0 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.91 CC(NCC1=CN=CN=C1)=O AK147247 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [1,0,0,0,0,0|2,1,0]=4 23 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [1,0,0,0,0,0|2,0,1]=4 33 B13R1.11 O=C(OC)CC(N)C1=NC=CC=C1 AK409737 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104659 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104667 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.14 BrC1=CC=C(C=C1)CCC(=O)OC AK-39981 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.14 COC(=O)/C=C/C1=CC=C(O)C=C1 AK109487 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.14 O=C(OC)CCC1=CC=C(I)C=C1 AK209542 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK-64364 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK175380 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.14 O=C(OC)CCC1=CC=C(O)C=C1 AK-35645 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.14 O=C(OC)CNC1=CC=C(O)C=C1 AK-88073 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.14 O=C(OC)\C=C\C1=CC=C(Br)C=C1 AK117162 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.14 O=C(OC)\C=C\C1=CC=C(O)C=C1 AK-49067 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 AK-79037 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.15 O=C(OC)CCC1=CC=CC(Br)=C1 AK-83017 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.42 C(C)OC(COC1=CC=CN=C1)=O AK-37073 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.42 CCOC(=O)C=CC1=CC=NC=C1 AK-49599 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.42 NCCC(OCC1=CC=CC=C1)=O AK-81294 [0,1,0,0,0,0|0,0,0]=1 50 B13R1.42 O=C(NCC1=CC=CC=C1)CC#N AK305341 [0,1,0,0,0,0|1,0,1]=3 51 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C AK-86292 [0,1,0,0,0,0|0,0,2]=3 52 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O AK-44164 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.135 O=C(OC)C(N)CC1=CC=CC=C1 AK-88496 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.135 O=C(OC)[C@H](N)CC1=CC=CC=C1 AK-44133 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.351 C1=CC=CC=C1COC(C(C)N)=O AK-41707 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.351 C[C@@H](N)C(OCC1=CC=CC=C1)=O AK-49776 [0,1,0,0,0,0|0,0,0]=1 59 B13R1.351 C[C@H](N)C(OCC1=CC=CC=C1)=O AK-49907 [0,1,0,0,0,0|0,0,0]=1 60 B13R1.351 NN(C(OCC1=CC=CC=C1)=O)C AK-68379 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.528 COC(=O)CCC1=CC=CC=C1Br AK-48437 [0,1,0,0,0,0|2,0,0]=3 63 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [0,0,0,1,0,0|2,0,0]=3 64 B13R2.10 O=C1OC[C@@H](C2=CC=CC=C2)N1 AK-68242 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.10 [C@H]1(NC(OC1)=O)C2=CC=CC=C2 AK-47582 [0,0,0,1,0,0|2,0,0]=3 66 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [0,0,0,1,0,0|2,0,0]=3 67 B13R2.2383 C1(OCC2=CC=CC=C2)CNC1 AK-93411 [0,0,0,1,0,0|2,0,1]=4 68 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC AK163865 [0,0,0,1,0,0|2,0,0]=3 69 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [0,0,0,0,1,0|3,0,0]=4 70 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [0,0,0,0,1,0|1,0,2]=4 71 B11R1.40 ClCC(=O)NC1=CC=NC=C1 AK109595 [0,0,0,0,1,0|3,0,0]=4 72 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,0,0,0,1,0|2,0,0]=3 73 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,0,0,0,1,0|2,0,0]=3 74 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,0,0,0,1,0|2,0,0]=3 75 B11R1.40 O=C(NC1=NC=CC=C1)CCl AK-32350 [0,0,0,0,1,0|3,0,0]=4 76 B11R1.40 O=C(NN)CC1=CC=NC=C1 AK110454 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,0,0,1,0|1,0,0]=2 78 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [0,0,0,0,1,0|3,0,0]=4 79 