0 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,0,0,0,0,0|0,0,2]=2 5 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.91 CC(NCC1=CN=CN=C1)=O AK147247 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [1,0,0,0,0,0|0,0,2]=3 15 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [1,0,0,0,0,0|0,0,2]=3 21 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,0,0,0,0,0|0,0,0]=1 22 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [1,0,0,0,0,0|0,0,2]=3 25 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [1,0,0,0,0,0|0,0,3]=4 32 B13R1.11 O=C(OC)CC(C1=NC=CC=C1)=O AK-50095 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.11 O=C(OC)CC(N)C1=NC=CC=C1 AK409737 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.11 O=C(OC)CN(C)C1=NC=CC=C1 AK134945 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104659 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104667 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.14 BrC1=CC=C(C=C1)CCC(=O)OC AK-39981 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.14 COC(=O)/C=C/C1=CC=C(O)C=C1 AK109487 [0,1,0,0,0,0|0,0,2]=3 39 B13R1.14 O=C(OC)CCC1=CC=C(I)C=C1 AK209542 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK-64364 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK175380 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.14 O=C(OC)CCC1=CC=C(O)C=C1 AK-35645 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.14 O=C(OC)CNC1=CC=C(O)C=C1 AK-88073 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.14 O=C(OC)\C=C\C1=CC=C(Br)C=C1 AK117162 [0,1,0,0,0,0|0,0,2]=3 45 B13R1.14 O=C(OC)\C=C\C1=CC=C(O)C=C1 AK-49067 [0,1,0,0,0,0|0,0,2]=3 46 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 AK-79037 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.15 O=C(OC)CCC1=CC=CC(Br)=C1 AK-83017 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.42 C(C)OC(COC1=CC=CN=C1)=O AK-37073 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.42 CCOC(=O)C=CC1=CC=NC=C1 AK-49599 [0,1,0,0,0,0|1,0,2]=4 50 B13R1.42 NCCC(OCC1=CC=CC=C1)=O AK-81294 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.42 O=C(NCC1=CC=CC=C1)CC#N AK305341 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C AK-86292 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O AK-44164 [0,1,0,0,0,0|0,0,0]=1 54 B13R1.135 O=C(OC)C(N)CC1=CC=CC=C1 AK-88496 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [0,1,0,0,0,0|0,0,0]=1 56 B13R1.135 O=C(OC)[C@H](N)CC1=CC=CC=C1 AK-44133 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.351 C1=CC=CC=C1COC(C(C)N)=O AK-41707 [0,1,0,0,0,0|2,0,0]=3 59 B13R1.351 C[C@@H](N)C(OCC1=CC=CC=C1)=O AK-49776 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.351 C[C@H](N)C(OCC1=CC=CC=C1)=O AK-49907 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.351 NN(C(OCC1=CC=CC=C1)=O)C AK-68379 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.528 COC(=O)CCC1=CC=CC=C1Br AK-48437 [0,1,0,0,0,0|0,0,0]=1 64 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [0,0,0,1,0,0|1,0,0]=2 65 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 AK-28379 [0,0,0,1,0,0|2,0,1]=4 66 B13R2.10 O=C1OC[C@@H](C2=CC=CC=C2)N1 AK-68242 [0,0,0,1,0,0|1,0,0]=2 67 B13R2.10 [C@H]1(NC(OC1)=O)C2=CC=CC=C2 AK-47582 [0,0,0,1,0,0|1,0,0]=2 68 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 AK110812 [0,0,0,1,0,0|1,0,2]=4 69 B13R2.57 COC1=CC2=CC=CC=C2N=C1 AK-39637 [0,0,0,1,0,0|2,0,1]=4 70 B13R2.57 COC1=NC2=CC=CC=C2C=C1 AK-94453 [0,0,0,1,0,0|1,0,2]=4 71 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [0,0,0,1,0,0|3,0,0]=4 72 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC AK163865 [0,0,0,1,0,0|0,0,0]=1 73 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [0,0,0,0,1,0|1,0,0]=2 74 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [0,0,0,0,1,0|2,0,1]=4 75 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,0,0,0,1,0|2,0,0]=3 76 