0 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 AK123482 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 AK149271 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 AK-42004 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 AK163292 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 AK-33190 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 AK139802 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 AK142366 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 AK-39960 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 AK-98958 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 AK477790 [0,0,0,0,0,0|1,0,2]=3 11 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 AK-51481 [0,0,0,0,0,0|1,1,2]=4 12 B13R2.10 NC1=NC(C2=NC=CC=C2)=CS1 AK-34592 [0,0,0,0,0,0|1,1,2]=4 13 B13R2.10 NC1=NC(C2=NC=CC=C2)=NS1 AK-42138 [0,0,0,0,0,0|2,1,1]=4 14 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 AK-64962 [0,0,0,0,0,0|1,0,3]=4 15 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 AK-41436 [0,0,0,0,0,0|2,0,2]=4 16 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 AK126060 [0,0,0,0,0,0|2,0,1]=3 17 B13R2.10 NC1=NN=C(C2=CC=CC=C2)O1 AK-28609 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.10 O=C1OC[C@@H](C2=CC=CC=C2)N1 AK-68242 [0,0,0,0,0,0|1,0,1]=2 19 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 AK-67990 [0,0,0,0,0,0|2,0,1]=3 20 B13R2.10 [C@H]1(NC(OC1)=O)C2=CC=CC=C2 AK-47582 [0,0,0,0,0,0|1,0,1]=2 21 B12R2.2 C1(=CC=CC=C1)C2=NC=CS2 AK-45808 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.2 C1(C2=CC=CC=C2)=NC=CN1 AK-88712 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.2 C1=NN(C=N1)C2=CC=CC=C2 AK-81493 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [1,0,0,0,0,0|1,0,2]=4 25 B12R2.2 N1(C2=CC=CC=C2)N=CC=N1 AK139751 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [1,0,0,0,0,0|1,0,2]=4 28 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [1,0,0,0,0,0|1,0,2]=4 29 B14R2.20 ClC1=CC=C(C=C1)C2CCC(=O)N2 AK-40653 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 AK-86379 [0,1,0,0,0,0|0,1,2]=4 31 B14R2.20 O=C1NC(C2=CC=C(Br)C=C2)CC1 AK103149 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)C1 AK141612 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.22 O=C1NCC(C2=CC=CC(Br)=C2)C1 AK-77912 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.256 NC1=NC(C2=CC=CC=C2C)=CS1 AK-83401 [0,1,0,0,0,0|0,1,2]=4 35 B14R2.256 NC1=NC(C2=CC=CC=C2Cl)=CS1 AK-51482 [0,1,0,0,0,0|0,1,2]=4 36 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 AK-60022 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,0,1,0,0,0|2,0,0]=3 38 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,0,1,0,0,0|2,0,1]=4 40 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,0,1,0,0,0|2,0,1]=4 42 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,0,1,0,0,0|3,0,0]=4 50 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [0,0,0,0,1,0|1,0,1]=3 51 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [0,0,0,0,0,1|2,0,0]=3 52 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [0,0,0,0,0,1|1,0,1]=3 53 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [0,0,0,0,0,1|1,0,1]=3 54 B14R2.21 C1(=CC=CC=C1)C2CC(CCO2)=O AK-33344 [0,0,0,0,0,1|3,0,0]=4 55 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 AK-41465 [0,0,0,0,0,1|1,0,2]=4 56 B14R2.21 N[C@H]1C[C@H](C2=CC=CC=C2)OCC1 AK120843 [0,0,0,0,0,1|2,0,1]=4 57 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AK-84674 [0,0,0,0,0,1|1,0,1]=3 58 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 AK-51101 [0,0,0,0,0,1|2,0,1]=4 59 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=C1 AK-49695 [0,0,0,0,0,1|1,0,2]=4 60 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 AK116639 [0,0,0,0,0,1|3,0,0]=4 61 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 AK143261 [0,0,0,0,0,1|1,0,1]=3 62 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [1,0,1,0,0,0|1,0,1]=4 63 B11R1.12 OCC(C1=CC=CC=C1)CO AK-39914 [1,0,1,0,0,0|1,0,1]=4 64 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [1,0,1,0,0,0|1,0,1]=4 66 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [1,0,1,0,0,0|1,0,1]=4 68 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,0,1,0,0,0|1,0,1]=4 69 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,0,1,0,0,0|2,0,0]=4 70 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104659 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104667 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.14 BrC1=CC=C(C=C1)CCC(=O)OC AK-39981 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.14 O=C(OC)CCC1=CC=C(I)C=C1 AK209542 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK-64364 [0,1,1,0,0,0|2,0,0]=4 75 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK175380 [0,1,1,0,0,0|2,0,0]=4 76 B13R1.14 O=C(OC)CCC1=CC=C(O)C=C1 AK-35645 [0,1,1,0,0,0|2,0,0]=4 77 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 AK-79037 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.15 O=C(OC)CCC1=CC=CC(Br)=C1 AK-83017 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O AK-44164 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.135 O=C(OC)C(N)CC1=CC=CC=C1 AK-88496 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.135 O=C(OC)[C@H](N)CC1=CC=CC=C1 AK-44133 [0,1,1,0,0,0|2,0,0]=4 83 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.528 COC(=O)CCC1=CC=CC=C1Br AK-48437 [0,1,1,0,0,0|2,0,0]=4 85 B13R1.152 CC(C1=CC=CC=C1)C(N)C(O)=O AK-36440 [0,1,1,0,0,0|2,0,0]=4 86 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [0,1,0,0,1,0|1,0,1]=4 87 B15R2.98 NC1=CC=C(C[C@H]2COC(N2)=O)C=C1 AK-28626 [0,1,0,0,0,1|1,0,1]=4 88 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC AK163865 [0,0,1,1,0,0|2,0,0]=4 89 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,0,1,1,0,0|2,0,0]=4 90 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,0,1,1,0,0|2,0,0]=4 91 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,0,1,1,0,0|2,0,0]=4 92 B13R2.163 C1=CC=CC2=C1NC(=O)CCC2 AK-25978 [0,0,1,1,0,0|2,0,0]=4 93 B13R2.163 O=C1NCCC2=CC=CC=C2N1 AK551054 [0,0,1,1,0,0|2,0,0]=4 94 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,1,0,1,0|1,0,0]=3 95 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,1,0,1,0|2,0,0]=4 96 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,0,1,0,1,0|2,0,0]=4 97 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,0,1,0,1,0|1,0,0]=3 98 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,0,1,0,1,0|2,0,0]=4 99 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,0,1,0,1,0|1,0,0]=3 100 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,0,1,0,1,0|1,0,0]=3 101 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,0,1,0,1,0|1,0,1]=4 102 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,0,1,0,1,0|1,0,1]=4 103 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,0,1,0,1,0|1,0,1]=4 104 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,0,1,0,1,0|2,0,0]=4 105 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,0,1,0,1,0|2,0,0]=4 106 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,0,1,0,1,0|2,0,0]=4 107 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,0,1,0,1,0|2,0,0]=4 108 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,0,1,0,1,0|2,0,0]=4 109 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,0,1,0,1,0|2,0,0]=4 110 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,0,1,0,1,0|2,0,0]=4 111 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [1,0,0,0,1,0|1,0,1]=4 112 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,0,0,0,2,0|0,0,1]=3 113 B13R1.337 NC(OCCCC1=CC=CC=C1)=O AK545335 [0,0,1,0,0,1|1,0,0]=3