#METABOLOMICS WORKBENCH BPnorman_20220928_081002 DATATRACK_ID:3478 STUDY_ID:ST002297 ANALYSIS_ID:AN003753 PROJECT_ID:PR001471
VERSION             	1
CREATED_ON             	September 30, 2022, 8:19 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic analysis in SONIA 2, a phase 3 international randomised-controlled
PR:PROJECT_TITLE                 	trial of nitisinone in alkaptonuria (AKU)
PR:PROJECT_SUMMARY               	Abstract from main SONIA 2 publication: Background Alkaptonuria is a rare,
PR:PROJECT_SUMMARY               	genetic, multisystem disease characterised by the accumulation of homogentisic
PR:PROJECT_SUMMARY               	acid (HGA). No HGA-lowering therapy has been approved to date. The aim of SONIA
PR:PROJECT_SUMMARY               	2 was to investigate the efficacy and safety of once-daily nitisinone for
PR:PROJECT_SUMMARY               	reducing HGA excretion in patients with alkaptonuria and to evaluate whether
PR:PROJECT_SUMMARY               	nitisinone has a clinical benefit. Methods SONIA 2 was a 4-year, open-label,
PR:PROJECT_SUMMARY               	evaluator-blind, randomised, no treatment controlled, parallel-group study done
PR:PROJECT_SUMMARY               	at three sites in the UK, France, and Slovakia. Patients aged 25 years or older
PR:PROJECT_SUMMARY               	with confirmed alkaptonuria and any clinical disease manifestations were
PR:PROJECT_SUMMARY               	randomly assigned (1:1) to receive either oral nitisinone 10 mg daily or no
PR:PROJECT_SUMMARY               	treatment. Patients could not be masked to treatment due to colour changes in
PR:PROJECT_SUMMARY               	the urine, but the study was evaluator-blinded as far as possible. The primary
PR:PROJECT_SUMMARY               	endpoint was daily urinary HGA excretion (u-HGA24) after 12 months. Clinical
PR:PROJECT_SUMMARY               	evaluation Alkaptonuria Severity Score Index (cAKUSSI) score was assessed at 12,
PR:PROJECT_SUMMARY               	24, 36, and 48 months. Efficacy variables were analysed in all randomly assigned
PR:PROJECT_SUMMARY               	patients with a valid u-HGA24 measurement at baseline. Safety variables were
PR:PROJECT_SUMMARY               	analysed in all randomly assigned patients. The study was registered at
PR:PROJECT_SUMMARY               	ClinicalTrials.gov (NCT01916382). Findings Between May 7, 2014, and Feb 16,
PR:PROJECT_SUMMARY               	2015, 139 patients were screened, of whom 138 were included in the study, with
PR:PROJECT_SUMMARY               	69 patients randomly assigned to each group. 55 patients in the nitisinone group
PR:PROJECT_SUMMARY               	and 53 in the control group completed the study. u-HGA24 at 12 months was
PR:PROJECT_SUMMARY               	significantly decreased by 99·7% in the nitisinone group compared with the
PR:PROJECT_SUMMARY               	control group (adjusted geometric mean ratio of nitisinone/control 0·003 [95%
PR:PROJECT_SUMMARY               	CI 0·003 to 0·004], p<0·0001). At 48 months, the increase in cAKUSSI score
PR:PROJECT_SUMMARY               	from baseline was significantly lower in the nitisinone group compared with the
PR:PROJECT_SUMMARY               	control group (adjusted mean difference –8·6 points [–16·0 to –1·2],
PR:PROJECT_SUMMARY               	p=0·023). 400 adverse events occurred in 59 (86%) patients in the nitisinone
PR:PROJECT_SUMMARY               	group and 284 events occurred in 57 (83%) patients in the control group. No
PR:PROJECT_SUMMARY               	treatment-related deaths occurred. Interpretation Nitisinone 10 mg daily was
PR:PROJECT_SUMMARY               	well tolerated and effective in reducing urinary excretion of HGA. Nitisinone
PR:PROJECT_SUMMARY               	decreased ochronosis and improved clinical signs, indicating a slower disease
PR:PROJECT_SUMMARY               	progression.
PR:INSTITUTE                     	University of Liverpool Institute of Life Course & Medical Sciences
PR:DEPARTMENT                    	Department of Musculoskeletal & Ageing Science
PR:LAST_NAME                     	Brendan
PR:FIRST_NAME                    	Norman
PR:ADDRESS                       	William Henry Duncan Building, 6 West Derby Street, Liverpool, UK. L7 8TX
PR:EMAIL                         	bnorman@liverpool.ac.uk
PR:PHONE                         	+447809606497
PR:FUNDING_SOURCE                	European Commission for the Framework 7 grant award (DevelopAKUre, project
PR:FUNDING_SOURCE                	number: 304985), Alkaptonuria Society (BPN is funded by the Alkaptonuria Society
PR:FUNDING_SOURCE                	through a Sireau Fellowship Award).
#STUDY
ST:STUDY_TITLE                   	Comprehensive biotransformation analysis of phenylalanine-tyrosine metabolism
ST:STUDY_TITLE                   	reveals alternative routes of metabolite clearance in nitisinone-treated
ST:STUDY_TITLE                   	alkaptonuria (Urine metabolomic analysis)
ST:STUDY_SUMMARY                 	Background: Metabolomic analyses in alkaptonuria (AKU) have recently revealed
ST:STUDY_SUMMARY                 	alternative pathways in phenylalanine-tyrosine (phe-tyr) metabolism from
ST:STUDY_SUMMARY                 	biotransformation of homo-gentisic acid (HGA), the active molecule in this
ST:STUDY_SUMMARY                 	disease. The aim of this research was to study the phe-tyr metabolic pathway and
ST:STUDY_SUMMARY                 	whether the metabolites upstream of HGA, increased in nitisinone-treated
ST:STUDY_SUMMARY                 	patients, also undergo phase 1 and 2 biotransformation reactions. Methods:
ST:STUDY_SUMMARY                 	Metabolomic analyses were performed on serum and urine from patients partaking
ST:STUDY_SUMMARY                 	in the SONIA 2 phase 3 international randomised-controlled trial of nitisinone
ST:STUDY_SUMMARY                 	in AKU (EudraCT no. 2013-001633-41). Serum and urine samples were taken from the
ST:STUDY_SUMMARY                 	same patients at baseline (pre-nitisinone) then at 24 and 48 months on
ST:STUDY_SUMMARY                 	nitisinone treatment (patients N = 47 serum; 53 urine) or no treatment (patients
ST:STUDY_SUMMARY                 	N = 45 serum; 50 urine). Targeted feature extraction was per-formed to
ST:STUDY_SUMMARY                 	specifically mine data for the entire complement of theoretically predicted
ST:STUDY_SUMMARY                 	phase 1 and 2 biotransformation products derived from phenylalanine, tyrosine,
ST:STUDY_SUMMARY                 	4-hydroxyphenylpyruvic acid and 4-hydroxyphenyllactic acid, in addition to
ST:STUDY_SUMMARY                 	phenylalanine-derived metabolites with known increases in phenylketonuria.
ST:STUDY_SUMMARY                 	Results: In total, we ob-served 13 phase 1 and 2 biotransformation products from
ST:STUDY_SUMMARY                 	phenylalanine through to HGA. Each of these products were observed in urine and
ST:STUDY_SUMMARY                 	two were detected in serum. The derivatives of the metabolites upstream of HGA
ST:STUDY_SUMMARY                 	were markedly increased in urine of nitisinone-treated patients (fold change
ST:STUDY_SUMMARY                 	1.2-16.2) and increases in 12 of these compounds were directly proportional to
ST:STUDY_SUMMARY                 	the degree of nitisinone-induced hypertyrosinaemia (correlation coefficient with
ST:STUDY_SUMMARY                 	serum tyrosine = 0.2-0.7). Increases in the urinary phenylalanine metabolites
ST:STUDY_SUMMARY                 	were also observed across consecutive visits in the treated group. Conclusions:
ST:STUDY_SUMMARY                 	Nitisinone treatment results in marked increases in a wider network of phe-tyr
ST:STUDY_SUMMARY                 	metabolites than shown before. This network comprises alternative
ST:STUDY_SUMMARY                 	biotransformation products from the major metabolites of this pathway, produced
ST:STUDY_SUMMARY                 	by reactions including hydration (phase 1) and bioconjugation (phase 2) of
ST:STUDY_SUMMARY                 	acetyl, methyl, acetylcysteine, glucuronide, glycine and sulfate groups. We
ST:STUDY_SUMMARY                 	propose that these alternative routes of phe-tyr metabolism, predominantly in
ST:STUDY_SUMMARY                 	urine, minimise tyrosinaemia as well as phenylalanaemia.
ST:INSTITUTE                     	University of Liverpool Institute of Life Course & Medical Sciences
ST:DEPARTMENT                    	Department of Musculoskeletal & Ageing Science
ST:LAST_NAME                     	Brendan
ST:FIRST_NAME                    	Norman
ST:ADDRESS                       	William Henry Duncan Building, 6 West Derby Street, Liverpool, UK. L7 8TX
ST:EMAIL                         	bnorman@liverpool.ac.uk
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	103
ST:NUM_MALES                     	65
ST:NUM_FEMALES                   	38
ST:STUDY_TYPE                    	Urine metabolomic analysis (study 2 of 2)
ST:PHONE                         	+447809606497
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	F01	F01_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=7.1; sTyr groups=1) <701; RAW_FILE_NAME=F01_V1
SUBJECT_SAMPLE_FACTORS           	F01	F01_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6.3; sTyr groups=3) 901-1100; RAW_FILE_NAME=F01_V4
SUBJECT_SAMPLE_FACTORS           	F01	F01_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=2.5; sTyr groups=3) 901-1100; RAW_FILE_NAME=F01_V6
SUBJECT_SAMPLE_FACTORS           	F02	F02_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.9; sTyr groups=None; RAW_FILE_NAME=F02_V1
SUBJECT_SAMPLE_FACTORS           	F02	F02_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=12.2; sTyr groups=None; RAW_FILE_NAME=F02_V4
SUBJECT_SAMPLE_FACTORS           	F02	F02_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.5; sTyr groups=None; RAW_FILE_NAME=F2_V6
SUBJECT_SAMPLE_FACTORS           	F03	F03_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=15; sTyr groups=None; RAW_FILE_NAME=F03_V1
SUBJECT_SAMPLE_FACTORS           	F03	F03_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.8; sTyr groups=None; RAW_FILE_NAME=F03_V4
SUBJECT_SAMPLE_FACTORS           	F03	F03_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11; sTyr groups=None; RAW_FILE_NAME=F03_V6
SUBJECT_SAMPLE_FACTORS           	F04	F04_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.5; sTyr groups=1) <701; RAW_FILE_NAME=F04_V1
SUBJECT_SAMPLE_FACTORS           	F04	F04_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.3; sTyr groups=2) 701-900; RAW_FILE_NAME=F04_V4
SUBJECT_SAMPLE_FACTORS           	F04	F04_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.4; sTyr groups=1) <701; RAW_FILE_NAME=F04_V6
SUBJECT_SAMPLE_FACTORS           	F05	F05_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.5; sTyr groups=1) <701; RAW_FILE_NAME=F05_V1
SUBJECT_SAMPLE_FACTORS           	F05	F05_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=F05_V4
SUBJECT_SAMPLE_FACTORS           	F05	F05_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.1; sTyr groups=4) >1100; RAW_FILE_NAME=F05_V6
SUBJECT_SAMPLE_FACTORS           	F06	F06_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.9; sTyr groups=None; RAW_FILE_NAME=F06_V1
SUBJECT_SAMPLE_FACTORS           	F06	F06_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=19.5; sTyr groups=None; RAW_FILE_NAME=F06_V4
SUBJECT_SAMPLE_FACTORS           	F06	F06_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4.9; sTyr groups=None; RAW_FILE_NAME=F06_V6
SUBJECT_SAMPLE_FACTORS           	F07	F07_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.3; sTyr groups=None; RAW_FILE_NAME=F07_V1
SUBJECT_SAMPLE_FACTORS           	F07	F07_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=7.7; sTyr groups=None; RAW_FILE_NAME=F07_V4
SUBJECT_SAMPLE_FACTORS           	F07	F07_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=2.9; sTyr groups=None; RAW_FILE_NAME=F07_V6
SUBJECT_SAMPLE_FACTORS           	F08	F08_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=13.3; sTyr groups=1) <701; RAW_FILE_NAME=F08_V1
SUBJECT_SAMPLE_FACTORS           	F08	F08_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=15.8; sTyr groups=4) >1100; RAW_FILE_NAME=F08_V4
SUBJECT_SAMPLE_FACTORS           	F08	F08_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=15.9; sTyr groups=3) 901-1100; RAW_FILE_NAME=F08_V6
SUBJECT_SAMPLE_FACTORS           	F09	F09_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.8; sTyr groups=1) <701; RAW_FILE_NAME=F09_V1
SUBJECT_SAMPLE_FACTORS           	F09	F09_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=5.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F09_V4
SUBJECT_SAMPLE_FACTORS           	F09	F09_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.3; sTyr groups=2) 701-900; RAW_FILE_NAME=F09_V6
SUBJECT_SAMPLE_FACTORS           	F10	F10_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.1; sTyr groups=None; RAW_FILE_NAME=F10_V1
SUBJECT_SAMPLE_FACTORS           	F10	F10_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=5.5; sTyr groups=None; RAW_FILE_NAME=F10_V4
SUBJECT_SAMPLE_FACTORS           	F10	F10_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=3.6; sTyr groups=None; RAW_FILE_NAME=F10_V6
SUBJECT_SAMPLE_FACTORS           	F11	F11_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.8; sTyr groups=1) <701; RAW_FILE_NAME=F11_V1
SUBJECT_SAMPLE_FACTORS           	F11	F11_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6; sTyr groups=4) >1100; RAW_FILE_NAME=F11_V4
SUBJECT_SAMPLE_FACTORS           	F11	F11_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6; sTyr groups=2) 701-900; RAW_FILE_NAME=F11_V6
SUBJECT_SAMPLE_FACTORS           	F12	F12_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.5; sTyr groups=None; RAW_FILE_NAME=F12_V1
