#METABOLOMICS WORKBENCH braistedj_20240102_142742 DATATRACK_ID:4551 STUDY_ID:ST003032 ANALYSIS_ID:AN004972 PROJECT_ID:PR001885
VERSION             	1
CREATED_ON             	January 2, 2024, 3:38 pm
#PROJECT
PR:PROJECT_TITLE                 	Effects of Preanalytical Sample Collection and Handling on Comprehensive
PR:PROJECT_TITLE                 	Metabolite Measurements in Human Urine Biospecimens
PR:PROJECT_TYPE                  	LCMS
PR:PROJECT_SUMMARY               	This project evaluates the impact of sample handling conditions on urine
PR:PROJECT_SUMMARY               	metabolome profiles relative to a gold standard condition. The sample handling
PR:PROJECT_SUMMARY               	conditions included a combination of three variables, use of preservative (None,
PR:PROJECT_SUMMARY               	Borate, or Chlorhexidine), refrigeration storage time (0h or 24h), or
PR:PROJECT_SUMMARY               	freeze-thaws (either 1x or 3x freeze-thaws, thawed on ice, in a refrigerator, or
PR:PROJECT_SUMMARY               	at room temperature). Samples were taken from 13 participants, and then
PR:PROJECT_SUMMARY               	aliquoted and subjected to the various conditions. Comparisons between treatment
PR:PROJECT_SUMMARY               	effects were taken between pairs of samples within each participant’s sample
PR:PROJECT_SUMMARY               	set, a within participant paired design.
PR:INSTITUTE                     	National Center for Advancing Tranlastional Sciences
PR:DEPARTMENT                    	Division of Pre-clinical Innovation
PR:LABORATORY                    	Informatics Core
PR:LAST_NAME                     	Braisted
PR:FIRST_NAME                    	John
PR:ADDRESS                       	9800 Medical Center Drive
PR:EMAIL                         	john.braisted@nih.gov
PR:PHONE                         	3014028798
PR:FUNDING_SOURCE                	ZIC TR000410-05, NCATS/NIH
#STUDY
ST:STUDY_TITLE                   	Effects of Preanalytical Sample Collection and Handling on Comprehensive
ST:STUDY_TITLE                   	Metabolite Measurements in Human Urine Biospecimens
ST:STUDY_TYPE                    	LCMS Investigation of Urine Metabolite Stability
ST:STUDY_SUMMARY                 	This study evaluates the impact of sample handling conditions on urine
ST:STUDY_SUMMARY                 	metabolome profiles relative to a gold standard condition. The sample handling
ST:STUDY_SUMMARY                 	conditions included a combination of three variables, use of preservative (None,
ST:STUDY_SUMMARY                 	Borate, or Chlorhexidine), refrigeration storage time (0h or 24h), or
ST:STUDY_SUMMARY                 	freeze-thaws (either 1x or 3x freeze-thaws, thawed on ice, in a refrigerator, or
ST:STUDY_SUMMARY                 	at room temperature). Samples were taken from 13 participants, and then
ST:STUDY_SUMMARY                 	aliquoted and subjected to the various conditions. Comparisons between treatment
ST:STUDY_SUMMARY                 	effects were taken between pairs of samples within each participant’s sample
ST:STUDY_SUMMARY                 	set, a within participant paired design.
ST:INSTITUTE                     	National Center for Advancing Tranlastional Sciences
ST:DEPARTMENT                    	Division of Pre-clinical Innovation
ST:LABORATORY                    	Informatics Core
ST:LAST_NAME                     	Braisted
ST:FIRST_NAME                    	John
ST:ADDRESS                       	9800 Medical Center Drive
ST:EMAIL                         	john.braisted@nih.gov
ST:PHONE                         	3014028798
ST:TOTAL_SUBJECTS                	13
ST:NUM_MALES                     	6
ST:NUM_FEMALES                   	7
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	23-64
SU:WEIGHT_OR_WEIGHT_RANGE        	54.4-90.7 kg
SU:HEIGHT_OR_HEIGHT_RANGE        	158-184 cm
SU:GENDER                        	Male and female
SU:HUMAN_SMOKING_STATUS          	12 - Non-smokers, 1 - Smoker
#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           	1	5601_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=255; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=254; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=504; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=252; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=257; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=253; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=246; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=254; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=254; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=259; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=253; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=305; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=307; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=306; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=309; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=305; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=299; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=307; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=310; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=306; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=309; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=384; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=382; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=499; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=383; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=384; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=383; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=375; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=381; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=388; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=382; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	1	5601_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=390; sex=F; age=60
SUBJECT_SAMPLE_FACTORS           	2	5602_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=518; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=517; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=498; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=519; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=518; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=518; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=508; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=517; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=519; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=519; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=518; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=568; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=569; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=568; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=573; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=576; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=563; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=569; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=573; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=573; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=575; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=644; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=655; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=502; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=651; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=638; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=641; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=625; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=633; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=637; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=652; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	2	5602_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=642; sex=F; age=23
SUBJECT_SAMPLE_FACTORS           	3	5603_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=351; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=352; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=500; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=358; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=355; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=359; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=342; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=357; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=355; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=358; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=357; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=407; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=409; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=405; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=407; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=410; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=395; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=407; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=408; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=408; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=408; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=481; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=480; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=501; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=480; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=476; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=478; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=465; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=479; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=486; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=480; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	3	5603_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=477; sex=M; age=56
SUBJECT_SAMPLE_FACTORS           	4	5604_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=851; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=853; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=507; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=856; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=856; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=855; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=831; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=857; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=853; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=855; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=856; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=910; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=909; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=902; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=911; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=905; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=874; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=902; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=908; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=898; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=902; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=972; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=986; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=497; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=972; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=973; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=977; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=952; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=978; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=972; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=981; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	4	5604_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=982; sex=M; age=34
SUBJECT_SAMPLE_FACTORS           	5	5605_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=443; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=443; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=506; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=440; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=440; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=441; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=432; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=452; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=440; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=444; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=440; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=481; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=480; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=484; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=484; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=486; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=471; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=488; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=480; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=476; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=487; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=564; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=564; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=500; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=561; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=566; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=561; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=600; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=566; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=560; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=561; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	5	5605_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=563; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	6	5606_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1135; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1128; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=508; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=1138; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=1145; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=1133; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=1125; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1108; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1135; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=1126; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=1134; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1185; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1184; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=1188; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=1199; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=1192; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=1156; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1191; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1191; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=1183; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=1200; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1250; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1252; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=504; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=1264; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=1264; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=1257; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=1219; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1249; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1258; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=1260; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	6	5606_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=1265; sex=F; age=26
SUBJECT_SAMPLE_FACTORS           	7	5607_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1083; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1085; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=497; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=1088; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=1108; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=1095; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=1077; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1092; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1116; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=1106; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=1096; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1135; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1141; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=1150; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=1141; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=1150; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=1134; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1145; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1150; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=1146; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=1155; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1222; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=1221; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=501; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=1218; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=1225; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=1221; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=1221; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1220; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=1227; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=1224; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	7	5607_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=1221; sex=F; age=36
SUBJECT_SAMPLE_FACTORS           	8	5608_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=282; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=281; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=505; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=282; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=284; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=283; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=278; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=281; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=281; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=283; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=282; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=331; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=333; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=330; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=330; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=334; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=319; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=328; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=329; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=328; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=331; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=403; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=412; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=501; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=418; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=412; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=407; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=399; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=396; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=405; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=408; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	8	5608_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=408; sex=F; age=38
SUBJECT_SAMPLE_FACTORS           	9	5609_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=372; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=371; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=501; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=368; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=370; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=369; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=351; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=368; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=370; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=367; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=367; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=410; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=418; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=416; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=412; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=416; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=408; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=416; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=415; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=418; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=423; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=498; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=495; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=500; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=497; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=493; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=499; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=476; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=459; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=491; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=498; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	9	5609_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=502; sex=M; age=58
SUBJECT_SAMPLE_FACTORS           	10	5610_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=193; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=193; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=501; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=192; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=192; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=192; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=191; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=195; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=192; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=193; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=193; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=244; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=245; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=242; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=247; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=247; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=239; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=242; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=245; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=242; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=246; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=323; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=332; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=501; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=323; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=322; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=321; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=317; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=330; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=329; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=321; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	10	5610_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=328; sex=F; age=51
SUBJECT_SAMPLE_FACTORS           	11	5611_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=134; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=134; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=502; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=135; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=133; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=134; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=132; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=135; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=133; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=135; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=134; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=183; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=185; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=185; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=184; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=184; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=177; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=183; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=182; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=184; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=185; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=268; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=271; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=501; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=274; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=275; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=279; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=279; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=270; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=279; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=272; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	11	5611_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=271; sex=F; age=64
