0 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.45 O=C(O)CC[C@@H](N)C1=CC=CC=C1 AK174392 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.45 O=C(O)CN[C@@H](C1=CC=CC=C1)C AK160811 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.45 O=C(O)CN[C@H](C1=CC=CC=C1)C AK153106 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.149 NC1=CC=CC(CCCC(O)=O)=C1 AK-36873 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 AK116882 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.158 O=C(O)CCOC1=CC=CC=C1N AK155867 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 AK104968 [0,1,0,0,0,0|2,0,1]=4 20 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 21 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 22 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.351 O=C(O)C(N)CCC1=CC=CC=C1 AK-80198 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.351 O=C(O)[C@@H](N)CCC1=CC=CC=C1 AK-47396 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.351 O=C(O)[C@H](N)CCC1=CC=CC=C1 AK-44092 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.351 [C@H](O)(C(=O)O)CCC1=CC=CC=C1 AK-34569 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.513 C1=C(C=CC(=C1)O)CCCC(=O)O AK-25224 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.513 CC(NCCC1=CC=C(O)C=C1)=O AK106967 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 AK-81606 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.513 O=C(O)CCCC1=CC=C(C)C=C1 AK-92957 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 AK-38450 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 AK327765 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 AK162891 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.718 C1=CC=CC=C1NCCC(=O)OC AK-48038 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.718 O=C(OC)CNCC1=CC=CC=C1 AK-62852 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.718 O=C(OC)COCC1=CC=CC=C1 AK164941 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.3523 CS(=O)(OCCC1=CC=CC=C1)=O AK136320 [0,1,0,0,0,0|1,0,0]=2 38 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [0,0,0,1,0,0|1,0,0]=2 39 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 AK-28379 [0,0,0,1,0,0|2,0,1]=4 40 B13R2.10 O=C1OC[C@@H](C2=CC=CC=C2)N1 AK-68242 [0,0,0,1,0,0|1,0,0]=2 41 B13R2.10 [C@H]1(NC(OC1)=O)C2=CC=CC=C2 AK-47582 [0,0,0,1,0,0|1,0,0]=2 42 B13R2.72 C1=CC=CC2=C1C(=C[NH]2)C(C)=O AK-47338 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.72 CC(N1CCC2=C1C=CC=C2)=O AK-47012 [0,0,0,1,0,0|1,0,0]=2 44 B13R2.72 O=C(C1CCC2=C1C=CC=C2)O AK-39534 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.72 O=C([C@@H]1NCC2=C1C=CC=C2)O AK550278 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.72 O=C([C@H]1NCC2=C1C=CC=C2)O AK550292 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.163 C1=CC=CC2=C1NC(=O)CCC2 AK-25978 [0,0,0,1,0,0|2,0,0]=3 48 B13R2.163 O=C1CCCC2=CC=CN=C2N1 AK-87283 [0,0,0,1,0,0|3,0,0]=4 49 B13R2.163 O=C1NC2=CC=CC=C2NCC1 AK-45215 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.163 O=C1NCCC2=CC=CC=C2N1 AK551054 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.423 O=C(C1C(C2=NC=CC=C2)C1)O AK155239 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,0,0,1,0,0|2,0,0]=3 55 B11R1.91 CC(NCC1=CN=CN=C1)=O AK147247 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,0,0,0,1,0|0,0,2]=3 57 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,0,0,0,1,0|2,1,0]=4 58 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,0,0,0,1,0|1,0,0]=2 59 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,0,0,0,1,0|1,0,0]=2 60 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,0,0,0,1,0|1,0,0]=2 61 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [0,0,0,0,1,0|1,0,2]=4 62 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [0,0,0,0,1,0|1,0,2]=4 63 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,0,0,0,1,0|1,0,0]=2 64 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [0,0,0,0,1,0|3,0,0]=4 65 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [0,0,0,0,1,0|3,0,0]=4 66 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [0,0,0,0,1,0|1,0,2]=4 67 