0 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 06173 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 06012 [0,0,0,0,0,0|1,0,1]=2 2 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 14399 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 06251 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 21455 [0,0,0,0,0,0|1,0,1]=2 5 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 23314 [0,0,0,0,0,0|2,0,1]=3 6 B14R1.3 COC1=CC=C(OC(C)C(=O)[O-])C=C1 31980 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 12398 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 04111 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 04110 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.3 NCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 16852 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.3 NCC1=CC=C(C[C@H](N)C(=O)O)C=C1 07166 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 25778 [1,0,0,0,0,0|0,0,1]=2 13 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 30358 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 30872 [1,0,0,0,0,0|0,0,1]=2 15 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O 26396 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 07070 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 07069 [1,0,0,0,0,0|1,0,1]=3 18 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 23528 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 03155 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 03679 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O 06163 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O 03321 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 06170 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 06172 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 01930 [1,0,0,0,0,0|1,0,1]=3 26 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 06161 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 06160 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 02594 [1,0,0,0,0,0|2,0,1]=4 29 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 03296 [1,0,0,0,0,0|2,0,1]=4 30 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 04086 [1,0,0,0,0,0|2,0,1]=4 31 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 02861 [1,0,0,0,0,0|2,0,1]=4 32 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 02572 [1,0,0,0,0,0|2,0,1]=4 33 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 03376 [1,0,0,0,0,0|2,0,1]=4 34 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 00303 [1,0,0,0,0,0|1,0,1]=3 35 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 00304 [1,0,0,0,0,0|1,0,1]=3 36 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 04087 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 02862 [1,0,0,0,0,0|2,0,1]=4 38 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 02863 [1,0,0,0,0,0|2,0,1]=4 39 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 04150 [1,0,0,0,0,0|2,0,1]=4 40 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 00305 [1,0,0,0,0,0|1,0,1]=3 41 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 21573 [1,0,0,0,0,0|0,0,0]=1 42 B15R1.208 CN[C@@H](CC1=CC=C(OC)C=C1)C(=O)O 06351 [0,1,0,0,0,0|1,0,1]=3 43 B15R1.208 COC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 25717 [0,1,0,0,0,0|1,0,1]=3 44 B15R1.495 CC(=O)C1=CC=C(CC(N)C(=O)O)C=C1 31978 [0,1,0,0,0,0|2,0,1]=4 45 B15R1.495 CC(=O)C1=CC=C(C[C@H](N)C(=O)O)C=C1 24756 [0,1,0,0,0,0|2,0,1]=4 46 B15R2.4834 CCC1=CC2=C(C=C1)NC(C(=O)O)=C2 21483 [0,0,0,1,0,0|3,0,0]=4 47 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 22001 [0,0,0,1,0,0|2,0,0]=3 48 B15R2.4834 COC1=CC2=C(C=N1)NC(C(=O)O)=C2 26256 [0,0,0,1,0,0|3,0,0]=4 49 B15R2.4834 COC1=CC=C2C=C(C(=O)O)SC2=C1 20545 [0,0,0,1,0,0|0,1,1]=3 50 B15R2.4834 COC1=CC=C2NC(C(=O)O)=NC2=C1 26281 [0,0,0,1,0,0|2,0,0]=3 51 B15R2.4834 COC1=CC=C2SC(C(=O)O)=CC2=C1 20414 [0,0,0,1,0,0|2,0,0]=3 52 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 25777 [2,0,0,0,0,0|0,0,1]=3 53 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 25775 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 25776 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 05284 [2,0,0,0,0,0|0,0,1]=3 56 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 24940 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.71 COC1=CC=C(CCCO)C=C1 30819 [2,0,0,0,0,0|0,0,2]=4 58 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 30371 [2,0,0,0,0,0|0,0,1]=3 59 