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [0,0,0,0,1,0|3,0,0]=4 80 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,0,0,1,0|1,0,0]=2 81 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,0,0,0,1,0|1,0,0]=2 82 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,0,0,0,1,0|2,0,1]=4 83 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,0,0,0,1,0|2,0,1]=4 84 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,0,0,0,1,0|2,0,1]=4 85 B13R1.718 C1=CC=CC=C1NCCC(=O)OC AK-48038 [0,0,0,0,0,1|2,0,0]=3 86 B13R1.718 CC(CBr)COCC1=CC=CC=C1 AK103236 [0,0,0,0,0,1|2,0,1]=4 87 B13R1.718 O=C(OC)CNCC1=CC=CC=C1 AK-62852 [0,0,0,0,0,1|2,0,0]=3 88 B13R1.718 O=C(OC)COCC1=CC=CC=C1 AK164941 [0,0,0,0,0,1|1,0,0]=2 89 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [2,0,0,0,0,0|0,0,1]=3 94 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [2,0,0,0,0,0|0,0,0]=2 100 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [2,0,0,0,0,0|1,0,1]=4 103 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.8 BrCCCOCC1=CC=CC=C1 AK-47534 [1,1,0,0,0,0|0,0,1]=3 106 B12R1.8 NCCCNCC1=CC=CC=C1 AK-58979 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.8 NCCCOCC1=CC=CC=C1 AK-33608 [1,1,0,0,0,0|0,0,1]=3 108 B12R1.8 OCCCOCC1=CC=CC=C1 AK-99881 [1,1,0,0,0,0|0,0,1]=3 109 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [1,1,0,0,0,0|0,0,2]=4 110 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.21 CC(NNC1=CC=C(Br)C=C1)=O AK668231 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,1,0,0,1,0|1,0,0]=3 146 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [0,1,0,0,1,0|1,0,1]=4 147 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,1,0,0,1,0|1,0,0]=3 148 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,1,0,0,1,0|1,0,0]=3 149 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,1,0,0,1,0|1,0,0]=3 150 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,1,0,0,1,0|1,0,0]=3 151 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,1,0,0,1,0|1,0,0]=3 152 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,1,0,0,1,0|1,0,0]=3 153 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,1,0,0,1,0|1,0,0]=3 154 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,1,0,0,1,0|1,0,0]=3 156 B12R1.49 O=C(OC)CC1=CC=C(Cl)N=C1 AK137274 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.49 O=C(OC)CC1=NC=C(Br)C=C1 AK144847 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.50 O=C(OC)CC1=CC=CC(Br)=C1 AK-33399 [0,1,0,0,1,0|1,0,0]=3 160 B12R1.50 O=C(OC)CC1=CC=CC(F)=C1 AK161785 [0,1,0,0,1,0|1,0,0]=3 161 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-35502 [0,1,0,0,1,0|1,0,0]=3 162 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-86789 [0,1,0,0,1,0|1,0,0]=3 163 B12R1.50 O=C(OC)CC1=NC(Cl)=CC=C1 AK-63367 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 AK-39324 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 AK-76378 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.371 O=C(OC)CC1=CC=CC=C1Br AK114701 [0,1,0,0,1,0|1,0,0]=3 167 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [0,1,0,0,1,0|1,0,0]=3 168 B12R1.371 O=C(OC)CC1=CC=CC=C1N AK133070 [0,1,0,0,1,0|1,0,0]=3 169 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 AK109314 [0,1,0,0,0,1|2,0,0]=4 170 B14R1.520 C(C)OC(CCNC1=NC=CC=C1)=O AK-31676 [0,1,0,0,0,1|2,0,0]=4 171 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 AK-26991 [0,1,0,0,0,1|1,0,0]=3 172 B14R1.520 O=C(OCC)NCCC1=CC=CC=C1 AK-47113 [0,1,0,0,0,1|1,0,0]=3 173 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AK-78922 [0,1,0,0,0,1|2,0,0]=4 174 B14R1.10 O=C(OC)C[C@H](N)C1=CC=C(Br)C=C1 AK172668 [0,2,0,0,0,0|2,0,0]=4 175 B14R1.11 O=C(OC)C[C@@H](N)C1=CC=CC(Br)=C1 AK329847 [0,2,0,0,0,0|2,0,0]=4 176 B14R1.11 O=C(OC)C[C@@H](N)C1=CC=CC(O)=C1 AK607947 [0,2,0,0,0,0|2,0,0]=4 177 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 AK-43947 [0,2,0,0,0,0|1,0,0]=3 178 B14R1.29 O=C(OCC)CC(C1=CC=CC=C1)=O AK-72988 [0,2,0,0,0,0|1,0,1]=4 179 B14R1.29 O=C(OCC)CC(N)C1=CC=CN=C1 AK-82823 [0,2,0,0,0,0|2,0,0]=4 180 B14R1.29 O=C(OCC)CC(O)C1=CC=CC=C1 AK-82824 [0,2,0,0,0,0|1,0,0]=3 181 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 AK-60005 [0,2,0,0,0,0|1,0,0]=3 182 B14R1.85 COC([C@@H]([C@@H](N)C1=CC=CC=C1)O)=O AK-25364 [0,2,0,0,0,0|2,0,0]=4 183 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-44175 [0,2,0,0,0,0|2,0,0]=4 184 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-49703 [0,2,0,0,0,0|2,0,0]=4 185 B14R1.134 N[C@H](CC1=CC=C(Cl)C=C1)C(OC)=O AK-49701 [0,2,0,0,0,0|2,0,0]=4 186 B14R1.134 O=C(OC)C(N)CC1=CC=C(O)C=C1 AK115635 [0,2,0,0,0,0|2,0,0]=4 187 B14R1.134 O=C(OC)[C@@H](N)CC1=CC=C(Br)C=C1 AK117108 [0,2,0,0,0,0|2,0,0]=4 188 B14R1.134 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)OC AK-49737 [0,2,0,0,0,0|2,0,0]=4 189 B14R1.502 BrC1=CC=C(C=C1)CCC(=O)OCC AK-35074 [0,2,0,0,0,0|1,0,0]=3 190 B14R1.502 CCOC(=O)/C=C/C1=CC=C(O)C=C1 AK104398 [0,2,0,0,0,0|1,0,1]=4 191 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AK-72737 [0,2,0,0,0,0|1,0,0]=3 192 B14R1.502 O=C(OCC)C#CC1=CC=C(Cl)C=C1 AK156093 [0,2,0,0,0,0|1,0,1]=4 193 B14R1.502 O=C(OCC)\C=C\C1=CC=C(Br)C=C1 AK112240 [0,2,0,0,0,0|1,0,1]=4 194 B14R1.727 O=C(OC)CCC1=CC=C(O)C=C1O AK-88895 [0,2,0,0,0,0|2,0,0]=4 195 B14R1.32 O=C(OCC)CNC1=CC=CC(Br)=C1 AK312747 [0,2,0,0,0,0|2,0,0]=4 196 B14R1.135 O=C(OC)C(O)CC1=CC=CC(O)=C1 AK187423 [0,2,0,0,0,0|2,0,0]=4 197 B14R1.135 O=C(OC)[C@@H](N)CC1=CC=CC(O)=C1 AK130675 [0,2,0,0,0,0|2,0,0]=4 198 B14R1.60 N[C@@H](CC1=CC=CC=C1)C(OCC)=O AK-46035 [0,2,0,0,0,0|1,0,0]=3 199 B14R1.60 O=C(OCC)C(N)CC1=CC=CC=C1 AK544810 [0,2,0,0,0,0|1,0,0]=3 200 B14R1.156 BrCCNC(=O)OCC1=CC=CC=C1 AK-41250 [0,2,0,0,0,0|0,0,0]=2 201 B14R1.156 O=C(OCC1=CC=CC=C1)CCCBr AK116323 [0,2,0,0,0,0|0,0,0]=2 202 B14R1.156 O=C(OCC1=CC=CC=C1)CCCN AK-87747 [0,2,0,0,0,0|0,0,0]=2 203 B14R1.156 O=C(OCC1=CC=CC=C1)NCCN AK-43139 [0,2,0,0,0,0|0,0,0]=2 204 B14R1.156 O=C(OCC1=CC=CC=C1)NCCO AK-90111 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 AK-47819 [0,2,0,0,0,0|1,0,0]=3 206 B14R1.598 O=C(OCC)COC1=CC=CC=C1O AK-97218 [0,2,0,0,0,0|2,0,0]=4 207 B14R1.1031 [C@@H](CC1=CC=CC=C1)(NC)C(=O)OC AK-88953 [0,2,0,0,0,0|2,0,0]=4 208 B14R1.1107 O=C(OC)C(C)(N)CC1=CC=CC=C1 AK162596 [0,2,0,0,0,0|2,0,0]=4 209 B14R1.3099 C1=CC=CC=C1CNC(C(C)(C)Br)=O AK-64924 [0,2,0,0,0,0|1,0,0]=3 210 B14R1.3099 CC(C)(O)C(OCC1=CC=CC=C1)=O AK-85827 [0,2,0,0,0,0|0,0,0]=2 211 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [1,0,0,1,0,0|1,0,1]=4 212 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [1,0,0,1,0,0|2,0,0]=4 213 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [1,0,0,1,0,0|1,0,1]=4 214 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [1,0,0,1,0,0|1,0,1]=4 215 B12R2.41 C12=CC=CC=C1CNCCC2 AK-36214 [1,0,0,1,0,0|1,0,1]=4 216 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [1,0,0,1,0,0|2,0,0]=4 217 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [1,0,0,1,0,0|2,0,0]=4 218 B12R2.1081 CC1CNCC2=C1C=CC=C2 AK130522 [1,0,0,1,0,0|1,0,1]=4 219 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [1,0,0,1,0,0|1,0,1]=4 220 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [1,0,0,1,0,0|0,0,0]=2 222 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [1,0,0,1,0,0|2,0,0]=4 223 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [0,0,0,1,1,0|1,0,1]=4 225 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [0,0,0,1,1,0|1,0,1]=4 226 B12R2.32 