0 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.21 CC(NNC1=CC=C(Br)C=C1)=O AK668231 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.21 O=[N+](\C=C\C1=CC=C(C)C=C1)[O-] AK142090 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.1 CC1=CC=C(OCCO)C=C1 AK187911 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.1 O=C\C=C\C1=CC=C(C)C=C1 AK101325 [1,0,0,0,0,0|0,0,2]=3 27 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 AK128976 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK131808 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK316818 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.91 CC(NCC1=CN=CN=C1)=O AK147247 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [1,0,0,0,0,0|0,0,2]=3 34 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [1,0,0,0,0,0|1,0,2]=4 49 B13R1.3 C(#N)C1=CC=C(C=C1)CCC(=O)O AK-45844 [0,1,0,0,0,0|1,0,1]=3 50 B13R1.3 COC1=CC=C(C=CC(O)=O)C=C1 AK-98686 [0,1,0,0,0,0|1,0,2]=4 51 B13R1.3 O=C(N)NCC1=CC=C(OC)C=C1 AK124246 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.3 O=C(O)C#CC1=CC=C(OC)C=C1 AK-98790 [0,1,0,0,0,0|1,0,2]=4 53 B13R1.3 O=C(O)CCC1=CC=C(OC)C=C1 AK-88471 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 AK-49065 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.3 O=C(O)COC1=CC=C(C=O)C=C1 AK306098 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 AK-45551 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.3 O=C(O)COC1=CC=C(OC)C=C1 AK140534 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.3 O=C(O)\C=C\C1=CC=C(SC)C=C1 AK305277 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.14 BrC1=CC=C(C=C1)CCC(=O)OC AK-39981 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.14 COC(=O)/C=C/C1=CC=C(O)C=C1 AK109487 [0,1,0,0,0,0|1,0,2]=4 61 B13R1.14 O=C(OC)CCC1=CC=C(I)C=C1 AK209542 [0,1,0,0,0,0|1,0,0]=2 62 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK-64364 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK175380 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.14 O=C(OC)CCC1=CC=C(O)C=C1 AK-35645 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.14 O=C(OC)CNC1=CC=C(O)C=C1 AK-88073 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.14 O=C(OC)\C=C\C1=CC=C(Br)C=C1 AK117162 [0,1,0,0,0,0|1,0,2]=4 67 B13R1.14 O=C(OC)\C=C\C1=CC=C(O)C=C1 AK-49067 [0,1,0,0,0,0|1,0,2]=4 68 B13R1.132 O=C(O)CC(N)C1=CC=C(Br)C=C1 AK-44663 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.132 O=C(O)CC(N)C1=CC=C(C)C=C1 AK-44082 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.132 O=C(O)CC(N)C1=CC=C(Cl)C=C1 AK-47545 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.132 O=C(O)CC(N)C1=CC=C(F)C=C1 AK-39870 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.133 CC1=CC=C(CC(N)C(O)=O)C=C1 AK-35255 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(O)=O AK111064 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.133 FC1=CC=C(C[C@H](N)C(=O)O)C=C1 AK-25301 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(O)=O AK-49382 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(O)=O AK-80383 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(O)=O AK-93419 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(O)=O AK-49989 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.133 N[C@H](CC1=CC=C(C)C=C1)C(O)=O AK-81259 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(O)=O AK-49327 [0,1,0,0,0,0|2,0,0]=3 81 B13R1.133 O=C(N)[C@@H](N)CC1=CC=C(O)C=C1 AK117102 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.133 O=C(O)C(N)CC1=CC=C(O)C=C1 AK-81253 