0 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A54170 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69607 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69612 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 M52829 [1,0,0,0,0,0|0,0,1]=2 4 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 M38061 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 M49941 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.3 CSC1=CC=C(C=CC(=O)O)C=C1 M52447 [1,0,0,0,0,0|0,1,1]=3 7 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 C53932 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 A53153 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69608 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69604 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H69720 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A52242 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A50187 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A68975 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68143 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68518 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C61026 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O A52080 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F67480 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O A67896 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O A52127 [1,0,0,0,0,0|1,0,1]=3 22 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T60596 [1,0,0,0,0,0|1,0,1]=3 23 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C37486 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A49839 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A52079 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O A68483 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T64926 [1,0,0,0,0,0|1,0,1]=3 28 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 C24234 [1,0,0,0,0,0|3,0,0]=4 29 B15R1.495 O=C(O)C(=O)CC1=CC=C([N+](=O)[O-])C=C1 N38182 [0,1,0,0,0,0|2,0,0]=3 30 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 A54175 [0,1,0,0,0,0|1,0,1]=3 31 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 M53961 [0,0,0,1,0,0|1,0,1]=3 32 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 M23681 [0,0,0,1,0,0|2,0,0]=3 33 B15R2.4834 COC1=CC2=C(C=C1)OC(C(=O)O)=C2 M16085 [0,0,0,1,0,0|2,0,0]=3 34 B15R2.4834 COC1=CC2=C(C=C1)O[C@H](C(=O)O)C2 M52488 [0,0,0,1,0,0|2,0,1]=4 35 B15R2.4834 COC1=CC2=C(C=N1)NC(C(=O)O)=C2 M3997 [0,0,0,1,0,0|3,0,0]=4 36 B15R2.4834 COC1=CN2C=C(C(=O)O)N=C2C=C1 M51421 [0,0,0,1,0,0|3,0,0]=4 37 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 M52461 [0,0,0,0,1,0|1,0,0]=2 38 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A1587 [0,0,0,0,1,0|1,0,1]=3 39 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A18835 [0,0,0,0,1,0|1,0,1]=3 40 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 H49948 [0,0,0,0,1,0|0,0,2]=3 41 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 M68960 [0,0,0,0,1,0|0,0,2]=3 42 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 H49949 [0,0,0,0,1,0|0,0,2]=3 43 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [2,0,0,0,0,0|0,0,1]=3 45 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [2,0,0,0,0,0|0,0,1]=3 46 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.71 COC1=CC=C(CNC=O)C=C1 M50050 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M37629 [2,0,0,0,0,0|0,0,0]=2 54 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [2,0,0,0,0,0|0,0,1]=3 55 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 M50047 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 M48659 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 M49906 [2,0,0,0,0,0|0,1,0]=3 58 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 C51175 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 A52120 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 B51900 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 H49932 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 F51626 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [2,0,0,0,0,0|1,0,1]=4 66 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [2,0,0,0,0,0|1,0,1]=4 67 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [2,0,0,0,0,0|1,0,1]=4 68 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [2,0,0,0,0,0|0,0,2]=4 69 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [2,0,0,0,0,0|0,0,2]=4 70 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 A52983 [1,1,0,0,0,0|0,0,1]=3 71 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=C1 A37543 [1,1,0,0,0,0|0,0,1]=3 72 B14R1.5 CCC(=O)C=CC1=CC=C(OC)C=C1 M55919 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.142 NCCC1=CC=C(CCC(=O)O)C=C1 A61555 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.3653 COC1=C(Cl)C=C(CCC(=O)O)C=C1 C52661 [1,1,0,0,0,0|0,0,1]=3 75 B14R1.3653 COC1=C(F)C=C(CCC(=O)O)C=C1 F63025 [1,1,0,0,0,0|0,0,1]=3 76 B14R1.954 CCOC(=O)CC1=CC=C(OC)C=C1 E54790 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M54169 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M67908 [1,1,0,0,0,0|1,0,1]=4 79 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O A69186 [1,1,0,0,0,0|1,0,1]=4 80 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O M64875 [1,1,0,0,0,0|1,0,1]=4 81 B14R1.213 COC1=CC=C(C(C)(C)C(=O)O)C=C1 M54802 [0,1,0,0,1,0|1,0,1]=4 82 B14R1.6402 O=C(O)C(=O)C1=CC=C([N+](=O)[O-])C=C1 N67671 [0,1,0,0,1,0|2,0,0]=4 83 B16R1.197 COC(=O)\C(Cl)=N\NC1=CC=C(OC)C=C1 M67222 [0,1,0,0,0,1|2,0,0]=4 84 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 A54897 [0,2,0,0,0,0|1,0,1]=4 85 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 A54899 [0,2,0,0,0,0|1,0,1]=4 86 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 M52571 [1,0,0,1,0,0|1,0,1]=4 87 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 M38755 [1,0,0,1,0,0|1,0,1]=4 88 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=N2 M51375 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 M51825 [1,0,0,1,0,0|1,0,1]=4 90 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O M1239 [1,0,0,1,0,0|1,0,0]=3 91 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(O)C=C2 H29928 [1,0,0,1,0,0|1,0,1]=4 92 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [1,0,0,1,0,0|1,0,1]=4 93 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 M20000 [1,0,0,1,0,0|0,1,1]=4 94 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M53943 [1,0,0,1,0,0|2,0,0]=4 95 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 H51210 [1,0,0,1,0,0|1,0,1]=4 96 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H51209 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 H51002 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 M51200 [0,0,0,1,1,0|1,0,0]=3 99 B16R2.7476 COC1=CC2=C(C=C1)OC[C@@H](C(=O)O)C2 M65996 [0,0,0,1,0,1|1,0,1]=4 100 B16R2.7604 COC(=O)C1=CC2=C(C=C(OC)C=C2)N1 M54439 [0,1,0,1,0,0|1,0,1]=4 101 B16R2.39460 COC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 C62388 [0,1,0,1,0,0|0,1,1]=4 102 B16R2.7486 COC1=CC=C2C=C(C(=O)O)C=CC2=C1 M22620 [0,1,0,1,0,0|1,0,1]=4 103 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 M50044 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M68842 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B68678 [1,0,0,0,1,0|1,0,1]=4 106 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 C68948 [1,0,0,0,1,0|1,0,1]=4 107 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [1,0,0,0,1,0|1,0,1]=4 108 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [1,0,0,0,1,0|1,0,1]=4 109 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [1,0,0,0,1,0|1,0,1]=4 110 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 B47800 [1,0,0,0,1,0|1,0,0]=3 111 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 C47803 [1,0,0,0,1,0|1,0,0]=3 112 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 F47808 [1,0,0,0,1,0|1,0,0]=3 113 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [1,0,0,0,1,0|0,0,2]=4 114 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [1,0,0,0,1,0|0,0,2]=4 115 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 E38126 [1,0,0,0,0,1|1,0,1]=4 116 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M54789 [1,0,0,0,0,1|0,0,1]=3 117 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 M52856 [1,0,0,0,0,1|0,0,1]=3 118 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 M52855 [1,0,0,0,0,1|0,0,1]=3 119 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 M52977 [0,0,0,0,1,1|1,0,1]=4 120 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52986 [0,0,0,0,1,1|1,0,1]=4