SUBJECT_SAMPLE_FACTORS           	12	5612_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=631; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=632; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=501; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=615; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=625; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=632; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=608; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=629; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=631; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=631; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=627; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=680; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=685; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=683; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=679; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=678; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=658; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=682; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=679; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=680; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=691; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=762; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=761; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=503; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=756; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=753; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=757; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=720; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=738; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=756; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=761; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	12	5612_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=747; sex=M; age=25
SUBJECT_SAMPLE_FACTORS           	13	5613_U1	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=275; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U2	preservative:none | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=274; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U3	preservative:none | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=498; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U4	preservative:none | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=272; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U5	preservative:none | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=274; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U6	preservative:none | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=272; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U7	preservative:none | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=265; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U8	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=271; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U9	preservative:none | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=273; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U10	preservative:none | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=273; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U11	preservative:none | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=275; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U12	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=314; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U13	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=317; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U14	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=316; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U15	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=319; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U16	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=317; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U17	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=311; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U18	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=317; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U19	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=320; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U20	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=318; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U21	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=320; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U22	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=392; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U23	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=sample; Osmolality=390; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U24	preservative:Borate | fridge_store_time:0 | thaw:none	sample_class=pool; Osmolality=502; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U25	preservative:Borate | fridge_store_time:0 | thaw:1 ice	sample_class=sample; Osmolality=395; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U26	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	sample_class=sample; Osmolality=394; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U27	preservative:Borate | fridge_store_time:0 | thaw:1 RT	sample_class=sample; Osmolality=395; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U28	preservative:Borate | fridge_store_time:0 | thaw:4 ice	sample_class=sample; Osmolality=407; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U29	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=397; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U30	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	sample_class=sample; Osmolality=386; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U31	preservative:Borate | fridge_store_time:0 | thaw:4 RT	sample_class=sample; Osmolality=389; sex=M; age=24
SUBJECT_SAMPLE_FACTORS           	13	5613_U32	preservative:Borate | fridge_store_time:24 | thaw:none	sample_class=sample; Osmolality=410; sex=M; age=24
#COLLECTION
CO:COLLECTION_SUMMARY            	Mid-stream spot urine collections were obtained for each participant in the
CO:COLLECTION_SUMMARY            	mornings into a sterile urine collection cup with a vacutainer port.
CO:COLLECTION_SUMMARY            	Participants were not asked to fast. Aliquots were divided into three separate
CO:COLLECTION_SUMMARY            	tubes corresponding to the following preservative treatments: 1) no
CO:COLLECTION_SUMMARY            	preservative, 2) borate preservative (BD Vacutainer C&S Urine Tubes, borate 2.63
CO:COLLECTION_SUMMARY            	mg/mL, sodium formate 1.65 mg/mL), 3) chlorhexidine preservative (BD Vacutainer
CO:COLLECTION_SUMMARY            	Urinalysis Plus, chlorhexidine 0.4%, sodium propionate 94%, ethyl paraben 5.6%).
CO:COLLECTION_SUMMARY            	Tubes were centrifuged at 600xg for 5 min. One mL of urine, with no
CO:COLLECTION_SUMMARY            	preservative, from each participant was pooled and mixed to be used as a QC
CO:COLLECTION_SUMMARY            	sample, which was run repeatedly with other experimentally treated samples
CO:COLLECTION_SUMMARY            	during metabolomics profiling (see section Laboratory assays). Ten aliquots of
CO:COLLECTION_SUMMARY            	each of the 3 preservative samples (30 samples total per participant) were
CO:COLLECTION_SUMMARY            	transferred into 2mL cryotubes to be subjected to various sample handling
CO:COLLECTION_SUMMARY            	conditions, namely refrigeration and free-thaw conditions. Conditions tested
CO:COLLECTION_SUMMARY            	included 3 preservative conditions (no preservative, chlorhexidine, and borate),
CO:COLLECTION_SUMMARY            	2 refrigeration conditions (24-hour refrigeration, no refrigeration/snap
CO:COLLECTION_SUMMARY            	freezing), and 7 freeze-thaw conditions (no freeze-thaw, thaw on ice once or 4
CO:COLLECTION_SUMMARY            	times, thaw in refrigerator once or four times, and thaw at room temperature
CO:COLLECTION_SUMMARY            	once or 4 times). One sample of each preservative treatment was placed in the
CO:COLLECTION_SUMMARY            	refrigerator for 24 h before freezing in liquid nitrogen and stored at -80 °C.
CO:COLLECTION_SUMMARY            	Remaining samples were flash frozen in liquid nitrogen and stored at -80 °C.
CO:COLLECTION_SUMMARY            	They were then subject to various thawing conditions and freeze-thaw cycles.
CO:COLLECTION_SUMMARY            	Thawing was performed at either room temperature, in a refrigerator, or on wet
CO:COLLECTION_SUMMARY            	ice. Freeze thaws consisted of either a single thaw or 4 consecutive freeze-thaw
CO:COLLECTION_SUMMARY            	cycles. Samples undergoing freeze thaws were snap frozen in liquid nitrogen
CO:COLLECTION_SUMMARY            	following their thaw. Samples undergoing freeze-thaw cycles had the thaw time
CO:COLLECTION_SUMMARY            	standardized based on previous work (previous serum study). Thaws on ice were
CO:COLLECTION_SUMMARY            	fixed at 50 min, room temperature thaws were fixed at 10 min, and refrigerator
CO:COLLECTION_SUMMARY            	thaws were fixed at 16 h to simulate a 5 PM to 9 AM thaw often used in
CO:COLLECTION_SUMMARY            	laboratories.
CO:SAMPLE_TYPE                   	Urine
CO:COLLECTION_METHOD             	Spot collection, into sterile urine collection cup
CO:COLLECTION_FREQUENCY          	Single Collection
CO:STORAGE_CONDITIONS            	Described in summary
CO:STORAGE_VIALS                 	Final Storage in 2ml cryotubes.
CO:ADDITIVES                     	None, Chlorhexidine, or Borate (experimental factors)
#TREATMENT
TR:TREATMENT_SUMMARY             	Conditions tested included 3 preservative conditions (no preservative,
TR:TREATMENT_SUMMARY             	chlorhexidine, and borate), 2 refrigeration conditions (24-hour refrigeration,
TR:TREATMENT_SUMMARY             	no refrigeration/snap freezing), and 7 freeze-thaw conditions (no freeze-thaw,
TR:TREATMENT_SUMMARY             	thaw on ice once or 4 times, thaw in refrigerator once or four times, and thaw
TR:TREATMENT_SUMMARY             	at room temperature once or 4 times). 28 samples per participant were treated to
TR:TREATMENT_SUMMARY             	a combination of these conditions to evaluate the impact of these various
TR:TREATMENT_SUMMARY             	handling conditions on measured metabolite levels. Note that the time for freeze
TR:TREATMENT_SUMMARY             	thaws were fixed at 10 minutes for room temperature thaws, 50 minutes for ice
TR:TREATMENT_SUMMARY             	thaws, and 16h for refrigerator thaws, to simulate an overnight refrigerator
TR:TREATMENT_SUMMARY             	thaw. The study design table indicates to which conditions that each sample was
TR:TREATMENT_SUMMARY             	exposed.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	After separating into separate tubes, the samples were centrifuged at 600xg for
SP:SAMPLEPREP_SUMMARY            	5 minutes and the supernatent separated into cryovials and underwent various
SP:SAMPLEPREP_SUMMARY            	treatments. Snap-frozen samples were sent to Metabolon Inc. for sample
SP:SAMPLEPREP_SUMMARY            	extraction and LCMS according to Metabolon established protocols.
SP:PROCESSING_STORAGE_CONDITIONS 	Described in summary
SP:EXTRACT_STORAGE               	Described in summary
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	HILIC (LC/MS Polar Neg)
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
CH:SOLVENT_A                     	15% water/5% methanol/80% acetonitrile; 10 mM ammonium formate, (effective pH
CH:SOLVENT_A                     	10.16 with NH4OH)
CH:SOLVENT_B                     	50% water/50% acetonitrile; 10 mM ammonium formate, (effective pH 10.60 with
CH:SOLVENT_B                     	NH4OH)
CH:FLOW_GRADIENT                 	Linear gradient from 5% B to 50% B in 3.5 minutes, then linear gradient from 50%
CH:FLOW_GRADIENT                 	B to 95% B in 2 minutes.
CH:FLOW_RATE                     	0.50 mL/min
CH:COLUMN_TEMPERATURE            	40-50
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	Other
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Metabolon (LC/MS Polar)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak Area
MS_METABOLITE_DATA_START
Samples	5601_U1	5601_U2	5601_U3	5601_U4	5601_U5	5601_U6	5601_U7	5601_U8	5601_U9	5601_U10	5601_U11	5601_U12	5601_U13	5601_U14	5601_U15	5601_U16	5601_U17	5601_U18	5601_U19	5601_U20	5601_U21	5601_U22	5601_U23	5601_U24	5601_U25	5601_U26	5601_U27	5601_U28	5601_U29	5601_U30	5601_U31	5601_U32	5602_U1	5602_U2	5602_U3	5602_U4	5602_U5	5602_U6	5602_U7	5602_U8	5602_U9	5602_U10	5602_U11	5602_U12	5602_U13	5602_U14	5602_U15	5602_U16	5602_U17	5602_U18	5602_U19	5602_U20	5602_U21	5602_U22	5602_U23	5602_U24	5602_U25	5602_U26	5602_U27	5602_U28	5602_U29	5602_U30	5602_U31	5602_U32	5603_U1	5603_U2	5603_U3	5603_U4	5603_U5	5603_U6	5603_U7	5603_U8	5603_U9	5603_U10	5603_U11	5603_U12	5603_U13	5603_U14	5603_U15	5603_U16	5603_U17	5603_U18	5603_U19	5603_U20	5603_U21	5603_U22	5603_U23	5603_U24	5603_U25	5603_U26	5603_U27	5603_U28	5603_U29	5603_U30	5603_U31	5603_U32	5604_U1	5604_U2	5604_U3	5604_U4	5604_U5	5604_U6	5604_U7	5604_U8	5604_U9	5604_U10	5604_U11	5604_U12	5604_U13	5604_U14	5604_U15	5604_U16	5604_U17	5604_U18	5604_U19	5604_U20	5604_U21	5604_U22	5604_U23	5604_U24	5604_U25	5604_U26	5604_U27	5604_U28	5604_U29	5604_U30	5604_U31	5604_U32	5605_U1	5605_U2	5605_U3	5605_U4	5605_U5	5605_U6	5605_U7	5605_U8	5605_U9	5605_U10	5605_U11	5605_U12	5605_U13	5605_U14	5605_U15	5605_U16	5605_U17	5605_U18	5605_U19	5605_U20	5605_U21	5605_U22	5605_U23	5605_U24	5605_U25	5605_U26	5605_U27	5605_U28	5605_U29	5605_U30	5605_U31	5605_U32	5606_U1	5606_U2	5606_U3	5606_U4	5606_U5	5606_U6	5606_U7	5606_U8	5606_U9	5606_U10	5606_U11	5606_U12	5606_U13	5606_U14	5606_U15	5606_U16	5606_U17	5606_U18	5606_U19	5606_U20	5606_U21	5606_U22	5606_U23	5606_U24	5606_U25	5606_U26	5606_U27	5606_U28	5606_U29	5606_U30	5606_U31	5606_U32	5607_U1	5607_U2	5607_U3	5607_U4	5607_U5	5607_U6	5607_U7	5607_U8	5607_U9	5607_U10	5607_U11	5607_U12	5607_U13	5607_U14	5607_U15	5607_U16	5607_U17	5607_U18	5607_U19	5607_U20	5607_U21	5607_U22	5607_U23	5607_U24	5607_U25	5607_U26	5607_U27	5607_U28	5607_U29	5607_U30	5607_U31	5607_U32	5608_U1	5608_U2	5608_U3	5608_U4	5608_U5	5608_U6	5608_U7	5608_U8	5608_U9	5608_U10	5608_U11	5608_U12	5608_U13	5608_U14	5608_U15	5608_U16	5608_U17	5608_U18	5608_U19	5608_U20	5608_U21	5608_U22	5608_U23	5608_U24	5608_U25	5608_U26	5608_U27	5608_U28	5608_U29	5608_U30	5608_U31	5608_U32	5609_U1	5609_U2	5609_U3	5609_U4	5609_U5	5609_U6	5609_U7	5609_U8	5609_U9	5609_U10	5609_U11	5609_U12	5609_U13	5609_U14	5609_U15	5609_U16	5609_U17	5609_U18	5609_U19	5609_U20	5609_U21	5609_U22	5609_U23	5609_U24	5609_U25	5609_U26	5609_U27	5609_U28	5609_U29	5609_U30	5609_U31	5609_U32	5610_U1	5610_U2	5610_U3	5610_U4	5610_U5	5610_U6	5610_U7	5610_U8	5610_U9	5610_U10	5610_U11	5610_U12	5610_U13	5610_U14	5610_U15	5610_U16	5610_U17	5610_U18	5610_U19	5610_U20	5610_U21	5610_U22	5610_U23	5610_U24	5610_U25	5610_U26	5610_U27	5610_U28	5610_U29	5610_U30	5610_U31	5610_U32	5611_U1	5611_U2	5611_U3	5611_U4	5611_U5	5611_U6	5611_U7	5611_U8	5611_U9	5611_U10	5611_U11	5611_U12	5611_U13	5611_U14	5611_U15	5611_U16	5611_U17	5611_U18	5611_U19	5611_U20	5611_U21	5611_U22	5611_U23	5611_U24	5611_U25	5611_U26	5611_U27	5611_U28	5611_U29	5611_U30	5611_U31	5611_U32	5612_U1	5612_U2	5612_U3	5612_U4	5612_U5	5612_U6	5612_U7	5612_U8	5612_U9	5612_U10	5612_U11	5612_U12	5612_U13	5612_U14	5612_U15	5612_U16	5612_U17	5612_U18	5612_U19	5612_U20	5612_U21	5612_U22	5612_U23	5612_U24	5612_U25	5612_U26	5612_U27	5612_U28	5612_U29	5612_U30	5612_U31	5612_U32	5613_U1	5613_U2	5613_U3	5613_U4	5613_U5	5613_U6	5613_U7	5613_U8	5613_U9	5613_U10	5613_U11	5613_U12	5613_U13	5613_U14	5613_U15	5613_U16	5613_U17	5613_U18	5613_U19	5613_U20	5613_U21	5613_U22	5613_U23	5613_U24	5613_U25	5613_U26	5613_U27	5613_U28	5613_U29	5613_U30	5613_U31	5613_U32
Factors	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:1 ice	preservative:none | fridge_store_time:0 | thaw:1 fridge	preservative:none | fridge_store_time:0 | thaw:1 RT	preservative:none | fridge_store_time:0 | thaw:4 ice	preservative:none | fridge_store_time:0 | thaw:4 fridge	preservative:none | fridge_store_time:0 | thaw:4 fridge	preservative:none | fridge_store_time:0 | thaw:4 RT	preservative:none | fridge_store_time:24 | thaw:none	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:1 ice	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	preservative:Borate | fridge_store_time:0 | thaw:1 RT	preservative:Borate | fridge_store_time:0 | thaw:4 ice	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	preservative:Borate | fridge_store_time:0 | thaw:4 RT	preservative:Borate | fridge_store_time:24 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | 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| fridge_store_time:0 | thaw:4 fridge	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	preservative:Borate | fridge_store_time:0 | thaw:4 RT	preservative:Borate | fridge_store_time:24 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:1 ice	preservative:none | fridge_store_time:0 | thaw:1 fridge	preservative:none | fridge_store_time:0 | thaw:1 RT	preservative:none | fridge_store_time:0 | thaw:4 ice	preservative:none | fridge_store_time:0 | thaw:4 fridge	preservative:none | fridge_store_time:0 | thaw:4 fridge	preservative:none | fridge_store_time:0 | thaw:4 RT	preservative:none | fridge_store_time:24 | thaw:none	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:1 ice	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	preservative:Borate | fridge_store_time:0 | thaw:1 RT	preservative:Borate | fridge_store_time:0 | thaw:4 ice	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	preservative:Borate | fridge_store_time:0 | thaw:4 RT	preservative:Borate | fridge_store_time:24 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:none	preservative:none | fridge_store_time:0 | thaw:1 ice	preservative:none | fridge_store_time:0 | thaw:1 fridge	preservative:none | fridge_store_time:0 | thaw:1 RT	preservative:none | fridge_store_time:0 | thaw:4 ice	preservative:none | fridge_store_time:0 | thaw:4 fridge	preservative:none | fridge_store_time:0 | thaw:4 fridge	preservative:none | fridge_store_time:0 | thaw:4 RT	preservative:none | fridge_store_time:24 | thaw:none	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	preservative:chlorhexidine | fridge_store_time:0 | thaw:none	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge	preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge	preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT	preservative:chlorhexidine | fridge_store_time:24 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:none	preservative:Borate | fridge_store_time:0 | thaw:1 ice	preservative:Borate | fridge_store_time:0 | thaw:1 fridge	preservative:Borate | fridge_store_time:0 | thaw:1 RT	preservative:Borate | fridge_store_time:0 | thaw:4 ice	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	preservative:Borate | fridge_store_time:0 | thaw:4 fridge	preservative:Borate | fridge_store_time:0 | thaw:4 RT	preservative:Borate | fridge_store_time:24 | thaw:none
2,3-dihydroxyisovalerate	26196694	25286482	45568948	24507474	26323690	26394058	24394370	26199542	25540470	22838032	26227338	23856908	24415014	23503266	23957250	23666534	25374486	25622398	25139456	26236662	26589970	26075600	26252706	42103440	23452078	24082020	24236282	23264720	23461400	25294568	24253388	25923572	67388528	73233960	44609476	70687112	74894248	71009112	69649504	71983256	67411528	65726136	71107808	66486388	65518144	64648048	68725792	66019516	68878680	72032128	74602208	73263616	72480640	70530864	66092540	43612800	66478000	66105788	68323000	64498840	66428940	66777416	65633904	65099276	75891816	75770096	40752980	78917760	79945224	79075336	77795536	79167648	82335208	83749120	85404456	84965864	85472952	84680344	87171640	88662640	74443400	79598800	77052856	78469848	81363064	81218488	80543984	43239388	82237992	81760656	81909408	82461568	86969064	87692344	80977720	86003480	100805024	98663912	40988128	96655064	94034808	98152016	96386032	99165280	103225424	102772096	106784232	98462264	107323328	105457072	103507464	112010288	96064824	98893984	99763224	95947024	99496456	97242928	96966336	37694648	103122288	103832232	98785168	102145384	105693520	106950752	104681400	106440400	247982448	247006320	125762832	240643280	254676128	256061680	246094272	259266320	274510528	267697232	282405184	271917664	254871712	281549472	278865600	272802688	242033840	261089200	257328496	243494272	237682880	255445568	245850784	111614928	272381376	248696704	269934400	263443920	285182720	261617680	274440576	280566272	27954762	25699808	123985056	27851798	22848708	22985408	22642710	26410280	21070864	25331880	24743282	24226062	23052708	25683922	22074430	21801118	25872004	22779444	22380660	26668582	27345092	23113024	26023520	128523112	21800330	23929374	20960428	24423764	24481432	20577340	23551942	21191930	73362864	84406232	123717128	76008808	78580152	76568976	77893528	73155248	73436592	66054544	83563608	77109600	80419824	77972912	71522640	78973440	78903000	79292728	75927904	83959056	77338184	82480472	83831528	119910744	70119632	72559352	76108360	73757080	75519272	77069288	81308384	73276520	84463816	83996072	86525104	82161544	79875912	77390624	80145032	80492232	76784808	74614976	79698400	76583296	75116504	77599120	72761344	76853464	75898408	81164944	82287048	79906024	85111160	78691656	79436256	85398336	75842592	77378712	74409144	75750504	72706288	73806320	72953240	75405440	47440896	51527996	108657504	52801400	48820260	48194560	47436356	52963724	53939736	54359204	54889980	52469540	48667760	53625928	49520984	53932888	48319704	49807780	49252692	48734068	49352020	50620708	50526248	114130928	51949332	52272544	52074516	49640432	55225376	54011420	53332404	54838004	71841224	72523296	73739720	73468704	72072680	73020440	78808160	79646120	75455352	70781264	74738568	72054432	68597968	67593576	75230168	73511928	68369752	71075848	72456328	71252552	73985408	71871992	74774992	77670120	75112920	73543328	69972640	69704336	72179312	74966920	74793624	72694160	79673928	78966360	2765904640	72623176	80894600	74372504	75404616	77516952	73091416	79666440	71935744	67621440	70106248	70562160	71856944	69850768	73997544	72245120	74844768	72542528	77469608	76225392	71432024	2714355968	70528936	74518712	71346088	68351176	76530688	66823624	71332632	72292768	40402188	42157100	82903008	44070720	45658620	42920416	43180052	46323992	47173000	46277152	46910268	46373688	45232856	47431452	48348960	49305520	40882796	43504800	42112936	40772076	40082124	44526184	43143000	77418688	48278064	44436316	48266920	42512004	47148504	48517992	49153528	49081152	79066528	73903008	2894019072	68930424	69167232	69297312	80364200	73445112	70647752	65311624	69432760	72776600	74169728	70714488	70478520	72345560	72938000	76363024	76539272	75809256	68133816	71798712	73068864	2902411008	74742120	72533776	68755808	78948200	75189048	72121968	71484320	83306200
2,3-dimethylsuccinate	1385143	976548	1637928	1123679	1235484	1462800	1148368	1229639	1226306	1316349	927900	18013646	17800846	18589510	18064984	17378004	19826482	18218608	18689580	18336904	19814944	532788	315577	1803946	384617	297250	402641	405058	308951	361989	334084	456758	1382056	1586741	1278252	1398108	1603549	1434090	1405445	1577779	1444716	1671109	1277206	15968650	16181172	15040539	15523442	14956288	15869515	17714472	16012654	16095996	16428599	875977	872126	1016951	963843	1008967	995114	913683	1100665	1339934	1172163	1238201	1732031	1228674	1367358	1715608	1469159	1584645	1976320	1662301	1665095	1381563	1428507	14139211	14669272	14830801	14933681	15230442	13396857	13864644	13205523	14223266	13680089	1144873	1273150	1359725	981562	994816	805880	1720636	1258382	1436616	907023	787697	3534927	3029929	1379634	3572172	3130703	3229908	3039589	3305560	3488610	3248297	3752578	14410917	14126553	14343436	13642470	15274616	13600560	13997950	14323478	14390796	13783608	4079723	3371599	1420614	3838832	3658486	4142348	3728960	3832118	3991228	3897830	3703849	1813190	1851462	1686338	1909005	1747191	2469589	1925292	1821982	1979141	2162068	2452783	13821862	14427207	14088643	14483908	14906229	13956014	14472034	14074992	13735691	14053229	2260513	1973162	1672203	1644940	1929229	2521304	2233632	1986492	2223177	2277431	1737803	853676	1031619	1704661	1491018	1189009	1473759	1471388	1087620	1302594	1199387	1369125	11286135	11774230	12245960	12244336	12532757	11463375	12945569	13293643	12096625	12160631	975345	1254776	1584321	1354922	767075	1224565	1221306	1261213	1088630	1318601	1184843	761063	555509	1490151	1018289			594190	625971			782467	10183501	9801428	9306860	9439189	9758614	10563440	9913696	10783040	9793656	10418541		408256	1731583	717981	954377	828203		600164	702129	294001	618542	644101	815132	1247619	1037993	881148	957455	636892	939308	790591	710850	613883	15185900	14891448	16384730	14945405	15290328	16563945	15513660	15723424	16486028	17608484	597046	723438	1652313	952924	541002	875438	570426	721976	896855			535131	534030	1550967	603775	671959	671480	506553	485466	414882	601850	645301	18982112	17692940	18623598	17557948	18702952	17137736	17599008	17679308	17947462	16956626	441600	590233	1530438	695084		629600	608618		583619	750588	596004	1390888	1855146	1513828	1608683	1569024	1610219	1646808	2305211	1866109	1467371	1300113	22063354	18775052	19732858	22874908	21061552	21495464	22034412	23037828	20497204	22856426	1735970	1802843	1770995	1467863	1329834	1700274	1604455	1433061	1368436	1385789	1568785			173178					47792				1789402	1468001	1663951	1745658	1799099	1727076	1705160	1926868	1718122	2015290			133381									1971610	1896987	1437582	1804901	1366852	1811140	1854672	1531911	1711500	1619227	1719676	13508046	12964899	13811327	13700611	13941803	12543739	12532938	12700169	12762529	11127795	1596824	1574249	1172101	1716568	1521222	1438742	1789415	1791868	1860822	1806231	1881327	985555	894288	4220603	928747	838582	933619	1398205	1063110	1084425	1024255	850325	43895628	47358460	48195480	47346892	48071588	46525800	48975176	50318500	50981976	48372840	4395391	1270790	3307837	1574643	1477923	1861601	1361734	1484758	1438816	2619890	2656031
