0 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C 7003AA [0,0,0,0,0,0|2,0,0]=2 1 B14R1.686 CC1=CC=C(OC(C)C(=O)O)C=C1C 8404AD [0,0,0,0,0,0|4,0,0]=4 2 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 V0957 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O W8200 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O Y5507 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O 0111AE [1,0,0,0,0,0|3,0,0]=4 6 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O X6269 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O 8891AE [1,0,0,0,0,0|3,0,0]=4 8 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 7688AD [1,0,0,0,0,0|3,0,0]=4 9 B13R1.133 C[C@H](OC1=CC=C(O)C=C1)C(=O)O V2122 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 5562AH [1,0,0,0,0,0|1,0,0]=2 11 B13R1.133 O=C(O)C(F)CC1=CC=C(O)C=C1 7683AB [1,0,0,0,0,0|1,0,0]=2 12 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 1582AB [1,0,0,0,0,0|1,0,0]=2 13 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O 2882AE [1,0,0,0,0,0|3,0,0]=4 14 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 Z3666 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.148 CC1=CC=CC(OC(C)C(=O)O)=C1 8403AD [1,0,0,0,0,0|3,0,0]=4 16 B13R1.148 NC1=CC=CC(CC(N)C(=O)O)=C1 2723AB [1,0,0,0,0,0|1,0,0]=2 17 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Z3664 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O 4562AA [1,0,0,0,0,0|1,0,0]=2 19 B13R1.511 CC(=O)CCC1=CC=C(O)C(O)=C1 W1951 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N 1957AJ [1,0,0,0,0,0|2,0,0]=3 21 B13R1.511 NC(=O)\C=C\C1=CC=C(O)C(O)=C1 W2115 [1,0,0,0,0,0|1,0,2]=4 22 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 5105AC [1,0,0,0,0,0|1,0,0]=2 23 B13R1.511 O=C(O)COC1=CC(Cl)=C(F)C=C1 0415AE [1,0,0,0,0,0|3,0,0]=4 24 B13R1.511 O=C(O)COC1=CC(F)=C(F)C=C1 1806AE [1,0,0,0,0,0|3,0,0]=4 25 B15R1.676 NCC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)O 5774AJ [0,1,0,0,0,0|2,0,0]=3 26 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC(O)=C(O)C=C1 4050AL [0,1,0,0,0,0|0,0,0]=1 27 B15R1.4038 COC1=C(O)C=CC(CC(O)C(=O)O)=C1 Y1257 [0,1,0,0,0,0|1,0,0]=2 28 B15R1.4038 COC1=C(O)C=CC(CC(O)C(=O)[O-])=C1 6530AL [0,1,0,0,0,0|1,0,1]=3 29 B15R1.4038 COC1=CC(CC(N)C(=O)O)=CC=C1O W8326 [0,1,0,0,0,0|0,0,0]=1 30 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(O)C(I)=C1 0891AC [0,1,0,0,0,0|1,0,0]=2 31 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1 Z1685 [0,1,0,0,0,0|0,0,0]=1 32 B15R1.8408 N[C@@H](CC1=CC=C(F)C(F)=C1F)C(=O)O 1208AF [0,1,0,0,0,0|2,0,0]=3 33 B15R1.28955 NC(CC1=CC(F)=C(F)C(F)=C1)C(=O)O 8701AD [0,1,0,0,0,0|2,0,0]=3 34 B15R1.28955 NC(CC1=CC(I)=C(O)C(I)=C1)C(=O)O W7710 [0,1,0,0,0,0|1,0,0]=2 35 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 2834AH [0,0,0,1,0,0|3,0,0]=4 36 B13R1.510 NC(C(=O)O)C1=CC=C(Cl)C(Cl)=C1 5415AJ [0,0,0,0,1,0|2,0,0]=3 37 B13R1.510 NC(C(=O)O)C1=CC=C(F)C(F)=C1 7710AD [0,0,0,0,1,0|2,0,0]=3 38 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [2,0,0,0,0,0|2,0,0]=4 39 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [2,0,0,0,0,0|1,0,1]=4 40 