#METABOLOMICS WORKBENCH jimenezsousa_20220609_081253 DATATRACK_ID:3299 STUDY_ID:ST002194 ANALYSIS_ID:AN003592 PROJECT_ID:PR001398
VERSION             	1
CREATED_ON             	June 13, 2022, 10:07 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolic profiling at COVID-19 onset shows disease severity and sex-specific
PR:PROJECT_TITLE                 	dysregulation
PR:PROJECT_SUMMARY               	Metabolic phenoconversion through SARS-CoV-2 infection has been reported but not
PR:PROJECT_SUMMARY               	fully understood. The metabolic dysregulation affects multiple organs and an
PR:PROJECT_SUMMARY               	early detection can be used for better diagnose COVID-19 disease outcome. This
PR:PROJECT_SUMMARY               	project aims to characterize metabolic profile at COVID-19 and its relationship
PR:PROJECT_SUMMARY               	with severity to predict disease progression.
PR:INSTITUTE                     	CEMBIO
PR:LAST_NAME                     	Barbas
PR:FIRST_NAME                    	Coral
PR:ADDRESS                       	CEU Universities, Urbanización Montepríncipe
PR:EMAIL                         	cbarbas@ceu.es
PR:PHONE                         	+34 913724700
#STUDY
ST:STUDY_TITLE                   	Metabolic profiling at COVID-19 onset shows disease severity and sex-specific
ST:STUDY_TITLE                   	dysregulation
ST:STUDY_SUMMARY                 	In this study CE-MS and GC-MS based metabolomics was used to analyze COVID-19
ST:STUDY_SUMMARY                 	disease. In total, 144 individuals classified as healthy, asymptomatic/mils,
ST:STUDY_SUMMARY                 	moderate and severe according to the highest COVID-19 severity status, were
ST:STUDY_SUMMARY                 	analyzed.
ST:INSTITUTE                     	CEMBIO
ST:LAST_NAME                     	Barbas
ST:FIRST_NAME                    	Coral
ST:ADDRESS                       	CEU Universities, Urbanización Montepríncipe
ST:EMAIL                         	cbarbas@ceu.es
ST:PHONE                         	+34 913724700
#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           	-	CNMI_1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=51; RAW_FILE_NAME=CNMI_1
SUBJECT_SAMPLE_FACTORS           	-	CNMI_2	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=61; RAW_FILE_NAME=CNMI_2
SUBJECT_SAMPLE_FACTORS           	-	CNMI_3	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_3
SUBJECT_SAMPLE_FACTORS           	-	CNMI_4	Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0	Age=49; RAW_FILE_NAME=CNMI_4
SUBJECT_SAMPLE_FACTORS           	-	CNMI_5	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=55; RAW_FILE_NAME=CNMI_5
SUBJECT_SAMPLE_FACTORS           	-	CNMI_6	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=74; RAW_FILE_NAME=CNMI_6
SUBJECT_SAMPLE_FACTORS           	-	CNMI_7	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=85; RAW_FILE_NAME=CNMI_7
SUBJECT_SAMPLE_FACTORS           	-	CNMI_8	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=89; RAW_FILE_NAME=CNMI_8
SUBJECT_SAMPLE_FACTORS           	-	CNMI_9	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=76; RAW_FILE_NAME=CNMI_9
SUBJECT_SAMPLE_FACTORS           	-	CNMI_10	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=71; RAW_FILE_NAME=CNMI_10
SUBJECT_SAMPLE_FACTORS           	-	CNMI_11	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=97; RAW_FILE_NAME=CNMI_11
SUBJECT_SAMPLE_FACTORS           	-	CNMI_12	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=67; RAW_FILE_NAME=CNMI_12
SUBJECT_SAMPLE_FACTORS           	-	CNMI_13	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_13
SUBJECT_SAMPLE_FACTORS           	-	CNMI_14	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=64; RAW_FILE_NAME=CNMI_14
SUBJECT_SAMPLE_FACTORS           	-	CNMI_15	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=49; RAW_FILE_NAME=CNMI_15
SUBJECT_SAMPLE_FACTORS           	-	CNMI_16	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=72; RAW_FILE_NAME=CNMI_16
SUBJECT_SAMPLE_FACTORS           	-	CNMI_17	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=51; RAW_FILE_NAME=CNMI_17
SUBJECT_SAMPLE_FACTORS           	-	CNMI_18	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=57; RAW_FILE_NAME=CNMI_18
SUBJECT_SAMPLE_FACTORS           	-	CNMI_19	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=64; RAW_FILE_NAME=CNMI_19
SUBJECT_SAMPLE_FACTORS           	-	CNMI_20_Bis	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=69; RAW_FILE_NAME=CNMI_20_Bis
SUBJECT_SAMPLE_FACTORS           	-	CNMI_21	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=18; RAW_FILE_NAME=CNMI_21
SUBJECT_SAMPLE_FACTORS           	-	CNMI_22	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_22
SUBJECT_SAMPLE_FACTORS           	-	CNMI_23	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=62; RAW_FILE_NAME=CNMI_23
SUBJECT_SAMPLE_FACTORS           	-	CNMI_24	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=84; RAW_FILE_NAME=CNMI_24
SUBJECT_SAMPLE_FACTORS           	-	CNMI_25	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=63; RAW_FILE_NAME=CNMI_25
SUBJECT_SAMPLE_FACTORS           	-	CNMI_26	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=32; RAW_FILE_NAME=CNMI_26
SUBJECT_SAMPLE_FACTORS           	-	CNMI_27	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=48; RAW_FILE_NAME=CNMI_27
SUBJECT_SAMPLE_FACTORS           	-	CNMI_28	Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=51; RAW_FILE_NAME=CNMI_28
SUBJECT_SAMPLE_FACTORS           	-	CNMI_29	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=57; RAW_FILE_NAME=CNMI_29
SUBJECT_SAMPLE_FACTORS           	-	CNMI_30	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=42; RAW_FILE_NAME=CNMI_30
SUBJECT_SAMPLE_FACTORS           	-	CNMI_31	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=82; RAW_FILE_NAME=CNMI_31
SUBJECT_SAMPLE_FACTORS           	-	CNMI_32	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Age=81; RAW_FILE_NAME=CNMI_32
SUBJECT_SAMPLE_FACTORS           	-	CNMI_33	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=65; RAW_FILE_NAME=CNMI_33
SUBJECT_SAMPLE_FACTORS           	-	CNMI_34_Bis	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_34_Bis
SUBJECT_SAMPLE_FACTORS           	-	CNMI_35	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=82; RAW_FILE_NAME=CNMI_35
SUBJECT_SAMPLE_FACTORS           	-	CNMI_36	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=63; RAW_FILE_NAME=CNMI_36
SUBJECT_SAMPLE_FACTORS           	-	CNMI_37	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=50; RAW_FILE_NAME=CNMI_37
SUBJECT_SAMPLE_FACTORS           	-	CNMI_38	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=47; RAW_FILE_NAME=CNMI_38
SUBJECT_SAMPLE_FACTORS           	-	CNMI_39	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=90; RAW_FILE_NAME=CNMI_39
SUBJECT_SAMPLE_FACTORS           	-	CNMI_40	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=52; RAW_FILE_NAME=CNMI_40
SUBJECT_SAMPLE_FACTORS           	-	CNMI_41	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=60; RAW_FILE_NAME=CNMI_41
SUBJECT_SAMPLE_FACTORS           	-	CNMI_42	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=59; RAW_FILE_NAME=CNMI_42
SUBJECT_SAMPLE_FACTORS           	-	CNMI_43	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=55; RAW_FILE_NAME=CNMI_43
SUBJECT_SAMPLE_FACTORS           	-	CNMI_44	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=86; RAW_FILE_NAME=CNMI_44
SUBJECT_SAMPLE_FACTORS           	-	CNMI_45	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=57; RAW_FILE_NAME=CNMI_45
SUBJECT_SAMPLE_FACTORS           	-	CNMI_46	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=70; RAW_FILE_NAME=CNMI_46
SUBJECT_SAMPLE_FACTORS           	-	CNMI_47	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=41; RAW_FILE_NAME=CNMI_47
SUBJECT_SAMPLE_FACTORS           	-	CNMI_48	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=75; RAW_FILE_NAME=CNMI_48
SUBJECT_SAMPLE_FACTORS           	-	CNMI_49	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=79; RAW_FILE_NAME=CNMI_49
SUBJECT_SAMPLE_FACTORS           	-	CNMI_50	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=61; RAW_FILE_NAME=CNMI_50
SUBJECT_SAMPLE_FACTORS           	-	CNMI_51	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=55; RAW_FILE_NAME=CNMI_51
SUBJECT_SAMPLE_FACTORS           	-	CNMI_52	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=60; RAW_FILE_NAME=CNMI_52
SUBJECT_SAMPLE_FACTORS           	-	CNMI_53	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=36; RAW_FILE_NAME=CNMI_53
SUBJECT_SAMPLE_FACTORS           	-	CNMI_54	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=62; RAW_FILE_NAME=CNMI_54
SUBJECT_SAMPLE_FACTORS           	-	CNMI_55	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=72; RAW_FILE_NAME=CNMI_55
SUBJECT_SAMPLE_FACTORS           	-	CNMI_56	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=93; RAW_FILE_NAME=CNMI_56
SUBJECT_SAMPLE_FACTORS           	-	CNMI_58	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=77; RAW_FILE_NAME=CNMI_58
SUBJECT_SAMPLE_FACTORS           	-	CNMI_59	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=75; RAW_FILE_NAME=CNMI_59
SUBJECT_SAMPLE_FACTORS           	-	CNMI_60	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=58; RAW_FILE_NAME=CNMI_60
SUBJECT_SAMPLE_FACTORS           	-	CNMI_61	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=69; RAW_FILE_NAME=CNMI_61
SUBJECT_SAMPLE_FACTORS           	-	CNMI_62	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=55; RAW_FILE_NAME=CNMI_62
SUBJECT_SAMPLE_FACTORS           	-	CNMI_63	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=59; RAW_FILE_NAME=CNMI_63
SUBJECT_SAMPLE_FACTORS           	-	CNMI_64	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=38; RAW_FILE_NAME=CNMI_64
SUBJECT_SAMPLE_FACTORS           	-	CNMI_66	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=48; RAW_FILE_NAME=CNMI_66
SUBJECT_SAMPLE_FACTORS           	-	CNMI_67	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=91; RAW_FILE_NAME=CNMI_67
SUBJECT_SAMPLE_FACTORS           	-	CNMI_68	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=60; RAW_FILE_NAME=CNMI_68
SUBJECT_SAMPLE_FACTORS           	-	CNMI_69	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=63; RAW_FILE_NAME=CNMI_69
SUBJECT_SAMPLE_FACTORS           	-	CNMI_70	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=77; RAW_FILE_NAME=CNMI_70
SUBJECT_SAMPLE_FACTORS           	-	CNMI_71	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=47; RAW_FILE_NAME=CNMI_71
SUBJECT_SAMPLE_FACTORS           	-	CNMI_72	Label:Moderate | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=65; RAW_FILE_NAME=CNMI_72
SUBJECT_SAMPLE_FACTORS           	-	CNMI_73	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=CNMI_73
SUBJECT_SAMPLE_FACTORS           	-	CNMI_74	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=61; RAW_FILE_NAME=CNMI_74
SUBJECT_SAMPLE_FACTORS           	-	CNMI_75	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=59; RAW_FILE_NAME=CNMI_75
SUBJECT_SAMPLE_FACTORS           	-	CNMI_76	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=84; RAW_FILE_NAME=CNMI_76
SUBJECT_SAMPLE_FACTORS           	-	CNMI_78	Label:Moderate | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=57; RAW_FILE_NAME=CNMI_78
SUBJECT_SAMPLE_FACTORS           	-	CNMI_79	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=76; RAW_FILE_NAME=CNMI_79
SUBJECT_SAMPLE_FACTORS           	-	CNMI_81	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=87; RAW_FILE_NAME=CNMI_81
SUBJECT_SAMPLE_FACTORS           	-	CNMI_82	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=57; RAW_FILE_NAME=CNMI_82
SUBJECT_SAMPLE_FACTORS           	-	CNMI_83	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=84; RAW_FILE_NAME=CNMI_83
SUBJECT_SAMPLE_FACTORS           	-	CNMI_85	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=53; RAW_FILE_NAME=CNMI_85
SUBJECT_SAMPLE_FACTORS           	-	CNMI_86	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=58; RAW_FILE_NAME=CNMI_86
SUBJECT_SAMPLE_FACTORS           	-	CNMI_87	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=49; RAW_FILE_NAME=CNMI_87
SUBJECT_SAMPLE_FACTORS           	-	CNMI_88	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=88; RAW_FILE_NAME=CNMI_88
SUBJECT_SAMPLE_FACTORS           	-	CNMI_89	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=56; RAW_FILE_NAME=CNMI_89
SUBJECT_SAMPLE_FACTORS           	-	CNMI_90	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=49; RAW_FILE_NAME=CNMI_90
SUBJECT_SAMPLE_FACTORS           	-	CNMI_91	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=56; RAW_FILE_NAME=CNMI_91
SUBJECT_SAMPLE_FACTORS           	-	CNMI_92	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=92; RAW_FILE_NAME=CNMI_92
SUBJECT_SAMPLE_FACTORS           	-	CNMI_93_Bis	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Age=60; RAW_FILE_NAME=CNMI_93_Bis
SUBJECT_SAMPLE_FACTORS           	-	CNMI_94	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=66; RAW_FILE_NAME=CNMI_94
SUBJECT_SAMPLE_FACTORS           	-	CNMI_95	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=27; RAW_FILE_NAME=CNMI_95
SUBJECT_SAMPLE_FACTORS           	-	CNMI_96	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=80; RAW_FILE_NAME=CNMI_96
SUBJECT_SAMPLE_FACTORS           	-	CNMI_97	Label:Severe | Gender:0 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=55; RAW_FILE_NAME=CNMI_97
SUBJECT_SAMPLE_FACTORS           	-	CNMI_246	Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=76; RAW_FILE_NAME=CNMI_246
SUBJECT_SAMPLE_FACTORS           	-	CNMI_317	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=81; RAW_FILE_NAME=CNMI_317
SUBJECT_SAMPLE_FACTORS           	-	CNMI_611	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=82; RAW_FILE_NAME=CNMI_611
SUBJECT_SAMPLE_FACTORS           	-	CNMI_617	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=86; RAW_FILE_NAME=CNMI_617
SUBJECT_SAMPLE_FACTORS           	-	CS_11	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=67; RAW_FILE_NAME=CS_11
SUBJECT_SAMPLE_FACTORS           	-	CS_15	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=72; RAW_FILE_NAME=CS_15
SUBJECT_SAMPLE_FACTORS           	-	CS_41	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=67; RAW_FILE_NAME=CS_41
SUBJECT_SAMPLE_FACTORS           	-	CS_42	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=77; RAW_FILE_NAME=CS_42
SUBJECT_SAMPLE_FACTORS           	-	CS_48	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=65; RAW_FILE_NAME=CS_48
SUBJECT_SAMPLE_FACTORS           	-	CS_5	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=69; RAW_FILE_NAME=CS_5
SUBJECT_SAMPLE_FACTORS           	-	CS_54	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=44; RAW_FILE_NAME=CS_54
SUBJECT_SAMPLE_FACTORS           	-	CS_55	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=52; RAW_FILE_NAME=CS_55
SUBJECT_SAMPLE_FACTORS           	-	CS_66	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=69; RAW_FILE_NAME=CS_66
SUBJECT_SAMPLE_FACTORS           	-	CS_77	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=54; RAW_FILE_NAME=CS_77
SUBJECT_SAMPLE_FACTORS           	-	CS_78	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=63; RAW_FILE_NAME=CS_78
SUBJECT_SAMPLE_FACTORS           	-	CS_79	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=65; RAW_FILE_NAME=CS_79
SUBJECT_SAMPLE_FACTORS           	-	CS_84	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=67; RAW_FILE_NAME=CS_84
SUBJECT_SAMPLE_FACTORS           	-	CS_86	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=67; RAW_FILE_NAME=CS_86
SUBJECT_SAMPLE_FACTORS           	-	CS_87	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=63; RAW_FILE_NAME=CS_87
SUBJECT_SAMPLE_FACTORS           	-	HUPA_65	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=38; RAW_FILE_NAME=HUPA_65
SUBJECT_SAMPLE_FACTORS           	-	HUPA_66	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=59; RAW_FILE_NAME=HUPA_66
SUBJECT_SAMPLE_FACTORS           	-	HUPA_67	Label:AM | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0	Age=39; RAW_FILE_NAME=HUPA_67
SUBJECT_SAMPLE_FACTORS           	-	HUPA_73	Label:AM | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=74; RAW_FILE_NAME=HUPA_73
SUBJECT_SAMPLE_FACTORS           	-	HUPA_76	Label:AM | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Age=90; RAW_FILE_NAME=HUPA_76
SUBJECT_SAMPLE_FACTORS           	-	HUPA_77_Bis	Label:AM | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=65; RAW_FILE_NAME=HUPA_77_Bis
SUBJECT_SAMPLE_FACTORS           	-	HUPA_78	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=47; RAW_FILE_NAME=HUPA_78
SUBJECT_SAMPLE_FACTORS           	-	HUPA_81	Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=46; RAW_FILE_NAME=HUPA_81
SUBJECT_SAMPLE_FACTORS           	-	HUPA_83	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=33; RAW_FILE_NAME=HUPA_83
SUBJECT_SAMPLE_FACTORS           	-	HUPA_85	Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=71; RAW_FILE_NAME=HUPA_85
SUBJECT_SAMPLE_FACTORS           	-	HUPA_93	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=68; RAW_FILE_NAME=HUPA_93
SUBJECT_SAMPLE_FACTORS           	-	HUPA_97	Label:AM | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Age=72; RAW_FILE_NAME=HUPA_97
SUBJECT_SAMPLE_FACTORS           	-	HT_11	Label:Severe | Gender:1 | HTA:0 | Obesity:2 | Dyspnoea:0	Age=87; RAW_FILE_NAME=HT_11
SUBJECT_SAMPLE_FACTORS           	-	HT_12	Label:AM | Gender:0 | HTA:1 | Obesity:2 | Dyspnoea:0	Age=75; RAW_FILE_NAME=HT_12
SUBJECT_SAMPLE_FACTORS           	-	HT_13	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=39; RAW_FILE_NAME=HT_13
SUBJECT_SAMPLE_FACTORS           	-	HT_14	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=20; RAW_FILE_NAME=HT_14
SUBJECT_SAMPLE_FACTORS           	-	HT_15	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=19; RAW_FILE_NAME=HT_15
SUBJECT_SAMPLE_FACTORS           	-	HT_16	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Age=71; RAW_FILE_NAME=HT_16
SUBJECT_SAMPLE_FACTORS           	-	HT_17	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Age=69; RAW_FILE_NAME=HT_17
SUBJECT_SAMPLE_FACTORS           	-	HT_18_Bis	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=54; RAW_FILE_NAME=HT_18_Bis
SUBJECT_SAMPLE_FACTORS           	-	HT_19	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=31; RAW_FILE_NAME=HT_19
SUBJECT_SAMPLE_FACTORS           	-	HT_20	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=59; RAW_FILE_NAME=HT_20
SUBJECT_SAMPLE_FACTORS           	-	HT_21	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=69; RAW_FILE_NAME=HT_21
SUBJECT_SAMPLE_FACTORS           	-	HT_22	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Age=60; RAW_FILE_NAME=HT_22
SUBJECT_SAMPLE_FACTORS           	-	HT_23	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Age=42; RAW_FILE_NAME=HT_23
SUBJECT_SAMPLE_FACTORS           	-	HT_24	Label:Severe | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Age=47; RAW_FILE_NAME=HT_24
SUBJECT_SAMPLE_FACTORS           	-	HT_26	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Age=58; RAW_FILE_NAME=HT_26
SUBJECT_SAMPLE_FACTORS           	-	HT_3	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_3
SUBJECT_SAMPLE_FACTORS           	-	CNMI_0810	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=CNMI_810
SUBJECT_SAMPLE_FACTORS           	-	HT_1	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_1
SUBJECT_SAMPLE_FACTORS           	-	HT_5	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_5
SUBJECT_SAMPLE_FACTORS           	-	HT_2	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_2
SUBJECT_SAMPLE_FACTORS           	-	HT_4	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Age=NA; RAW_FILE_NAME=HT_4
#COLLECTION
CO:COLLECTION_SUMMARY            	Samples were collected at hospital admission or within the first days after
CO:COLLECTION_SUMMARY            	hospitalization (median = 2 days) and before treatment with immunotherapy
CO:COLLECTION_SUMMARY            	against IL-6 (e.g., tocilizumab), interferon beta, corticoids, or ribavirin,
CO:COLLECTION_SUMMARY            	among others. Plasma samples were obtained after centrifugation blood in EDTA
CO:COLLECTION_SUMMARY            	tubes and stored at -80 °C.