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,0,0,0,1,0|2,0,0]=3 68 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,0,0,0,1,0|2,0,1]=4 69 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,0,0,0,1,0|2,0,0]=3 70 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,0,0,0,1,0|3,0,0]=4 71 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [0,0,0,0,1,0|1,0,2]=4 72 B11R1.172 OC(=O)CCCC1=CC=CS1 AK-84520 [0,0,0,0,1,0|3,0,0]=4 73 B13R1.337 NC(OCCCC1=CC=CC=C1)=O AK545335 [0,0,0,0,0,1|1,0,0]=2 74 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [2,0,0,0,0,0|0,0,2]=4 75 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [2,0,0,0,0,0|1,0,1]=4 76 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [2,0,0,0,0,0|1,0,0]=3 82 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|0,0,0]=2 83 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [2,0,0,0,0,0|0,0,0]=2 85 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [2,0,0,0,0,0|0,0,2]=4 86 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|0,0,2]=4 87 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.30 O=CNCC(C1=CC=CC=C1)=O AK-93558 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [1,1,0,0,0,0|0,0,2]=4 93 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [0,1,0,0,1,0|1,0,0]=3 94 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,1,0,0,1,0|0,0,0]=2 95 B12R1.21 CC(NNC1=CC=C(Br)C=C1)=O AK668231 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [0,1,0,0,1,0|1,0,0]=3 98 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [0,1,0,0,1,0|1,0,0]=3 99 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [0,1,0,0,1,0|1,0,0]=3 100 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [0,1,0,0,1,0|2,0,0]=4 104 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [0,1,0,0,1,0|1,0,1]=4 105 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,1,0,0,1,0|1,0,0]=3 106 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,1,0,0,1,0|1,0,1]=4 107 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,0,0,1,0|0,0,0]=2 108 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [0,1,0,0,1,0|2,0,0]=4 109 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,1,0,0,1,0|1,0,0]=3 110 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [0,1,0,0,1,0|2,0,0]=4 111 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [0,1,0,0,1,0|2,0,0]=4 112 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,1,0,0,1,0|1,0,0]=3 113 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [0,1,0,0,1,0|2,0,0]=4 114 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [0,1,0,0,1,0|2,0,0]=4 115 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [0,1,0,0,1,0|2,0,0]=4 116 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [0,1,0,0,1,0|2,0,0]=4 117 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,1,0,0,1,0|1,0,0]=3 118 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,1,0,0,1,0|1,0,0]=3 119 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [0,1,0,0,1,0|2,0,0]=4 120 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,1,0,0,1,0|1,0,0]=3 121 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,1,0,0,1,0|1,0,0]=3 122 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,1,0,0,1,0|1,0,0]=3 123 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,1,0,0,1,0|0,0,1]=3 124 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,1,0,0,1,0|1,0,1]=4 125 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,1,0,0,1,0|0,0,0]=2 126 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,1,0,0,1,0|2,0,0]=4 127 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,1,0,0,1,0|1,0,0]=3 128 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [0,1,0,0,1,0|2,0,0]=4 129 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,1,0,0,1,0|1,0,0]=3 131 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,1,0,0,1,0|1,0,0]=3 133 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [0,1,0,0,1,0|2,0,0]=4 134 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [0,1,0,0,1,0|1,0,0]=3 135 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [0,1,0,0,1,0|1,0,0]=3 136 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [0,1,0,0,1,0|1,0,0]=3 