SUBJECT_SAMPLE_FACTORS           	F12	F12_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=5; sTyr groups=None; RAW_FILE_NAME=F12_V4
SUBJECT_SAMPLE_FACTORS           	F12	F12_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.25; sTyr groups=None; RAW_FILE_NAME=F12_V6
SUBJECT_SAMPLE_FACTORS           	F13	F13_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.7; sTyr groups=None; RAW_FILE_NAME=F13_V1
SUBJECT_SAMPLE_FACTORS           	F13	F13_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10.8; sTyr groups=None; RAW_FILE_NAME=F13_V4
SUBJECT_SAMPLE_FACTORS           	F13	F13_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=6.6; sTyr groups=None; RAW_FILE_NAME=F13_V6
SUBJECT_SAMPLE_FACTORS           	F14	F14_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.3; sTyr groups=None; RAW_FILE_NAME=F14_V1
SUBJECT_SAMPLE_FACTORS           	F14	F14_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=24.7; sTyr groups=None; RAW_FILE_NAME=F14_V4
SUBJECT_SAMPLE_FACTORS           	F14	F14_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=6.4; sTyr groups=None; RAW_FILE_NAME=F14_V6
SUBJECT_SAMPLE_FACTORS           	F15	F15_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=5.6; sTyr groups=1) <701; RAW_FILE_NAME=F15_V1
SUBJECT_SAMPLE_FACTORS           	F15	F15_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=7.9; sTyr groups=4) >1100; RAW_FILE_NAME=F15_V4
SUBJECT_SAMPLE_FACTORS           	F15	F15_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=3.8; sTyr groups=4) >1100; RAW_FILE_NAME=F15_V6
SUBJECT_SAMPLE_FACTORS           	F16	F16_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=4.3; sTyr groups=1) <701; RAW_FILE_NAME=F16_V1
SUBJECT_SAMPLE_FACTORS           	F16	F16_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.8; sTyr groups=3) 901-1100; RAW_FILE_NAME=F16_V4
SUBJECT_SAMPLE_FACTORS           	F16	F16_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=2.4; sTyr groups=3) 901-1100; RAW_FILE_NAME=F16_V6
SUBJECT_SAMPLE_FACTORS           	F17	F17_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.5; sTyr groups=1) <701; RAW_FILE_NAME=F17_V1
SUBJECT_SAMPLE_FACTORS           	F17	F17_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=2.5; sTyr groups=3) 901-1100; RAW_FILE_NAME=F17_V4
SUBJECT_SAMPLE_FACTORS           	F17	F17_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=5.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F17_V6
SUBJECT_SAMPLE_FACTORS           	F18	F18_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=6.5; sTyr groups=None; RAW_FILE_NAME=F18_V1
SUBJECT_SAMPLE_FACTORS           	F18	F18_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.4; sTyr groups=None; RAW_FILE_NAME=F18_V4
SUBJECT_SAMPLE_FACTORS           	F18	F18_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=1.6; sTyr groups=None; RAW_FILE_NAME=F18_V6
SUBJECT_SAMPLE_FACTORS           	F20	F20_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.3; sTyr groups=1) <701; RAW_FILE_NAME=F20_V1
SUBJECT_SAMPLE_FACTORS           	F20	F20_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=3.6; sTyr groups=4) >1100; RAW_FILE_NAME=F20_V4
SUBJECT_SAMPLE_FACTORS           	F20	F20_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=4.6; sTyr groups=4) >1100; RAW_FILE_NAME=F20_V6
SUBJECT_SAMPLE_FACTORS           	F21	F21_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=14.9; sTyr groups=None; RAW_FILE_NAME=F21_V1
SUBJECT_SAMPLE_FACTORS           	F21	F21_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10.9; sTyr groups=None; RAW_FILE_NAME=F21_V4
SUBJECT_SAMPLE_FACTORS           	F21	F21_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.2; sTyr groups=None; RAW_FILE_NAME=F21_V6
SUBJECT_SAMPLE_FACTORS           	F23	F23_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.2; sTyr groups=None; RAW_FILE_NAME=F23_V1
SUBJECT_SAMPLE_FACTORS           	F23	F23_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=7.85; sTyr groups=None; RAW_FILE_NAME=F23_V4
SUBJECT_SAMPLE_FACTORS           	F23	F23_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.5; sTyr groups=None; RAW_FILE_NAME=F23_V6
SUBJECT_SAMPLE_FACTORS           	F24	F24_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.1; sTyr groups=1) <701; RAW_FILE_NAME=F24_V1
SUBJECT_SAMPLE_FACTORS           	F24	F24_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=9.6; sTyr groups=2) 701-900; RAW_FILE_NAME=F24_V4
SUBJECT_SAMPLE_FACTORS           	F24	F24_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=5.8; sTyr groups=2) 701-900; RAW_FILE_NAME=F24_V6
SUBJECT_SAMPLE_FACTORS           	F25	F25_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=10.6; sTyr groups=None; RAW_FILE_NAME=F25_V1
SUBJECT_SAMPLE_FACTORS           	F25	F25_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=21.6; sTyr groups=None; RAW_FILE_NAME=F25_V4
SUBJECT_SAMPLE_FACTORS           	F25	F25_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.9; sTyr groups=None; RAW_FILE_NAME=F25_V6
SUBJECT_SAMPLE_FACTORS           	F26	F26_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.3; sTyr groups=1) <701; RAW_FILE_NAME=F26_V1
SUBJECT_SAMPLE_FACTORS           	F26	F26_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=15.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F26_V4
SUBJECT_SAMPLE_FACTORS           	F26	F26_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6.2; sTyr groups=3) 901-1100; RAW_FILE_NAME=F26_V6
SUBJECT_SAMPLE_FACTORS           	F29	F29_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12; sTyr groups=1) <701; RAW_FILE_NAME=F29_V1
SUBJECT_SAMPLE_FACTORS           	F29	F29_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F29_V4
SUBJECT_SAMPLE_FACTORS           	F29	F29_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6.7; sTyr groups=2) 701-900; RAW_FILE_NAME=F29_V6
SUBJECT_SAMPLE_FACTORS           	F31	F31_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.4; sTyr groups=1) <701; RAW_FILE_NAME=F31_V1
SUBJECT_SAMPLE_FACTORS           	F31	F31_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=14.3; sTyr groups=1) <701; RAW_FILE_NAME=F31_V4
SUBJECT_SAMPLE_FACTORS           	F31	F31_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11; sTyr groups=1) <701; RAW_FILE_NAME=F31_V6
SUBJECT_SAMPLE_FACTORS           	F32	F32_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=7.7; sTyr groups=1) <701; RAW_FILE_NAME=F32_V1
SUBJECT_SAMPLE_FACTORS           	F32	F32_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=14.1; sTyr groups=2) 701-900; RAW_FILE_NAME=F32_V4
SUBJECT_SAMPLE_FACTORS           	F32	F32_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=2.4; sTyr groups=2) 701-900; RAW_FILE_NAME=F32_V6
SUBJECT_SAMPLE_FACTORS           	L01	L01_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.7; sTyr groups=None; RAW_FILE_NAME=L01_V1
SUBJECT_SAMPLE_FACTORS           	L01	L01_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.8; sTyr groups=None; RAW_FILE_NAME=L01_V4
SUBJECT_SAMPLE_FACTORS           	L01	L01_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=10; sTyr groups=None; RAW_FILE_NAME=L01_V6
SUBJECT_SAMPLE_FACTORS           	L03	L03_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.9; sTyr groups=None; RAW_FILE_NAME=L03_V1
SUBJECT_SAMPLE_FACTORS           	L03	L03_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10.7; sTyr groups=None; RAW_FILE_NAME=L3_V4
SUBJECT_SAMPLE_FACTORS           	L03	L03_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.6; sTyr groups=None; RAW_FILE_NAME=L03_V6
SUBJECT_SAMPLE_FACTORS           	L06	L06_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.9; sTyr groups=1) <701; RAW_FILE_NAME=L06_V1
SUBJECT_SAMPLE_FACTORS           	L06	L06_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=7.3; sTyr groups=1) <701; RAW_FILE_NAME=L06_V4
SUBJECT_SAMPLE_FACTORS           	L06	L06_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=3.4; sTyr groups=4) >1100; RAW_FILE_NAME=L06_V6
SUBJECT_SAMPLE_FACTORS           	L07	L07_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.8; sTyr groups=1) <701; RAW_FILE_NAME=L07_V1
SUBJECT_SAMPLE_FACTORS           	L07	L07_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6.5; sTyr groups=3) 901-1100; RAW_FILE_NAME=L07_V4
SUBJECT_SAMPLE_FACTORS           	L07	L07_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=L07_V6
SUBJECT_SAMPLE_FACTORS           	L08	L08_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.8; sTyr groups=1) <701; RAW_FILE_NAME=L08_V1
SUBJECT_SAMPLE_FACTORS           	L08	L08_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=11.4; sTyr groups=1) <701; RAW_FILE_NAME=L08_V4
SUBJECT_SAMPLE_FACTORS           	L08	L08_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.3; sTyr groups=1) <701; RAW_FILE_NAME=L08_V6
SUBJECT_SAMPLE_FACTORS           	L09	L09_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=4.5; sTyr groups=None; RAW_FILE_NAME=L09_V1
SUBJECT_SAMPLE_FACTORS           	L09	L09_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=6; sTyr groups=None; RAW_FILE_NAME=L09_V4
SUBJECT_SAMPLE_FACTORS           	L09	L09_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.5; sTyr groups=None; RAW_FILE_NAME=L09_V6
SUBJECT_SAMPLE_FACTORS           	L10	L10_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.2; sTyr groups=1) <701; RAW_FILE_NAME=L10_V1
SUBJECT_SAMPLE_FACTORS           	L10	L10_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=6.6; sTyr groups=2) 701-900; RAW_FILE_NAME=L10_V4
SUBJECT_SAMPLE_FACTORS           	L10	L10_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.4; sTyr groups=3) 901-1100; RAW_FILE_NAME=L10_V6
SUBJECT_SAMPLE_FACTORS           	L11	L11_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.1; sTyr groups=None; RAW_FILE_NAME=L11_V1
SUBJECT_SAMPLE_FACTORS           	L11	L11_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=6.6; sTyr groups=None; RAW_FILE_NAME=L11_V4
SUBJECT_SAMPLE_FACTORS           	L11	L11_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4.7; sTyr groups=None; RAW_FILE_NAME=L11_V6
SUBJECT_SAMPLE_FACTORS           	L12	L12_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.4; sTyr groups=1) <701; RAW_FILE_NAME=L12_V1
SUBJECT_SAMPLE_FACTORS           	L12	L12_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=11.2; sTyr groups=2) 701-900; RAW_FILE_NAME=L12_V4
SUBJECT_SAMPLE_FACTORS           	L12	L12_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.6; sTyr groups=3) 901-1100; RAW_FILE_NAME=L12_V6
SUBJECT_SAMPLE_FACTORS           	L13	L13_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=10.2; sTyr groups=None; RAW_FILE_NAME=L13_V1
SUBJECT_SAMPLE_FACTORS           	L13	L13_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=6.4; sTyr groups=None; RAW_FILE_NAME=L13_V4
SUBJECT_SAMPLE_FACTORS           	L13	L13_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7; sTyr groups=None; RAW_FILE_NAME=L13_V6
SUBJECT_SAMPLE_FACTORS           	L14	L14_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.2; sTyr groups=1) <701; RAW_FILE_NAME=L14_V1
SUBJECT_SAMPLE_FACTORS           	L14	L14_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.5; sTyr groups=2) 701-900; RAW_FILE_NAME=L14_V4
SUBJECT_SAMPLE_FACTORS           	L14	L14_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.9; sTyr groups=2) 701-900; RAW_FILE_NAME=L14_V6
SUBJECT_SAMPLE_FACTORS           	L15	L15_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.2; sTyr groups=None; RAW_FILE_NAME=L15_V1
SUBJECT_SAMPLE_FACTORS           	L15	L15_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.3; sTyr groups=None; RAW_FILE_NAME=L15_V4
SUBJECT_SAMPLE_FACTORS           	L15	L15_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.6; sTyr groups=None; RAW_FILE_NAME=L15_V6
SUBJECT_SAMPLE_FACTORS           	L16	L16_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.3; sTyr groups=1) <701; RAW_FILE_NAME=L16_V1
SUBJECT_SAMPLE_FACTORS           	L16	L16_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=11.2; sTyr groups=3) 901-1100; RAW_FILE_NAME=L16_V4
SUBJECT_SAMPLE_FACTORS           	L16	L16_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=L16_V6
SUBJECT_SAMPLE_FACTORS           	L17	L17_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.7; sTyr groups=None; RAW_FILE_NAME=L17_V1
SUBJECT_SAMPLE_FACTORS           	L17	L17_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.5; sTyr groups=None; RAW_FILE_NAME=L17_V4
SUBJECT_SAMPLE_FACTORS           	L17	L17_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.2; sTyr groups=None; RAW_FILE_NAME=L17_V6
SUBJECT_SAMPLE_FACTORS           	L18	L18_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.5; sTyr groups=1) <701; RAW_FILE_NAME=L18_V1
SUBJECT_SAMPLE_FACTORS           	L18	L18_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.5; sTyr groups=3) 901-1100; RAW_FILE_NAME=L18_V4
SUBJECT_SAMPLE_FACTORS           	L18	L18_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=10.6; sTyr groups=3) 901-1100; RAW_FILE_NAME=L18_V6
SUBJECT_SAMPLE_FACTORS           	L21	L21_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.6; sTyr groups=None; RAW_FILE_NAME=L21_V1
SUBJECT_SAMPLE_FACTORS           	L21	L21_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.9; sTyr groups=None; RAW_FILE_NAME=L21_V4
SUBJECT_SAMPLE_FACTORS           	L21	L21_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=6.8; sTyr groups=None; RAW_FILE_NAME=L21_V6
SUBJECT_SAMPLE_FACTORS           	L22	L22_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.4; sTyr groups=1) <701; RAW_FILE_NAME=L22_V1
SUBJECT_SAMPLE_FACTORS           	L22	L22_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.5; sTyr groups=1) <701; RAW_FILE_NAME=L22_V4
SUBJECT_SAMPLE_FACTORS           	L22	L22_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=4.3; sTyr groups=1) <701; RAW_FILE_NAME=L22_V6