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,0,0,0,1,0|2,0,0]=3 77 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,0,0,0,1,0|3,0,0]=4 78 B11R1.40 O=C(NN)CC1=CC=NC=C1 AK110454 [0,0,0,0,1,0|3,0,0]=4 79 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,0,0,1,0|0,0,0]=1 80 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [0,0,0,0,1,0|2,0,0]=3 81 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [0,0,0,0,1,0|2,0,0]=3 82 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,0,0,1,0|1,0,0]=2 83 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,0,0,0,1,0|3,0,0]=4 84 B13R1.718 C1=CC=CC=C1NCCC(=O)OC AK-48038 [0,0,0,0,0,1|0,0,0]=1 85 B13R1.718 O=C(OC)CNCC1=CC=CC=C1 AK-62852 [0,0,0,0,0,1|0,0,0]=1 86 B13R1.718 O=C(OC)COCC1=CC=CC=C1 AK164941 [0,0,0,0,0,1|0,0,0]=1 87 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [2,0,0,0,0,0|0,0,2]=4 88 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|0,0,0]=2 96 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [2,0,0,0,0,0|1,0,0]=3 97 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [2,0,0,0,0,0|0,0,2]=4 99 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|0,0,1]=3 100 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [2,0,0,0,0,0|1,0,1]=4 102 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.1 COCCOC1=CC=C(Br)C=C1 AK312402 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.1 COCCOC1=CC=C(N)C=C1 AK105500 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.28 COCCOC1=CC=CC(N)=C1 AK105501 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [1,1,0,0,0,0|0,0,2]=4 109 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [1,1,0,0,0,0|0,0,0]=2 110 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [1,1,0,0,0,0|0,0,0]=2 111 B12R1.21 CC(NNC1=CC=C(Br)C=C1)=O AK668231 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [1,1,0,0,0,0|0,0,2]=4 114 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [1,1,0,0,0,0|0,0,0]=2 117 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [1,1,0,0,0,0|0,0,2]=4 122 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [1,1,0,0,0,0|0,0,2]=4 123 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [1,1,0,0,0,0|0,0,0]=2 125 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [1,1,0,0,0,0|0,0,1]=3 126 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [1,1,0,0,0,0|0,0,0]=2 127 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [1,1,0,0,0,0|0,0,0]=2 129 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [1,1,0,0,0,0|0,0,0]=2 137 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [1,1,0,0,0,0|0,0,0]=2 138 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [1,1,0,0,0,0|0,0,2]=4 140 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [1,1,0,0,0,0|0,0,0]=2 141 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [1,1,0,0,0,0|0,0,0]=2 143 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [1,1,0,0,0,0|0,0,1]=3 144 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [1,1,0,0,0,0|0,0,0]=2 148 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.107 O=C(O)CN(C)C1=NC=CC=C1 AK132907 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [1,1,0,0,0,0|0,0,0]=2 151 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [1,1,0,0,0,0|0,0,0]=2 152 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [1,1,0,0,0,0|0,0,0]=2 153 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [1,1,0,0,0,0|0,0,0]=2 154 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [1,1,0,0,0,0|0,0,0]=2 156 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [1,1,0,0,0,0|1,0,0]=3 157 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [1,1,0,0,0,0|0,0,0]=2 158 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [1,1,0,0,0,0|0,0,0]=2 159 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [1,1,0,0,0,0|1,0,0]=3 160 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [1,1,0,0,0,0|0,0,2]=4 161 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [1,1,0,0,0,0|0,0,0]=2 