2-aminoadipate	1404084	2900914	17799352	1579185	1183407	1304451	1269282	1182562	1021609	1603686	1844071	1068249	1425786	1024812	1444905	1435421	1167205	2548918	1006554	2219209	1841687	1235374	1511049	5512487	1213654	1800555	2092940	1087094	1500490	1147809	1292736	1016474	12945303	13258752	16702874	12667246	13780032	13275180	12913435	13585730	12726148	12394152	12718010	12421488	13034648	12906709	13038687	12217792	12688315	13414612	13605109	13277390	13595736	11112788	10062735	17976184	10990531	10689084	11466748	9905291	9807227	10216008	10346152	10545113	7500799	9162413	16960972	8694135	10091183	7640443	7442944	9047086	9856018	9700144	10270153	10646666	10923020	11020063	9862894	10722677	6157049	8693025	9722022	8462734	9272483	8607735	8323633	16608507	8514108	7350505	7739989	8286901	8795985	9187889	7094707	8672402	42947580	42140332	14532239	44213008	44287120	46277420	43657672	43994812	45804500	46559012	45235324	43817096	44299344	45867024	45283920	44909556	39436480	42371384	44371452	43221872	43767852	36143904	33628828	15495846	34609164	35451508	35874080	34949472	35791416	36375204	35903996	34697908	10133832	10630929	12359000	10385338	9492787	10742508	9734684	9076903	10771738	10520440	11948537	10764151	11194062	11149655	10936397	10929204	10276191	11011781	10768169	10462600	10435818	8178089	7734778	12728181	7755517	8518424	7904976	7882556	8109618	8209259	8282103	7905438	11750501	11237451	14115244	12372051	11544092	12346156	11903715	12296951	11363118	11284230	11674744	10343608	11039604	11644415	11209742	10676517	10570825	10659231	11093567	11127391	10251885	9056776	8877422	12824619	9294349	8565662	9468707	9073673	8887723	9124731	9116472	8727925	17798026	17893604	12321272	18576050	18327732	18037856	17485174	17572498	17686350	16277858	17245370	17565772	15820885	16848066	17213310	17166662	18119120	17484458	17212020	17458398	16650995	13314053	12718285	11796469	12617926	12956132	13099165	12274706	12452347	12630916	13129235	13257421	10809602	10492760	9817574	9872456	10410106	9989568	9706293	10435687	9912578	10117119	10256199	9893658	9396316	9421952	8509043	9603407	10619084	9714985	10284583	10716663	10220389	8705219	8330855	9927572	8193652	8722201	8165217	7561180	7740987	7768171	8192483	8794883	4566663	5228430	12663033	4886809	4969356	4806523	4490358	5035367	5297173	4948732	4773203	5208173	4799623	4842345	4815431	4859525	4551826	4704476	5146730	4901999	4417043	3602434	3515779	12476520	3575788	3761886	3816123	3473777	3531317	3995095	3747158	3579503	12022779	10601908	26603320	10780525	11589401	10103942	12453367	12169244	11572639	11189162	11958862	10453447	11285063	11305757	10733840	11498952	9906094	10572818	10857176	11583365	10462367	9027770	9172745	26563296	9862621	9214394	9369397	9315446	8616632	9581527	9780939	9490142	12982847	12865327	54733028	9893815	13953533	10853511	12897486	12639033	10852456	12691515	11632238	8572943	11847815	11348696	12364705	10171836	8805281	9068176	11353079	9816656	9288028	9396491	7060679	45741924	9955308	9169296	11845056	7873907	10483291	9416594	7306880	8899932	21208326	19780158	9444487	20557100	21953620	22019674	18316758	21063098	23030798	22310720	22006094	21792724	22489234	21726356	20935090	20743038	21286724	20589024	21393984	20517546	19999652	16598809	16372958	9930378	17592638	17897058	17773892	17795064	17048538	16591048	17984018	18405908	11079024	11183313	15546721	10963124	10724179	11444881	10878318	11767805	11383242	10035318	10952422	10072513	10808463	11073154	11238477	11063681	10186348	10830690	10572123	10611569	10488719	8997523	9217709	16400651	8342152	7981466	8758910	8766525	7602345	7161507	8604413	8319825
2-hydroxyadipate	16687541	11117524	22432844	11553849	11766374	17630550	11822013	11891749	16278652	10980557	16346748	17542532	17064632	16255382	16657793	15966016	16987220	16301845	12903798	11641157	16798698	4504670	3929305	26535380	5182363	3497407	3606441	5652295	3668862	4152205	3603253	4074305	8072111	8316916	22815216	11169891	12355284	8067587	11301285	8970384	8686342	8192758	9200199	12033009	9037340	9401382	9747360	9042375	12650706	9467177	10080514	10081502	10206472	5325136	6040831	25322120	5197162	4774418	5357822	4836128	5359960	6550047	4160311	5236037	12711867	10043703	22571426	11863371	11137028	13675389	12717160	10679230	11354997	11893604	11599733	10858347	10655182	10623755	12173160	10944656	10717929	11738779	10126482	11466182	6322519	5955338	6041086	22196256	4341983	6901414	6944852	4335258	7017694	4639049	6654634	7067046	35239852	32930976	15450509	35447896	42310436	44476052	38371268	38219976	45384336	44643132	39737556	47297004	43765496	47678328	46507732	43055116	37431512	44738764	44638108	43166660	42012884	22928374	20526794	22101266	20356724	23369190	23268702	22456784	21898250	21672688	23650180	21037424	10689865	12889324	7123666	12124292	10695585	12878839	11053691	12020919	13211151	14150383	16633509	13061946	13016626	12662586	11379399	14089188	11454150	12381633	12483612	12450389	11925785	3744168	4449883	5094685	4829852	4916608	4703338	4523187	4556209	4392293	4850259	4817779	15246975	17800872	8269071	17137902	14727848	15455299	15062880	17012164	15091009	14305855	16734821	16399016	13578258	16074884	13572613	14016100	13143094	13754327	13370290	16280873	13273351	6198279	8106851	7353689	6574783	7769641	6218639	5989354	7955080	6734303	6375264	6313173	27181848	29728846	6102844	22318486	21970506	28244930	29444206	20071578	21742568	19295636	28621400	20525282	27698200	29916134	21156650	29219702	22374884	28760420	19877932	31309940	26606234	16157828	16285473	8320828	10254253	12419953	16106232	13423510	14926526	14332385	16158017	13164018	7350398	4933329	20376416	5145775	4894908	4848764	7071143	5260147	4798994	4933468	5186434	5160498	5144516	5382580	5114207	4566628	4676871	7367584	7234194	5128263	5709128	2856401	2779422	18774490	2700516	2845205	2579254	4218936	2580218	2804777	2444781	2458818	1685214	1751890	5391020	1919296	1684000	1630904	1616426	1801221	2006589	1830296	1922933	2104182	1762670	2066923	2082682	2321237	2032653	1933181	1854127	1716299	1945347	831046	906412	5779583	813213	825564	788288	843605	958095	867597	809533	875757	11240609	11774679	20106670	16969564	11805289	11605255	11086351	11869956	18907640	11794574	10724818	17509934	12102720	11477181	17046716	15446061	12841410	18237622	18547484	11541082	17444960	4026050	3938509	20781936	5926425	3431157	3243960	3290918	6328547	6426369	3882061	3623189	16101344	12955841	44880336	7193833	16939666	12803275	14308844	17816740	19134540	10576661	15928243	8816407	6896830	19260858	22415060	14103064	14740239	14702567	21198174	15276679	8188927	8943738	4981898	4686934	8502545	10510589	2619180	6245342	8644376	8387613	5081710	8272339	20325194	20912208	14335394	20494412	22964498	24172976	19496514	24521396	24536560	24796054	22262002	28842292	29032552	29107606	28865840	30184970	26299240	27913386	27607336	28177632	27663564	11684183	11695754	12950411	16272074	11997878	16612238	11330590	11844932	17217826	12937669	12768988	12441195	11736596	25427212	11981287	11372356	10968861	11262683	12091563	11881547	12878567	11643340	13610424	13579074	11894657	11857576	12195741	11592178	11204320	16456547	15928931	12413131	4841977	4789794	24421528	6673685	6044820	5115510	6715251	6764964	7288012	5235962	5628305
2-hydroxybutyrate/2-hydroxyisobutyrate	35496460	33151648	48619824	25946620	28648136	32324214	25542996	31438410	30915010	27041246	29938236	44748128	48674936	48576944	47379448	47580088	51370456	49504824	50248948	50087592	51262756	54057672	51885668	56016320	45251024	46955244	46657736	46746012	48816528	48696348	47183272	51088864	80867064	86705792	49104744	82791000	80410864	83449520	78209344	86022944	74465000	75794816	72854072	76709256	80920120	75514544	74877048	73968360	82686568	86235240	84372104	80873080	82311392	77403760	72928976	56988704	76823544	81448600	75351888	73678200	72532408	73140488	74446784	74670288	26171282	24246104	52915016	24418350	23981422	24935338	22496660	29073340	29647562	30072242	22092394	45704908	47342692	48055292	46242012	47593216	40168268	42460028	40476576	44879664	42597536	45635752	45181352	48791192	48350156	49030476	45895752	47508532	49585532	49924236	49156860	49523160	133844184	136447232	41715824	124625424	118824376	123077304	123456408	140617760	137199056	133783472	132133056	157311328	164929360	169036112	166045824	184719088	162636016	157386352	158947840	150704960	160984400	153767680	171521168	53254132	177172560	171920656	161562128	171497776	172325792	185183760	174632752	176376272	44596468	43430704	42023244	44796060	41156448	45038624	43427280	45026668	48989312	48622104	48590040	59342120	53009592	55862884	53463596	55207604	49515504	49988172	52050244	50122552	49220172	50878916	47805740	42221668	54703932	54756864	54542488	53159560	54614892	55504468	54696564	55622712	106934952	98290072	44009620	103424816	94314360	95452680	87934600	102835688	90102040	109462320	93369016	97018944	96552592	105187576	91832400	94646720	102193200	96220032	98807504	104116872	105196104	103857352	106410688	44134396	101707856	106700160	93668928	110909256	104752928	99043056	107253056	104739048	49802036	62681196	39403924	48577288	52511708	50118452	52640800	52732456	51156008	45355500	60108180	60111444	63915456	60034236	55229504	64988512	57245688	60077324	54794684	64504692	60770652	71134472	64953092	43161868	56797196	62897608	65145792	61830252	62997960	63268596	64896596	58871076	28857438	28088520	56121364	29065572	30949100	26545088	27364894	28177456	29229640	25689920	27301352	34625968	34160816	30952298	32560326	32174002	32388734	33583884	35720828	33088164	37864720	32119906	32230840	61368016	30799662	33140488	31690520	29074226	30122724	30588092	30575236	31598876	36765452	39010668	32417514	37310784	37044544	33668980	34861184	41140948	41794260	41426224	40941284	41198924	37571456	43820420	40255020	44440816	39797560	38568180	38206368	36665140	38853680	38027452	36888132	37723780	38447556	38516124	37700544	38322604	38842848	37389540	39143620	39841932	40887848	47358428	170417408	52449188	48015096	53719968	49266056	51605704	35633736	45813116	50716508	57885844	51361504	50069148	58865520	50803296	55926704	58285540	56515124	55301944	61578568	54783464	55886488	191748896	56491868	52333812	51261972	48604912	51949784	53831916	61686084	53967204	42103324	38081748	169366464	35605440	42699676	39720616	42617700	42567604	39375904	34163064	32479118	51829372	53532144	51854028	54194492	53306532	56327988	58508504	56354804	58321628	53744820	59576492	52823328	162776768	52582620	52290692	56503864	55933888	53167900	59640968	54352472	53001256	53886532	54478608	52615564	55634736	56595732	53553588	54564704	61261272	57614524	61894928	58554492	68946024	62414888	63282924	60989832	68158480	59783200	60308788	59945596	57547084	57626624	60879892	61818932	48041060	65763396	55854980	64584276	58052220	64321884	66079560	65033980	59920884	54786480	53023404	107455888	54598732	50780968	53092320	57431400	57806456	57007084	47847472	52266744	50503892	54280976	53865752	49187704	53911024	52142448	54591288	54812672	54064948	52096240	50269196	49526176	116836784	53452180	51227912	47423260	51066428	53076828	49078328	51383380	56845472
2-hydroxyphenylacetate	33646108	33213138	70200232	30711612	33790680	33115374	33186496	33959520	33856944	29224382	30473010	32640360	34065560	31478218	33073970	31570826	34358292	32839126	35322008	34269320	35186344	35912596	33432780	61902680	32381406	32745792	33827408	30969506	31207798	36103840	31230504	33640548	42128016	46025968	66005236	45154424	50106032	45372548	53443480	46662652	42629376	44370936	54581104	45378004	45914844	49525836	52523232	48650812	42900372	50542480	56311600	54198732	55260308	51927712	44162540	65638832	50665372	44319172	49635424	46398180	49632876	48026684	47069356	47632184	38493176	37614192	61832764	38629204	41486528	38773880	38461072	29567494	41567620	41620976	41983568	42009820	42511384	40608340	42262124	43931292	39056816	41012464	39172524	37063984	40846564	40512728	39512596	69399440	40098036	39812768	38142644	41665568	42288348	42067960	38794160	42155888	129776032	128186544	63972112	132592024	116764272	123711592	126256544	129516248	126850016	127278424	136396880	128921112	136648752	134534944	132578432	142861536	127803864	123850648	128285672	124164208	137869152	125996096	134346448	52568352	137122336	131254360	124997728	127018936	138642720	140469984	135128432	139329776	25016154	23015388	44587468	23120638	28575600	24599728	24354914	27218150	26271098	25501326	26693218	27157714	23190108	26047722	27695366	26815364	23032126	26645718	25158378	23168780	23152966	25453140	28534098	42600244	26595218	23824208	26516288	27180998	27448398	26853422	28056474	27565126	96153776	82056472	46570760	98804040	77561160	73856224	70073664	90091504	74464752	80217600	81043256	80941432	75801040	89124800	69981280	74020688	77791400	79465416	71608296	87752864	87819728	82240504	93705992	52775280	68519712	82587328	66141924	82982904	83280264	77009624	76871232	76955544	75611440	82244712	45538636	75701408	77670480	75221032	79988096	75569136	75018280	67968512	80186760	76616288	82564048	79355968	73895352	77349848	83485696	82130536	77154080	82953912	80534496	82638552	82462736	41911704	72873632	78189120	75115232	75738440	79180816	79694512	79443648	76007024	17796120	13869845	46879720	13787469	14487557	12676010	16384825	17261436	14079245	13503921	10972490	13296098	12214294	15357595	11867670	15027617	16913920	15168933	6664327	17414530	13587513	14570745	15845841	46500604	14981658	15238052	15721403	14348963	13678142	13120144	15260427	16239344	30604630	35409764	41644316	30829918	33123256	29894868	29238378	35767000	33313874	34207540	34146124	33148348	31858622	35218828	31273824	34125236	33874304	31565704	31472472	31827560	33816596	34513708	30436192	43894240	32642434	34680732	31297760	31376144	33508898	32188578	35614388	35569764	47970968	50809584	78946912	39097888	37548540	55953592	42017492	52831660	40172628	38832980	51989792	44393624	37860260	37951580	52714592	41892280	53461480	41339652	44088080	48243764	58427620	39550908	51030116	68576088	45209052	38256948	35107612	40591760	38186248	50114812	48328652	40907308	47950712	50335224	184422080	47386896	47930640	46526264	45006140	45080712	46480652	42368824	44440588	42723816	40924508	40889412	43050388	40358588	45846848	42839176	43339028	44594624	48849220	47226152	41407448	194089728	39591652	41708816	39524548	44062568	42097276	42029988	43410388	44419148	48741192	46441540	43483528	44998184	52493356	53277932	46944564	50630856	55505292	49359924	46694628	48543804	53679792	60100656	59414136	56216640	46366952	46104260	51185428	45097584	43212532	45807464	50031516	46236376	55501116	50202284	47746588	52362696	52093840	50477664	52276552	57864740	39441684	46622628	150935488	43988988	46946388	44358808	43932976	53147216	47440920	46500840	48869428	45706588	41709128	47728912	50728276	41436944	39239848	43587648	44122904	40637220	39037280	37171616	47449656	150500992	41382980	45673692	48317624	43367652	43679456	53104512	43700944	42140184
2-isopropylmalate	20321324	16357367	180639888	17395496	19333024	20192802	16467376	20701636	18855014	12968086	17514452	16330203	16859978	17072904	15976266	16374756	19581766	17341504	19219008	18275276	19153810	9510945	6625107	182173376	7639833	7700598	7908762	7847669	7577954	8481184	7765825	9162190	642899648	660096000	134808768	650260416	638828800	617320576	622205120	641144000	629018560	571359552	604922112	578419840	608944768	585542912	573861696	545069568	590940160	641915328	648858368	619888576	654174016	621552000	565080128	165347200	575027072	522780192	582821184	496253664	580297536	598875200	577539776	585853568	508943360	505798624	152804496	543271872	545008384	545779136	516385984	543021952	544643136	574252480	559496256	550365184	586940480	566588096	569556672	592073984	512876416	526145600	524875744	522876576	526473056	523566016	518152160	134319472	443436192	381519072	360110784	526113600	550604096	519749344	324484832	437875040	28158126	30454092	137108704	31106840	29871760	30282960	30336816	32121652	32650754	33520016	31189586	30476078	31550392	32958688	31910910	34746760	29878518	31786756	31049596	29858368	29332948	33764100	26654566	142610688	33545942	32216984	34654052	34495240	35305164	31707572	32314346	30121882	896110976	938633920	616252032	937056000	893804544	952809600	895763200	911457280	1011845376	1005375296	1023753600	991114624	1027520768	1019556992	1009978048	1030733440	941884416	976046656	948166080	933213760	924248576	1081711616	893345152	617731072	1032300032	1131950208	1042875136	964149888	1068731968	996235968	1094737152	1055821632	13816442		752252736	15383262	41306088	45010356	42934460	15663279	38837892	13052507	14128733		40369152	13884889	38870536	38456180		40176880	44755188	15075781		45878756		653562752	43484212		47525564			41525124	45515104	42256476	160741360	161930176	629132160	164705472	164856144	165930352	161623504	158605920	153894656	131365304	154361056	155987664	144574656	149285344	148492944	147527184	154242336	153570368	159472448	165097312	150975168	145346080	168814352	627654400	141673632	151692368	147888000	143310320	144905904	136511040	151220576	153127872	85958976	85869296	203424368	83612512	96275608	88615616	82604376	97595776	77295880	72169344	78413584	72408464	71284544	75698736	67462368	74122144	73845352	79828664	84064008	83181040	85242536	114686896	103580248	187697984	107032016	86785344	96803360	81033856	94048808	80845352	106352896	109058168	41682796	45666156	616243200	44626688	40756196	42492984	39656596	44142448	48978940	44831820	48439184	46214516	42660340	43691160	42646220	46848204	38863156	40861628	40937440	45097128	40664424	48454424	46618408	571534912	50413648	59287716	49485948	48708376	55099884	55218372	52062624	51639464	121714616	142013184	1755385856	138588960	127516712	117416408	139397728	171127248	150562432	133353368	157801264	135628352	144852768	122489288	138535920	121948440	101987720	132514368	172494368	118555816	135788384	191441072	203697680	1964834432	216957104	197680704	187305136	188563520	190305536	201760976	216222096	188747280	143882576	170334496	48338849792	148197024	176596256	152567216	171990000	163447568	147218176	193793392	177234112	152240416	146326528	152828192	186951728	164992112	133594992	135717600	173036720	142494704	156033024	57480096	55079904	49243869184	77900664	75842952	78102944	68698792	63109400	55400844	55826020	61112796	149840896	146822352	191319408	151870384	161335616	153904400	148592848	167229312	161141280	167781136	168602208	156105792	168850304	172243744	168346256	167322944	151174848	159060608	158899072	151092768	133605960	163812464	157515568	191871856	177437536	175355792	184549152	170744864	173850288	177148896	181162960	179966304	118067856	116099152	22528106496	115467024	138527008	90147160	173127824	169981088	156353024	138317248	104239928	148682896	143893264	138828912	97703112	166748192	124700768	166909536	166567744	123984232	165174992	199700432	192685024	21531125760	188797952	181662464	119480240	189021616	142120992	137257392	146732320	183660768
2-keto-3-deoxy-gluconate	151156928	123747312	214219760	119908536	146405760	126780472	111955952	154735216	175528864	107670352	121714400	134067224	118049920	116857472	123999512	129559808	135351216	143717552	174204416	136587952	146218464	151177712	133681208	221814704	132833448	129963424	131435096	125849952	118375832	140405216	132975952	163909968	88334352	100533632	149030992	91830952	100702000	92281488	100242784	99191840	92197744	90829856	102920848	94339632	105101280	101416680	106924088	100536208	94111304	103493544	116011912	109396176	113824312	77986128	98164016	182915664	109549536	104861384	115836040	97068304	69190352	96031024	97867872	106976552	138776752	141600432	178125680	122509120	161060032	134256128	138331248	141544592	152024864	146935488	154125776	158850768	163371312	160548560	134818864	166386000	141131888	131756616	160298048	134870624	139964528	164305760	155815840	178079936	147270016	164144544	166645936	151265760	148734496	156771696	158346448	161713728	183238432	167892416	137093760	180984656	149063936	170979488	193332992	186972736	171692560	173675616	183188832	162241456	187427424	180025888	178228304	203485280	168906512	176069296	179936464	162645520	188597840	203766192	207063120	127069424	224389072	215775472	197513792	201061776	225878672	223247424	212254880	224660576	147069568	145399520	74182480	69856792	143296288	149188976	124045840	126255016	140905952	94512128	70937528	123814608	72229272	130805240	126154848	145948640	138273056	146013040	65349220	58491448	141976560	140915712	142945776	66946620	160408032	155336256	156543600	151365088	156312960	146370384	151821760	157424960	119874944	157395504	81058384	175440000	158258880	171167584	163588032	106625576	157394608	161531696	152858816	151461104	166889456	180766432	160432368	142032352	159397328	155874336	167878320	101772776	150912800	173579808	167528976	83850584	183385712	177096464	182174368	180599136	183244608	167889408	175794672	179181296	182578048	193767472	74637600	182594048	183936784	184600880	180717376	183050144	180434992	112095512	188551216	179719360	142372192	137838656	181523536	138397184	178778448	185760416	184855744	138637872	130923416	143978784	161361264	62883848	197360352	198585408	145773104	137357328	151064656	151048864	155145376	204957616	109349344		273198112	105893472	13765160		97383672	78425560	99294136		97669896	91823776	90871768	97561064	115889104		77357536	129148176	105091496	128331592	106290048		90224264	282572128	83190592	91404656	87904520	99885176	82454696	102474056	83315856	91840496	64800820	68743184	53868588	63162560	58859172	15559641	61582336	68205840	64487008	67165960	71684016	68939672	56942484	65076988	65908096	64066004	61744792	58412340	59421272	66045136	59947496	61094376	68024640	60624880	70373616	65502432	64259824	42121432	74104016	69480680	68884104	67628304	136512320	145320336	464415680	148388464	86957456	140815424	88742568	142357872	142855360	137954320	139145456	144280544	134571088	122991184	135560960	133936264	132444896	133087368	136861152	125264536	142462592	162360208	165225344	520141632	175598752	149348112	150003504	147359648	155164672	162207072	174798704	148855648	165205072	145211712	613610304	163928560	167913872	147870480	130034264	140777360	145830336	128324008	140200864	116930568	120743632	120226512	142849136	127695904	132535592	114878544	138903808	139478192	137017040	151285216	142468800	508349824	181770624	132519064	137928432	165423472	167421088	158663152	176065648	160211904	202382864	242988832	241759728	236904480	142658976		229250096	288597920	205452832	282225856	236367040	227345152			205410080	275266432		100528600	220771776	69186240	189080272	288659936	286456256	209963296	357705856	271642240	325860608	294689120	315515968	337572320	288674176	290363168	145011808	108233856	526913216	107097576	108073400	100602136	162960304	111550160	105960072	110289904	112639816	146339168	152074672	116887520	114594624	157755456	151288656	154902656	167254432	140306128	136726912	178483664	133248672	579243264	169184000	138615552	120827416	185038240	179178016	121923312	178660896	186598448
2-oxoadipate	12470242	11297834	25549968	12229918	11245563	14131507	12715755	13485727	14616855	11923785	10451643	11640569	14333347	14928095	11936205	12286214	16285259	12697887	16009392	12118126	13702479	23293836	18384048	27916614	20846868	19499484	19825688	19236088	17939712	22746122	20526266	25200160	3666603	3887071	21899064	3341701	3032998	3489382	2440140	1743598	1969177	3414053	2727340	2824294	3176414	2939771	2176879	2706565	2332136	1397371	1471431	2813537	2448004	6375720	7377665	24131614	6584065	4804607	7060671	4975739	3683249	2880566	5390765	4808868	11832782	12682717	24200870	12586361	9981912	13608302	10011857	9838277	9777976	12431952	12131403	13472655	14105148	12466712	11949999	13033375	9927093	8921346	10153784	11738005	10728594	24086092	22485060	23299116	22739830	19454930	22779578	22767156	12298375	12961593	19213440	18799144	31313854	27431494	19298944	26222138	33079900	35242476	26880508	27296096	22537658	36850552	26091896	29121808	26002242	34417108	21789820	26700858	24530274	26715168	26148508	30988782	23505582	51546628	28987696	21679558	32836078	48313464	44567656	40024932	32156832	30957302	47813436	30734512	7454978	7676206	13579989	7407446	6925740	7434862	6452115	5517027	5629099	7672767	7261524	7999545	6934310	7285859	6206173	8273734	5962945	5520605	4972247	7268165	6480224	6820437	6922348	13418653	7565972	8819116	8227393	7682248	3936596	4619641	7770245	6185681	49039032	48270576	16012866	54536636	50457300	55056144	52128812	49305104	50527820	49025152	47556292	44701068	52984412	48371116	50807412	49415156	47310256	47314104	51422496	47812264	45896880	63382396	59506136	13730792	66816308	60821148	71049336	65111260	59175820	58444976	69097848	64792280	20821166	21187928	13026504	21759170	21747752	21004824	24316862	20976212	20901702	21741900	20961814	20304248	20303884	19387236	19480364	20631200	20024996	19759618	20576824	20990058	20319930	21863630	21878626	12995733	21634868	22660100	22660552	20983324	21342494	21992942	21857262	22060828	15787449	14608510	21418268	13960037	14502479	14162253	16111587	14873961	13422838	12663283	14149030	13591341	13284238	13834186	11532332	13721002	13306441	11429991	13222579	13719438	13017537	21489454	19972160	23185446	16558903	17760138	18634006	17430050	17318278	15779011	19272294	19038378	2988429	3229874	13917247	3094694	2813994	3011845	2686573	2198618	2440919	3220256	2989288	2790583	2757175	2822211	2345489	2689002	2310431	1899583	1840117	2577158	2391268	3805822	3657190	13951633	4081550	3718474	3987464	3298729	2943359	2827094	4165924	3484736			13617341																					13693441									16578675	16962492	136870448	10559219	15004149	13768713	11474543	12601772	12767935	14528679	15216976	10235235	10193732	13028858	11584748	14384911	8861256	13521962	11380781	11163845	14842776	13589215	13338412	126706392	16172094	11564231	13942256	17118956	13721565	10122349	14823172	14546848	10647716	11169485	19571622	9385544	10346964	11456091	8812074	9803827	8972488	11356580	10829894	10994537	9817995	8168695	8709542	10079199	6345011	7771047	7226799	8170744	7541575	14414329	16442799	20983550	15794947	13833726	16449460	17007716	11045230	12608136	14855333	13041960	11073024	11506665	234609184	9984140	12421912	11204767	10701876	7121318	10995728	11125254	13448688	13654246	13624614	11329029	11980730	9162898	10398821	14190057	13656534	13904770	19022980	73085048	64045784	237688768	77923824	74623160	67820400	70296496	65762548	61018736	68312824	71568360