SUBJECT_SAMPLE_FACTORS           	L23	L23_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.2; sTyr groups=None; RAW_FILE_NAME=L23_V1
SUBJECT_SAMPLE_FACTORS           	L23	L23_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=8.3; sTyr groups=None; RAW_FILE_NAME=L23_V4
SUBJECT_SAMPLE_FACTORS           	L23	L23_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=3.4; sTyr groups=None; RAW_FILE_NAME=L23_V6
SUBJECT_SAMPLE_FACTORS           	L24	L24_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.1; sTyr groups=None; RAW_FILE_NAME=L24_V1
SUBJECT_SAMPLE_FACTORS           	L24	L24_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.4; sTyr groups=None; RAW_FILE_NAME=L24_V4
SUBJECT_SAMPLE_FACTORS           	L24	L24_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.7; sTyr groups=None; RAW_FILE_NAME=L24_V6
SUBJECT_SAMPLE_FACTORS           	L28	L28_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.9; sTyr groups=1) <701; RAW_FILE_NAME=L28_V1
SUBJECT_SAMPLE_FACTORS           	L28	L28_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.3; sTyr groups=4) >1100; RAW_FILE_NAME=L28_V4
SUBJECT_SAMPLE_FACTORS           	L28	L28_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.9; sTyr groups=4) >1100; RAW_FILE_NAME=L28_V6
SUBJECT_SAMPLE_FACTORS           	L29	L29_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=7.7; sTyr groups=None; RAW_FILE_NAME=L29_V1
SUBJECT_SAMPLE_FACTORS           	L29	L29_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9; sTyr groups=None; RAW_FILE_NAME=L29_V4
SUBJECT_SAMPLE_FACTORS           	L29	L29_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.5; sTyr groups=None; RAW_FILE_NAME=L29_V6
SUBJECT_SAMPLE_FACTORS           	L30	L30_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=11.6; sTyr groups=1) <701; RAW_FILE_NAME=L30_V1
SUBJECT_SAMPLE_FACTORS           	L30	L30_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=L30_V4
SUBJECT_SAMPLE_FACTORS           	L30	L30_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7; sTyr groups=4) >1100; RAW_FILE_NAME=L30_V6
SUBJECT_SAMPLE_FACTORS           	L31	L31_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=6.9; sTyr groups=None; RAW_FILE_NAME=L31_V1
SUBJECT_SAMPLE_FACTORS           	L31	L31_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=5.6; sTyr groups=None; RAW_FILE_NAME=L31_V4
SUBJECT_SAMPLE_FACTORS           	L31	L31_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=3.4; sTyr groups=None; RAW_FILE_NAME=L31_V6
SUBJECT_SAMPLE_FACTORS           	L33	L33_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.7; sTyr groups=1) <701; RAW_FILE_NAME=L33_V1
SUBJECT_SAMPLE_FACTORS           	L33	L33_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.3; sTyr groups=2) 701-900; RAW_FILE_NAME=L33_V4
SUBJECT_SAMPLE_FACTORS           	L33	L33_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=5.2; sTyr groups=2) 701-900; RAW_FILE_NAME=L33_V6
SUBJECT_SAMPLE_FACTORS           	L35	L35_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=13.9; sTyr groups=1) <701; RAW_FILE_NAME=L35_V1
SUBJECT_SAMPLE_FACTORS           	L35	L35_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=9.8; sTyr groups=1) <701; RAW_FILE_NAME=L35_V4
SUBJECT_SAMPLE_FACTORS           	L35	L35_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7.4; sTyr groups=1) <701; RAW_FILE_NAME=L35_V6
SUBJECT_SAMPLE_FACTORS           	L37	L37_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.7; sTyr groups=None; RAW_FILE_NAME=L37_V1
SUBJECT_SAMPLE_FACTORS           	L37	L37_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.6; sTyr groups=None; RAW_FILE_NAME=L37_V4
SUBJECT_SAMPLE_FACTORS           	L37	L37_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11.7; sTyr groups=None; RAW_FILE_NAME=L37_V6
SUBJECT_SAMPLE_FACTORS           	L38	L38_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=7.5; sTyr groups=None; RAW_FILE_NAME=L38_V1
SUBJECT_SAMPLE_FACTORS           	L38	L38_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.5; sTyr groups=None; RAW_FILE_NAME=L38_V4
SUBJECT_SAMPLE_FACTORS           	L38	L38_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4.7; sTyr groups=None; RAW_FILE_NAME=L38_V6
SUBJECT_SAMPLE_FACTORS           	L40	L40_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.5; sTyr groups=1) <701; RAW_FILE_NAME=L40_V1
SUBJECT_SAMPLE_FACTORS           	L40	L40_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=14.3; sTyr groups=1) <701; RAW_FILE_NAME=L40_V4
SUBJECT_SAMPLE_FACTORS           	L40	L40_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11; sTyr groups=2) 701-900; RAW_FILE_NAME=L40_V6
SUBJECT_SAMPLE_FACTORS           	P01	P01_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.4; sTyr groups=None; RAW_FILE_NAME=P01_V1
SUBJECT_SAMPLE_FACTORS           	P01	P01_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.5; sTyr groups=None; RAW_FILE_NAME=P01_V4
SUBJECT_SAMPLE_FACTORS           	P01	P01_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=10.9; sTyr groups=None; RAW_FILE_NAME=P01_V6
SUBJECT_SAMPLE_FACTORS           	P02	P02_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.3; sTyr groups=1) <701; RAW_FILE_NAME=P02_V1
SUBJECT_SAMPLE_FACTORS           	P02	P02_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.1; sTyr groups=3) 901-1100; RAW_FILE_NAME=P02_V4
SUBJECT_SAMPLE_FACTORS           	P02	P02_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=5; sTyr groups=2) 701-900; RAW_FILE_NAME=P02_V6
SUBJECT_SAMPLE_FACTORS           	P03	P03_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.6; sTyr groups=1) <701; RAW_FILE_NAME=P03_V1
SUBJECT_SAMPLE_FACTORS           	P03	P03_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=17.6; sTyr groups=2) 701-900; RAW_FILE_NAME=P03_V4
SUBJECT_SAMPLE_FACTORS           	P03	P03_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=14.3; sTyr groups=2) 701-900; RAW_FILE_NAME=P03_V6
SUBJECT_SAMPLE_FACTORS           	P05	P05_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=10.1; sTyr groups=None; RAW_FILE_NAME=P05_V1
SUBJECT_SAMPLE_FACTORS           	P05	P05_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.6; sTyr groups=None; RAW_FILE_NAME=P05_V4
SUBJECT_SAMPLE_FACTORS           	P05	P05_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=5.6; sTyr groups=None; RAW_FILE_NAME=P05_V6
SUBJECT_SAMPLE_FACTORS           	P06	P06_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.5; sTyr groups=None; RAW_FILE_NAME=P06_V1
SUBJECT_SAMPLE_FACTORS           	P06	P06_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=12.7; sTyr groups=None; RAW_FILE_NAME=P06_V4
SUBJECT_SAMPLE_FACTORS           	P06	P06_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11.1; sTyr groups=None; RAW_FILE_NAME=P06_V6
SUBJECT_SAMPLE_FACTORS           	P07	P07_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.4; sTyr groups=1) <701; RAW_FILE_NAME=P07_V1
SUBJECT_SAMPLE_FACTORS           	P07	P07_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.7; sTyr groups=3) 901-1100; RAW_FILE_NAME=P07_V4
SUBJECT_SAMPLE_FACTORS           	P07	P07_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7; sTyr groups=2) 701-900; RAW_FILE_NAME=P07_V6
SUBJECT_SAMPLE_FACTORS           	P09	P09_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.6; sTyr groups=None; RAW_FILE_NAME=P09_V1
SUBJECT_SAMPLE_FACTORS           	P09	P09_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.3; sTyr groups=None; RAW_FILE_NAME=P09_V4
SUBJECT_SAMPLE_FACTORS           	P09	P09_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=12; sTyr groups=None; RAW_FILE_NAME=P09_V6
SUBJECT_SAMPLE_FACTORS           	P11	P11_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.2; sTyr groups=1) <701; RAW_FILE_NAME=P11_V1
SUBJECT_SAMPLE_FACTORS           	P11	P11_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.6; sTyr groups=3) 901-1100; RAW_FILE_NAME=P11_V4
SUBJECT_SAMPLE_FACTORS           	P11	P11_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=12.2; sTyr groups=3) 901-1100; RAW_FILE_NAME=P11_V6
SUBJECT_SAMPLE_FACTORS           	P12	P12_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=14.1; sTyr groups=None; RAW_FILE_NAME=P12_V1
SUBJECT_SAMPLE_FACTORS           	P12	P12_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.4; sTyr groups=None; RAW_FILE_NAME=P12_V4
SUBJECT_SAMPLE_FACTORS           	P12	P12_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=15.8; sTyr groups=None; RAW_FILE_NAME=P12_V6
SUBJECT_SAMPLE_FACTORS           	P13	P13_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.3; sTyr groups=None; RAW_FILE_NAME=P13_V1
SUBJECT_SAMPLE_FACTORS           	P13	P13_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.7; sTyr groups=None; RAW_FILE_NAME=P13_V4
SUBJECT_SAMPLE_FACTORS           	P13	P13_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=7.4; sTyr groups=None; RAW_FILE_NAME=P13_V6
SUBJECT_SAMPLE_FACTORS           	P15	P15_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=15.1; sTyr groups=1) <701; RAW_FILE_NAME=P15_V1
SUBJECT_SAMPLE_FACTORS           	P15	P15_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.3; sTyr groups=1) <701; RAW_FILE_NAME=P15_V4
SUBJECT_SAMPLE_FACTORS           	P15	P15_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=15.7; sTyr groups=1) <701; RAW_FILE_NAME=P15_V6
SUBJECT_SAMPLE_FACTORS           	P16	P16_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=8.5; sTyr groups=None; RAW_FILE_NAME=P16_V1
SUBJECT_SAMPLE_FACTORS           	P16	P16_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10.3; sTyr groups=None; RAW_FILE_NAME=P16_V4
SUBJECT_SAMPLE_FACTORS           	P16	P16_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=10.1; sTyr groups=None; RAW_FILE_NAME=P16_V6
SUBJECT_SAMPLE_FACTORS           	P17	P17_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=15.8; sTyr groups=None; RAW_FILE_NAME=P17_V1
SUBJECT_SAMPLE_FACTORS           	P17	P17_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.8; sTyr groups=None; RAW_FILE_NAME=P17_V4
SUBJECT_SAMPLE_FACTORS           	P17	P17_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.3; sTyr groups=None; RAW_FILE_NAME=P17_V6
SUBJECT_SAMPLE_FACTORS           	P18	P18_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.2; sTyr groups=1) <701; RAW_FILE_NAME=P18_V1
SUBJECT_SAMPLE_FACTORS           	P18	P18_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=14.2; sTyr groups=2) 701-900; RAW_FILE_NAME=P18_V4
SUBJECT_SAMPLE_FACTORS           	P18	P18_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.8; sTyr groups=2) 701-900; RAW_FILE_NAME=P18_V6
SUBJECT_SAMPLE_FACTORS           	P20	P20_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.5; sTyr groups=None; RAW_FILE_NAME=P20_V1
SUBJECT_SAMPLE_FACTORS           	P20	P20_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=15.1; sTyr groups=None; RAW_FILE_NAME=P20_V4
SUBJECT_SAMPLE_FACTORS           	P20	P20_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=13.9; sTyr groups=None; RAW_FILE_NAME=P20_V6
SUBJECT_SAMPLE_FACTORS           	P21	P21_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=18.7; sTyr groups=None; RAW_FILE_NAME=P21_V1
SUBJECT_SAMPLE_FACTORS           	P21	P21_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=8.7; sTyr groups=None; RAW_FILE_NAME=P21_V4
SUBJECT_SAMPLE_FACTORS           	P21	P21_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11.8; sTyr groups=None; RAW_FILE_NAME=P21_V6
SUBJECT_SAMPLE_FACTORS           	P22	P22_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.7; sTyr groups=1) <701; RAW_FILE_NAME=P22_V1
SUBJECT_SAMPLE_FACTORS           	P22	P22_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=9.6; sTyr groups=2) 701-900; RAW_FILE_NAME=P22_V4
SUBJECT_SAMPLE_FACTORS           	P22	P22_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6.7; sTyr groups=4) >1100; RAW_FILE_NAME=P22_V6
SUBJECT_SAMPLE_FACTORS           	P23	P23_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=16.4; sTyr groups=1) <701; RAW_FILE_NAME=P23_V1
SUBJECT_SAMPLE_FACTORS           	P23	P23_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.9; sTyr groups=4) >1100; RAW_FILE_NAME=P23_V4
SUBJECT_SAMPLE_FACTORS           	P23	P23_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.3; sTyr groups=3) 901-1100; RAW_FILE_NAME=P23_V6
SUBJECT_SAMPLE_FACTORS           	P24	P24_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.1; sTyr groups=None; RAW_FILE_NAME=P24_V1
SUBJECT_SAMPLE_FACTORS           	P24	P24_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.9; sTyr groups=None; RAW_FILE_NAME=P24_V4
SUBJECT_SAMPLE_FACTORS           	P24	P24_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.8; sTyr groups=None; RAW_FILE_NAME=P24_V6
SUBJECT_SAMPLE_FACTORS           	P26	P26_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.6; sTyr groups=1) <701; RAW_FILE_NAME=P26_V1
SUBJECT_SAMPLE_FACTORS           	P26	P26_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12; sTyr groups=3) 901-1100; RAW_FILE_NAME=P26_V4
SUBJECT_SAMPLE_FACTORS           	P26	P26_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=12.5; sTyr groups=4) >1100; RAW_FILE_NAME=P26_V6
SUBJECT_SAMPLE_FACTORS           	P28	P28_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=18.4; sTyr groups=None; RAW_FILE_NAME=P28_V1
SUBJECT_SAMPLE_FACTORS           	P28	P28_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.9; sTyr groups=None; RAW_FILE_NAME=P28_V4
SUBJECT_SAMPLE_FACTORS           	P28	P28_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=18.6; sTyr groups=None; RAW_FILE_NAME=P28_V6
SUBJECT_SAMPLE_FACTORS           	P29	P29_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.9; sTyr groups=None; RAW_FILE_NAME=P29_V1
SUBJECT_SAMPLE_FACTORS           	P29	P29_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=7.6; sTyr groups=None; RAW_FILE_NAME=P29_V4
SUBJECT_SAMPLE_FACTORS           	P29	P29_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=9.6; sTyr groups=None; RAW_FILE_NAME=P29_V6
