0 B13R1.718 C1=CC=CC=C1NCCC(=O)OC AK-48038 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.718 O=C(OC)CNCC1=CC=CC=C1 AK-62852 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.718 O=C(OC)COCC1=CC=CC=C1 AK164941 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.8 CCCCCCC1=CC=NC=C1 AK123346 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [1,0,0,0,0,0|3,0,0]=4 12 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 AK109314 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.520 C(C)OC(CCNC1=NC=CC=C1)=O AK-31676 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 AK-26991 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.520 O=C(OCC)NCCC1=CC=CC=C1 AK-47113 [0,1,0,0,0,0|1,0,0]=2 16 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AK-78922 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AK-26329 [0,0,0,1,0,0|2,0,0]=3 18 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [0,0,0,1,0,0|2,0,0]=3 19 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [0,0,0,1,0,0|2,0,0]=3 20 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [0,0,0,1,0,0|2,0,0]=3 21 B14R2.68 N1=CC=C(C=C1)N2CCC(CC2)=O AK-39834 [0,0,0,1,0,0|3,0,0]=4 22 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 AK116639 [0,0,0,1,0,0|1,0,0]=2 23 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 AK-45360 [0,0,0,1,0,0|2,0,0]=3 24 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 AK143261 [0,0,0,1,0,0|1,0,0]=2 25 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,0,0,0,1,0|1,0,0]=2 26 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,0,0,0,1,0|2,0,0]=3 27 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,0,0,0,1,0|1,0,0]=2 28 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,0,0,0,1,0|2,0,0]=3 29 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,0,0,0,1,0|1,0,2]=4 30 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,0,0,0,1,0|1,0,0]=2 31 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,0,0,0,1,0|1,0,0]=2 32 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,0,0,0,1,0|1,0,0]=2 33 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,0,0,0,1,0|1,0,0]=2 34 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,0,0,0,1,0|2,0,0]=3 35 B14R1.716 O=C(OC)CCOCC1=CC=CC=C1 AK-40960 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [2,0,0,0,0,0|1,0,1]=4 37 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [2,0,0,0,0,0|1,0,1]=4 44 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 AK-41336 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.45 O=C(O)CC[C@@H](N)C1=CC=CC=C1 AK174392 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.149 NC1=CC=CC(CCCC(O)=O)=C1 AK-36873 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 AK116882 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-44152 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-77790 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.351 O=C(O)C(N)CCC1=CC=CC=C1 AK-80198 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.351 O=C(O)[C@@H](N)CCC1=CC=CC=C1 AK-47396 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.351 O=C(O)[C@H](N)CCC1=CC=CC=C1 AK-44092 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.351 [C@H](O)(C(=O)O)CCC1=CC=CC=C1 AK-34569 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.513 C1=C(C=CC(=C1)O)CCCC(=O)O AK-25224 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.513 CC(NCCC1=CC=C(O)C=C1)=O AK106967 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 AK-81606 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.513 O=C(O)CCCC1=CC=C(C)C=C1 AK-92957 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 AK-38450 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 AK327765 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.3523 CS(=O)(OCCC1=CC=CC=C1)=O AK136320 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.11 O=C(OC)CC(N)C1=NC=CC=C1 AK409737 [0,1,0,0,1,0|2,0,0]=4 63 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104659 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104667 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.14 BrC1=CC=C(C=C1)CCC(=O)OC AK-39981 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.14 O=C(OC)CCC1=CC=C(I)C=C1 AK209542 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK-64364 [0,1,0,0,1,0|1,0,0]=3 68 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK175380 [0,1,0,0,1,0|1,0,0]=3 69 B13R1.14 O=C(OC)CCC1=CC=C(O)C=C1 AK-35645 [0,1,0,0,1,0|1,0,0]=3 70 B13R1.14 