0 B14R1.686 CC1=C(C)C=C(NC(C)C(=O)O)C=C1 020232 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O 004858 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(=O)O 237119 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.686 NC(CC1=CC=C(O)C(F)=C1)C(=O)O 303067 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 M03158 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O M03243 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O 358380 [0,0,0,0,0,0|0,0,0]=0 7 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O 040512 [0,0,0,0,0,0|1,0,0]=1 8 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(=O)O M06129 [0,0,0,0,0,0|1,0,0]=1 9 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 196028 [0,0,0,0,0,0|1,0,1]=2 10 B13R1.133 CC(SC1=CC=C(Cl)C=C1)C(=O)O 011132 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 308218 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O 238977 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O 222154 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 002355 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 222391 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 235606 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 040892 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 008572 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 103253 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 404518 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 405508 [1,0,0,0,0,0|0,0,0]=1 22 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M02963 [1,0,0,0,0,0|0,0,0]=1 23 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O M03236 [1,0,0,0,0,0|1,0,0]=2 24 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O M02937 [1,0,0,0,0,0|0,0,0]=1 25 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 013604 [1,0,0,0,0,0|1,0,1]=3 26 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O M02556 [1,0,0,0,0,0|0,0,0]=1 27 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O M03194 [1,0,0,0,0,0|0,0,0]=1 28 B13R1.148 NC(CC1=CC=CC(Br)=C1)C(=O)O 225532 [1,0,0,0,0,0|1,0,0]=2 29 B13R1.148 NC(CC1=CC=CC(F)=C1)C(=O)O 002165 [1,0,0,0,0,0|1,0,0]=2 30 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O 049192 [1,0,0,0,0,0|1,0,0]=2 31 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O 008570 [1,0,0,0,0,0|1,0,0]=2 32 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O 209863 [1,0,0,0,0,0|0,0,0]=1 33 B13R1.148 N[C@H](CC1=CC(O)=CC=C1)C(=O)O 092215 [1,0,0,0,0,0|0,0,0]=1 34 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O M03176 [1,0,0,0,0,0|1,0,0]=2 35 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 103092 [1,0,0,0,0,0|0,0,0]=1 36 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 018536 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 209825 [1,0,0,0,0,0|0,0,2]=3 38 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1 223023 [0,1,0,0,0,0|0,0,0]=1 39 B15R1.28955 NC(CC1=CC(F)=C(Cl)C(F)=C1)C(=O)O 343381 [0,1,0,0,0,0|2,0,0]=3 40 B15R1.28955 NC(CC1=CC(F)=C(F)C(F)=C1)C(=O)O 005862 [0,1,0,0,0,0|2,0,0]=3 41 B15R1.28955 N[C@@H](CC1=CC(F)=C(F)C(F)=C1)C(=O)O 034494 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.510 CC1=CC(C(N)C(=O)O)=CC=C1F 005808 [0,0,0,0,1,0|2,0,0]=3 43 B13R1.510 O=C(O)C(O)C1=CC(O)=C(O)C=C1 M01655 [0,0,0,0,1,0|1,0,0]=2 44 B13R1.510 O=C(O)C(O)C1=CC=C(F)C(F)=C1 005212 [0,0,0,0,1,0|3,0,0]=4 45 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 018857 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 042198 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 103202 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 002500 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 477557 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 018312 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 121300 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 006340 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 033922 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 078730 [2,0,0,0,0,0|0,0,0]=2 56 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 216660 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 006318 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 358423 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 033382 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 006343 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [2,0,0,0,0,0|0,0,2]=4 62 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [2,0,0,0,0,0|0,0,2]=4 63 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 209321 [2,0,0,0,0,0|1,0,1]=4 64 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 M02966 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 093728 [2,0,0,0,0,0|0,0,0]=2 66 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 404464 [2,0,0,0,0,0|0,0,0]=2 67 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M02961 [2,0,0,0,0,0|0,0,0]=2 68 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M02934 [2,0,0,0,0,0|0,0,0]=2 69 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 433344 [2,0,0,0,0,0|1,0,0]=3 70 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 003388 [2,0,0,0,0,0|1,0,0]=3 71 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O 222744 [2,0,0,0,0,0|1,0,0]=3 72 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 018856 [2,0,0,0,0,0|1,0,0]=3 73 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 002499 [2,0,0,0,0,0|1,0,0]=3 74 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 018311 [2,0,0,0,0,0|1,0,0]=3 75 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 018434 [2,0,0,0,0,0|1,0,0]=3 76 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 018728 [2,0,0,0,0,0|0,0,0]=2 77 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 040411 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [2,0,0,0,0,0|0,0,2]=4 79 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 092681 [2,0,0,0,0,0|1,0,1]=4 80 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 226420 [1,1,0,0,0,0|0,0,0]=2 81 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M03187 [1,1,0,0,0,0|0,0,0]=2 82 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(Cl)C=C1 239533 [1,1,0,0,0,0|2,0,0]=4 83 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 369927 [1,1,0,0,0,0|1,0,0]=3 84 B14R1.134 COC(=O)C(N)CC1=CC=C(F)C=C1 492932 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 241935 [1,1,0,0,0,0|0,0,0]=2 86 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 463863 [1,1,0,0,0,0|2,0,0]=4 87 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M02995 [1,1,0,0,0,0|0,0,0]=2 88 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M03107 [1,1,0,0,0,0|0,0,0]=2 89 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 045376 [1,1,0,0,0,0|0,0,0]=2 90 B14R1.6049 NC(CC1=CC=C(F)C=C1F)C(=O)O 004856 [1,1,0,0,0,0|1,0,0]=3 91 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O 303151 [1,1,0,0,0,0|0,0,0]=2 92 B14R1.75 COC1=CC(C[C@H](N)C(=O)O)=CC=C1 092793 [1,1,0,0,0,0|0,0,0]=2 93 B14R1.75 N#CC1=CC(CC(N)C(=O)O)=CC=C1 226203 [1,1,0,0,0,0|1,0,0]=3 94 B14R1.135 COC(=O)[C@H](N)CC1=CC=CC(F)=C1 303291 [1,1,0,0,0,0|1,0,0]=3 95 B14R1.153 NC(CC1=CC=CC(F)=C1F)C(=O)O 004855 [1,1,0,0,0,0|1,0,0]=3 96 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O 004859 [1,1,0,0,0,0|1,0,0]=3 97 B14R1.4474 NC(CC1=CC(F)=CC=C1F)C(=O)O 004857 [1,1,0,0,0,0|1,0,0]=3 98 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O 077642 [1,1,0,0,0,0|0,0,2]=4 99 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1O 210229 [1,1,0,0,0,0|0,0,2]=4 100 B14R1.41 COC1=CC(C(O)C(=O)O)=CC=C1O 321935 [0,1,0,0,1,0|1,0,0]=3 101 B14R1.15551 NC(C(=O)O)C1=CC(F)=C(F)C(F)=C1 005863 [0,1,0,0,1,0|2,0,0]=4 102 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 040719 [0,2,0,0,0,0|0,0,0]=2 103 B16R1.1058 N[C@@H](CC1=CC([N+](=O)[O-])=C(O)C=C1)C(=O)O M03246 [0,2,0,0,0,0|0,0,1]=3 104 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 077631 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 245810 [1,0,0,0,1,0|1,0,0]=3 106 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 040245 [1,0,0,0,1,0|1,0,0]=3 107 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 180320 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 078029 [1,0,0,0,1,0|1,0,0]=3 109 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 040395 [1,0,0,0,1,0|1,0,0]=3 110 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 007904 [1,0,0,0,1,0|1,0,0]=3 111 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 034407 [1,0,0,0,1,0|1,0,0]=3 112 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 222543 [1,0,0,0,1,0|0,0,0]=2 113 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 040396 [1,0,0,0,1,0|1,0,0]=3 114 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 040273 [1,0,0,0,1,0|1,0,0]=3 115 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 093194 [1,0,0,0,1,0|0,0,0]=2 116 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 019427 [1,0,0,0,1,0|2,0,0]=4 117 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 229418 [1,0,0,0,1,0|2,0,0]=4 118 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 006259 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 209478 [1,0,0,0,1,0|1,0,0]=3 120 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 234352 [1,0,0,0,1,0|1,0,0]=3 121 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O 241376 [1,0,0,0,1,0|2,0,0]=4 122 B12R1.104 N[C@H](CC1=CC=C(Br)S1)C(=O)O 241398 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.225 CC1=CC(C(O)C(=O)O)=CC=C1 019269 [1,0,0,0,1,0|2,0,0]=4 124 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 040394 [1,0,0,0,1,0|1,0,0]=3 125 B12R1.225 O=C(O)C(O)C1=CC(O)=CC=C1 436900 [1,0,0,0,1,0|1,0,0]=3 126 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 222415 [1,0,0,0,1,0|2,0,0]=4 127 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 307069 [1,0,0,0,1,0|2,0,0]=4 128 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 241447 [1,0,0,0,0,1|1,0,0]=3