3'-a-sialyl-N-acetyllactosamine	3223754	3321759	4920197	3524866	3242131	3468451	3069052	3394443	3186885	3071523	3101891	2818553	3066750	3047090	3166787	2982325	3235747	3312709	3141961	3231883	3164930	2555574	2363367	4421384	2181833	2141402	2194195	2231498	2269239	2353110	2289971	2439227	3324059	3570877	3862356	3215779	3334809	3461367	2954217	3272438	3276221	3160432	2898380	3029567	3011015	2803157	2821612	2741508	3246983	3408446	3170339	2954417	2987061	1926636	2100500	4243478	1947646	2190046	2037899	1957184	1839775	1930046	1834699	1869457	3234369	3103913	4206828	3333514	3534353	3408882	3296307	3317843	3445428	3397875	3410812	3586053	3430650	3637697	3448351	3505575	3229345	3255890	3252622	3375647	3067909	2120125	2109638	4283885	2319597	2454955	2252420	2151315	2326113	2355090	2404375	2258686	6611076	6407940	3864479	6454186	6596496	6798191	6130909	6487813	6703641	6853614	6841155	6237936	6203930	6426900	6339545	6563397	6295035	6602186	6280445	6336352	6385137	4400102	4161384	3857969	4395006	4220703	4352978	4341369	4227708	4236308	4086578	4112197	2661456	2780635	3840220	2728930	2591127	2531143	2328212	2460279	2737130	2850432	2801488	2818358	2711226	2761717	2668500	2733556	2467047	2605167	2616257	2453527	2482919	1442300	1506746	3868867	1441150	1443714	1556031	1517776	1387937	1524818	1493157	1415323	4927377	5186582	3912121	4590266	4638956	4260007	4515491	4565268	4695712	4959462	5189097	5330926	4455753	4656463	4416287	4607757	4867661	4230498	3911158	4527998	4689750	2843746	3182183	4036801	2910873	3299963	3073688	3031893	3336602	3164052	3060052	3058665	5698417	5588524	3835127	5571924	5689881	5840678	5566226	5709579	5727837	5563024	5459660	5979269	5547035	5621729	5930981	5493980	5668673	5834378	5822427	5491278	5438461	4230339	3950415	3620737	3991534	4185289	4023558	3870074	4065805	4154704	4060246	4399701	3027001	2886730	4916617	2912765	3121014	2855665	2909600	2976537	2859906	2772889	2867054	2814616	2661494	2802572	2572781	2804922	2849719	2932857	3015953	2974416	3003933	1494705	1488854	5115224	1425512	1474760	1432086	1404459	1403775	1431902	1481383	1460488	2925894	3171510	3568938	3339164	3110684	3075142	2925074	3210918	3454696	3233683	3294645	3196378	3079499	3320580	3056285	3202467	2989226	2925989	3043392	3076590	3079217	1568804	1508786	3533607	1577299	1545576	1635410	1618953	1620236	1618307	1649007	1571241	3601985	3348473	10190771	3362880	3483188	3483267	3463639	3751655	4097391	3283268	3056506	3264917	3131463	3119881	3263411	3187218	3139886	3573615	3350811	3267736	3450005	2124619	2269902	11090389	2440353	2290652	2086957	1994892	2231602	2040356	2238834	2216289	3118736		12862860		4314708					3060794	2740017		3968659		2890120				3409593								3744418			1853574			5763633	5759870	4852266	5670061	6041654	5889906	5500779	6021824	5984631	6149857	6157960	5752413	6107650	5939524	5972753	6117936	5814800	5864566	5794397	5812751	6281057	3258851	3189258	4727625	3483900	3290257	3466229	3416874	3349071	3269478	3419412	3360541	3869913	3603547	12235731	3366467	3412209	3120116	3802607	3914593	3724779	3223771	3379239	3300061	3321538	2911255	3448850	3242931	3285397	3100868	3392153	3577791	3192297	2314404	2191301	13377794	2118090	1973431	2203556	2386719	1943908	1832302	2246873	2056597
3-hydroxy-2-ethylpropionate	9627775	9289875	27969992	7602035	7687846	9283293	7571528	9189561	8989222	7508808	8084858	11714733	11800713	11778558	11799959	11806862	13473727	12146410	12288475	12695011	13217569	13717714	12763193	29226172	11435794	12070165	11427415	11402899	11777971	12264705	11806057	13026276	22715988	23016910	26941190	21840498	20396074	22158288	19426278	22036796	18331458	18661582	19163106	19831588	19608342	18661536	19891308	18344926	20972468	23437794	21953812	22055106	21642944	20972708	19404254	29534168	19874802	21666006	20003340	18904102	19088870	19182100	19055452	19155074	24444568	23245024	27774008	24718552	23195422	26860980	23518070	26730124	28366600	28641410	23719076	32397776	32990430	32721162	31838480	35011916	28474444	28810292	29534144	30137698	29342656	31388358	34048012	26804140	33762064	32927582	32919636	32080210	37365224	35843792	32486272	33828312	43633692	42395440	23393122	41967776	44074148	47848960	40589680	45731948	47417772	44510576	46130872	51876404	51258440	49714320	55492376	54559672	46956624	49104584	48752480	47855036	47657264	49322000	49510488	26657782	53419496	58676944	53685160	56551252	51052952	55567392	56552712	54287468	18232882	17923630	12283667	20128520	19027276	22110178	18907616	20821596	23009974	22968194	22522542	22575838	23665594	26077460	23171252	23571550	21521148	22333596	21390114	21884972	21830334	22268288	21954496	13023647	24143830	23513124	23379936	21822562	23038246	21162160	24030940	22975280	35275228	32426678	13850899	37642976	35825952	33371372	35018532	36799284	32593150	32938496	34166072	28873994	33933688	33053496	33732856	33879024	32718262	35661612	37136808	37044108	36855676	38833620	34481704	13158778	34002960	33524046	35126916	34054052	34903576	33953052	36969656	36039572	29192408	32955472	12762566	28465510	35562268	36072392	36058332	33889880	35013428	30420576	32537822	29426210	30688404	31332438	28000736	32641290	36234352	31131656	35905980	32338298	32520706	32415146	33761472	12714355	33031430	30260792	31709722	29102124	29910064	32745058	31377052	29943744	30405120	30313414	24167692	27364274	32075840	28614862	28091204	27496016	28061762	26189166	26927548	29096828	28282448	30239852	26740536	29414442	27859660	30300978	30209370	28679388	32502042	33222240	33661020	25229662	31844672	32962266	31151086	27896076	29720940	28591052	29886946	30439210	4943643	5474810	11327560	5661100	5080461	5137090	4950412	5733157	5903908	5607622	5631738	6089774	5272586	5629994	5722310	5752611	5210794	5317100	5401377	5466185	5207035	5491693	5404977	11981529	5974591	5942701	6084980	5556951	5787503	5887821	5723759	5906844	24268170	22222244	157751328	22313264	22135900	21024212	20183486	23541052	23541594	18250760	19499276	25440646	22985134	24003982	25697490	24658590	22383336	26087202	25632306	22753646	25632738	24690434	23637268	191680704	24904092	23479188	23006094	22299958	24429324	23599876	26945548	25144528	24051142	23128876	129230032	20829156	24293970	21121156	23569600	23503562	21495906	20554680	20957564	22154568	24921928	22489508	25096734	21870190	23046628	23570906	25751190	24861028	27414852	26375604	23666236	103112768	22878888	22861938	25543732	24207712	25201250	24237372	22881250	24848450	16733976	17419330	23069450	18174752	17632162	18180560	17479652	19812202	17298396	19028012	19284212	19501340	18998120	19366496	18297428	20516044	17120536	17989190	19295272	17997340	15817598	19534320	17525656	21987934	20733162	17052172	21453438	18078138	20188170	21117686	22251208	19613404	23017914	23107356	85534312	23246188	21847996	22565422	24323930	23628862	22317804	20527218	19823634	23943058	23752542	22469526	23351212	23409974	23608282	24666944	24695986	24814416	22626020	25191576	20906408	87856760	24551802	22796368	24171918	22725084	23685056	24094532	26174328	26642918
3-hydroxy-2-methylbutyrate	2427396	1875229	5554289	1416080	2170962	1699472	1330699	2104807	1806024		1841765	3410177	4275893	2664228	2678526	3337282	3411275	2778960	3379755	3879567	3172072	4692222	2875471	5726977	4243779	3177867	2814435	3200421	2761046	3535292	2775115	3868301	2931366	7424584	3657326	6427165			6942534	1806115	1956917	6409127	5827710		7086818	7927600	4276735	3970093	6642632		7030572	5852664	8794966		883195	4768606	4627585	6760117	7659009	7123328	6068166			4988643	5866886	4939588	6833560	5420263	6233355	5366332	5186626	6433398	6002257	5520488	5285779	8659429	9311428	8366993	8042296	9311368	8074204	9064169	7226211	7663488	7584873	9236307	8250867	5793007	10897988	9372792	9134514	9117340	8035604	10023232	9460281	8344458	985116		1635499			2381222	2086512	2483195			3268951	2585084		1683448		3453507								3807131	5639422				2555060	2413067	2656773	3929138	7836681	8655616	3242235	8322940	6326327	5857901	6997478	6306268	9066538	5203817	9118471	9947550	11388607	10614630	9171493	10421292	10240975	10751245	9267190	10640296	10608415	10527368	8091762	2915235	9214906	8706328	7186424	9909557	8973753	4768606	8533031	9954227	4013008	4285968	4998087	2409066	3340409					3953097		3367937	3245821	1403938	1954141								2814801	2533321		2559612	2721415	1797739	3344067		4530904	4000664		5816335	2446375		5001717	7952749		4555357	5080862		4024621	4268181	5348012	5768378	3903673	5340053				4239466	4485920	4674725	5747692	3192213	4994072	5456601	4109963	6147999	4626383	4361783	4833730	5542730	715987		1242754	982168			1113892	1368876	1292031	720408		1107121	795938	1671069	1099589	1323559	866690	1240449	1197422	1576931	1236571	1086873	1322466	1651617	1707115	1021894	872436	1679121	892929	966566	704666		1015863	1464190	2518893			1551098		2441112	1636263		2984101	1954401						1358805					1524445		1379104		2938566						3442443	3779560		5607609	5853982	4492679	4768606		2885653		3926323	5954281	6872909	3739609	6617344	4649982	4899316	7828785	5238161	4996435	4596887	4373450	4909516		4150828		3849599	5834106	5795481	4641799	4061452	7811014	4501341	3778457	11336437	3155072	3962312	3735825	3768840	4447140	4174178	3375767	3298763	4690905	5216481	4588001	5291714	4703611	5083155	4581618	5696126	5249909	5632122	5088405	5455036	11610810	4669907	4833602	4998467	4665766	5335132	5047235	4858563	5467382	5182778	5077988	3290073	5051688	4864045	5434437	5056703	5850261	4673168	5028326	4906702	5181901	5662208	6064070	5670349	5750961	5535880	6321097	6335572	5945538	5404051	5541431	5315055		5346118	4993747	5464345	5100879	5360641	5660138	6141408	5803758	4787277	3099267	9613468	5088728	3045735	5221136	3902418	6454407	3331037	4326898	3552702	4222374	4562552	4470771	6337748	4335675	4994939	6246363	4341752	5068459	4954193	4734243	3614742	8236492	6173847	2461418	5758770	3993659	6197196	6021349	5597800	4749935
3-hydroxy-3-methylglutarate	611385664	564252992	963155200	586768448	635100544	645980992	568017728	649238720	612766720	522032672	548143680	563707648	557101120	575969152	545256384	567664640	613237568	560097344	614429952	591356608	605515776	319300704	248619072	1151145216	246821632	216035264	213617296	260159744	208556624	294835648	238029472	295460640	809747072	780063296	948220608	772516032	781029952	782173120	736487296	784865600	774856960	736767424	745132160	717031488	755126656	738231168	753477888	728664064	769031040	772018624	789070208	741746368	774246784	234350128	251048816	995303616	232540272	248019808	263229536	233859216	229444656	245852208	222612176	244829632	653639616	711379520	996675008	685386944	739354688	679065792	680240512	789561408	783036864	782034816	784880320	783120640	758978944	746544960	717177984	835578816	695130752	684177344	722782976	682340544	809611008	321592576	325731520	947935744	325107744	337162240	337709504	335484160	341177280	335601312	334645408	333714240	1155671296	1132745856	905450752	1146703744	1218812160	1190341120	1227119616	1174219648	1259145984	1216698496	1179364864	1225054208	1189209344	1203684608	1252944000	1173650048	1121809664	1249309184	1267396736	1162622592	1156471168	572141888	568384512	970887680	568294208	562083200	577092928	563872128	561540736	553240128	541470272	555574784	769855360	797703808	511894688	798654400	750019456	804609344	726978112	741945216	804804736	786990976	837176448	795440832	882257536	804646400	793306112	841031936	834225344	819356416	798697344	806847552	807721984	586942464	554694720	571742208	497519840	465933952	465287008	501952864	585148096	450280224	470798240	520828128	682527296	677213056	564018624	709358464	690087040	727736960	720099072	723017728	700474816	703060160	681938944	660260864	704242816	711268608	700384704	683298112	674701568	692330048	730998400	703071616	683219520	345741920	361148544	524815200	343664256	368442688	348044640	356581216	351247200	366646560	329720960	361348288	799854912	817279040	521031264	798225728	808750464	803116352	791407488	761164864	779488704	740432128	780705792	749531264	785361152	769365504	754507840	773534720	780049536	748811392	793736960	799297600	803638464	771445504	781163328	496211552	722022208	703064960	768978496	757864640	768407360	742672128	759986048	736079168	680435840	728035456	660806720	696398144	739001664	717029120	644159936	726078400	628907136	677765376	655319680	643009344	628076608	657779648	632943232	686081984	711849664	672602880	686598848	751278848	695144832	237530736	257830544	672141696	263625552	242238240	245996560	270818528	232521904	252247056	235154608	226051392	285221888	325206560	515990720	302228640	304607776	305376224	287545568	319293216	321757952	311038016	318611232	323406784	309094720	310021984	290840960	309166976	275485632	283749568	306255328	307142144	283243296	212361088	254862928	536486368	183754608	195138768	199079472	212357072	242316384	219856800	196186768	219888560	722395200	701507520	1307199360	688686336	719550976	693751040	799736448	764064320	709899008	692371008	743823936	676872256	683674944	702936448	682842816	696558336	629196800	670307456	644296960	706429696	677796736	220554528	208565536	1323246720	169939456	194143456	225780336	210884160	194687856	193563536	175579600	230441600	314856576	1626032256	1636460288	1947723008	94801376	1555806336	1841641344	1602114688	446862176	213276656	1267482112	1731328256	399404928	385947552	115760912	1720925568	1119963136	916529728	241643488	551815168	1930198400	778340224	607704256	7712866816	836681344	472034176	554729728	697726720	649351552	489703712	615416448	668790976	987855168	888294592	716821760	889930432	1008718656	1018686464	861377792	902567680	1042749696	895753344	944462400	930700160	1026195456	1052695872	1040540608	925556160	970485184	963139328	1038102080	1002057280	856040704	600483712	565773440	804966848	534526016	593817472	600355776	535611616	577765056	533544160	614532672	522164864	701003648	722294592	2886596352	653539136	680748480	654894016	728740096	795541824	746597952	664686528	708378176	653334592	685769280	695477568	707909568	707425088	673038400	704281984	709902336	723475712	690394368	206474112	227705264	2813237248	209104880	242672400	235187536	198371568	202309920	222673936	189814304	173802288
3-hydroxybutyrate (BHBA)	840861	783171	3310614	437202	699394	727955	718796	891697	820891	744369	644691	1089652	1165704	1006162	971261	1029539	1211957	1091778	1309170	1362919	1652707	1181935	1096285	3789797	910981	970718	1072970	1001230	1069352	1061446	1249869	1208899	4311811	4716505	3169311	3353769	3775447	4518110	3349427	4783896	4373059	3147504	3673507	4434892	4463628	3979150	3608584	3422541	4475081	3989904	4502610	3927780	4654222	3811539	3451652	3510261	3507709	3642971	3670891	4335492	3369759	3731378	4294417	4445824	9911730	9225782	3237041	8939909	9744802	10417968	9045969	10550725	11638240	11850451	8699520	15911030	15717566	15932007	15866663	16084008	13515682	14867747	13704566	14898508	14277803	15397558	16043716	3181077	17332662	16439954	17318010	16203800	18091466	18331260	17670144	17904048	2572312	2683159	2577737	2341431	2573575	3183352	3704963	3519330	3056824	2829626	3530343	3185107	3553821	3058498	3968149	5277808	3191676	4654179	3694521	2934311	3270594	3912575	3289611	3012624	5103032	4882986	3282507	5734150	4552686	4398607	4237189	3804905	3542912	3432032	2275370	3522879	3340128	3574517	3502030	3466989	3554980	3684174	3761419	4040803	4392440	4482001	4237387	4048452	3828446	4017633	3769654	3664777	4075454	3860064	3762072	2416951	4273085	4141554	4260644	4198162	4747051	4385102	4441920	4451776	10941082	10118992	2363474	9374408	10697261	9727888	10604099	10855126	8309874	9375825	8577341	9585747	8772619	10378256	8539938	8610619	9113312	9334223	9326582	10934624	9440869	10085639	9829126	2589193	9885861	9816522	11395439	9513644	10605977	9045484	9689888	11284417	3629866	3530583	2224803	3987844	4222748	3547317	3504763	3593867	4527867	3252817	4032228	3717687	3504263	3391296	3510195	3494296	3662675	3431827	3581938	3687368	3727243	3631610	4818756	2415162	3684888	3837154	3880136	3260963	3421889	3422151	3680725	3679622	4186499	3587651	8898081	3658306	3716121	4730130	4073132	3677881	3477627	2657713	3511903	3805074	3883722	4309507	4763615	3580121	3922906	3975846	4753540	3950922	4423708	4331349	3664838	9364009	4239642	3982830	3752084	3685603	4261003	4185248	4014792	3666517	418259	417095	2503994	384684	405756	391974	463675	413753	557165	802338	681086	394339	404990	462348	478178	522993	464605	493577	435992	406559	433596	497057	453620	2260409	423333	419461	795531	384206	591471	421917	776345	644261	2054200	2260876	20199068	4888239	3561040	2603698	4049772	3043812	1976567	2739522	3155553	4400606	4625109	2859197	3802329	3603801	3471623	3755847	3740279	3806213	3804063	2983593	4165831	22030178	3226175	4328291	3925847	3440740	4643619	3604120	4012160	3447884	3473309	3092137	20228472	2533804	3918876	2972379	3421169	4732308	3670590	2665325	2787247	4291252	3363258	3428067	4472412	3623477	3673808	3080679	4055417	4009781	4415705	3808534	3182455	20030780	4381359	3323885	3702653	3700151	4047715	3988061	3444367	3565834	2308072	1905969	8946675	1876643	2255040	2008327	2378906	2205482	2009422	2171786	2908534	3900848	2066769	2560588	2181992	2871906	3220839	3110850	2786596	3270428	1768979	2638025	2205664	8025427	4874878	4097543	3725215	2441869	2784339	3004531	3941567	4203842	3988068		26298538	2399313	4394025	3801508	3953146	3820510	3149219	2217177	5185418	3978565	3628266	2824014	4392206	3330352	3006473	4940932	4367691	2947431	4420467	4991819	2881180	24797062	2651780	3672199	3739643	3050802	2612304	1982297	3565557	1864888
3-hydroxyisobutyrate	17596262	15806170	45178900	12936920	14015222	16204061	12453762	15781811	14823881	11352134	14524077	20387340	20304822	20374432	21721488	19621252	22613180	22418956	21441122	21055650	22102700	24605580	22847584	45189692	19286492	20250342	19953888	19454064	20098590	21814146	20725820	22177768	39110468	43273328	40731248	35918384	40048340	40690988	37105816	42484940	38597916	35551616	36981668	37688988	40892048	34227980	36319596	35236180	39594460	41382388	40024216	39170764	41213936	39402040	34865936	44378000	36860068	38116092	38001000	36538192	35673556	34989208	37876860	36004124	30557720	30340362	41321400	30381800	31462398	33713080	28218208	34324824	36104108	36887904	30484932	44089124	45002352	45319904	44662172	44543044	37572852	42043836	39097100	41815960	37851936	42123832	43303860	42670640	47728004	44397664	47903368	44426940	48769332	49421084	48000184	48381996	90103312	90905416	31921552	88817040	89457048	84271432	87393280	99654952	104656136	96906472	97234296	101573136	107936064	108725232	107332176	123039936	96336032	105214824	103701856	98468384	100833496	103275832	102924192	42293760	109961120	109613960	107928112	113795640	112232208	117568056	111332392	116008936	37382296	39261088	18130806	37157300	38220228	37963220	36459148	38997704	43320156	41975320	42627112	44044292	47143552	45935536	48721004	46083996	40796272	42199232	40958616	40331944	40797984	43891332	38001124	18564582	45413440	45079660	45557400	42542288	46908436	45206156	47637416	45907140	42295296	42210864	19624480	43891088	41975320	44252408	42048516	45467720	39753344	41411116	38838720	38721060	40352068	43066844	39311712	38835320	40814884	43398040	43022872	44990468	42287748	44632144	44581412	18716782	43456484	41871972	44522440	42164972	43868932	40120964	43403632	43366596	39446016	38447404	17040922	40814756	43183012	40324440	40377472	39890164	38918724	34578532	38974852	39966752	38438824	37742148	38804384	39415016	39933280	41209740	38655664	41022168	39078592	40419360	42143572	18170866	37701196	40069360	38713128	36599584	37560416	35179348	40319388	39237084	33557556	33362680	41420488	30986466	33262172	30311732	30768816	32744054	31227100	28442962	29937744	33935308	32585724	35655944	33659212	30976336	34179200	34776028	36376824	35566864	37123644	37159040	36782372	43639944	33516366	34794192	34652264	31505314	32962588	32730820	33268186	33464484	7491085	8578213	16666525	8522398	8009449	7794219	8378455	8507475	9106687	9004332	8380767	9008437	8515677	9211056	8267976	9663078	8250238	7855956	8271561	8377995	8267485	8511622	8180739	16897424	9169835	9329863	9139364	8882328	9124889	9498330	9493228	9269799	29262496	30090708	153832720	35124644	32307910	34404244	33046418	36256688	27151992	28056598	34777976	41084956	42401060	38333528	42279328	40849020	36050044	41533652	38314068	43487992	38661984	39933652	39559428	162297456	40784464	40233920	39607608	37486236	39013372	41543360	40825024	41473056	38581132	36316768	224237024	32211184	42910036	37824904	35111740	36025004	36813148	34191360	33545052	37597860	41509844	38052748	41506904	40070464	41228220	36857280	42155552	44504716	45250380	43559516	38724552	237646672	39473456	40650052	38859504	40344800	38822456	42848100	39099344	44383000	41554760	39991204	39328412	41688276	45057256	42729712	39244380	46704300	45119432	43298924	42648600	47363252	48376888	48920924	47745336	49203988	43807388	45008968	45426232	43872000	39907504	43697908	43799268	38569408	47208144	47829340	48716176	47043180	46903332	48366704	50764212	50583016	37338220	37279668	181583072	37902260	44554908	41736884	44792612	41528276	38757916	38035860	39889224	37449864	40225668	43914096	39605800	37607580	36646064	42882492	42427132	37030276	37065552	36674080	38967000	181106144	40267220	38069224	39709976	37421428	39720728	38777764	38106892	44355388
3-hydroxyphenylacetate	46352168	48840464	110683376	57861292	44090644	56893216	31529306	55289804	24506684	53647088	45214368	37092468	28389506	45949348	29065898	24248280	28183038	46776076	36758728	22367258	26194788	52202156	57678716	171661280	43392320	42633576	38798332	52816620	57553980	25578820	49830956	49576672	54104360	56212536	177280720	51010208	36455680	54890040	46115564	60936648	56444156	46628944	26672950	31843876	52477876	45323512	28094712	47930836	55930076	50744036	23284136	24230888	24322214	57584828	45338292	185351440	54149872	57743400	53499264	32909046	54298436	34547532	47814400	55227160	54076856	99099584	145656976	94652408	95485520	101076104	53176808	111359800	86735384	93275536	44774592	48255600	96226504	114404656	67848496	52132520	53971896	65439080	64057772	110809528	48174216	51119864	118368952	66726436	129281096	117318368	120747784	70080984	112339808	123408200	126423840	110706088	175417664	194705488	95800840	265502800	208049808	213489056	146501296	274938944	213310000	213270672	189170736	183328272	164671600	166976304	173004304	199163904	266855664	224545824	181551968	199314656	260484144	213321328	257374896	144030464	165225968	177101696	216184016	172273360	296899488	184664144	190029184	189716352	50113048	38927556	55874372	39512948	39676780	32391930	46403416	43655148	54518592	50751468	37405240	49514280	37364376	48167632	51894872	35639372	36723008	36497532	35348016	37766244	37409288	39644948	41567432	43727248	58631180	47653904	59261372	58148708	62890488	43082756	40766220	61287656	61456376	84225816	53025228	64770992	60377072	79202056	71597728	85928216	64959712	82098368	86784360	82225016	62415812	85904336	71685120	57987884	82090976	65921288	73868440	90384824	86197832	63961980	72333592	41292564	73343856	88754648	59477112	82046264	88808888	63677608	62543012	65250768	71499488	109841936	55655144	65767652	73153928	64323120	65738596	68659384	69669952	57275664	92966368	74784016	101744120	109972600	68490704	107422448	67685192	69370080	76557776	109878328	100184480	102930872	107406032	48761472	67543904	68827344	91865656	90325968	100403000	100456056	91931456	72256432	11857408	16130715	46912852	21898860	16215126	15411649	13993227	13520145	19425350	16148727	12013839	21108740	19299630	13157448	18392394	13886299	12665180	12688324	15126235	13161426	22561124	15976543	16948006	68350696	15803119	17338190	13694319	13903961	14363605	18528642	12429015	17748838	40669088	46183728	37039664	42989152	41370088	33315648	37672736	55175372	47753048	55023552	47168744	41954240	35780068	52323512	42497708	54154412	46839800	44215972	33461266	29436438	45197412	43517252	43845800	41753008	40068460	46060984	36091224	34157024	47461916	36981712	45839904	56075516	42907148	59695368	81660584	58633908	56890472	50319572	46241912	47018256	62888440	59137248	37484132	66948728	53539440	46786160	60400624	61149068	51652608	61498620	68801592	44975324	48461192	63929676	54425428	160056288	78120704	56427060	52524872	56580868	58373072	40974120	78039912	64292052	48077880	60731624	277198176	68142128	50671940	63556416	63640244	68075240	61070672	56064984	56752696	55165304	44283016	50607464	45016268	42611664	63310308	60670996	54037792	46138808	62016328	39364508	59150104	242475728	56699316	56377264	65699416	58510848	67907040	52752400	58551484	47230148	133573248	175970512	70189432	205538832	117027024	110879440	136685632	137887520	128147408	201394704	219378336	214516352	146745984	116194200	117359432	134277744	155931344	153147936	141638384	144992464	123934000	213567952	139819248	38496476	143570064	157113376	234565248	147954944	164894960	234273680	246356240	119221904	61775532	56026580	548017792	54051228	63372504	55189672	57959364	60152724	57304180	40358428	45836116	48042696	64605544	58402976	42012272	62619848	56278780	48055560	50662620	64423736	67935528	68451440	58240504	565214272	67037424	63003064	41745056	50033768	56279064	47071104	51917752	69237184
3-hydroxypropanoate	1192553	1451184	4447923	838059		1520833	1749675	2030319	1508623	1801603	1824326	1991367	2203312	2592062	6291954	2304692	2556277	1905730	2800776	1910684	2373291	1453769		4336576	1903305	1543124	1654771	1753664	3251297	1711291	2356359	1860671	3537594	3903876	4582258	4796228	4472963	4274353	7655901	4446172	4276440	8346940	3661335	4398182	4579259	3592999	3623530	3476550	4309813	5231504	4481765	4294489	4253389	3589517	10066440	4122504	3803943	4062628	3651941	3636386	3519741	3907755	7775837	3774770	2543244	1890045	4294632	3974193	5206289	3872405	2164631	6147369	1531918	2027914	1868688	7494421	2146103	2487543	2769750	2707520	2320507	4103318	2739108	6456988	7223326	2300772	2742346	4101506	2525408	2102191	2220374	2304686	3075837	4562086	2163094	2298808	10963186	10891956	3648899	10680048	10577050	10454901	9508353	10953630	11912290	11289390	11458792	12755949	12082150	17628152	12582507	11921539	11118470	19649924	12352421	10702205	11259064	11911753	12271641	4816641	12615519	11956531	12784970	18202010	11904647	11283696	12525198	12061131	5511801	4690863	2003660	7865807	3615282	4611310	4397946	4070079	5116448	4786723	7391407	7777936	5338643	4756738	4707483	5265638	4809329	6081581	5329493	4746278	5070096	5621724	7317614	2149667	5208916	4255770	4013313	4459979	4551751	5415261	5398462	5150106	5682744	5797346	2414576	6053829	5613212	6090478	6450154	5420317	9386697	5941006	5770014	5240458	5756385	6372125	5450290	8566018	5534382	5880094	6626938	5998429	6129050	6105947	5461000	1862917	6465040	6223755	6081451	5864179	6586433	5412563	6192329	6646800	2817265	2009308	2051307	4260583	2075519	1815802	2866715	2566845	5018500	2610338	1557321	4663633	1864823	1556179	5285452	1852407	2041692	2166568	2304270	2730920	3868635	2150873	2051770	3040575	4471599	1770250	1550812	1777385	1593180	2151222	1810053	2112645	2640126	4040075	6345528	4241800	4287505	3630208	2769086	3729709	2915311	3360459	3342019	4936942	3326544	4291690	3693483	4163078	4036257	7754159	3927868	6802740	3150486	2705419	3159594	6272834	4223840	2936529	3615103	3392591	2987387	2556245	3386764	3607238	1795684	1972520	2194385	2469347	1860939	2279774	1758055	2667707	2320507	2149741	2120149	2393223	2908623	2578126	1795837	2458409	1806950	2039809	1972031	2793396	2458327	2007354	1924748	2020131	1815917	1900518	3628784	1748047	2289546	2604907	2042365	1955768	2753761	3418720	7440400	3163199	2796109	7990922	3172988	4409093	3414515	3377036	2982278	8307031	3591065	4129324	3732303	4414403	3526546	11022634	6079410	3767786	8445875	4240651	8505722	9989972	4313928	3930547	3803525	3874754	3947805	6229988	4783919	3934143	3888910		26114056	2106304	3940974	2931719	3255213	3523078	4671420	3731219	3219003	4571059	6074939	5374186	5241766	4850760	4893777	3738133	5864001	4550453	4587462	4758496	3444143	22960204	4741448	5432296	3308242	3474675	3444754	3568364	2981097	3569984	3399848	3908164	9426309	3292838	5382094	8121208	3671531	3869778	4656115	4160777	3685828	4261558	3828765	3853712	4292780	4393961	4277864	4396129	3683167	4220844	6470001	3434278	7512982	5676488	4046336	3724804	3954080	4415161	4152295	3881551	4251539	4417053		3310979	21870768					3236219		1715224		5440774	2807764	3093387	4743337	5195061	4832385	4211578	2680717	3919279	2956629	3168420		27428206	4314296	4026121		4876697			2258098	3940974