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Plasma samples were inactivated with cold (-20°C) MeOH : EtOH (1:1, v/v) and
TR:TREATMENT_SUMMARY             	vortex-mixed for 1 min, incubated on ice for 5 min, and centrifuged for 20 min
TR:TREATMENT_SUMMARY             	at 16000 xg at 4°C. The resulting supernatant was stored at -80°C until
TR:TREATMENT_SUMMARY             	analysis. Due to the broad differences in physical-chemical properties of
TR:TREATMENT_SUMMARY             	metabolites, we used GC-MS (focused on small molecules that can be made volatile
TR:TREATMENT_SUMMARY             	by derivatization) and CE-MS (focused on polar and ionic compounds) in order to
TR:TREATMENT_SUMMARY             	increase the metabolite coverage. Sample preparation for GC-MS and CE-MS was
TR:TREATMENT_SUMMARY             	detailed in the uploaded file in sample preparation part.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For GC-MS analysis samples, 200 µL of frozen plasma supernatant was thawed at
SP:SAMPLEPREP_SUMMARY            	room temperature and 30 µL of 80 mg/L deuterated palmitic acid in MeOH was
SP:SAMPLEPREP_SUMMARY            	added as internal standard (IS). After samples were evaporated to dryness a
SP:SAMPLEPREP_SUMMARY            	two-step derivatization process was done. For CE-MS analysis, 200 µL of frozen
SP:SAMPLEPREP_SUMMARY            	supernatant was thawed until room temperature and it was evaporated to dryness
SP:SAMPLEPREP_SUMMARY            	using a SpeedVac Concentrator System (Thermo Fisher Scientific, MA). Afterwards,
SP:SAMPLEPREP_SUMMARY            	100 µL of 0.2 mM methionine sulfone (MetS) as internal standard (IS) in 0.1 M
SP:SAMPLEPREP_SUMMARY            	formic acid solution was added. Samples were vortex mixed, filtered and
SP:SAMPLEPREP_SUMMARY            	subsequently centrifuged. More detailed information is included in the attached
SP:SAMPLEPREP_SUMMARY            	pdf.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The flow rate of helium carrier gas was constant at 1.1359 mL/min and the
CH:CHROMATOGRAPHY_SUMMARY        	injector temperature was set at 250 °C. The lock of the retention time (RTL)
CH:CHROMATOGRAPHY_SUMMARY        	relative to the internal standard (methyl stearate) peak at 19.66 min was
CH:CHROMATOGRAPHY_SUMMARY        	performed. The oven temperature gradient was initially set at 60 °C and was
CH:CHROMATOGRAPHY_SUMMARY        	maintained for 1 min. Then it was raised by 10 °C/min until it reached 325 °C,
CH:CHROMATOGRAPHY_SUMMARY        	and then was held at this temperature for 10 min before cooling down. The total
CH:CHROMATOGRAPHY_SUMMARY        	analysis run time was 37.5 min.
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	8890
CH:COLUMN_NAME                   	Agilent DB5-MS (30m x 0.25mm, 0.25um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 5977B
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The transfer line temperature was stablished at 280 °C and the electron
MS:MS_COMMENTS                   	ionization (EI) source was operated at 70 eV and the filament source temperature
MS:MS_COMMENTS                   	was set at 200 °C. Mass spectra were collected over a mass range of 50 - 600
MS:MS_COMMENTS                   	m/z at a scan rate of 2.7 scans/s. Data were acquired using the Agilent
MS:MS_COMMENTS                   	MassHunter Workstation GC/MS Data Acquisition (version 10.0).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Corrected areas
MS_METABOLITE_DATA_START
Samples	CNMI_37	HUPA_65	HT_14	CNMI_617	HUPA_78	CNMI_61	CNMI_3	CNMI_39	CS_11	CNMI_45	CNMI_32	HT_11	CNMI_46	CNMI_17	CNMI_4	CNMI_611	CNMI_1	CS_87	CNMI_96	CNMI_51	CNMI_28	CNMI_25	CNMI_58	CNMI_72	CNMI_55	CNMI_11	HUPA_85	CNMI_75	CNMI_12	CNMI_13	CNMI_38	HUPA_83	CNMI_18	CNMI_36	CNMI_90	CNMI_94	CNMI_21	HUPA_67	CNMI_29	CNMI_53	CNMI_63	CNMI_10	HUPA_97	CNMI_47	CNMI_26	CNMI_31	HT_19	CNMI_74	CNMI_86	CS_55	HT_13	CNMI_67	CNMI_62	CNMI_76	CNMI_93_Bis	HT_18_Bis	CNMI_20_Bis	CNMI_34_Bis	HUPA_77_Bis	CS_66	CNMI_54	CNMI_70	CNMI_91	HT_1	HT_16	CNMI_23	CS_15	CNMI_95	CNMI_78	CNMI_42	CNMI_44	CNMI_33	CNMI_97	CNMI_83	CS_77	CNMI_317	CNMI_43	CNMI_30	CS_79	CS_84	CNMI_2	HT_21	CNMI_87	CNMI_19	CNMI_7	CNMI_60	CNMI_49	CNMI_9	CNMI_82	CNMI_5	HT_12	CNMI_8	CNMI_56	CNMI_89	CNMI_73	CNMI_81	HUPA_76	CS_54	CNMI_50	HUPA_66	HT_5	CNMI_88	HUPA_81	HT_17	CNMI_24	CNMI_15	CNMI_22	CS_86	HUPA_93	CNMI_59	CNMI_69	CNMI_40	CS_41	CNMI_0810	CNMI_64	CNMI_71	HT_15	CS_78	HUPA_73	CNMI_68	CNMI_48	CNMI_85	CS_5	CNMI_52	HT_3	CNMI_79	CNMI_92	HT_2	CNMI_246	CNMI_35	CNMI_14	CNMI_27	CNMI_6	CNMI_16	CS_42	CS_48	HT_22	CNMI_41	HT_20	HT_23	HT_26	HT_24	CNMI_66	HT_4
Factors	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:0 | Obesity:2 | Dyspnoea:0	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:AM | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:AM | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:1	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:AM | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:0 | HTA:0 | Obesity:1 | Dyspnoea:1	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:AM | Gender:0 | HTA:1 | Obesity:2 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:AM | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:AM | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA	Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1	Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1	Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0	Label:Severe | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0	Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1	Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA
Boric acid	0.791435	0.1922246	0.472407	0.7528019	0.332238	1.3928676	1.0424127	2.1036491	1.061942	1.0839615	0.8559934	0.9076889	1.3235648	1.5174092	1.0820877	0.9077885	1.2470182	1.6566479	2.7002975	1.6473355	1.4425342	1.2193529	1.4840912	0.8514182	1.7559264	1.3056929	0.4898776	1.700353	1.0869947	1.3037448	0.9452529	0.4330968	1.2760783	1.5396809	1.5073558	0.722021	1.0779828	0.185623	1.0278947	1.1932546	1.1760753	0.8348862	0.4404591	1.3621549	1.2278222	1.1330209	0.663346	1.2486665	1.4034614	1.6490214	0.766706	0.8234407	0.6471842	0.88217	0.7550604	0.6577204	0.8415494	1.2884556	0.1962607	1.3743352	1.357059	0.5309744	1.4476527	0.878028	0.6735145	0.6456425	1.1553334	1.5872187	1.2016775	1.4752207	1.1840339	1.2982666	0.7871267	0.4845145	1.2508234	0.762029	1.4645642	1.5983064	1.4468882	0.9189811	0.9392123	0.4339813	1.0162473	1.378343	0.9593936	0.419177	1.103481	0.7532878	1.0382007	0.774457	0.8079481	0.7122876	1.2390744	1.6072452	0.8771233	1.8717172	0.3707048	1.1453781	1.0051214	0.1057956	0.3263861	0.9817891	0.1435674	0.4306559	0.8523628	0.8564951	1.5919306	0.7419388	0.9058207	1.1245033	1.2175147	1.0003538	0.9018476	1.282911	0.422719	1.4207492	1.1244166	1.2708001	0.2612349	1.0635058	0.9055492	0.7486626	0.8935189	0.8166276	1.2655794	1.0250996	1.5120084	0.8932454	1.8392663	0.8216698	1.2076851	1.2297806	0.6364045	1.1724261	1.3174136	0.9884004	0.792096	1.2064101	0.4963719	0.4264922	0.3286873	0.3438187	2.2023855	0.3003276
Formamide	0.1737511	0.2059319	0.1696041	0.1863586	0.2337772	0.2193503	0.1955131	0.2022003	0.1904469	0.2245016	0.2004921	0.1597295	0.1999761	0.1895328	0.1826978	0.197627	0.1832826	0.1977725	0.3614883	0.1686689	0.1838277	0.2032755	0.2350294	0.2095673	0.1812495	0.2076586	0.2407928	0.2101101	0.2125037	0.1823247	0.1966005	0.221695	0.1904761	0.1909145	0.1902454	0.1900404	0.2119141	0.1993582	0.2010737	0.1925197	0.1738137	0.2130818	0.2010492	0.1855146	0.1945721	0.1866947	0.1636993	0.193863	0.1915148	0.1986937	0.1991248	0.1889344	0.1935411	0.1788962	0.1953388	0.1757273	0.1709357	0.1927318	0.2194154	0.1831383	0.1962142	0.1407875	0.1904058	0.2178278	0.1833764	0.1881251	0.1728538	0.1942831	0.1978463	0.2031792	0.1954971	0.1818822	0.1690546	0.2075801	0.1724489	0.1744314	0.1759831	0.1810213	0.2168304	0.177162	0.1983033	0.1820619	0.2008924	1.5405015	0.2333131	0.1799834	0.215933	0.1890841	0.2127088	0.1929239	0.1792081	0.2195415	0.2061549	0.188238	0.2145808	0.1987102	0.1721379	0.1952187	0.2100841	0.2064073	0.172692	0.1928672	0.2298284	0.1738435	0.1962599	0.179324	0.180935	0.2100744	0.1949097	0.1841514	0.1790095	0.1775775	0.186704	0.1817018	0.1701775	0.1990877	0.1639216	0.2147468	0.2818912	0.176471	0.180719	0.1781921	0.1962776	0.156053	0.1844398	0.1810218	0.1776401	0.1657319	0.2178269	0.2038682	0.1955734	0.2475606	0.1845309	0.1857991	0.2130008	0.2319019	0.1889526	0.2075748	0.1690962	0.157994	0.1729567	0.1857835	0.1776194	0.1763551
Carbamic acid	0.0387511	0.0426811	0.0346937	0.0392315	0.0504948	0.0475588	0.0431804	0.0433483	0.0412841	0.0482698	0.0433082	0.0377135	0.0421537	0.0434846	0.0421339	0.0423856	0.0411261	0.0431085	0.0566263	0.0394105	0.0395579	0.0434126	0.0506999	0.0417695	0.0408683	0.0434865	0.0505129	0.045148	0.0462634	0.0404482	0.0439773	0.0466108	0.0425195	0.0424831	0.0426165	0.0407784	0.0464536	0.0417288	0.0424874	0.0422625	0.0390645	0.0447159	0.0424953	0.0415542	0.0413244	0.0405823	0.0360368	0.0413373	0.0406727	0.0405153	0.0400621	0.0398385	0.0407465	0.0371866	0.0402998	0.0380477	0.0363909	0.0410761	0.0447655	0.0397666	0.0414798	0.0326285	0.042214	0.0473828	0.0396642	0.0406247	0.037928	0.042079	0.0423397	0.0428478	0.0422018	0.0398284	0.0381974	0.0470768	0.0394828	0.0398807	0.040138	0.040645	0.046288	0.0363714	0.043559	0.0402951	0.0429223	0.2245658	0.0497907	0.0390727	0.0457873	0.0411592	0.0467803	0.0425806	0.0376866	0.0448654	0.0422307	0.0398869	0.0448473	0.0420386	0.0356456	0.0397624	0.0441347	0.0444109	0.0368543	0.0402436	0.0480346	0.037672	0.0421966	0.0396108	0.0407436	0.0445935	0.043218	0.0403259	0.0396792	0.0377658	0.0394076	0.0399947	0.0349858	0.0415401	0.0348807	0.0443821	0.055827	0.0371409	0.0394981	0.0400325	0.0418796	0.0353878	0.0416512	0.0407218	0.0408358	0.0376024	0.0454167	0.0434287	0.0426404	0.0517975	0.0381169	0.0379899	0.0426863	0.04905	0.0406396	0.0424042	0.032718	0.0337701	0.0361441	0.0385307	0.0362182	0.0363918
2-Aminobutanoic acid	0.103011	0.1048717	0.1104244	0.1278027	0.0675077	0.0833387	0.1364175	0.1037371	0.0782818	0.1214767	0.1799048	0.2382564	0.1023722	0.0890978	0.1149507	0.0956597	0.0757048	0.0629377	0.2883777	0.1474486	0.1046586	0.1113728	0.1505031	0.1948376	0.1265665	0.0951127	0.1337595	0.1676201	0.0979833	0.1497165	0.1790469	0.0642012	0.1316758	0.1216971	0.1330165	0.0738542	0.1064608	0.1098721	0.0680876	0.0973538	0.1295942	0.1341008	0.1426565	0.075538	0.1052144	0.26617	0.1592851	0.2249508	0.0564496	0.0667719	0.0645952	0.1899834	0.1089968	0.0457902	0.1690543	0.1552118	0.0968053	0.0826706	0.1214419	0.0510864	0.1188844	0.1628096	0.0534676	0.3261776	0.0835218	0.1413339	0.0591224	0.0894819	0.276513	0.1126148	0.0798463	0.1390213	0.0584835	0.1085118	0.0719115	0.1569655	0.1219924	0.1635272	0.0652682	0.049684	0.0887152	0.1616511	0.0797794	0.1617714	0.0405759	0.0752471	0.1229511	0.0414937	0.1259918	0.2053494	0.2452263	0.114136	0.1545071	0.1396375	0.1143913	0.1569974	0.0825216	0.0572018	0.1074645	0.0588906	0.0430234	0.0684052	0.0818488	0.2261985	0.2579577	0.054566	0.1042683	0.0090225	0.1202392	0.0708247	0.1668506	0.0960138	0.0532848	0.0799214	0.0400078	0.183503	0.1701952	0.0715921	0.0729518	0.1575609	0.0680175	0.0747483	0.0697683	0.0896454	0.0747281	0.0532165	0.220428	0.0302877	0.3231256	0.1066207	0.1138625	0.00875	0.0053605	0.1133566	0.0929342	0.0401265	0.2213786	0.0030135	0.0048454	0.1754857	0.0021916	0.0011029	0.0857448	0.1665857
Pyruvic Acid	0.2642384	0.2953782	0.556041	0.3069869	0.3310985	0.3318238	0.2552658	0.2452695	0.207488	0.239748	0.3476057	0.271566	0.3057243	0.338368	0.3456166	0.3851953	0.3073976	0.2007695	0.525177	0.3525797	0.2454175	0.2584167	0.2679976	0.3927661	0.3722433	0.3148124	0.263349	0.5396723	0.370289	0.4261472	0.3620285	0.3850723	0.3484847	0.33453	0.386436	0.3115282	0.3806398	0.2334503	0.2779721	0.4832807	0.2260225	0.5608469	0.249117	0.2709012	0.3085137	0.3431932	0.205325	0.368801	0.3942602	0.2060256	0.3425821	0.26387	0.306456	0.2324879	0.2692734	0.1794736	0.188739	0.3926772	0.2244068	0.1772897	0.3911795	0.3978627	0.292487	0.5561037	0.1772964	0.5435175	0.1924998	0.2534415	0.3697455	0.2225038	0.3184243	0.3313656	0.3723337	0.2971496	0.182587	0.4724297	0.425628	0.2562641	0.1670873	0.2040308	0.3256847	0.2996224	0.245856	0.3552246	0.1565619	0.2759334	0.311809	0.2130791	0.3244142	0.4998492	0.2753357	0.5044885	0.4862786	0.6226929	0.2780696	0.3731424	0.2596305	0.1611007	0.3329656	0.1677342	0.1158221	0.3248658	0.3495102	0.2403941	0.5001501	0.3570637	0.2862979	0.226093	0.2741613	0.3658546	0.3101446	0.3132804	0.1587928	0.4003714	0.3078532	0.2844272	0.139353	0.1843805	0.2274195	0.273647	0.1863837	0.6139461	0.1529888	0.2422295	0.1090254	0.3243604	0.3753826	0.272912	0.3983771	0.390072	0.5205401	0.3655016	0.237925	0.3192098	0.2269108	0.1690859	0.1845928	0.3923024	0.2818275	0.0791499	0.1477263	0.1545107	0.278999	0.4552163
2.3-Butanediol	0.9668707	1.0889451	0.9067544	0.8733571	0.9119084	0.9578039	0.9906153	1.1020819	0.8482977	0.9262526	0.9565458	0.8042041	0.9219569	0.9751967	0.9635689	0.9405749	1.0538394	0.6257303	1.1999016	1.0324154	1.0154111	0.8293001	0.9125055	0.9952108	0.9854045	0.9794066	0.7337905	1.1298891	0.9674391	1.0027094	0.9790069	1.0322439	1.025912	1.0774783	1.0879262	0.9880355	0.926587	0.9555791	0.9683594	1.0497408	0.9443146	1.0457067	0.8046844	0.8500546	0.8733749	1.1146745	0.5866119	0.983831	1.0969518	0.7517299	0.6994525	0.927787	1.0458836	0.8232195	0.9146348	0.7133995	0.8163656	1.0345702	0.8790265	0.5937113	1.1155154	0.8737579	1.0938124	1.1798422	0.7615678	1.1281894	0.6514211	1.0592329	1.092921	0.8813752	1.0724261	0.9816726	1.0245119	0.7880092	0.5841962	1.1419509	1.042738	1.0093818	0.6076376	0.632472	1.0971641	0.69639	1.0199799	0.9967523	0.8645608	0.9788387	1.0781893	0.8720954	0.9331509	1.0591867	0.7165905	0.9431426	1.0155739	1.1056659	0.9965591	1.0821302	0.7712138	0.5320824	0.9217223	0.797369	0.6980672	0.9339216	0.8562413	0.7471442	0.9287025	1.0693588	1.0101988	0.5556418	0.6277961	1.0790721	1.1430429	1.105547	0.5185467	1.0198926	1.1273358	1.0428326	0.6263552	0.5280471	0.7109209	0.9996804	0.82262	1.2053108	0.5025945	0.7310348	0.4345549	0.9494752	1.0310867	0.6740426	1.2393264	1.0657877	1.2294746	1.3988755	0.8159556	0.9230452	0.3919024	0.4367656	0.4256151	0.9201039	0.5806126	0.4419259	0.3334944	0.3089044	0.7394013	1.1167253