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Br)C=C1 AK-75929 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(C)N=C1 AK668447 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Cl)C=C1 AK-81361 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 AK139122 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(N)C=C1 AK-42598 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(O)C=C1 AK-62832 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.133 O=C(O)[C@@H](N)CC1=NC=C(Br)C=C1 AK608004 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(F)C=C1 AK-42471 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(N)C=C1 AK106107 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(O)C=C1 AK-49908 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.133 [C@H](N)(CC1=CC=C(C)C=C1)C(O)=O AK-81281 [0,1,0,0,0,0|1,0,0]=2 94 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O AK-48062 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.164 CC(=O)NCC1=C(N)N=C(C)N=C1 AK111495 [0,1,0,0,0,0|3,0,0]=4 96 B13R1.164 O=C(O)CCC1=CC=C(Br)C=C1F AK-94712 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Br AK-45825 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl AK-45828 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O AK112329 [0,1,0,0,0,0|2,0,0]=3 100 B13R1.164 O=C([O-])COC1=CC=C(Cl)C=C1Cl AK116603 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.164 OC(=O)CCC1=C(F)C=C(Cl)C=C1 AK-63830 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.511 O=C(O)CCC1=CC=C(Br)C(F)=C1 AK548708 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.511 O=C(O)CCC1=CC=C(C)C(C)=C1 AK130343 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 AK-34356 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 AK-40959 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.511 O=C(O)CCC1=CC=C(F)C(Br)=C1 AK548710 [0,1,0,0,0,0|2,0,0]=3 107 B13R2.155 BrC1=CC2=C(C=C1)OCC(N2)=O AK-26843 [0,0,0,1,0,0|3,0,0]=4 108 B13R2.155 ClC1=CC=C2C(=C1)NC(CC2)=O AK-73121 [0,0,0,1,0,0|2,0,0]=3 109 B13R2.155 ClC1=CC=C2OCC(=O)CC2=C1 AK-96205 [0,0,0,1,0,0|2,0,0]=3 110 B13R2.155 NC1=CC2=C(OCC(=O)N2)C=C1 AK-30183 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 AK-47672 [0,0,0,1,0,0|2,0,0]=3 112 B13R2.155 NC1CC2=C(C=CC(Br)=C2)CC1 AK153200 [0,0,0,1,0,0|2,0,1]=4 113 B13R2.155 NC1CC2=C(C=CC(F)=C2)CC1 AK-63418 [0,0,0,1,0,0|2,0,1]=4 114 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)CC1 AK-76136 [0,0,0,1,0,0|2,0,0]=3 115 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)CN1 AK-50472 [0,0,0,1,0,0|3,0,0]=4 116 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)NC1 AK141930 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.155 O=C1NC2=C(C=CC(F)=C2)CC1 AK-76139 [0,0,0,1,0,0|2,0,0]=3 118 B13R2.155 OC1=CC=C2C(=C1)CC(CC2)=O AK-27129 [0,0,0,1,0,0|1,0,0]=2 119 B13R2.155 OC1=CC=C2C(=C1)NC(CC2)=O AK-51661 [0,0,0,1,0,0|2,0,0]=3 120 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,0,0,0,1,0|3,0,0]=4 121 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [0,0,0,0,1,0|2,0,0]=3 122 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,0,0,0,1,0|1,0,0]=2 123 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [0,0,0,0,1,0|2,0,0]=3 124 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [0,0,0,0,1,0|1,0,0]=2 125 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.20 CC(NC1=CC=C(O)N=C1)=O AK152813 [0,0,0,0,1,0|3,0,0]=4 127 B11R1.20 CC(NC1=NC=C(Br)C=C1)=O AK-32386 [0,0,0,0,1,0|3,0,0]=4 128 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [0,0,0,0,1,0|3,0,0]=4 130 