3-hydroxysebacate	7476464	7044008	17393868	7373059	8136788	8043437	7567248	8414483	7438366	7015178	7215752	7147051	7276742	7579423	7126937	7047462	7846500	7150379	7710427	7084460	7518350	5631945	6284906	19244552	5202565	6379245	6994739	5425273	6693257	5244265	5706035	5178789	14347300	15327365	16757387	13951408	14444665	14670381	13562604	15400960	13909765	13758886	13898862	13521125	13156427	12922934	13198930	13288787	14345556	14362623	14104796	13839701	13842386	12644792	12633548	16684542	12473839	13267058	12593486	12469103	12271218	12119743	13264073	12237087	16904324	15833712	15523513	17605002	17375836	18103546	16963080	16865076	17369700	17600428	17695176	17343980	16891736	16924092	18494008	17897550	17408638	17213814	16345026	17565566	16594450	16191271	16373920	15907692	17443388	18053798	17575646	17232512	18173888	18277096	17607374	17548080	5817431	5459928	16142898	5669003	5963023	6073252	5248190	5912061	6176017	6418736	6046941	6124444	5666018	6082187	6108474	6176449	5574423	5814230	5950659	6180472	5636358	5357082	5466315	16041044	5278374	5557261	5715168	5611916	5288565	5398117	5771749	5760607	1720931	1645537	8133982	1801391	1798533	1897856	1897689	1829520	1968106	1930946	1964515	1857831	1945466	1908118	1795061	1859267	1769488	1772697	1672654	1828164	1798517	1736587	1644732	8507657	1686791	1643920	1766448	1702394	1802956	1639526	1836674	1904903	29082688	28069606	8767755	29811616	29458938	31554234	29323644	30155990	27753024	28381366	28371286	27104156	28978910	28846278	28535592	28542972	27671496	29560292	31018412	29113002	28608212	29938954	26969252	8701859	29127608	27134990	28573094	27915374	26764282	26741802	28705000	27667292	33577168	32116322	8855372	33930012	34274940	34559056	33023564	32847670	32155104	29920470	31851880	33184182	31117306	30900736	32263738	29844424	32867478	33164974	33838576	31531882	30960348	29334604	30045150	9064457	30048018	30926408	27691310	27697364	27524362	27825082	28374706	31171012	6016460	5850255	33648844	6020169	6067297	5489909	6116437	5765897	5886951	5362028	5845663	5467856	5737416	5778534	5659701	5747319	5990470	6073216	6097401	6191019	6169236	7037537	7491862	34421636	6912972	7637421	7347147	6665965	6674674	6720281	7512970	6719051	10451541	11350640	7892642	10973280	10691255	10658478	10621247	11529335	11417028	11343256	11664889	11319660	10686366	11540668	10724567	11271739	10284830	11037350	10688836	10980785	10348772	11356651	10820442	8614573	12526325	12606454	12102879	11165762	12557683	12416616	12700409	12406087	12318854	12948594	85267760	13016294	12469251	12369299	12568597	12473691	12302552	10839521	10723008	11955702	11131563	10866045	11974584	11698213	12285613	12413425	12287525	10809077	11572616	13085025	15195145	85947904	12880764	12802878	14965891	12807540	13193219	13515374	13469399	13441469	13739086	12793123	30836186	12573241	14310212	12963299	13670804	13013649	12778573	12523698	12019049	11856360	12423823	11525313	12519119	11595996	11769120	11813072	12732828	13233410	13346925	7757156	13095068	30515942	7738742	6489965	5779644	9798208	7570391	6503483	11641769	10314692	13042866	12350408	34463476	12636710	12508798	13770372	12434146	13854049	14321526	13688770	13589075	13778698	14186311	14845331	14838103	13545437	13449950	14172420	14331090	13468076	12897174	15995597	15418811	32215558	17423588	18486262	18028672	17301194	17117700	17357294	19365822	18195960	12378909	12394107	38932440	11660727	12171711	12309188	12844935	13162419	12416057	11776467	12205713	11840514	12045308	12063464	11740696	12272801	11848056	12274544	12459482	12483461	12888411	13678430	14272064	38404520	15027960	13775986	12717048	14794819	15102028	13570650	13329866	15239409
3-methyl-2-oxobutyrate	1734825	1567239	2814620	2225390	1633540	1638047	1451885	1625257	1671441	2077175	2057808	2845038	2502922	2190106	2261641	3022081	2339022	3272998	3700344	2265589	2500133	2014482	2126510	2757765	1696944	1768923	2791109	2460763	2698113	1815471	2766604	1976086	4175534	3605164	3485230	3543817	4272774	3053238	3682382	4277559	4516716	4174274	4270249	4077906	4112022	4335282	3156579	3860222	3988341	2934760	3013754	4737764	4222165	3254815	2837882	3669761	3115801	3934510	4299278	2475516	3880004	3970110	2838422	2838575	1811848	1768491	2995682	2496099	1812629	1838167	1576949	1885123	1795795	1734857	2150049	2426278	2602667	2419408	2179902	2344864	1673941	2057750	2042844	1826795	2202313	2305535	2098971	2971045	1929214	2003270	1888289	1918151	2421171	2495284	1883442	2069977	6715196	6182698	3023249	5743145	6640460	6531214	6087447	5815117	5969668	6672807	6741116	5987938	7013322	6714315	6763811	8389422	6421737	6124268	5560872	5909744	6350187	6972092	6314312	3159836	6873253	7330273	6417559	7089160	6517237	6617087	6602196	6593996	2674181	2657761	1988334	2526504	2836518	2707237	2484406	2222194	2498720	2648944	2898692	3082246	3144941	3257410	3204735	3265890	2739332	2756740	2528509	2789033	2755730	2902993	2653896	1869710	2988863	2747574	2839623	2530870	2595710	2455692	3237089	2618345	7511642	7437198	1787960	7817517	7267000	7231843	6683318	7459862	6316941	7357007	6831789	6711706	6916287	6985165	6588358	6757803	7397440	7581117	6756005	7374112	7947488	6162769	7064695	2478672	6439136	6480850	5317312	6417017	6299772	6449700	7214435	6396815	2725036	3762456	1866853	3301479	3494127	3116114	3325333	3025609	3040021	2760043	3450495	2925487	3099743	3524055	3146854	3592291	3286737	3341854	3249176	3927819	3824519	3892518	4212526	2198184	3255864	2980318	3588545	3414423	3022993	3454609	3422578	3414071	3650480	2957851	3755224	3089665	3388274	3183224	3605967	3404708	2872561	2593362	2965109	3456042	3465340	3821851	3630458	3350527	3409741	3503501	3663312	3514184	4275166	3765483	3972988	4181714	3026303	2921932	2947955	4108235	3696620	3498017	3267026	3145705	829557	990073	1824815	834191	748624	862637	754195	892334	954237	937423	835185	973842	986951	1226192	933364	1041463	842772	759945	849605	1076668	865464	906811	1093610	1640022	1194650	950928	1211004	1139400	1017972	1058305	1076925	949025		2492821	10853202		3027958	1947529				644996	2570485	5442222	1886334		2619839	1704880			2946049		2798962	3501726	3655049	11085353	3134743	4196456	2952903	5651525	2712598	4112637	7367575	2802474	1564105		18409130		2358514	7065780	2254029	2555517		2137296	2406915	3873342	2783693	2612221	2412725	3083964	2595855	2913399	3948451	2992407	3405980	2503066	4390751	16256481	7430999	3853818	7393667	5192708	2751635	2446400	3652766		1903282	1969580	3345664	1944635	1754456	2117225	2146799	2403508	2595585	2060263	2625496	2850768	2009817	2339239	2703968	3132108	1709708	1697867	2047835	2199827	1820700	2784982	2556113	3695037	2181256	2130644	3258772	2369958	2807781	2588777	2486854	2188803	2543868	2213583	20491162	1994995	2044067	2321239	4500102	2553233	2606062	2365461	2241872	2875396	3016174	2920164	2952903		1881155	2406422	2903598	2330296	3368577	3971861	4281549	19809724	5217646	6071964	5245520	4863524	4939979	4885992	4160983	4315253
3-methyladipate	13653511	12901284	30254258	13289713	13622023	14630480	12489332	13980647	11824627	11896083	11668420	10663889	10294777	12564972	12683294	11316826	11586118	10840917	12887689	13376213	11636081	7539389	8341623	36859032	7087922	6009830	6151789	7541624	6873950	7025126	7301192	8202167	26373418	29417132	28636498	26329810	27996916	28270906	26657932	28915824	26163268	25023384	26843040	26669894	23642432	23061224	27323462	22638950	26401212	28022574	28038536	28057832	25230228	16151781	16730702	32866996	17942518	16587250	15362857	15402740	15639727	18041974	16704193	16093480	46172168	39761336	27048804	49451536	40649656	49963628	46897968	33936024	35317204	46675704	36533500	42930484	35222084	37683640	52664740	45284112	41692012	42627596	31871010	43043888	34429844	29665328	23100896	31125156	36809308	31712812	35646368	36683424	39606340	38787960	29247790	36855652	51425376	50779140	25383342	45395996	66077660	66348480	49424652	51200096	72182096	69999848	47030136	65180896	49978176	70101336	67282880	57126436	49258928	65913280	64744852	65315760	50414920	57976144	42182372	40178036	48598916	59053060	61085996	61150516	44427412	43316064	61618264	43773484	27358258	33312412	19779578	34636584	27068636	34561232	26507800	28610164	30588308	29930610	37059188	29317434	37254000	29669814	29231520	37323352	34019668	34904876	34634436	34860708	34119284	31032626	23637152	17329686	25400714	31388570	25927424	24971574	25704966	32070742	31813712	26775206	27557634	22752230	20562844	29347486	37359948	39352180	36914644	24577858	35195848	22974672	23902430	24550112	36689780	26355176	34901076	33992492	25471728	36574472	38989468	27935982	27555118	36999084	25637162	18740488	35480972	25353780	36079596	26325156	24870130	33903012	34132808	33913704	37964216	41117068	17850016	39754188	38958396	38034504	38019728	36380232	36448012	32158990	39452000	36708436	39406740	38557684	38049260	39383412	38670780	55408656	55073968	42332396	39083052	37722640	38985288	16835238	32996884	35162348	36316656	33977108	35286792	35572168	38108040	36399304	13107324	19060350	58116964	13266969	12100588	10944007	13476325	11688818	12605599	11332234	13085849	12860135	12082363	12261753	12448591	11322235	11919179	12534176	13560451	12346543	12881694	10204987	11228104	56759908	10612764	10065697	10714640	11013348	10059457	11606767	10656924	10602754	11055137	11056065	14985633	12134997	10666393	10561233	10593270	12126597	12162096	12113154	12167756	11149238	10418529	12227464	11781435	12165359	11333257	11138638	10379503	10491397	10937763	10161668	11024700	16206347	10694955	10819466	10602793	10404065	11332670	10345929	10247778	10858734	26364522	35654964	97669568	34397596	32180124	35318264	28597724	35375380	29279698	30890216	32605894	29146998	25116274	27042950	29344486	33832528	27039224	28606906	28066012	30488644	36252604	33425978	26249332	114380296	23062628	31076628	26183660	27413414	31957886	22808528	29320434	21811950	31635992	33725956	202649952	30973420	33807924	28057610	32716642	34593940	27946290	29429850	31148952	28641016	29402688	29262232	30787878	31147836	29610906	28216446	32302012	28536984	31801468	19244284	15398203	182412912	17454444	14684605	18586576	15774751	16239671	17682106	15513240	14765035	32479768	35264236	55732684	34504928	32584236	33109740	35488108	38953032	31857980	36879460	37785924	38148196	32696844	31017870	29681386	38353332	29993858	30172752	30931212	29647580	26039276	34154404	33235268	46306880	36125988	29472960	36363804	31829804	35383124	35957924	37540384	29191960	28431670	30698488	164617520	24493982	29176610	30444268	35050760	27331374	29572666	28418398	23899704	28151888	29916926	31421508	30010690	28982066	31359032	29695012	32453986	32034102	31071776	29010472	28268772	161543936	28929550	28372354	22459310	29584138	29488308	25947998	26849000	27014320
3-methylglutaconate	30579104	27543812	64963036	28558208	32525486	32566266	30328044	33793544	29569540	27091330	29383310	28608070	27234934	28971448	27335228	27427346	31995200	28349794	30921600	27711092	30996392	14041260	12514047	74883776	11837240	10782517	11326746	11953026	11158023	12357739	11716471	13615573	29543818	31578870	59136516	29483048	31500708	31591032	27860562	32268862	29913122	29747244	30192694	28538258	28922984	27181334	27306814	26599622	29577884	30782624	28484874	29391520	29928118	26445942	23406744	60603120	24485314	19773898	23406900	16564216	29665690	29642840	27409090	27132552	37942196	37589532	58635112	40289432	39812168	41110184	39113228	37432060	39355048	39714128	39885244	40614948	41321060	40482448	41366584	42449636	37381932	38616680	37331700	40536340	39131668	31108660	28782674	54134452	25169388	21173862	21667772	28711380	30530564	26182894	18789426	24512074	85984632	81090392	55317560	85428376	83608768	86127400	85134144	85759848	91931096	90222200	90044312	88315520	89910056	91816736	88039608	91782936	82176408	87425720	88961424	88771216	85111960	108611872	105171280	59178440	113461808	113820192	114892840	114326080	114546600	114645296	119634272	110181720	20436682	22271226	30702012	23268168	22045158	23073800	22035450	21012466	23109896	23968804	24337770	22395994	23365772	23303510	23081138	23349292	21389008	22097212	22233824	21896814	22519328	29455248	24793754	32774016	28344128	29351436	28306928	27574000	29025234	29379852	30762642	29744860	63647252	59699356	34115384	61588832	64030552	66549612	64703892	61189204	58493512	59352308	59467108	56947416	60690832	58673644	61542532	63029040	61416108	67113472	67379848	63488728	63773272	84834952	75062424	32014636	81509968	72013520	80069720	72901408	72642672	75524560	79019184	77410536	77181840	78587704	32343738	81227784	82560272	79850744	76201352	78448640	78193680	72879792	74260144	78291872	75937576	73201152	78283224	74294208	76673624	78467648	80716392	80474608	75976216	84844320	88964960	31155270	89126848	92300344	83564792	82461616	85135112	84876264	85372200	92677080	18141540	18237288	32831730	18125996	17058676	17110208	17738454	17714696	16557284	15998496	17002144	16859624	15917336	17688100	17009252	16093846	16346076	17087578	17760472	17931894	19127718	20446424	21202144	32990742	19878446	19517376	19836224	19313096	18721718	18746572	18710324	19265512	15095340	16388399	30514590	16148453	15817430	15268597	14449126	16555609	15683778	15818277	15871689	16469065	15487808	15879272	14787613	16035728	14205047	14983058	15272201	15607440	14635171	19960146	19011220	30711806	21891680	21858406	22270626	21148602	21776040	22822352	22528324	20710080	29317202	32398504	112233368	32066904	30551332	31027428	31976666	30857858	31045852	33023280	27534276	31327602	28375784	28023492	32023588	29809134	28531998	30277962	30983414	29618768	30224208	35177348	35281724	122607952	32615034	31342928	33215726	32039588	33779892	31826976	33967808	33161912	33408558	37060904	128070888	37582432	31198728	34212016	37990396	37325952	30111386	29800134	34128804	35173340	27727448	29651170	31718580	31776168	33048994	32158422	33912344	31451324	36933756	14339894	11601786	141006368	12541691	12273327	12757969	14378471	14651953	13583242	13266581	13378981	31721468	32810042	35167056	33645500	32572178	33577148	32882884	35201536	34632960	32976102	35188396	35861888	34158880	36991240	35395304	34821096	31448440	32254522	33495228	32759418	26588820	37290324	37967512	32467366	39885400	43228440	40716072	37553616	37647092	40130260	41020788	39345768	30827734	29746106	94602256	29611084	29058496	28433864	31799290	33629604	31972110	29175014	30466790	28258634	28895458	31488996	29936762	29702970	29384798	29529288	31272852	31680908	29809364	39345708	38892504	92542520	42401996	42780736	37355516	39564620	40960500	40636156	37303080	41638760
3-methylglutarate/2-methylglutarate	11934898	11115861	19868216	11678971	12576901	13677384	12322098	13603953	12622666	11145950	10941279	17246846	16733340	17986710	16738874	15976597	19490472	16903484	18583396	16152987	16420898	5994800	5245185	23050668	5103321	5451577	5408399	5364519	5087391	6225972	4555093	5217887	20315202	18793024	28485718	19960612	19553302	19714004	20899410	20090800	19684814	18736410	21426540	23658424	26992696	26589880	27229340	27760600	25345332	24885154	27004082	27545024	28865366	10083084	8700267	28446320	9857562	9669884	10030572	8506081	9660942	9944898	9341318	9809938	21269848	25036598	26253070	22760004	25680086	21412112	22696038	26284290	28102710	26702096	27901428	32023488	30248112	32108948	28354472	33822692	23921734	27714522	27573500	26449672	31833620	14432650	14335960	25689244	15107211	13813438	13646684	14776829	15565635	15773437	14123262	14907549	34858236	33200830	28178420	34721688	30655148	31978238	34123804	33789744	33481158	32247400	36249444	35314892	39142976	36477192	36351228	39962580	37999984	36714132	35937508	34624264	37681552	23804242	25440828	26216286	26494732	24474634	25334516	25366742	26327988	26911704	25750934	26798316	11592363	11629948	24389140	11653557	12404808	11626862	11574578	11076820	12377477	12652319	12598063	15819006	14780749	15928437	15871911	15029169	14191489	14693724	15103975	14521303	14939465	9554843	9418929	22466332	9171861	8754690	9285890	9203443	10277408	9166849	9088018	9881904	44906484	43450580	23378532	43172312	39207440	41401540	39046700	44982604	38073056	43400296	43047268	43956288	39568372	45865076	40505688	39011476	45893868	40911788	42372028	47108976	47142468	34682776	36197252	24784748	34485584	35910884	34968096	35137248	35463552	33567872	33435512	34541704	73543808	91481536	22780174	69810424	70970648	75648424	68895208	70206464	69543576	62275740	83419360	73048096	91245072	63162280	71163712	83001848	70684304	74149288	77102816	83358664	61309160	73926776	71075248	22675868	67040984	69692408	63259076	57163832	75391688	95105520	68026288	69884896	15995806	16253813	45805724	16738739	16823450	15963196	15937176	15851925	15162324	15515097	15611419	28736082	29362382	29123524	28385212	25458560	29388936	29135614	30577284	30531376	31991620	13170208	13561799	45410816	13081355	13294201	12525886	11960598	11890736	12852525	12493837	13093729	10746725	10989931	21021642	11035946	10503001	10342376	9965839	10949234	10976631	11079316	11073430	15940310	15110599	15365195	15880832	16133046	15648092	15471711	15253338	15189628	15029250	7379101	9041950	20805522	7245780	7351846	7642414	8017571	9104244	8120343	6947653	8371215	22912516	23693620	55588556	21822442	20853216	22543526	27266316	22027046	23347886	22066712	21675964	45308540	45304804	45078564	46377348	43599204	41041316	46300200	43758632	45197472	42906536	14024362	13637589	59113836	13503023	12858665	12113731	12805726	12495496	13363789	13719557	13224980	26458844	21365598	157129648	23903812	7851528	20608312	23278738	24288638	21412294	9124861	21061698	46799340	32139816	56637576	56299572	49485096	50119416	53089104	67830464	60779976	52725972	19684900	12369164	79635512	10991606	19033156	22177302	13309230	14067770	20658892	12074446	10700239	22711482	21461314	46050220	22315180	22744558	23385852	22423370	23239162	24814924	23545162	23643060	30210358	31407730	31783864	30810380	31338692	30172912	28806220	31049432	30819058	26872326	20606984	21523298	46726448	21416998	22866434	23339264	21411390	22362814	22320076	21217580	22191500	23320840	22587454	48893944	22868586	20711414	21325988	24653046	24692420	22239130	21134548	22416966	39843876	42301108	39676532	42752600	43125236	41332140	42442820	42265284	44927800	41753192	13648837	12241101	47584856	12976984	11806505	12208390	12314956	11962283	10390050	11673742	11961009
3-sialyllactose	4204893	5222381	7658839	3760046	2719670	3126141	2909113	2487694	2811781	3594578	5135139	2834420	3292097	2018567	3632263	4201876	2114606	5312210	2346644	5376129	4836082	1418704	2772192	3351007	2689136	3975275	4362797	1800182	2930708	1278336	3388063	1980595	2571454	2831787	4636913	2773191	2819696	2778300	2386034	2952111	2672282	2646600	2301797	2678356	2290258	2059825	2155019	2392539	2591308	2996972	2132590	2412069	2168105	1971454	2296408	4082632	1696619	2573061	1766461	2402274	1786370	2158616	2030063	1776982	3728163	3561777	5678446	3686479	4318090	4160602	4028831	3452547	3945365	3615627	4079010	4372102	4548140	4174307	3796274	4159479	3985628	3788678	4407793	3861087	3239693	3221175	2898785	5640439	3568695	3750813	3703810	3390079	3424281	3575156	3592686	3691883	10806334	10870505	6334192	9684079	7907252	6369957	7916754	9244767	6421540	7370760	11904808	6452658	7902589	5276592	6484029	8974224	9786351	5637258	5839857	6106287	7082831	4346316	8844765	5237366	6917511	4501821	4744570	5468797	5955146	6407713	4948554	7034540	3999276	3219479	4679390	2680406	3768030	3672845	3770683	3664857	4094229	4070972	1826457	4023893	3734336	4084904	3957986	2388055	3574790	2724072	3338919	2426757	3189769	2111231	2212263	3985592	1990121	1573564	2132729	2004306	2199599	1324246	1800286	2122887	4938849	5263091	1279454	2220118	1360767	1176084	1231951	1962968	1432665	3880209	4321948	5174885	1103199	1585123	1191882	1364909	4287281	1213556	970001	2624121	4263950	1103774	3366674	4402118	1047093	2834234	1006990	1593437	2576451	1327220	1028403	1122637	5419422	5763257	4483839	5743374	5772350	6075166	5844923	5677886	6156697	5952161	5861309	5794846	5770980	5628182	6017850	5575888	5885428	5807924	5762098	5711949	5687363	4019188	3940831	4316537	3868245	3846756	3931670	4115282	4309520	4273857	4132290	4037265	3991952	3683332	4136338	3786794	3810125	3539003	3871043	3854180	3636203	3464747	3712361	3647899	3496301	3615808	3287182	3557581	3489554	3599831	3778293	3630609	3853453	2090113	1987808	4312636	1851945	2029265	1928110	1962750	1949825	2017000	1932471	2028264	3680582	3926158	4264436	4106395	3811016	3715111	3672434	3946000	4083929	3995534	3999610	3797166	3583756	3793106	3597399	3807200	3550218	3525616	3639491	3670598	3656656	2074948	2038862	4246025	1952391	2005552	2030513	2056174	2102309	2087381	2045977	1946251	3890945	4056677	10449840	3818487	3818533	3747679	4097358	4052164	4464277	3610432	3790749	3894659	3604975	3550792	3882667	3632291	3573740	3723161	3774914	3784681	3672533	2783174	2830227	10719138	2981819	2833584	2575302	2571682	2735962	2805998	2806487	2703481	4502785	5149232	15518628	4045482	4893372	4229204	4917724	4762369	4223404	4665619	4529150	3104365	4018624	3720476	3873074	3675217	3150836	3262261	4130306	3477622	3342206	2887219	2210126	13717278	3012295	2601494	2980521	2364583	3252941	2790144	2441000	3052689	4837341	4805812	3964316	4676972	5117049	4964654	4624004	5068414	5029979	5206917	5134842	4673404	4814953	4577817	4740480	4943604	4661193	4647021	4746049	4542495	4973232	2824817	2698939	3937923	2800617	2712350	2762425	2797743	2737717	2485682	2657505	2646214	4001333	4016304	9550880	3597422	3755076	3531372	4190932	4369614	3969668	3669944	3849619	3691160	3785389	3538914	3795608	3755667	3796060	3645629	3827101	4027722	3704533	2719839	2461199	11123856	1950015	1969574	2251706	2546646	1763323	1643504	2235142	2029853
4-imidazoleacetate			950436																					1071640									1861318	1857598	1067398	1726355	1672974	1772591	1539808	1793640	1840700	1837405	1615000	1818411	1417698	1449545	1638211	1498126	1875401	1871639	1561565	1579860	1634895	1291344	1489098	1016836	1276657	1461507	1445657	1473272	1482119	1494806	1657511	1337945	858288	867860	1011944	841386	842544	807074	938380	1001453	966624	905048	904975	806182	776950	965362	1103860	935252	957702	958305	944837	994417	963672	609269	652071	921546	751438	670446	692579	784826	949985	942362	790903	844111	2110418	2380684	981237	2252694	2640953	2512551	2369126	2629769	2916242	2785516	2708221	2876101	2320630	2693693	2924231	2560600	2483273	2840853	2787163	2422920	2546161	2050017	1994525	1360346	2366524	2134244	2346011	2303114	2489829	2412329	2385197	2456790	1170641	1509149	1475958	1594199	1472703	1597483	1337668	1358709	1663373	1356320	1756923	1393706	1873270	1374290	1688574	1381216	1671946	1834968	1991189	1557170	1662235	1561850	862901	1911561	1114081	1151982	1121760	1004062	1543016	1383643	1439874	1398777	2959183	2936720	1588891	2849534	3368966	3236434	3193079	3406359	3761254	2835927	3080746	2613111	2969624	2628580	3410744	3036719	3011676	4015850	4281458	2629518	3365807	2873585	2491894	1257653	2896223	2616450	2860146	2714662	2846452	3217954	2651288	2833077	1207578	1368275	1417277	1566332	1740550	1444860	1915200	1598625	1881991	1269333	1386919	1580843	1424580	1205909	1497792	1647151	1428742	1967695	1703520	1358809	1495139	1194508	1334311	2001572	1278112	1466802	1075546	1388360	1261959	1289696	1182760	1103065	1005675	1138062	1327230	997043	1170264	1122154	1148956	1228733	1054661	1073293	1053835	979186	999378	1060504	1072425	1224145	1289266	1097363	1202039	1277699	1161146	802929	779950	1720016	842489	864384	800642	642135	874008	789607	719208	838654	1262419	1603977	2023910	1222266	912711	1193442	1326884	1233849	1331377	1083781	1037846	1793775	1509100	1152224	1114486	1237206	1185983	1448923	1763909	1714692	1154078	971171	784226	1809459	619766	974276	861739	909402	808392	1167071	908540	891781	1147945	1524454	3478954	1877050	1354806	1816763	1513792	1553716	1650622	1746810	1377235	1613115	1366378	1533533	1674862	1596519	1776771	1479139	1829936	1398511	1704233	1190077	1177341	3534314	1321607	1019528	840940	950154	1348941	1184267	830008	1169473	1452756	1705502	4130341	1672263	1454408	1589037	1880385	1702049	1558470	1424672	1483308	1557180	1282977	1423582	1603609	1509623	1599041	1629096	1580104	1552079	1839839	1001885	1088487	3932119	1022914	881861	843364	1076627	1101154	930719	1070862	1210566	2132704	2051394	1467315	2182973	2390331	2225513	2057742	2082603	2415286	2048085	2277556	2155171	2201041	2638086	2686787	2161029	2245526	2411456	2347015	2324715	2204960	1660096	1729216	1525617	1570617	1801730	1718492	1815325	1616192	1863021	1794763	1964105	1350855	1350533	2919493	1377044	1498504	1500708	1845883	1594279	1715354	1810292	1601588	1494427	1367415	1733577	1778273	1363805	1739409	1670516	1670817	1819780	1614987	868515	943273	2994263	866520	695662	798465	900446	1077636	937557	782096	792287
