0 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,0,0,0,0,0|0,0,2]=2 14 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,0,0,0,0,0|1,0,1]=2 15 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,0,0,0,0,0|1,0,1]=2 17 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,0,0,0,0,0|0,0,2]=2 18 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.40 O=C(NN)CC1=CC=NC=C1 AK110454 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [1,0,0,0,0,0|0,0,2]=3 38 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,0,0,0,0,0|0,0,1]=2 39 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [1,0,0,0,0,0|0,0,1]=2 42 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [1,0,0,0,0,0|1,0,2]=4 46 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [1,0,0,0,0,0|0,0,2]=3 49 B11R1.91 [O-][N+](=O)/C=C/C1=CC=CC=C1 AK111240 [1,0,0,0,0,0|1,0,2]=4 50 B13R1.133 CC1=CC=C(CC(N)C(O)=O)C=C1 AK-35255 [0,1,0,0,0,0|1,0,1]=3 51 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(O)=O AK111064 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.133 FC1=CC=C(C[C@H](N)C(=O)O)C=C1 AK-25301 [0,1,0,0,0,0|1,0,1]=3 53 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(O)=O AK-49382 [0,1,0,0,0,0|1,0,1]=3 54 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(O)=O AK-80383 [0,1,0,0,0,0|1,0,1]=3 55 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(O)=O AK-93419 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(O)=O AK-49989 [0,1,0,0,0,0|1,0,1]=3 57 B13R1.133 N[C@H](CC1=CC=C(C)C=C1)C(O)=O AK-81259 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(O)=O AK-49327 [0,1,0,0,0,0|1,0,1]=3 59 B13R1.133 O=C(N)[C@@H](N)CC1=CC=C(O)C=C1 AK117102 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.133 O=C(O)C(N)CC1=CC=C(O)C=C1 AK-81253 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.133 O=C(O)C(NC1=NC=C(Cl)C=C1)=O AK171307 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Br)C=C1 AK-75929 [0,1,0,0,0,0|1,0,1]=3 63 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(C)N=C1 AK668447 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Cl)C=C1 AK-81361 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 AK139122 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(N)C=C1 AK-42598 [0,1,0,0,0,0|1,0,1]=3 67 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(O)C=C1 AK-62832 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.133 O=C(O)[C@@H](N)CC1=NC=C(Br)C=C1 AK608004 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(F)C=C1 AK-42471 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(N)C=C1 AK106107 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(O)C=C1 AK-49908 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.133 [C@H](N)(CC1=CC=C(C)C=C1)C(O)=O AK-81281 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O AK-48062 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O AK-44164 [0,1,0,0,0,0|1,0,1]=3 75 B13R1.135 O=C(OC)C(N)CC1=CC=CC=C1 AK-88496 [0,1,0,0,0,0|1,0,1]=3 76 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [0,1,0,0,0,0|0,0,2]=3 77 B13R1.135 O=C(OC)[C@H](N)CC1=CC=CC=C1 AK-44133 [0,1,0,0,0,0|1,0,1]=3 78 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [0,1,0,0,0,0|0,0,2]=3 79 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(O)=O AK-49664 [0,1,0,0,0,0|1,0,1]=3 80 B13R1.148 NC(CC1=CC(F)=CC=C1)C(O)=O AK-80309 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.148 N[C@@H](CC1=CC=CC(C)=C1)C(O)=O AK-41282 [0,1,0,0,0,0|1,0,1]=3 