162 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [1,1,0,0,0,0|0,0,0]=2 164 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [1,1,0,0,0,0|0,0,0]=2 165 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [1,1,0,0,0,0|0,0,0]=2 166 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [1,1,0,0,0,0|0,0,2]=4 167 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [1,1,0,0,0,0|0,0,2]=4 168 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [1,1,0,0,0,0|0,0,2]=4 169 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.891 C1(=CC=CC=C1)CC[S](=O)(=O)Cl AK-73134 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.108 N[C@@H](CC1=CNC=N1)C(OC)=O AK-50080 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,1,0,0,1,0|0,0,0]=2 173 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [0,1,0,0,1,0|0,0,1]=3 174 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,1,0,0,1,0|0,0,0]=2 175 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,1,0,0,1,0|0,0,0]=2 176 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,1,0,0,1,0|0,0,0]=2 177 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,1,0,0,1,0|0,0,0]=2 178 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,1,0,0,1,0|0,0,0]=2 179 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,1,0,0,1,0|0,0,0]=2 180 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,1,0,0,1,0|0,0,0]=2 181 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,1,0,0,1,0|0,0,0]=2 182 B12R1.49 COC(=O)CC1=NC=C(F)C=N1 AK100243 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,1,0,0,1,0|0,0,0]=2 184 B12R1.49 O=C(OC)CC1=CC=C(Cl)N=C1 AK137274 [0,1,0,0,1,0|1,0,0]=3 185 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,1,0,0,1,0|0,0,0]=2 186 B12R1.49 O=C(OC)CC1=NC=C(Br)C=C1 AK144847 [0,1,0,0,1,0|1,0,0]=3 187 B12R1.49 O=C(OC)CC1=NC=C(Br)C=N1 AK138238 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.50 O=C(OC)CC1=CC=CC(Br)=C1 AK-33399 [0,1,0,0,1,0|0,0,0]=2 189 B12R1.50 O=C(OC)CC1=CC=CC(F)=C1 AK161785 [0,1,0,0,1,0|0,0,0]=2 190 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-35502 [0,1,0,0,1,0|0,0,0]=2 191 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-86789 [0,1,0,0,1,0|0,0,0]=2 192 B12R1.50 O=C(OC)CC1=NC(Cl)=CC=C1 AK-63367 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 AK-39324 [0,1,0,0,1,0|0,0,0]=2 194 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 AK-76378 [0,1,0,0,1,0|0,0,0]=2 195 B12R1.371 O=C(OC)CC1=CC=CC=C1Br AK114701 [0,1,0,0,1,0|0,0,0]=2 196 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [0,1,0,0,1,0|0,0,0]=2 197 B12R1.371 O=C(OC)CC1=CC=CC=C1N AK133070 [0,1,0,0,1,0|0,0,0]=2 198 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 AK109314 [0,1,0,0,0,1|0,0,0]=2 199 B14R1.520 C(C)OC(CCNC1=NC=CC=C1)=O AK-31676 [0,1,0,0,0,1|1,0,0]=3 200 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 AK-26991 [0,1,0,0,0,1|0,0,0]=2 201 B14R1.520 O=C(OCC)NCCC1=CC=CC=C1 AK-47113 [0,1,0,0,0,1|0,0,0]=2 202 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AK-78922 [0,1,0,0,0,1|0,0,0]=2 203 B14R1.756 O=C(OC)C(\C=C\C1=CC=CC=C1)=O AK685036 [0,1,0,0,0,1|0,0,2]=4 204 B14R1.10 O=C(OC)C[C@H](N)C1=CC=C(Br)C=C1 AK172668 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.11 O=C(OC)C[C@@H](N)C1=CC=CC(Br)=C1 AK329847 [0,2,0,0,0,0|0,0,0]=2 206 B14R1.11 O=C(OC)C[C@@H](N)C1=CC=CC(O)=C1 AK607947 [0,2,0,0,0,0|0,0,0]=2 207 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 AK-43947 [0,2,0,0,0,0|0,0,0]=2 208 B14R1.29 O=C(OCC)CC(C1=CC=CC=C1)=O AK-72988 [0,2,0,0,0,0|0,0,1]=3 209 B14R1.29 O=C(OCC)CC(C1=CC=NC=C1)=O AK-23981 [0,2,0,0,0,0|1,0,1]=4 210 B14R1.29 O=C(OCC)CC(C1=NC=CC=C1)=O AK-39258 [0,2,0,0,0,0|1,0,1]=4 211 B14R1.29 O=C(OCC)CC(N)C1=CC=CN=C1 AK-82823 [0,2,0,0,0,0|1,0,0]=3 212 B14R1.29 O=C(OCC)CC(O)C1=CC=CC=C1 AK-82824 [0,2,0,0,0,0|0,0,0]=2 213 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 AK-60005 [0,2,0,0,0,0|0,0,0]=2 214 B14R1.85 