0 B12R1.16 NC(CCO)C1=CC=C(C=C1)Cl AK-50547 [1,0,0,0,0,0|2,0,0]=3 1 B12R1.16 NC(CCO)C1=CC=C(C=C1)F AK-39303 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.16 OCC[C@H](N)C1=CC=C(N)C=C1 AK310897 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.20 CC(C)[C@@H](C1=CC=C(Br)C=C1)N AK684523 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 AK-88708 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O AK-87117 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.20 O=C(O)[C@H](N)C1=CC=C(N)C=C1 AK484894 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.1 CC1=CC=C(OCCO)C=C1 AK187911 [2,0,0,0,0,0|2,0,0]=4 10 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [2,0,0,0,0,0|2,0,0]=4 12 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [2,0,0,0,0,0|2,0,0]=4 14 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [2,0,0,0,0,0|1,0,0]=3 15 B11R1.1 OCCCC1=CC=C(Br)N=C1 AK-80543 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.22 BrC1=CC=C(C(N)CO)C=C1 AK607944 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.22 BrC1=CC=C([C@@H](N)CO)C=C1 AK172682 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=C1 AK486779 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.22 ClC1=CC=C([C@H](N)CO)C=C1 AK607971 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.22 FC1=CC=C([C@@H](N)CO)C=C1 AK117861 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117823 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117858 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AK101499 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 AK110007 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.22 OC[C@@H](N)C1=CC=C(Br)C=C1 AK338220 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.22 OC[C@H](N)C1=CC=C(Br)C=C1 AK202041 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [2,0,0,0,0,0|0,0,2]=4 60 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [2,0,0,0,0,0|0,0,0]=2 64 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [2,0,0,0,0,0|0,0,0]=2 65 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [2,0,0,0,0,0|0,0,0]=2 66 B13R1.1511 OCC[C@H](N)C1=CC=C(F)C=C1F AK607996 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.36 CC(C)C(C1=CC=C(OC)C=C1)O AK147299 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.152 CC(C1=CC=CC=C1)C(N)C(O)=O AK-36440 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.5 OCC(N)CC1=CC=C(OC)C=C1 AK158853 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.133 CC1=CC=C(CC(N)C(O)=O)C=C1 AK-35255 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.133 FC1=CC=C(C[C@H](N)C(=O)O)C=C1 AK-25301 [1,1,0,0,0,0|1,0,1]=4 72 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(O)=O AK-49382 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(O)=O AK-80383 [1,1,0,0,0,0|1,0,1]=4 74 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(O)=O AK-93419 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(O)=O AK-49989 [1,1,0,0,0,0|1,0,1]=4 76 B13R1.133 N[C@H](CC1=CC=C(C)C=C1)C(O)=O AK-81259 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(O)=O AK-49327 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.133 O=C(O)C(N)CC1=CC=C(O)C=C1 AK-81253 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Br)C=C1 AK-75929 [1,1,0,0,0,0|1,0,1]=4 80 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Cl)C=C1 AK-81361 [1,1,0,0,0,0|1,0,1]=4 81 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 AK139122 [1,1,0,0,0,0|1,0,1]=4 82 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(N)C=C1 AK-42598 [1,1,0,0,0,0|0,0,1]=3 83 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(O)C=C1 AK-62832 [1,1,0,0,0,0|1,0,1]=4 84 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(F)C=C1 AK-42471 [1,1,0,0,0,0|1,0,1]=4 85 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(N)C=C1 AK106107 [1,1,0,0,0,0|0,0,1]=3 86 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(O)C=C1 AK-49908 [1,1,0,0,0,0|1,0,1]=4 87 B13R1.133 [C@H](N)(CC1=CC=C(C)C=C1)C(O)=O AK-81281 [1,1,0,0,0,0|1,0,1]=4 88 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O AK-48062 [1,1,0,0,0,0|1,0,1]=4 89 B15R1.1333 O[C@@H](C1=CC=C([N+]([O-])=O)C=C1)[C@@H](N)CO AK-47335 [0,2,0,0,0,0|0,0,1]=3 90 B15R1.1333 [C@@H](N)(CO)[C@H](O)C1=CC=C(C=C1)N(=O)=O AK-73036 [0,2,0,0,0,0|0,0,1]=3 91 B13R2.5179 NC1CCOC2=C1C=CC(F)=C2 AK-50863 [1,0,0,1,0,0|2,0,0]=4 92 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(Br)=C2 AK172744 [1,0,0,1,0,0|2,0,0]=4 93 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(F)=C2 AK-50861 [1,0,0,1,0,0|2,0,0]=4 94 B13R2.5179 O=C1CCOC2=C1C=CC(N)=C2 AK552506 [1,0,0,1,0,0|0,0,2]=4 95 B13R2.5179 OC1CCOC2=C1C=CC(Br)=C2 AK201268 [1,0,0,1,0,0|1,0,0]=3 96 B13R2.15 NC1C(C2=CC=CC=C2)CCC1 AK162235 [1,0,0,1,0,0|2,0,0]=4 97 B13R2.32 NC1CCC2=C(C=CC=C2)C1O AK-55883 [1,0,0,1,0,0|1,0,0]=3 98 B13R2.148 OC1=CC=C(CC2(N)CC2)C=C1 AK150057 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.3683 NC1CC2=C(C=C(Br)C=C2)CC1 AK-63403 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.3683 NC1CC2=C(C=C(Br)C=C2)CC1 AK318917 [1,0,0,1,0,0|2,0,0]=4