82 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(O)=O AK-45521 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.148 O=C(O)C(N)CC1=CC=CC(C)=C1 AK-89323 [0,1,0,0,0,0|1,0,1]=3 84 B13R1.148 O=C(O)C(N)CC1=CC=CC(O)=C1 AK-50979 [0,1,0,0,0,0|1,0,1]=3 85 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Br)=C1 AK-77026 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Cl)=C1 AK-50137 [0,1,0,0,0,0|1,0,1]=3 87 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Cl)=C1 AK-93785 [0,1,0,0,0,0|1,0,1]=3 88 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(N)=C1 AK325880 [0,1,0,0,0,0|1,0,1]=3 89 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(O)=C1 AK-86473 [0,1,0,0,0,0|1,0,1]=3 90 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Br)=C1 AK-94768 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Cl)=C1 AK162592 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.148 [C@H](N)(CC1=CC=CC(F)=C1)C(O)=O AK-81280 [0,1,0,0,0,0|1,0,1]=3 93 B13R1.152 CC(C1=CC=CC=C1)C(N)C(O)=O AK-36440 [0,1,0,0,0,0|1,0,1]=3 94 B13R1.202 C1=C(C(=CC=C1)Cl)CC(C(O)=O)N AK-59197 [0,1,0,0,0,0|1,0,1]=3 95 B13R1.202 N[C@H](CC1=CC=CC=C1Cl)C(O)=O AK-44107 [0,1,0,0,0,0|1,0,1]=3 96 B13R1.202 O=C(O)C(N)CC1=CC=CC=C1Br AK-80271 [0,1,0,0,0,0|1,0,1]=3 97 B13R1.202 O=C(O)C(N)CC1=CC=CC=C1C AK-89321 [0,1,0,0,0,0|1,0,1]=3 98 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Br AK-89325 [0,1,0,0,0,0|1,0,1]=3 99 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Cl AK109418 [0,1,0,0,0,0|1,0,1]=3 100 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1O AK172674 [0,1,0,0,0,0|1,0,1]=3 101 B13R1.202 O=C(O)[C@H](N)CC1=CC=CC=C1Br AK-95498 [0,1,0,0,0,0|1,0,1]=3 102 B13R1.202 O=C(O)[C@H](N)CC1=CC=CC=C1C AK109372 [0,1,0,0,0,0|1,0,1]=3 103 B13R1.202 [C@@H](N)(CC1=C(F)C=CC=C1)C(O)=O AK-26481 [0,1,0,0,0,0|1,0,1]=3 104 B13R1.202 [C@H](N)(CC1=C(F)C=CC=C1)C(O)=O AK-81279 [0,1,0,0,0,0|1,0,1]=3 105 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O AK-40093 [0,1,0,0,0,0|1,0,1]=3 106 B13R1.1073 CC(OC1=CC=CC=C1)(C)C(O)=O AK-96821 [0,1,0,0,0,0|2,0,1]=4 107 B13R1.1073 O=C(O)C(C)(C)CC1=CC=CC=C1 AK-86266 [0,1,0,0,0,0|1,0,1]=3 108 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O AK-96652 [0,0,0,1,0,0|2,0,1]=4 109 B13R2.369 O=C1NC2=C(C=CC=C2)CC1N AK-27578 [0,0,0,1,0,0|2,0,1]=4 110 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O AK-45516 [0,0,0,1,0,0|2,0,0]=3 111 B13R2.369 OC1=CC2=C(C=CC=C2)N=C1Cl AK-82046 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [0,0,0,1,0,0|1,0,2]=4 113 B13R2.423 O=C(C1C(C2=NC=CC=C2)C1)O AK155239 [0,0,0,1,0,0|2,0,1]=4 114 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,0,0,1,0,0|1,0,1]=3 115 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,0,0,1,0,0|1,0,1]=3 116 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,0,0,1,0,0|1,0,1]=3 117 B13R2.435 C1=C(C(C)=O)SC2=C1C=CC=C2 AK-47399 [0,0,0,1,0,0|1,1,1]=4 118 B13R2.435 C1=C(C(O)=O)OC2=C1C=CC=C2 AK-29301 [0,0,0,1,0,0|0,0,2]=3 119 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O AK-27807 [0,0,0,1,0,0|2,0,0]=3 120 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O AK106395 [0,0,0,1,0,0|3,0,0]=4 121 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 AK-89515 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.435 O1C2=C(N=C1C(C)=O)C=CC=C2 AK-31935 [0,0,0,1,0,0|2,0,1]=4 123 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O AK161700 [0,0,0,1,0,0|1,1,1]=4 124 B13R2.435 