CCC1=NC2=CC=CC=C2N1 AK-31912 [0,0,0,1,1,0|2,0,0]=4 227 B12R2.32 CCC1=NC2=CC=CC=C2O1 AK551044 [0,0,0,1,1,0|1,0,0]=3 228 B12R2.32 CCC1=NC2=NC=CC=C2O1 AK-85808 [0,0,0,1,1,0|2,0,0]=4 229 B12R2.32 CSC1=NC2=CC=CC=C2O1 AK108390 [0,0,0,1,1,0|2,0,0]=4 230 B12R2.32 ClCC1=NC2=C(O1)C=CC=C2 AK-61808 [0,0,0,1,1,0|2,0,0]=4 231 B12R2.32 O1C2=C(N=C1CO)C=CC=C2 AK-31640 [0,0,0,1,1,0|2,0,0]=4 232 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AK-26329 [0,0,0,1,0,1|1,0,0]=3 233 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [0,0,0,1,0,1|2,0,0]=4 234 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [0,0,0,1,0,1|2,0,0]=4 235 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [0,0,0,1,0,1|2,0,0]=4 236 B14R2.68 N1=CC=C(C=C1)N2CCC(CC2)=O AK-39834 [0,0,0,1,0,1|2,0,0]=4 237 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 AK116639 [0,0,0,1,0,1|1,0,0]=3 238 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 AK-45360 [0,0,0,1,0,1|1,0,0]=3 239 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 AK143261 [0,0,0,1,0,1|1,0,0]=3 240 B14R2.3019 C1(COCC2=CC=CC=C2)NCC1 AK-66925 [0,0,0,1,0,1|1,0,1]=4 241 B14R2.21 C1(=CC=CC=C1)C2CC(CCO2)=O AK-33344 [0,1,0,1,0,0|1,0,0]=3 242 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AK-84674 [0,1,0,1,0,0|1,0,0]=3 243 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 AK-51101 [0,1,0,1,0,0|1,0,0]=3 244 B14R2.20 ClC1=CC=C(C=C1)C2CCC(=O)N2 AK-40653 [0,1,0,1,0,0|1,0,0]=3 245 B14R2.20 O=C1NC(C2=CC=C(Br)C=C2)CC1 AK103149 [0,1,0,1,0,0|1,0,0]=3 246 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)C1 AK141612 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.22 O=C1NCC(C2=CC=CC(Br)=C2)C1 AK-77912 [0,1,0,1,0,0|2,0,0]=4 248 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 AK-74240 [0,1,0,1,0,0|1,0,1]=4 249 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 AK119619 [0,1,0,1,0,0|1,0,1]=4 250 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 AK-60022 [0,1,0,1,0,0|0,0,0]=2 251 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,0,0,0,1,0|1,0,0]=3 252 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [1,0,0,0,1,0|2,0,0]=4 253 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [1,0,0,0,1,0|2,0,0]=4 254 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,0,0,0,1,0|1,0,1]=4 255 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,0,0,0,1,0|1,0,0]=3 256 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,0,0,0,1,0|1,0,1]=4 257 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,0,0,0,1,0|2,0,0]=4 258 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,0,0,0,1,0|1,0,0]=3 259 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [1,0,0,0,1,0|2,0,0]=4 260 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [1,0,0,0,1,0|2,0,0]=4 261 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [1,0,0,0,1,0|2,0,0]=4 262 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [1,0,0,0,1,0|1,1,0]=4 263 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [1,0,0,0,1,0|1,0,0]=3 264 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [0,0,0,0,2,0|2,0,0]=4 265 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [0,0,0,0,2,0|2,0,0]=4 266 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [0,0,0,0,2,0|2,0,0]=4 267 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,0,0,0,2,0|1,0,0]=3 268 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [0,0,0,0,2,0|2,0,0]=4 269 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,0,0,0,2,0|1,0,0]=3 270 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,0,0,0,2,0|2,0,0]=4 271 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,0,0,0,2,0|1,0,0]=3 272 B14R1.716 O=C(OC)CCOCC1=CC=CC=C1 AK-40960 [0,0,0,0,0,2|1,0,0]=3