0 B13R1.21 NC1=CC=C([C@@H](O)[C@H](N)CO)C=C1 D70224 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 50781 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66823 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 N12380 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D92240 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42155 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 51807 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55912 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55926 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58164 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58175 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61116 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61117 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.16 O=C(CCO)C1=CC=C(O)C=C1 32049 [1,0,0,0,0,0|1,0,2]=4 14 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 C10958 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 75254 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 A11529 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 H10731 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 28708 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 D95528 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 D95165 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C10910 [1,0,0,0,0,0|1,0,0]=2 22 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 D97455 [1,0,0,0,0,0|1,0,0]=2 23 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N/O 91125 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O W10709 [1,0,0,0,0,0|2,0,1]=4 25 B14R1.7 CSC1=CC=C([C@@H](O)[C@H](N)CO)C=C1 D73180 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.1 BrCCCC1=CC=C(Br)C=C1 AB12305 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.1 CC1=CC=C(OCCO)C=C1 D81782 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.1 CCCCC1=CC=C(Br)C=C1 28617 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.1 CCCCC1=CC=C(Cl)C=C1 D88987 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.1 CCCCC1=CC=C(I)C=C1 O10393 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.1 CCCCC1=CC=C(O)C=C1 D88733 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.1 ClCCCC1=CC=C(Br)C=C1 C13894 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 S10875 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.1 NC1=CC=C(NCCO)C=C1 71218 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.1 NCCCC1=CC=C(Cl)C=C1 F20044 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.1 OCCCC1=CC=C(Br)C=C1 AB3206 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.1 OCCCC1=CC=C(Cl)C=C1 W10512 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.1 OCCCC1=CC=C(F)C=C1 AB3825 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.1 OCCCC1=CC=C(O)C=C1 FD10610 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.1 OCCCC1=CN=C(Br)C=C1 Y10949 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.1 OCCOC1=CC=C(Cl)C=C1 D89220 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 D92112 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 D81704 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.16 ClCC[C@H](Br)C1=CC=CC=C1 AB10338 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 20164 [2,0,0,0,0,0|1,0,0]=3 46 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 AB10355 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 D83101 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65209 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65210 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 D80419 [2,0,0,0,0,0|0,0,0]=2 51 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 58104 [2,0,0,0,0,0|1,0,0]=3 52 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 58184 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 58185 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 AR2891 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 C13924 [2,0,0,0,0,0|0,0,2]=4 56 B11R1.22 CC[C@H](C)C1=CC=C(N)C=C1 26222 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.22 CC[C@H](C)C1=CC=C(O)C=C1 D95332 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 I11206 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 I11174 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y10292 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y10293 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11093 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 D80595 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 71717 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 AR2888 [2,0,0,0,0,0|1,0,0]=3 66 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 78315 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11184 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 72134 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.22 O[C@@H](CBr)C1=CC=C(Br)C=C1 D79032 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.22 O[C@@H](CBr)C1=CC=C(Br)C=C1 W13137 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.22 O[C@@H](CCl)C1=CC=C(Cl)C=C1 58246 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 34723 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.20 CC(C)CC1=CC=C(I)C=C1 D94791 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.20 CC(C)CC1=CC=C(N)C=C1 N12506 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.20 CC(C)OC1=CC=C(N)C=C1 33937 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.20 CN(C)CC1=CC=C(N)C=C1 34677 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.20 C[C@H](N)CC1=CC=C(F)C=C1 BL000373 [2,0,0,0,0,0|1,0,0]=3 78 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 AC7503 [2,0,0,0,0,0|1,0,1]=4 79 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 20155 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74149 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 F17453 [2,0,0,0,0,0|0,0,2]=4 82 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24604 [2,0,0,0,0,0|1,0,1]=4 83 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D70151 [2,0,0,0,0,0|1,0,1]=4 84 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 D94692 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 F17120 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.40 C[C@H](CO)CC1=CC=CC=C1 D86956 [2,0,0,0,0,0|1,0,0]=3 87 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR3947 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26243 [2,0,0,0,0,0|0,0,0]=2 89 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26245 [2,0,0,0,0,0|0,0,0]=2 90 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 F10667 [2,0,0,0,0,0|0,0,0]=2 91 B11R1.40 N\C(CC1=CC=CC=C1)=N\O W10704 [2,0,0,0,0,0|1,0,1]=4 92 B13R1.452 COC1=CC=C([C@@H](N)CCO)C=C1 63897 [1,1,0,0,0,0|2,0,0]=4 93 B13R1.452 COC1=CC=C([C@@H](N)CCO)C=C1 63898 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.452 COC1=CC=C([C@@H](N)CCO)C=C1 63899 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 N10843 [1,1,0,0,0,0|1,0,0]=3 96 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50113 [1,1,0,0,0,0|1,0,1]=4 97 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50212 [1,1,0,0,0,0|1,0,1]=4 98 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 F12350 [1,1,0,0,0,0|1,0,1]=4 99 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 F12222 [1,1,0,0,0,0|0,0,1]=3 100 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 F16190 [1,1,0,0,0,0|0,0,1]=3 101 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 H10530 [1,1,0,0,0,0|0,0,1]=3 102 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 56074 [1,1,0,0,0,0|1,0,1]=4 103 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 56076 [1,1,0,0,0,0|1,0,1]=4 104 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O O10645 [1,1,0,0,0,0|1,0,1]=4 105 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 57471 [1,1,0,0,0,0|1,0,1]=4 106 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O F16492 [1,1,0,0,0,0|1,0,1]=4 107 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O N10776 [1,1,0,0,0,0|1,0,1]=4 108 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O N10779 [1,1,0,0,0,0|1,0,1]=4 109 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 28339 [1,1,0,0,0,0|1,0,1]=4 110 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 73289 [1,1,0,0,0,0|1,0,1]=4 111 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 73296 [1,1,0,0,0,0|1,0,1]=4 112 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O N12221 [1,1,0,0,0,0|1,0,1]=4 113 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O O10208 [1,1,0,0,0,0|1,0,1]=4 114 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 33929 [1,1,0,0,0,0|1,0,1]=4 115 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 59301 [1,1,0,0,0,0|1,0,1]=4 116 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 59303 [1,1,0,0,0,0|1,0,1]=4 117 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 29002 [1,1,0,0,0,0|1,0,1]=4 118 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O AC2634 [1,1,0,0,0,0|1,0,1]=4 119 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O D70837 [1,1,0,0,0,0|1,0,1]=4 120 B15R1.1333 N[C@H](CO)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 D77698 [0,2,0,0,0,0|0,0,1]=3 121 B15R1.1333 N[C@H](CO)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 O10017 [0,2,0,0,0,0|0,0,1]=3 122 B13R2.5179 O[C@H]1CCOC2=C1C=CC(Br)=C2 SC5063 [1,0,0,1,0,0|1,0,0]=3 123 B13R1.14 OC[C@H](O)COC1=CC=C(Cl)C=C1 D71194 [1,0,0,0,0,1|2,0,0]=4