O=C(C1=CC2=NC=CC=C2N1)O AK-68312 [0,0,0,1,0,0|2,0,1]=4 125 B13R2.435 O=C(C1=CN2C=CC=CC2=N1)O AK-30092 [0,0,0,1,0,0|2,0,1]=4 126 B13R2.435 O=C(C1NC2=C(C=CC=C2)C1)O AK-57170 [0,0,0,1,0,0|1,0,1]=3 127 B13R2.435 O=C(C1OC2=CC=CC=C2C1)O AK-30285 [0,0,0,1,0,0|0,0,2]=3 128 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [0,0,0,1,0,0|2,0,1]=4 129 B13R2.435 O=C(C=1NC2=C(C1)C=NC=C2)O AK-49014 [0,0,0,1,0,0|2,0,1]=4 130 B13R2.435 O=C(C=1OC2=C(C1)C=CN=C2)O AK135360 [0,0,0,1,0,0|1,0,2]=4 131 B13R2.435 OC(=O)C1=CC2=CC=CC=C2N1 AK-46085 [0,0,0,1,0,0|1,0,1]=3 132 B13R2.435 OC(=O)C1=CC2=CC=CC=C2S1 AK-27833 [0,0,0,1,0,0|0,1,1]=3 133 B13R2.435 S1C2=C(N=C1C(=O)O)C=CC=C2 AK-40963 [0,0,0,1,0,0|1,1,0]=3 134 B13R2.435 [NH]1C2=NC=CC=C2C=C1C(=O)O AK-27984 [0,0,0,1,0,0|2,0,1]=4 135 B11R1.35 O=C(O)[C@@H](N)CC1=CC=CS1 AK-91723 [0,0,0,0,1,0|2,0,1]=4 136 B11R1.35 O=C(O)[C@H](N)CC1=CC=CO1 AK112811 [0,0,0,0,1,0|2,0,1]=4 137 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,0,0,0,1,0|1,0,1]=3 138 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,0,0,0,1,0|1,0,1]=3 139 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,0,0,0,1,0|0,0,2]=3 140 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,0,0,0,1,0|1,0,0]=2 141 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,0,0,0,1,0|1,0,1]=3 142 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,0,0,0,1,0|1,0,1]=3 143 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,0,0,0,1,0|2,0,1]=4 144 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [0,0,0,0,1,0|2,0,1]=4 145 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,0,0,0,1,0|1,0,2]=4 146 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,0,0,0,1,0|2,0,1]=4 147 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,0,0,0,1,0|1,0,1]=3 148 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,0,0,0,1,0|1,0,1]=3 149 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,0,0,0,1,0|1,0,1]=3 150 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,0,0,0,1,0|1,0,1]=3 151 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,0,0,0,1,0|1,0,1]=3 152 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,0,0,0,1,0|0,0,2]=3 153 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,0,0,0,1,0|0,0,2]=3 154 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 AK104968 [0,0,0,0,0,1|2,0,0]=3 155 B13R1.348 CC(C)CC(CC1=CC=CC=C1)=O AK115092 [0,0,0,0,0,1|2,0,1]=4 156 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-44152 [0,0,0,0,0,1|1,0,1]=3 157 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-77790 [0,0,0,0,0,1|1,0,1]=3 158 B13R1.351 C1=CC=CC=C1COC(C(C)N)=O AK-41707 [0,0,0,0,0,1|2,0,1]=4 159 B13R1.351 C[C@@H](N)C(OCC1=CC=CC=C1)=O AK-49776 [0,0,0,0,0,1|2,0,1]=4 160 B13R1.351 C[C@H](N)C(OCC1=CC=CC=C1)=O AK-49907 [0,0,0,0,0,1|2,0,1]=4 161 B13R1.351 NN(C(OCC1=CC=CC=C1)=O)C AK-68379 [0,0,0,0,0,1|3,0,0]=4 162 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,0,0,0,0,1|0,0,0]=1 163 B13R1.351 O=C(O)C(N)CCC1=CC=CC=C1 AK-80198 [0,0,0,0,0,1|1,0,1]=3 164 B13R1.351 O=C(O)[C@@H](N)CCC1=CC=CC=C1 AK-47396 [0,0,0,0,0,1|1,0,1]=3 165 B13R1.351 O=C(O)[C@H](N)CCC1=CC=CC=C1 AK-44092 [0,0,0,0,0,1|1,0,1]=3 166 B13R1.351 [C@H](O)(C(=O)O)CCC1=CC=CC=C1 AK-34569 [0,0,0,0,0,1|0,0,2]=3 167 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [2,0,0,0,0,0|0,0,2]=4 168 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|0,0,1]=3 169 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [2,0,0,0,0,0|0,0,1]=3 172 