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [0,0,0,0,1,0|3,0,0]=4 131 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [0,0,0,0,1,0|2,0,0]=3 132 B11R1.20 O=C(N)CC1=NC=C(Br)C=C1 AK141365 [0,0,0,0,1,0|3,0,0]=4 133 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,0,0,0,1,0|1,0,0]=2 134 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 AK-48828 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [0,0,0,0,1,0|2,0,0]=3 136 B11R1.20 O=C(O)CC1=CC=C(N)N=C1 AK112112 [0,0,0,0,1,0|3,0,0]=4 137 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,0,0,0,1,0|2,0,0]=3 138 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [0,0,0,0,1,0|2,0,0]=3 140 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [0,0,0,0,1,0|2,0,0]=3 141 B11R1.20 S=C(N)NC1=CC=C(C)C=C1 AK161770 [0,0,0,0,1,0|2,1,0]=4 142 B13R1.513 C1=C(C=CC(=C1)O)CCCC(=O)O AK-25224 [0,0,0,0,0,1|2,0,0]=3 143 B13R1.513 CC(NCCC1=CC=C(O)C=C1)=O AK106967 [0,0,0,0,0,1|1,0,0]=2 144 B13R1.513 CC1=CC=C(OCCN(C)C)C=C1 AK165493 [0,0,0,0,0,1|2,0,0]=3 145 B13R1.513 FC1=CC=C(OCCN(C)C)C=C1 AK164175 [0,0,0,0,0,1|3,0,0]=4 146 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 AK-81606 [0,0,0,0,0,1|2,0,0]=3 147 B13R1.513 O=C(O)CCCC1=CC=C(C)C=C1 AK-92957 [0,0,0,0,0,1|1,0,0]=2 148 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 AK-38450 [0,0,0,0,0,1|2,0,0]=3 149 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 AK327765 [0,0,0,0,0,1|2,0,0]=3 150 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 AK162891 [0,0,0,0,0,1|2,0,0]=3 151 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [2,0,0,0,0,0|1,0,1]=4 158 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [2,0,0,0,0,0|1,0,1]=4 179 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [2,0,0,0,0,0|0,0,2]=4 180 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [2,0,0,0,0,0|1,0,1]=4 182 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [2,0,0,0,0,0|1,0,1]=4 183 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|0,0,0]=2 188 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [2,0,0,0,0,0|0,0,2]=4 191 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|0,0,2]=4 192 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.1 COCCOC1=CC=C(Br)C=C1 AK312402 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.1 COCCOC1=CC=C(N)C=C1 AK105500 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.1 NC1=CC=C(OCCCC)C=C1 AK-51310 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.1 OC1=CC=C(OCCCC)C=C1 AK114215 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.16 C=CC[C@H](C1=CC=C(F)C=C1)N AK172736 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 AK-80516 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.69 OC1=CC=C(CCCC)C(O)=C1 AK-81459 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.71 C(CCC)C1=CC=C(C=C1)C#C AK-47214 [1,1,0,0,0,0|0,0,2]=4 203 B12R1.71 CCNCC1=CC=C(OC)C=C1 AK-44604 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.71 O=CNCC1=CC=C(OC)C=C1 AK201126 [1,1,0,0,0,0|1,0,0]=3 205 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [1,1,0,0,0,0|0,0,0]=2 206 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [1,1,0,0,0,0|0,0,0]=2 208 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [1,1,0,0,0,0|1,0,0]=3 209 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [1,1,0,0,0,0|0,0,2]=4 210 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [1,1,0,0,0,0|2,0,0]=4 215 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]=4 216 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [1,1,0,0,0,0|1,0,0]=3 217 