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [2,0,0,0,0,0|2,0,0]=4 41 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [2,0,0,0,0,0|2,0,0]=4 42 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [2,0,0,0,0,0|1,0,1]=4 43 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [2,0,0,0,0,0|0,1,0]=3 44 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [2,0,0,0,0,0|2,0,0]=4 45 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [2,0,0,0,0,0|2,0,0]=4 46 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [2,0,0,0,0,0|2,0,0]=4 47 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [2,0,0,0,0,0|0,0,0]=2 48 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [2,0,0,0,0,0|1,0,0]=3 49 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 9377AA [2,0,0,0,0,0|1,0,0]=3 50 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [2,0,0,0,0,0|1,0,0]=3 51 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O 4348AH [2,0,0,0,0,0|1,0,0]=3 52 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [2,0,0,0,0,0|0,0,1]=3 54 B12R1.49 O=CC(Cl)CC1=CC=C(Cl)C=C1 Y6536 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [2,0,0,0,0,0|2,0,0]=4 56 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [2,0,0,0,0,0|2,0,0]=4 57 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [2,0,0,0,0,0|1,0,0]=3 58 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 V3888 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 9379AB [2,0,0,0,0,0|2,0,0]=4 60 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 Q377 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 Q378 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 1438AB [1,1,0,0,0,0|1,0,0]=3 63 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 1017AA [1,1,0,0,0,0|1,0,0]=3 64 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 E554 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.3 NCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 4019AA [1,1,0,0,0,0|1,0,0]=3 66 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(Cl)C=C1 1885AB [1,1,0,0,0,0|2,0,0]=4 67 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(F)C=C1 9277AA [1,1,0,0,0,0|1,0,0]=3 68 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 6850AJ [1,1,0,0,0,0|2,0,0]=4 69 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O Z5915 [1,1,0,0,0,0|0,0,0]=2 70 B14R1.536 NCC(CC1=CC=C(F)C=C1)C(=O)O 1990AL [1,1,0,0,0,0|1,0,0]=3 71 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O 3551AB [1,1,0,0,0,0|1,0,0]=3 72 B14R1.6049 NC(CC1=CC=C(O)C=C1O)C(=O)O 8625AB [1,1,0,0,0,0|0,0,0]=2 73 B14R1.6049 N[C@H](CC1=C(F)C=C(F)C=C1)C(=O)O 2401AB [1,1,0,0,0,0|1,0,0]=3 74 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O 0425AC [1,1,0,0,0,0|2,0,0]=4 75 B14R1.75 COC1=CC(CC(N)C(=O)O)=CC=C1 1885AC [1,1,0,0,0,0|0,0,0]=2 76 B14R1.75 NCC1=CC(C[C@@H](N)C(=O)O)=CC=C1 3985AA [1,1,0,0,0,0|1,0,0]=3 77 B14R1.135 COC(=O)C(O)CC1=CC=CC(O)=C1 6959AJ [1,1,0,0,0,0|1,0,0]=3 78 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O 3816AC [1,1,0,0,0,0|1,0,0]=3 79 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O Z5644 [1,1,0,0,0,0|1,0,0]=3 80 B14R1.4257 