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|0,0,2]=4 173 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [2,0,0,0,0,0|1,0,1]=4 177 B10R1.18 N1=CN=CC(=C1)CC(=O)O AK-32588 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [2,0,0,0,0,0|1,0,0]=3 182 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [2,0,0,0,0,0|1,0,0]=3 184 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.50 C=CC(NC1=CC=CC(N)=C1)=O AK319023 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.50 C=CC(NC1=CC=CC(O)=C1)=O AK548287 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.50 O=C(OC)CC1=CC=CC(Br)=C1 AK-33399 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.50 O=C(OC)CC1=CC=CC(F)=C1 AK161785 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-35502 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-86789 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 AK-39324 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 AK-76378 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.371 O=C(OC)CC1=CC=CC=C1Br AK114701 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.371 O=C(OC)CC1=CC=CC=C1N AK133070 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [1,1,0,0,0,0|0,0,1]=3 209 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [1,1,0,0,0,0|0,0,1]=3 210 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [1,1,0,0,0,0|0,0,2]=4 212 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [1,1,0,0,0,0|0,0,1]=3 213 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [1,1,0,0,0,0|0,0,1]=3 214 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [1,1,0,0,0,0|0,0,1]=3 215 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [1,1,0,0,0,0|1,0,1]=4 216 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [1,1,0,0,0,0|1,0,1]=4 218 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 AK-86690 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [1,1,0,0,0,0|0,0,1]=3 220 B12R1.21 OC(=O)C=CC1=CC=C(Br)N=C1 AK-80564 [1,1,0,0,0,0|1,0,1]=4 221 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [1,1,0,0,0,0|0,0,1]=3 222 B12R1.21 OC(=O)C=CC1=NC=C(F)C=C1 AK103268 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [1,1,0,0,0,0|0,0,1]=3 224 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [1,1,0,0,0,0|1,0,1]=4 227 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [1,1,0,0,0,0|0,0,1]=3 228 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [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|0,0,1]=3 234 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [1,1,0,0,0,0|0,0,1]=3 237 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [1,1,0,0,0,0|0,0,1]=3 239 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [1,1,0,0,0,0|0,0,1]=3 240 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [1,1,0,0,0,0|0,0,1]=3 241 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [1,1,0,0,0,0|0,0,1]=3 242 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [1,1,0,0,0,0|0,0,1]=3 244 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [1,1,0,0,0,0|0,0,1]=3 246 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [1,1,0,0,0,0|0,0,1]=3 247 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [1,1,0,0,0,0|0,0,1]=3 249 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [1,1,0,0,0,0|0,0,1]=3 250 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [1,1,0,0,0,0|0,0,1]=3 251 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [1,1,0,0,0,0|0,0,1]=3 252 