137 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [0,1,0,0,1,0|1,0,0]=3 138 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [0,1,0,0,1,0|2,0,0]=4 139 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [0,1,0,0,1,0|1,0,0]=3 140 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [0,1,0,0,1,0|1,0,0]=3 141 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [0,1,0,0,1,0|1,0,0]=3 142 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [0,1,0,0,1,0|1,0,0]=3 143 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [0,1,0,0,1,0|2,0,0]=4 145 B12R1.891 C1(=CC=CC=C1)CC[S](=O)(=O)Cl AK-73134 [0,1,0,0,1,0|2,0,0]=4 146 B12R1.130 CC(=O)OCCC1=C(C)N=CS1 AK-89663 [0,1,0,0,1,0|2,0,0]=4 147 B14R1.420 O=C(O)CCC[C@@H](N)C1=CC=CC=C1 AK172691 [0,1,0,0,0,1|2,0,0]=4 148 B14R1.420 OC(=O)CCCC(=O)C1=CC=CC=C1 AK-81827 [0,1,0,0,0,1|2,0,0]=4 149 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 AK115273 [0,1,0,0,0,1|2,0,0]=4 150 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 AK112610 [0,1,0,0,0,1|2,0,0]=4 151 B14R1.716 O=C(OC)CCOCC1=CC=CC=C1 AK-40960 [0,1,0,0,0,1|1,0,0]=3 152 B14R1.6449 NC(CCCC1=CC=CC=C1)C(O)=O AK-89432 [0,1,0,0,0,1|2,0,0]=4 153 B14R1.6449 O=C(O)C(N)COCC1=CC=CC=C1 AK-93999 [0,1,0,0,0,1|2,0,0]=4 154 B14R1.6449 O=C(O)[C@@H](N)CCCC1=CC=CC=C1 AK114991 [0,1,0,0,0,1|2,0,0]=4 155 B14R1.6449 O=C(O)[C@@H](N)COCC1=CC=CC=C1 AK-77303 [0,1,0,0,0,1|2,0,0]=4 156 B14R1.6449 O=C(O)[C@@H](N)COCC1=CC=CC=C1 AK544805 [0,1,0,0,0,1|2,0,0]=4 157 B14R1.6449 O=C(O)[C@H](N)CSCC1=CC=CC=C1 AK-81245 [0,1,0,0,0,1|2,0,0]=4 158 B14R1.678 CC(OCC(C1=CC=C(Br)C=C1)=O)=O AK114718 [0,2,0,0,0,0|0,0,1]=3 159 B14R1.678 O=C(O)CCC(N)C1=CC=C(C)C=C1 AK172750 [0,2,0,0,0,0|2,0,0]=4 160 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK114880 [0,2,0,0,0,0|2,0,0]=4 161 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK341934 [0,2,0,0,0,0|2,0,0]=4 162 B14R1.337 O=C(O)C[C@H](N)CC1=CC=CC=C1C AK341933 [0,2,0,0,0,0|2,0,0]=4 163 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]=4 164 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AK-78922 [0,2,0,0,0,0|1,0,1]=4 165 B14R1.4 CCC1=CC=C(CCCC(O)=O)C=C1 AK-89005 [0,2,0,0,0,0|2,0,0]=4 166 B14R1.4 O=C(O)CCCC1=CC=C(OC)C=C1 AK-25988 [0,2,0,0,0,0|2,0,0]=4 167 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 AK109314 [0,2,0,0,0,0|1,0,0]=3 168 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 AK-26991 [0,2,0,0,0,0|2,0,0]=4 169 B14R1.520 O=C(OCC)NCCC1=CC=CC=C1 AK-47113 [0,2,0,0,0,0|1,0,0]=3 170 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [1,0,0,1,0,0|1,0,1]=4 171 B12R2.41 C12=CC=CC=C1CNCCC2 AK-36214 [1,0,0,1,0,0|2,0,0]=4 172 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [1,0,0,1,0,0|1,0,0]=3 173 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [1,0,0,1,0,0|1,0,1]=4 174 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [1,0,0,1,0,0|1,0,1]=4 175 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O AK-29412 [1,0,0,1,0,0|2,0,0]=4 176 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [1,0,0,1,0,0|1,0,0]=3 177 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [1,0,0,1,0,0|2,0,0]=4 178 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [1,0,0,1,0,0|2,0,0]=4 179 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [1,0,0,1,0,0|2,0,0]=4 180 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [1,0,0,1,0,0|2,0,0]=4 181 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AK119860 [1,0,0,1,0,0|2,0,0]=4 182 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [1,0,0,1,0,0|0,0,0]=2 183 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [0,0,0,1,1,0|1,0,1]=4 184 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,1,0|1,0,0]=3 185 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [0,0,0,1,1,0|2,0,0]=4 186 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [0,0,0,1,1,0|1,0,1]=4 187 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [0,0,0,1,1,0|1,0,1]=4 188 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [0,0,0,1,1,0|1,0,1]=4 189 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [0,0,0,1,1,0|1,0,1]=4 190 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,0,0,1,1,0|0,0,0]=2 