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [1,1,0,0,0,0|1,0,1]=4 218 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [1,1,0,0,0,0|0,0,0]=2 219 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [1,1,0,0,0,0|0,0,1]=3 235 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.891 C1(=CC=CC=C1)CC[S](=O)(=O)Cl AK-73134 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [0,1,0,0,1,0|0,0,0]=2 258 B12R1.4 C1=CC(=CC=C1OC)CC(O)=O AK-47564 [0,1,0,0,1,0|1,0,0]=3 259 B12R1.4 CC(NC1=CC=C(C#N)C=C1)=O AK-80147 [0,1,0,0,1,0|1,0,1]=4 260 B12R1.4 CC(NC1=CC=C(C=O)C=C1)=O AK-46288 [0,1,0,0,1,0|1,0,1]=4 261 B12R1.4 CC(NC1=CC=C(CN)C=C1)=O AK144131 [0,1,0,0,1,0|1,0,0]=3 262 B12R1.4 CC(OC1=CC=C(CBr)C=C1)=O AK146329 [0,1,0,0,1,0|1,0,0]=3 263 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 AK161945 [0,1,0,0,1,0|2,0,0]=4 264 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 AK-59632 [0,1,0,0,1,0|1,0,1]=4 265 B12R1.4 O=C(O)CC1=CC=C(CN)C=C1 AK-93749 [0,1,0,0,1,0|1,0,0]=3 266 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 AK135016 [0,1,0,0,1,0|1,0,0]=3 267 B12R1.4 O=C(O)CC1=CC=C(SC)C=C1 AK-45539 [0,1,0,0,1,0|1,0,0]=3 268 B12R1.19 BrC1=C(C=C(C=C1)CC(=O)O)F AK-36941 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.19 BrC1=C(C=CC(=C1)CC(=O)O)F AK-33922 [0,1,0,0,1,0|2,0,0]=4 270 B12R1.19 C1=C(C=CC(=C1Cl)Cl)CC(O)=O AK-47326 [0,1,0,0,1,0|2,0,0]=4 271 B12R1.19 C1=C(C=CC(=C1Cl)O)NC(C)=O AK-39312 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.19 CC(NC1=CC=C(O)C(C)=C1)=O AK147875 [0,1,0,0,1,0|2,0,0]=4 273 B12R1.19 CC1=C(F)C=C(CC(O)=O)C=C1 AK-34427 [0,1,0,0,1,0|1,0,0]=3 274 B12R1.19 NC1=C(F)C=C(CC(O)=O)C=C1 AK-35348 [0,1,0,0,1,0|2,0,0]=4 275 B12R1.19 O=C(O)CC1=CC=C(Br)C(C)=C1 AK-94397 [0,1,0,0,1,0|2,0,0]=4 276 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Br)=C1 AK119698 [0,1,0,0,1,0|2,0,0]=4 277 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 AK-39619 [0,1,0,0,1,0|2,0,0]=4 278 B12R1.19 O=C(O)CC1=CC=C(N)C(C)=C1 AK151433 [0,1,0,0,1,0|2,0,0]=4 279 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 AK-35250 [0,1,0,0,1,0|2,0,0]=4 280 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 AK-45471 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.19 OC(=O)CC1=CC(Br)=C(O)C=C1 AK-34961 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.19 OC(=O)CC1=CC(F)=C(F)C=C1 AK-41956 [0,1,0,0,1,0|2,0,0]=4 283 B12R1.20 CC(C1=CC=C(C)C=C1)C(O)=O AK-36931 [0,1,0,0,1,0|1,0,0]=3 284 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br AK-36176 [0,1,0,0,1,0|2,0,0]=4 285 B12R1.20 NC(C(O)=O)C1=CC=C(O)C=C1 AK-44146 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.20 O=C(O)C(N)C1=CC=C(C)C=C1 AK-44517 [0,1,0,0,1,0|1,0,0]=3 287 B12R1.20 O=C(O)C(N)C1=CC=C(Cl)C=C1 AK-47447 [0,1,0,0,1,0|2,0,0]=4 288 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 AK-88708 [0,1,0,0,1,0|2,0,0]=4 289 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(Cl)C=C1 AK-45149 [0,1,0,0,1,0|2,0,0]=4 290 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(F)C=C1 AK-33958 [0,1,0,0,1,0|2,0,0]=4 291 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(O)C=C1 AK-28583 [0,1,0,0,1,0|2,0,0]=4 292 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O AK-87117 [0,1,0,0,1,0|2,0,0]=4 293 B12R1.20 O=C(O)[C@H](N)C1=CC=C(Cl)C=C1 AK-44673 [0,1,0,0,1,0|2,0,0]=4 294 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-45454 [0,1,0,0,1,0|2,0,0]=4 295 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-50779 [0,1,0,0,1,0|2,0,0]=4 296 B12R1.20 O=C(O)[C@H](N)C1=CC=C(N)C=C1 AK484894 