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [1,1,0,0,0,0|0,0,1]=3 253 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [1,1,0,0,0,0|0,0,1]=3 254 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [1,1,0,0,0,0|0,0,1]=3 255 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [1,1,0,0,0,0|0,0,1]=3 256 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [1,1,0,0,0,0|0,0,1]=3 257 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.20 C1=C(C(C(O)O)=O)C=CC(=C1)Br AK-10006 [0,1,0,0,1,0|0,0,2]=4 259 B12R1.20 CC(C1=CC=C(C)C=C1)C(O)=O AK-36931 [0,1,0,0,1,0|1,0,1]=4 260 B12R1.20 CC1=CC=C(C=C1)C(=O)C(O)O AK-10007 [0,1,0,0,1,0|0,0,2]=4 261 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br AK-36176 [0,1,0,0,1,0|1,0,1]=4 262 B12R1.20 NC(C(O)=O)C1=CC=C(O)C=C1 AK-44146 [0,1,0,0,1,0|1,0,1]=4 263 B12R1.20 O=C(O)C(N)C1=CC=C(C)C=C1 AK-44517 [0,1,0,0,1,0|1,0,1]=4 264 B12R1.20 O=C(O)C(N)C1=CC=C(Cl)C=C1 AK-47447 [0,1,0,0,1,0|1,0,1]=4 265 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 AK-88708 [0,1,0,0,1,0|0,0,2]=4 266 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(Cl)C=C1 AK-45149 [0,1,0,0,1,0|1,0,1]=4 267 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(F)C=C1 AK-33958 [0,1,0,0,1,0|1,0,1]=4 268 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(O)C=C1 AK-28583 [0,1,0,0,1,0|1,0,1]=4 269 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O AK-87117 [0,1,0,0,1,0|0,0,2]=4 270 B12R1.20 O=C(O)[C@H](N)C1=CC=C(Cl)C=C1 AK-44673 [0,1,0,0,1,0|1,0,1]=4 271 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-45454 [0,1,0,0,1,0|1,0,1]=4 272 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-50779 [0,1,0,0,1,0|1,0,1]=4 273 B12R1.20 O=C(O)[C@H](N)C1=CC=C(N)C=C1 AK484894 [0,1,0,0,1,0|1,0,1]=4 274 B12R1.20 O=C(O)[C@H](N)C1=CC=C(O)C=C1 AK-76523 [0,1,0,0,1,0|1,0,1]=4 275 B12R1.124 C1=C(C(C(O)=O)O)C(=CC=C1)Cl AK-46625 [0,1,0,0,1,0|0,0,2]=4 276 B12R1.124 CC(C1=CC=CC=C1Cl)C(O)=O AK-45775 [0,1,0,0,1,0|1,0,1]=4 277 B12R1.124 NC1=C(C=CC=C1)C(=O)C([O-])=O AK-80636 [0,1,0,0,1,0|0,0,1]=3 278 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl AK-87599 [0,1,0,0,1,0|1,0,1]=4 279 B12R1.124 O=C(O)C(N)C1=CC=CC=C1Cl AK-42317 [0,1,0,0,1,0|1,0,1]=4 280 B12R1.124 O=C(O)C(N)C1=CC=CC=C1O AK-72570 [0,1,0,0,1,0|1,0,1]=4 281 B12R1.124 O=C(O)[C@H](C1=CC=CC=C1Cl)O AK-81923 [0,1,0,0,1,0|0,0,2]=4 282 B12R1.124 O=C(O)[C@H](N)C1=CC=CC=C1O AK199193 [0,1,0,0,1,0|1,0,1]=4 283 B12R1.124 OC(=O)C(=O)C1=CC=CC=C1Br AK102568 [0,1,0,0,1,0|0,0,0]=2 284 B12R1.225 CC(C(O)=O)C1=CC=CC(Cl)=C1 AK-59290 [0,1,0,0,1,0|1,0,1]=4 285 B12R1.225 O=C(O)C(C1=CC=CC(Br)=C1)=O AK143405 [0,1,0,0,1,0|0,0,0]=2 286 B12R1.225 O=C(O)C(N)C1=CC=CC(Br)=C1 AK-94158 [0,1,0,0,1,0|1,0,1]=4 287 B12R1.225 O=C(O)C(N)C1=CC=CC(Cl)=C1 AK-45445 [0,1,0,0,1,0|1,0,1]=4 288 B12R1.225 O=C(O)C(N)C1=CC=CC(N)=C1 AK158805 [0,1,0,0,1,0|1,0,1]=4 289 B12R1.225 O=C(O)[C@H](N)C1=CC=CC(Cl)=C1 AK167541 [0,1,0,0,1,0|1,0,1]=4 290 B12R1.253 CC(C1=CC=CC=C1)(C)C(O)=O AK-36476 [0,1,0,0,1,0|1,0,1]=4 291 B12R1.478 O=C(O)C(C1=CC=CC=C1)CO AK-90070 [0,1,0,0,1,0|0,0,2]=4 292 B12R1.564 CC(C)(O)C(C1=CC=CC=C1)=O AK-98815 [0,1,0,0,1,0|1,0,1]=4 293 B14R1.337 O=C(O)C[C@H](N)CC1=CC=CC=C1C AK341933 [0,1,0,0,0,1|1,0,1]=4 294 B14R1.425 [C@@H](N)(CC1=CC=CC=C1)[C@H](O)C(O)=O AK-44017 [0,1,0,0,0,1|1,0,1]=4 295 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AK-78922 [0,1,0,0,0,1|0,0,0]=2 296 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK114880 [0,1,0,0,0,1|1,0,1]=4 