N[C@@H](CC1=CC(I)=CC(I)=C1)C(=O)O W4347 [1,1,0,0,0,0|1,0,0]=3 81 B14R1.4404 C[C@](N)(CC1=CC(Br)=CC=C1)C(=O)O 0613AP [1,1,0,0,0,0|1,0,0]=3 82 B14R1.4474 NC(CC1=C(F)C=CC(F)=C1)C(=O)O 3552AB [1,1,0,0,0,0|1,0,0]=3 83 B14R1.4474 NC(CC1=CC(Cl)=CC=C1Cl)C(=O)O 5445AA [1,1,0,0,0,0|1,0,0]=3 84 B14R1.4474 N[C@@H](CC1=CC(Cl)=CC=C1Cl)C(=O)O Z5967 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.4474 N[C@H](CC1=CC(F)=CC=C1F)C(=O)O 2402AB [1,1,0,0,0,0|1,0,0]=3 86 B14R1.833 NNC(=O)CCC1=CC=C(O)C(O)=C1 2623AE [1,1,0,0,0,0|1,0,0]=3 87 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 7672AD [1,1,0,0,0,0|1,0,0]=3 88 B14R1.6059 O=C(O)\C=C\C1=CC=C(O)C(O)=C1O 3595AD [1,1,0,0,0,0|0,0,2]=4 89 B14R1.15552 CC1=CC(CCC(=O)O)=CC(C)=C1O 5659AJ [1,1,0,0,0,0|1,0,0]=3 90 B14R1.15552 O=C(O)CCC1=CC(Br)=C(O)C(Br)=C1 4066AD [1,1,0,0,0,0|1,0,0]=3 91 B16R1.94545 CC(CC1=CC=C(O)C(O)=C1)(NN)C(=O)O F566 [0,2,0,0,0,0|0,0,0]=2 92 B16R1.1058 NC(CC1=CC([N+](=O)[O-])=C(O)C=C1)C(=O)O 4530AB [0,2,0,0,0,0|0,0,1]=3 93 B14R2.4529 O=C(O)C1CC2=CC(O)=CC=C2O1 2685AA [1,0,0,1,0,0|2,0,0]=4 94 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O W8495 [1,0,0,1,0,0|0,0,2]=4 95 B14R2.4476 O=C(O)C1CC1C2=CC(Cl)=CC=C2 5208AJ [1,0,0,1,0,0|2,0,0]=4 96 B14R2.7969 O=C(O)C1CC2=C(C1)C(O)=CC=C2 8641AA [1,0,0,1,0,0|1,0,0]=3 97 B14R2.4513 O=C1C=CC2=C(O1)C(O)=C(O)C=C2 V0328 [1,0,0,1,0,0|0,0,2]=4 98 B16R2.6257 CC(OC1=CC2=C(C=C1)OCO2)C(=O)O 1454AA [0,1,0,1,0,0|2,0,0]=4 99 B16R2.6257 NC(CC1=CC2=NON=C2C=C1)C(=O)O 0161AF [0,1,0,1,0,0|1,0,0]=3 100 B12R1.20 CC(=O)C(Br)C1=CC=C(O)C=C1 6547AC [1,0,0,0,1,0|2,0,0]=4 101 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 V7421 [1,0,0,0,1,0|1,0,0]=3 102 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 5426AJ [1,0,0,0,1,0|1,0,0]=3 103 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [1,0,0,0,1,0|1,0,0]=3 104 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 Y6551 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.20 O=C(O)C(Br)C1=CC=C(F)C=C1 1179AQ [1,0,0,0,1,0|2,0,0]=4 106 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 Z5112 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.20 O=C([O-])C(O)C1=CC=C(O)C=C1 0691AC [1,0,0,0,1,0|1,0,1]=4 108 B12R1.225 CC(C(=O)O)C1=CC=CC(F)=C1 0039AC [1,0,0,0,1,0|2,0,0]=4 109 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 1119AJ [1,0,0,0,1,0|2,0,0]=4 110 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 6321AD [1,0,0,0,1,0|1,0,0]=3 111 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 5420AJ [1,0,0,0,1,0|1,0,0]=3 112 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 5419AJ [1,0,0,0,1,0|1,0,0]=3 113 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 Z5958 [1,0,0,0,1,0|1,0,0]=3 114 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O Z5698 [1,0,0,0,0,1|0,0,0]=2 115 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 9329AA [1,0,0,0,0,1|1,0,0]=3 116 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 Z5798 [1,0,0,0,0,1|1,0,0]=3 117 B14R1.687 CC1=C(F)C=CC(CCCC(=O)O)=C1 3795AB [1,0,0,0,0,1|2,0,0]=4 118 B14R1.687 O=C(O)CSCC1=CC(Cl)=C(Cl)C=C1 7426AE [1,0,0,0,0,1|2,0,0]=4