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.20 O=C(O)[C@H](N)C1=CC=C(O)C=C1 AK-76523 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.20 OC(C([O-])=O)C1=CC=C(O)C=C1 AK104635 [0,1,0,0,1,0|2,0,0]=4 299 B12R1.106 O=S(CC1=CC=C(C)C=C1)(Cl)=O AK-86322 [0,1,0,0,1,0|2,0,0]=4 300 B12R1.233 BrC1=C(C=CC(=C1)F)CC(=O)O AK-35843 [0,1,0,0,1,0|2,0,0]=4 301 B12R1.233 C1=C(C(=CC=C1Cl)CC(O)=O)Cl AK-46751 [0,1,0,0,1,0|2,0,0]=4 302 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 AK101124 [0,1,0,0,1,0|1,0,0]=3 303 B12R1.233 CC(NC1=CC=C(Br)C=C1Cl)=O AK499528 [0,1,0,0,1,0|2,0,0]=4 304 B12R1.233 CC1=CC(F)=C(CC(O)=O)C=C1 AK-35440 [0,1,0,0,1,0|1,0,0]=3 305 B12R1.233 FC1=C(C=CC(=C1)O)CC(=O)O AK-36113 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1Cl AK-94393 [0,1,0,0,1,0|2,0,0]=4 307 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1F AK-29792 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Br AK-35501 [0,1,0,0,1,0|2,0,0]=4 309 B12R1.233 O=C(O)CC1=CC=C(F)C=C1C AK-37488 [0,1,0,0,1,0|2,0,0]=4 310 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl AK-33766 [0,1,0,0,1,0|2,0,0]=4 311 B12R1.233 OC(=O)CC1=C(F)C=C(Cl)C=C1 AK-46377 [0,1,0,0,1,0|2,0,0]=4 312 B14R1.4 CCC1=CC=C(CCCC(O)=O)C=C1 AK-89005 [0,1,0,0,0,1|1,0,0]=3 313 B14R1.4 CCC1=CC=C(OCCN(C)C)C=C1 AK165494 [0,1,0,0,0,1|2,0,0]=4 314 B14R1.4 CN(C)CCOC1=CC=C(CN)C=C1 AK-82486 [0,1,0,0,0,1|2,0,0]=4 315 B14R1.4 COC1=CC=C(OCCC(O)=O)C=C1 AK-83323 [0,1,0,0,0,1|1,0,0]=3 316 B14R1.4 O=C(O)CCCC1=CC=C(OC)C=C1 AK-25988 [0,1,0,0,0,1|1,0,0]=3 317 B14R1.4 O=C(O)CNCC1=CC=C(OC)C=C1 AK105733 [0,1,0,0,0,1|1,0,0]=3 318 B14R1.4 O=C(O)COCC1=CC=C(OC)C=C1 AK112640 [0,1,0,0,0,1|1,0,0]=3 319 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 AK109314 [0,1,0,0,0,1|1,0,0]=3 320 B14R1.678 CC(OCC(C1=CC=C(Br)C=C1)=O)=O AK114718 [0,1,0,0,0,1|1,0,1]=4 321 B14R1.678 O=C(O)CCC(C1=CC=C(Br)C=C1)=O AK-38438 [0,1,0,0,0,1|2,0,0]=4 322 B14R1.678 O=C(O)CCC(C1=CC=C(C)C=C1)=O AK-84377 [0,1,0,0,0,1|1,0,0]=3 323 B14R1.678 O=C(O)CCC(N)C1=CC=C(C)C=C1 AK172750 [0,1,0,0,0,1|1,0,0]=3 324 B14R1.2 O=C(O)CC(N)C1=CC=C(OC)C=C1 AK-43943 [0,2,0,0,0,0|1,0,0]=3 325 B14R1.2 O=C(O)C[C@@H](N)C1=CC=C(C#N)C=C1 AK115422 [0,2,0,0,0,0|1,0,1]=4 326 B14R1.2 O=C(O)C[C@H](N)C1=CC=C(C#N)C=C1 AK-90403 [0,2,0,0,0,0|1,0,1]=4 327 B14R1.3 CC(OC1=CC=C(OC)C=C1)C(O)=O AK-88556 [0,2,0,0,0,0|2,0,0]=4 328 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(C#N)C=C1 AK-63293 [0,2,0,0,0,0|1,0,1]=4 329 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(C=C)C=C1 AK172743 [0,2,0,0,0,0|1,0,1]=4 330 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(OC)C=C1 AK-46463 [0,2,0,0,0,0|1,0,0]=3 331 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(OC)C=C1 AK141180 [0,2,0,0,0,0|1,0,0]=3 332 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 AK110041 [0,2,0,0,0,0|0,0,2]=4 333 B14R1.5 COC(\C=C\C1=CC=C(C=C1)CBr)=O AK-26461 [0,2,0,0,0,0|0,0,2]=4 334 B14R1.5 O=C(OC)COC1=CC=C(C=O)C=C1 AK-21868 [0,2,0,0,0,0|1,0,1]=4 335 B14R1.419 CC(\C=C\C1=CC=C(N(C)C)C=C1)=O AK-89568 [0,2,0,0,0,0|0,0,2]=4 336 B14R1.419 O=C(O)CCC1=CC=C([N+]([O-])=O)C=C1 AK-45805 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.10 O=C(OC)C[C@H](N)C1=CC=C(Br)C=C1 AK172668 [0,2,0,0,0,0|1,0,0]=3 338 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-44175 [0,2,0,0,0,0|1,0,0]=3 339 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-49703 [0,2,0,0,0,0|1,0,0]=3 340 B14R1.134 N[C@H](CC1=CC=C(Cl)C=C1)C(OC)=O AK-49701 [0,2,0,0,0,0|1,0,0]=3 341 B14R1.134 O=C(OC)C(N)CC1=CC=C(O)C=C1 AK115635 [0,2,0,0,0,0|1,0,0]=3 342 B14R1.134 