297 B14R1.5978 O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1 AK341934 [0,1,0,0,0,1|1,0,1]=4 298 B14R1.756 N[C@@H](CO)C(OCC1=CC=CC=C1)=O AK-41494 [0,1,0,0,0,1|1,0,1]=4 299 B14R1.756 N[C@H](CO)C(OCC1=CC=CC=C1)=O AK-49420 [0,1,0,0,0,1|1,0,1]=4 300 B14R1.756 O=C(OC)C(\C=C\C1=CC=CC=C1)=O AK685036 [0,1,0,0,0,1|0,0,1]=3 301 B14R1.3099 CC(C)(O)C(OCC1=CC=CC=C1)=O AK-85827 [0,1,0,0,0,1|1,0,1]=4 302 B14R1.4194 O=C(O)[C@H](NCC1=CC=CC=C1)CO AK112844 [0,1,0,0,0,1|0,0,2]=4 303 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]=4 304 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]=4 305 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(OC)C=C1 AK-46463 [0,2,0,0,0,0|1,0,1]=4 306 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(OC)C=C1 AK141180 [0,2,0,0,0,0|1,0,1]=4 307 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-44175 [0,2,0,0,0,0|1,0,1]=4 308 B14R1.134 N[C@@H](CC1=CC=C(C=C1)O)C(OC)=O AK-49703 [0,2,0,0,0,0|1,0,1]=4 309 B14R1.134 N[C@H](CC1=CC=C(Cl)C=C1)C(OC)=O AK-49701 [0,2,0,0,0,0|1,0,1]=4 310 B14R1.134 O=C(OC)C(N)CC1=CC=C(O)C=C1 AK115635 [0,2,0,0,0,0|1,0,1]=4 311 B14R1.134 O=C(OC)[C@@H](N)CC1=CC=C(Br)C=C1 AK117108 [0,2,0,0,0,0|1,0,1]=4 312 B14R1.134 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)OC AK-49737 [0,2,0,0,0,0|1,0,1]=4 313 B14R1.686 C1=CC(=C(C=C1C[C@H](C(=O)O)N)Cl)Cl AK-73133 [0,2,0,0,0,0|1,0,1]=4 314 B14R1.686 NC(CC1=CC(Br)=C(O)C=C1)C(O)=O AK109449 [0,2,0,0,0,0|1,0,1]=4 315 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(F)C(F)=C1 AK106117 [0,2,0,0,0,0|1,0,1]=4 316 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(Cl)=C1 AK-50086 [0,2,0,0,0,0|1,0,1]=4 317 B14R1.686 O=C(O)[C@@H](N)CC1=CC=C(O)C(I)=C1 AK-86417 [0,2,0,0,0,0|1,0,1]=4 318 B14R1.686 O=C(O)[C@H](N)CC1=CC=C(O)C(I)=C1 AK167399 [0,2,0,0,0,0|1,0,1]=4 319 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 AK119798 [0,2,0,0,0,0|0,0,2]=4 320 B14R1.686 [C@@H](N)(C(O)=O)CC1=CC(=C(C=C1)Cl)Cl AK-73069 [0,2,0,0,0,0|1,0,1]=4 321 B14R1.686 [C@H](N)(CC1=CC(Br)=C(O)C=C1)C(O)=O AK-82171 [0,2,0,0,0,0|1,0,1]=4 322 B14R1.6049 ClC1=C(C[C@@H](N)C(=O)O)C=CC(=C1)Cl AK-25306 [0,2,0,0,0,0|1,0,1]=4 323 B14R1.6049 NC(CC1=CC=C(F)C=C1F)C(O)=O AK-87820 [0,2,0,0,0,0|1,0,1]=4 324 B14R1.6049 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1F AK110930 [0,2,0,0,0,0|1,0,1]=4 325 B14R1.6049 O=C(O)[C@H](N)CC1=CC=C(F)C=C1F AK-87819 [0,2,0,0,0,0|1,0,1]=4 326 B14R1.7626 O=C(O)C(C)(N)CC1=CC=C(O)C=C1 AK129847 [0,2,0,0,0,0|1,0,1]=4 327 B14R1.60 N[C@@H](CC1=CC=CC=C1)C(OCC)=O AK-46035 [0,2,0,0,0,0|1,0,1]=4 328 B14R1.60 O=C(OCC)C(N)CC1=CC=CC=C1 AK544810 [0,2,0,0,0,0|1,0,1]=4 329 B14R1.85 COC([C@@H]([C@@H](N)C1=CC=CC=C1)O)=O AK-25364 [0,2,0,0,0,0|0,0,2]=4 330 B14R1.135 O=C(OC)C(O)CC1=CC=CC(O)=C1 AK187423 [0,2,0,0,0,0|0,0,2]=4 331 B14R1.135 O=C(OC)[C@@H](N)CC1=CC=CC(O)=C1 AK130675 [0,2,0,0,0,0|1,0,1]=4 332 B14R1.1031 [C@@H](CC1=CC=CC=C1)(NC)C(=O)OC AK-88953 [0,2,0,0,0,0|1,0,1]=4 333 B14R1.1107 O=C(OC)C(C)(N)CC1=CC=CC=C1 AK162596 [0,2,0,0,0,0|1,0,1]=4 334 B14R1.75 N[C@@H](CC1=CC=CC(C#N)=C1)C(O)=O AK-23907 [0,2,0,0,0,0|1,0,1]=4 335 B14R1.75 N[C@H](CC1=CC=CC(OC)=C1)C(O)=O AK-41418 [0,2,0,0,0,0|1,0,1]=4 336 B14R1.75 O=C(O)[C@@H](N)CC1=CC=CC(OC)=C1 AK-41641 [0,2,0,0,0,0|1,0,1]=4 337 B14R1.75 O=C(O)[C@H](N)CC1=CC=CC(C#N)=C1 AK109494 [0,2,0,0,0,0|1,0,1]=4 338 B14R1.153 O=C(O)[C@@H](N)CC1=CC=CC(F)=C1F AK110929 [0,2,0,0,0,0|1,0,1]=4 339 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(O)=O