4-ureidobutyrate	1523969	1518747	4413057	1396057	1523521	1786056	1466156	1596683	1578442	1378047	1459168	1726135	1887071	1860898	1712838	1834605	2026682	1906529	1873220	1714113	1740218	1425973	1395751	4544603	1414701	1455605	1329571	1487005	1262248	1406353	1473717	1366475	4223217	4443575	4571810	4253154	4261507	4461800	4447142	4526040	4269811	4150429	4402458	4772395	4942624	4849312	5051283	4757700	5387817	5211516	5097886	4730743	5178613	3800706	3522644	4464570	3647035	3763787	3562299	3551963	3567937	3560456	3679103	3682911	5311140	5020849	4142451	5504679	5612095	5534451	5580796	5474699	5858987	5536277	5428110	5797872	5559845	5920914	5986713	6189075	5598608	6091825	5588820	5834714	5755562	5172416	5376202	4282654	5677123	5473353	5551904	5364638	5766476	6132472	5284682	5614640	6369108	6114403	4627484	6265219	6302639	6421817	6216832	6999143	6975624	6629902	6673453	7011311	7017967	6936553	6937202	7302894	6670439	7067357	6787510	6094602	6544955	6055384	6406427	4657078	6625661	6045539	6563973	6314288	6406118	6600518	6540690	6404260	4905159	4812071	4344622	5125227	5452988	5199066	5732573	5698161	6179974	5969680	5197320	6012580	6609704	6767157	7210634	6014113	5996775	6151870	6285411	5544955	6196667	5685684	5180233	4497283	5493108	4946806	5165952	4869072	5780645	5024070	5532043	5924882	7417519	6834703	4374641	7751012	6788210	6909861	6626353	7561061	6811223	7149383	7157119	6983027	6273982	7538194	6620438	6664862	7033694	6905220	7212864	7831631	7216938	6677248	7018361	4473885	6595172	6958348	6577642	6783242	7020563	6207031	6060328	6239511	4818089	5107120	4550512	4816179	5413823	5199722	4664352	4942876	4607861	4883889	5555981	4963282	4955610	4926204	4568608	5048061	4906450	5246135	5177040	5353403	4892546	4938985	5074777	4557839	4994237	4634331	4452492	4654462	4428403	4899973	4801547	4978695	3413029	3347851	4615852	3355284	3428854	3301007	3257779	3419442	3405996	3074916	3296681	3912847	3915787	4115747	4080011	3701751	4081697	4464569	4461472	4193832	4652593	2940451	3241308	5099146	3111934	3019584	2966053	3246101	3110578	3008000	2978355	3151400	4252478	4096267	4031753	4516565	4049683	3946235	4283669	4486990	4802108	4274018	4385563	4415292	4339535	4673657	4947683	4759126	4292929	4754134	4860503	4556926	4348879	3456461	4011772	4484141	3724191	3781339	3761605	3866929	3951342	3844402	3862956	3770813	4528179	4440820	7109415	4863463	5208669	4483499	5360204	6042699	5666968	4377540	4650253	5651666	5719211	5647322	6087846	5452469	5955216	6909842	7327517	5530476	5982306	3154912	3111848	8396146	3160919	3419622	3035870	3073808	3423580	3410752	3209585	3284237	4824925	5043437	14763341	4432769	5085825	4466667	4906190	5275916	4522664	4611630	4360977	5604849	5113573	5154121	5321184	5251336	5326228	5028694	5438910	5264456	5942272	1776282	2923389	14208781	2648502				2812367		2075954	2380804	11229677	10966221	5195381	11753500	11181469	11852682	11016420	12704817	11501016	11996138	11716970	12962467	13307893	13532105	12955570	12671608	12802462	12354598	13039605	12657891	10956508	10451760	10272340	4972986	10885344	10315614	10986485	10310528	10407116	10436771	11455453	10982524	5928635	5550793	8130152	5043183	4976086	5258494	5853217	5925438	5587825	5028948	4785915	5073994	4915970	5337924	5158830	5981476	5310278	5149419	5002459	5316623	4920104	2618293	2488475	8145183	2737954	2712412	2407342	2648450	2723628	2411907	2560728	2779939
5-(galactosylhydroxy)-L-lysine	2854401	2684228	2614594	2980807	2701947	3229151	2533303	4067450	2789912	2430545	2410719	2071777	2512394	2255012	2742590	2292248	2752816	3156663	2955415	2699453	2722230	2138328	2114493	2365801	2051961	2277983	1867377	1720054	2574833	2532047	1959245	2171122	3245414	3125516	2223543	2793943	3284536	2751496	2262689	3012400	3195761	3341207	2904968	2482422	2703888	2542100	2494858	2448985	2434446	2437580	2179816	2112301	2501119	1479404	1681804	1754525	1111145	1630938	1403387	988654	731737	1688221	1676161	1104965	1962263	2304527	1487497	2838930	2192537	2145639	2079401	2048292	2167735	2364502	3015620	2634578	2391501	2419729	2509215	2438501	2740990	2458258	2338327	2541506	2280402	1901924	1644340	1722870	1867620	1966832	1698415	2025642	1886835	1850051	1853389	1876571	2229282	2124616	1752837	2352737	2472872	2720685	2538324	2153202	1951874	2258553	2340361	1203660	1223657	1159505	1191689	1258055	1205832	1082211	1211065	1283914	1318424	947368	977619	2291893	893830	903073	972670	1019858	858277	965061	954758	949614	1561557	3527041	3663892	3224049	1617167	2013563	2423091	1731572	1693178	1722608	1692110	1826201	1928816	1836353	1910721	1883396	2315827	1852650	1911928	2021469	2054827	723547	877759	2526247	686953	868198	841179	541905	1038117	808724	843817	918461	3466078	3351726	2590123	3451489	3277077	3266442	3407722	3136452	3575133	3656124	3107830	2865815	2955257	3437085	2676923	2566615	2805001	2735516	2913992	2689666	2424483	2430555	2895179	2240648	3065494	2970619	3148772	2757868	2464473	3022804	2803798	2864209	2699037	2715531	2524268	2535072	2736651	2652175	2878613	2676788	2616695	2625167	2840551	2356926	2030016	2185017	2052924	2236403	2177442	2120198	2037306	2000167	1979018	1977393	1589232	2723337	1795705	1701283	2062300	1779462	1993602	2216421	1792994	1784418	3492096	3710480	2266885	3723730	3671874	3641453	3169257	3694311	3449201	3336010	3194313	2808033	2756855	2823138	2990168	2747984	3001999	2792823	2694141	2624543	2746492	1793595	2020062	3527566	2355742	1912940	2227415	2289616	2521245	2224235	2194482	2018784	3179593	2991821	2700385	3065822	3396004	3170594	3540995	2808957	2502130	2385292	2600539	1344310	1303827	1394792	1426634	1233320	1502536	1588121	1481909	1688653	1618509	687954	890136	2243406	552397	802568	922155	820547	793525	858715	688600	820612	2688691	2590301	4952446	2511976	2522787	2848309	2989830	3166388	2208729	2514051	2391689	2360748	1704175	2116143	2299318	2139760	1973882	2291967	2055813	2094403	2185929	2219602	2454707	5335203	2233222	2205771	2049004	1997879	2055562	1966291	2086321	2017598	2073756	3335715	9082431	2266359	2447565	2657168	2698071	3205100	2137073	2156768	2312688		1655603	2210031	2063371	2217208	1978005	1970599	2515977	2765845	2637932	2234923	2558213	11223638	2226412	1526810	1567203	1454379	1675642	1406486	1489549	2261102	3131371	2508080	1905032	2360693	2203127	2225409	2698205	2194539	1587539	2111216	3080540	1110647	1164443	928409	995009	993422	1350298	782803	1151262	1130181	749663	837259	1042370	3548231	746137	747781	763434	916848	647846	396542	634841	716814	2331016	2367992	2671801	1844637	2303948	2287796	3002403	2483522	2293911	1609832	2076552	2338735	2241176	2104132	2094333	2321490	2506471	2488659	1116938	1400669	2226412	2335226	1572616	4666547	346848	263610	779651	2074228		259057	973109	695740
5-acetylamino-6-amino-3-methyluracil	336920640	311320384	173699040	309031552	315498240	313931168	269092800	332051776	297201024	286846880	309274528	353761120	312050496	351834656	295748896	312448960	317920000	370889376	375519392	330036000	328026464	392491264	383966592	175322928	371708416	372184704	373888448	362608992	372724736	341963072	385699328	408437568	51441956	51079304	160828768	46047360	41415716	48132956	51159244	50845348	48202312	43924764	44620776	41242816	55179588	51338536	46388940	50305104	48012580	50297108	46957560	44849380	48519140	57785944	47585372	174115536	58010216	54653284	60429404	42866864	57116132	43225520	48506428	57688352	124874608	139937632	156836032	134872352	152709456	138192208	120268696	151132656	146170752	144499536	133028376	142849312	169228048	166679136	137713872	151789824	138107936	132857200	163830688	148297856	141369568	151274912	167350768	141492944	167552320	171055248	168833024	141648496	165619504	170167680	173912768	170173376	258792960	267076752	125945824	300993600	293787840	293641696	263713504	331557344	314170560	286495904	272430752	253631120	280549664	272308928	264526384	296539040	310313792	301400736	264826256	293592352	320131008	297117408	318794208	141165360	284242048	284718336	328568832	278570048	359252384	309693472	291280128	312346720	151518000	141197328	207688720	139611024	136129824	126934008	148270400	139020560	161060912	160046992	136800512	166389952	164016672	177914560	167233632	142265168	149424000	144525104	136566880	155181296	150454448	154915392	150662784	195583968	184741744	176537008	182507936	175105440	187091536	152882864	154648208	188525488	157697968	185470112	201345568	164175840	137621392	160515584	166842112	194469776	134156768	210579264	190277408	191386704	150668048	203938096	172433792	148337888	207777152	156351872	189687680	210333520	205039408	162198880	192980400	197116192	188241360	219985280	203347488	211867232	231177072	160290752	161865648	167026272	277372928	314140608	202813360	286297280	293310624	298559424	244228848	282943584	276442240	263924832	259445744	278093280	293027744	301370624	288033792	330286880	251188880	255479232	297149248	319794976	318922560	277723040	350954432	208535536	290442592	264194944	329750496	318025216	319370528	337201152	272339072	309035296	188457456	201237904	485394784	224283408	210043888	181643216	187872768	162296976	220232320	194371584	188691840	229877520	225421552	183754240	208154864	175699536	177187424	183026528	205612016	170655040	233767552	207100928	203014736	582192896	201062448	226903088	174099280	190019296	217627232	222839296	181874320	209813824	147029120	141431712	164670928	168837008	136381136	152386896	150310480	150120896	163490448	157469328	168825600	156606096	147125312	152650800	156371888	165978912	142831360	149324128	149681616	153047216	139014208	152411792	172320512	165557392	169655952	159943280	174713504	172941840	186805872	175008432	159287088	165661376	152348048	144385920	281317216	171277792	176237104	144873008	186054176	172021440	172433504	164458960	152961216	159698224	170761792	175484560	161910384	187728928	159714368	171250784	172320784	154485408	163983920	176854416	159474736	341221568	195734048	191361456	190351424	188560656	188469120	189982880	189409584	187089728	183553600	148732560	133242136	172040912	152459456	150590000	178527840	179511936	179351392	143249296	141981200	176757392	159292032	169535584	154513104	173207328	161928544	200719712	194190608	188364736	172713392	209794736	194456416	131021304	192093856	186678528	191653248	166154736	157852960	192277344	161173776	161237088	96192664	111926344	548627264	109217072	85012064	83820352	95866280	104105656	88972192	114778640	123045640	124117896	100427528	87555024	86867400	103962800	100225056	106615624	95941768	103309576	98195416	123142792	105956736	428560672	107192344	111434680	141677712	102099168	107427560	125581472	131890256	88446888	183851136	185472176	890071360	201074464	198616608	209940848	163347344	207919024	199559152	158081936	164440576	155112032	180842496	197165296	168441504	182084048	172940624	161595776	153871952	186632080	176054896	168205216	171813680	939871360	156908656	166533392	133750224	130750248	144897168	156755584	140617376	175769392
5-acetylamino-6-formylamino-3-methyluracil	1062488896	1022510208	371638048	1011287104	1068984064	1069696768	1042374784	1059798144	1034669824	954220096	998786048	768499200	769569408	762530304	760656064	776077504	781261120	721709312	797022720	786421056	779443520	756928000	697966464	344400416	651464512	663203200	675150528	662148928	643180736	670963136	662178432	649531264	38983792	51039304	298244672	46994168	55426304	48236116	53064152	46442768	44874036	47593620	53821272	47473956	40293172	43018316	46680920	40876556	43558016	45853464	46144184	45988488	45270328	40686160	46452648	275919776	41365192	37378096	36216512	39263116	28081082	35432560	33927200	28389442	312137664	292956960	329580864	302768960	322162336	311944800	327599616	290750368	316323168	320588576	333120000	256033216	244481456	222257120	241355872	258425712	226370640	217410288	222164416	200149504	234933152	209952128	196189344	351256064	178078000	179363040	181192784	196586608	185562192	190621952	190181376	185565056	378169440	400954080	317442112	336062400	304645472	332177568	389635328	289435488	291002624	309789248	388256160	311164896	402525888	345740832	319148416	357283392	264760144	290089824	300709696	278685920	287490112	279186368	286065280	220188912	296460000	253378800	231080928	248869856	212318800	280121696	235778672	278770112	204046784	245326064	300960000	243583760	277832160	272314176	216347520	260850944	215767120	218836896	264749072	164638512	203899408	179162576	190823472	227372096	191223472	211205696	213529728	193880784	190390672	194580624	202326064	317424416	158771600	167615456	141811328	163474352	165004384	189294736	213206848	163895440	546245760	370066976	315283584	552296960	512277760	462126624	404728448	411888096	487841280	304726080	355402688	345412128	441604704	355154464	368140480	431699552	287033664	417977664	348148288	351184672	360582912	402243808	393832928	352967488	328439424	294467296	310916544	331164992	279475424	352337216	383923808	380903872	454887552	357798688	292913920	523536512	426613952	527776192	435079264	437833952	443762368	519633984	430643552	346353088	305180224	299972736	361370624	291418464	364393568	344003040	343302976	299697760	302692512	357031200	308372672	301858304	340262688	310305088	290221632	289892000	254695008	283015040	332286720	312743744	339886656	365767040	1804357888	329224832	333168128	343679424	333485440	329836800	290846464	336246368	321953568	286389312	293041088	321645696	299363680	306154944	324903104	310675488	304637216	352905152	312441216	331887104	320036512	1535385216	299876960	310205728	307709536	294969920	294167968	270377504	298135840	290536352	108357128	113002024	322322080	111052648	107278384	112189680	113215832	98585208	112870016	110023464	112873048	111790704	103830752	102893712	107568784	99054504	97035168	99611152	104471864	108448704	101734560	117177552	106261968	310550464	111338808	108770624	123461024	106907352	113277144	121601744	111440664	94282512	305657792	308404736	231965248	309671008	329698880	303409632	322296640	296046464	297961856	306952096	330749024	274190752	285736224	288291168	276433632	279076512	270361856	266703968	272136800	300291552	289192704	286523232	286987808	183389728	278409952	289772096	291440608	284219936	263519264	292751136	288634432	271368544	372776000	376948576	173145392	387356000	320323392	346327296	367204416	405239040	353618048	287703072	322233504	315120352	239021232	308162048	249812976	313815264	256821136	268420784	309864960	304139584	307791808	289222592	282629376	186523088	217316736	251166528	276043264	251333680	246799552	257377632	256761904	254553408	140999872	116526208	1653814016	133236928	147997456	134848240	133055584	124531360	131480896	115686200	120472128	129179136	164433616	144361680	138000912	127582904	163054880	144018864	141573904	159280656	154482240	163900832	119845704	1965242240	120639184	168982912	151998096	153565552	108846088	118334416	123426424	121870864	213731520	280616896	22174025728	324386848	288462816	275426976	209968400	206520112	214031024	305885248	243025392		228470048	333292032	206407008	162657072	235898016	281865376	273214976	257163568	247420864	1051854528	1242719488	21841643520	963675008	1210515712	1405995648	1190686848	1132201600	1216010368	739836992	937208256
6-sialyl-N-acetyllactosamine	2845211	2389233	2227983	2640747	2235121	2541150	2291467	2164512	2535857	2334398	2607867	2566922	2346683	1854779	2194193	2685752	1789229	2645092	2603313	2584460	2856896	1429720	2441039	1806051	2430481	2399331	2421380	1830203	2329772	1460609	2587494	2308215	1295184	1242649	2575474	1139273	1178130	1111944	1269277	986707	1050769	1017320	1483800	1144007	962921	1011260	1259893	1428591	1058657	1085351	1215677	1622435	1184382	1259777	1014141	1470215	1001076	897732	1004142	910408	1274021	1092836	1094430	1365788	1150857	858233	1262762	945978	1123654	1101433	1162788	574275	876362	694500	870777	854614	1161671	1067854	998037	631145	1210722	1086781	1058526	1132032	711367		542773	1039669	981650	1348338	1059006	909616	942619	1013893	1217887	1058426	8514384	9793677	5596939	6057846	3926455	3398901	4649085	6849622	3401748	3896639	10312470	3472569	5323151	2633287	3211961	6600924	9595396	2777684	3219190	3351844	4221405	2381750	7962315	2364588	5073268	2705407	2415799	3119096	3801193	4007013	2829587	5470675	1555066	1584736	2272821	1494745	1505778	1588308	1482500	1502021	1630246	1610927	1387108	1604505	1624343	1589667	1652888	1506949	1487843	1462933	1502384	1449690	1476222	944745	972072	2142201	904138	922171	961734	879595	955534	832948	957906	936282	2287628	2313102	1398814	2138950	1218079	663899	798160	2021205	1217252	2277720	2464388	2364995	668285	1781819	891782	1234395	2150140	1117648	559405	2041742	2075791	694982	1765058	2208728	637180	1745934	578896	1483587	1714666	1024651	585166	694334	3393627	3567539	2193807	3421668	3457459	3735350	3404405	3371046	3690187	3500721	3659132	3631493	3679820	3644622	3572254	3636486	3585871	3534272	3600087	3717932	3645736	2582760	2504940	2114838	2246349	2404988	2466178	2560904	2731171	2694599	2577939	2463588	1763332	1621498	2434549	1651405	1659301	1541935	1640099	1623372	1613055	1535386	1587568	1586819	1477369	1518212	1469680	1510814	1526890	1645571	1693411	1618015	1712237	1095730	1033877	2441703	1013405	1094584	1043373	1023163	1036017	1031529	1025677	1047865	1552402	1683563	2110819	1697620	1668963	1620527	1550318	1785891	1799842	1681435	1791660	1636804	1580225	1634308	1585869	1626097	1533663	1517297	1560081	1575737	1537819	1021937	951340	2129176	991157	980228	979347	989897	1009187	997796	982391	972427	1666725	1687177	3781064	1680168	1618196	1719226	1790832	1765225	1894294	1659914	1576946	1716635	1544358	1532633	1681074	1626674	1591877	1597876	1694563	1645971	1636755	1374900	1445807	3903465	1525037	1337551	1298516	1274751	1333406	1421365	1464896	1327164	2233722	2442797	6041566	1636846	2534922	1976512	2562428	2263205	2064555	2197613	2309805	1301286	1791761	1706839	1530661	1615394	1394174	1465895	1789400	1629476	1426214	1308300	1036369	5247701	1335258	1163482	1409157	1247739	1572057	1359796	1213127	1589675	2251215	2318458	2197647	2263773	2483702	2358656	2269049	2447215	2347534	2472927	2475712	2228128	2228056	2236096	2292346	2491920	2272340	2176806	2279967	2139304	2388637	1516666	1550673	2144167	1590649	1458445	1531380	1575312	1539021	1455263	1558728	1489540	1823460	1686174	5310239	1635405	1744001	1529601	1865360	1887300	1745111	1642358	1623129	1500073	1671277	1463415	1638990	1621741	1641495	1701882	1595871	1685106	1544395	1468818	1307323	5972732	1061670	1026359	1242713	1466882	841728	895065	1321166	1203953
adipate (C6-DC)	4945633	5026872	12904628	4707750	4920590	4865116	4676343	5121693	4794217	4599792	4681693	4429578	4612711	4590718	4581896	4624187	4806984	4911889	4935201	5107416	4884225	4223974	4019801	11990103	3527424	3586908	3352613	3455362	3171694	3800552	3316730	3807663	5652435	6816775	10952916	5912423	6606745	6833492	5625856	6524260	5890755	5729879	5299028	5843024	6034136	5558762	5646703	5020463	6135381	7101068	6677936	5898084	5817919	4059381	4570518	11317993	4082226	4906431	4476152	4303213	3825794	4162442	3942734	3885997	22318774	22538070	12257084	22864366	24393492	23759672	22963004	21563892	24915460	23496836	26217130	26131032	25992688	25221988	23853884	26268776	22091978	22849226	24114164	23871758	22118698	16092681	16159614	12336933	17370516	17601036	17790022	16671188	18266338	17885906	17092372	17922296	14277838	13938599	9586410	15160117	14427814	15495513	14570147	13956278	16055991	15828373	14918993	14193634	15131078	15352802	15256046	15652022	13481803	14893897	15116482	14707137	14748100	13066226	11764183	9184636	12806135	12307158	12575872	12572774	12649205	12843857	13214294	13076378	5848080	5838931	11210005	6032932	6333894	5775567	5984250	6048324	6281550	6499027	6412412	6611250	6526196	6743308	6419259	6424352	5869672	5946812	5947812	5851218	5745443	2716197	2824335	11614008	3057369	3715511		2162799	3603967			3947841	23642918	22242510	11425932	23556190	22786816	24994156	23804416	24253782	23192906	22884210	23885992	20954068	21926880	23658950	21740766	22365680	22077324	22142136	23728564	24724464	22879090	18998676	18545412	11388643	20103628	17956818	20201998	18490934	18080608	18512008	19293666	18177178	30893804	29156960	10932642	30682574	32910638	31601554	31429900	30268800	29780660	26155396	28398288	30349646	26556454	29650582	27642212	28342316	29711764	30363406	29296554	29786382	29562660	31005740	30572470	11400418	28461186	27989304	27932414	29319286	29146466	27433546	29213098	27383918	8172360	6792017	31914822	8162821	6886883	6934100	7560028	7557878	7908492	6829891	7481008	8219240	7851605	8750898	8334952	6571634	8561483	7763338	9890508	7759936	9356255	1791736	3400033	34057632	3485179	1776414	2129270	5731846	1380635	5804415	1998851	947385	9529896	10354826	11579287	9661634	9348307	9321789	8806201	9800261	9978348	9426183	9680163	10050459	9454747	9879701	9507141	9973635	8811578	9268337	9352999	9430839	8752728	5437224	7746406	11541088	5117260	5382318	5336926	5938873	7755937	5684862	5536720	7263404	12207330	12026348	17851452	12380178	11438450	11624800	12758574	11682017	12404417	10917617	11354769	12071326	11086475	10521664	12417722	11624942	11740676	12586543	11973524	11749620	11457376	8129367	8454613	18503340	7824895	7867749	7361657	7276334	8069585	7700234	8192000	8257292	17900540	5162068	18627108	16949270	10514910	8560832	6598821	6215695	11079201	11868609	6934585	13801379	11111525	10080036	16426218	8988834	12553946	11178015	12335313	11659779	15713436	18628000	11943526	26851750	9791522	10831895	12549139	16477188	9438234	11422397	13494914	11366833	13387223	13617509	33767540	15275668	14385439	13449064	14793872	15619739	14367903	16133196	15981732	14575627	14849215	14269211	14617532	17060310	13936890	13107296	14109286	14206722	11486633	14884870	14670808	31811070	13766108	12103985	15776331	9825603	15098922	14028777	14744537	11595544	12859670	11291170	44080312	10225058	10353899	10357155	13113665	12272028	11105395	10924773	12725338	12613298	12812497	11791007	13962825	13033875	12826373	13511875	13000286	13372397	12864506	8530455	6964251	50711548	8537369	6647180	6369195	8299926	8320706	6353304	7911924	7355070
allantoic acid	1104037	1049582	1819785	1032913	1067212	1103381	975184	1135229	1050587	994514	1082905	937966	994493	898976	933244	983420	962637	1037102	1022879	1031942	1131688	2208489	1855428	2016241	2116986	1988105	1948410	1995173	1705191	2098710	2216547	2143732	2756271	3092567	1520678	2614195	2944218	2961708	2676914	3176304	2724298	2725326	2734708	2690465	2758194	2546997	2702252	2591933	2881111	3234542	3178105	2839451	3063662	2974851	3243985	1514427	3072478	3529526	3249061	3242224	2878196	3153347	2777980	2937741	4520592	4267292	1531748	4208428	4741809	4781480	4564938	4127485	4554073	4496014	4675946	4543046	4733365	4707970	4470680	4546058	4771301	4584216	4706583	4506388	4275380	5039755	4775335	1383533	5392600	6593849	6204035	5219100	5364427	5550335	6433922	5549913	349508	346829	1371204	410831	329636	339798	383335	409835	372458	405147	344950	274383	264411	307180	310360	301766	353565	249495	316449	339051	327839	426960	428403	1284480	436850	400841	434072	391025	443527	400426	425873	443596	2228917	2428587	2061473	2443100	2145586	2144509	2053283	2166597	2246162	2049998	2485930	2103166	2358028	2327397	2131105	2233205	2198118	2346322	2125966	2278605	2120211	2951966	2500914	2241746	2312384	3299409	2763064	2623746	2530896	2954355	3132772	2486875	1260327	1145488	2396903	1323383	1087170	1082090	1094080	1412102	1085667	1267142	1168830	1203780	1015988	1329995	1235223	933917	1167610	965919	1149412	1349709	1112423	1551309	1634979	2257544	1624753	1489885	1431549	1631514	1709134	1435944	1492438	1460796	2452814	2613819	2112530	2348597	2305119	2417044	2335179	2591277	2480560	2026565	2242573	2409571	2313476	1963941	2239987	2137151	2164757	2365375	2236781	2074783	2025897	2055979	2151991	1877779	2263995	2612629	1875118	1958064	2192278	2281428	1840828	2681304	547227	467512	2089606	537735	383321	478109	653983	403110	634084	486701	578904	442562	461415	523014	486496	380910	301225	465063	506408	435766	538226	792400	841067	2126090	798450	730511	799572	818910	686412	770431	723307	696848	1812271	1925542	2246508	1623797	1777241	1699437	1747796	2057847	2008761	1770969	1632668	1874730	1818935	1852035	1800715	1749571	1659894	1638313	1805588	1899191	1685253	2426002	2389118	2075574	2683119	2752267	2677725	2681663	2539418	2785900	2660994	2672631	1988544	2035629	2175285	2035423	1913691	2189907	1926581	2170583	2387509	1919320	2083391	1957371	1757782	1736802	2132305	1808226	2025013	2035195	1910784	1919923	2159240	2360873	2385942	2221547	2065238	2180021	2321265	2301073	2366363	2144102	2196951	2509549	275622		5614299		310534		296057		284878	242279									252291			2375386	2521210	6227408	2415989	2002417	446403	2418427	2449746	1495464	2222052	2213280	7617366	8257758	2659007	8217561	8118700	7986552	7982054	8140508	7959760	8304660	8372438	8163663	8323818	8483097	8203126	8355681	8218670	8039255	8039937	8084139	7803715	9929351	9098525	2033413	9980484	10477428	10460779	10908139	10087626	10365363	10584936	10965947	1919432	1766947	9938573	2026138	1542325	1567193	2125781	1877913	1902281	1560677	1808419	1854017	1661579	1730381	1700699	2068172	1951702	2151269	2103295	2112401	2160481	2321215	2333627	10226991	2621578	2609036	2409847	2291815	2433603	2524635	2376488	2307039