O=C(OC)[C@@H](N)CC1=CC=C(Br)C=C1 AK117108 [0,2,0,0,0,0|1,0,0]=3 343 B14R1.134 O=C(OC)[C@@H](N)CC1=NC=C(C)C=C1 AK172764 [0,2,0,0,0,0|1,0,0]=3 344 B14R1.134 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)OC AK-49737 [0,2,0,0,0,0|1,0,0]=3 345 B14R1.293 CNS(=O)(=O)CCC1=CC=C(N)C=C1 AK-25288 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.502 BrC1=CC=C(C=C1)CCC(=O)OCC AK-35074 [0,2,0,0,0,0|1,0,0]=3 347 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AK-72737 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.727 O=C(OC)CCC1=CC=C(O)C=C1O AK-88895 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.685 O=C(O)CC(N)C1=CC=C(Br)C(F)=C1 AK608034 [0,2,0,0,0,0|2,0,0]=4 350 B14R1.685 O=C(O)C[C@@H](N)C1=CC=C(C)C(C)=C1 AK608044 [0,2,0,0,0,0|1,0,0]=3 351 B14R1.685 O=C(O)C[C@@H](N)C1=CC=C(Cl)C(Cl)=C1 AK687517 [0,2,0,0,0,0|2,0,0]=4 352 B14R1.1019 O=C(O)C[C@H](C1=CC=C(Cl)C=C1)CN AK109161 [0,2,0,0,0,0|2,0,0]=4 353 B14R1.1019 O=C(O)C[C@H](C1=CC=C(F)C=C1)CN AK-87533 [0,2,0,0,0,0|2,0,0]=4 354 B14R1.686 C1=CC(=C(C=C1C[C@H](C(=O)O)N)Cl)Cl AK-73133 [0,2,0,0,0,0|2,0,0]=4 355 B14R1.686 NC(CC1=CC(Br)=C(O)C=C1)C(O)=O AK109449 [0,2,0,0,0,0|2,0,0]=4 356 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(F)C(F)=C1 AK106117 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(Cl)=C1 AK-50086 [0,2,0,0,0,0|2,0,0]=4 358 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(I)=C1 AK-86417 [0,2,0,0,0,0|2,0,0]=4 359 B14R1.686 O=C(O)[C@H](N)CC1=CC=C(O)C(I)=C1 AK167399 [0,2,0,0,0,0|2,0,0]=4 360 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 AK119798 [0,2,0,0,0,0|2,0,0]=4 361 B14R1.686 O=C([O-])C(O)CC1=CC=C(O)C(O)=C1 AK310631 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.686 [C@@H](N)(C(O)=O)CC1=CC(=C(C=C1)Cl)Cl AK-73069 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.686 [C@H](N)(CC1=CC(Br)=C(O)C=C1)C(O)=O AK-82171 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.6049 ClC1=C(C[C@@H](N)C(=O)O)C=CC(=C1)Cl AK-25306 [0,2,0,0,0,0|2,0,0]=4 365 B14R1.6049 NC(CC1=CC=C(F)C=C1F)C(O)=O AK-87820 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.6049 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1F AK110930 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.6049 O=C(O)[C@H](N)CC1=CC=C(F)C=C1F AK-87819 [0,2,0,0,0,0|2,0,0]=4 368 B14R1.7626 O=C(O)C(C)(N)CC1=CC=C(O)C=C1 AK129847 [0,2,0,0,0,0|2,0,0]=4 369 B14R1.42 O=C(O)CCC1=CC=C(O)C(OC)=C1 AK113150 [0,2,0,0,0,0|2,0,0]=4 370 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 AK-30489 [1,0,0,1,0,0|2,0,0]=4 371 B12R2.24 BrC1=CC2=C(CCCC2)C=C1 AK105097 [1,0,0,1,0,0|1,0,1]=4 372 B12R2.24 BrC1=CC=C2CCOCC2=C1 AK-87302 [1,0,0,1,0,0|2,0,0]=4 373 B12R2.24 C1=C(O)C=C2C(=C1)CCCC2 AK-47633 [1,0,0,1,0,0|1,0,1]=4 374 B12R2.24 CC1=CC2=C(C=C1)CCCN2 AK-44791 [1,0,0,1,0,0|1,0,1]=4 375 B12R2.24 CC1=CC2=C(CCCC2)C=C1 AK-61038 [1,0,0,1,0,0|0,0,1]=3 376 B12R2.24 CC1=CC=C2C(=C1)CNCC2 AK-27238 [1,0,0,1,0,0|1,0,0]=3 377 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 AK-36483 [1,0,0,1,0,0|2,0,0]=4 378 B12R2.24 NC1=CC2=C(C=C1)CCNC2 AK-68791 [1,0,0,1,0,0|2,0,0]=4 379 B12R2.132 BrC1=CC2=C(C=C1)OCC2=O AK-28271 [1,0,0,1,0,0|2,0,0]=4 380 B12R2.132 C1=CC(=CC2=C1CCC2=O)Br AK-26732 [1,0,0,1,0,0|1,0,0]=3 381 B12R2.132 C1=CC2=C(C(OC2)=O)C=C1Br AK-33925 [1,0,0,1,0,0|2,0,0]=4 382 B12R2.132 ClC1=CC=C2C(=C1)C(CC2)=O AK-29868 [1,0,0,1,0,0|1,0,0]=3 383 B12R2.132 FC1=CC=C2COC(=O)C2=C1 AK-80844 [1,0,0,1,0,0|2,0,0]=4 384 B12R2.132 IC1=CC=C2COC(=O)C2=C1 AK-35552 [1,0,0,1,0,0|2,0,0]=4 385 B12R2.132 O=C1CCC2=C1C=C(C)C=C2 AK-34324 [1,0,0,1,0,0|0,0,0]=2 