AK-34674 [0,2,0,0,0,0|1,0,1]=4 340 B14R1.4257 N[C@@H](CC1=CC(F)=CC(F)=C1)C(O)=O AK-34622 [0,2,0,0,0,0|1,0,1]=4 341 B14R1.4257 O=C(O)[C@@H](N)CC1=CC(Cl)=CC(Cl)=C1 AK-59095 [0,2,0,0,0,0|1,0,1]=4 342 B14R1.3135 O=C(O)C(N)CC1=CC=CC=C1OC AK-87840 [0,2,0,0,0,0|1,0,1]=4 343 B14R1.4513 O=C(O)[C@@H](N(C)C)CC1=CC=CC=C1 AK-62987 [0,2,0,0,0,0|1,0,1]=4 344 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [1,0,0,1,0,0|0,0,0]=2 345 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [1,0,0,1,0,0|1,0,0]=3 346 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O AK-24554 [1,0,0,1,0,0|2,0,0]=4 347 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [1,0,0,1,0,0|1,0,1]=4 348 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [1,0,0,1,0,0|2,0,0]=4 349 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [1,0,0,1,0,0|0,0,1]=3 350 B12R2.32 O=CC1=CC2=CC=CC=C2O1 AK-25961 [1,0,0,1,0,0|0,0,2]=4 351 B12R2.32 O=CC1=NC2=CC=CC=C2N1 AK-25780 [1,0,0,1,0,0|2,0,0]=4 352 B12R2.32 O=CC1=NC2=CC=CC=C2S1 AK-30101 [1,0,0,1,0,0|1,1,0]=4 353 B12R2.32 S1C(=CC2=C1C=CC=C2)C=O AK-42941 [1,0,0,1,0,0|0,1,1]=4 354 B14R2.19 O=C1OCC(CC2=CC=CC=C2)C1 AK174602 [0,0,0,1,0,1|1,0,1]=4 355 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 AK-73049 [0,0,0,1,0,1|1,0,1]=4 356 B14R2.19 [C@H]1(CC2=CC=CC=C2)NC(OC1)=O AK-47452 [0,0,0,1,0,1|1,0,1]=4 357 B14R2.598 O=C1C(C2=CC=CC=C2)=CC(O1)=O AK113240 [0,0,0,1,0,1|1,0,1]=4 358 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 AK-60022 [0,0,0,1,0,1|1,0,1]=4 359 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 AK-33165 [0,0,0,1,0,1|2,0,0]=4 360 B14R2.768 OC(=O)CC1=CC2=C(S1)C=CC=C2 AK-48677 [0,0,0,1,0,1|0,1,1]=4 361 B14R2.768 OC(=O)CC1CC2=CC=CC=C2C1 AK-90079 [0,0,0,1,0,1|1,0,1]=4 362 B14R2.768 [NH]1C2=CC=CC=C2C=C1CC(=O)O AK-46211 [0,0,0,1,0,1|1,0,1]=4 363 B14R2.781 C1=C2C(=CN=C1C(O)=O)C=CC=C2 AK-26235 [0,0,0,1,0,1|1,0,1]=4 364 B14R2.781 C1=CC=CC2=CC=C(N=C12)C(O)=O AK-29611 [0,0,0,1,0,1|1,0,1]=4 365 B14R2.781 C1=CC=CC2=NC=C(N=C12)C(O)=O AK-23657 [0,0,0,1,0,1|1,0,1]=4 366 B14R2.781 O=C(C1=CC2=C(C=N1)C=CC=C2)O AK-29928 [0,0,0,1,0,1|1,0,1]=4 367 B14R2.781 O=C(C1=CC2=CC=CC=C2N=C1)O AK-26223 [0,0,0,1,0,1|1,0,1]=4 368 B14R2.781 O=C(C1CNC2=C(C=CC=C2)C1)O AK134934 [0,0,0,1,0,1|1,0,1]=4 369 B14R2.781 O=C(C1OC2=CC=CC=C2OC1)O AK-34764 [0,0,0,1,0,1|0,0,2]=4 370 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 AK-44143 [0,0,0,1,0,1|1,0,1]=4 371 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CC1 AK-35532 [0,0,0,1,0,1|1,0,1]=4 372 B14R2.781 O=C([C@H]1NCC2=C(C=CC=C2)C1)O AK-29492 [0,0,0,1,0,1|1,0,1]=4 373 B14R2.781 OC(=O)C1CC2=C(CN1)C=CC=C2 AK-75943 [0,0,0,1,0,1|1,0,1]=4 374 B14R2.781 OC(=O)C1CCC2=CC=CC=C2O1 AK-44050 [0,0,0,1,0,1|0,0,2]=4 375 B14R2.781 OC(=O)[C@H]1CC2=C(CN1)C=CC=C2 AK-32708 [0,0,0,1,0,1|1,0,1]=4 376 B14R2.781 [C@@H]1(NCC2=CC=CC=C2C1)C(=O)O AK-25831 [0,0,0,1,0,1|1,0,1]=4 377 B14R2.4402 O=C(C1C(C2=CC=C(Cl)C=C2)C1)O AK122406 [0,1,0,1,0,0|1,0,1]=4 378 B14R2.4402 OC(=O)C1CC1C2=CC=C(Br)C=C2 AK-51693 [0,1,0,1,0,0|1,0,1]=4 379 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Br)O AK-36225 [0,1,0,1,0,0|1,0,1]=4 380 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O AK-40726 [0,1,0,1,0,0|1,0,1]=4 381 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Cl)O AK-28711 [0,1,0,1,0,0|1,0,1]=4 382 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)Br)O AK-27258 [0,1,0,1,0,0|1,0,1]=4 383 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)C)O