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alpha-hydroxyisovalerate	17563710	15818567	22711264	12756366	14104220	15144382	11301347	14565603	13510558	12100857	13908115	24709676	24538100	24400386	23221876	22794568	24925202	26271776	25111842	25120200	24776412	24769252	24489532	25994688	21550418	21746918	21214452	21701400	22273764	23428686	22140954	22553222	68575184	77186456	24319398	70804624	71632240	73814184	70867384	74778608	68333304	66374092	67273216	69082544	69066840	68491512	69810384	69308592	72858832	75983448	75753640	73202360	74630712	70337328	63966228	27875038	68101320	65339256	68211736	62528556	64738048	64736992	62509324	65588272	12710382	12209181	24127772	11761976	12609516	13252591	11296281	14416333	15470195	15984833	11386102	25523124	26139218	27514560	25731264	26734838	21685708	24181898	21486322	22782936	23284680	23371914	22568036	23768332	23775834	22378558	23110320	22610522	24328704	23458678	23483164	23755334	62622724	61922256	19051798	56320084	53025796	57320928	59351184	67763168	69263712	62630364	61743116	71692352	84559792	80104216	75123816	90398616	81194184	72370296	76772000	72148720	78415680	73448784	75853224	24249746	82044312	75531488	76213032	78301368	83838048	84436224	78932504	84367568	25596718	23630634	20241762	23413088	25029672	24400340	24317522	26181010	27727244	28573600	27244206	32494594	30704790	33551960	32322358	30663562	27284074	29476382	28056538	27828810	28361386	27447820	26489856	18140198	29777822	28525218	30585852	29949958	31237740	28624796	28996148	31680160	46956448	41574816	19035690	45619996	38273436	38695200	38397252	45873712	37697192	47035104	39974348	41888996	39535652	46553384	38049284	38920120	43596620	41686644	40997984	47230324	46416744	37872184	42115956	20215492	37355860	38052068	35256288	42916368	41390572	34861220	37839420	36977744	22589774	27543694	17600358	22619932	23984918	22810520	23540730	22253724	21025546	18641034	26838512	24223708	26509934	26524672	23612020	28138670	24921968	25953584	24058856	28463394	26403276	26270430	26081950	21222066	22448740	22215822	24695202	26229982	25830516	26930522	27443170	23336326	17281166	14983959	26751882	15524213	16028841	14079158	15253775	14576372	17024896	12950817	14712926	20839734	20060372	20356000	19273318	18301902	19070830	20367716	21509208	19216272	22713244	16709507	16082253	32401110	16459515	16549086	15948939	16463100	16010469	17967396	15502792	16309607	12187173	10861314	14675492	12858797	10320081	9856956	11040378	12120411	13628793	12847951	12916345	11746962	11057359	13651925	12736308	13473375	12007049	13407385	10927208	11418134	12560862	9250100	11130900	16758968	9871233	9860618	10089706	9921066	11845482	10092101	10389197	11689421	21438062	24275918	82385248	28522472	26146602	26156878	28038348	29363516	20650806	23424832	25813622	29947272	27362462	26533038	29386296	27752714	27063476	30294066	28754696	27860728	27126542	25443756	25467794	95709928	26254114	24785814	23411996	23807284	25470228	23894540	25851974	24316500	21013636	20284846	88366200	18197812	22022632	20062042	22562400	21506696	20461070	16565450	16750220	28760672	28781162	28442618	28554542	27499288	29603794	29934738	32584762	29660418	30711668	28298954	25630814	89924728	25761594	24564664	26453750	25750484	27729378	25957242	25346356	26563990	25659108	28714750	27853576	29208138	27256658	28683838	27946944	31783316	29407676	31243594	30388052	36261180	31797262	34119388	34271804	37063408	30344224	30797724	30755760	29381074	27919794	29555998	29367666	23730052	33525624	27840038	30459272	27424570	32168108	32441818	32728574	29069666	28058058	27558946	58876016	26918814	26182486	26460254	28669018	28739494	28734224	24552682	25508222	25978142	27435276	25748042	25577976	27761676	26228506	27827776	27808760	28274940	26600346	25683976	24449128	59434420	26005460	23932858	22468752	23128562	24788992	22540156	23094702	25834254
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caffeic acid sulfate	146042336	129415384	81064032	131821360	144775648	144055056	134670688	144957552	168665728	116744464	127237312	147775712	136866288	140023648	126694704	146114752	162560976	133639400	162645680	155617584	166861584	165273520	144917280	86014400	134883728	132137056	134901088	134633328	130913408	163612496	133222288	154550144	120231728	128792952	58030628	119699608	130555080	125039824	125515688	125360632	110031672	114859376	125795456	116831624	111482880	111341128	122104184	106667544	112716880	127286384	139327376	132784088	142474768	125985136	123447352	65301028	124113176	125319200	128609032	125644624	113118968	119125504	115860088	114478144	62153332	56572328	65202676	60647976	66993824	65106948	64871140	60339824	62535632	63861740	69535216	68725984	71719504	64982904	66674524	67664736	66001624	64582564	66949764	60370020	60880424	64511888	60206888	70623688	65808512	69809664	66230984	65569624	66806692	67508720	70707744	66085692	71855280	70939176	51326720	73489032	76023976	78242928	73314152	83589992	85002432	74754824	75627376	80655808	83146200	88393696	85318896	83550088	70158752	76203176	80511136	81412216	77638352	80264528	67352096	60038392	81718272	84584856	88472360	83376128	80571944	90334768	86143888	81897456	454420192	480927328	224944720	477591136	443482752	456236480	491952768	453269632	514569088	519211264	466968128	473182048	512358144	518217408	480554880	487739680	468928192	474620160	454107168	486156096	480411968	458430784	432042528	249756496	506064800	513246496	462747008	479940576	501713920	479885664	487232768	505177184	36152528	33931040	242970080	41837704	57505668	39180012	42131920	36685216	38267696	33543046	30844600	31965878	40860864	36061332	34956788	35465636	31833770	39633936	37819740	37147076	39339008	42449104	36053416	209930096	35028212	31440336	40324420	34860184	34854048	36736348	41051936	40672928	91612744	81166696	243073408	84968384	85229336	89634952	117058872	87030072	91753400	77894312	94743560	104929336	97567784	90877128	92678400	86929664	116530216	116732648	101204232	87368352	80613704	108872024	84263296	247038736	86655592	94490944	80735696	103985048	85645112	78088808	100306416	100318064	51731544	33008496	149988832	34037816	31681044	30802582	47678340	35130960	35158844	31453652	46167084	33458520	31396682	41903732	29690738	33550102	33665784	45463000	46205824	34622896	34507440	32929016	31263486	111608512	30216556	31849530	33375122	39433896	30067282	32655112	34165124	30268476	80425648	71525128	215627520	86693248	73024400	77391584	83492112	77270968	82170472	78690848	85585200	75113752	74045824	77773664	80210064	79690296	72776016	75668120	78455552	86513152	70316792	74264160	81947200	206042000	77112968	76649128	89337512	81239784	87401192	91101936	77534184	81708472	83540472	86248904	141296128	105648024	80640960	85871328	86166040	89043704	107067360	73694656	84771072	97757744	77253232	83148632	91184576	79487680	85439928	103735184	89656360	85416528	87810120	102514144	85992232	122954968	97246928	81893176	81447648	75123800	101964512	83908200	92785328	77631440	96124936	85541752	299872992	95197960	90942320	85338600	99642176	93935600	85642192	80325472	79488976	80057680	77137560	73653872	78345784	75425936	75042448	90198904	83846016	85000488	87597440	100304416	95000480	346199520	88311632	86736208	88928624	83512184	86516080	88649088	84529128	83164720	88449144	95447968	99922208	89087360	104008168	101816592	119512536	137212464	106246216	104132744	100297520	105767344	90740648	103625152	98193200	135831504	92994592	92016432	87976888	81561168	84405096	87753176	124180808	95194760	146436048	92780160	96023488	94570392	127099800	106423752	102673496	109245592	83946504	76503488	78571328	85772144	74845368	80131264	87856992	84164808	74572872	99292096	102053384	78100024	80537920	77446184	96746112	84313256	78765384	79878456	86386128	92528392	88012112	104229672	73390288	76485512	98698392	88966712	113836712	93800584	96077352	115275848	96585232	98966296
chiro-inositol			784828					212494			127630								122227	150453	164280			626876					172172	128774	154235	141746	1091658	1193878	621771	887781	1262553	1171558	1108639	1150033	1116025	1036958	1209098	1211430	1248029	1263223	1044981	1024417	1241834	1333074	1179696	1301293	1350518	660986	581986	595299	610593	631294	606242	590995	581260	608894	543525	586560	1543388	1457519	923760	1359941	1646197	1365709	1489203	1499795	1693641	1511369	1568858	1624483	1708904	1763321	1444543	1755602	1315200	1360743	1604670	1461928	1415058	911756	849852	771154	914090	1183220	974606	865117	931947	984417	940866	1079942		367159	540932	397367		468218	596344		572803	261915	476789	686634	413978	843679	592698			349151	448615		584792	304783	428355	582021	390093	281181		286295		436124		247795	3778499	3025226	1425568	3500939	4043382	3010660	3720636	3825051	3832443	3466862	3515762	4304298	3164956	3696535	3592819	3744293	3475551	3072675	3245645	3574462	3037491	1388332	1787974	1012300	1650476	1439803	1911789	1816007	1866636	1584119	1649778	1763419	1297712	790939	1192014	503398	517644			422375			878815	740673		723571		496964	722834			625291	882592		607931	1297896		414857		502495	337632	584744	501584	512111	798020	832344	1623486	1239127	770904	1045329	1063025	561923	695499	612780	572878	1774296	784493	2163180		810873	1319346	1135608	1044858	1216041	533657	942710	1005616	1037014	297134		735998	1037578	485304	828962	1109147	207897	1135060	459106	2185448	1104969	557484	1425140	1190484	879886	757606	815602	873012	774989	1145381	780376	1002555	863495	742997	1151521	792771	944493	1628150	696124	566530	2237601	550063	666593	310292	761496	284589	660061	579067	494743	494461	322853	1259758		390467	244167	435660	365250	162364	241555		766867	453966	701876	675296	874083	187430	264895	420927	936403	363426			786612	124946		239812		186271		210626	291984	1114733	956869	436763	877087	944206	966600	1014649	1009376	965212	1064667	837978	955336	1063288	875811	869477	916066	913506	948132	817045	981838	916350	316655	347100	357324	384469	324891	323562	314874	342991	378921	518675	334615	979496	1067380	2957136	815905	965237	908535	1079708	1020393	875816	823677	1020804	909242	689057	867723	916162	926935	935558	921087	1012117	864646	877082	689999	616757	1721976	674262	472097	362400	764568	772289	632357	503175	630815	621330	1844931	3233344	1267142	984410	735437	1512742	2473282	1699778	1940236	2148757		3143738	2871162	2244788	2421509	1530123			1867625	2051192		870849	2295725	322109	713362	345561	738127	299088	764300	940130	793395		648413	6693308		960533	1217717	747038		781980	876449	679828		617301	692432	938813	1010196	1103460	470636	1114984	1042767			515003	3672673	688222							
citraconate/glutaconate	245599056	235873936	152599520	236377872	261825568	262299040	235708832	257089920	239529344	231447392	230523536	237951328	243302784	254473168	236808592	227371664	262959952	240965072	254090112	243899408	254822512	155630272	165995168	152391968	143151696	151930048	167407296	150198928	176605520	147199584	147623680	148062480	9567327	11453232	140927152	10872942	9820574	10502568	9632608	9784414	8961234	9582701	8980802	9880888	9671115	8609743	8915625	9995360	10012161	10396041	10255455	10439897	10343787	9089645	9083818	142868112	9250560	9394820	9761107	8861999	9138781	9371559	8997759	9042950	148245184	143345952	131226648	158935168	149779840	155115328	148033664	153042704	151759856	159244576	152870224	173343392	178888288	174059616	185125072	184157456	167554208	169069360	164027680	171110592	167945552	172905744	175712816	134933088	190306768	175809760	184117552	187326816	193830736	199184784	168228288	190553568	370920992	365092320	128209120	358667488	412809248	425987456	363138368	368111008	434393728	425746528	381686016	418672960	399397216	434083072	436759712	409084128	368710368	431100992	424500000	429653600	379645856	431568448	379463552	137196576	400569792	432340480	439813056	433706336	403252672	399426912	457946112	402971040	1967729280	2247657984	2337819904	2236023296	2133484800	2323429888	1991800704	2009745536	2234053632	2205872384	2345447680	2365196544	2508985856	2414116096	2325956608	2453225216	2254592768	2372114688	2268527104	2272963072	2302543872	2471086336	2208727040	2429876736	2513732096	2600710144	2496120064	2401549824	2604202752	2543753216	2608322560	2597288192	106856880	93497736	2483657728	107439864	99046848	102581160	99892992	116076848	101392016	97543080	97440600	95043344	104107208	104390896	123679536	96013520	101080488	122536000	113556456	103214784	108437496	116790760	141476992	2220362496	115309176	115393920	122196784	110382424	105678216	129452032	111793880	111971104	162988896	173651472	2353951488	184006240	191697136	195206192	174264096	182379120	182800736	171966768	176053680	189275936	172806576	180491888	177479424	172754352	190085616	199130864	178892064	201887216	193604976	215652800	207087088	2357980160	194561968	173442544	178542016	186340752	182831792	191730880	189873600	176473520	132883688	130521400	2189953536	123314904	125298984	119692272	130295288	127176480	120054872	116812328	123194904	120715744	111729752	139978592	114639728	112898072	124303640	117654480	123382224	141324832	125899672	144626784	151507760	2229582592	120303792	134589776	125814264	120461760	117866128	112385016	123755672	121980824	59308028	66512488	2401266944	60797844	64246916	58286044	56701408	64718380	66236648	63240984	71325176	69532240	66010120	62988760	61214356	63316540	57445392	58432420	58965788	68607712	59832072	67802768	67617680	2349586432	76033168	72669352	73097632	68566464	71156904	71303768	71087032	69406176	175513040	159568944	104955536	164922656	178286160	166943200	183947408	186414016	163176704	172434464	177171936	167157328	172882592	168935424	163905184	178844816	160284256	163720864	161608992	176547136	169950576	173366528	175580224	104931832	176596960	176901856	178568944	178590944	164023232	175608784	175764656	177256944	193792144	185335392	673608512	187418720	188864704	177821120	195206192	193769152	169849824	169491104	175304832	177962848	166582240	170702144	170944304	170937264	175847104	175332928	190337456	181629440	197037488	121243936	106623072	709679488	104074464	113524464	117152712	108104304	114575280	114715680	104893376	104634240	189720336	181324576	2229626368	174519712	206365104	192206880	171729424	198745920	203779056	188287632	191026240	196509312	205061056	211610640	212413760	209962992	192187456	184414960	206934560	204961856	162226576	195126688	200391376	2368833792	207179616	207993520	216518400	220539744	199928240	207757216	210307552	210028272	166796048	172111152	148132464	172606320	173910400	175671840	172367936	187232816	179212368	165809744	173642816	162206496	162044736	175469504	170649824	166399840	160753104	166030016	168552368	170439120	164631024	181346176	191050032	148611088	188169904	195578208	184362832	185724944	188519600	191436880	177972496	198300352
cysteine s-sulfate	10658770	10554825	42850500	10282465	10476193	10484004	9538226	11089980	10327146	9054168	9931299	10129073	10231692	9902499	9995276	10322933	10789966	11030551	10982009	11205883	10464768	12360454	13247264	43425504	12290004	11900233	12326406	12391151	11310005	12290025	12430676	11975636	33697300	35837692	33346572	36306120	35154008	35701944	37726696	35489308	30812630	35134808	32410930	32652724	34323552	34477288	36160928	32778700	37378032	39297816	38849940	36481992	36785220	54312616	53286216	35734472	56635476	53870588	56027260	54659060	44523812	45865736	49345240	46465764	22603268	22282080	36561264	22235922	23124254	23434960	22240444	22576862	22720460	22191168	22898364	21123054	21428796	21316072	20286348	20640706	21227524	20081322	21309328	20816782	19767124	49817488	53310092	36605344	56071148	54893524	55695344	53394928	55116776	53873244	57150348	54363304	44355200	43798892	32823954	44582332	43914808	46474088	45663488	44189460	46472872	47273772	45572896	43806168	44626440	47518652	44409968	46373968	43501876	44504236	43331728	44702732	44255100	104438064	104356384	34530948	109341656	111470112	108020552	110601808	110139200	114257784	117293320	108952184	13982830	14956494	34534032	14289367	15788881	14847328	14949216	14521120	15658158	16332989	15220509	15332015	14996203	15957659	16001010	13897153	14217024	13557054	13545249	13264340	14183931	23576778	22965214	31783902	20180278	22361594	27948870	20821940	19187606	30024834	23338516	18452162	89854848	90562792	32831326	74160936	74368080	73745472	79362616	67506560	68734944	77478744	78078384	78695456	70061104	70428448	70018152	67754008	82737936	68254352	65589824	76997408	80001488	115781152	110481272	33761776	118918512	104953376	123133704	111750584	96960624	93710088	112803488	96006600	36787356	39832284	31050850	35831656	35451240	37467940	36147820	34252964	32677590	32406936	37001236	34237588	35438064	35604760	33895616	36474148	34190704	32925552	32280198	36398848	33663060	64358348	59546924	29358924	63299884	71797696	57188696	54335804	57717964	64183672	61731452	70770232	29346424	26959076	53887272	26860026	26190454	24068002	27369828	27369316	26142458	22457050	26083554	24688378	24073262	26847776	25213448	24155936	24340218	29285222	29345308	27646194	27593018	30879014	28554458	56721740	26581696	28478062	29282228	24255468	26433400	25722390	28527230	27928724	28932954	30670666	25823934	34835584	33678664	30384122	36087776	39811344	40289004	38975372	32233518	33834216	30469122	39112156	34178248	36497560	36748136	37183980	35984832	35161856	30944570	36548080	31573590	27587950	37463948	37227772	38099112	36784644	35439680	36943760	37670768	34258188	34371008	34926176	33581832	35730800	35636744	35967256	37192536	39948784	40211708	35907960	36524216	36883172	33927584	34308100	39359424	35705620	35037144	38507396	37245004	37475824	37265560	34024372	35378968	39351756	36849004	31997746	30869922	32570832	35502312	33973616	36285100	34203024	26674698	36543460	142549552	39007144	32561506	33940196	42220448	36362512	26575252	27249820	35073904	33385086	24480678	32057360	30172498	35071340	31727640	28183982	30182900	32856794	35011064	91625544	69389080	129327288	123748152	92982632	90654944	105758856	116743920	91616616	84616184	101772344	35600244	41223072	41641764	44981184	40545660	37143720	45456408	47441516	34572468	53144480	42019108	37231716	40113680	45189076	40185032	48486872	46744092	39815680	38497808	40292932	35991372	40551140	38650600	39170220	53769052	42832464	43590320	62509328	35836172	41951884	43469164	44799256	42012588	38437180	83641152	30371392	30444266	26886080	46442324	45419436	41649072	34220444	34502312	40114012	39349188	34035764	37484108	48859672	43961368	42084668	39217640	41579664	32660232	32548022	30046930	85974920	33161620	31600212	30767198	32888092	31002894	27569248	34122960	36934104
dihydroorotate		458074		407309	1012041	525751	399483	1357863		419333			580651	559458	1042140		582141					377291	382100	612165				405814	308098	346742			594442	450926	385947	327689	418229	437650	424232	346251	294547	347491	464832	389682	460904	409839	456125	366367	630297	642010	460533	423296	436277	461435	394809	423691	398440	586629	431069	390878	334892	414134	607335	384933	304635	342271		324214		310001	406573	279005	302415	395204	343959	388272		432026	354496	249895	434638	337536		338048	340262	278534	349125	521470		399736	401811	326940	281154	366638	425194	337944	319219	305609	376993	359186			351667	336307	271306		343863		318702		232358	366832	348811	201728	210127	197520	325121	239544	256846	470033	312184		158218		294597	303328	133206	288564	590705	304440	470988	488968	788127	541448	694939	839561	646163	833834	510275	689007	383623	640587	607604	302978	364094	516615	364216	886352	427750	776991	656174	155339	689270	489179	707351	629898	714972	1003494	737840	746757	322840	274954	247373	489399	365077			434939		369135	330620	286594		426100	203598	210248	408787	186073	147243	367887	260707		347447	488022		471470		393638	712593	857592	279503			303426	443764			286966		168002	268928		427257		392395	496920		414150	170064			413539	454694	501599	421941	346664	260225	351402	358834	496727	520553	392708	500293	345407	431555		366359				518586	410676	438825	223986	516937	286628	280180	413285	311745		206290	706462	692709	212883	354401	200848		490850			212821	308045		465052			375915		137356	381505	281834	201831	307265	378667	381720	354026	354246	123196	140993	343203	326214	332414	346470	351346	255837	268167	349133	273812	478703	139645	224199	185863	240605	327327	408945	239023	227096	414145			568794	357254	377291	307992	355981	313973	339742		302979	270973	429632			420501				377335	469066	342318	527076	556281		513995		284521	444322		446303	345321	311683	574227	2784621	380055	422825	479970	385285	524187	431883	311132	377291	404430	333718	350297	478178	392974	241544	200289	480819		289098	353995	232243	2575419	404007	280157	225405	359260	319980	263831	322564	473891		388223	288673	280594	243913	155929	578741	515510	213748	316867	400048	319095				539154	293649			449338	97963	493949	490945		725147	291970	507383	318792	579851	450847	634435	129764			488272				374493											222213	223650			262317		576941	444691				380089			
dimethylmalonic acid	723468	665601	1757342	730657	710762	826777	752058	751416	728511	628680	569579	562130	538392	776296	544747	692167	635944	599290	767485	1262475	808022	553735	457704	2029039	494605	359386	386146	438433	421325	600089	466815	429798	940596	1010727	2501770	1573545	1084394	908042	1245909	1179122	899580	956940	1115444	1536758	1788435	1136006	1698352	1078488	913611	1945117	923776	1216536	2144012	939090	570899	1933708	751611	512023	753111	613820	811283	575152	628506	833060	1093738	990512	2519621	1027151	1339220	1115981	1091370	1039294	1076436	1361773	1037964	1197159	2042506	1596434	1069399	1312660	1107343	1918801	1063697	1044351	1198286	1529351	865548	1626017	789638	797705	832937	1537357	827444	898813	677474	870403	2808864	2786373	1777157	2594339	3047221	3888297	3901365	2816430	2806521	2656990	3052213	2551231	3127904	2390893	2641724	3319428	2649663	2859529	2408192	2866483	2838746	2299497	2766389	1695728	2699039	1954126	2243672	2306401	2740090	2743245	2439281	2938611	1032659	848627	1027006	823885	1056047	976330	1482398	928963	1128112	1084816	896005	1170196	1091478	1393602	1182001	875601	1012200	964486	737444	781301	769890	638770	757188	1503644	1004037	864076	1018672	959536	1043993	833239	928141	1248290	1243809	1103228	989253	1314834	1114652	1211657	1118757	1759291	1088368	1087882	1201013	1192410	1073661	1132591	1069071	1116938	1161852	1103006	1337322	1167666	1187723	1186325	1857488	997460	1014843	1043240	988096	1089003	1196878	1075720	1018767	1580462	5498364	6562156	1133044	7306979	6225683	5584103	7594427	7349504	7323105	4532087	7248652	5977661	6254070	6288384	7356148	6266312	5793300	5789775	7204310	6941697	7889957	8288789	7582006	1215717	7363210	4962797	7314469	5719655	7195284	6883673	7586473	5628475	1026809	724469	2151021	1063592	797426	691764	1008341	1552777	867800	1365338	1089495	969609	971891	788212	1595452	503541	688819	941361	1637781	1758015	959774	668890	868838	2042366	733058	698532	681835	1282823	659854	1404279	749199	653449	314585	211277	1128889	311492	291043	229614	248071	313993	285711	339307	318919	253225	264133	316052	637394	263846	268396	238517		580103	232519	236418	260232	921749	248368	241139	333204	323634	771598	255755	280110	323213	2035560	1241797	1577188	1219086	1019392	1094719	1218793	993811	1317279	906689	877929	2159988	866384	888178	1155109	917286	1068506	1252347	919672	1978628	1090228	1085536	1149846	2372570	841329	1004404	839870	936914	1154620	684005	1038841	1095396	1377443	1652136	7257000	778557	1290833	1074607	1316558	955330	886202	1202016	1183700	411544	1023467	952364	1277536	823593	1087882	706242	1541320	2249184	915040	795567	827967	6204999	1249060	2102846	835313	1893627	1064771		1903600	867755	960360	1183501	2809431	1406518	913221	913930	1292113	2302486	1125115	1559498	1195998	1650219	1140922	1118634	1095272	1412823	1048255	828262	1057470	1086269	707970	2073663	1635461	1586063	2076281	1000010	2077620	1063826	1723472	1754132	1424578	1174673	1192292	1993380	3852902	855398	922736	2048711	1123271	1062200	1918038	1850088	979495	1113564	1038486	930322	812106	1204060	2047270	1226254	1014803	1169720	2048702	992325	958173	4143964	1008365	927608	973292	2384524	1055564	1147025	952353	947937
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fumarate	16318363	16410660	6987124	16428943	16783608	18249084	15840615	16531304	15966652	15177433	16761973	14364062	15715124	14724883	15019764	14456149	16213782	14868023	14294127	16190221	16463133	16798156	15785923	6183092	14484598	14019676	14697416	14591511	14234422	15567553	14166999	16230418	7274043	7427558	7031374	4920078	5381001	7380447	5173750	4608536	5108661	3873898	4701493	4111466	5056244	5374386	4845906	5068323	4978571	6589260	6833006	6945542	5498737	4759748	2781944	6970197	3284633	3394746	3407266	3022093	2945130	3771363	3683721	4834439	5350275	6173585	6810910	7067565	6540706	6393694	6241206	6631515	6700474	6962484	7274490	7278627	7145531	7281006	6058389	7099423	6078672	6687891	6598635	7103744	7144482	5362027	5877894	6379390	4817716	5564862	5413529	4812082	5227070	5545873	5282207	5717698	3232656	2712778	6026766	2995975	2863298	2857868	3295730	3311689	3220382	2796658	3056372	2868394	2638032	2960388	2770511	2402569	2939203	2932013	3354360	3103863	2900256	2511765	2579711	6137683	2325644	2479422	2361993	2183934	2468777	2971411	2194880	2479366	10173300	10827692	4993803	11011109	11344058	10675038	9404163	11115284	10993226	10685062	10616246	10565772	10966668	10732834	10946910	11113840	10171755	10662367	10195134	12096007	10770807	9736610	9740695	5284001	9238820	8933072	9313395	8808818	9231896	8687891	9478597	9438085	6895637	7202598	5394471	7343044	6888734	7681090	7696348	7119747	6932548	7107428	7599014	6304134	7313343	7376506	6756229	6652478	6488818	6438541	6698701	7104993	6408366	6175506	6291509	5500682	6286710	6646316	6772344	6579644	6574230	6640659	6484028	6714474	5631226	5718567	4642432	5673825	5728163	5843702	5617016	5849101	5745325	5006781	5278558	5477745	5487688	5677484	5253749	5754536	5334619	5319419	5618170	5906756	5653732	5409455	5793941	5104449	5486537	5365223	5660179	5801651	5638796	5388576	5457697	5739135	7722145	9659481	10131693	9158025	11434574	11948587	8877174	12643875	9365008	6514269	11291732	8217694	11887340	9407730	9612804	11531341	10488104	9749639	8630411	8205844	10014250	6104722	6165404	9833791	5845374	6219183	5750218	6092111	6271153	8962855	5739333	6176209	2663951	1884418	5352052	1579057	2836116	1421595	3367483	1657579	1783951	1836651	1690366	1462091	3076715	2049864	1812647	2949072	1887370	1771817	1624926	1792073	1732476	1376479	1392068	4266840	1460033	1492256	2200835	1833452	2125181	1787272	2232765	1663796	9934505	5549559	30559604	7480783	7941798	5541499	8718509	5732100	7101218	4643990	5883566	7773805	5878689	7517132	5478023	5077349	7674228	4474731	7513902	6769305	5863491	3575224	4077884	31447670	5146561	3776364	3004525	3089495	6256359	3859647	2972249	3727918	4445655	5002493	1604592	6041778	7286401	5847980	3708627	6652252	11334066	5792493	6215521	7044314	6993785	6139222	6253298	6285297	9617120	3082050	12129335	5102981	2691669	5803099	3707782	1459570	9859652	5152712	12067339	4586015	4761075	5136785	5761225	3160414	2329448	2703539	9030496	3118180	2398370	3267772	3588919	3392501	4387334	3306484	4212026	3685100	3097138	2802942	3255644	3225841	2125326	3092704	3009682	3092353	2354631	3373681	3140038	9885704	3251322	2759893	2968139	2631687	2893198	2561074	3103798	2638706	5982440	8224400	9853089	4453290	7997101	8380780	6182204	8738303	6137946	5538043	9066342	6052392	9302486	8922162	6509426	6249562	5290173	5679237	4940356	5916355	5293745	3463148	3489852	9851447	3213818	3018403	3080660	3301029	2923968	2642932	2823422	2764767