COC([C@@H]([C@@H](N)C1=CC=CC=C1)O)=O AK-25364 [0,2,0,0,0,0|0,0,0]=2 215 B14R1.587 O=C(OC)CC(C1=CC=CC=C1Br)=O AK-41001 [0,2,0,0,0,0|0,0,1]=3 216 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 AK110041 [0,2,0,0,0,0|0,0,2]=4 217 B14R1.5 COC(\C=C\C1=CC=C(C=C1)CBr)=O AK-26461 [0,2,0,0,0,0|0,0,2]=4 218 B14R1.5 O=C(OC)COC1=CC=C(C=O)C=C1 AK-21868 [0,2,0,0,0,0|1,0,0]=3 219 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-44175 [0,2,0,0,0,0|0,0,0]=2 220 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-49703 [0,2,0,0,0,0|0,0,0]=2 221 B14R1.134 N[C@H](CC1=CC=C(Cl)C=C1)C(OC)=O AK-49701 [0,2,0,0,0,0|0,0,0]=2 222 B14R1.134 O=C(OC)C(N)CC1=CC=C(O)C=C1 AK115635 [0,2,0,0,0,0|0,0,0]=2 223 B14R1.134 O=C(OC)[C@@H](N)CC1=CC=C(Br)C=C1 AK117108 [0,2,0,0,0,0|0,0,0]=2 224 B14R1.134 O=C(OC)[C@@H](N)CC1=NC=C(C)C=C1 AK172764 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.134 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)OC AK-49737 [0,2,0,0,0,0|0,0,0]=2 226 B14R1.293 CNS(=O)(=O)CCC1=CC=C(N)C=C1 AK-25288 [0,2,0,0,0,0|2,0,0]=4 227 B14R1.502 BrC1=CC=C(C=C1)CCC(=O)OCC AK-35074 [0,2,0,0,0,0|0,0,0]=2 228 B14R1.502 CCOC(=O)/C=C/C1=CC=C(O)C=C1 AK104398 [0,2,0,0,0,0|0,0,2]=4 229 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AK-72737 [0,2,0,0,0,0|0,0,0]=2 230 B14R1.502 O=C(OCC)C#CC1=CC=C(Cl)C=C1 AK156093 [0,2,0,0,0,0|0,0,2]=4 231 B14R1.502 O=C(OCC)\C=C\C1=CC=C(Br)C=C1 AK112240 [0,2,0,0,0,0|0,0,2]=4 232 B14R1.727 O=C(OC)CCC1=CC=C(O)C=C1O AK-88895 [0,2,0,0,0,0|0,0,0]=2 233 B14R1.32 O=C(OCC)CNC1=CC=CC(Br)=C1 AK312747 [0,2,0,0,0,0|1,0,0]=3 234 B14R1.135 O=C(OC)C(O)CC1=CC=CC(O)=C1 AK187423 [0,2,0,0,0,0|0,0,0]=2 235 B14R1.135 O=C(OC)[C@@H](N)CC1=CC=CC(O)=C1 AK130675 [0,2,0,0,0,0|0,0,0]=2 236 B14R1.60 N[C@@H](CC1=CC=CC=C1)C(OCC)=O AK-46035 [0,2,0,0,0,0|0,0,0]=2 237 B14R1.60 O=C(OCC)C(N)CC1=CC=CC=C1 AK544810 [0,2,0,0,0,0|0,0,0]=2 238 B14R1.156 BrCCNC(=O)OCC1=CC=CC=C1 AK-41250 [0,2,0,0,0,0|2,0,0]=4 239 B14R1.156 O=C(OCC1=CC=CC=C1)CCCBr AK116323 [0,2,0,0,0,0|2,0,0]=4 240 B14R1.156 O=C(OCC1=CC=CC=C1)CCCN AK-87747 [0,2,0,0,0,0|2,0,0]=4 241 B14R1.156 O=C(OCC1=CC=CC=C1)NCCN AK-43139 [0,2,0,0,0,0|2,0,0]=4 242 B14R1.156 O=C(OCC1=CC=CC=C1)NCCO AK-90111 [0,2,0,0,0,0|2,0,0]=4 243 B14R1.156 O=C(OCC=C)\C=C\C1=CC=CC=C1 AK114249 [0,2,0,0,0,0|0,0,2]=4 244 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 AK-47819 [0,2,0,0,0,0|0,0,0]=2 245 B14R1.598 O=C(OCC)COC1=CC=CC=C1O AK-97218 [0,2,0,0,0,0|1,0,0]=3 246 B14R1.1031 [C@@H](CC1=CC=CC=C1)(NC)C(=O)OC AK-88953 [0,2,0,0,0,0|0,0,0]=2 247 B14R1.1107 O=C(OC)C(C)(N)CC1=CC=CC=C1 AK162596 [0,2,0,0,0,0|0,0,0]=2 248 B14R1.3099 C1=CC=CC=C1CNC(C(C)(C)Br)=O AK-64924 [0,2,0,0,0,0|2,0,0]=4 249 B14R1.3099 CC(C)(O)C(OCC1=CC=CC=C1)=O AK-85827 [0,2,0,0,0,0|2,0,0]=4 250 B14R1.863 C(=O)C1=C(OCC(=O)OC)C=CC=C1 AK-21928 [0,2,0,0,0,0|1,0,0]=3 251 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [1,0,0,1,0,0|1,0,1]=4 252 B12R2.41 C12=CC=CC=C1CNCCC2 AK-36214 [1,0,0,1,0,0|1,0,1]=4 253 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [1,0,0,1,0,0|2,0,0]=4 255 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [1,0,0,1,0,0|1,0,1]=4 256 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [1,0,0,1,0,0|1,0,0]=3 257 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [1,0,0,1,0,0|2,0,0]=4 258 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [1,0,0,1,0,0|1,0,1]=4 259 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [1,0,0,1,0,0|1,0,1]=4 260 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [1,0,0,1,0,0|1,0,1]=4 261 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [1,0,0,1,0,0|1,0,1]=4 262 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [1,0,0,1,0,0|1,0,0]=3 263 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [1,0,0,1,0,0|1,0,0]=3 264 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [1,0,0,1,0,0|2,0,0]=4 265 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [1,0,0,1,0,0|0,0,2]=4 