386 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 AK-28079 [1,0,0,1,0,0|1,0,0]=3 387 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 AK-35907 [1,0,0,1,0,0|1,0,0]=3 388 B12R2.132 O=C1CCC2=NC=C(Br)C=C21 AK315376 [1,0,0,1,0,0|2,0,0]=4 389 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 AK-41679 [1,0,0,1,0,0|2,0,0]=4 390 B12R2.132 O=C1NCC2=C1C=C(N)C=C2 AK-43743 [1,0,0,1,0,0|2,0,0]=4 391 B12R2.132 O=C1OCC2=C1C=C(C)C=C2 AK316681 [1,0,0,1,0,0|1,0,0]=3 392 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [1,0,0,1,0,0|1,0,1]=4 393 B12R2.606 BrC1=CC=C2CC(=O)CC2=C1 AK-32489 [0,0,0,1,1,0|1,0,0]=3 394 B12R2.606 C1=C([NH]C2=CC=C(C=C12)C)C AK-32967 [0,0,0,1,1,0|2,0,0]=4 395 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 AK154493 [0,0,0,1,1,0|1,0,0]=3 396 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)C1 AK-39225 [0,0,0,1,1,0|2,0,0]=4 397 B12R2.606 O=C1NC2=C(C=C(F)C=C2)C1 AK-23028 [0,0,0,1,1,0|2,0,0]=4 398 B12R2.606 O=C1NC2=C(C=C(N)C=C2)C1 AK-37753 [0,0,0,1,1,0|2,0,0]=4 399 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)C1 AK-26491 [0,0,0,1,1,0|2,0,0]=4 400 B12R2.606 O=C1NC2=C(C=CC(C)=C2)C1 AK-79359 [0,0,0,1,1,0|1,0,0]=3 401 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)C1 AK-29404 [0,0,0,1,1,0|2,0,0]=4 402 B12R2.606 O=C1NC2=C(C=CC(N)=C2)C1 AK-28791 [0,0,0,1,1,0|2,0,0]=4 403 B12R2.606 O=C1NC2=CC=C(C)C=C2N1 AK-92933 [0,0,0,1,1,0|2,0,0]=4 404 B14R2.20 ClC1=CC=C(C=C1)C2CCC(=O)N2 AK-40653 [0,0,0,1,0,1|2,0,0]=4 405 B14R2.20 O=C1NC(C2=CC=C(Br)C=C2)CC1 AK103149 [0,0,0,1,0,1|2,0,0]=4 406 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)C1 AK141612 [0,0,0,1,0,1|1,0,0]=3 407 B14R2.380 O=C1CCCC2=CC=C(N)C=C2N1 AK-44600 [0,0,0,1,0,1|2,0,0]=4 408 B14R2.4402 O=C(C1C(C2=CC=C(Cl)C=C2)C1)O AK122406 [0,0,0,1,0,1|2,0,0]=4 409 B14R2.4402 OC(=O)C1CC1C2=CC=C(Br)C=C2 AK-51693 [0,0,0,1,0,1|2,0,0]=4 410 B14R2.5816 O=C(C1CCC2=C1C=C(Br)C=C2)O AK145934 [0,0,0,1,0,1|2,0,0]=4 411 B14R2.5816 O=C(C1CCC2=C1C=C(Cl)C=C2)O AK-94424 [0,0,0,1,0,1|2,0,0]=4 412 B14R2.134 COC1=CC2=C(C=C1)C=NC(=O)C2 AK-89477 [0,1,0,1,0,0|1,0,1]=4 413 B14R2.134 COC1=CC2=C(CCC(N)C2)C=C1 AK-95500 [0,1,0,1,0,0|1,0,1]=4 414 B14R2.134 O=C1CC2=C(C=CC(OC)=C2)CC1 AK-25949 [0,1,0,1,0,0|0,0,0]=2 415 B14R2.134 O=C1NC2=C(C=CC(OC)=C2)CC1 AK-76141 [0,1,0,1,0,0|1,0,0]=3 416 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,0,0,0,1,0|1,0,0]=3 417 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [1,0,0,0,1,0|2,0,0]=4 418 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [1,0,0,0,1,0|2,0,0]=4 419 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,0,0,0,1,0|1,0,0]=3 420 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,0,0,0,1,0|1,0,1]=4 421 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,0,0,0,1,0|2,0,0]=4 422 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,0,0,0,1,0|1,0,0]=3 423 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [1,0,0,0,1,0|2,0,0]=4 424 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [1,0,0,0,1,0|2,0,0]=4 425 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [1,0,0,0,1,0|2,0,0]=4 426 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [1,0,0,0,1,0|2,0,0]=4 427 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [1,0,0,0,1,0|2,0,0]=4 428 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [0,0,0,0,2,0|2,0,0]=4 429 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,0,0,0,2,0|1,0,0]=3 430 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [0,0,0,0,2,0|1,0,0]=3 431 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [0,0,0,0,2,0|2,0,0]=4 