L-Lactic acid	4.4119692	5.1230896	4.0399407	3.8475914	4.0622258	4.3718219	4.5469843	5.2030985	3.7092607	4.1378414	4.3585996	3.4922869	4.1662654	4.4945415	4.409622	4.3077714	4.9579208	2.6271871	5.8991298	4.9007716	4.7451108	3.6388729	4.1099926	4.6052046	4.529722	4.5131651	3.1615722	5.431643	4.4148891	4.6575426	4.4842603	4.8193136	4.7930045	5.1500967	5.198597	4.5464239	4.153686	4.3782103	4.4341997	4.978856	4.3176248	4.9615975	3.5332904	3.747478	3.8745813	5.3076053	2.4295235	4.535521	5.26892	3.2184133	2.9679942	4.1917692	4.9095142	3.5961562	4.1877113	3.023311	3.5729436	4.8650004	3.8851212	2.441042	5.3120393	3.8957083	5.1430971	5.7601919	3.254402	5.4211316	2.7017802	4.9819307	5.184214	3.8754357	5.0632715	4.4874113	4.8139914	3.3494988	2.3752418	5.4127117	4.8743676	4.6508074	2.4726109	2.6003989	5.1058498	2.8674423	4.6841119	4.5037708	3.8152281	4.4498096	4.9969425	3.8323675	4.1400793	4.9680767	2.9935665	4.2636101	4.7355078	5.2379051	4.5051771	5.1417735	3.3062429	2.0757908	4.1469408	3.3452604	2.8128059	4.1597587	3.6745759	3.0749428	4.1191753	4.9809156	4.5495659	2.1304294	2.4700874	5.0312889	5.3655604	5.1120864	1.9692064	4.5911372	5.2915644	4.7534473	2.5377497	2.0539946	2.9541484	4.6537066	3.6108634	5.8635486	1.9873127	3.1174425	1.753771	4.2545103	4.8332412	2.8764925	6.1565391	4.9151088	6.0547799	7.0375215	3.7085923	4.3820414	1.6249694	1.8798596	1.8203081	4.5408931	2.5291464	1.8825218	1.405964	1.2992835	3.5732084	5.7105705
"2,3-dihydroxy-butane"	0.0158766	0.0141026	0.0144781	0.0166083	0.0207312	0.0151809	0.0176469	0.0201281	0.0154406	0.0173624	0.0175678	0.0283929	0.0161256	0.0185409	0.0212927	0.0187916	0.018434	0.0179775	0.0133312	0.0173131	0.0179395	0.0202666	0.0183142	0.0203309	0.0163902	0.019084	0.0163892	0.0182462	0.0189773	0.0160266	0.0176009	0.0198132	0.0181996	0.0207531	0.0204096	0.0180978	0.0231619	0.0203163	0.0202682	0.0208334	0.0208306	0.0213434	0.0185734	0.0202348	0.021124	0.0187558	0.0203819	0.0207838	0.0185866	0.0186735	0.0216885	0.0181992	0.0193553	0.0197524	0.0203392	0.0178502	0.0244454	0.0187058	0.018305	0.0169209	0.0184618	0.0221591	0.0180683	0.0173162	0.0193067	0.0179299	0.0217217	0.0222229	0.0217005	0.0222094	0.0212084	0.0230027	0.0214873	0.0178201	0.0210586	0.020732	0.0215359	0.0212081	0.022782	0.0211895	0.0240196	0.0251792	0.0246969	0.0244882	0.0250723	0.0238385	0.0201508	0.0205865	0.0198464	0.0170489	0.0163556	0.013823	0.0151165	0.0146884	0.015043	0.0157672	0.0150325	0.01863	0.0184485	0.0197861	0.0334193	0.020421	0.0212971	0.0187397	0.0182065	0.0197296	0.0186272	0.0190641	0.0167043	0.0182162	0.0175753	0.0148688	0.0176865	0.0157079	0.0152457	0.0137464	0.0097909	0.0179166	0.0221185	0.0138861	0.0125336	0.0123614	0.0264018	0.0129837	0.0220159	0.0135969	0.0149135	0.0118685	0.0164417	0.0147357	0.0184859	0.0201505	0.0120059	0.0155075	0.0165839	0.016153	0.0270043	0.0121357	0.0065402	0.0100347	0.0178395	0.0124552	0.0155097	0.0141273
Glycolic acid	0.0184577	0.0149786	0.017368	0.0178235	0.0194693	0.0181466	0.0244433	0.0250778	0.0134159	0.0230453	0.0208434	0.0252696	0.0180751	0.0241069	0.015672	0.0264285	0.0243257	0.0148675	0.0233285	0.0219152	0.0232747	0.0153231	0.0314855	0.0214624	0.017936	0.0251081	0.0170313	0.0206316	0.0214972	0.0199668	0.0230446	0.0240958	0.020801	0.0186209	0.0273677	0.0162468	0.0211347	0.0161577	0.0234954	0.0203645	0.017087	0.0207309	0.0170666	0.0188406	0.0202756	0.0271877	0.0149547	0.0200493	0.0208865	0.0151785	0.0140338	0.0206645	0.0201561	0.0201892	0.0163055	0.013334	0.0151605	0.0178853	0.0234826	0.0157396	0.0223869	0.0176102	0.018029	0.018423	0.0137855	0.0195469	0.0123235	0.0188791	0.0179133	0.0215295	0.0192283	0.0229597	0.017799	0.0129827	0.0191316	0.0193649	0.0189039	0.021783	0.0112705	0.011999	0.0189953	0.0163406	0.0227964	0.0200942	0.0196738	0.01755	0.020772	0.0188488	0.0261606	0.0222798	0.0172052	0.0282172	0.0257762	0.0195168	0.0232099	0.0195412	0.0168905	0.0124427	0.0133013	0.0182538	0.0239107	0.0209036	0.0215075	0.0143106	0.0191558	0.0274965	0.0222074	0.0133668	0.0161948	0.0214295	0.0240568	0.0218369	0.0138661	0.0161285	0.0248057	0.0196382	0.0115468	0.0120888	0.020553	0.0211019	0.0166849	0.0191027	0.0114666	0.0181255	0.0164539	0.0189746	0.022121	0.0143786	0.032949	0.0179745	0.0191401	0.0227627	0.0170957	0.0181246	0.0151765	0.0161967	0.0187347	0.0147288	0.0122488	0.0129008	0.0126777	0.0131744	0.0192965	0.0161863
Butylbenzene	0.0087445	0.0104832	0.0088198	0.0087303	0.0096709	0.0090187	0.0091683	0.0109889	0.0181735	0.0117996	0.0115786	0.0103447	0.0111537	0.0101907	0.0108999	0.0123428	0.0124928	0.020862	0.029963	0.0104168	0.0115907	0.0113842	0.0105974	0.0123073	0.0111143	0.009393	0.0108647	0.0124119	0.0128347	0.0110782	0.0114365	0.0121107	0.0106458	0.0131749	0.0105003	0.0103294	0.0117862	0.0118183	0.0120572	0.0113163	0.0101918	0.0120743	0.01056	0.0112829	0.0112487	0.0067514	0.0072209	0.010484	0.0104805	0.0147939	0.0095561	0.0081588	0.0088573	0.0089953	0.0077558	0.0088672	0.0089623	0.0093561	0.0069457	0.0090634	0.0086177	0.006389	0.0091454	0.0085705	0.0078869	0.0076136	0.0084614	0.0084486	0.0088512	0.0100745	0.0074281	0.0094961	0.008175	0.0087327	0.0089408	0.009376	0.0118087	0.0113794	0.0191577	0.0135495	0.0111182	0.0095548	0.0107657	0.021407	0.0094131	0.0107338	0.0093061	0.0097405	0.0102362	0.010747	0.0075934	0.0106694	0.0117715	0.0101729	0.0126997	0.0098084	0.0092024	0.0159828	0.0097987	0.0113459	0.0120248	0.0095	0.0131838	0.0103396	0.0127518	0.0116188	0.013232	0.0222648	0.0122636	0.0136403	0.0119501	0.0094916	0.0172002	0.0107412	0.0118751	0.0132309	0.0086719	0.0198811	0.0111157	0.0102728	0.0102198	0.0102935	0.0197073	0.0095797	0.0158038	0.0120802	0.0118473	0.0122262	0.0145848	0.0135667	0.0140826	0.0208381	0.0123467	0.0121792	0.0273533	0.0277532	0.0134525	0.016552	0.0126585	0.0142759	0.0138095	0.013862	0.0103433	0.0109692
Valeramide	0.0720201	0.0794826	0.0739763	0.0766053	0.0757751	0.0759698	0.0749904	0.0815961	0.1099668	0.0850772	0.0848444	0.0797176	0.0841965	0.0797626	0.0839228	0.0857405	0.0854671	0.1200701	0.1577944	0.0750344	0.0774395	0.0806399	0.0710472	0.0764182	0.0747755	0.0644465	0.0688617	0.0735236	0.0763079	0.0668873	0.0679155	0.0708795	0.0709328	0.0748028	0.0685859	0.0701329	0.0811272	0.0777117	0.0777244	0.0782172	0.0756253	0.0822553	0.0794268	0.0847259	0.0789624	0.0652513	0.06878	0.0830404	0.0818902	0.1064598	0.0840268	0.0765537	0.0795191	0.0817314	0.0788289	0.0856697	0.0831999	0.0895867	0.0778315	0.0914151	0.0864137	0.0779545	0.0872443	0.0829246	0.0818699	0.0802653	0.0878044	0.0807019	0.0790132	0.0818624	0.0686111	0.0768378	0.0719606	0.0759799	0.0739247	0.0712639	0.0861025	0.0813096	0.1187173	0.0940666	0.0833485	0.0793525	0.0812506	0.1303159	0.0800743	0.0869835	0.080978	0.0809686	0.0830652	0.0827212	0.0746049	0.0796147	0.080879	0.078149	0.0870229	0.0735516	0.0724775	0.1048882	0.0750982	0.0799384	0.075665	0.0670433	0.0834697	0.0760769	0.0782543	0.0750159	0.0789841	0.1218116	0.0765595	0.0849651	0.0770048	0.0681999	0.1061558	0.0752887	0.0789881	0.0887142	0.0695508	0.1254375	0.0840213	0.0768051	0.0802552	0.0753012	0.1156516	0.0709825	0.0934923	0.0768132	0.0727684	0.0716902	0.0774458	0.0722526	0.077378	0.0986244	0.0625835	0.0598458	0.1281747	0.1301207	0.0623028	0.0746539	0.0549796	0.0623489	0.0672038	0.0693295	0.0537066	0.0493186
L-Valine	1.3353149	1.8889197	1.0293173	1.5984412	1.5771985	1.9224387	1.5233851	1.5448049	1.0190672	1.518797	1.5145207	1.4586678	1.244507	1.4328959	1.6897676	1.3161071	1.2931276	0.9821538	3.1100861	1.7332481	1.392775	1.1516584	1.2947321	1.814124	1.5807567	1.1438274	1.3747494	1.6527398	1.6672458	1.3093982	2.0418002	1.2264257	1.5379978	1.6279956	1.8349512	1.2358426	1.7329525	1.9696537	1.1024582	1.2964995	1.2911572	1.469945	1.6321932	1.4418626	1.218483	1.9291294	1.6709788	1.6146513	1.2781723	1.2632484	1.0579614	1.4358685	1.4131577	0.6058437	1.4246815	1.9954856	1.0452663	1.6900158	1.3343321	0.7764398	1.3970959	1.1251667	1.2701825	2.1185555	0.9882064	1.5077612	0.7450342	1.5665435	2.0242249	1.3292414	0.8210543	1.7981702	1.0832829	0.8119772	0.8750596	1.4376243	1.1961578	1.6655431	1.0546612	0.7988413	1.1386433	1.611092	1.6251453	1.4284126	1.0751249	1.1779685	1.1476195	0.7730496	1.2580645	1.7568065	1.5748357	1.0787519	1.6079197	1.9630004	1.3993374	1.4043169	1.3680857	0.9260372	1.6284817	1.0450971	0.7148081	0.8962834	1.9635664	1.9186061	1.7776999	1.1871896	1.3779183	0.6972924	1.4110451	1.0649178	1.4315746	1.5304065	1.1341213	0.490503	1.0941692	2.5257405	1.2013107	1.3625696	1.1744541	1.2403551	1.1142146	0.8905478	1.1058865	1.2320967	0.964592	1.164683	2.0674532	1.095919	2.0289063	1.5583496	1.2586874	1.9562579	1.4905288	1.3158808	1.6781234	1.3731104	2.2758513	0.9010719	0.9008531	2.0284146	1.0235764	0.9516321	1.1809794	1.6368374
L-Alanine	1.7407742	2.0266263	1.9242289	1.874721	2.7643087	2.0799286	1.8559514	2.2891615	2.0757217	1.8405103	1.8976876	2.2642162	2.0851833	2.0507803	1.9792737	1.8621821	1.9029762	2.0593189	2.534127	1.6051768	2.0467212	1.9943837	2.1489372	2.0133048	1.8194323	1.8955518	1.8363299	1.8828792	1.8809301	1.9496922	1.7265713	1.9273011	1.8779934	1.9803499	2.0033505	1.8885562	1.9777582	1.9199063	1.9419411	1.7721087	1.875918	1.9955166	1.8746901	1.9994553	2.1459955	1.4486508	1.5790523	1.8185367	1.6106663	1.7782603	1.9049678	1.7438697	1.4215462	1.6849119	1.7598312	1.9489202	2.0242599	1.9622556	2.3413953	2.167872	1.9595959	2.7265621	1.8667904	4.1310344	2.0964468	2.0125926	2.2955055	2.346346	2.2342084	2.4488759	2.3432532	2.2468537	1.9999129	2.0945991	2.2995676	1.9374408	2.4430766	2.5238988	2.2498277	2.1957836	1.8188475	2.2195514	2.3336033	1.9866531	2.0092786	1.4677695	2.0290341	1.7263882	2.1902289	1.7505116	1.6159682	1.8750351	2.1246255	2.068251	1.6035141	1.8462862	1.858117	2.0804174	2.2820739	1.9291047	1.7565539	1.9536811	2.2753315	2.2394163	1.8180734	1.3909515	1.9588652	1.5057205	1.8459328	1.7730382	2.0949445	2.1404515	2.0573511	1.8627873	1.9287065	2.4942431	1.9139679	2.0754653	1.8941899	2.0347021	1.762396	1.9929345	2.1921857	1.9182223	1.532429	1.9820244	2.1308492	1.5567119	1.9509211	2.0959944	1.70297	1.1647829	1.5112684	1.6929678	2.3033248	1.9017737	2.7758491	1.6750124	2.0604274	2.0052115	1.73226	2.0418799	1.9133954	2.8928189
2-Ketoisovaleric acid	0.1874976	0.1888182	0.1879669	0.1881112	0.1893054	0.1875001	0.1911747	0.1986807	0.2866341	0.2061052	0.2169157	0.1991668	0.1997582	0.1976451	0.2140382	0.2224544	0.2181368	0.3140509	0.4266251	0.1862219	0.1993931	0.196309	0.1802366	0.1944578	0.184101	0.1613842	0.1740386	0.1881843	0.1940896	0.1740292	0.1720781	0.1871119	0.1736153	0.1941923	0.1735205	0.1726327	0.1917403	0.1897846	0.1903483	0.1957701	0.1828346	0.2107343	0.1983721	0.2061508	0.1986174	0.1674853	0.1795619	0.2134394	0.2106995	0.2633912	0.2031119	0.1911766	0.2030584	0.1986959	0.2046893	0.2154303	0.2091191	0.2288216	0.2027834	0.2214126	0.218093	0.2007195	0.214812	0.2135623	0.199124	0.2183514	0.2133997	0.202541	0.2046677	0.2078815	0.1716376	0.19993	0.1764994	0.1754931	0.1833268	0.179917	0.2060684	0.1940908	0.2976598	0.2253487	0.2066451	0.1931307	0.2110239	0.2715264	0.19283	0.2239981	0.2045122	0.2025703	0.2080767	0.2224123	0.1955344	0.2155575	0.2165036	0.2009001	0.2172457	0.1830455	0.1815287	0.2502209	0.1982924	0.1923053	0.1864597	0.1683848	0.2156884	0.1746575	0.2067275	0.2240208	0.1973002	0.2958584	0.1817636	0.2003905	0.2001331	0.164708	0.2578646	0.1707559	0.2016213	0.2249097	0.1671369	0.3011227	0.1887673	0.1942699	0.1888636	0.1817702	0.2805374	0.1772032	0.2213671	0.1941645	0.186473	0.1776965	0.2041236	0.1849662	0.1915293	0.2522117	0.1730009	0.1609566	0.3236855	0.3248207	0.1415368	0.1872569	0.1274236	0.1537146	0.1604959	0.1411898	0.1415532	0.1222604
"1,2 - dihydroxy-cyclohexene"	1.3093747	1.5350512	1.4331772	1.4386201	1.9745077	1.517162	1.3971984	1.7211188	1.7016829	1.4482971	1.4323371	1.7654597	1.6181776	1.5413742	1.4836375	1.3043982	1.3455458	1.7176409	1.3391988	1.1054911	1.5837811	1.5693779	1.6185551	1.6286375	1.4927287	1.4304472	1.3807878	1.308142	1.4316128	1.4040113	1.2710975	1.4307862	1.398877	1.3559606	1.4587057	1.4436479	1.4359601	1.3956821	1.5193084	1.3524921	1.3815302	1.4697893	1.3190217	1.6030527	1.600943	1.0514454	1.2909087	1.4175217	1.3270144	1.5223882	1.4564523	1.3274538	0.9566103	1.1408978	1.3593195	1.4758405	1.6309053	1.2258741	1.6044201	1.9244949	1.595165	1.9872817	1.5348024	1.9906173	1.6096447	1.5570612	2.012613	2.0705549	1.7239949	2.0583938	2.032031	1.938654	1.4525571	1.8768343	2.0799999	1.2759618	1.8111058	2.0095242	2.0255719	1.8993517	1.5039266	1.658351	1.7425548	1.6405022	1.7550713	1.2298318	1.7421975	1.3982125	1.3997339	1.2688658	1.2144327	1.4155978	1.1272742	1.4261122	1.1962736	1.4421167	1.126331	1.595707	1.6498615	1.598461	1.4804302	1.393221	1.4677041	1.3082125	1.3717081	0.8676672	1.56321	1.1990087	1.4134325	1.4929968	1.3944642	1.651224	1.7476002	1.244015	1.2519768	1.9331639	1.7588957	1.7979999	1.4770265	1.7002156	1.4095885	1.4889844	2.0055094	1.6381608	1.3081702	1.7869817	1.546488	1.2386349	1.2550197	1.7737453	1.3138465	0.8552787	1.2012933	1.1715406	1.9326444	1.5295373	1.9291705	1.3471054	1.745569	1.6963028	1.4254468	1.7306759	1.497409	1.1000713
2-Hydroxybutyric acid	0.639067	0.5748557	1.1364081	0.6395766	0.4664147	0.4466131	1.1104809	0.5890966	0.4923258	0.7162709	1.1866865	1.4760936	0.4800256	0.4931946	0.8321154	0.7199057	0.6109701	0.4008449	1.8467958	0.9002609	0.7313913	0.8807613	0.643695	1.2991017	0.7905579	0.9146467	0.7721224	0.7301424	0.7719732	0.9134182	0.7404936	0.5225961	0.8468138	0.5565878	0.4846289	0.504301	0.471669	0.4535501	0.3805662	0.6182116	0.7230872	1.2923902	0.9976642	0.5337497	0.6470879	1.0881435	1.0387426	1.3887937	0.7565975	0.3847352	0.5036807	1.2427936	0.5592897	0.3689171	1.4895336	0.8712671	0.579328	0.4591261	0.5428338	0.3186524	1.2244515	1.3867766	0.3554964	2.4532536	0.7025186	1.7518812	0.3363355	0.6863517	1.6583477	0.898892	0.732858	1.0555305	0.5261725	0.623749	0.4126914	0.8639907	0.5331482	0.6264085	0.4289724	0.3194119	0.7638143	1.1158925	0.6213556	0.890583	0.3314115	1.0299615	0.7997775	0.4552226	1.2229411	2.5616334	1.5717521	1.4080819	0.7095728	0.5470945	0.709328	1.1984899	0.9101026	0.3222086	0.8387399	0.7566924	0.6590892	0.7378935	0.4994505	0.7303548	1.419633	1.9823684	1.0746311	0.4027735	0.7767327	0.850494	2.1301418	0.8432914	0.3080687	0.3787731	0.3204164	0.8004731	1.3759287	0.2532024	0.292387	0.9824013	0.4798194	1.2443012	0.2765873	0.9243774	0.4715728	0.9482563	0.7603219	0.4337112	2.1341078	0.9022168	0.8734761	0.7426786	0.8376775	0.8469549	0.3105876	0.1939941	0.9532844	0.5837293	0.4971396	1.0441408	0.5751421	1.2989634	1.4743421	1.0573233
m-Cresol	0.0095831	0.0203252	0.0136358	0.0251406	0.0353736	0.0429164	0.0137853	0.0334663	0.0202675	0.0146539	0.019179	0.0106748	0.0096081	0.0125504	0.0107929	0.0182118	0.0113298	0.0124373	0.0092243	0.0087745	0.0087709	0.013166	0.0798816	0.0174314	0.0142967	0.0587923	0.0149238	0.0100939	0.0190743	0.0126513	0.0129915	0.0127385	0.0092266	0.0080682	0.0069218	0.0118741	0.0104338	0.0260799	0.0132693	0.01002	0.0124642	0.0346156	0.0179355	0.0191688	0.0139235	0.0163344	0.0135573	0.0096723	0.0115915	0.0180403	0.015397	0.009496	0.020653	0.0228314	0.0148287	0.0134693	0.0123263	0.0118734	0.0172864	0.0155788	0.011354	0.0136798	0.0275969	0.015963	0.0248417	0.0114131	0.0151661	0.0126462	0.0095147	0.0084618	0.0237009	0.0150418	0.0111917	0.0321378	0.0175801	0.0267117	0.0123698	0.0120677	0.017244	0.0189788	0.014373	0.0129495	0.0100847	0.0171948	0.1020611	0.0192552	0.0145192	0.0251552	0.0137023	0.0112535	0.0094085	0.0194261	0.0124013	0.009553	0.0086319	0.0207025	0.0135929	0.0130383	0.0096083	0.0232659	0.0109978	0.017419	0.021708	0.010503	0.0076526	0.0119872	0.013834	0.0214812	0.0179842	0.0108045	0.011939	0.011792	0.0138618	0.0189633	0.0162391	0.0079972	0.0131898	0.0272493	0.0175709	0.0105172	0.0164734	0.0119916	0.0122331	0.0147442	0.0121473	0.0078163	0.02379	0.0121644	0.0122071	0.0291134	0.0191378	0.0104968	0.0123842	0.0085924	0.0181446	0.016267	0.0073662	0.0136099	0.01816	0.0164779	0.0127708	0.0075584	0.0158713	0.0085643