191 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,0,0,1,1,0|1,0,0]=3 192 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,1,0|2,0,0]=4 193 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,0,0,1,1,0|0,0,2]=4 194 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AK-26329 [0,0,0,1,0,1|1,0,0]=3 195 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [0,0,0,1,0,1|0,0,0]=2 196 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [0,0,0,1,0,1|1,0,0]=3 197 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [0,0,0,1,0,1|1,0,0]=3 198 B14R2.21 C1(=CC=CC=C1)C2CC(CCO2)=O AK-33344 [0,0,0,1,0,1|1,0,0]=3 199 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AK-84674 [0,0,0,1,0,1|1,0,0]=3 200 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 AK-51101 [0,0,0,1,0,1|2,0,0]=4 201 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 AK-40561 [0,0,0,1,0,1|1,0,0]=3 202 B14R2.31359 C1(C2=CC=CC=C2CCC1)C(=O)O AK-27345 [0,0,0,1,0,1|2,0,0]=4 203 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 AK-34255 [0,0,0,1,0,1|2,0,0]=4 204 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 AK-48549 [0,0,0,1,0,1|2,0,0]=4 205 B14R2.31359 O=C([C@@H]1NCCC2=C1C=CC=C2)O AK-77642 [0,0,0,1,0,1|2,0,0]=4 206 B14R2.31359 O=C([C@H]1NCCC2=C1C=CC=C2)O AK142882 [0,0,0,1,0,1|2,0,0]=4 207 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 AK116639 [0,1,0,1,0,0|1,0,0]=3 208 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 AK-45360 [0,1,0,1,0,0|2,0,0]=4 209 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 AK143261 [0,1,0,1,0,0|0,0,0]=2 210 B14R2.25733 O=C1CN(C(C)=O)C2=C1C=CC=C2 AK-60518 [0,1,0,1,0,0|1,0,1]=4 211 B14R2.22 O=C1NCC(C2=CC=CC(Br)=C2)C1 AK-77912 [0,1,0,1,0,0|1,0,0]=3 212 B14R2.390 FC1=CC=CC2=C1NC(=O)CCC2 AK-56572 [0,1,0,1,0,0|2,0,0]=4 213 B14R2.4476 O=C(C1C(C2=CC=CC(Cl)=C2)C1)O AK167718 [0,1,0,1,0,0|2,0,0]=4 214 B14R2.768 OC(=O)CC1CC2=CC=CC=C2C1 AK-90079 [0,1,0,1,0,0|2,0,0]=4 215 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CC1 AK-35532 [0,1,0,1,0,0|2,0,0]=4 216 B14R2.781 OC(=O)C1CCC2=CC=CC=C2O1 AK-44050 [0,1,0,1,0,0|2,0,0]=4 217 B14R2.5443 O=C(C1C(C2=CC=CC=C2Cl)C1)O AK167717 [0,1,0,1,0,0|2,0,0]=4 218 B14R2.8032 CC(N1CCC2=C1C=CC=C2O)=O AK122799 [0,1,0,1,0,0|1,0,0]=3 219 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]=4 220 B14R2.741 O=C1C(Br)CCC2=CC=CC=C2N1 AK-23679 [0,1,0,1,0,0|2,0,0]=4 221 B14R2.20 ClC1=CC=C(C=C1)C2CCC(=O)N2 AK-40653 [0,1,0,1,0,0|2,0,0]=4 222 B14R2.20 O=C1NC(C2=CC=C(Br)C=C2)CC1 AK103149 [0,1,0,1,0,0|2,0,0]=4 223 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)C1 AK141612 [0,1,0,1,0,0|1,0,0]=3 224 B14R2.380 O=C1CCCC2=CC=C(N)C=C2N1 AK-44600 [0,1,0,1,0,0|2,0,0]=4 225 B14R2.4402 O=C(C1C(C2=CC=C(Cl)C=C2)C1)O AK122406 [0,1,0,1,0,0|2,0,0]=4 226 B14R2.4402 OC(=O)C1CC1C2=CC=C(Br)C=C2 AK-51693 [0,1,0,1,0,0|2,0,0]=4 227 B14R2.5816 O=C(C1CCC2=C1C=C(Br)C=C2)O AK145934 [0,1,0,1,0,0|2,0,0]=4 228 B14R2.5816 O=C(C1CCC2=C1C=C(Cl)C=C2)O AK-94424 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,2,0|1,0,0]=3 230 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [0,0,0,0,2,0|2,0,0]=4 231 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [0,0,0,0,2,0|2,0,0]=4 232 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [0,0,0,0,2,0|1,0,1]=4 233 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,2,0|1,0,0]=3 234 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,2,0|1,0,1]=4 235 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,2,0|2,0,0]=4 236 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,2,0|1,0,0]=3 237 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,0,0,0,2,0|2,0,0]=4 238 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [0,0,0,0,2,0|2,0,0]=4 239 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,0,0,0,2,0|2,0,0]=4 240 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [0,0,0,0,2,0|1,1,0]=4 241 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [0,0,0,0,2,0|1,0,0]=3 242 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,0,0,0,2,0|2,0,0]=4 243 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 AK-88667 [0,0,0,0,0,2|2,0,0]=4