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 18055 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 00044 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 27781 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 00710 [2,0,0,0,0,0|1,0,1]=4 63 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 00243 [2,0,0,0,0,0|1,0,1]=4 64 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 00244 [2,0,0,0,0,0|1,0,1]=4 65 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 08027 [2,0,0,0,0,0|0,0,2]=4 66 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 09427 [2,0,0,0,0,0|0,0,2]=4 67 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 08031 [2,0,0,0,0,0|0,0,2]=4 68 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 21660 [2,0,0,0,0,0|0,0,1]=3 69 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 15739 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.2 COC1=NC=C([C@H](N)CC(=O)O)C=C1 15738 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 29284 [1,1,0,0,0,0|0,0,1]=3 72 B14R1.3714 COC(=O)CC1=C(Br)C=C(OC)C=C1 29302 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 14944 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 03159 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 06257 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 03900 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.536 CNC(CC1=CC=C(O)C=C1)C(=O)O 12427 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O 06359 [1,1,0,0,0,0|1,0,1]=4 79 B14R1.686 NC(CC1=CC(F)=C(O)C=C1)C(=O)O 21178 [1,1,0,0,0,0|1,0,1]=4 80 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 04921 [1,1,0,0,0,0|1,0,1]=4 81 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O 05231 [1,1,0,0,0,0|1,0,1]=4 82 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 31891 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.686 N[C@@H](CC1=CC(I)=C(O)C=C1)C(=O)O 00192 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O 32464 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.686 N[C@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O 14370 [1,1,0,0,0,0|1,0,1]=4 86 B14R1.686 N[C@H](CC1=CC(I)=C(O)C=C1)C(=O)O 14369 [1,1,0,0,0,0|1,0,1]=4 87 B14R1.6049 CC1=CC=C(C[C@@H](N)C(=O)O)C(C)=C1 16804 [1,1,0,0,0,0|1,0,1]=4 88 B14R1.6049 CC1=CC=C(C[C@H](N)C(=O)O)C(C)=C1 16805 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O 21696 [1,1,0,0,0,0|1,0,1]=4 90 B16R1.1283 CC(=O)OC1=CC=C(C[C@H](N)C(=O)O)C=C1 06703 [0,2,0,0,0,0|1,0,1]=4 91 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC 07287 [0,2,0,0,0,0|1,0,1]=4 92 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 21266 [1,0,0,1,0,0|0,0,1]=3 93 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CC2 17025 [1,0,0,1,0,0|1,0,1]=4 94 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 21546 [1,0,0,1,0,0|2,0,0]=4 95 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 21566 [1,0,0,1,0,0|2,0,0]=4 96 B16R2.7476 COC1=CC2=C(C=C1)OCC(C(=O)O)C2 17765 [0,0,0,1,0,1|1,0,1]=4 97 B16R2.7604 COC(=O)C1=CC2=C(C=CC(OC)=C2)N1 21315 [0,1,0,1,0,0|2,0,0]=4 98 B16R2.39460 COC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 25644 [0,1,0,1,0,0|0,1,1]=4 99 B16R2.7486 COC1=CC2=C(C=C1)C=C(C(=O)O)CO2 19260 [0,1,0,1,0,0|0,0,2]=4 100 B16R2.7486 COC1=CC2=C(C=C1)CC(C(=O)O)CC2 20543 [0,1,0,1,0,0|1,0,1]=4 101 B16R2.7486 COC1=CC2=C(C=C1)CC(C(=O)O)CO2 20599 [0,1,0,1,0,0|0,0,2]=4 102 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 30862 [1,0,0,0,1,0|1,0,1]=4 103 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 30848 [1,0,0,0,1,0|1,0,1]=4 104 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 24658 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 11758 [1,0,0,0,1,0|1,0,1]=4 106 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O 05125 [1,0,0,0,0,1|1,0,1]=4 107 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O 05126 [1,0,0,0,0,1|1,0,1]=4 108 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 15226 [1,0,0,0,0,1|1,0,1]=4 109 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 15344 [1,0,0,0,0,1|1,0,1]=4 110 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(O)C=C1 15498 [1,0,0,0,0,1|1,0,1]=4 111 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 07240 [0,0,0,0,1,1|1,0,1]=4 112 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 05232 [0,0,0,0,1,1|1,0,1]=4 113 B16R1.5 COC1=CC=C(CSC[C@@H](N)C(=O)O)C=C1 05950 [0,0,0,0,0,2|1,0,1]=4 114 B16R1.5 COC1=CC=C(CSC[C@H](N)C(=O)O)C=C1 03053 [0,0,0,0,0,2|1,0,1]=4