(R)-3-Hydroxybutyric acid	0.1923168	0.1608202	0.1490944	0.2003761	0.1459902	0.1416813	0.3243261	0.1190444	0.1241842	0.209345	0.3789564	0.1615135	0.1373145	0.1043922	0.2123463	0.1895393	0.1226475	0.1165706	2.0374557	0.2188589	0.1603432	0.2462279	0.1557428	0.6673063	0.4434324	0.5508415	0.3201801	0.1289919	0.2844142	0.1481285	0.190519	0.1896805	0.1855963	0.1377812	0.1171443	0.1290566	0.1298265	0.1405304	0.1225146	0.2427967	0.2542272	0.9491799	0.5808791	0.1651113	0.2984854	0.7302757	0.2492299	0.2873233	0.2860344	0.1327031	0.1657534	0.249195	0.1498658	0.137254	0.5189441	0.1427496	0.1393096	0.1189184	0.1489752	0.0950087	0.3537443	0.2357957	0.1401013	0.5710954	0.1487497	0.2847293	0.1023746	0.1981105	0.1785664	0.1883469	0.7303582	0.3461766	0.1342105	0.1531935	0.1301155	0.1337273	0.1004995	0.1253353	0.1561677	0.0938998	0.1348462	0.1407787	0.1291384	0.2332651	0.1061717	0.5592948	0.2158501	0.1648946	0.2149051	0.2222808	0.4703438	0.6717911	0.1110367	0.1282936	0.126936	1.0415711	0.2719517	0.0828867	0.2088016	0.2281255	0.4137213	0.4117007	0.1318486	0.1664061	0.3133226	0.8335801	0.2350295	0.1014921	0.2298996	0.5361873	0.3014093	0.1374492	0.0932107	0.1321966	0.0773163	0.111412	0.9123799	0.0759446	0.1394454	0.2693201	0.1719658	0.1287323	0.1083894	0.7147246	0.0993463	0.2166836	0.132209	0.1073875	0.5763392	0.1247951	1.2716114	0.1537485	0.5364652	0.277676	0.0845884	0.0672527	0.1268604	0.1026506	0.0723987	0.3438682	0.0693332	0.1716016	0.5934033	0.1860555
2-Hydroxyisovaleric acid (OR) 2-hydroxyisocaproic acid	0.0780388	0.0862269	0.1773617	0.2312835	0.0802046	0.0869721	0.1717743	0.1175267	0.0697838	0.1200624	0.0794031	0.2540058	0.0727093	0.0921424	0.1183326	0.0941567	0.09694	0.0501304	0.2159425	0.131217	0.0864149	0.0739373	0.1568816	0.1897776	0.1039511	0.1114648	0.0800334	0.1107356	0.0919647	0.4255398	0.1068698	0.0697956	0.0854843	0.103747	0.1102633	0.1466538	0.1106717	0.1029857	0.1055402	0.1040465	0.0944422	0.2086398	0.2682596	0.1162859	0.0894355	0.2552657	0.3381689	0.2791654	0.1186209	0.0671535	0.1128612	0.1867568	0.1100448	0.0973605	0.2045807	0.1222092	0.0712645	0.1008029	0.076012	0.0485706	0.2379031	0.1894782	0.0986421	0.1834663	0.1182864	0.3737211	0.0806588	0.0974469	0.6915693	0.1016861	0.0588838	0.2184782	0.1633086	0.0870269	0.0874312	0.1502364	0.0807545	0.1040779	0.0518824	0.0793705	0.1407652	0.0816594	0.1676176	0.1660411	0.1298146	0.1526742	0.25756	0.0566119	0.1772554	0.3906169	0.1257877	0.1572401	0.0809412	0.0951282	0.1664422	0.1748747	0.0769327	0.0544816	0.1202913	0.068182	0.0962697	0.0764102	0.1592463	0.2917995	0.1460108	0.2818168	0.1344286	0.0711823	0.0981486	0.1235637	0.2327765	0.1395961	0.1038161	0.0857205	0.0813354	0.2317085	0.1035574	0.0488043	0.0524687	0.1065709	0.0457897	0.29091	0.0538985	0.0868583	0.030319	0.1155512	0.3136775	0.0626617	0.5540064	0.2882575	0.1134941	0.24196	0.1101011	0.1048752	0.0640733	0.0902834	0.3853956	0.1170126	0.1619733	0.1435764	0.0763442	0.0891667	0.2118213	0.0861086
2-ketoisocaproic acid	0.0260734	0.0248549	0.0439597	0.0293361	0.0375429	0.0200838	0.0382151	0.036307	0.0292903	0.0366807	0.0620541	0.0457481	0.0236967	0.0204067	0.0617683	0.0336724	0.0251917	0.0197	0.0667118	0.0457263	0.0266499	0.0301393	0.0176093	0.0457439	0.0307227	0.0209261	0.0509036	0.0296151	0.03603	0.0615043	0.03925	0.0412217	0.036554	0.026482	0.0376046	0.0294658	0.0396436	0.0634859	0.0299319	0.0310451	0.0299768	0.0734383	0.0509251	0.0300912	0.0341817	0.035127	0.047267	0.0436131	0.0241943	0.0302218	0.0194273	0.0270274	0.0229569	0.0155315	0.0456487	0.0358874	0.021831	0.0400673	0.0327527	0.0199786	0.033078	0.0495867	0.0194238	0.0555544	0.0192859	0.0509266	0.0258515	0.0348522	0.0457827	0.0380699	0.011569	0.0517491	0.0279274	0.021214	0.0306278	0.0215969	0.029479	0.0317625	0.0255964	0.0219714	0.0282234	0.0287116	0.0379196	0.0362073	0.0176635	0.0395538	0.0269582	0.0230655	0.0334388	0.0542658	0.0589613	0.0450255	0.0424081	0.0365895	0.0396001	0.018912	0.0305682	0.0307021	0.0632597	0.0263075	0.0158513	0.0286899	0.0524245	0.0287246	0.0523044	0.1016465	0.0395877	0.0249559	0.0321496	0.0179622	0.0451707	0.0293677	0.033394	0.0103497	0.056519	0.0486241	0.0327235	0.0277561	0.0191462	0.0299462	0.0285087	0.0200561	0.0216415	0.0488089	0.0204935	0.0397648	0.0354641	0.024406	0.0268472	0.0314182	0.0389542	0.0320863	0.0351813	0.0681676	0.045201	0.0311511	0.0356236	0.0398106	0.0216777	0.0503895	0.0352253	0.0216211	0.0574234	0.0257888
Glyceraldehyde	0.0062958	0.0076879	0.0065892	0.0061285	0.0065515	0.0058885	0.0063776	0.0078418	0.0056728	0.006788	0.0091951	0.0072804	0.0048949	0.0051833	0.0089217	0.0064046	0.0051663	0.0040395	0.0090245	0.0070943	0.0051756	0.0051162	0.0045737	0.0085361	0.0052089	0.0046283	0.007585	0.0070193	0.0061069	0.0089264	0.0066862	0.0071611	0.0058719	0.0066087	0.0078369	0.0051638	0.0074253	0.0119222	0.0064088	0.0073369	0.0067983	0.0126836	0.0108071	0.0063077	0.0059752	0.0081853	0.0079477	0.0078517	0.0048983	0.0058765	0.0034904	0.0054249	0.0057713	0.0036103	0.0072941	0.0069731	0.0047319	0.0080017	0.0072573	0.0045803	0.0065842	0.0081287	0.0053396	0.0122667	0.0039751	0.0085407	0.005244	0.0070463	0.0082884	0.0069702	0.0035556	0.0077545	0.0050998	0.0057087	0.0054058	0.0057263	0.0063818	0.0064375	0.0048743	0.0042385	0.0059453	0.0054298	0.0072988	0.0073348	0.0038143	0.0058626	0.0054363	0.0042232	0.0053953	0.0097331	0.0076188	0.0074117	0.0070056	0.0082295	0.0066466	0.0049323	0.005998	0.0048664	0.0099289	0.0056011	0.0036098	0.0060273	0.0086509	0.005552	0.0089579	0.0139821	0.0071237	0.0050917	0.0072722	0.0037974	0.0082099	0.0062806	0.0065084	0.0031309	0.0095677	0.0094035	0.0069999	0.0054597	0.0052537	0.0060805	0.0061013	0.0043681	0.0037991	0.007403	0.0041142	0.0068159	0.0058352	0.0053657	0.0069258	0.013938	0.010276	0.0074316	0.0049499	0.0103913	0.0082953	0.004442	0.0046037	0.0068541	0.0034034	0.0076848	0.0037229	0.0042841	0.0097406	0.0056693
Benzoic Acid	0.0308847	0.0314775	0.0285427	0.0321419	0.0375477	0.0250906	0.0255479	0.0266811	0.0236793	0.0279611	0.0291414	0.0504461	0.0248211	0.0255097	0.0311151	0.0244939	0.0259128	0.0253874	0.0187633	0.0229119	0.0225018	0.0251593	0.0233028	0.0446218	0.0225803	0.0279231	0.0243108	0.0257496	0.0272627	0.0279902	0.0240845	0.0313323	0.0275238	0.029692	0.030809	0.0311818	0.0350287	0.0352179	0.0337647	0.0305337	0.0333018	0.0311024	0.0298471	0.0383974	0.0336277	0.028058	0.0403695	0.0301644	0.0277709	0.0285722	0.0380968	0.0250948	0.0296861	0.0342739	0.0292907	0.0277957	0.0340182	0.0263188	0.0258303	0.0231255	0.0251984	0.0411212	0.0290199	0.0320824	0.0374674	0.0272647	0.0281044	0.0321337	0.0313902	0.0323717	0.0329209	0.0367656	0.0281807	0.0306526	0.0281822	0.0344997	0.0273922	0.0264787	0.02995	0.0249093	0.0318359	0.0309835	0.0291418	0.0335734	0.0337359	0.0344077	0.0292387	0.030278	0.0302773	0.0260134	0.0277899	0.0222415	0.0276524	0.0226278	0.0210605	0.026879	0.0262904	0.027501	0.0305926	0.0264522	0.0506838	0.0340388	0.0373933	0.033812	0.0299058	0.0341642	0.0283147	0.0332648	0.0355948	0.0327352	0.0296477	0.0271299	0.0349275	0.0303802	0.0326394	0.0300892	0.0260559	0.0393937	0.0259559	0.0309376	0.0268576	0.0275734	0.0434182	0.0284813	0.0307231	0.0259671	0.035088	0.0204564	0.0337956	0.0265177	0.0424332	0.0199572	0.0172322	0.0310496	0.021615	0.0252308	0.0573566	0.0169413	0.0155815	0.0233974	0.0340018	0.0169398	0.0280391	0.0363289
Octanoic acid	0.0315134	0.0464332	0.0253433	0.0240911	0.037169	0.0186542	0.0201153	0.0217212	0.0162929	0.0184323	0.0199989	0.0496225	0.0188883	0.0190465	0.0201407	0.0208959	0.019706	0.0211693	0.0144349	0.0212261	0.0212722	0.0243345	0.0218224	0.0279988	0.0218983	0.0286151	0.0218585	0.0222969	0.0225972	0.0240451	0.0205381	0.0265686	0.0227612	0.0246884	0.0272223	0.027464	0.030307	0.0305452	0.0305258	0.0291563	0.0273004	0.0294874	0.0248067	0.0314841	0.029849	0.0227474	0.029846	0.023372	0.0194481	0.0219824	0.0908705	0.0178942	0.0307457	0.0246699	0.0258485	0.0250821	0.0350965	0.0190981	0.0199573	0.019859	0.019984	0.0327995	0.0235523	0.0241816	0.4977149	0.0226506	0.0263369	0.0294812	0.0271093	0.0285298	0.0260754	0.0277428	0.0251213	0.0256781	0.0253368	0.0296668	0.025878	0.0256887	0.034179	0.0261748	0.0297923	0.081003	0.0304182	0.0310043	0.0366267	0.0310944	0.0257192	0.030759	0.0249087	0.0227157	0.0262196	0.0144872	0.0184266	0.0162108	0.0164077	0.0207664	0.0195974	0.0271655	0.0231321	0.0254045	0.0615231	0.0277184	0.0386972	0.0448883	0.0249821	0.1708996	0.0243257	0.0255469	0.0256292	0.0239221	0.023012	0.0193328	0.0275673	0.0307825	0.0281654	0.0202461	0.0214431	0.0363566	0.081798	0.0206596	0.0207107	0.0202733	0.0451103	0.0210694	0.0402237	0.0181171	0.02153	0.0218503	0.0218858	0.0159962	0.0258006	0.014525	0.0122419	0.0217947	0.0179496	0.0185274	0.05003	0.0128162	0.0136713	0.0217707	0.0330014	0.0204817	0.029886	0.3243222
Glycerol	0.8581917	0.7295025	0.7705866	0.8729333	0.801023	0.7477561	0.7171694	0.7435208	0.7671998	0.7189116	0.7615735	0.7269079	0.6906252	0.6405533	0.757069	0.7448853	0.6679441	0.7648648	2.094696	0.7438424	0.7521966	0.8033796	1.1900516	0.9981632	0.8343087	1.136235	0.8385502	0.8560021	0.755587	1.0385431	0.7842119	1.0321238	0.6862147	0.6634922	0.7302552	0.6033524	0.7676027	0.7284612	0.6597284	0.8262286	0.9074775	0.7295956	0.7557365	0.6654796	0.7773444	0.850295	0.9107539	0.6982588	0.6986338	0.818486	0.889636	0.821752	0.7469648	1.1832497	1.3149518	0.762172	0.7015499	0.5763627	1.2605231	0.6876988	0.7632062	0.859148	0.6321635	2.4441382	3.3495325	0.7526505	0.702309	0.569004	0.7001608	1.0804391	1.6056817	0.66646	1.2725011	0.7094416	0.8020109	0.9923259	0.6219655	0.5653105	0.7095663	0.7055964	0.5600648	0.6929586	0.6339539	0.7341128	1.1413891	0.6909185	0.8363019	1.0238191	0.8573047	0.7392615	0.9354882	0.9914497	0.8801367	0.6010594	0.576508	0.8095238	1.4707055	0.7213042	0.6592245	0.6115821	0.7222681	0.8631919	0.5601554	1.0392819	1.8482573	0.8389249	0.5750555	0.9098592	0.8470603	0.6268898	0.5944417	0.4373172	0.7287049	1.8068085	1.0918532	0.5433512	0.6800832	0.8260976	0.9417368	1.4279178	0.9719433	0.5222586	0.7482721	0.7473273	0.6748328	0.6800927	0.6828911	0.887292	1.1852811	0.5387626	0.6402995	0.5494491	0.6603164	1.8683039	0.911996	0.807109	0.5011586	0.4435075	0.577018	0.7739752	0.4668662	0.6962871	0.6650054	4.9281363
Thioglycolic acid	0.0723046	0.0772736	0.0675524	0.0741812	0.0938857	0.0976283	0.0810537	0.0835332	0.1440214	0.0821956	0.0820888	0.0625354	0.0660052	0.0714227	0.0709068	0.0601687	0.0786172	0.1491062	0.1382476	0.0734399	0.0631884	0.0674018	0.0950249	0.086605	0.0693513	0.0802208	0.0832144	0.0707973	0.0668517	0.0640937	0.0688424	0.0863227	0.0648422	0.0697359	0.0741997	0.0646808	0.0553287	0.0863676	0.0534214	0.0874393	0.0615251	0.0666531	0.0804521	0.0601782	0.0498274	0.0668874	0.0553478	0.0502412	0.0679488	0.1867968	0.079043	0.0601569	0.0621632	0.0571304	0.0579014	0.0597616	0.037359	0.0591001	0.0934845	0.1564726	0.0546448	0.0128123	0.0581288	0.1318694	0.0865327	0.050821	0.1500899	0.0551152	0.0560085	0.0639627	0.091878	0.0521902	0.0675264	0.0514064	0.1588628	0.0442508	0.0615649	0.0564594	0.176733	0.1673211	0.0571497	0.0477988	0.059597	0.0624265	0.0584513	0.0364125	0.0456566	0.0607392	0.0830382	0.0520033	0.0519816	0.0460737	0.0871879	0.0587027	0.0559011	0.0609234	0.0732338	0.1789564	0.0551635	0.0693239	0.0376424	0.0927639	0.044861	0.0471387	0.0718027	0.0363003	0.0548026	0.1794755	0.0806946	0.0529035	0.0493137	0.0341907	0.2168143	0.0712252	0.0897402	0.0823017	0.0776	0.1730465	0.0756924	0.0778813	0.0636838	0.0595343	0.2253232	0.061291	0.0579688	0.0714435	0.0715411	0.0652979	0.09616	0.0665331	0.0616975	0.0840149	0.0623326	0.0940562	0.2466433	0.2263155	0.0110245	0.0523631	0.0567467	0.0826829	0.0477474	0.0682962	0.0659671	0.1298093
Phosphoric acid	1.5463332	1.6994226	1.4480661	1.5962595	2.0841152	2.103436	1.7385241	1.7834061	3.5814755	1.7156748	1.7597345	1.2995885	1.4501705	1.5346971	1.5271579	1.2442587	1.7093563	3.6113732	2.7814822	1.5721713	1.2960197	1.3943433	1.9463928	1.8411525	1.4511161	1.6306452	1.7816973	1.4889902	1.4210655	1.2855364	1.4321205	1.7768436	1.3448107	1.4668913	1.5535503	1.3888875	1.1205516	1.857226	1.0855813	1.878684	1.2128633	1.3403887	1.6989037	1.2522617	1.0000332	1.3821184	1.1030309	1.040748	1.4561847	4.8867289	1.6311787	1.2310496	1.2903839	1.0392635	1.0249027	1.2459158	0.7225824	1.2634071	1.8933016	3.9208022	1.0898555	0.1389119	1.2058921	2.4577477	1.0107377	1.0160727	3.6861932	1.1333979	1.1514293	1.2186896	1.6613915	1.0814518	1.2671187	1.023357	5.8703346	0.7885732	1.2795329	1.1922828	4.4564856	4.3169929	1.1796081	0.9585242	1.2556793	1.2421937	1.0976905	0.6894717	0.8938109	1.2125115	1.7501199	1.0863925	1.0218395	0.8692387	1.8349038	1.3006692	1.1829032	1.2746905	1.3505036	4.5322943	1.1751496	1.4640445	0.6987129	2.0038968	0.9425385	0.8342963	1.2072691	0.6488426	1.1513715	4.2741695	1.709743	1.0727127	1.0186775	0.7032709	5.5468179	1.1451087	1.8021516	1.8065564	1.6082868	3.9852714	1.4913852	1.384014	1.1536973	1.2629063	5.6231886	1.2092674	1.1614799	1.4831282	1.4663446	1.276167	1.9772281	1.4151437	1.2834432	1.8730645	1.2629766	1.6401946	6.2477932	5.3569441	0.124572	1.0378674	1.1121515	1.7102314	0.9438214	1.3729713	1.3338356	1.5776452
L-Threonine	0.2932748	0.3799513	0.2075996	0.2379719	0.2433912	0.4011618	0.2196683	0.5004301	0.2030021	0.1669843	0.2469938	0.3076187	0.2696401	0.4418268	0.2290681	0.2141283	0.2299599	0.2087139	0.3114133	0.2966673	0.234385	0.1490094	0.355004	0.1853518	0.1992136	0.2126809	0.1935899	0.5476789	0.1879109	0.2441006	0.2281962	0.3812677	0.2040726	0.3395188	0.3971645	0.1936149	0.35149	0.2243778	0.1948073	0.3465826	0.3130232	0.1846176	0.201729	0.1767198	0.2851709	0.3023088	0.2152879	0.2390439	0.1392923	0.1790514	0.3806878	0.183486	0.2186399	0.2589585	0.1167625	0.2802542	0.1278099	0.3302676	0.2933527	0.1696265	0.1242856	0.1502183	0.2288128	0.8180737	0.2238458	0.1232006	0.1141184	0.1313784	0.4007516	0.1279681	0.1439493	0.199733	0.105382	0.1251563	0.1463946	0.3545706	0.2868241	0.3116219	0.1547535	0.1634198	0.182139	0.2158277	0.1593184	0.1924566	0.1039727	0.089046	0.2554666	0.1623637	0.1938981	0.1712338	0.3296662	0.1810053	0.3685094	0.3859885	0.2098576	0.2230038	0.2346333	0.202898	0.2019763	0.1353117	0.1026005	0.1633057	0.3491432	0.9250659	0.2271219	0.1621762	0.1748994	0.1428954	0.2715735	0.1452747	0.2077598	0.1549276	0.1750252	0.1475187	0.2167153	0.3341498	0.1556599	0.2198818	0.2357104	0.1824855	0.1375124	0.1726798	0.1511467	0.1122303	0.2025878	0.1497069	0.535171	0.1754015	0.4981479	0.2826294	0.2087748	0.2096783	0.2094607	0.1669325	0.2652129	0.2313415	0.3217365	0.0772345	0.227795	0.1666397	0.0665053	0.1540986	0.127194	0.3427683
