)C(O)=O AK-41418 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.75 O=C(O)[C@@H](N)CC1=CC=CC(OC)=C1 AK-41641 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.41 O=C(O)[C@@H](N)C1=CC=C(F)C(OC)=C1 AK172762 [0,1,0,0,1,0|2,0,0]=4 44 B14R1.705 CC(=O)NC1=CC(C(C)=O)=C(O)C=C1 AK-36234 [0,1,0,0,1,0|2,0,0]=4 45 B14R1.3651 C1=CC(=CC(=C1OC)OC)CC(O)=O AK-26456 [0,1,0,0,1,0|1,0,0]=3 46 B14R1.3651 CC(CC1=CC=C(OC)C(OC)=C1)=O AK117208 [0,1,0,0,1,0|0,0,0]=2 47 B16R1.4273 O=C(O)CC(N)C1=CC=C(OC)C(OC)=C1 AK-45959 [0,2,0,0,0,0|1,0,0]=3 48 B16R1.4274 O=C(O)[C@@H](N)CC1=CC=C(OC)C(OC)=C1 AK-41629 [0,2,0,0,0,0|1,0,0]=3 49 B14R2.1128 OC1=CC2=C(C=C1OC)CCN=C2 AK-29266 [1,0,0,1,0,0|1,0,1]=4 50 B14R2.1416 O=C1CCC2=C1C=C(F)C(OC)=C2 AK-64649 [1,0,0,1,0,0|1,0,0]=3 51 B14R2.2332 COC1=CC2=C(NC(=O)CO2)C=C1 AK110584 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.2332 O=C1NC2=C(C=C(OC)C=C2)CC1 AK-30530 [1,0,0,1,0,0|1,0,0]=3 53 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 AK153075 [0,0,0,1,1,0|1,0,0]=3 54 B16R2.38127 CC(N1CCC2=C1C=C(N)C(OC)=C2)=O AK-88255 [0,0,0,1,0,1|1,0,0]=3 55 B16R2.11587 O=C(O)C[C@@H](N)C1=CC=C2OCOC2=C1 AK670787 [0,1,0,1,0,0|1,0,0]=3 56 B12R1.19 C1=C(C=CC(=C1Cl)O)NC(C)=O AK-39312 [1,0,0,0,1,0|2,0,0]=4 57 B12R1.19 CC(NC1=CC=C(O)C(C)=C1)=O AK147875 [1,0,0,0,1,0|1,0,0]=3 58 B12R1.19 O=C(O)CC1=CC=C(Br)C(C)=C1 AK-94397 [1,0,0,0,1,0|2,0,0]=4 59 B12R1.19 O=C(O)CC1=CC=C(N)C(C)=C1 AK151433 [1,0,0,0,1,0|2,0,0]=4 60 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 AK-35250 [1,0,0,0,1,0|2,0,0]=4 61 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 AK-45471 [1,0,0,0,1,0|1,0,0]=3 62 B12R1.19 OC(=O)CC1=CC(Br)=C(O)C=C1 AK-34961 [1,0,0,0,1,0|2,0,0]=4 63 B12R1.438 O=C(O)CC1=CC(OC)=NC=C1 AK103183 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.438 O=C(O)CC1=CC=CC(OC)=C1 AK-46642 [1,0,0,0,1,0|1,0,0]=3 65 B12R1.56 BrC1=C(C=C(C(=O)O)C=C1)OC AK-35652 [0,0,0,0,2,0|2,0,0]=4 66 B12R1.56 C1=C(C(=CC=C1C(O)=O)N)OC AK-24762 [0,0,0,0,2,0|2,0,0]=4 67 B12R1.56 C1=C(OC)C(=CC=C1C(O)=O)O AK-32998 [0,0,0,0,2,0|1,0,0]=3 68 B12R1.56 CC(C1=CC=C(Br)C(OC)=C1)=O AK144652 [0,0,0,0,2,0|1,0,0]=3 69 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F AK-36487 [0,0,0,0,2,0|2,0,0]=4 70 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 AK-36196 [0,0,0,0,2,0|2,0,0]=4 71 B12R1.56 O=C(O)C1=CC=C(Cl)C(OC)=C1 AK-36584 [0,0,0,0,2,0|2,0,0]=4 72 B12R1.56 OC1=CC=C([N+]([O-])=O)C=C1OC AK-29154 [0,0,0,0,2,0|2,0,0]=4