432 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [0,0,0,0,2,0|2,0,0]=4 433 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [0,0,0,0,2,0|2,0,0]=4 434 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [0,0,0,0,2,0|2,0,0]=4 435 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [0,0,0,0,2,0|2,0,0]=4 436 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [0,0,0,0,2,0|2,0,0]=4 437 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [0,0,0,0,2,0|1,0,0]=3 438 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,0,0,0,2,0|0,0,0]=2 439 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [0,0,0,0,2,0|2,0,0]=4 440 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [0,0,0,0,2,0|1,0,0]=3 441 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [0,0,0,0,2,0|1,0,0]=3 442 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [0,0,0,0,2,0|2,0,0]=4 443 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,0,0,0,2,0|2,0,0]=4 444 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,0,0,0,2,0|2,0,0]=4 445 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,0,0,0,2,0|2,0,0]=4 446 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [0,0,0,0,2,0|2,0,0]=4 447 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [0,0,0,0,2,0|2,0,0]=4 448 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [0,0,0,0,2,0|2,0,0]=4 449 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [0,0,0,0,2,0|1,0,1]=4 450 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [0,0,0,0,2,0|2,0,0]=4 451 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [0,0,0,0,2,0|2,0,0]=4 452 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [0,0,0,0,2,0|2,0,0]=4 453 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [0,0,0,0,2,0|1,0,0]=3 454 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [0,0,0,0,2,0|2,0,0]=4 455 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [0,0,0,0,2,0|2,0,0]=4 456 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [0,0,0,0,2,0|2,0,0]=4 457 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [0,0,0,0,2,0|2,0,0]=4 458 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [0,0,0,0,2,0|2,0,0]=4 459 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [0,0,0,0,2,0|2,0,0]=4 460 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [0,0,0,0,2,0|2,0,0]=4 461 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [0,0,0,0,2,0|2,0,0]=4 462 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [0,0,0,0,2,0|2,0,0]=4 463 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [0,0,0,0,2,0|2,0,0]=4 464 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [0,0,0,0,2,0|2,0,0]=4 465 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [1,0,0,0,0,1|2,0,0]=4 466 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [1,0,0,0,0,1|1,0,0]=3 467 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [1,0,0,0,0,1|1,0,0]=3 468 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [1,0,0,0,0,1|2,0,0]=4 469 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [1,0,0,0,0,1|1,0,0]=3 470 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [1,0,0,0,0,1|1,0,0]=3 471 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [1,0,0,0,0,1|1,0,0]=3 472 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [1,0,0,0,0,1|1,0,0]=3 473 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [1,0,0,0,0,1|1,0,0]=3 474 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 AK115273 [0,0,0,0,0,2|2,0,0]=4 475 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 AK112610 [0,0,0,0,0,2|2,0,0]=4