Glycine	0.1874554	0.1238689	0.1132947	0.1802606	0.2013412	0.283518	0.11913	0.2746778	0.085805	0.0839856	0.1125132	0.1561945	0.1984389	0.1465246	0.0996084	0.10655	0.0986895	0.1915883	0.4160904	0.0806056	0.097259	0.0552124	0.3197836	0.0826452	0.0923567	0.1163346	0.1461826	0.115726	0.1034615	0.1032611	0.0995367	0.075344	0.080473	0.0986507	0.1858585	0.1128838	0.0797137	0.1144984	0.1355724	0.0641358	0.1077237	0.1117597	0.0957515	0.1165259	0.0925552	0.1353274	0.1024003	0.0830153	0.1304783	0.0846473	0.1434994	0.085193	0.1135745	0.2224256	0.054444	0.1360387	0.0954192	0.1519819	0.2399805	0.1153642	0.0768921	0.1973138	0.1426169	0.8796908	0.119636	0.0735974	0.0746142	0.0753849	0.2456272	0.0621723	0.182996	0.1266765	0.0614037	0.154938	0.0923663	0.2758273	0.1144962	0.1897344	0.096247	0.0798408	0.1058621	0.0858148	0.1020551	0.1882444	0.1625899	0.036132	0.1523545	0.0907825	0.089067	0.0615396	0.0832663	0.0743785	0.2235837	0.1250034	0.0601889	0.1922329	0.1401411	0.0838537	0.0986244	0.0753641	0.1121877	0.0964204	0.1383288	0.4001276	0.0834448	0.065489	0.0784074	0.1070746	0.1375522	0.0969379	0.098208	0.0757398	0.0704792	0.1564615	0.2393164	0.1502138	0.0727201	0.1392849	0.1558782	0.0966146	0.0597578	0.0873266	0.0596409	0.0540653	0.1034161	0.0906532	0.248491	0.0683031	0.1994616	0.1260318	0.1397634	0.1474536	0.0776349	0.0740151	0.1783898	0.131361	0.2287081	0.0407016	0.190341	0.1362005	0.0463372	0.1091012	0.0631749	0.5455119
fumaric acid	0.0114515	0.0173054	0.0093215	0.0112717	0.0203494	0.0120227	0.0203978	0.0133576	0.0043671	0.014047	0.025883	0.0087366	0.0138028	0.0150082	0.0136067	0.0191621	0.0192676	0.0047596	0.0134402	0.0141023	0.014627	0.0188889	0.0158092	0.014494	0.0166809	0.0149401	0.0218049	0.0251463	0.014209	0.0135641	0.0139068	0.0121742	0.0148798	0.0278169	0.0173929	0.0124276	0.0223796	0.0159832	0.0162219	0.015525	0.0143769	0.0222813	0.0193144	0.0122002	0.0117153	0.0219859	0.0056845	0.0167263	0.0185745	0.0054034	0.0050494	0.014842	0.0173667	0.0185437	0.0290738	0.011549	0.0166444	0.0191711	0.0252974	0.0053841	0.0240116	0.0156672	0.0103117	0.023612	0.0163589	0.0221002	0.006065	0.0148013	0.0261976	0.0175599	0.0200238	0.013327	0.0199144	0.0259955	0.0057864	0.0228286	0.0154679	0.0158137	0.0063399	0.0047203	0.0217266	0.0073476	0.0178731	0.0067592	0.00704	0.0136513	0.0173015	0.0086453	0.0173761	0.0193405	0.0106509	0.021418	0.0285562	0.0249535	0.0203342	0.0267727	0.0174821	0.0064545	0.0173896	0.0132972	0.0065424	0.0151396	0.0202457	0.0116186	0.0142953	0.0179031	0.0163139	0.0059704	0.0120889	0.0137543	0.0199596	0.0204233	0.0079266	0.0196838	0.0151933	0.0235879	0.0074049	0.0069125	0.0355741	0.0136597	0.0206265	0.0205711	0.007222	0.0082389	0.0170691	0.0128961	0.016682	0.0160553	0.029118	0.0119465	0.0333164	0.0247373	0.0139536	0.0165017	0.007643	0.0075123	0.0154161	0.0113795	0.0059455	0.0076749	0.0051395	0.004934	0.0641773	0.080324
Glyceric acid	0.0161133	0.0061685	0.0157254	0.0092944	0.0063109	0.0235888	0.0156113	0.0102565	0.0037996	0.0143588	0.0123328	0.0106843	0.0080633	0.0053423	0.0118221	0.0097023	0.0068094	0.0051703	0.0214887	0.0182963	0.0097768	0.0104924	0.0269147	0.0265586	0.0124809	0.0208734	0.0171795	0.0122134	0.0134025	0.0324987	0.020721	0.007008	0.0143791	0.0073151	0.0095384	0.0205974	0.0061955	0.0047809	0.0041753	0.0073605	0.006469	0.0607947	0.0108075	0.0056773	0.006268	0.0178635	0.0198015	0.0170935	0.0104157	0.0063586	0.0120348	0.0149282	0.0065094	0.0174687	0.0136987	0.0154202	0.0090613	0.0052065	0.0061019	0.0038638	0.0095697	0.041745	0.0041358	0.0246917	0.0218941	0.0232372	0.007527	0.0113263	0.0233938	0.0117397	0.0159873	0.007464	0.0052351	0.1011553	0.0079535	0.0126598	0.0043346	0.0061937	0.0037752	0.0020976	0.0074813	0.007272	0.0064136	0.010191	0.018203	0.0066986	0.0218562	0.0055081	0.0533722	0.0415929	0.017524	0.068582	0.0077875	0.0139872	0.0115344	0.0429886	0.0061124	0.0055778	0.011172	0.0033638	0.0024812	0.0182175	0.0075518	0.0192441	0.0134706	0.0200986	0.0138186	0.002418	0.0072969	0.006551	0.041338	0.0193208	0.007893	0.0103107	0.002705	0.0153488	0.0062376	0.0043673	0.004951	0.0138927	0.004837	0.0158927	0.0078183	0.0096059	0.0036185	0.0088738	0.0194922	0.0061223	0.0604132	0.0084769	0.015528	0.008688	0.0142105	0.0124972	0.0046378	0.0053949	0.0245292	0.0110272	0.0043313	0.0144192	0.0033377	0.0083976	0.0254596	0.0050436
1.2.4-Butanetriol	0.0477234	0.0261638	0.0353953	0.034307	0.0477412	0.0694661	0.0228168	0.0425163	0.010981	0.0150601	0.0310219	0.0453311	0.0222462	0.0248682	0.0297687	0.036946	0.0261158	0.0161624	0.2055935	0.0221243	0.0161854	0.0190497	0.0395166	0.0175714	0.0255232	0.0528861	0.033167	0.0242781	0.0288597	0.0378876	0.0234862	0.0431975	0.0223365	0.0267251	0.0225627	0.0236194	0.0271326	0.023222	0.0153598	0.0248545	0.0347839	0.1709887	0.0258259	0.0244865	0.0354868	0.0220265	0.036039	0.0223593	0.0234139	0.0086945	0.0282799	0.022566	0.0226848	0.0638537	0.0326367	0.0252174	0.0289483	0.0156463	0.0149175	0.0074359	0.0187621	0.0854321	0.0197217	0.0134916	0.0455806	0.0120793	0.0133213	0.0131458	0.0118757	0.0130994	0.0208944	0.0223952	0.0247061	0.0346177	0.0271997	0.040491	0.0200643	0.0174961	0.0127502	0.01427	0.0175257	0.0350244	0.0197081	0.0156217	0.0804865	0.0397538	0.0223119	0.0296023	0.036566	0.0317536	0.033354	0.035233	0.030112	0.0304635	0.0114037	0.0248177	0.0219214	0.0209458	0.0324286	0.0425962	0.072687	0.0490725	0.0438378	0.0285413	0.0107853	0.0312572	0.0223412	0.0055211	0.0418569	0.0146335	0.0182203	0.0212379	0.0224134	0.0398058	0.0264745	0.0190337	0.021866	0.0158936	0.027606	0.0158208	0.0240216	0.0327022	0.0229611	0.0224866	0.0423203	0.0365148	0.0331834	0.0395989	0.034586	0.0249311	0.0183371	0.0163249	0.0168083	0.035556	0.0191614	0.0087512	0.0444704	0.02214	0.0345823	0.0412924	0.0463993	0.0673872	0.0348305	0.0335561
Iminodiacetic Acid	0.3506891	0.2243443	0.3078224	0.3372533	0.5684382	0.440469	0.4372772	0.3428396	0.223214	0.5897436	0.4552658	0.3499117	0.3960242	0.3912989	0.3412551	0.4812999	0.297839	0.2787058	0.6633613	0.5997156	0.4593779	0.4158882	0.5580975	0.5428609	0.4186171	0.6034224	0.3959266	0.3434321	0.524082	0.448946	0.4167699	0.3198291	0.5319663	0.4983794	0.3579832	0.408917	0.4091593	0.3287342	0.4207278	0.3940846	0.4031261	0.4264394	0.344436	0.348871	0.332639	0.3811056	0.3339387	0.4270139	0.3846847	0.2261804	0.318663	0.4751399	0.4041935	0.3363404	0.3231353	0.3382343	0.2314361	0.3479808	0.5037444	0.3057271	0.3831865	0.1181627	0.3793175	0.4340852	0.2711686	0.3671241	0.1857248	0.3325258	0.3867278	0.4605928	0.3640955	0.3914653	0.2803589	0.281198	0.2325392	0.3377281	0.3860341	0.4079487	0.2823075	0.1867072	0.4208489	0.3174673	0.3632062	0.3432567	0.4289733	0.2358849	0.4836411	0.3127391	0.4380838	0.323973	0.3688154	0.6871657	0.4220686	0.3220703	0.4935112	0.3853354	0.2794969	0.2785009	0.3644214	0.400297	0.2604036	0.3452196	0.34603	0.3933668	0.4535334	0.3829289	0.4072621	0.267467	0.3068931	0.4705945	0.4588901	0.4102224	0.2728697	0.3195131	0.3278111	0.4319317	0.2881635	0.3143733	0.3762063	0.3714092	0.3729863	0.364868	0.2356104	0.3334651	0.2976926	0.3100403	0.3058429	0.3407096	0.4323498	0.3807016	0.3135322	0.3468355	0.4214949	0.2913446	0.2710492	0.2905763	0.143869	0.3453393	0.296532	0.3104933	0.242423	0.2551341	0.3104306	0.2237582
Malic acid	0.0095364	0.0111569	0.0054161	0.009034	0.0092844	0.0101657	0.0078708	0.010889	0.0048115	0.0071321	0.0109054	0.0059317	0.0079323	0.0080189	0.0092444	0.0111181	0.008227	0.0046922	0.0268111	0.0156866	0.0111956	0.0067534	0.0156907	0.0116361	0.0082344	0.0195551	0.0075734	0.0097544	0.0075284	0.0114248	0.0068859	0.012018	0.0095168	0.0110004	0.0096135	0.0091152	0.008371	0.0084065	0.0072628	0.0103287	0.0069193	0.0140317	0.012606	0.0048269	0.0075225	0.00952	0.0037941	0.0061147	0.0073304	0.0031057	0.002833	0.0092683	0.006891	0.0116484	0.009118	0.0031958	0.0034357	0.0077371	0.0076047	0.002023	0.0091891	0.0137185	0.0049083	0.1028617	0.0132574	0.0116005	0.0021611	0.0043069	0.0054703	0.0045726	0.0102191	0.0071041	0.0104042	0.003083	0.0017479	0.0075881	0.0051028	0.0077451	0.0031436	0.0024961	0.0071634	0.0031012	0.0094241	0.0059292	0.0070481	0.0062849	0.0080188	0.0062993	0.0075642	0.0085779	0.0077589	0.0111737	0.0096364	0.011387	0.0074923	0.0090968	0.0142998	0.004314	0.0093862	0.0063351	0.0055802	0.0101655	0.0087832	0.0087544	0.0082152	0.0290977	0.0068274	0.0026281	0.007518	0.0070114	0.012568	0.0113162	0.0033862	0.0103598	0.011582	0.0055273	0.0032078	0.0029713	0.0060186	0.0081736	0.0055049	0.010743	0.0030661	0.0065703	0.004394	0.0063144	0.0094588	0.0078602	0.0123234	0.0105622	0.0125061	0.0073625	0.0066792	0.0105952	0.0045072	0.0049706	0.0026517	0.0070805	0.0041175	0.0032162	0.0021555	0.0022543	0.0062031	0.1212434
Erythritol	0.1132558	0.0264124	0.0285177	0.0289033	0.0319987	0.1224776	0.0227027	0.0411946	0.0173638	0.0171401	0.0264808	0.0213678	0.0258098	0.0172528	0.0217086	0.0459735	0.0211264	0.0170971	0.1803348	0.0263715	0.022465	0.0195194	0.1349358	0.0427199	0.0268398	0.1190617	0.0266244	0.0296827	0.0358842	0.0351505	0.020535	0.0234946	0.0273336	0.0236147	0.0213562	0.0339624	0.0134275	0.0200099	0.0160454	0.0221334	0.0250694	0.1025712	0.1626727	0.0219272	0.0204263	0.0256523	0.0240019	0.021303	0.0321435	0.0148897	0.0470174	0.0253457	0.0237342	0.0717821	0.020669	0.0199007	0.0192158	0.0153964	0.0337699	0.0172717	0.0195729	0.0594439	0.0235093	0.069555	0.0562421	0.0276197	0.0143628	0.0142575	0.0160889	0.0166059	0.0585725	0.0216766	0.0257925	0.1247887	0.0102072	0.0967569	0.016894	0.0167152	0.0147827	0.0136079	0.0164268	0.0120846	0.019196	0.0167531	0.1236064	0.0153732	0.0321516	0.0250625	0.0617461	0.0270919	0.0276235	0.0803203	0.029172	0.0214222	0.0228247	0.0471193	0.0306056	0.0138149	0.0191187	0.0195398	0.0250227	0.0481142	0.0211795	0.0251111	0.02075	0.0245986	0.0183576	0.014695	0.0264331	0.018703	0.020303	0.0228073	0.0257376	0.057695	0.0275747	0.0288425	0.0080219	0.0144342	0.0294212	0.0303614	0.0249241	0.0442777	0.0186424	0.0123859	0.0147132	0.031803	0.0400711	0.0245304	0.0410191	0.0248869	0.0311103	0.0210517	0.0268132	0.0219201	0.0160021	0.0309757	0.0211154	0.0338539	0.0231214	0.0265991	0.0128782	0.0165868	0.0358007	0.0468449
L-5-Oxoproline	0.7503133	0.5374703	0.3943759	0.5697885	0.7147712	0.9146525	0.5637262	0.8959901	0.1984019	0.5186061	0.678069	0.4737991	0.7245435	0.5634995	0.4405873	0.5578943	0.411031	0.313336	0.6950651	0.8523428	0.4672813	0.3601967	0.981722	0.4438089	0.4936549	1.4530385	0.5322114	0.7307364	0.3642254	0.5102957	0.5538754	0.782473	0.6376726	0.686286	0.6589887	0.4624197	0.4984142	0.5484851	0.5057755	0.6448766	0.7598172	0.5485943	0.5979752	0.4214905	0.5154613	0.6825388	0.4551133	0.477451	0.4916699	0.1998791	0.3485791	0.5525207	0.597669	1.0467402	0.5388175	0.5276416	0.4289408	0.700391	0.8516644	0.2396362	0.6603708	0.9464565	0.8037421	2.2389638	0.5770199	0.6184874	0.2407643	0.3747546	0.4952331	0.3838598	0.7662579	0.7340749	0.6208143	0.8073503	0.2409425	0.8547258	0.4897891	0.7217477	0.4624767	0.1707714	0.3731209	0.4296026	0.463333	0.4761429	0.6516124	0.252087	0.5832294	1.2537215	0.5053227	0.8735755	0.48653	0.4891874	0.6855515	0.5401907	0.3629207	0.6410972	0.3793663	0.3092006	0.4063646	0.5278425	0.3881551	0.6832083	0.5601754	0.8784728	0.5846668	0.4643573	0.5683299	0.1676297	0.8034155	0.4523594	0.6716142	0.8952944	0.3331604	0.8521079	0.5702217	0.4869606	0.3905389	0.460372	0.5490667	0.7114904	0.4861027	0.4776051	0.2664554	0.3220879	0.373835	0.509633	1.0083329	0.4608106	0.8436361	0.8992399	0.5783672	0.522073	0.4120755	0.4932024	0.4191983	0.5220832	0.478355	0.3686501	1.9994388	0.5331118	0.2492825	0.3174001	0.3677283	2.0194015
"1,4 - Butanediol"	0.0616883	0.0158443	0.0144314	0.0159502	0.0225515	0.0628261	0.0154407	0.0234378	0.0107327	0.0140747	0.0159967	0.0160051	0.0158012	0.01305	0.0147016	0.0238493	0.0143929	0.0109267	0.0802936	0.0172685	0.0139452	0.0131915	0.0636704	0.0209177	0.0173664	0.0810875	0.0184513	0.0182633	0.0203271	0.0217896	0.0158234	0.0254399	0.0164409	0.0146999	0.0122295	0.0175274	0.0086371	0.0115037	0.0088077	0.0137271	0.014119	0.047289	0.0177595	0.0132607	0.0139307	0.017908	0.0165362	0.0147142	0.0182457	0.009554	0.0218691	0.014437	0.0141248	0.0419357	0.0137731	0.0124016	0.0116402	0.0111574	0.0202498	0.0096742	0.0128096	0.0311133	0.0141188	0.0270255	0.0370478	0.015374	0.0064962	0.0092484	0.0098333	0.0101548	0.0248169	0.0127061	0.01266	0.0645208	0.0070921	0.0287206	0.0110543	0.0105569	0.0084372	0.0067408	0.009038	0.0080793	0.011152	0.0110204	0.084885	0.0097551	0.0179099	0.017474	0.0296869	0.018186	0.0164227	0.042474	0.0178625	0.0153068	0.0150902	0.0243131	0.018295	0.009677	0.0137016	0.0136449	0.012838	0.0247604	0.0157956	0.0148718	0.0128547	0.013875	0.0131202	0.0091222	0.0179156	0.0113839	0.0138669	0.0139922	0.0085088	0.0239558	0.012884	0.0150605	0.0072648	0.0077261	0.0163008	0.0143426	0.0129538	0.0211009	0.0073344	0.0086811	0.0103065	0.0168734	0.0220734	0.0158908	0.0240612	0.017448	0.0169636	0.0134669	0.0157157	0.015375	0.0101749	0.0114126	0.0129939	0.0169031	0.0123929	0.0141514	0.0082402	0.0100698	0.020103	0.0154123
L-Cysteine	0.0264008	0.0186393	0.0142211	0.0161893	0.0571952	0.032133	0.0107394	0.0301723	0.0069769	0.018709	0.0240348	0.0116676	0.0172638	0.0168121	0.011737	0.0181828	0.0150626	0.0166864	0.0205651	0.0178759	0.0147081	0.0077025	0.0326183	0.0141552	0.017248	0.1791312	0.0171316	0.0164537	0.0133553	0.018099	0.0228591	0.0340548	0.0185411	0.0153441	0.0139972	0.0095172	0.0100108	0.0117498	0.0191761	0.0188056	0.016793	0.016518	0.0270741	0.0142222	0.013976	0.0180438	0.012137	0.0109808	0.0258467	0.0109129	0.0107541	0.0056937	0.0129141	0.0292647	0.0137936	0.0108836	0.0062146	0.018859	0.0323529	0.0124764	0.0120329	0.024292	0.0126285	0.0223733	0.0196841	0.0064708	0.0063785	0.0169739	0.0098839	0.0163326	0.023601	0.0074535	0.0132196	0.0156856	0.0102867	0.0139359	0.0155315	0.0099258	0.016181	0.0078813	0.0064345	0.0059756	0.0181616	0.0077089	0.028638	0.0051246	0.0084094	0.0100835	0.0150749	0.0184817	0.0166453	0.0156615	0.0259066	0.0217098	0.011642	0.0161213	0.0196761	0.0151494	0.0122304	0.0124011	0.0087001	0.0204879	0.0312317	0.0151489	0.0076341	0.0162388	0.012821	0.012385	0.0382065	0.0069921	0.0099279	0.0101096	0.00643	0.0128597	0.0211177	0.0114601	0.0129786	0.0137682	0.0305354	0.0158086	0.0132576	0.005588	0.0136595	0.007065	0.0100511	0.016499	0.0195846	0.0122596	0.0163327	0.006859	0.0171749	0.0083479	0.0115522	0.0124397	0.0141145	0.0165848	0.0175865	0.0091758	0.0065853	0.0067851	0.0051603	0.0066103	0.0119305	0.0183218
