0 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [1,0,0,0,0,0|1,0,2]=4 1 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-44152 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-77790 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.64 C1(CC2=CC=CC=C2)=NC=CN1 AK104967 [0,0,0,1,0,0|2,0,1]=4 10 B13R2.64 N1(CC2=CC=CC=C2)CC=CC1 AK-36118 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.135 C1=CC=CC2=C1C(=C(C)[NH]2)C=O AK-16445 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.328 C1=CC=CC2=C1C(NC(C2)=O)=O AK-24472 [0,0,0,1,0,0|1,0,1]=3 13 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 AK-55016 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.328 O=C1NC(C2=C(N1)C=CC=C2)=O AK-26998 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.328 O=C1NC(Cl)=NC2=C1C=CC=C2 AK-84561 [0,0,0,1,0,0|2,0,1]=4 16 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [0,0,0,0,1,0|3,0,0]=4 17 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C AK-86292 [0,0,0,0,0,1|2,0,1]=4 18 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [2,0,0,0,0,0|0,0,2]=4 19 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|0,0,0]=2 24 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [2,0,0,0,0,0|0,0,2]=4 27 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|0,0,2]=4 28 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.30 O=CNCC(C1=CC=CC=C1)=O AK-93558 [1,1,0,0,0,0|0,0,1]=3 34 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [1,1,0,0,0,0|0,0,2]=4 59 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [1,1,0,0,0,0|0,0,1]=3 63 B12R1.39 CC(C1=CC=CC=C1)(C)CC=O AK141497 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,1,0,0,1,0|0,0,2]=4 66 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,1,0,0,1,0|2,0,0]=4 73 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK114880 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK341934 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.423 O=C(O)CNC(CC1=CC=CC=C1)=O AK135274 [0,2,0,0,0,0|1,0,1]=4 76 B14R1.425 [C@@H](N)(CC1=CC=CC=C1)[C@H](O)C(O)=O AK-44017 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.337 O=C(O)C[C@H](N)CC1=CC=CC=C1C AK341933 [0,2,0,0,0,0|2,0,0]=4 78 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [1,0,0,1,0,0|1,0,1]=4 79 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 AK-29295 [1,0,0,1,0,0|0,0,2]=4 80 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [1,0,0,1,0,0|0,0,0]=2 81 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [1,0,0,1,0,0|1,0,1]=4 82 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [1,0,0,1,0,0|1,0,1]=4 83 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O AK-29412 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [1,0,0,1,0,0|1,0,0]=3 85 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 AK-27831 [1,0,0,1,0,0|1,0,1]=4 90 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AK119860 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [1,0,0,1,0,0|1,0,0]=3 92 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.24 CC1CC2=C(CN1)C=CC=C2 AK-77462 [1,0,0,1,0,0|0,0,1]=3 94 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AK146007 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.32 CNC1CC2=C(C=CC=C2)C1 AK119636 [1,0,0,1,0,0|0,0,1]=3 96 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,0,0,1,1,0|2,0,0]=4 97 B12R2.2028 O=C1NC(N)C2=C1C=CC=C2 AK158160 [0,0,0,1,1,0|1,0,0]=3 98 B12R2.2028 O=C1NC(O)C2=NC=CC=C21 AK146257 [0,0,0,1,1,0|2,0,0]=4 99 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 AK155423 [0,0,0,1,1,0|1,0,0]=3 100 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [0,0,0,1,1,0|2,0,0]=4 101 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 AK-40561 [0,0,0,1,0,1|1,0,0]=3 102 B14R2.29365 O=C1NC(C)=NC2=C1C=CC(Br)=C2 AK158847 [0,1,0,1,0,0|1,0,1]=4 103 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AK-26329 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [0,1,0,1,0,0|1,0,0]=3 105 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [0,1,0,1,0,0|0,0,0]=2 106 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [0,1,0,1,0,0|0,0,0]=2 107 B14R2.768 OC(=O)CC1CC2=CC=CC=C2C1 AK-90079 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [1,0,0,0,1,0|1,0,1]=4 109 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [1,0,0,0,1,0|1,0,1]=4 110 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,0,0,0,1,0|0,0,1]=3 111 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,0,0,0,1,0|1,0,0]=3