AK-77187 [0,1,0,1,0,0|1,0,1]=4 384 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)F)O AK-34615 [0,1,0,1,0,0|1,0,1]=4 385 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O AK-44665 [0,1,0,1,0,0|1,0,1]=4 386 B14R2.4529 OC(=O)C1=CC2=C(O1)C=CC(O)=C2 AK-48342 [0,1,0,1,0,0|0,0,2]=4 387 B14R2.4529 OC(=O)C1=NC2=C(S1)C=C(Cl)C=C2 AK-31162 [0,1,0,1,0,0|1,1,0]=4 388 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)NC1=O AK157312 [0,1,0,1,0,0|2,0,0]=4 389 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC AK-86776 [0,1,0,1,0,0|2,0,0]=4 390 B14R2.972 O=C(C1=NC2=CC=CC=C2O1)OC AK-31638 [0,1,0,1,0,0|1,0,1]=4 391 B14R2.972 O=C(C=1NC2=C(C1)C=CC=C2)OC AK-81488 [0,1,0,1,0,0|1,0,1]=4 392 B14R2.8188 O=C1C(O)=C(C)NC2=C1C=CC=C2 AK-94309 [0,1,0,1,0,0|2,0,0]=4 393 B14R2.8188 O=C1NC2=C(C=CC=C2)C(O)=C1C AK152649 [0,1,0,1,0,0|2,0,0]=4 394 B14R2.4476 O=C(C1C(C2=CC=CC(Cl)=C2)C1)O AK167718 [0,1,0,1,0,0|1,0,1]=4 395 B14R2.7969 BrC1=C2[NH]C(=CC2=CC=C1)C(=O)O AK-23872 [0,1,0,1,0,0|1,0,1]=4 396 B14R2.7969 C1=C(SC2=C(Cl)C=CC=C12)C(=O)O AK-46599 [0,1,0,1,0,0|0,1,1]=4 397 B14R2.7969 O=C(C1=CC2=C(Br)C=CC=C2S1)O AK134990 [0,1,0,1,0,0|0,1,1]=4 398 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)Br)O AK-23743 [0,1,0,1,0,0|1,0,1]=4 399 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)C)O AK-33829 [0,1,0,1,0,0|1,0,1]=4 400 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)F)O AK-35026 [0,1,0,1,0,0|1,0,1]=4 401 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O AK-35025 [0,1,0,1,0,0|1,0,1]=4 402 B14R2.7969 OC(=O)C1=NC2=C(S1)C=CC=C2F AK-28264 [0,1,0,1,0,0|1,1,0]=4 403 B14R2.450 C1=CC=CC2=C1[N](C)C(=C2)C(O)=O AK-29896 [0,1,0,1,0,0|1,0,1]=4 404 B14R2.450 CN1C(=NC2=C1C=CC=C2)C(O)=O AK-34031 [0,1,0,1,0,0|2,0,0]=4 405 B14R2.450 O=C(C1=C(Cl)C2=CC=CC=C2O1)O AK151086 [0,1,0,1,0,0|0,0,2]=4 406 B14R2.5443 O=C(C1C(C2=CC=CC=C2Cl)C1)O AK167717 [0,1,0,1,0,0|1,0,1]=4 407 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,0,0,0,1,0|1,0,1]=4 408 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,0,0,0,1,0|2,0,0]=4 409 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,0,0,0,1,0|2,0,0]=4 410 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,0,0,0,1,0|0,0,1]=3 411 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [1,0,0,0,1,0|1,0,1]=4 412 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [1,0,0,0,0,1|1,0,1]=4 413 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [1,0,0,0,0,1|0,0,1]=3 414 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [1,0,0,0,0,1|1,0,1]=4 415 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [1,0,0,0,0,1|0,0,1]=3 416 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [1,0,0,0,0,1|0,0,1]=3 417 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [1,0,0,0,0,1|0,0,2]=4 418 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [1,0,0,0,0,1|0,0,1]=3 419 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [1,0,0,0,0,1|0,0,1]=3 420 B14R1.423 O=C(O)CNC(CC1=CC=CC=C1)=O AK135274 [0,0,0,0,0,2|0,0,0]=2 421 B14R1.6449 NC(CCCC1=CC=CC=C1)C(O)=O AK-89432 [0,0,0,0,0,2|1,0,1]=4 422 B14R1.6449 O=C(O)C(N)COCC1=CC=CC=C1 AK-93999 [0,0,0,0,0,2|1,0,1]=4 423 B14R1.6449 O=C(O)[C@@H](N)CCCC1=CC=CC=C1 AK114991 [0,0,0,0,0,2|1,0,1]=4 424 B14R1.6449 O=C(O)[C@@H](N)COCC1=CC=CC=C1 AK-77303 [0,0,0,0,0,2|1,0,1]=4 425 B14R1.6449 O=C(O)[C@@H](N)COCC1=CC=CC=C1 AK544805 [0,0,0,0,0,2|1,0,1]=4 426 B14R1.6449 O=C(O)[C@H](N)CSCC1=CC=CC=C1 AK-81245 [0,0,0,0,0,2|1,0,1]=4