Alpha-Ketoglutaric acid	0.0145668	0.0078137	0.006626	0.0076471	0.0106189	0.0098309	0.0201733	0.0104919	0.0048353	0.0068586	0.0102852	0.0058956	0.0086912	0.0080985	0.0140587	0.01014	0.0211423	0.0047744	0.0062971	0.0089944	0.0094944	0.0065504	0.0132591	0.0089727	0.0094399	0.0208172	0.0198968	0.0131699	0.0101296	0.0110944	0.0161781	0.007569	0.0116585	0.0099783	0.0104641	0.0073734	0.0110298	0.0095031	0.0062138	0.0120412	0.0140347	0.0118248	0.0071767	0.0054145	0.0108337	0.0105084	0.0104568	0.0117727	0.0090939	0.0050532	0.0044309	0.0074354	0.0098241	0.0107807	0.0069283	0.0123022	0.0052643	0.0070009	0.011281	0.0030856	0.0096598	0.0093081	0.0058484	0.0093495	0.0173988	0.0190469	0.0025969	0.0150555	0.0408593	0.0053362	0.0111027	0.0056146	0.0183537	0.0045932	0.0032274	0.0087876	0.005325	0.0061884	0.0037072	0.0030791	0.0161286	0.0038073	0.0089364	0.0074327	0.027727	0.0074218	0.0102275	0.0105772	0.0090647	0.0220687	0.0098911	0.0097816	0.0091884	0.0337842	0.0074116	0.0201263	0.024485	0.0036727	0.0140524	0.0046811	0.0073889	0.0082536	0.0077118	0.0174368	0.0063932	0.0076919	0.0179226	0.0037283	0.0082778	0.0074572	0.0109807	0.0347008	0.0027578	0.0116679	0.0111698	0.0144275	0.0033636	0.0034172	0.0131123	0.0071431	0.0068551	0.0081787	0.0025807	0.007051	0.0038443	0.0062646	0.0071322	0.0077078	0.0178485	0.0110409	0.0143157	0.0265736	0.0110495	0.0079841	0.0044358	0.0046778	0.0032404	0.0062374	0.0021533	0.0030466	0.0033834	0.0034897	0.0156534	0.0152242
Glycerol 3-phosphate	0.0136903	0.0176774	0.0082912	0.0123469	0.0233236	0.0142694	0.0117569	0.0180435	0.0040653	0.0065152	0.0136466	0.0239887	0.0118656	0.0144118	0.010947	0.0103139	0.0089756	0.0044631	0.0120866	0.0046227	0.0032449	0.0048233	0.0070072	0.0037557	0.0044751	0.0125763	0.0068078	0.0100076	0.0040252	0.0103613	0.0066889	0.0079551	0.0046453	0.0100806	0.009941	0.0053525	0.0075971	0.012127	0.0041404	0.0110582	0.010899	0.0175585	0.0127992	0.0076694	0.009063	0.010448	0.0062205	0.0078344	0.0150133	0.0022274	0.0040578	0.0075944	0.0102475	0.0260664	0.0097154	0.0121131	0.0370818	0.0130055	0.0059958	0.0027571	0.008032	0.0249717	0.0110711	0.0085768	0.0163072	0.0070492	0.003114	0.007743	0.0094823	0.006015	0.0077391	0.0117461	0.0184635	0.0039008	0.0022282	0.0206114	0.0151322	0.0103735	0.0033611	0.0025254	0.0085503	0.0124358	0.0072971	0.0100922	0.0578596	0.0073242	0.0052204	0.0085726	0.017934	0.0112222	0.0094778	0.0047228	0.0139401	0.0126852	0.0044849	0.0056441	0.0080166	0.0029335	0.0109717	0.0087897	0.0316669	0.0236104	0.0128514	0.0109809	0.0059111	0.0142254	0.0085235	0.0027565	0.0148893	0.0050151	0.0068329	0.0065425	0.0047598	0.0154649	0.0074465	0.009726	0.0031792	0.0043977	0.0081391	0.006809	0.0100525	0.0093315	0.0063336	0.0066239	0.0304524	0.011715	0.0174241	0.0109907	0.009559	0.0071447	0.0060588	0.0080734	0.0042919	0.0139827	0.0037018	0.0043368	0.0228857	0.0074474	0.0041554	0.0038887	0.0069135	0.0026784	0.0122813	0.0088418
Azelaic acid	0.0014835	0.0119984	0.0012709	0.0010015	0.1015118	0.00149	0.0009652	0.0010528	0.0011419	0.0013988	0.0011089	0.000964	0.0008	0.0008643	0.0013559	0.0015352	0.0012645	0.0014506	0.0015788	0.0017085	0.0013684	0.0015078	0.0018254	0.0017036	0.0014843	0.0017376	0.0298862	0.0015445	0.0016363	0.0014779	0.0014602	0.0416924	0.0014033	0.0015408	0.0011457	0.0010004	0.0013999	0.0011881	0.0011013	0.0013964	0.0010945	0.0013534	0.0692271	0.0014374	0.0014939	0.0014181	0.0012485	0.0013061	0.0013114	0.0013078	0.0010823	0.0010434	0.0009963	0.0009001	0.0010725	0.0008769	0.0007835	0.0009732	0.1488114	0.0011897	0.0013214	0.0010457	0.0012004	0.0013576	0.0013199	0.0012288	0.0009017	0.0011758	0.0009356	0.0011327	0.0009303	0.0008944	0.0008445	0.000668	0.0009613	0.0010819	0.0009843	0.0009793	0.0013602	0.0011013	0.0010001	0.0011106	0.0014117	0.0011553	0.0017354	0.0012232	0.0014898	0.0013352	0.0015809	0.001416	0.0016264	0.0015493	0.0016869	0.0015146	0.0014882	0.0015875	0.0470193	0.0018026	0.0017048	0.0045962	0.0014522	0.0015232	0.0458511	0.0015256	0.0016204	0.0015819	0.0014196	0.0017994	0.0014898	0.0013667	0.0014417	0.0014439	0.001452	0.0015024	0.0014612	0.0012652	0.0013373	0.0017241	0.1143352	0.0032332	0.0018015	0.0013929	0.0019284	0.0015729	0.0015781	0.0014208	0.0016057	0.0023887	0.0018368	0.0017118	0.0017323	0.0019535	0.0017734	0.001735	0.0021198	0.0021757	0.0016398	0.00172	0.0014968	0.0015924	0.001307	0.0013227	0.0015616	0.00171
Citric acid	0.2427361	0.4318712	0.1056674	0.4344457	0.4728399	0.3052048	0.1658248	0.2751844	0.2289504	0.3041541	0.5881912	0.1880006	0.2917823	0.1520394	0.1741007	0.4563888	0.1342824	0.1651704	0.2855251	0.3455113	0.2190452	0.233396	0.3862024	0.3455581	0.1832498	0.4468182	0.2665537	0.2843755	0.2310409	0.2155705	0.1618719	0.5258317	0.2533584	0.274913	0.1957071	0.2320793	0.3221409	0.413402	0.2507317	0.5181854	0.2094822	0.3152979	0.6038406	0.2016274	0.1968974	0.3160209	0.109544	0.1903919	0.1635708	0.1223621	0.2061635	0.2336074	0.1617854	0.2915922	0.3066473	0.074019	0.1067996	0.1878548	0.5199915	0.1293671	0.2000348	0.0330649	0.1666588	0.6487382	0.2381166	0.1207962	0.0629972	0.0622897	0.0969104	0.1982384	0.3190589	0.2522418	0.1400495	0.0542838	0.082924	0.1063911	0.184758	0.2156792	0.1538041	0.0954688	0.0983987	0.0910734	0.3040705	0.1432542	0.1501266	0.0896435	0.1789132	0.1929122	0.2902945	0.1913935	0.4652103	0.371411	0.4079893	0.2116522	0.2104774	0.3082017	0.943951	0.238409	0.236448	0.2027479	0.1091853	0.2807719	0.6187746	0.1487095	0.2297119	0.2389515	0.1546187	0.121527	0.627085	0.1523204	0.2646143	0.1373269	0.1297577	0.2936485	0.1873138	0.1422012	0.1134985	0.1859495	0.3865655	0.2163032	0.2921246	0.1765586	0.094528	0.2572834	0.1085158	0.1732811	0.2011457	0.3466005	0.3708323	0.177334	0.3183191	0.1534614	0.2578088	0.2586634	0.1401942	0.2223031	0.0751131	0.2881791	0.1638983	0.1601741	0.0659549	0.0830075	0.222186	0.2157059
Unknown 3	0.0121877	0.009762	0.0087082	0.0094099	0.0078395	0.0071356	0.0063751	0.0056868	0.003881	0.0199632	0.0103693	0.007554	0.00433	0.0042802	0.0079581	0.0066311	0.0048375	0.0035297	0.020855	0.0157628	0.0055006	0.0093719	0.0077894	0.0148433	0.0085814	0.0146761	0.0063114	0.0106751	0.0133286	0.0092173	0.0057209	0.0060037	0.0159514	0.0135295	0.0065159	0.0091171	0.0111377	0.0116266	0.00782	0.0125026	0.0098948	0.0161888	0.0072411	0.0104648	0.0056851	0.0073304	0.0091578	0.01266	0.0065597	0.0043381	0.0078624	0.0166042	0.0124446	0.0095988	0.0144132	0.0085619	0.0036425	0.0142493	0.0125163	0.008275	0.0162893	0.0011981	0.0120359	0.0163588	0.0076974	0.0096781	0.0035781	0.0100444	0.0103522	0.0196099	0.0121437	0.0078427	0.0062611	0.0078327	0.0052785	0.010426	0.0120403	0.0113434	0.0054954	0.0035773	0.0060848	0.0076179	0.007983	0.0102377	0.0141454	0.0061867	0.0077713	0.0100712	0.0083015	0.0064829	0.012207	0.0115793	0.0180891	0.006434	0.021727	0.0073868	0.0070048	0.0058439	0.0105589	0.0066462	0.0047847	0.0123067	0.0080532	0.0088255	0.0143828	0.0087207	0.0059424	0.0045719	0.0090618	0.009196	0.0095362	0.0082493	0.0043664	0.0106196	0.0103543	0.0108968	0.0080691	0.0064273	0.0088764	0.0142345	0.0152424	0.0118741	0.0045734	0.012067	0.0064902	0.0041227	0.0043927	0.0122304	0.0085482	0.008357	0.0068205	0.0045307	0.013968	0.0100853	0.0050378	0.0045638	0.000634	0.0117558	0.0086068	0.0082012	0.0043246	0.0055084	0.0102662	0.0057613
N-(2-Acetamido)iminodiacetic acid	0.0267781	0.0223702	0.0223493	0.0272465	0.0252667	0.0265563	0.0257686	0.0271985	0.0237349	0.0604061	0.0410609	0.0343522	0.0259589	0.0252918	0.0320395	0.0282149	0.0233788	0.0214015	0.0591228	0.0464631	0.0265268	0.0346878	0.0285504	0.0502834	0.0359765	0.0477816	0.0300423	0.0410108	0.0462098	0.035896	0.0289626	0.0270095	0.0470989	0.0416835	0.0238246	0.0293295	0.0340712	0.0327057	0.0225592	0.0354018	0.0293887	0.0437689	0.0263487	0.0332432	0.0235806	0.0276108	0.0331131	0.0396765	0.0257686	0.0193631	0.0256393	0.0438383	0.0328001	0.0262104	0.0376524	0.0227525	0.012749	0.0369266	0.0316727	0.0241503	0.0395038	0.0079474	0.0324564	0.0391251	0.024041	0.0278959	0.0156666	0.02906	0.028343	0.0483956	0.0334775	0.0234492	0.0210474	0.0237455	0.0181553	0.0291785	0.0316556	0.0315588	0.0176816	0.0143561	0.0199526	0.0225916	0.0248881	0.029604	0.0363529	0.02391	0.0281348	0.0324599	0.0316467	0.0275021	0.0393987	0.0377642	0.0518367	0.0282513	0.0552095	0.0279199	0.0268791	0.0244715	0.0354686	0.0237658	0.0207111	0.0347316	0.0258347	0.0283564	0.0381476	0.0267956	0.0230381	0.0192224	0.0285607	0.030219	0.0295054	0.0269891	0.0196809	0.0303598	0.0318614	0.0312354	0.0246163	0.0228799	0.0278846	0.0394472	0.0393855	0.0328727	0.0204362	0.0331116	0.025464	0.0196011	0.0199068	0.0357922	0.0293695	0.0314564	0.0249967	0.023847	0.0420927	0.0325692	0.0243222	0.0231963	0.0145748	0.0366809	0.0279318	0.0288565	0.0212037	0.0226318	0.0315262	0.0241777
Monosaccharides 4	0.1582591	0.5267182	0.6529979	0.2101665	0.6928059	0.2915708	0.3120446	0.4083661	0.2885902	0.4909118	0.4754658	0.368668	0.6018954	0.1769707	0.4100041	0.5550191	0.1893531	0.5826172	0.3937714	0.7826876	0.4104103	0.3442477	0.2182177	0.324494	0.3500997	0.1798566	0.3976577	0.6154142	0.7134207	0.5046525	0.4806037	0.379378	0.818667	0.4034786	0.8597898	0.2785423	0.6159788	0.606884	0.6276472	0.7097777	0.3804685	0.314476	0.4705788	0.5299223	0.5160891	0.4883424	0.5103496	0.5199331	0.5600364	0.2638759	0.1904426	0.2311382	0.5598389	0.1091601	0.5972547	0.5925652	0.2240281	0.4713483	0.3413176	0.1926417	0.6122856	0.2565801	0.5415152	0.0613651	0.1658886	0.6267908	0.2224625	0.3687247	0.5765314	0.3457505	0.2018588	0.1809755	0.1659693	0.2132106	0.2183748	0.3339667	0.347272	0.5369826	0.1542166	0.1102922	0.5317989	0.2377651	0.555741	0.2496726	0.1941101	0.1778381	0.2430276	0.4554547	0.4425819	0.7956647	0.3817898	0.4927586	0.3724695	0.4739362	0.6196108	0.8385551	0.4801076	0.482419	0.4224564	0.4223884	0.1859998	0.3729594	0.694361	0.2472238	0.3254338	0.6160224	0.3629523	0.2682187	0.4872582	0.3518257	0.7399212	0.6005244	0.3057903	0.2517961	0.8317578	0.8137066	0.4229756	0.4777271	0.3043473	0.6236188	0.720596	0.4389488	0.3754874	0.3660603	0.2948588	0.3140122	0.333599	0.5396409	0.1767021	0.2487451	0.4794506	0.4639477	0.6178707	0.1939077	0.3173108	0.5654742	0.2190926	0.2782949	0.136758	0.1581798	0.2507493	0.1300491	0.954679	0.4762823
Myristic acid	0.0291412	0.0367894	0.0232126	0.0242499	0.0581365	0.021912	0.0187832	0.0199789	0.0129773	0.0216253	0.0267142	0.0421446	0.016014	0.0187311	0.0245224	0.0237893	0.0206942	0.017591	0.0502098	0.022972	0.0285278	0.0357425	0.0209502	0.0344406	0.0227218	0.0387792	0.0341828	0.030819	0.0247777	0.0384236	0.0189404	0.0522523	0.0251416	0.0220171	0.0277962	0.0168881	0.0278196	0.0374988	0.0421488	0.0332721	0.0355912	0.0301785	0.0362582	0.0306493	0.0392052	0.0208285	0.0251145	0.0261977	0.0272608	0.019009	0.0229007	0.0227695	0.0506909	0.0377109	0.0404759	0.0239676	0.0226101	0.0187589	0.0469113	0.0117422	0.0328191	0.0433923	0.0308219	0.0525397	0.0520885	0.0302522	0.0130637	0.022827	0.0318421	0.0480972	0.0581685	0.0234429	0.052685	0.0307968	0.014592	0.0398704	0.023913	0.0210704	0.0200375	0.0159856	0.0198171	0.0204633	0.0244063	0.0367841	0.0281427	0.0272531	0.0291426	0.0347086	0.0348382	0.0281983	0.0373843	0.0296574	0.0291152	0.0205582	0.0266878	0.0510138	0.0492574	0.0188732	0.0344561	0.028636	0.0328709	0.0349981	0.0226552	0.0291455	0.0471981	0.0307378	0.024423	0.0202033	0.0309714	0.0258499	0.0353775	0.018861	0.0201218	0.0299274	0.0484869	0.0230927	0.0247147	0.0236005	0.0444081	0.0483812	0.043387	0.0199297	0.0179032	0.0412237	0.02748	0.0292394	0.0239951	0.0232088	0.0277012	0.0169767	0.0342971	0.0207212	0.0251581	0.0299995	0.0165896	0.0169397	0.0192291	0.0294045	0.0152545	0.0257803	0.0195237	0.0149433	0.0354964	0.0541238
Monosaccharides 5	0.4033108	0.4136286	0.8996643	0.6368753	0.8371805	0.1372064	0.3202371	0.1466559	0.2694909	0.1414058	0.7818733	1.4301887	0.2257675	0.2537352	0.4612877	0.6841158	0.3497906	0.264489	0.1211732	0.258471	0.1068742	0.3823731	0.179566	0.0842911	0.2272189	0.2253872	0.7321503	0.2284636	0.4628515	0.4664909	0.4277798	1.1182841	0.2621562	0.2448312	0.2400046	0.3076245	0.4935845	0.5129111	0.1970563	0.3625795	0.4231786	0.8557312	0.4415901	0.4137147	0.5985465	0.3508814	0.6048637	0.4098578	0.3230524	0.1494343	0.4015739	0.3429729	0.4550159	0.6350292	0.670313	0.5778821	0.4788781	0.1713186	0.1248902	0.11272	0.2071835	2.7151574	0.1532651	0.120659	1.6148667	0.4387756	0.1579945	0.1968612	0.2322621	0.2141642	0.2236069	0.446681	0.5712583	0.0502113	0.1793009	0.4939595	0.2243718	0.2323095	0.3867891	0.2970391	0.2325784	1.2665635	0.3259491	0.2600694	0.749204	1.4108909	0.1526958	1.406602	0.5047611	0.7913845	0.8495526	0.0352522	0.3331977	0.1635988	0.1822994	0.1035759	0.9190921	0.1623818	0.518443	0.8516297	1.6612694	0.3786687	1.0050124	1.1228127	0.1843908	0.6636673	0.286856	0.151036	0.7588641	0.2384302	0.2776382	0.4601394	0.3739116	0.2201019	3.4599585	0.2431144	0.405944	0.3131385	0.3192406	0.2063339	0.407728	0.4469644	0.3044101	0.3905087	0.7182222	0.5257348	0.366871	0.7957939	0.1485951	0.6089807	0.1628127	0.1965759	0.3321273	0.3056704	0.2522748	0.3745395	1.2787663	0.2835423	0.6189772	0.9222914	1.0859824	1.6262477	0.514414	1.3073722
Monosaccharides 6	0.5256205	0.3401877	1.0050151	0.6811758	0.5968155	0.1713133	0.3981003	0.1803566	0.2881919	0.1818864	0.8316976	1.3260823	0.2423431	0.2912207	0.4979639	0.6590679	0.4466769	0.2846419	0.1806816	0.3833001	0.1822046	0.4182602	0.2407919	0.1695133	0.3228693	0.317936	0.5677129	0.3661823	0.5400179	0.5616546	0.556523	0.8077483	0.3495945	0.3173929	0.3192653	0.3378372	0.4976204	0.3488534	0.1967592	0.3638106	0.4827763	0.8496096	0.3097054	0.4086278	0.6494943	0.4207057	0.7448832	0.4300089	0.3443458	0.1658787	0.3603248	0.3448982	0.4189992	0.5929475	0.6480491	0.5730887	0.3790579	0.1601437	0.09505	0.1226882	0.2263671	2.2311418	0.1493321	0.1510362	1.47243	0.4368497	0.1644413	0.1966558	0.2560568	0.2149033	0.2278845	0.4544634	0.5554812	0.0687267	0.2323993	0.4912763	0.2357372	0.2615804	0.3839154	0.305343	0.2434523	1.2553631	0.3528739	0.2533417	0.7242768	1.1444732	0.2314833	1.2742784	0.5036957	0.9123968	0.9268749	0.1251098	0.4592548	0.245309	0.2461733	0.1462622	0.6110036	0.2232975	0.5322232	0.5408315	1.3488749	0.3683303	0.6143299	1.1494295	0.1955872	0.6182928	0.2577162	0.1141918	0.4622575	0.2324909	0.2552817	0.4881438	0.3356164	0.2130881	3.3845233	0.2570042	0.3976444	0.3330894	0.2240014	0.2234203	0.3567911	0.4987841	0.2877366	0.341761	0.75073	0.5944268	0.4189022	0.7695267	0.1961952	0.7092569	0.187537	0.2144008	0.363788	0.333604	0.270506	0.3910636	1.0165277	0.2565131	0.6490168	0.831403	0.8468346	1.2963663	0.4697681	1.335929
Monosaccharides 7	0.3861991	0.0876713	0.7775884	0.339106	0.3041143	0.1347576	0.3158916	0.0953484	0.1418617	0.1539563	0.4148899	0.7070677	0.1329206	0.1344528	0.345164	0.2740465	0.2363196	0.1326972	0.0553032	0.2439509	0.1780643	0.2585379	0.2064515	0.3617876	0.2036755	0.2150107	0.5680084	0.1542294	0.4495897	0.3272855	0.3736589	0.293417	0.2584167	0.1157815	0.1726988	0.3121613	0.2395035	0.1840567	0.114299	0.1690703	0.2933052	0.4842913	0.2254397	0.1705786	0.2923059	0.1738235	0.442033	0.2991936	0.2272827	0.0788192	0.2882548	0.2787187	0.161251	0.2037056	0.3133255	0.3995548	0.1341471	0.0582763	0.1575596	0.0769834	0.1885099	0.6383511	0.0712613	0.1053643	0.4466553	0.5311478	0.077919	0.1941264	0.1350621	0.1838279	0.1633906	0.2349054	0.2117444	0.1561622	0.1204049	0.1828825	0.0884523	0.1536568	0.1076096	0.1366806	0.1800991	0.7803894	0.2267758	0.164889	0.3564847	0.6465049	0.1820638	0.3338993	0.3756628	0.5204975	0.6649109	0.3588336	0.2000423	0.1220013	0.3188694	0.0916081	0.3696446	0.0904584	0.3320049	0.3021496	0.5809546	0.2098932	0.2572536	0.6510242	0.2546745	0.2908586	0.1962635	0.0609777	0.2265078	0.251121	0.234523	0.3054938	0.1376805	0.092673	0.7144161	0.1677708	0.2789891	0.1571508	0.2323687	0.2221373	0.1795507	0.4301554	0.1222294	0.2694597	0.2837359	0.375263	0.2298848	0.2764428	0.1208311	0.4827078	0.1195009	0.1355913	0.400456	0.2487841	0.1508441	0.1616699	0.3618847	0.2229481	0.665141	0.8911185	0.5268282	0.9634084	0.4184941	0.8114297