266 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [0,0,0,1,1,0|2,0,0]=4 267 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AK-26329 [0,0,0,1,0,1|1,0,0]=3 268 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [0,0,0,1,0,1|0,0,0]=2 269 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [0,0,0,1,0,1|0,0,0]=2 270 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [0,0,0,1,0,1|0,0,0]=2 271 B14R2.68 N1=CC=C(C=C1)N2CCC(CC2)=O AK-39834 [0,0,0,1,0,1|2,0,0]=4 272 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 AK116639 [0,0,0,1,0,1|1,0,0]=3 273 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 AK-45360 [0,0,0,1,0,1|1,0,0]=3 274 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 AK143261 [0,0,0,1,0,1|0,0,0]=2 275 B14R2.95 COC(=O)C1=N[NH]C2=CC=CC=C12 AK-25967 [0,0,0,1,0,1|1,0,1]=4 276 B14R2.95 O=C(C1=CNC2=C1C=CC=C2)OC AK-47146 [0,0,0,1,0,1|0,0,2]=4 277 B14R2.21 C1(=CC=CC=C1)C2CC(CCO2)=O AK-33344 [0,1,0,1,0,0|1,0,0]=3 278 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AK-84674 [0,1,0,1,0,0|1,0,0]=3 279 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 AK-51101 [0,1,0,1,0,0|2,0,0]=4 280 B14R2.20 ClC1=CC=C(C=C1)C2CCC(=O)N2 AK-40653 [0,1,0,1,0,0|2,0,0]=4 281 B14R2.20 O=C1NC(C2=CC=C(Br)C=C2)CC1 AK103149 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)C1 AK141612 [0,1,0,1,0,0|1,0,0]=3 283 B14R2.22 O=C1NCC(C2=CC=CC(Br)=C2)C1 AK-77912 [0,1,0,1,0,0|1,0,0]=3 284 B14R2.29369 O=C1N(C)C2=C(C=C(Cl)C=C2)NC1 AK138292 [0,1,0,1,0,0|2,0,0]=4 285 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 AK-60022 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC AK-86776 [0,1,0,1,0,0|1,0,1]=4 287 B14R2.972 O=C(C1=NC2=CC=CC=C2O1)OC AK-31638 [0,1,0,1,0,0|1,0,1]=4 288 B14R2.972 O=C(C=1NC2=C(C1)C=CC=C2)OC AK-81488 [0,1,0,1,0,0|0,0,2]=4 289 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,0,0,0,1,0|1,0,0]=3 290 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [1,0,0,0,1,0|1,0,0]=3 291 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [1,0,0,0,1,0|1,0,0]=3 292 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,0,0,0,1,0|1,0,0]=3 293 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,0,0,0,1,0|1,0,1]=4 294 B10R1.18 N1=CN=CC(=C1)CC(=O)O AK-32588 [1,0,0,0,1,0|2,0,0]=4 295 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,0,0,0,1,0|2,0,0]=4 296 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,0,0,0,1,0|1,0,0]=3 297 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [1,0,0,0,1,0|2,0,0]=4 298 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [1,0,0,0,1,0|1,0,0]=3 299 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [1,0,0,0,1,0|2,0,0]=4 300 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [1,0,0,0,1,0|1,0,0]=3 301 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [1,0,0,0,1,0|2,0,0]=4 302 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [1,0,0,0,1,0|1,0,0]=3 303 B10R1.66 O=C(O)CCC1=NC=CN1 AK-33774 [1,0,0,0,1,0|2,0,0]=4 304 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [0,0,0,0,2,0|1,0,0]=3 305 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [0,0,0,0,2,0|1,0,0]=3 306 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [0,0,0,0,2,0|1,0,0]=3 307 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [0,0,0,0,2,0|2,0,0]=4 308 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [0,0,0,0,2,0|2,0,0]=4 309 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,0,0,0,2,0|2,0,0]=4 310 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [0,0,0,0,2,0|2,0,0]=4 311 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [0,0,0,0,2,0|2,0,0]=4 312 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,0,0,0,2,0|1,0,0]=3 313 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,0,0,0,2,0|1,0,0]=3 314 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,0,0,0,2,0|2,0,0]=4 315 B14R1.716 O=C(OC)CCOCC1=CC=CC=C1 AK-40960 [0,0,0,0,0,2|0,0,0]=2