SUBJECT_SAMPLE_FACTORS           	P30	P30_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=13.6; sTyr groups=1) <701; RAW_FILE_NAME=P30_V1
SUBJECT_SAMPLE_FACTORS           	P30	P30_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=16; sTyr groups=3) 901-1100; RAW_FILE_NAME=P30_V4
SUBJECT_SAMPLE_FACTORS           	P30	P30_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=16.3; sTyr groups=1) <701; RAW_FILE_NAME=P30_V6
SUBJECT_SAMPLE_FACTORS           	P31	P31_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=9.7; sTyr groups=1) <701; RAW_FILE_NAME=P31_V1
SUBJECT_SAMPLE_FACTORS           	P31	P31_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=10.8; sTyr groups=4) >1100; RAW_FILE_NAME=P31_V4
SUBJECT_SAMPLE_FACTORS           	P31	P31_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.4; sTyr groups=3) 901-1100; RAW_FILE_NAME=P31_V6
SUBJECT_SAMPLE_FACTORS           	P32	P32_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.1; sTyr groups=None; RAW_FILE_NAME=P32_V1
SUBJECT_SAMPLE_FACTORS           	P32	P32_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.1; sTyr groups=None; RAW_FILE_NAME=P32_V4
SUBJECT_SAMPLE_FACTORS           	P32	P32_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.5; sTyr groups=None; RAW_FILE_NAME=P32_V6
SUBJECT_SAMPLE_FACTORS           	P33	P33_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=15.5; sTyr groups=None; RAW_FILE_NAME=P33_V1
SUBJECT_SAMPLE_FACTORS           	P33	P33_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=14.4; sTyr groups=None; RAW_FILE_NAME=P33_V4
SUBJECT_SAMPLE_FACTORS           	P33	P33_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=16.9; sTyr groups=None; RAW_FILE_NAME=P33_V6
SUBJECT_SAMPLE_FACTORS           	P34	P34_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.6; sTyr groups=1) <701; RAW_FILE_NAME=P34_V1
SUBJECT_SAMPLE_FACTORS           	P34	P34_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=15.3; sTyr groups=2) 701-900; RAW_FILE_NAME=P34_V4
SUBJECT_SAMPLE_FACTORS           	P34	P34_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=25.1; sTyr groups=2) 701-900; RAW_FILE_NAME=P34_V6
SUBJECT_SAMPLE_FACTORS           	P35	P35_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=6.1; sTyr groups=None; RAW_FILE_NAME=P35_V1
SUBJECT_SAMPLE_FACTORS           	P35	P35_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=7.3; sTyr groups=None; RAW_FILE_NAME=P35_V4
SUBJECT_SAMPLE_FACTORS           	P35	P35_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=8.2; sTyr groups=None; RAW_FILE_NAME=P35_V6
SUBJECT_SAMPLE_FACTORS           	P37	P37_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=15.8; sTyr groups=None; RAW_FILE_NAME=P37_V1
SUBJECT_SAMPLE_FACTORS           	P37	P37_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=15.7; sTyr groups=None; RAW_FILE_NAME=P37_V4
SUBJECT_SAMPLE_FACTORS           	P37	P37_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4; sTyr groups=None; RAW_FILE_NAME=P37_V6
SUBJECT_SAMPLE_FACTORS           	P39	P39_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10.5; sTyr groups=1) <701; RAW_FILE_NAME=P39_V1
SUBJECT_SAMPLE_FACTORS           	P39	P39_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.6; sTyr groups=1) <701; RAW_FILE_NAME=P39_V4
SUBJECT_SAMPLE_FACTORS           	P39	P39_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=3.8; sTyr groups=1) <701; RAW_FILE_NAME=P39_V6
SUBJECT_SAMPLE_FACTORS           	P40	P40_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.4; sTyr groups=1) <701; RAW_FILE_NAME=P40_V1
SUBJECT_SAMPLE_FACTORS           	P40	P40_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=9.1; sTyr groups=1) <701; RAW_FILE_NAME=P40_V4
SUBJECT_SAMPLE_FACTORS           	P40	P40_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=9.6; sTyr groups=1) <701; RAW_FILE_NAME=P40_V6
SUBJECT_SAMPLE_FACTORS           	P41	P41_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=9.2; sTyr groups=None; RAW_FILE_NAME=P41_V1
SUBJECT_SAMPLE_FACTORS           	P41	P41_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.8; sTyr groups=None; RAW_FILE_NAME=P41_V4
SUBJECT_SAMPLE_FACTORS           	P41	P41_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=9.1; sTyr groups=None; RAW_FILE_NAME=P41_V6
SUBJECT_SAMPLE_FACTORS           	P42	P42_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.3; sTyr groups=None; RAW_FILE_NAME=P42_V1
SUBJECT_SAMPLE_FACTORS           	P42	P42_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=8.6; sTyr groups=None; RAW_FILE_NAME=P42_V4
SUBJECT_SAMPLE_FACTORS           	P42	P42_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=2.3; sTyr groups=None; RAW_FILE_NAME=P42_V6
SUBJECT_SAMPLE_FACTORS           	P43	P43_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=11.3; sTyr groups=1) <701; RAW_FILE_NAME=P43_V1
SUBJECT_SAMPLE_FACTORS           	P43	P43_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.9; sTyr groups=3) 901-1100; RAW_FILE_NAME=P43_V4
SUBJECT_SAMPLE_FACTORS           	P43	P43_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.7; sTyr groups=1) <701; RAW_FILE_NAME=P43_V6
SUBJECT_SAMPLE_FACTORS           	P44	P44_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.8; sTyr groups=1) <701; RAW_FILE_NAME=P44_V1
SUBJECT_SAMPLE_FACTORS           	P44	P44_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=15; sTyr groups=2) 701-900; RAW_FILE_NAME=P44_V4
SUBJECT_SAMPLE_FACTORS           	P44	P44_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=14.9; sTyr groups=2) 701-900; RAW_FILE_NAME=P44_V6
SUBJECT_SAMPLE_FACTORS           	P46	P46_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=8.8; sTyr groups=1) <701; RAW_FILE_NAME=P46_V1
SUBJECT_SAMPLE_FACTORS           	P46	P46_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.4; sTyr groups=1) <701; RAW_FILE_NAME=P46_V4
SUBJECT_SAMPLE_FACTORS           	P46	P46_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=2.3; sTyr groups=2) 701-900; RAW_FILE_NAME=P46_V6
SUBJECT_SAMPLE_FACTORS           	P47	P47_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.7; sTyr groups=1) <701; RAW_FILE_NAME=P47_V1
SUBJECT_SAMPLE_FACTORS           	P47	P47_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.1; sTyr groups=3) 901-1100; RAW_FILE_NAME=P47_V4
SUBJECT_SAMPLE_FACTORS           	P47	P47_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=8.3; sTyr groups=2) 701-900; RAW_FILE_NAME=P47_V6
SUBJECT_SAMPLE_FACTORS           	P48	P48_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=7.6; sTyr groups=1) <701; RAW_FILE_NAME=P48_V1
SUBJECT_SAMPLE_FACTORS           	P48	P48_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=13.7; sTyr groups=1) <701; RAW_FILE_NAME=P48_V4
SUBJECT_SAMPLE_FACTORS           	P48	P48_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=3.7; sTyr groups=2) 701-900; RAW_FILE_NAME=P48_V6
SUBJECT_SAMPLE_FACTORS           	P49	P49_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=13.8; sTyr groups=None; RAW_FILE_NAME=P49_V1
SUBJECT_SAMPLE_FACTORS           	P49	P49_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=13.7; sTyr groups=None; RAW_FILE_NAME=P49_V4
SUBJECT_SAMPLE_FACTORS           	P49	P49_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=9.2; sTyr groups=None; RAW_FILE_NAME=P49_V6
SUBJECT_SAMPLE_FACTORS           	P50	P50_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=11.6; sTyr groups=None; RAW_FILE_NAME=P50_V1
SUBJECT_SAMPLE_FACTORS           	P50	P50_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=10; sTyr groups=None; RAW_FILE_NAME=P50_V4
SUBJECT_SAMPLE_FACTORS           	P50	P50_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=4.6; sTyr groups=None; RAW_FILE_NAME=P50_V6
SUBJECT_SAMPLE_FACTORS           	P52	P52_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=12.2; sTyr groups=1) <701; RAW_FILE_NAME=P52_V1
SUBJECT_SAMPLE_FACTORS           	P52	P52_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=11.4; sTyr groups=2) 701-900; RAW_FILE_NAME=P52_V4
SUBJECT_SAMPLE_FACTORS           	P52	P52_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=6.4; sTyr groups=2) 701-900; RAW_FILE_NAME=P52_V6
SUBJECT_SAMPLE_FACTORS           	P55	P55_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=11.3; sTyr groups=1) <701; RAW_FILE_NAME=P55_V1
SUBJECT_SAMPLE_FACTORS           	P55	P55_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=12.4; sTyr groups=1) <701; RAW_FILE_NAME=P55_V4
SUBJECT_SAMPLE_FACTORS           	P55	P55_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11; sTyr groups=1) <701; RAW_FILE_NAME=P55_V6
SUBJECT_SAMPLE_FACTORS           	P60	P60_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=10; sTyr groups=1) <701; RAW_FILE_NAME=P60_V1
SUBJECT_SAMPLE_FACTORS           	P60	P60_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.9; sTyr groups=2) 701-900; RAW_FILE_NAME=P60_V4
SUBJECT_SAMPLE_FACTORS           	P60	P60_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=7; sTyr groups=1) <701; RAW_FILE_NAME=P60_V6
SUBJECT_SAMPLE_FACTORS           	P61	P61_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=12.1; sTyr groups=None; RAW_FILE_NAME=P61_V1
SUBJECT_SAMPLE_FACTORS           	P61	P61_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=11.8; sTyr groups=None; RAW_FILE_NAME=P61_V4
SUBJECT_SAMPLE_FACTORS           	P61	P61_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=11.4; sTyr groups=None; RAW_FILE_NAME=P61_V6
SUBJECT_SAMPLE_FACTORS           	P62	P62_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=14.9; sTyr groups=1) <701; RAW_FILE_NAME=P62_V1
SUBJECT_SAMPLE_FACTORS           	P62	P62_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=16.6; sTyr groups=2) 701-900; RAW_FILE_NAME=P62_V4
SUBJECT_SAMPLE_FACTORS           	P62	P62_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=11.8; sTyr groups=3) 901-1100; RAW_FILE_NAME=P62_V6
SUBJECT_SAMPLE_FACTORS           	P63	P63_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=5; sTyr groups=None; RAW_FILE_NAME=P63_V1
SUBJECT_SAMPLE_FACTORS           	P63	P63_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=6.1; sTyr groups=None; RAW_FILE_NAME=P63_V4
SUBJECT_SAMPLE_FACTORS           	P63	P63_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=10.3; sTyr groups=None; RAW_FILE_NAME=P63_V6
SUBJECT_SAMPLE_FACTORS           	P64	P64_V1	Treatedrial arm:Treated	Time point=Baseline; 24h Creatinine=6.1; sTyr groups=1) <701; RAW_FILE_NAME=P64_V1
SUBJECT_SAMPLE_FACTORS           	P64	P64_V4	Treatedrial arm:Treated	Time point=24 months; 24h Creatinine=8.2; sTyr groups=2) 701-900; RAW_FILE_NAME=P64_V4
SUBJECT_SAMPLE_FACTORS           	P64	P64_V6	Treatedrial arm:Treated	Time point=48 months; 24h Creatinine=4; sTyr groups=2) 701-900; RAW_FILE_NAME=P64_V6
SUBJECT_SAMPLE_FACTORS           	P65	P65_V1	Treatedrial arm:Untreated	Time point=Baseline; 24h Creatinine=10.3; sTyr groups=None; RAW_FILE_NAME=P65_V1
SUBJECT_SAMPLE_FACTORS           	P65	P65_V4	Treatedrial arm:Untreated	Time point=24 months; 24h Creatinine=9.5; sTyr groups=None; RAW_FILE_NAME=P65_V4
SUBJECT_SAMPLE_FACTORS           	P65	P65_V6	Treatedrial arm:Untreated	Time point=48 months; 24h Creatinine=13.4; sTyr groups=None; RAW_FILE_NAME=P65_V6
#COLLECTION
CO:COLLECTION_SUMMARY            	Serum and urine samples were collected at the three study sites; Liverpool,
CO:COLLECTION_SUMMARY            	Paris and Piešťany. Samples collected at Paris and Piešťany were transported
CO:COLLECTION_SUMMARY            	frozen to the Royal Liverpool University Hospital for metabolite analysis and
CO:COLLECTION_SUMMARY            	storage at -80 °C. Urine was collected over 24-h into 2.5 L bottles containing
CO:COLLECTION_SUMMARY            	30 mL of 5 mol/L sulphuric acid which was subsequently aliquoted and stored at
CO:COLLECTION_SUMMARY            	-80 °C.
CO:SAMPLE_TYPE                   	Urine
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Samples studied were from patients partaking in the SONIA 2 clinical trial of
TR:TREATMENT_SUMMARY             	nitisinone in AKU. SONIA 2 was a 4-year, open-label, evaluator-blind,
TR:TREATMENT_SUMMARY             	randomised, no treatment controlled, parallel-group study undertaken at three
TR:TREATMENT_SUMMARY             	study sites; Liverpool (UK), Paris (France) and Piešťany (Slovakia). The
TR:TREATMENT_SUMMARY             	details and outcomes of the trial are published (1). Serum and urine samples
TR:TREATMENT_SUMMARY             	were collected from participants at baseline (pre-treatment) then at 3 months
TR:TREATMENT_SUMMARY             	and 1, 2, 3 and 4 years on 10 mg oral daily nitisinone (Orfadin®) treatment or
TR:TREATMENT_SUMMARY             	no treatment. The serum and urine samples from visit 1 (baseline;
TR:TREATMENT_SUMMARY             	pre-treatment), visit 4 (2 years), visit 6 (4 years) underwent metabolomic
TR:TREATMENT_SUMMARY             	analysis. In this study, only the data from patients with samples available for
TR:TREATMENT_SUMMARY             	these three time points were included; 53 and 50 patients in treated and
TR:TREATMENT_SUMMARY             	untreated groups respectively for urine, and 47 and 45 patients in treated and
TR:TREATMENT_SUMMARY             	untreated groups respectively for serum. Reference: (1) Ranganath, L.R.;
TR:TREATMENT_SUMMARY             	Psarelli, E.E.; Arnoux, J.B.; Braconi, D.; Briggs, M.; Bröijersén, A.; Loftus,
TR:TREATMENT_SUMMARY             	N.; Bygott, H.; Cox, T.F.; Davison, A.S.; et al. Efficacy and Safety of
TR:TREATMENT_SUMMARY             	Once-Daily Nitisinone for Patients with Alkaptonuria (SONIA 2): An
TR:TREATMENT_SUMMARY             	International, Multicentre, Open-Label, Randomised Controlled Trial. Lancet
TR:TREATMENT_SUMMARY             	Diabetes Endocrinol. 2020, 8, 762–772, doi:10.1016/S2213-8587(20)30228-X.