Monosaccharides 8	5.5169287	5.2306467	6.0325259	5.667903	6.0883813	4.9706881	5.5842795	4.6006788	5.6850021	5.6778324	6.0856572	6.286065	4.9798883	5.0879405	5.6170748	5.7396303	5.4974948	5.3784544	3.1876343	5.0471911	4.7063634	5.4520494	5.3056978	5.791932	4.998968	4.760477	6.274288	5.1626807	5.9169094	5.932517	6.1820627	6.0815724	5.6111433	5.1559271	5.2265051	5.8280033	5.6799573	5.8296159	5.2679886	5.3687284	5.3395058	5.9751901	5.8919036	5.3843964	5.6762647	5.0349914	6.1160909	5.4639294	5.0832871	5.0435175	5.5425321	5.6554487	5.3877995	5.5054076	5.4723354	5.7595241	4.6824957	4.4130734	5.8864144	5.349964	5.0603727	5.9562317	3.9998184	5.7190689	5.7106875	6.1364079	5.1532829	4.8396028	5.474638	5.3988441	5.5013687	5.7239271	5.6741729	5.3843334	5.4503667	5.5707831	4.7007929	5.1739309	5.2335789	5.5783714	4.9609822	6.67509	5.8048384	4.9501076	5.8286318	6.5454909	5.4999792	5.6736469	6.0027408	6.2689212	5.945848	5.8624172	5.388596	4.2151844	4.5020146	3.2944077	6.4839872	4.8806821	5.1401286	5.8662283	6.1104942	5.077779	6.5924188	7.1549141	5.5734948	6.0328021	4.9435753	5.6915714	6.7667933	5.7994026	5.6333557	6.3515619	6.6931924	4.2586449	10.4530983	5.5613802	5.1217447	5.980876	6.1027844	5.3292989	5.1978784	5.4810336	5.3945658	5.3643249	4.9732282	5.8368436	5.1774322	5.6938533	4.2826388	6.5364206	4.5498529	3.880853	5.71588	4.2100344	6.2639747	6.4198444	5.7635778	4.3815036	6.1423946	6.8548894	6.5718034	8.4274248	4.1602214	6.9775774
Monosaccharides 9	3.3787331	2.2857979	4.8726423	3.6226146	4.1130108	2.2540182	2.881659	2.0502956	2.7729051	2.8271998	4.4999012	5.2987746	2.2540084	2.322861	3.2184088	4.1665557	2.9444231	2.7409137	1.5489757	3.0585836	2.2252612	3.0419039	2.9271859	3.8526244	2.4391147	2.3813545	5.0607115	2.5228095	3.9059329	3.545276	3.831927	3.6018628	3.0560342	2.3959907	2.5604264	3.5103989	3.3001534	3.890768	2.3868657	2.7662108	3.0423427	5.0155677	3.8593116	2.5690772	3.1158716	2.1574124	3.7679129	2.6498526	2.2445328	2.142897	2.7101642	3.059828	2.5962776	3.3293628	3.4278324	3.6116951	1.7704135	1.6880773	3.6370626	2.1578455	1.9781465	4.2817643	1.3982847	3.4579113	3.9674811	4.5820016	1.7155558	1.5509103	2.2787489	2.1087021	2.1775175	2.6622103	2.8100699	2.0288985	2.0202555	2.6388512	1.690029	2.1088471	2.063683	2.7305587	2.0560329	5.8592039	2.7939611	1.9357368	3.8474754	5.4964116	2.5193899	2.961592	3.3285973	4.9221357	5.1210361	4.1597504	3.1138675	1.8324973	3.4408642	1.3373272	7.4283689	2.2160295	3.120858	3.6063624	3.9494362	2.209989	5.0916014	7.9264681	2.4537291	3.2381673	1.5487137	1.6661889	4.3679707	2.3560778	1.9150789	3.7165496	2.6881592	1.1776396	11.8356136	2.1776883	2.3322424	2.5988906	3.7262426	2.5101871	2.6709194	3.011346	1.8192243	2.4544692	2.6226194	2.9111101	2.5126475	4.0944589	1.578883	5.0024703	1.6855307	1.2392854	4.1031687	1.7268722	2.9748208	3.2794128	2.4771232	2.1320008	5.6904223	6.8591502	3.4953137	8.8272669	2.6411532	8.6681714
Monosaccharides 10	0.0458997	0.0103398	0.0079309	0.0554323	0.0078125	0.1229184	0.001375	0.0132629	0.0759818	0.0023301	0.0034902	0.0133086	0.004621	0.0019518	0.0040305	0.0084909	0.0025333	0.0018415	0.0132405	0.0011395	0.0020235	0.0023832	0.0456712	0.0029242	0.0015999	3.9427709	0.0034085	0.001831	0.0017203	0.256271	0.0018148	0.0026035	0.0032391	0.0027894	0.0026292	0.0073796	0.0021667	0.0024011	0.0033591	0.0018909	0.018893	0.0344408	0.0110968	0.0013798	0.0022484	0.0015197	3.1575441	0.0594661	0.0023978	0.0095075	1.4529737	1.750475	0.0164495	0.0395573	0.0018779	0.4020325	0.0026619	0.0018064	0.0110382	0.0017774	0.0010769	0.0177927	0.0031304	0.1852801	1.3042017	0.0029086	0.0014756	0.0044101	0.0022449	0.002176	0.0172272	0.0096897	2.3612507	0.0121373	0.0008106	0.7380149	0.0040501	0.002711	0.001178	0.0034221	0.0021521	0.0068273	0.0019898	0.0014635	0.2763805	0.0041859	0.0024176	0.0028506	0.003829	0.002877	0.2138438	0.0103036	0.0037799	0.0036175	0.0087937	0.0230071	0.0957982	0.0024961	0.0041957	4.7302993	0.0105315	0.6165302	0.0055879	0.5809859	0.0022035	0.5276775	0.0025042	0.0035692	0.1705348	0.0023588	0.0025108	0.0067779	0.0327202	0.0470878	0.0054356	0.0096173	0.402619	0.0025327	0.0232097	0.0036688	0.115113	0.0036582	0.0032141	0.0024584	0.4470497	0.0057672	0.0074426	0.0023328	0.0104847	0.0141367	0.0078242	0.0043282	0.0045101	0.0398248	0.0028697	0.0055488	0.0073157	0.0167062	5.9054694	0.0434868	0.0257449	0.0109933	0.0046329	0.1158171
glucaric acid	0.008376	0.0030514	0.0049505	0.0041975	0.0104407	0.0031737	0.0023421	0.002387	0.0005241	0.0021648	0.0063576	0.0103558	0.0017555	0.0015337	0.0024788	0.0067869	0.0018257	0.0008021	0.0081397	0.0021146	0.0008418	0.0018967	0.00475	0.002509	0.0012282	0.0072123	0.0055854	0.0016508	0.0038987	0.0037666	0.0028582	0.0049791	0.0019123	0.0017647	0.0015323	0.0048236	0.0025765	0.0047925	0.0012295	0.0042601	0.0019217	0.0171345	0.005753	0.0024911	0.0024141	0.0008575	0.0019772	0.0021969	0.0043784	0.0002494	0.0826862	0.002873	0.0020925	0.0066925	0.0051682	0.0039055	0.0024707	0.0007695	0.0070006	0.0009285	0.0020956	0.0159013	0.0008396	0.0364893	0.0118124	0.00798	0.0001151	0.0008862	0.0017392	0.0018336	0.0047212	0.0027007	0.0039908	0.0117476	0.0001811	0.0060922	0.0011902	0.0014386	0.0005599	0.0006038	0.0007226	0.0043891	0.0014603	0.0008256	0.0148509	0.0062684	0.0022343	0.0028865	0.0072375	0.0055775	0.0058662	0.0105527	0.0055645	0.0010207	0.0022565	0.0013353	0.0150221	0.0002679	0.0024367	0.0052113	0.0042854	0.0040423	0.0085168	0.0069981	0.0019759	0.0045918	0.001099	0.000057	0.0073522	0.0010918	0.001808	0.0033627	0.0003611	0.0012763	0.0168657	0.0017704	0.0010864	0.0005165	0.0059635	0.0032494	0.0045711	0.0041542	0.0000753	0.0014394	0.0015335	0.0029888	0.0036004	0.0045885	0.001628	0.0017086	0.0008913	0.0001261	0.001921	0.0017175	0.0001464	0.0005113	0.0013495	0.0043093	0.0808106	0.004105	0.0023684	0.0058164	0.0036225	0.0114832
Palmitoleic acid	0.0246763	0.0068875	0.0104314	0.0086553	0.018758	0.0098157	0.014991	0.0113158	0.0034773	0.0067789	0.0108724	0.0170749	0.010405	0.011218	0.0173502	0.0098824	0.0076658	0.0045687	0.0308628	0.00973	0.0208146	0.0160671	0.0135302	0.0090003	0.0168245	0.0533775	0.0282021	0.0211503	0.0115931	0.0173999	0.0057058	0.0235442	0.0068813	0.0069484	0.0108631	0.0049969	0.007907	0.0124653	0.0146585	0.0259062	0.0246822	0.0119319	0.0235004	0.009495	0.0217703	0.0084153	0.0122876	0.0147612	0.0119205	0.0048183	0.0076118	0.0143207	0.0181198	0.0243214	0.0171077	0.0102643	0.0079079	0.0064944	0.0395436	0.0052642	0.0535822	0.0199777	0.0275484	0.038276	0.0262097	0.0145697	0.0041135	0.0156287	0.0163095	0.0378949	0.0557462	0.0091524	0.0350558	0.0176315	0.0022289	0.0337188	0.0094668	0.0073895	0.0052725	0.0031715	0.0093417	0.0071133	0.0066199	0.0277517	0.0071526	0.0112589	0.0224735	0.0183969	0.0154277	0.0157868	0.0185651	0.0188902	0.0218355	0.0072036	0.0118052	0.0260503	0.0438468	0.0039916	0.0220076	0.0107398	0.0089976	0.0315487	0.0032795	0.0064429	0.0463937	0.013682	0.0101964	0.0049028	0.0129065	0.0227223	0.015322	0.0034878	0.0042722	0.0113379	0.024322	0.0090261	0.0246255	0.0040188	0.0162351	0.0415717	0.024702	0.0074793	0.0036469	0.0206134	0.0066649	0.0190074	0.0162839	0.0083023	0.0192299	0.0053173	0.0149914	0.010055	0.0138142	0.0251341	0.006578	0.0062155	0.0097547	0.021199	0.0199206	0.0256725	0.0148714	0.0153133	0.0514475	0.0310785
Palmitic acid	1.5118436	0.9391827	0.9472219	1.2146237	1.8871217	1.1096623	1.2371528	1.0317506	0.7919475	1.2106197	1.4730732	1.5684359	1.0094723	1.1867553	1.3541264	1.4452161	1.1821792	0.7976214	1.6751025	0.9950044	1.3854417	1.5252242	1.2839416	1.6695352	1.2058564	1.3839937	1.3712079	1.390144	1.1302285	1.3657448	1.0024356	1.3818502	1.0029336	1.0263099	1.2521679	0.7576855	1.2941202	1.4535589	1.3992008	1.4982894	1.6524082	1.6422945	1.8610566	1.3311323	1.8364899	1.2539305	1.0813486	1.3180553	1.3697562	0.879047	0.9620925	1.1340073	1.5082688	1.8162913	1.7927084	1.4608238	1.5133919	1.0512553	1.5205315	0.7265234	1.4636652	1.7760664	1.4390084	1.892405	2.910234	1.4459686	0.813467	1.431431	1.5580218	1.7762172	1.9901533	1.4640829	1.8836546	1.549353	0.6996688	1.5858364	1.1451759	0.9511157	0.8559764	0.7760315	1.0555213	1.2500792	1.1748433	1.4194686	1.3331288	1.5189057	1.2043657	1.5987938	1.6236404	1.4329493	1.7229106	1.2658796	1.28864	1.1389082	1.1958766	1.9801854	2.3016128	0.894334	1.7860382	1.449885	1.7845531	1.5374483	0.9984848	1.3716158	1.8555169	1.7445284	1.279335	0.8021076	1.534976	1.3379818	1.403964	0.8166887	0.6901828	1.3503992	1.415397	0.864707	1.060823	0.6993863	1.3633726	1.8354928	1.5968942	1.0898733	0.5391354	1.319733	1.3395146	1.2947202	1.2026215	1.1660703	1.759449	1.0905103	1.5790661	1.125373	1.2259359	2.2489164	0.697605	0.761136	0.9171721	1.5248902	0.830354	1.1160378	0.8983869	0.5724904	1.4639141	2.2525432
Myo-Inositol	0.5909082	0.1362102	0.2191065	0.1642991	0.2105466	1.1521722	0.108896	0.2279666	0.073839	0.1308116	0.1882795	0.2345444	0.1451822	0.0965639	0.1360507	0.184443	0.0952399	0.0910547	0.7535563	0.109243	0.1004808	0.1019864	1.3264088	0.1947158	0.1087761	1.3096705	0.1538942	0.1069399	0.1505015	0.2149022	0.1248603	0.1650696	0.1389783	0.0981817	0.1268018	0.193393	0.0567896	0.1102015	0.0649853	0.0732197	0.0729993	0.2628722	0.1362789	0.1084916	0.0991156	0.1430698	0.1002251	0.1206983	0.1809534	0.073066	0.39706	0.0787248	0.1242273	0.5909421	0.1101798	0.1060808	0.0786915	0.08196	0.1571113	0.0668482	0.0649789	0.995112	0.0732555	0.3630501	0.4494922	0.1254334	0.0495492	0.1259616	0.138859	0.0833856	0.401868	0.0777092	0.0583722	0.4804682	0.0611928	0.2188436	0.1010599	0.0698762	0.0770272	0.0639046	0.0767348	0.0978869	0.092026	0.1057696	0.7178985	0.0833025	0.0792646	0.104447	0.5773533	0.128575	0.1768991	0.4611299	0.1289346	0.1882318	0.1692486	0.1252628	0.2827458	0.0690316	0.1313825	0.0818915	0.0206131	0.2334016	0.1364913	0.1247753	0.0744636	0.1173525	0.0989965	0.0621988	0.2658126	0.0886327	0.2434725	0.120817	0.0777774	0.1643066	0.0770434	0.1473871	0.058264	0.0848777	0.1478805	0.181628	0.0794334	0.1963495	0.0733096	0.0718322	0.0579116	0.0932083	0.3292114	0.0906632	0.2241635	0.1365551	0.2187854	0.1087582	0.1511155	0.0957916	0.083062	0.1203576	0.2059631	0.1849268	0.1315062	0.1403027	0.0774106	0.0878995	0.1978063	0.1066691
Methyl stearate	0.007958	0.0039892	0.0062674	0.0147763	0.0091972	0.0027823	0.0069928	0.0088312	0.0018757	0.0020336	0.0121716	0.0183228	0.0069129	0.0094795	0.0093882	0.0076852	0.0062352	0.0021767	0.0008778	0.0050089	0.0027519	0.0057107	0.0028673	0.0013282	0.0055518	0.0086494	0.0018553	0.0109956	0.0049446	0.0078172	0.0068222	0.0026548	0.004206	0.0089544	0.0095664	0.0039482	0.0099924	0.0032254	0.0034554	0.0065134	0.0166918	0.0060969	0.0029685	0.0084718	0.015264	0.0110873	0.0084984	0.0077096	0.0097948	0.0018743	0.0039204	0.0050328	0.008341	0.0146559	0.0074013	0.0086464	0.0131519	0.0076778	0.0011226	0.001879	0.0038076	0.0227245	0.0058048	0.0011	0.0048248	0.001825	0.0021807	0.0052805	0.0047239	0.0029972	0.0021137	0.0067154	0.0070223	0.0006523	0.0023091	0.0073324	0.0074354	0.0054713	0.0021912	0.0018974	0.0068972	0.0085708	0.005405	0.0063539	0.0442377	0.0049108	0.0022329	0.0089554	0.0074122	0.0067662	0.0054153	0.0005644	0.0086956	0.0059661	0.0014985	0.0019007	0.0012943	0.002989	0.009744	0.0022011	0.0272638	0.008071	0.0042383	0.004259	0.0016132	0.0072375	0.0056012	0.0021429	0.0030221	0.0028308	0.0032519	0.0034888	0.0031396	0.0076217	0.0050264	0.0041857	0.0026386	0.0059714	0.0017982	0.0013323	0.004378	0.004304	0.0060157	0.004288	0.0295109	0.0083124	0.0087553	0.0067368	0.003292	0.004895	0.0020335	0.0031313	0.0022668	0.0088955	0.0027772	0.0012392	0.0090497	0.003758	0.0021295	0.0044597	0.0062286	0.0023874	0.0106189	0.0037123
1-Octadecanol	0.0097442	0.0079522	0.009524	0.0097591	0.0129288	0.0089378	0.0075752	0.0066842	0.0081572	0.0093203	0.0089019	0.0094014	0.0077337	0.0083639	0.0092451	0.0093469	0.0083366	0.0089762	0.0083098	0.0096322	0.0083624	0.0133593	0.0083966	0.0089354	0.0094382	0.0096341	0.0092445	0.0098818	0.0100187	0.0095587	0.0092783	0.0101308	0.0096016	0.0086935	0.0087278	0.0081941	0.0109732	0.0087393	0.0074198	0.0054753	0.0096047	0.008852	0.0086918	0.0072133	0.0116571	0.0084386	0.00947	0.0088159	0.0083405	0.0090829	0.0093106	0.0091821	0.0095479	0.008411	0.0105555	0.0091841	0.0079444	0.0074837	0.0114016	0.0089876	0.0057304	0.0068608	0.0092345	0.007562	0.0099277	0.0080369	0.0083399	0.007818	0.0080912	0.0095313	0.0076481	0.0110533	0.0083953	0.0071434	0.007828	0.0087692	0.0083181	0.0083069	0.0090766	0.0089601	0.004992	0.0090044	0.0073539	0.0096721	0.0097936	0.0079966	0.0089342	0.0085228	0.0089772	0.0090822	0.0100702	0.0089758	0.0099817	0.0069394	0.0095347	0.008292	0.0069222	0.0097663	0.0125021	0.009946	0.0088533	0.0082139	0.0100987	0.0096988	0.0086533	0.0104782	0.0083935	0.0080824	0.0096933	0.0076612	0.008305	0.0090496	0.0101008	0.0080792	0.0107744	0.009036	0.0098361	0.0110096	0.0099018	0.0095356	0.0107763	0.0091027	0.0102219	0.0105149	0.0099898	0.0084209	0.0086771	0.0102543	0.0085264	0.009852	0.0093622	0.0070839	0.0086106	0.0093299	0.0106874	0.0116763	0.0077501	0.0084757	0.009217	0.010338	0.0083511	0.0090332	0.0097325	0.01012
"2,3-diphosphoglyceric acid"	0.0104147	0.0035673	0.0042271	0.0090607	0.008062	0.015081	0.0150135	0.0119791	0.0032579	0.0099649	0.0099172	0.0040834	0.0103388	0.0143281	0.0085849	0.0110981	0.0075991	0.0024285	0.0127567	0.011104	0.010312	0.0086655	0.0094152	0.0076857	0.004704	0.0133097	0.0032336	0.0159778	0.0099677	0.005322	0.0050717	0.0042886	0.0060273	0.0167189	0.0088309	0.0043094	0.0150033	0.0046303	0.0108409	0.0033335	0.0130633	0.0079569	0.0066669	0.0083376	0.0066533	0.0054204	0.0028821	0.0100677	0.0088547	0.0031371	0.0039973	0.010428	0.0148763	0.0085491	0.0086804	0.0101687	0.0041766	0.010529	0.0092086	0.006368	0.0026245	0.0017722	0.004915	0.0226454	0.0122964	0.0087651	0.0054723	0.0048447	0.0074004	0.0118173	0.0100418	0.0076909	0.0063906	0.0160925	0.0014345	0.0116393	0.009357	0.0081776	0.0050646	0.0042625	0.0054879	0.006189	0.004427	0.005204	0.0069303	0.0051178	0.0069417	0.0057883	0.0106868	0.009074	0.0036091	0.0153523	0.0093194	0.0089703	0.0171441	0.0150619	0.0041263	0.0034972	0.0104304	0.0031566	0.0055521	0.0066111	0.0119378	0.0074019	0.0106837	0.0056648	0.0058512	0.0042165	0.0037883	0.0114831	0.0079626	0.0079808	0.0063425	0.0038103	0.0097292	0.0107906	0.002136	0.0027502	0.0055854	0.0084609	0.0113881	0.0090885	0.0046215	0.0039442	0.0055956	0.0061927	0.0075496	0.0099752	0.007741	0.0103361	0.010169	0.0047307	0.0062771	0.0085228	0.0043785	0.0041152	0.0007441	0.0060106	0.0014045	0.0021559	0.0020113	0.0016481	0.004826	0.0174426