O=C(OC)CNC1=CC=C(O)C=C1 AK-88073 [0,1,0,0,1,0|2,0,0]=4 71 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 AK-79037 [0,1,0,0,1,0|1,0,0]=3 72 B13R1.15 O=C(OC)CCC1=CC=CC(Br)=C1 AK-83017 [0,1,0,0,1,0|1,0,0]=3 73 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O AK-44164 [0,1,0,0,1,0|1,0,0]=3 74 B13R1.135 O=C(OC)C(N)CC1=CC=CC=C1 AK-88496 [0,1,0,0,1,0|1,0,0]=3 75 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [0,1,0,0,1,0|1,0,0]=3 76 B13R1.135 O=C(OC)[C@H](N)CC1=CC=CC=C1 AK-44133 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.528 COC(=O)CCC1=CC=CC=C1Br AK-48437 [0,1,0,0,1,0|1,0,0]=3 79 B15R1.1321 O=C(OC)[C@@H](N)COCC1=CC=CC=C1 AK111180 [0,1,0,0,0,1|2,0,0]=4 80 B15R1.1321 O=C(OC)[C@@H](N)CSCC1=CC=CC=C1 AK-60116 [0,1,0,0,0,1|2,0,0]=4 81 B15R1.3664 CC(C)C(OCCOC1=CC=CC=C1)=O AK305322 [0,1,0,0,0,1|0,0,0]=2 82 B15R1.11 O=C(OCC)CCCC1=CC=C(Br)C=C1 AK109535 [0,2,0,0,0,0|1,0,0]=3 83 B15R1.112 CC(C)C(NCCC1=CC=C(Br)C=C1)=O AK201874 [0,2,0,0,0,0|1,0,0]=3 84 B15R1.809 O=C(OCC)CC(CC1=CC=CC=C1)=O AK-32542 [0,2,0,0,0,0|1,0,1]=4 85 B15R1.826 O=C(OCC)C(CCC1=CC=CC=C1)=O AK116966 [0,2,0,0,0,0|1,0,0]=3 86 B15R1.826 O=C(OCC)[C@@H](N)CCC1=CC=CC=C1 AK-47422 [0,2,0,0,0,0|1,0,0]=3 87 B15R1.826 O=C(OCC)[C@H](N)CCC1=CC=CC=C1 AK-61280 [0,2,0,0,0,0|1,0,0]=3 88 B13R2.3 C1(C2=CC=CC=C2)CCNCC1 AK-44099 [1,0,0,1,0,0|2,0,0]=4 89 B13R2.3 C1(C2=CC=CC=C2)CCNCC1 AK-44860 [1,0,0,1,0,0|2,0,0]=4 90 B13R2.3 C1(C2CCCCC2)=CC=CC=C1 AK-97259 [1,0,0,1,0,0|1,0,1]=4 91 B13R2.3 [C@@H]1(C2=CC=CC=C2)CNCCC1 AK-86176 [1,0,0,1,0,0|1,0,1]=4 92 B13R2.3 [C@@H]1(C2=CC=CC=C2)NCCOC1 AK-87116 [1,0,0,1,0,0|1,0,1]=4 93 B13R2.3 [C@H]1(C2=CC=CC=C2)NCCOC1 AK109204 [1,0,0,1,0,0|1,0,1]=4 94 B13R2.1613 CCC1NCCC2=C1C=CC=C2 AK-28676 [1,0,0,1,0,0|1,0,1]=4 95 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [1,0,0,1,0,0|1,0,0]=3 96 B13R2.10 O=C1OC[C@@H](C2=CC=CC=C2)N1 AK-68242 [1,0,0,1,0,0|1,0,0]=3 97 B13R2.10 [C@H]1(NC(OC1)=O)C2=CC=CC=C2 AK-47582 [1,0,0,1,0,0|1,0,0]=3 98 B13R2.72 CC(N1CCC2=C1C=CC=C2)=O AK-47012 [1,0,0,1,0,0|1,0,0]=3 99 B13R2.72 O=C(C1CCC2=C1C=CC=C2)O AK-39534 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.163 C1=CC=CC2=C1NC(=O)CCC2 AK-25978 [1,0,0,1,0,0|2,0,0]=4 101 B13R2.163 O=C1NCCC2=CC=CC=C2N1 AK551054 [1,0,0,1,0,0|2,0,0]=4 102 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [1,0,0,1,0,0|2,0,0]=4 103 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [1,0,0,1,0,0|2,0,0]=4 104 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [0,0,0,1,1,0|2,0,0]=4 106 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC AK163865 [0,0,0,1,1,0|1,0,0]=3 107 B15R2.29 C1=C(CN2CCC(=O)CC2)C=CC=C1 AK-25849 [0,0,0,1,0,1|1,0,0]=3 108 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 AK-17123 [0,0,0,1,0,1|2,0,0]=4 109 B15R2.3 O=C1CCC(C2=CC=C(Cl)C=C2)CC1 AK-44329 [0,1,0,1,0,0|1,0,0]=3 110 B15R2.3 OC1=CC=C(C=C1)C2CCC(CC2)=O AK-32757 [0,1,0,1,0,0|1,0,0]=3 111 B15R2.98 NC1=CC=C(C[C@H]2COC(N2)=O)C=C1 AK-28626 [0,1,0,1,0,0|2,0,0]=4 112 B15R2.96 O=C1CCC(C2=CC=CC=C2)(C)C=C1 AK132206 [0,1,0,1,0,0|1,0,1]=4 113 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCC1 AK-35368 [0,1,0,1,0,0|2,0,0]=4 114 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCC1 AK-39170 [0,1,0,1,0,0|2,0,0]=4 115 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCC1 AK105100 [0,1,0,1,0,0|2,0,0]=4 116 B15R2.325 O=C1CN(CC2=CC=CC=C2)C(C)C1 AK158364 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [1,0,0,0,1,0|0,0,2]=4 118 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [1,0,0,0,1,0|1,0,0]=3 119 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,0,0,0,1,0|1,0,0]=3 120 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,0,0,0,1,0|1,0,0]=3 121 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,0,0,0,1,0|1,0,0]=3 122 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [1,0,0,0,1,0|2,0,0]=4 123 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [1,0,0,0,1,0|2,0,0]=4 124 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [0,0,0,0,2,0|2,0,0]=4 125 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,0,0,0,2,0|2,0,0]=4 126 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,0,0,0,2,0|2,0,0]=4 127 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,0,0,0,2,0|2,0,0]=4 128 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,0,0,2,0|1,0,0]=3 129 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,0,0,2,0|1,0,0]=3 130 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,0,0,0,2,0|1,0,0]=3