TR:TREATMENT_PROTOCOL_ID         	Clinical trial ID: EudraCT no. 2013-001633-41
TR:TREATMENT_COMPOUND            	Nitisinone (NTBC)
TR:TREATMENT_DOSE                	10 mg daily
TR:TREATMENT_DOSEDURATION        	48 months total
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Prior to analysis, urine samples were thawed at room temperature before
SP:SAMPLEPREP_SUMMARY            	vortexing and centrifugation at 1500 ×g for 5 minutes. 150 µL of each urine
SP:SAMPLEPREP_SUMMARY            	sample was aliquoted into a 1 mL 96-well plate (Waters Corporation, Wilmslow,
SP:SAMPLEPREP_SUMMARY            	UK) and diluted with 450 µL of deionised water. Samples were mixed on a plate
SP:SAMPLEPREP_SUMMARY            	shaker (MTS 2/4m IKA) at 600 rpm for 10 min and sub-aliquoted into multiple
SP:SAMPLEPREP_SUMMARY            	replicate 96-well plates before storage at -80 °C ready for analysis. Prior to
SP:SAMPLEPREP_SUMMARY            	analysis, sample plates were thawed then agitated on a plate shaker (MTS 2/4m
SP:SAMPLEPREP_SUMMARY            	IKA) at 600 rpm for 10 min.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Analysis of serum and urine samples was performed using a published LC-QTOF-MS
CH:CHROMATOGRAPHY_SUMMARY        	acquisition method, which employed a 1290 Infinity II HPLC coupled to a 6550
CH:CHROMATOGRAPHY_SUMMARY        	QTOF-MS equipped with dual AJS electrospray ionisation source (Agilent, Cheadle,
CH:CHROMATOGRAPHY_SUMMARY        	UK). Data acquisition parameters are detailed in brief below and in full in
CH:CHROMATOGRAPHY_SUMMARY        	Supplementary Materials. Reversed-phase LC was performed on an Atlantis dC18
CH:CHROMATOGRAPHY_SUMMARY        	column (3×100 mm, 3 μm, Waters, Manchester, UK) maintained at 60 °C. Mobile
CH:CHROMATOGRAPHY_SUMMARY        	phase composition was (A) water and (B) methanol, both with 5 mmol/L ammonium
CH:CHROMATOGRAPHY_SUMMARY        	formate and 0.1 % formic acid. The elution gradient began at 5 % B 0–1 min and
CH:CHROMATOGRAPHY_SUMMARY        	increased linearly to 100 % B by 12 min, held at 100 % B until 14 min, then at 5
CH:CHROMATOGRAPHY_SUMMARY        	% B for a further 5 min. MS data acquisition was performed in positive and
CH:CHROMATOGRAPHY_SUMMARY        	negative ionisation polarity with mass range 50–1700 in 2 GHz mode with
CH:CHROMATOGRAPHY_SUMMARY        	acquisition rate at 3 spectra/second. Sample injection volume was 1 and 2 µL in
CH:CHROMATOGRAPHY_SUMMARY        	negative and positive polarities, respectively.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity II
CH:COLUMN_NAME                   	Waters Atlantis dC18 (3x100 mm, 3 µm)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6550 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	MS acquisition conditions detailed in attached Supplementary Materials. Raw data
MS:MS_COMMENTS                   	were mined using the targeted feature extraction function in Masshunter
MS:MS_COMMENTS                   	Profinder (build 10.00, Agilent) with mass targets based on chemical formulae of
MS:MS_COMMENTS                   	known/predicted phe-tyr pathway metabolites from the customised compound
MS:MS_COMMENTS                   	databases described below. A combined compound database was compiled using PCDL
MS:MS_COMMENTS                   	Manager (Agilent, build 08.00). Accurate mass retention time (AMRT) matched
MS:MS_COMMENTS                   	metabolites were present in our published AMRT database, which was generated
MS:MS_COMMENTS                   	from chemical standards using the same LC-QTOF-MS methodology employed here:
MS:MS_COMMENTS                   	phenylalanine, phenylethylamine, tyrosine, N-acetyl-tyrosine, tyramine, HPPA,
MS:MS_COMMENTS                   	HPLA and HGA. Other established phenylalanine metabolites added to the database
MS:MS_COMMENTS                   	for mining by accurate mass alone were hydroxyphenylacetic acid,
MS:MS_COMMENTS                   	phenylacetaldehyde, phenylacetamide, phenylacetic acid, phenylacetylglutamine,
MS:MS_COMMENTS                   	phenylethylamine, phenyllactic acid and phenylpyruvic acid. The remaining
MS:MS_COMMENTS                   	formulae were from non-established but theoretically possible phase 1 and 2
MS:MS_COMMENTS                   	biotransformation products derived from phenylalanine (n=74), tyrosine (n=74),
MS:MS_COMMENTS                   	HPPA (n=67) and HPLA (n=67) predicted using the Biotransformation Mass Defects
MS:MS_COMMENTS                   	tool (Agilent), in addition to the HGA biotransformation products (n=7)
MS:MS_COMMENTS                   	previously established by our group. Feature extraction parameters were accurate
MS:MS_COMMENTS                   	mass match window ±5 ppm with addition of matched retention time (RT; window
MS:MS_COMMENTS                   	±0.3 min) for AMRT database metabolites. Allowed ion species were: H+, Na+, and
MS:MS_COMMENTS                   	NH4+ in positive polarity, and H− and CHO2- in negative polarity. Charge state
MS:MS_COMMENTS                   	range was 1–2, and dimers were allowed. ‘Find by formula’ filters were:
MS:MS_COMMENTS                   	score >60 in at least 60 % of samples in at least one sample group. Where
MS:MS_COMMENTS                   	compounds were detected in both positive and negative ionisation, the polarity
MS:MS_COMMENTS                   	with the clearest signal was selected for further analysis. Extracted peak area
MS:MS_COMMENTS                   	intensity data were exported in .csv file format and imported into Mass Profiler
MS:MS_COMMENTS                   	Professional (MPP; build 15.1, Agilent), in which all statistical analyses were
MS:MS_COMMENTS                   	performed unless stated otherwise. In MPP, all data were log2 transformed and
MS:MS_COMMENTS                   	pareto scaled. Urine data were normalised to 24-h creatinine values. QC was
MS:MS_COMMENTS                   	performed based on compound signal intensity data from the pooled samples
MS:MS_COMMENTS                   	interspersed throughout each analytical sequence. Compounds were retained for
MS:MS_COMMENTS                   	subsequent statistical analyses if a) observed in 100 % of replicate injections
MS:MS_COMMENTS                   	for at least one sample group pool, and b) peak area coefficient of variation
MS:MS_COMMENTS                   	(CV) remained <30% across replicate injections for each sample group pool across
MS:MS_COMMENTS                   	batches 1 and 2 combined.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area (pareto-scaled, log2-transformed, 24h creatinine normalised)
MS_METABOLITE_DATA_START
Samples	F01_V1	F01_V4	F01_V6	F02_V1	F02_V4	F02_V6	F03_V1	F03_V4	F03_V6	F04_V1	F04_V4	F04_V6	F05_V1	F05_V4	F05_V6	F06_V1	F06_V4	F06_V6	F07_V1	F07_V4	F07_V6	F08_V1	F08_V4	F08_V6	F09_V1	F09_V4	F09_V6	F10_V1	F10_V4	F10_V6	F11_V1	F11_V4	F11_V6	F12_V1	F12_V4	F12_V6	F13_V1	F13_V4	F13_V6	F14_V1	F14_V4	F14_V6	F15_V1	F15_V4	F15_V6	F16_V1	F16_V4	F16_V6	F17_V1	F17_V4	F17_V6	F18_V1	F18_V4	F18_V6	F20_V1	F20_V4	F20_V6	F21_V1	F21_V4	F21_V6	F23_V1	F23_V4	F23_V6	F24_V1	F24_V4	F24_V6	F25_V1	F25_V4	F25_V6	F26_V1	F26_V4	F26_V6	F29_V1	F29_V4	F29_V6	F31_V1	F31_V4	F31_V6	F32_V1	F32_V4	F32_V6	L01_V1	L01_V4	L01_V6	L03_V1	L03_V4	L03_V6	L06_V1	L06_V4	L06_V6	L07_V1	L07_V4	L07_V6	L08_V1	L08_V4	L08_V6	L09_V1	L09_V4	L09_V6	L10_V1	L10_V4	L10_V6	L11_V1	L11_V4	L11_V6	L12_V1	L12_V4	L12_V6	L13_V1	L13_V4	L13_V6	L14_V1	L14_V4	L14_V6	L15_V1	L15_V4	L15_V6	L16_V1	L16_V4	L16_V6	L17_V1	L17_V4	L17_V6	L18_V1	L18_V4	L18_V6	L21_V1	L21_V4	L21_V6	L22_V1	L22_V4	L22_V6	L23_V1	L23_V4	L23_V6	L24_V1	L24_V4	L24_V6	L28_V1	L28_V4	L28_V6	L29_V1	L29_V4	L29_V6	L30_V1	L30_V4	L30_V6	L31_V1	L31_V4	L31_V6	L33_V1	L33_V4	L33_V6	L35_V1	L35_V4	L35_V6	L37_V1	L37_V4	L37_V6	L38_V1	L38_V4	L38_V6	L40_V1	L40_V4	L40_V6	P01_V1	P01_V4	P01_V6	P02_V1	P02_V4	P02_V6	P03_V1	P03_V4	P03_V6	P05_V1	P05_V4	P05_V6	P06_V1	P06_V4	P06_V6	P07_V1	P07_V4	P07_V6	P09_V1	P09_V4	P09_V6	P11_V1	P11_V4	P11_V6	P12_V1	P12_V4	P12_V6	P13_V1	P13_V4	P13_V6	P15_V1	P15_V4	P15_V6	P16_V1	P16_V4	P16_V6	P17_V1	P17_V4	P17_V6	P18_V1	P18_V4	P18_V6	P20_V1	P20_V4	P20_V6	P21_V1	P21_V4	P21_V6	P22_V1	P22_V4	P22_V6	P23_V1	P23_V4	P23_V6	P24_V1	P24_V4	P24_V6	P26_V1	P26_V4	P26_V6	P28_V1	P28_V4	P28_V6	P29_V1	P29_V4	P29_V6	P30_V1	P30_V4	P30_V6	P31_V1	P31_V4	P31_V6	P32_V1	P32_V4	P32_V6	P33_V1	P33_V4	P33_V6	P34_V1	P34_V4	P34_V6	P35_V1	P35_V4	P35_V6	P37_V1	P37_V4	P37_V6	P39_V1	P39_V4	P39_V6	P40_V1	P40_V4	P40_V6	P41_V1	P41_V4	P41_V6	P42_V1	P42_V4	P42_V6	P43_V1	P43_V4	P43_V6	P44_V1	P44_V4	P44_V6	P46_V1	P46_V4	P46_V6	P47_V1	P47_V4	P47_V6	P48_V1	P48_V4	P48_V6	P49_V1	P49_V4	P49_V6	P50_V1	P50_V4	P50_V6	P52_V1	P52_V4	P52_V6	P55_V1	P55_V4	P55_V6	P60_V1	P60_V4	P60_V6	P61_V1	P61_V4	P61_V6	P62_V1	P62_V4	P62_V6	P63_V1	P63_V4	P63_V6	P64_V1	P64_V4	P64_V6	P65_V1	P65_V4	P65_V6	P63_V1	P63_V4	P63_V6	P64_V1	P64_V4	P64_V6	P65_V1	P65_V4	P65_V6
Factors	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated
Phenylalanine	0.5902948	1.1542768	1.7299829	0.76134044	0.8696739	1.1084139	-0.27508375	-0.11773339	-0.28722748	0.65372235	0.4842012	0.31910104	0.47537675	1.527795	1.9512138	-0.09325991	-1.1236973	1.0176482	0.6357317	0.9339678	1.7498192	0.80970395	0.26359814	0.72246903	0.9776529	1.8976696	1.8617772	-0.37723964	0.36210886	1.300787	-1.1600459	0.13949005	-0.51207346	0.74080145	1.343833	0.7722458	-0.16972144	-0.010393477	1.3499295	-2.1981122	-2.431545	0.09620563	0.8214789	-0.31568158	2.2942448	1.2649678	-0.19801973	1.8737794	0.40856314	2.0552902	0.7183072	0.40318996	-0.7829604	1.5102589	1.5223471	2.6839175	2.4122753	1.1974277	1.4922428	2.1910126	0.22065869	0.40305322	1.3314396	1.2767618	1.3769035	1.6256523	0.5803607	0.77308834	1.35102	0.4992684	-0.020987255	1.2427788	1.218903	2.5959067	2.297607	0.3017526	0.43181732	1.1720878	-0.76604277	-1.1205035	0.90391773	-0.3944927	-0.6521231	-0.4789997	0.6243335	0.8675914	0.09362078	-0.54244316	-0.7339006	0.15714529	-1.2576807	-0.111806974	0.9917551	0.07448393	0.30329302	0.4391061	0.17482279	-0.090675056	-0.503284	0.23019055	1.8403655	0.32528022	-0.47059494	-0.17792907	0.98215175	-0.9970536	-0.89640474	0.17971271	-1.2213718	-0.07432337	0.44643623	0.47091764	-0.4509478	0.8806651	0.47467571	0.08269633	0.59269047	-0.14921744	0.49036288	0.24610983	0.13065925	-0.78661036	-0.42386246	-1.2688626	-0.66556245	0.25118098	-0.27860177	-0.6394309	-0.8379927	-0.06767523	0.47551826	0.64777523	-0.1287834	-0.3214681	-0.62301403	1.382892	-0.7079455	1.2559654	0.22558518	0.89611065	0.42866653	-0.33389163	-0.9024679	-0.5128095	0.50463045	0.512358	0.84190977	-0.20420526	0.009776672	0.13815948	1.6347518	0.7562216	1.653178	1.0814191	-0.21343508	0.82570595	-0.24844034	-0.87343836	-1.1483425	0.6195787	-0.115868665	-0.3690336	0.03005174	0.38706082	0.24831793	-1.2543406	-1.2254351	-1.0857432	-2.4189498	-0.84580296	-0.02888013	-1.504226	-1.0276189	-0.7144983	-1.401982	-0.88094175	-0.29003492	-1.7204971	-1.3623744	-1.3235548	-1.3316972	-1.7372637	-0.6700184	1.5254533	0.60937756	1.1142226	-1.0225191	-0.34268746	0.3135164	0.047675185	0.44075143	-0.06697895	-0.4655508	-0.7017743	0.77518994	-1.4958721	-1.0182444	-0.55834335	-0.9301494	-1.2828281	-1.3044631	-0.54075646	-0.38240775	0.20918898	-0.915726	0.008732237	-0.1381722	-1.5723671	-0.4844031	0.4453743	-1.0138758	-0.7503683	-0.5350749	0.16975482	-0.067533754	0.40264627	-0.66036093	0.015808005	-0.36882216	-0.6100341	-0.83150357	-0.0745507	-0.8571661	-0.40461433	-0.21600245	-0.7216535	-0.9470018	-1.1883887	-0.94560605	-0.97957164	-0.75857437	-1.01541	-0.05333135	-0.15766037	-0.43050104	-0.3072975	0.5399314	-0.56941247	-0.63295126	0.7229014	0.5489514	-0.26561707	-0.60629356	0.52286434	-0.5741863	-0.6906782	-0.17442854	-0.48272118	-0.89155775	-0.8878363	0.5438532	1.3066101	-0.5656544	-0.2995127	-0.080844335	0.025422527	0.27356082	0.6253795	-0.69186884	-0.35497108	0.4250913	0.6150814	0.74818724	1.8015783	-0.40726435	-0.1710552	-0.54018897	-0.6377601	0.23883694	0.30318812	-0.7884258	-0.8288917	1.7896333	0.65930694	1.0852313	1.550286	0.6314776	-0.23175164	1.9568796	-1.5488331	-1.1387105	0.07700202	-0.9024504	-0.78996307	0.4973417	-1.188511	-0.079170376	0.36263028	-0.25067228	-0.0706146	-0.6025291	-0.115218475	0.17003779	0.7852845	-1.6211296	-1.35319	-0.93247354	-0.122303784	-1.0252438	0.28383824	0.27436998	-0.40735498	-0.4626512	-0.77478456	-0.6238359	0.40308025	-0.42572877	-1.2851968	-1.0302657	0.27436998	-0.40735498	-0.4626512	-0.77478456	-0.6238359	0.40308025	-0.42572877	-1.2851968	-1.0302657
Phenylalanine hydrate	0.36643928	0.8275067	2.6331818	-0.7712955	-0.29334626	-0.06699014	-2.3307538	-0.91394025	-0.99147886	-1.5113817	0.10032646	-0.28860673	-1.3964412	0.23283544	0.4590936	-1.4059248	-2.7529416	-0.7409625	0.44006023	0.2606612	2.0336158	-0.5331046	0.38363037	0.2303446	0.40960932	1.3547987	0.8896621	-0.17417508	0.268376	0.59437734	-0.49167252	0.59048146	1.1183766	-0.6072181	0.43519098	0.17139487	-1.195371	-1.1429859	0.54529405	-1.1992198	-2.7173195	0.03623175	-0.011334043	1.1254075	1.6102451	0.034346823	1.2917815	2.8778791	-0.2554255	2.8863332	1.5192535	0.3653281	-0.43142202	2.7908804	-0.08838739	1.7813996	2.0966275	-0.09978675	-0.12716171	1.0123926	0.24052572	-0.10711329	-0.03279117	-0.38761973	0.38667366	1.7590082	-0.67899036	-0.81592596	0.13642305	0.2997902	0.17571986	1.52038	-0.046748508	1.2859527	1.218724	-0.62746876	-0.066237256	0.8755995	-0.58629704	-0.6021375	2.6356199	-0.9652369	-0.71623987	-0.8348196	0.30108824	0.112285495	1.1136788	-0.0840225	0.8362637	2.1029	-0.58294624	1.2985168	1.4180071	-1.0555147	0.15681255	0.22307338	1.0871375	0.5766012	0.4918512	0.25508898	1.5938023	1.3939586	0.29705262	0.53916395	0.6526495	0.02465007	0.8071417	1.0686202	-1.1639241	0.036689825	-0.06962704	-0.60378474	0.030481728	1.243432	-0.9655598	-0.5740795	0.013560033	-1.213784	0.49856728	0.61246014	-0.18741038	-0.9440864	-0.16182601	-1.0266021	0.78112376	1.005517	0.23143944	-0.7563413	-0.38959628	-0.971289	0.48130998	2.35302	-0.25107968	0.045887683	0.8515146	-0.027783146	-0.6137119	-0.031169299	-0.5999351	0.099143624	0.1330868	0.1197617	-0.0677793	0.40889364	-0.29727486	0.47223818	1.2269123	-0.07151015	0.34907764	1.1664313	-0.4272948	1.2512802	1.8889846	-0.45296624	0.32105866	0.31447867	-0.48959348	-0.9267075	-0.474505	0.3910821	0.2310748	0.3881776	0.13267316	0.26066032	0.70140266	-0.560622	-0.5973998	-0.98755664	-0.9820924	0.5021067	1.8616486	-1.0953239	0.23254246	0.4562118	-0.63366693	-0.759985	-0.17986251	-1.2149732	-1.0337664	-1.1075733	-1.3045715	0.3740597	0.91337967	-0.7606454	-0.18453945	-0.400543	-0.33890375	0.32003185	0.47069433	-0.6093071	-1.5668002	-1.6139922	-0.6011007	-0.73712283	0.4332997	-0.7159496	0.60151523	-0.002125303	-0.16417445	-0.94801855	-0.6337168	-0.8750516	-0.55134064	0.084134065	-1.2861413	-0.27006862	0.6833181	0.062909156	-0.76699495	-0.10946173	-1.0780911	0.078583606	-0.125587	-0.749275	1.0854149	1.5817544	-0.86718994	0.27796933	0.69128233	-0.48999986	-0.3138836	-0.54749644	-0.85174406	0.29958975	0.26260784	-0.8480903	-0.4276567	-0.94074285	-0.09183795	0.19148229	-0.22855943	-1.2442548	-0.2161505	-0.55443203	-0.77241933	0.4028842	0.61948097	-0.027170863	-1.047945	-0.84688026	-0.8225132	-0.98056394	-1.6547422	-1.2308363	0.17791228	-0.88852185	0.3510841	0.2936973	-0.7142561	-1.3819696	-0.43162158	0.7252581	-0.4517698	1.291359	2.5536003	-0.34614867	0.22471975	-0.26735008	-0.7424021	-0.13208355	0.09175178	-0.22314413	-0.88996416	1.2121285	-0.17896722	1.0062916	1.3624518	-1.3684386	-0.4718581	0.25555342	-1.0390157	0.5064989	2.710489	-0.3430292	0.47839096	0.72370064	0.0765599	0.19863647	2.6632843	-1.2747928	-1.8884884	-0.78024024	-0.494499	-0.99395883	0.69949144	-0.96274877	0.2767203	1.6492834	-1.5250361	-0.45701185	0.50002044	0.016598772	1.1816785	1.4112974	-1.0691046	-0.8802955	-1.1796558	-1.1154884	0.012201218	0.52309215	0.7288248	0.37343836	-0.7843811	-0.49851194	-0.2813836	1.3770431	-0.3806506	-0.34659678	-0.902813	0.7288248	0.37343836	-0.7843811	-0.49851194	-0.2813836	1.3770431	-0.3806506	-0.34659678	-0.902813
Phenylpyruvic acid	-0.68338335	3.2511811	3.2723067	-0.72409284	-0.7833697	0.30037627	-1.123565	-0.89064074	-0.8289867	-0.46192795	2.483766	1.2189268	-0.47479317	2.7428555	3.079808	-1.1444515	-1.3744137	-0.36085483	-0.93732166	-0.8012796	-0.03649338	0.4871854	2.24291	2.2820485	-0.6485328	3.0816817	2.896181	-0.6039622	0.15637441	0.54509526	-1.3817034	2.845745	2.4697406	-1.2577302	-0.24962088	-0.7061411	-1.924417	-1.0807059	-0.5158325	-1.5247128	-2.071564	-0.8009876	-0.77460366	3.0882614	3.6585655	-0.48713696	2.2901974	3.3487344	-0.15789476	3.793292	3.2202022	-1.1058766	-1.6262821	0.020494686	-0.64109796	3.5484219	3.2461243	-0.72068703	-0.43898204	-0.24555704	-0.68925744	-0.7515539	-0.40518796	-0.62542003	2.7564545	3.033182	-0.9095273	-1.3639877	-0.53320324	-0.7038513	2.2917929	2.9312062	-1.3759462	2.9745443	2.6868513	-0.37614655	2.4504304	2.3952532	-0.51389056	2.3247514	3.439677	-0.977416	-0.7559914	-0.96346915	-0.51137173	-0.4216294	-0.7760383	-0.8883927	2.5857852	3.1116207	-1.4103651	2.5837753	2.8413074	-1.0106267	2.6044772	2.5224237	-0.95518214	-0.89399856	-1.4520094	-1.1803362	3.2635283	2.4358058	-1.6633589	-1.3793615	-0.8990417	-1.370536	1.9854033	2.9106948	-1.8004494	-1.1402373	-1.3456658	-1.1817371	2.2501874	2.7051792	-0.85420483	-1.1853127	-0.875941	-1.3214281	2.5071166	2.7079225	-1.1012766	-1.7012073	-1.5185664	-1.7047154	2.4310193	2.5222735	-1.9032456	-1.4935248	-1.4503838	-1.1588078	2.3195496	2.6228566	-1.2891346	-0.9672859	-0.83863324	-0.6200653	-1.6313046	-0.5390643	-1.421425	2.8241556	2.9621143	-0.93846786	-1.2905601	-1.5374726	-0.6369736	2.3264942	3.2822285	-0.6418085	-0.7549405	-0.57992554	-0.49132437	2.639011	2.9585028	-1.6829641	-1.6342076	-0.8556818	-1.4240391	-1.8495145	-1.8934801	-0.8726794	-1.863188	-0.7307849	-0.7234327	2.5606096	2.2569647	-2.4605124	-1.476927	-2.0731	-1.9935436	2.3983977	2.548348	-2.5791857	1.8634084	2.283278	-1.195336	-0.8829356	-0.22388591	-1.4458725	-1.5183395	-1.311371	-2.172802	2.275693	2.5673332	-0.87472725	-1.5783824	-1.4012516	-1.3082824	2.3724546	2.2842855	-1.1298743	-0.8666772	-1.3398249	-1.459052	-1.5674741	-1.1614461	-2.214841	1.9638678	1.8300147	-1.8736595	-1.6576335	-2.0988686	-1.6108583	-1.6202819	-1.2890887	-1.8119748	2.264368	2.1657913	-1.788441	-1.714777	-1.3137451	-1.6628845	-1.804953	-1.3948349	-1.3296067	2.2785792	2.6758332	-1.4111936	2.2399452	2.029549	-1.443204	-1.75307	-1.376267	-1.6915169	2.5513897	2.568725	-1.9064608	-2.0483942	-1.8948244	-2.1256783	-1.7909617	-1.8342879	-1.7875792	2.2391632	-0.24841267	-1.7029389	2.5828948	2.8689582	-2.439856	-1.8524796	-0.859079	-1.8009043	-2.0226626	-2.7257977	-1.1001759	1.8104993	1.8925618	-0.5983074	-0.9828489	-1.0256113	-2.3422034	-1.2853103	-0.66836643	-1.5275387	2.0843847	2.4033537	-1.1477796	-0.35741124	-1.1094245	-1.6105754	-1.4574888	-0.6502483	-0.7453207	-0.7590724	-0.05406991	-1.5128909	2.514655	2.0573196	-1.4153229	2.5612478	2.3815434	-1.0517108	1.8008841	3.5197334	-0.90090597	2.7514956	3.1567774	-1.3004926	0.3735945	2.8971384	-1.32959	-1.0189278	-0.3369549	-2.137487	-1.8096864	-1.5360507	-1.5696903	2.5024157	2.739367	-1.3431022	2.612507	2.3480988	-2.0168955	2.153456	2.5363576	-1.5555005	-1.7198598	-1.5660018	-1.2102717	1.9773599	2.2633698	-1.4051616	-1.2718354	-2.0815573	-0.9504587	2.6024117	3.045268	-1.4356118	-2.6279552	-1.5032111	-1.4051616	-1.2718354	-2.0815573	-0.9504587	2.6024117	3.045268	-1.4356118	-2.6279552	-1.5032111