Linoleic acid	0.19649	0.0785838	0.1026226	0.1705621	0.2586416	0.2226758	0.2211626	0.0939487	0.0217797	0.1098039	0.1681677	0.1930258	0.0901652	0.1408266	0.1979985	0.1721468	0.1236851	0.038383	0.2860587	0.0979012	0.0994332	0.2119325	0.2264072	0.1453241	0.0934972	0.2285356	0.1997544	0.1403249	0.1070199	0.1749858	0.1588663	0.1500489	0.0888005	0.1858417	0.145361	0.0680511	0.1430455	0.1912032	0.204578	0.2167073	0.321804	0.2732992	0.2098967	0.1697413	0.2071881	0.1599915	0.1167322	0.1604437	0.173387	0.0576297	0.064813	0.1320916	0.2107157	0.3190458	0.2559796	0.1819338	0.1565223	0.1085644	0.2899515	0.0542306	0.1319105	0.253556	0.1500652	0.2264416	0.623416	0.2115825	0.0541493	0.1561222	0.221896	0.2096357	0.4240941	0.1409016	0.2677838	0.1729649	0.0333834	0.1935613	0.1190521	0.1274401	0.0517989	0.0504504	0.1157935	0.1051495	0.0795978	0.1171266	0.165702	0.2105876	0.0862316	0.2578541	0.1421633	0.154018	0.2163092	0.1650022	0.1839759	0.1150621	0.1326106	0.2159389	0.25437	0.0560282	0.2432981	0.171302	0.1561219	0.2033265	0.1002626	0.1437037	0.1700484	0.1794996	0.1092473	0.0551095	0.2457811	0.1348379	0.1454805	0.0849172	0.05852	0.1434814	0.1470604	0.1426047	0.1497983	0.05936	0.214624	0.2970147	0.1742247	0.1066616	0.0641603	0.1414276	0.1783342	0.1189719	0.1116855	0.1670082	0.3734152	0.0881891	0.1968358	0.1322719	0.1545286	0.2566795	0.0690489	0.075491	0.0919837	0.1562402	0.0799146	0.1120542	0.1048972	0.0827915	0.188057	0.4182783
Vaccenic acid	0.3739924	0.1165619	0.1866726	0.3182311	0.3543524	0.2092423	0.2311902	0.1545201	0.0770466	0.2553026	0.4194195	0.2181855	0.2025234	0.1146857	0.251527	0.22204	0.0989005	0.0620239	0.5422638	0.1744123	0.2016662	0.2592756	0.3647517	0.4094423	0.3038124	0.4506761	0.3222134	0.239305	0.173613	0.2961322	0.2115573	0.2769576	0.1741014	0.1335373	0.2177741	0.0718177	0.126942	0.2558416	0.253708	0.3464075	0.3567297	0.3361348	0.4211102	0.2060304	0.274116	0.2263581	0.1797263	0.2424871	0.2653031	0.0948678	0.1011641	0.2741951	0.2728805	0.4291044	0.3435504	0.2017097	0.2226671	0.1298546	0.6136987	0.0638533	0.3978664	0.4412133	0.2359891	0.7041345	1.6209575	0.2775023	0.0679071	0.1915051	0.2367475	0.4619008	0.5700518	0.2544272	0.4480606	0.2855754	0.0515419	0.3017328	0.1507045	0.1210232	0.1223812	0.0709369	0.1555762	0.1621106	0.1331279	0.2479372	0.2334134	0.2606074	0.3046838	0.3846211	0.2601252	0.3642061	0.4645629	0.3703658	0.2357866	0.1590377	0.2096499	0.5573085	1.1286507	0.0714583	0.3283431	0.3441528	0.2713259	0.4033302	0.0912443	0.2280684	0.667786	0.2636143	0.2042208	0.0748641	0.4747051	0.2309747	0.2439204	0.1221799	0.0679524	0.4124309	0.1935821	0.1177671	0.2061595	0.067557	0.4504878	0.8399502	0.5705084	0.1400144	0.071793	0.2198272	0.3175127	0.2613972	0.1620682	0.3165365	0.4410096	0.1123352	0.3756662	0.1518366	0.3613323	0.7416893	0.0873845	0.095908	0.1137475	0.3454889	0.1508906	0.2157369	0.1544462	0.1263545	0.5326801	0.5887467
Elaidic acid	0.3736706	0.1153158	0.186134	0.3175541	0.354455	0.2099638	0.2306819	0.1542739	0.0768381	0.2558434	0.4188628	0.2178363	0.2025786	0.1146506	0.2511124	0.221955	0.0988387	0.0619602	0.5421785	0.1731733	0.2013388	0.2588338	0.3643244	0.4086592	0.3028178	0.4509477	0.3207582	0.2382753	0.1719925	0.2944831	0.2100488	0.2757082	0.1732256	0.1332631	0.2172147	0.0709817	0.1265997	0.2559304	0.2534546	0.3461849	0.3563278	0.3358025	0.4204564	0.2057913	0.2736035	0.2257793	0.1793659	0.2420544	0.265037	0.0942917	0.1012542	0.2744054	0.2731912	0.4289857	0.3431108	0.2011702	0.2218456	0.128971	0.6124298	0.0626297	0.3962921	0.4401925	0.2347534	0.7034043	1.6203115	0.2780277	0.0644825	0.1916899	0.2360774	0.4614421	0.5697481	0.2541356	0.4472242	0.2851416	0.052614	0.3005231	0.1494617	0.1197085	0.121313	0.0691692	0.1543413	0.1607101	0.1323531	0.2472573	0.2333887	0.2610381	0.3050885	0.385835	0.2607027	0.3655888	0.4661259	0.3709557	0.2378606	0.160382	0.2107492	0.5584863	1.1288868	0.072029	0.3283781	0.3438635	0.2708125	0.4025665	0.0902848	0.2267067	0.666839	0.2632247	0.2031324	0.0756019	0.4750147	0.2309187	0.2433742	0.1204287	0.067412	0.4118893	0.1931222	0.1173114	0.2060143	0.0669432	0.4498652	0.8407222	0.5698894	0.139679	0.0726611	0.2200488	0.3172554	0.2613199	0.1611205	0.3162103	0.4402509	0.1118025	0.3749441	0.1499696	0.3606532	0.7418273	0.0862092	0.0951141	0.1171693	0.3450956	0.1504927	0.2137501	0.1536863	0.1255965	0.5313868	0.5875162
Oleic acid	0.0294976	0.0074659	0.0096393	0.0174515	0.0248379	0.0190874	0.0223456	0.0133912	0.006412	0.0145157	0.0230363	0.018094	0.0156183	0.012461	0.0206131	0.0180915	0.0098795	0.0048547	0.0331269	0.0093152	0.0182281	0.0192739	0.0196669	0.0111707	0.0195241	0.0310972	0.0177172	0.0121101	0.0138232	0.0191733	0.0111681	0.0176681	0.0102445	0.0102758	0.0125465	0.0054435	0.0111252	0.0148071	0.0147088	0.0187785	0.0239144	0.0212003	0.0273387	0.0119082	0.018774	0.0147863	0.0107545	0.019018	0.0194452	0.0025932	0.0064515	0.0160497	0.0210017	0.0273155	0.025261	0.0144534	0.0151304	0.01239	0.0303422	0.0042833	0.0293138	0.0241099	0.0191039	0.0391011	0.0402148	0.020364	0.0039517	0.0178717	0.0210733	0.0305646	0.0500275	0.008852	0.0259528	0.0158328	0.0037896	0.0268228	0.012661	0.0101663	0.0099797	0.0040944	0.0150046	0.0155169	0.0101459	0.0161147	0.0175202	0.0163547	0.0182313	0.0210458	0.0178864	0.022588	0.0267884	0.016318	0.0154069	0.0072554	0.0152588	0.029886	0.0550629	0.0030216	0.0233712	0.0168813	0.0197798	0.0271122	0.0072761	0.0136326	0.0206276	0.0206798	0.0134972	0.0051224	0.0125735	0.0219795	0.0170071	0.0065917	0.004953	0.0202884	0.0159883	0.0062618	0.0154381	0.0034547	0.0243583	0.0214843	0.0299623	0.0123421	0.0053628	0.0160135	0.0218993	0.0212347	0.0130536	0.0220934	0.0238185	0.005366	0.0213259	0.007889	0.0187389	0.0353397	0.0033228	0.0034636	0.006434	0.0208778	0.0115568	0.0116876	0.0079022	0.0076619	0.0324704	0.0375421
Stearic acid	0.4686362	0.2855965	0.3274905	0.4236284	0.5636279	0.347134	0.306825	0.2565873	0.2393465	0.3815173	0.4343369	0.4280879	0.308051	0.3730652	0.3960312	0.4754271	0.3868101	0.3002938	0.422139	0.3244445	0.4367845	0.4780336	0.4245401	0.4931032	0.3833347	0.3910609	0.3305013	0.3659189	0.3467602	0.3243394	0.3188952	0.3056647	0.2887409	0.324214	0.395897	0.2398489	0.3896219	0.3894033	0.4394144	0.3407229	0.4639507	0.4160809	0.4970286	0.4505791	0.5704117	0.3382807	0.282775	0.3566839	0.4139064	0.304075	0.3339153	0.3323719	0.4447864	0.5098384	0.5282764	0.4186431	0.536293	0.3351353	0.3717809	0.2702506	0.3421403	0.4567665	0.3733961	0.4287173	0.5597336	0.390959	0.3067984	0.4205429	0.4224716	0.469053	0.4148523	0.4733071	0.3880079	0.4023498	0.2501335	0.3736381	0.3758876	0.3220087	0.2849085	0.3214739	0.3303649	0.3576843	0.4067414	0.3725645	0.4891893	0.4293939	0.3361846	0.4874251	0.4783466	0.4203734	0.4845319	0.3904453	0.3961436	0.3708477	0.4236368	0.5210021	0.4481864	0.3399901	0.579615	0.4398355	0.5268722	0.4480701	0.3826754	0.4107391	0.3974129	0.5101057	0.4072054	0.280173	0.435779	0.3774904	0.3983774	0.2977004	0.2196802	0.3793653	0.3586222	0.2424881	0.3076622	0.2266241	0.3263217	0.2961807	0.387309	0.3348747	0.1840936	0.3842108	0.4211215	0.3515329	0.3699863	0.4041277	0.3894956	0.3921564	0.4424028	0.343097	0.3474306	0.403662	0.2614783	0.2799093	0.2839484	0.4466012	0.291172	0.294558	0.237237	0.1744368	0.3668771	0.5760737
Xanthotoxin	0.4239519	0.248205	0.2980882	0.4169289	0.5668562	0.3590067	0.3293593	0.2825242	0.2599773	0.3936731	0.4371292	0.4201743	0.2883392	0.341641	0.3540979	0.4200749	0.3336391	0.2495132	0.3758402	0.2832172	0.4014531	0.4493834	0.4082011	0.4809731	0.3754097	0.3868757	0.3293262	0.3678543	0.3483236	0.3269329	0.321568	0.3046142	0.2850717	0.3169248	0.3852955	0.2262918	0.3740314	0.3700758	0.4141656	0.3147844	0.4381262	0.3901528	0.4737469	0.4267473	0.550152	0.3210693	0.2659969	0.3385322	0.3971958	0.2847672	0.3128388	0.308962	0.4205357	0.4833223	0.5000907	0.3934056	0.5123829	0.3110055	0.3517961	0.2521649	0.3266689	0.4435247	0.3583855	0.412293	0.5417462	0.3752279	0.2887873	0.4002592	0.4013669	0.4486387	0.3965419	0.4555304	0.3738159	0.3876739	0.2405732	0.3658118	0.3690261	0.3119764	0.2722513	0.306493	0.3127062	0.3362283	0.3811531	0.3441829	0.460167	0.4011226	0.3097696	0.4636087	0.4570467	0.4035602	0.4712553	0.3750319	0.3868799	0.360787	0.4110049	0.5076036	0.4333552	0.3246681	0.5610548	0.4176113	0.5022287	0.4218067	0.3545492	0.3831929	0.3677618	0.4790666	0.3748291	0.2477928	0.4038044	0.3496241	0.3779263	0.2844908	0.2123765	0.3772177	0.3631423	0.2568039	0.3233851	0.2436058	0.3435523	0.3128683	0.4016479	0.3473563	0.1918458	0.3790102	0.4081772	0.3286554	0.3416861	0.3687523	0.3467681	0.3459882	0.3938587	0.292112	0.2958056	0.3572794	0.2175785	0.2385991	0.2442048	0.4095001	0.2583835	0.2756088	0.228548	0.1769156	0.3830133	0.5927025
Monostearin	0.1944463	0.0312775	0.1012935	0.2696336	0.0324112	0.198848	0.1185936	0.134187	0.2514735	0.0544918	0.1118878	0.0673218	0.0961178	0.1530673	0.1343371	0.1432164	0.1327298	0.2592085	0.2872179	0.1435677	0.1529174	0.1377321	0.4743647	0.1390788	0.1159454	0.1639399	0.0472446	0.3259981	0.1168285	0.1441323	0.1433272	0.0530481	0.1272371	0.1557845	0.1923297	0.1168454	0.1475685	0.052333	0.1153801	0.1588089	0.3181268	0.1531656	0.0555567	0.1011829	0.1149209	0.1093981	0.0983773	0.1312871	0.146744	0.2961618	0.123299	0.1285586	0.1297798	0.2463183	0.1186841	0.158607	0.095098	0.1315551	0.0473681	0.2525838	0.1177813	0.1374948	0.137275	0.1962086	0.1698251	0.1526349	0.2813602	0.1794726	0.3138323	0.1212358	0.1304985	0.1145686	0.1128254	0.2127829	0.229272	0.1317172	0.1112665	0.1154512	0.2609158	0.2619257	0.1272612	0.1333821	0.1177536	0.1131432	0.7090221	0.123672	0.1112683	0.1293494	0.142959	0.1383699	0.1300515	0.1979558	0.1498384	0.1509861	0.1705655	0.2358324	0.079674	0.2748337	0.1553636	0.0789534	0.0970776	0.1273091	0.0730378	0.1610494	0.1428921	0.1225068	0.118974	0.2316349	0.04863	0.2422518	0.1018873	0.0864428	0.2090816	0.1725395	0.269897	0.099779	0.0555825	0.1706873	0.0146577	0.0799125	0.0597393	0.0769968	0.1897404	0.0605546	0.0570243	0.0873925	0.1097636	0.0915918	0.1196698	0.0886463	0.0990992	0.1093722	0.1032083	0.1245753	0.2506484	0.245111	0.1059578	0.1186109	0.1266585	0.1100501	0.0884553	0.0924356	0.2403621	0.5272691
Glycerol monostearate	0.193937	0.0308135	0.1009597	0.2693309	0.0321043	0.1988829	0.1184162	0.1341926	0.2521216	0.0549187	0.111949	0.0673464	0.0965566	0.1539765	0.1343949	0.1435093	0.1327814	0.2592397	0.2875432	0.1438994	0.153189	0.1384534	0.4748718	0.1394563	0.115808	0.1640837	0.0470032	0.3264421	0.1164942	0.1437628	0.1429244	0.0526475	0.1268477	0.1554124	0.1919784	0.1165972	0.1472578	0.0520361	0.1150694	0.1584784	0.3180415	0.1527907	0.0551637	0.1007789	0.1146341	0.1090435	0.0980704	0.1310364	0.146693	0.2948933	0.1232159	0.1285142	0.1297576	0.2466616	0.1186162	0.1586112	0.0949526	0.1313701	0.0471483	0.25197	0.1175258	0.1372561	0.137064	0.1960328	0.1696893	0.152541	0.2821057	0.1794572	0.3138698	0.1212873	0.1305571	0.1146288	0.1128826	0.212834	0.229315	0.1317513	0.1112854	0.115465	0.2611905	0.2614846	0.1272696	0.1333914	0.1177649	0.113157	0.7090412	0.1236935	0.1112917	0.1293744	0.142985	0.1383964	0.130078	0.1979819	0.1498626	0.1510091	0.170588	0.235855	0.0796977	0.2748593	0.1553916	0.0789843	0.0971134	0.1273464	0.0730758	0.1610875	0.1429295	0.122543	0.1190087	0.231668	0.0486607	0.2422819	0.1019169	0.0864716	0.2091088	0.1725636	0.2699153	0.0997755	0.0555641	0.170654	0.0146111	0.0798561	0.0596771	0.076934	0.189683	0.0605199	0.0570052	0.0873919	0.1097824	0.0916292	0.1197243	0.0887151	0.0991775	0.1094605	0.1032967	0.1246588	0.2507233	0.2451748	0.1060079	0.1186459	0.1266787	0.1100381	0.0884269	0.0923926	0.2403023	0.5272077
Cholesterol	2.1812896	0.767024	1.5949955	1.5912591	1.0699528	2.2910896	2.1874862	1.7681228	1.0011876	1.9521515	2.2775881	1.8214629	1.4534362	1.8379736	1.9793879	1.9464624	1.7834521	0.9955892	1.4835506	1.4899317	1.5380907	1.7915517	1.7557912	0.9086181	1.2721849	1.8350973	0.5693048	2.0343921	1.8796358	1.8452569	1.9229988	0.5947545	1.6555372	2.1766705	2.0392353	1.0419992	2.1233541	0.6310329	1.9179777	1.0104589	2.325327	2.0250457	0.6464037	2.0171958	2.1044182	1.8093582	1.0460646	2.0753815	1.9155799	1.2179523	0.920378	1.9036016	2.4828871	2.1485222	1.8603741	2.1068421	1.6328494	2.1753104	0.7859597	1.952537	0.7496954	1.5743687	1.5275218	2.1265411	2.0613301	2.372696	1.612463	2.2665453	2.7740436	1.9340822	2.4187768	2.238904	1.8483384	2.3693116	1.1549534	2.1891415	1.9880827	1.3696979	1.8373555	1.3474221	2.2624071	2.1297338	1.7530805	1.8500851	2.33006	2.1696192	1.5336264	1.5922149	2.1355539	2.1786981	1.909852	2.40178	1.9401411	2.1270154	1.9443587	2.3456482	0.5143161	1.368441	2.3597939	0.5187172	2.2610881	1.7892282	1.0011449	1.7382494	1.6618278	1.6479892	1.7751999	1.4894805	0.3509931	2.8824707	2.3773113	1.3193798	2.1444991	1.937401	1.0693741	2.0529735	0.6869427	1.2785943	0.3974825	1.521314	1.9511576	2.2795159	2.0016667	0.8778366	2.0881481	2.0740166	2.1531861	2.2156558	1.963595	1.94463	2.6435692	2.3126656	1.8619451	2.0179379	1.8898007	2.3737288	1.4278616	1.8240976	0.5764272	0.593913	1.0456178	0.5256018	2.0440345	3.6366228
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Pubchem Id	Kegg Id
Boric acid	7628	C12486
Formamide	713	C00488
Carbamic acid	277	C01563
2-Aminobutanoic acid	6657	C02261
Pyruvic Acid	1060	C00022
2.3-Butanediol	262	-
L-Lactic acid	107689	C00186
"2,3-dihydroxy-butane"	262	-
Glycolic acid	757	C00160
Butylbenzene	7705	-
Valeramide	12298	C01842
L-Valine	6287	C00183
L-Alanine	5950	C00041
2-Ketoisovaleric acid	49	-
"1,2 - dihydroxy-cyclohexene"	"	15642161"	-
2-Hydroxybutyric acid	11266	C05984
m-Cresol	342	C01467
(R)-3-Hydroxybutyric acid	92135	C01089
2-Hydroxyisovaleric acid (OR) 2-hydroxyisocaproic acid	99823 or 92779	-
2-ketoisocaproic acid	70	-
Glyceraldehyde	751	C00118
Benzoic Acid	243	-
Octanoic acid	379	C06423
Glycerol	753	C00116
Thioglycolic acid	1133	C02086
Phosphoric acid	1004	C00009
L-Threonine	6288	C00188
Glycine	750	C00037
fumaric acid	444972	C00122
Glyceric acid	752	C00258
1.2.4-Butanetriol	18302	-
Iminodiacetic Acid	8897	-
Malic acid	525	C00711
Erythritol	222285	C00503
L-5-Oxoproline	7405	C01879
"1,4 - Butanediol"	114729	-
L-Cysteine	5862	C00097
Alpha-Ketoglutaric acid	51	C00026
Glycerol 3-phosphate	754	C03189
Azelaic acid	2266	C08261
Citric acid	311	C00158
Unknown 3	-	-
N-(2-Acetamido)iminodiacetic acid	117765	-
Monosaccharides 4	-	-
Myristic acid	11005	C06424
Monosaccharides 5	-	-
Monosaccharides 6	-	-
Monosaccharides 7	-	-
Monosaccharides 8	-	-
Monosaccharides 9	-	-
Monosaccharides 10	-	-
glucaric acid	33037	C00818
Palmitoleic acid	445638	C08362
Palmitic acid	985	C00249
Myo-Inositol	892	C00137
Methyl stearate	8201	-
1-Octadecanol	8221	-
"2,3-diphosphoglyceric acid"	61	-
Linoleic acid	5280450	C01595
Vaccenic acid	5281127	C08367
Elaidic acid	637517	C01712
Oleic acid	445639	C00712
Stearic acid	5281	C01530
Xanthotoxin	4114	C01864
Monostearin	24699	-
Glycerol monostearate	24699	-
Cholesterol	5997	C00187
METABOLITES_END
#END