Phenylacetamide	0.14174484	2.7940364	3.0771916	-0.2476078	-0.38187933	0.5207483	-1.2439876	-1.3526055	-0.62566924	0.004324696	1.8010789	-0.06718532	-0.7836352	1.2665305	1.6990689	-0.70633197	-1.0338784	0.06475866	-1.1811416	-1.0743206	0.29241464	-0.45478123	1.7881835	2.5178142	0.35911983	2.199076	1.7650149	-0.78877187	-0.3672652	0.30810502	-1.2141322	1.4034979	0.7946494	-0.53704536	0.09768314	-0.5880714	-0.774453	-0.95634955	0.8264618	-1.5691706	-2.4033258	-0.4839216	0.669234	2.770214	3.9394424	0.6889622	1.7294528	3.3824215	0.0819773	3.4928994	2.2469456	-0.13751785	-0.7793035	0.6007207	0.0291221	4.223451	3.5640292	-0.581029	-0.25575948	0.40987524	-0.2777738	-0.79047024	0.25087804	-0.28153965	2.3722212	1.9067864	0.05580277	-1.4910934	-0.50135046	-0.16077435	1.6747094	2.5597692	-0.81898636	2.363669	2.265417	-0.19103104	0.7833505	1.2955921	-0.8008497	1.5442642	3.0824666	-1.0227715	-1.2769	-1.0266259	-0.34721217	-0.2470651	-0.3316399	-0.7777408	0.39852363	1.1246387	-0.97971505	0.9483195	1.9277533	-0.6359685	0.5024302	0.3684012	0.64627624	0.08501837	0.39230582	-0.8893555	2.1466482	0.77693164	-1.3949329	-0.98497117	-0.24192354	-0.9712899	-0.33905557	1.1289029	-0.6238415	-0.47832593	-0.5369111	-0.22844964	0.20766692	1.4230666	-0.026781196	-0.42713606	0.2375166	-0.68498904	1.5218484	0.92567253	-0.2544182	-0.83940285	-0.1475036	-1.4472917	1.2750955	1.8610665	-0.86753166	-1.6017218	-0.95087695	-0.7887149	1.5560166	1.5256474	-0.8079356	-0.66986877	-0.47229934	0.04682298	-1.4707965	-0.046186086	-0.51568127	2.1489398	2.219188	-0.4939467	-1.0108624	-0.3468206	-0.41542593	1.413859	2.2204435	-0.55636656	-0.29424098	-0.16526775	0.02142313	1.9248458	2.5018666	-0.9906997	-1.5220376	-0.3637714	-1.2723131	-1.4846787	-1.6645318	0.08459939	-0.6530796	-0.56616324	-0.43286952	1.6679201	1.5884355	-1.5392183	-1.2127748	-1.2369255	-2.1106896	0.8824445	1.1498579	-2.0227096	0.14125697	1.0459999	-0.88471794	-0.88807887	0.38616043	-1.7850046	-1.183086	-1.3150117	-0.9728681	2.1568413	1.7179465	0.39264256	-0.46279162	-0.67796135	-1.0537705	1.279118	1.8634622	-0.29723775	-0.06988052	-0.6528547	-0.8712497	-1.1488414	-0.3567234	-1.8812236	-0.56707287	-0.27565786	-1.724861	-2.2561758	-1.6574023	-1.4792223	-1.51163	-0.40063888	-1.4825635	1.1925235	1.2501975	-0.75408643	-1.3242545	-0.56409156	-1.4700414	-0.8142329	-0.7173026	-0.26854938	1.0146803	1.9611094	-1.4593365	0.70534855	0.53176814	-0.74024343	-1.0908495	-0.603153	-1.8104038	0.6157552	0.9717974	-1.432639	-1.4961766	-1.6539029	-1.519606	-1.1502248	-0.8957863	-1.8682817	0.3915867	-1.0682005	-1.3277624	1.5144054	2.5771382	-2.0990956	-1.4901325	-0.89313745	-1.7204126	-1.8179481	-2.4941704	-0.5987334	1.3771048	1.705816	-0.6381372	-0.604966	-0.97237384	-2.644871	-1.311821	-0.49896315	-0.8996695	0.16441856	0.5603841	-0.33515194	0.643141	0.07951408	-1.3759189	-1.3439132	-0.9221534	-0.23152655	0.19683269	1.0283264	-0.41729304	2.6246142	2.3205793	-0.73255575	1.8567193	2.0487676	-1.0227342	0.38763526	2.9413307	-0.9135483	1.5083029	1.3054436	-0.8708237	-1.0422016	2.114314	-0.704209	-0.27948907	0.72682226	-1.3101676	-1.2492169	-0.37959817	-1.4363345	1.396194	1.7210903	0.16232018	2.1641986	1.7909153	-1.7077063	0.020080449	0.70345896	-1.4892635	-1.6398082	-1.1274295	-1.1848934	0.98369455	1.9376118	-0.5323811	-0.8404573	-1.1099726	-0.0728056	2.2078912	3.2759714	-0.9099484	-1.0618147	-1.435084	-0.5323811	-0.8404573	-1.1099726	-0.0728056	2.2078912	3.2759714	-0.9099484	-1.0618147	-1.435084
Phenylacetylglutamine	-0.2983719	1.060994	1.9846649	0.5236139	0.13289835	0.8864495	-0.034782715	0.36870432	0.3783243	0.51021475	0.35847303	0.27098855	-0.0352252	0.9226892	1.267881	0.441159	-0.40315926	1.6746179	0.53848636	0.5559662	2.1338434	-0.21686262	-0.9336907	-0.14210044	0.6612485	1.5314637	0.39392275	-0.004128235	1.3885536	1.6702849	1.030764	1.2202318	0.5993102	0.38618907	1.3594791	1.1310626	-0.34509847	0.12851445	1.0864731	0.04235251	-1.4009335	1.1577675	-0.46847352	-1.1445667	1.5214324	0.27942693	-0.33606192	1.7906493	0.5141955	2.2682724	1.0625526	0.9965254	0.39348683	1.8598443	0.7826963	1.9773327	1.813816	-0.36178023	-0.15303968	1.0841705	0.6696279	0.7494459	1.1444273	0.91410166	0.29771966	1.3077114	0.5372818	-0.16562268	1.0625494	0.7209596	0.29282773	1.2004887	0.10385813	1.0577147	1.3741155	0.47872612	0.3135082	0.72191995	0.4676869	0.44119835	2.4326825	-1.1581936	-1.5762122	-0.33424446	0.40303963	0.305786	0.95765054	0.4612938	0.22969636	0.7759607	0.08514915	0.399131	1.1486539	0.24895108	0.4637422	0.26808125	0.9760629	0.18939076	0.30920464	0.7219167	1.350054	0.7448621	0.23247091	0.7547344	1.3775538	0.5172519	0.17854984	0.7831929	0.0977682	0.8963989	0.32884118	0.30009598	-0.28232768	1.0641472	-1.3839846	-1.6802063	-0.5974977	0.39430624	0.68745846	0.48938513	-0.21230501	-0.56894094	0.23091075	-0.6799657	-0.45458275	0.34844172	0.18513797	0.41000468	0.6897692	0.94449395	0.7468991	1.4065186	0.2566651	0.7516796	1.0980055	0.8263074	-0.1133257	1.26402	-0.021513037	-0.61120164	-0.37292925	0.6322214	-0.56823784	-0.10135071	-0.094793715	0.21396515	0.77312386	0.3649399	0.90492254	1.5071089	0.26840574	0.04952079	1.0774038	-0.42206818	-1.3656214	0.641666	-0.072594	-0.32550943	-0.6046086	0.6372723	-0.35621965	0.28641492	-1.2016834	-1.2251221	-1.6451237	0.015980316	0.17947742	-0.51973313	-2.1376963	-0.1975063	0.5865437	-1.8464894	-1.6752423	-0.3115285	-0.88585466	-0.31729886	0.42023924	-2.3958054	-1.1667336	-1.6805456	-0.24175821	-0.088457964	-0.301643	0.42165026	-1.3569748	0.25091115	-0.7942845	0.13934882	0.68594414	0.2598133	0.36719987	0.041721556	0.09883017	0.3927608	0.59068996	-0.17631283	-0.057123363	-0.13829833	-0.2110218	-0.45002514	0.1885402	-0.93213546	-0.30849338	0.6322525	0.084031455	0.44656718	0.6298418	-1.8465829	-2.0551252	-1.8220199	-0.8163908	0.13824424	0.16708781	0.6547276	0.30722818	0.5732576	-0.42699125	-0.37164602	-1.3307486	-1.5571411	-0.923938	-2.385256	-0.66311187	-0.35099992	0.038107917	-0.49495882	-0.49810046	-0.9344052	-1.1884089	0.28969097	-0.033637166	0.5595012	0.32353136	0.50837433	-0.35824853	-0.0704209	0.20700173	-1.0341089	0.0765813	0.631225	-0.16735986	-0.33414447	-0.5148854	0.17613584	-0.19545774	-0.71691823	-0.35869756	0.26040655	-0.565678	-0.5051114	0.002186211	1.7248844	-2.9229083	-2.260819	-1.4140884	-0.32068142	0.29898646	0.27256674	0.1960805	-0.3596661	0.37970585	0.022497978	-0.27187842	0.37627247	-1.1088908	-0.9287955	-2.4252405	-0.75856274	0.061482675	-0.20093474	-2.0042064	-0.207967	1.634055	-0.637995	0.569662	1.0602664	-2.0631406	-1.7546474	-0.42657825	-0.8962563	-0.62024146	0.32593882	-0.1513484	0.51759773	1.5784377	-1.9644171	-0.7425562	-0.29428956	-1.6577247	-1.1094037	-0.41350034	-0.80023676	-0.2958022	0.4163552	-1.7779139	-0.9723329	-1.5027447	0.009082445	-0.30050075	0.43173406	-0.24313648	-2.137095	-1.1714715	0.6420069	0.5357823	1.79532	-0.8882801	-1.9494659	-0.8924198	-0.24313648	-2.137095	-1.1714715	0.6420069	0.5357823	1.79532	-0.8882801	-1.9494659	-0.8924198
Tyrosine-glucuronide	0.28172943	3.6712518	2.4466987	0.5263473	0.43149573	0.88130414	-0.028639218	-0.54736495	-0.004593331	0.078725465	2.614546	-0.17400005	-0.29565805	3.4178953	1.8331275	-1.6952108	-0.43696356	0.85977185	0.274417	0.3852148	0.21147457	-1.5557972	1.7964593	1.0276438	0.057539754	3.2060952	2.116167	0.50667816	1.2429044	1.4059826	-1.4331387	3.4864893	1.4330773	0.018859494	0.45198324	0.48940593	-1.3748256	0.33061445	0.33848748	-3.5739148	-1.2973564	-0.53875124	-0.8302702	2.5596173	3.7359114	0.9041921	2.54158	2.4118807	0.67086506	3.929968	1.6859859	-1.5065273	-2.8391023	-1.047463	-0.3579013	4.2693286	2.148142	-0.5825502	0.48526105	0.026926434	-0.2566111	0.44419447	1.0859922	0.22557424	3.2445958	1.8683319	-0.107917756	-0.11332824	0.46742496	-0.8901739	2.0078897	1.3490855	-2.1979494	3.5055773	2.0089662	0.55482626	0.37391597	1.739782	-0.205799	2.812308	2.3234959	-0.009480929	0.2320974	-0.554206	-0.18958338	0.15179095	-2.975169	-2.5978878	-0.0551074	-0.2325046	-3.3191102	0.93783206	1.6750045	-3.604236	2.1191835	1.6515039	-2.8087559	-0.65086496	-2.9614577	-0.71301615	2.3572154	1.4485341	0.027851487	-1.0390782	0.6333151	-3.2837105	0.43365115	0.64065665	-0.15417904	-0.07539648	-3.1449716	0.17963086	0.12505817	1.8225862	0.31125095	0.16358602	-0.34878808	-2.4537027	0.79041487	0.1419652	-0.8392335	0.04792301	-0.6535782	-3.5861886	1.5035284	1.3971239	-0.82399553	-0.022387177	-0.47140157	-0.003481404	0.66170853	0.898852	0.21433173	-0.2165752	0.45783034	-0.5324107	-2.2026265	-0.77325183	-3.6101575	2.5727074	1.4964312	-2.6853664	-3.336211	-1.8070142	0.11187501	1.0232983	2.1696467	0.30235577	3.01E-04	-1.4427524	0.5080021	1.379473	1.8157436	-0.3814799	-3.4010124	-1.1213143	-2.9343064	-3.7043598	-3.5358589	0.06791103	-1.0795892	-1.613214	-0.31892803	0.44059888	0.48715895	-3.3693013	-0.054257546	-0.74866897	-1.3243983	-0.91015136	3.0765789	-3.7043598	1.8803606	1.9008763	-0.6372426	-0.23690502	0.8046167	-1.038499	-0.8710325	0.76518893	-1.5341724	1.423026	2.5802472	-3.592252	-3.6885607	-1.0197741	-0.37934104	2.1694002	1.0727788	-0.75779754	0.18473451	-0.60243917	-0.22148569	0.6284408	-0.07663491	-3.7299836	1.50955	2.2392325	-0.6602903	0.26651105	-0.6694495	-3.7644665	-1.0876008	-1.4529471	-3.6832206	2.7306333	1.895341	-3.5861886	-3.7299836	-3.666972	-1.3965694	-1.0212716	-0.72046536	0.26098636	2.2782664	2.327686	-1.4753544	2.8695805	-1.168561	-3.0782902	-2.9457774	-0.9845848	-1.3449738	2.3899686	2.2322993	-2.0896337	-3.666972	-3.888618	-3.408738	-3.2075512	-2.6337516	-0.79940313	2.075803	0.54919946	-3.3932076	2.7736304	3.3660169	-3.3446195	-1.7468134	0.09759351	-0.3479395	-0.76452595	-1.0495552	-3.592252	1.990175	1.4128674	-0.6783173	-0.22918919	-0.51108056	-0.841221	-0.5459364	0.9185654	-1.3334664	2.6327856	2.6037624	-0.2756894	-0.19576776	-0.88365954	-0.049808078	-0.34759492	-0.066619776	-0.21809986	0.5910206	0.6898792	-1.0706662	2.0246706	2.4100366	-0.57731026	2.3848276	2.4827623	0.19143273	-0.36920318	4.353009	-1.0165774	2.2243688	3.259869	-0.579427	0.363176	3.002951	-1.8740412	-0.20230854	-0.014977434	-0.38665697	-1.0427384	0.012355691	-2.052764	2.838603	3.2342749	-0.25466743	2.8384957	2.230743	-2.0541158	2.7609034	2.7824633	-0.3820946	-0.078092165	-0.7335816	-0.70791197	1.3171492	3.035776	-1.2651447	-0.13992545	-0.5520541	0.4117753	0.77596664	3.5124807	0.6221007	0.18333359	0.7519635	-1.2651447	-0.13992545	-0.5520541	0.4117753	0.77596664	3.5124807	0.6221007	0.18333359	0.7519635
Tyramine	-0.5606234	4.0664296	-0.27109674	0.78454167	-0.52043355	1.8996713	0.6011308	-0.5323158	0.91813576	1.3307022	-1.2149211	0.37445587	0.70124114	-1.2147387	-0.1315232	-0.20386688	-1.0724956	0.23379596	-0.5879407	-0.028648498	0.2851739	-1.7538482	3.0686057	-2.0522537	-0.126649	0.094236724	-1.348388	-0.28289977	-0.33098733	0.29176506	-0.41513926	1.8378015	-1.6224413	1.2093962	1.9387794	0.9233535	-0.53016895	0.8657961	0.9427205	0.05780091	-1.8647531	0.04820509	1.7188729	3.9226694	5.1012845	0.629652	-1.1718292	-0.13633119	0.9859741	0.72697717	3.839908	-0.13242584	-0.96597916	0.5724031	-0.83362216	0.120293565	-0.34631455	-1.5030951	1.2621859	-0.1962575	-1.0023552	-0.47485194	0.9307966	-0.35558113	-1.022065	-0.7369308	0.5722985	-1.0992504	-0.068636395	-0.6668177	-1.4707588	-0.689553	-0.7158079	-0.45351475	-1.0993706	0.5256409	2.08214	-1.5935766	0.018377976	-1.7535326	-0.5884498	0.44216886	0.38589138	0.5888407	-1.1629913	-1.0129335	-0.9152915	-0.7392471	2.4847393	3.5855489	-1.4153159	2.9057214	-0.7970987	1.0554676	3.0008616	2.968211	-0.24824391	-0.39602554	0.014884336	1.1917657	4.105847	-0.7559445	-0.53060603	-0.019359183	1.0581262	-0.23306476	-1.2631308	3.1744928	0.054002065	0.006684022	-0.21750832	1.3536525	2.7972317	-1.249877	1.2372577	0.9879209	1.2421052	-1.1139641	-1.1316367	2.7940693	-1.0939853	-0.86079395	0.553201	-1.6755115	-1.4872946	-1.418803	-0.4764286	-0.9474674	-0.6836755	0.79030424	-1.1767359	-0.9338578	-0.029288782	-0.5486457	-0.20331037	-0.75624645	-1.1295627	-0.04652321	-0.7667332	3.3931804	2.8194313	-0.70601404	-0.54624814	-0.8338079	0.685082	-1.3596475	3.7611516	0.5912577	-1.002191	0.60847265	1.156104	-1.1856025	-1.0731632	-2.275124	-0.18037833	0.40034452	0.6913875	0.18433173	-0.98601955	0.6966085	-1.4871491	0.09075542	-0.03763131	2.8283393	-1.3575941	-1.0664343	-0.38684857	-1.9383261	-1.5684276	3.3157177	-0.7904906	-0.9168	-1.7364216	-2.56	-0.44602162	-0.7833066	0.5281715	-0.85081697	-0.7182132	0.07824455	-0.7840501	3.3993392	-0.82727516	-1.0164934	-1.9398845	-1.0341039	-1.2974724	3.0925157	-1.4916337	-1.2449249	1.1101698	0.7891659	-0.39137796	-0.16031328	-0.34858802	-1.3756267	2.6276472	-2.2506828	-1.1350863	-1.0213573	-0.94606864	0.97222745	-1.0198832	1.3193303	-1.0034442	-1.5845034	-1.59755	-0.7850677	-1.0302576	-0.91875595	-1.2758709	0.18633635	-1.1590813	0.03953463	-0.8242445	-1.899861	0.029008903	-1.6211984	-1.9779509	1.0838414	-0.7540665	0.8273557	-1.7717295	2.3693554	2.3252435	-1.0393618	-1.258693	-1.6843567	-0.67175037	-0.7247245	0.13634157	-0.34462228	2.5814183	0.7308708	0.6987319	-0.48332238	-1.2067527	-1.3562961	0.83794504	1.8913866	-0.3268125	0.025613317	-1.4080993	-1.1473659	-1.5410167	-2.3070889	0.7087693	0.10280653	-0.8813844	-0.5634566	-1.2609749	1.936726	0.6597811	-0.9007767	0.8566341	1.1380318	0.3867648	-0.07052867	-0.122113764	-0.6729803	-0.5541115	-1.0546864	1.4417428	2.4288902	-0.73999584	3.5847008	-1.4547329	0.47023615	2.9418464	-1.3472574	-0.6459065	-0.7564445	0.601273	-0.9366235	3.0939975	3.2263675	0.82147235	2.0157316	4.1346908	-1.471394	0.94762325	-1.077097	-0.9489097	-0.26023203	0.6453416	-0.097384244	-1.0089581	-0.9189124	-0.40196407	2.0348837	1.8864819	-0.12907572	-1.3808581	-0.42630008	-0.49955156	-2.0679953	0.55401987	-1.0167967	2.1351752	-1.2855979	0.15953857	0.23173809	-0.8337306	0.3581598	2.142869	0.6345262	1.1614691	-0.43812454	-1.2781813	0.15953857	0.23173809	-0.8337306	0.3581598	2.142869	0.6345262	1.1614691	-0.43812454	-1.2781813
HPPA-hydrate	-0.061139688	1.82233	2.0763383	-0.6513562	-0.36818048	0.22176002	-0.9644412	-1.0511878	-0.10128872	-0.4772754	1.3205107	-0.01118345	-1.2138381	1.007605	2.1250007	-1.2318358	-2.9644132	-0.89440477	-0.8974075	-0.6303866	1.6878219	-0.64903235	0.11623281	2.0550137	-0.025451126	1.1685652	1.8354224	0.53262925	0.72689116	0.62524325	0.012428925	1.0290824	1.836835	-0.41188917	0.7667383	0.29188037	-0.8994916	-0.79271245	0.3988847	-1.2452656	-2.2570195	0.45532018	-0.4624193	0.17302424	3.4639838	-0.13229565	-0.48862514	1.713759	0.14665937	2.596265	1.0646571	-0.48797777	-1.8534096	1.5535939	0.30348113	2.5105824	2.0420873	-0.034451965	-0.3437496	0.98049754	0.08048774	-0.02985509	-0.13493997	0.19953921	0.90026164	2.9277635	-0.38704342	-1.045226	0.063071266	0.068013616	0.07639616	0.82684153	-0.74627715	2.153324	1.59638	0.06954887	1.272068	1.6140046	-0.08975576	-0.2302483	1.9712875	-0.4924189	-0.9242276	-0.9279979	0.007461553	0.18102579	0.61090934	-0.58593285	-0.4832784	1.1931639	-1.2148092	1.1360407	1.8620803	-1.1758717	2.0334942	1.5556885	0.53872347	0.4108713	0.39906874	-0.20761907	2.965294	1.9265318	-0.88537085	0.13650832	0.14457041	0.87329704	0.2897042	2.3216753	-0.7993572	-0.13964903	-0.5425922	-0.62305737	0.78111976	1.9701912	-1.0763782	-0.96336037	0.013077089	-0.556893	0.5211649	1.785957	0.18510284	-0.8814439	-0.6684563	-1.180082	1.7755218	2.6150062	-1.69454	-1.4648407	-0.56289357	-0.16371182	1.9406332	2.1110795	-0.8198425	-0.4969415	1.7835532	0.28608644	-1.196144	-0.29270127	0.10153975	2.3906333	1.6420307	0.2586755	0.011988206	0.45067728	-0.29624397	1.6044993	0.78145796	-0.011525693	0.33456394	1.7233483	-0.5218978	2.1789744	2.9442863	-0.9673672	-0.5366159	1.2356586	-0.99814165	-1.3330446	-0.7047632	0.5930675	-0.21607426	-0.4016614	0.4765675	0.33513865	0.5863817	-1.4150733	-1.1457552	-1.0784752	-1.4136074	1.2577616	2.2369676	-0.7993741	-0.57735014	0.41724074	-1.1991314	-1.2356343	-0.35954204	-1.9902359	-1.1923834	-1.2669723	-0.74948406	-0.944608	-0.022206271	-0.2005942	-0.6672859	-0.15860078	-1.164995	1.5117489	2.2875252	-0.7794424	-1.2357175	-1.3957139	-0.6299822	-1.0302528	-0.47014156	-0.94897807	0.3027232	1.1699802	-1.6886129	-1.4172962	-0.23314042	-1.3050662	-1.3105575	-0.250414	-1.0406073	1.0530531	1.3861068	-0.98728997	-0.8111395	-0.5250111	-1.3926756	-1.3789666	-0.8864904	-0.9631965	-0.45999292	-0.3731309	-1.5666629	1.7220405	1.9361324	-1.3928436	-0.6913503	-1.1877276	-1.1572889	1.0769932	1.5326065	-1.1392767	-0.6570662	-1.3754126	-0.61353916	-0.5842144	-1.4323113	-0.41837806	0.69298	-1.0576129	-0.2920628	0.7907849	1.5956535	-1.1451101	-1.2037153	-0.6246314	-1.3049201	-1.4414631	-1.7579721	-0.9005643	-0.11113467	-0.2844963	-0.47717452	-0.36505267	-0.8792839	-1.9516883	-0.8031113	0.25574464	-0.5890413	-0.12606828	0.2731264	-0.6708617	-0.5554926	-0.6170423	-1.4590741	-0.8039056	-0.6526703	0.07568342	-0.6807577	0.78536797	-0.60310316	-0.4242882	-0.38551784	-0.9125275	0.61118865	-0.028014723	0.9272585	0.439309	2.0132115	-0.6812347	1.255344	1.2869604	-0.6415692	-1.17868	0.83626616	-1.0502765	-0.7674825	0.01511037	-1.3710603	-1.1803217	-0.17523833	-1.2904886	0.40265262	0.58692086	-0.50728464	-0.20899612	0.47045234	-0.6123187	1.220629	1.3916627	-1.8133098	-1.6047415	-1.5027094	-0.10834587	-0.62878513	2.0995924	0.18022265	0.16527613	-0.26341686	0.11748232	1.8073972	1.9291996	-0.17921448	-0.112309925	-0.15622121	0.18022265	0.16527613	-0.26341686	0.11748232	1.8073972	1.9291996	-0.17921448	-0.112309925	-0.15622121
HGA-glucuronide	1.8749039	-0.010741855	-2.5747595	1.5340134	1.4945592	-0.2122038	1.4432993	1.3268226	1.5470327	1.896982	-3.655856	1.6049803	1.6228529	-0.42789984	-3.3351114	1.7568312	1.5376852	2.279554	1.8907217	1.7932562	2.4966013	1.7066629	-3.7672632	-3.771344	1.8181522	-3.03589	-3.2678518	1.8982928	2.1366959	2.8868039	1.6933163	0.54726	-3.141006	1.7564622	1.8624805	1.8208898	1.3258803	1.4174627	2.133647	0.6906674	0.5754084	1.779483	2.1102448	-3.3189409	-2.8455782	2.5033314	-3.3887227	-2.548356	1.8731865	-2.5747595	-3.03589	1.9403251	1.5087919	2.8527594	1.9580866	-2.810608	-2.9691513	1.4947661	1.8006955	2.3928742	1.9624211	1.6495879	2.121925	1.9236501	-0.21770598	-3.1190789	1.1812146	0.96924293	1.6743903	1.8239865	-3.7379537	-3.1622143	1.299348	0.4613247	-3.2123783	1.5631751	-3.7027454	-3.53305	1.7161742	-3.6936355	-2.548356	1.3423693	1.0697868	1.4137067	2.0427508	1.1915805	1.7231596	1.7122065	-3.2678518	-2.7736382	1.19331	-3.1927772	-3.3023553	1.400508	-3.5561523	-3.5504537	1.9898952	1.9311259	1.7676743	1.5792669	-3.202652	-3.2766516	1.2012573	1.3285927	1.7935785	1.413787	-3.5447044	-3.3738532	1.1522516	1.3340919	1.5624739	1.6303219	-3.6655097	-3.3189409	1.5782155	1.7530216	1.827649	1.8889003	-3.5447044	-3.3813305	1.6131663	1.5509431	1.6860338	1.3237818	-3.5029612	-3.509092	1.4641302	1.2513243	1.4572239	1.562939	-3.5029612	-2.9255307	1.3401225	1.4298023	1.2722697	1.9954427	1.3155864	2.1231215	1.5277591	-3.655856	-3.583916	1.8735029	1.4456042	2.045241	1.7102646	-3.6259985	-3.2407095	1.7053632	1.7919619	1.9724648	1.6088215	-3.3508875	-3.0484495	1.4925163	0.9590804	1.6660256	1.4830977	1.2512876	1.1864628	2.038883	1.4349052	1.5507588	1.8554361	-3.7027454	-3.53305	0.6245369	0.9856798	0.8281481	0.8490773	-3.47784	-3.0230818	0.5727131	-3.837045	-3.7027454	1.2924498	1.1789173	1.7647618	1.3928181	1.459811	1.6834339	1.2747371	-3.5151653	-3.2407095	1.7221522	-3.7027454	1.3335865	1.4823337	-3.6208856	-3.6000195	1.5036502	1.7211047	1.423339	1.5491098	1.5868299	1.9742122	0.57823026	-3.6052995	-3.7631567	0.75210685	0.78600717	0.97850156	1.0889887	1.1541791	1.4018754	1.2425257	-3.6982064	-3.5784576	1.0371097	1.1042545	1.5432796	1.0195357	1.4391892	1.5414724	1.3059961	-3.445001	-3.2123783	1.1383716	-0.5729179	-3.5504537	0.8080668	0.8590217	1.1903788	1.342182	-3.5893285	-3.6157317	0.958746	0.946096	0.891804	0.89599484	1.098964	1.0633812	1.1382099	-0.70111513	0.33260843	1.4160573	-3.521182	-3.3586338	1.2251872	1.3214705	1.9461348	1.2079948	0.9636924	0.8271938	1.5281721	-3.7464643	-4.066636	1.5828651	1.4818928	1.3608361	1.0180733	1.472184	2.309032	1.4084272	-3.3738532	-2.8455782	1.4216993	1.3873433	1.558277	0.96810603	1.1466224	1.5252395	1.5273136	1.7584246	2.6082904	1.0304921	-3.396031	-3.3813305	1.3494325	-0.44050884	-3.7293296	1.381496	-3.6105366	-2.520829	1.6479038	-3.594696	-3.3508875	1.403754	0.05229493	0.11963632	1.3982043	1.645132	2.2745864	1.3131486	1.4624169	2.148289	1.2983223	-3.5561523	-3.182749	1.5500175	-0.33042663	-3.53305	0.7846099	-3.396031	-3.2407095	0.93496895	0.95006245	1.2244273	1.2957493	-3.79921	-3.5784576	1.9389912	1.5044172	1.5813931	1.673037	-3.3430476	-2.8787544	1.6921508	1.313931	1.469599	1.9389912	1.5044172	1.5813931	1.673037	-3.3430476	-2.8787544	1.6921508	1.313931	1.469599
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention time	neutral mass	formula	CAS-ID	KEGG-ID
Phenylalanine	3.700001	165.0795	C9 H11 N O2	63-91-2	C00079
Phenylalanine hydrate	2.1599956	183.0869	C9 H13 N O3
Phenylpyruvic acid	4.729989	164.0472	C9 H8 O3	156-06-9	C00166
Phenylacetamide	4.849985	135.0685	C8 H9 N O	103-81-1	C02505
Phenylacetylglutamine	5.5200124	264.1114	C13 H16 N2 O4	28047-15-6	C04148
Tyrosine-glucuronide	3.9200032	357.1009	C15 H19 N O9
Tyramine	2.3599906	137.0841	C8 H11 N O	51-67-2	C00483
HPPA-hydrate	3.6199958	198.0528	C9 H10 O5
HGA-glucuronide	2.4600058	344.0737	C14 H16 O10
METABOLITES_END
#END