galactonate	68150664	79618632	124777272	46278452	41560520	72667648	83719592	49181556	53396488	62243536	78482112	91515712	78605560	53154428	79383736	80693040	47524544	66095120	56906572	74684984	83315192	4705402	10731846	169747744	9810574	8912802	9259602	10813857	3164815	11975130	9688729	12408469	63989232	107744912	101671296	50064616	53696108	57339088	63163476	113253464	93063104	103567824	50424424	63193356	57723480	58808436	55515844	54621348	117081264	129088456	69247816	56498700	61483592	8107440	16415396	135719600	15028530	16477865	15209345	6050524	13210045	18374292	16571784	16609196	140890496	139901504	122932456	129084192	156955664	141358384	142884192	146875424	151424336	149772928	151804032	162017680	170177120	161418992	150355968	164483776	149658864	147224384	153864304	144851232	131822224	24875342	23031986	113485280	36805444	30943616	23056422	36603596	25519246	27299462	27219262	27080490	113878224	116274328	116320232	118833008	86451272	98791328	119567912	123530664	102585192	97847336	121989664	114382328	151424016	120232240	112079800	138955744	132015592	115713432	113419224	114281200	148765200	38932688	26869256	81249320	19623694	37316968	43306960	35911788	27701122	39022004	41879408	40287760	207160624	153612928	185066416	163721104	213197520	298579936	309360000	286417888	326088992	334568288	172094576	290880064	173076160	307463360	311967200	172061472	158062688	172081696	305982976	158639232	295030208	29188028	26670980	100000312	34241088	39412876	36719260	35738820	44255576	26135842	27492108	31137918	65997528	64370096	113710480	64986496	56754844	64043280	61609232	65125612	61504776	75716456	69309648	70867272	80293752	79256928	76304464	73802888	70125688	75087384	117414264	141560640	71048176	16989172	17977590	92590424	25532396	13210644	33272174	22117098	13527820	28583814	31204672	23322128		244971456	255779168					15711716			247618256		246723008	280968192		282237984	214855328	24149190	22269900	271528576	289158592	64176448	15993801	242527760			21746990		21645428	59203756			70621208	60737128	58447460	90182128	117156416	108811440	73733792	73613560	71294248	57346936	84778792	64640748	65041816	54207276	44503448	62151472	71459128	80702976	78678400	60435748	57544732	8388193	10552499	39681040	10355272	11112800	3379490	9343839	9962494	5539828	10362294	4906015	101658584	94199056	222671088	125905312	18948546	93223264	119617120	120943512	37098800	40845548	126678344	43121012	107183936	59303544	152592912	56030724	150099504	133915688	38011464	109259352	48386292	11251440	2749787	231256352	10939221	11907444	11638970	11756977	10423527	11766562	11659598	10429565	89902592	82228488	76528256	53881280	75743072	76783848	86523496	81653600	94928376	76065832	73568440	80581600	50737216	77211000	70133552	71952824	46834076	54494028	72667760	71781904	68188336	9468008	13496999	148693376	14215501	14163155	4943828	14934159	7277008	15746832	13204072	14222556	99405592	150769120	720933696	171299264	149304064	65261336	92195128	107854688	93329776	160639312	97007256	69328416	168995744	170520144	88766840	67584928	68047952	72587040	94527808	79297768	65504032	49463452	12102768	22668296	20602020	37862536	10937004	23096666	24564952	35999196	17284296	28417096	230199696	213179008	116321392	209607408	246333104	260050912	194349600	219705792	255934704	216428928	216199152	240856864	289214272	285723296	292429824	251901296	269640672	276751872	277874176	286102272	278682368	25350888	24368066	86563848	33418028	37243060	24989236	36505280	24471318	16514138	33269394	36531484	113968064	91595728	966899584	151071712	95329456	94159376	70957728	99111512	37865816	93864344	69610632	62057556	82045856	138406768	80080560	131235744	68725248	35574960	90208440	83988512	59501668	4612880	12970869	629374720	6236490		6057735	3608439	4990604	6983354	13626750	10295271
galacturonate		1185878	1570626		176463	1492398	1424838				498039		151525	1369074				2696459		783512	567596	1852469	2329625	2039705	1643476	1344227	1314954	1578800	1421061	2191687	1184876		399032	910004	8951767	860095	4756941	1020858	419738	1243126	1337276	3721623	770206	3753139	706193	941342	608393	617576	479226	1151243	1018083	666126	876773			7569510						150532	54342	41750	9199485	14082635	6543092	7317512	14140460	9436117	9254125	17165448	15225809	16443008	17757576	12334229	18208220	18940710	14836418	19344004	8972590	11439275	12346519	4760912	16584982	1889548	1816751	7283804	1642653	4256476	3952537	1957061	2115351	1409748	3469541	1756308	15122950	15542264	2331113	18566298	15461177	16436177	17025488	16570869	22205310	20782302	16415332	18536604	12761716	12686670	15156124	17375040	12881603	14311210	13956870	20646180	14036582	3599564	2856018	4306341	1408127	3591724	1594406	2900443	1654099	1793262	3566925	2510703	11596066	12709568	9441642	7872821	4700679	6959616	8767208	9776877	22765566	10664266	7532930	7770644	11518242	11295290	11255405	10742945	10135003	9112195	12123148	11127667	10801312	1255241	1363085	12509482	1822931	3680873	1415482	1863542	1963352	1472126	1781143	2769336	1230919	1293096	12808117	1653370		5864167	1251169	1363033		1710510	1971244	1069243		1356320	1512969			987657	1443409	3685829	1114573		1251716	8537360								2767687	1844270	2680406	9656941	8204230	1828887	1761604	1652707	3456451	4355325	3044998	2598763	3295970	2846369	3501828	4279630	4403790	1984770	1990482	7465426	4080248	2878231			5918799						1371942	1299567	1127476			15153139	2408422										2761018	1849660			2309451				1408488		9969153	1387188	1630576			1649259	198568		1221054	2703699	2856365	11656963	1764350	4693974	1537755	1686422	6674980	6815540	5362053	1813910	3815295	1156194	5186620	4614230	3617204	4123161	4448075	2207981	2195346	2648283		365233	9444756		497595	535938	314495		655252					3962163			1478893	5288391	3201386	4350714	2357582			527110	1018103	3072767	2599794	2034954	599238	4485722	3335167	3463619	2206162	2944742	5729212	2346818	2919497	2673666	2325409	3861895	1485737	2836964	3466580			27627726	1168283								5249242										2463127	5537322						1296561	3944585	2878231	595380	7082183	8185977	10219410	3386236	4044901	1985523	1976085	8747839	3532688	5110654	4016315	4318068	3358947	2615592	2915535	4702628	6887043	6211476	3412724	3081580	2154869	905760	896605	8870086	1375908		581625	749631	2345102	2840926		3024588	1253047	3510129	3001051	2932081	3083843	2727483	1929632	1891079	3612431		3140672	1937400	3087910	3339955	3265571	3308158	2975041	2869326	1244626	2930186	2887135	2081224	1012682	4335910		182379	1195513	1305239			1059787	712510
glucarate (saccharate)			3229271																					1457721									848857	1077197	1094686		538466	947955	295783	939777	523911	815354		288087	394489				482842	619564	443618		196901			3930884									1963956	4056901	4805101	2705204	3840329	1686726	1683968	4113565	4492255	3940493	4473124	5831286	5013865	5559928	4042107	6432336	1604696	2623707	4065732	2451451	4726424	4605996	4469260	5280451	2522990	2309432	1802850	3114172	3787479	3022632	1965975	3137920	6838425	6890446	1554126	5630201	5060102	4175544	4895436	5933943	4061065	4269091	6743036	3418094	3390865	2018325	3203584	4168725	5391839	2836639	2774921	3090619	3337389	1646387	2574874	1910070	1783646	1438424	1519495	1934907	1912476	1678954	1259294	1729463	4869594	2088202	14073175	1634187	4623997	3133892	4322743	3480091	3936410	5594823		6036008	4082709	6508122	7582120		4535384	2573876	2989046	1401183	2585970	1154532	1706155	6136623	476202		1783804	1603051	875563		1330701	1232141	2622515	4268969	331023	355234	278665	201802	191162	354862	275208	912434	1100435	3324945	181913	203467	187059	246825	1505231	185264	126041	370397	1658469	130129	283994	4429886	120023	269553	178626	137646	155321	147424	103798	131535	10540601	15728865	10991816	12641528	12698592	12390899	13465267	11128157	13554530	13668759	15779960	11660488	13693621	15799175	12507857	16083623	13405307	11424738	10405405	13667670	14080967	2312446	1891405	9643998	1646903	1641190	2026713	2356360	2253217	2161146	2092203	1599733	3227111	2969552	13450967	3212929	3598763	2884054	3804243	2839838	3021672	3718860	3403681	2544968	1999073	1812737	1149300	2271574	2495832	1623220	2448631	1771976	2238025	177962	143407	9082933	140252	178802	121323	124210	185508	115685	141629	146305	5783245	6778313	11180553	7335841	6256574	7030116	6062635	7120963	7391570	7069008	7671688	4953966	4759272	3845876	4279519	4402175	4252740	3464929	4286494	4923582	4176208	431186	156203	10749349	258769	222825	249872	297467	125401	296164	244000	92598			2828377																					2783183											3070029																					2541531									6945169	5761574	10057547	4465409	7383552	6252228	4950189	6473935	6809726	6521814	5886718	3288565	4150790	2771722	3657132	3840240	4742817	3702818	3306826	3300386	2466439	203180	166671	10590195	95374	152244	65177	284197	135385	42252	61242	122383	2179467	4815154	40054964	4046834	4013577	4464983	4489192	8394365	4931342	1888124	3023525	1603961	1492623	4420132	2805780	2690709	2407939	2520099	1127784	1351055	1545522		489998	59514328								
gluconate	993344064	907938048	2385879808	974076544	1042290304	1021066688	881197888	1018996352	1036394624	764008000	683765824	897846848	882984512	885251648	799034944	823970432	957900544	873444992	925808512	895532928	926388608	58957640	44401960	2387783424	45927800	38161496	37961180	48415584	40275212	60195592	42926744	58923692	2266690304	2305475584	2143772160	2208308736	2280476928	2345663488	2213491456	2351677184	2211393792	2183721472	2070825344	2140507904	2112695296	2072144128	2028125056	2055045888	2214215680	2343261440	2193580544	2042708096	2166887680	89299440	104334376	2264295936	84396928	100002408	93592888	83121168	70793528	97724464	90228104	87221080	1073286144	1140493312	2082254208	1096466816	1192553728	1077941248	1070550016	1295066112	1230762368	1283118848	1265368448	1285685888	1273286144	1252604672	1230671488	1406302080	1109057920	1168345728	1175151616	1148747776	1274109440	76965584	72540120	2141991424	80750432	85114432	90696376	84018904	78438056	78823184	81546128	78389232	2479750912	2482732288	1896766720	2545272832	2492178176	2547503616	2581318400	2632142592	2558609664	2521625344	2531235072	2406171904	2575000064	2489986560	2421995008	2532513024	2369534976	2480680704	2486252544	2490580224	2546851328	288832704	316574848	1963150976	292912192	297277696	303992768	300262688	286365376	294308512	287936608	299473024	1121434368	1140518400	1293396992	1257809920	1065055424	1080062208	1149431552	1150474752	1256171264	1152286720	1177691520	1187051136	1308810496	1285562752	1133215360	1218263552	1235902080	1196355328	1145811584	1179169408	1158192128	100542208	115366144	1390336384	87976000	93155880	91336200	95471544	104574576	79187808	94633648	93288080	1790703360	1874503936	1599353984	1928862720	1818605824	1927935744	1909557248	1908713472	1807113344	1832985600	1853987968	1722203776	1930599808	1987768832	1889366272	1788157696	1757995520	1791368704	1953212416	1843471232	1787038464	165583776	165692368	1444645376	172435872	178529952	162352112	150518784	156494448	181573536	161395232	184589216	2276627712	1993954432	1084090368	2117919104	2167287808	2169969920	2375139072	2248267008	2160069120	1986716416	1964353024	2458437376	1952661504	1772853632	2166635008	1875838720	2335049728	2469322240	2225952512	2024545152	1718539904	535496800	464933952	1051305792	557137664	556658048	517909856	541506880	617151360	649336128	540085824	583674048	1220547584	1142393728	1678144896	1035123584	1238893440	1144613888	1123251456	1165059328	1070574720	1238791936	1082273280	1055947200	955411520	987875712	822115392	1066445312	1219544704	972255232	1050868096	1019704640	1066961152	68732960	67130048	1605820288	68356736	70320040	72783280	67688784	68631112	69572960	68275312	60742560	663763008	800368448	1160331264	792997056	841685568	848045696	670786368	735699456	788666880	773517376	786761984	838578176	726083328	694797696	772685632	843417856	694256896	690440640	791703296	820854528	679287168	54343780	58409560	1232186752	43103960	44545224	48342976	55900092	48317356	49284628	45574508	46789712	1100945152	1142514560	3336578816	1204271744	1164513792	1086931840	1181335296	1336065024	1301805056	1072767040	1060651456	1149858176	1099200512	949740096	1047641856	1062706816	1066075456	1104579584	1125932416	1021879488	1031611264			3412159232									1084316800	2734610944	13319991296	3250599936	872906816	2273446400	2793955072	2464422400	1197579904	838484224	1907788160	2609264384	858610112	1102762368	864379200	2399298560	1794989056	1605982848	1059292544	1339174528	2903159552	334559456	100691328	17716895744	229266768	287602240		211401664	268183936	330729024	136253872	205677872	1722041472	1349189632	1564328576	1228208896	1825298432	1776642560	1272914688	1429915520	1829014016	1419115264	1325197440	1365257856	1779158912	1591798144	1662670464	1333289856	1743386368	1744531072	1633848576	1629169792	1689359232	178161312	165625280	1687066880	168533376	195913632	160018432	193305504	164212016	144710704	163543456	189610528	1253800832	1164096384	7780903424	1126805760	1083505664	1050033984	1304758016	1338194048	1066881280	977709248	1066111936	998026240	1080197888	1012739456	1010961920	1107371904	1098152832	1143114880	1145358336	1169797760	1009018496			7502019072								
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glycerate	14030758	13073759	21577576	12612296	14338819	14997077	12864612	15329579	14446643	11566931	12611192	14334806	13295883	14289784	12911183	13268894	15302566	13703350	15195973	14111080	14934730	18235932	16978508	22103482	15204728	15806994	14950460	15810559	15811302	17947680	15483449	17753036	36226196	37256924	20110178	35821828	40546472	38184236	35812924	49671252	59113888	33443000	37241508	40677104	40666876	40310140	42967776	39823852	41383100	51691624	51881572	42854752	46306016	35853172	33991060	20825152	36552648	38345996	37865220	34032476	39287848	36680836	35294068	37325408	16105759	16549287	19238522	16972578	17635608	17285944	16330532	18002442	18061384	18167860	18598934	20180464	19954222	20197936	20070242	20562346	18888254	19626624	18465136	18689570	18030578	18958974	19405912	19075782	19343922	19854374	19434562	19458846	21293410	21998044	20483012	21111898	39023120	37906300	17819140	37709808	38500320	38786504	38495228	40568420	41179524	39811524	39626140	37642084	40052388	40190460	38432024	41618420	37482976	39029800	39394200	38350420	39081728	39171280	38216204	19985374	40159872	42155456	39151724	37808264	42606824	41653332	41377388	40388880	22183458	24881442	11515398	25142256	25500504	24899320	25469254	24849060	27111124	27562114	25279120	26626932	28334170	28026654	27535126	27105330	25977778	27000560	26607936	26343174	26566000	26900388	23657246	12465130	26907038	26158084	26475094	24932004	28538988	28391010	27456590	29365446	39291936	39378188	12029267	41348912	36943588	39581576	39276680	42545840	35727524	42181364	40165432	39113580	40667212	44392712	36944960	37127712	39809588	37607396	41651380	41714724	40238344	40723728	41414728	11160645	41464620	43407692	40203780	42988196	42541352	39648632	40402708	41888204	20210896	21356866	11615470	19231320	19863704	20268192	19333078	19877358	19554500	18349644	20634412	19513244	20206408	20150194	20392668	20413962	19695166	19946834	19926416	21289922	20391426	21212102	21058720	11682607	19514962	20595624	20375704	20701532	21275644	21193206	21174658	20140578	13829136	15296111	22087756	15596738	15333952	13576315	14710585	14619109	13993561	14062796	12860161	16079317	15750436	15912080	15026972	14776745	14439613	15206206	16378297	16139669	17325000	16400385	16969598	21907948	16746256	17254144	15839933	16259940	15634196	16616449	15150291	16658571	7985324	8415996	12139405	8765857	7642781	8148378	8317992	9850828	9759747	8964794	9294686	10120759	9369464	10737332	9620857	10000928	9437029	9215303	9542966	9870958	9008047	9316691	9749702	12811559	10259615	10760966	10294794	9859428	11852312	11475820	10616547	11296652	19556366	20093244	46768984	21638148	20355214	19618814	19606076	21419410	22418086	18790034	19656944	20598702	20381260	18767174	22308550	19147336	21851560	23595196	22412434	19169836	21687752	22251280	21965884	49023540	22891946	21455296	19869582	20985898	22585334	20980394	23452676	20046806	19668962	20600258	50694500	19375240	19720428	18500814	21226156	21943766	18676666	17213364	19509184	22083848	19592456	19880136	20249562	20636888	20821702	21179152	21741672	20945932	22570152	25211592	24632496	49328240	23093752	21987418	19660606	23812116	25745392	22114456	23524826	25701176	25883084	25231120	20497362	26428552	25341396	26718680	26561286	27495648	29866222	26202716	28317212	30478318	29828418	30459404	31404230	30229874	27579846	27239876	29360980	27834322	24477274	28380240	27492804	20415142	27655520	30806632	30052528	28223214	30323250	29164796	30350542	28351852	23779926	21199198	46558436	20284196	20262586	20949190	24938866	24880176	22836794	18533338	19667500	21639706	22089312	21206112	21056550	26245052	22845198	23309954	23352416	22827084	22316620	20168364	18672536	48619200	20860690	20244116	17329716	20501292	21152818	19268154	18519672	21290078
glycerophosphoethanolamine	1776591	1599655	3466602	1628269	1075885	1699172	1513235	724911	699429	1521730	1121879	1545854	1553524	1376804	987431	1534658	1613987	653410	625872	1558050	1036745	1666786	1426198	3767380	1561744	778889	1248940	1426634	527638	819319	1438251	1284013	1827456	1851530	2526432	1650539	1517770	1735230	1678120	1634313	1403090	1695772	1519547	1668298	1744550	1590304	1447682	1523971	1570318	1553147	1382585	1668095	1538034	1328054	1397451	2776927	1356554	1346353	1374209	1337122	1092839	1136032	1242053	1104865	2854050	2484207	2903763	2520256	2938451	3086384	2774720	2384798	2729824	2712826	2810777	2722391	2855495	2691736	2502780	2614204	2797563	2494688	2664633	2614540	2237944	1593830	1525333	2801344	1774721	2058400	1947963	1594961	1783403	1710304	1963420	1745296	1638127	1660146	2418410	1683863	1902786	1753674	1537342	1773772	1731500	1829635	1873109	1647443	1566692	1702007	1644172	1589398	1471316	1489210	1670639	1619448	1565797	1160721	1182400	2596359	1191371	1279199	1243805	1178781	1273260	1231005	1189145	1129380	1619954	1499257	1394764	1593688	1511401	1538668	1519769	1522763	1572739	1633740	1626310	1556082	1481895	1659821	1546181	1490251	1421896	1396710	1400576	1454359	1446549	1024836	974437	1443163	948945	1035319	1031073	950241	1053079	954712	976916	1012651	3181682	3009368	1490994	3100438	3084060	3244554	3110100	3133453	3073376	3171023	3079885	2975875	3044316	3067071	3110803	2981922	3018428	3007384	2944579	3029044	2928708	2561553	2537743	1427636	2633597	2503051	2537899	2413250	2501804	2568749	2474272	2509457	2625847	2763818	1550909	2843064	2735531	2839035	2658880	2722134	2892613	2833854	2742309	2896551	2717514	2824105	2852038	2705310	2862995	2775911	2737049	2858738	2854443	2308654	2219330	1505537	2004892	2122684	2124457	2231593	2242208	2213157	2232864	2171574	3218868	3121630	2116241	3161942	3156406	3112344	2998013	3043215	3037640	2704054	2974998	2880966	2840382	3041256	2899820	2743689	2832968	2931326	2976793	3082705	3266661	1723896	1708385	2247331	1653398	1632967	1642876	1592724	1513792	1627484	1566055	1620918	1057009	1136925	1545494	1111961	1072126	1057738	1009138	1103236	1166228	1153564	1115296	1128534	1061017	1104287	1068291	1125984	1015118	981591	1040248	1091316	1064879	584336	589668	1519838	588805	566844	609549	617185	603170	615977	588729	573674	1819844	1771662	4799655	1676929	1538951	1767111	1694499	1681613	1764962	1790643	1552131	1798018	1641464	1603983	1668201	1609659	1552615	1432370	1511135	1636819	1719033	1164018	1159784	5440145	1125897	1080939	982319	1015828	1138530	1015484	1132129	1054476	935752	1989633	5265302	1903185	849326	2110779	2302375	2183525	1236801	700076	2016745	2022310	568949	1393949	834743	1906249	1639358	1473228	1364852	1406339	1962847	1476040	1552252	4564102	1707052	621388	405346	1574284	1655499	485899	1680548	1649883	1333625	1473059	2097293	1381817	1349892	1445584	1437969	1506539	1342208	1493902	1554425	1479209	1458177	1274415	1497764	1623397	1377924	1347408	1314389	1425096	1366496	1136119	1104279	2098788	1174444	1065079	1187825	1171175	1129318	1102075	1149501	1064133	1587088	1963960	10970249	1600706	1669951	1699028	2043291	2085880	1761211	1514910	1528939	1848215	1719273	1542889	1634389	1836847	1811946	1612936	1622926	1795491	1455178	1193849	976178	11532954	1004443	883375	946550	987647	812004	815633	1079979	998137
glycerophosphoglycerol	3589574	3087847	11283752	2538758	2522353	3016993	2665859	1760268	2505281	2230516	2823183	4056160	3498903	3412549	2679949	3561631	3523896	2582625	2698741	4025727	3072956	3352411	3725914	11535286	3625076	3403602	4406100	3244601	2506634	1847180	3761165	2692780	13187709	13977703	8681307	13698377	14264599	13850678	14340890	14890737	13659069	12720430	13801287	12558436	15000319	13303693	13634583	13361528	12091932	14003536	14729517	14037196	15368333	22909466	20395050	8452264	22636598	22423346	22423538	19315612	19973128	21285666	22802082	20862072	2568189	3253139	8156589	3462096	3849489	3025010	2676457	3431334	3561556	3800431	3713557	5210725	5359201	4740048	4091502	5063695	3729625	3889897	4437450	3916477	4550928	5253093	4997682	8112963	4406809	5102850	5944016	4594282	4987142	4977533	5578402	4958813	4700309	4400528	7210242	4372892	3531824	3648975	5218731	4795619	3851697	4062619	4547113	3856258	5165027	4503365	4132473	5373873	4887868	4236172	4428168	4557643	4963873	4727343	5258793	6690856	5959587	4858318	4844831	4608732	6075881	5894229	5108548	5516121	1661777	1730513	1728459	1865523	1885802	1871269	1560814	1733561	1999097	1824026	1667356	2073711	2020153	2003558	1989727	1882165	1725326	1943501	1787463	1778057	1696307	2600460	1990684	1451901	2474247	2586294	2418655	2316737	2659659	2338762	2568261	2748334	5398971	5142114	1455835	5011760	4571390	4925284	4681911	5007020	4593739	5648707	5351191	5338095	5235199	5828667	5323740	5282089	5575836	5187420	5044756	5453569	5790375	12909943	12891084	1565322	11389319	12335673	11333897	10961505	11673083	11889472	10764001	11651261	4984031	5407249	1682826	4994820	5016426	5586505	4769575	4697815	5187401	4629078	5285956	6043509	5540276	4658151	5794412	6059649	6271500	5909234	6024882	6139633	5098609	9604120	10172677	1733098	10416930	10474578	8183054	9485597	9619087	9364762	10506468	9809629	4963114	3895219	2834191	5266822	4205876	3701291	4980152	3972860	4822245	3066755	4654870	5575965	5540724	5920670	4769485	4697904	4621217	6009501	6121612	5265691	6407512	14703259	15321944	3018899	12342503	14299384	13266448	11205098	11593960	11823678	12465629	13087577	1957853	2331796	1672443	2446689	2241377	2371020	2026494	2258888	2298000	2315547	2275133	2644656	2381302	2417348	2256204	2576378	2340661	2239328	2360107	2591634	2019222	5688236	4786679	1431009	6363092	7465734	7010573	5859367	6819389	7451730	7570072	6375720	4394045	4941288	22027244	4609577	4492310	4534859	4431186	4868372	5021053	4113487	4673579	4449123	4484857	3888704	4385742	3496793	3732274	4793811	4275208	3988720	4352171	10954736	12300179	26633156	14689067	12918536	11797473	10891238	12320367	12708114	13164528	13371949	4803097	4607940	18542762	6169318	4664293	4648766	5612311	4479765	4637500	4982566	5740173	6930343	5094251	6322266	5806485	6677442	5246454	4523160	5254722	5770206	6663561	1563356	1962952	18397562	2026095	1141337	1267812	2087015	1786963	1412303	1666526	1753317	1585929	2545742	2504829	2592323	1830432	1754796	2526179	2916226	1840175	3069266	2927450	2792648	2142330	2219838	2530637	3241165	2176788	3805448	2075972	1825239	1841057	6253299	6066016	2073943	7512140	7553885	7772960	7737291	6988744	7042621	7458420	7605341	4702520	4228528	19823434	4221490	3952370	4183490	4680159	4722326	4427912	4034960	4425986	5259145	5060962	4254370	4733669	4297114	4128945	4733721	4697938	4624498	4810857	17076386	18941746	21398384	18989882	19988412	16645333	21563090	17516336	14964940	15922723	18922522
glycolate (hydroxyacetate)	472962	362496	3140164	209696	289416	231516		249630	406942	161084	389047	387091	267422	261524	378753	613959	384307	705196	609706	707144	725484	414892	517095	2684098	466383	553106	588396	368027	424270	512860	450905	420909	8023420	10508106	5055354	7172212	7646257	7445538	8137994	10077470	7323985	6491199	10745210	6773819	7742651	7883912	11448386	8048564	6896909	8288538	9104080	11852377	10004274	8498385	7686562	3374406	7866256	10027851	8252414	6975572	8413193	7533956	9737801	8507265	609610	766382	2975322	998543	919200	953991	536302	1088028	1025834	1116146	889081	1208138	1323090	1147735	1499511	1524784	731286	819746	817198	791732	1547397	1505335	1961384	2986455	1498170	1366256	1406250	1391961	1552032	1705254	1170260	1241164	7168767	6643886	3474228	8004880	9465994	8237493	6825118	7809582	9851020	9625817	7245215	8513696	8388322	9313638	9203790	9947182	7743368	9742846	10268316	8865599	7304190	9108116	8823354	4632562	8073971	8481880	9939157	9455537	8950491	12156993	7888606	10544890	2396788	2037176	3715092	1890832	2329724	2823313	1874560	2846105	2769455	2860727	2627117	3987692	2511777	3681391	3209319	3553523	2254080	2235360	2136160	2310325	2053219	2212384	2352122	2612738	3026555	3246014	3062146	2890244	4220983	2321539	2470567	3279475	4017879	3186231	2473677	4079718	3981310	5603329	4136560	4825639	4935462	4846597	3841439	3077505	4346225	3204752	3722161	3629528	4491869	3636019	5025835	4672854	3880123	4196173	3469337	2694759	5580325	3897589	4585807	3631828	3980985	4409473	5385759	4418223	6479602	6413006	3862504	7598115	5916448	5780565	5648258	7825912	6323172	4807445	5453263	4792104	6695753	6150635	5430292	6605672	5759358	5897636	5913416	7841787	7347826	5925218	7749880	3585504	4779761	5160800	5862417	5508735	5506082	5517612	6774324	6614500	1071870	3285698	2510440	1055505	1665679	1719962	1008029	3631766	1019492	816402	901439	994613	1415260	1402156	2558857	2980626	1745792	3687342	1392709	4178837	1262332	3463114	1307483	2511128	1461112	1608892	1693880	1161027	2510840	1000687	2951262	834182	973434	1183492	3078619	899376	1043424	756325	723737	947674	995783	1097410	1021764	1023231	796291	1279846	902596	1158586	833662	1240883	1098647	801194	845993	1198023	1419865	2883544	1013399	1036873	1070187	1130954	1314267	1313660	1138528	1078666	3029569	4110890	9903853	3100032	2717224	3916378	3096584	3675762	3109920	2526130	3436254	3546079	2691543	2863485	4307055	2880671	3884303	3865038	3435382	3380101	3872463	3241083	3866215	12209897	3425163	2812593	2999643	2739355	3368712	2954258	3647148	2857253			3908701																					2840111									2956360	4342641	2840087	8617299	3473024	3227645	7423877	9026378	3853785	10028953	10664778	6570849	3925244	10017136	4378196	4403170	4200243	7434440	5544599	3650928	3716008	3626697	4283733	2737979	4078644	3985612	6145446	5777772	9746845	5179484	6687947	3794413	3526663	3373883	57850216	2628650	2943503	2704963	4332520	3899718	3822721	3133212	3004809	3556714	3169441	3234398	3393551	3306341	3028382	3916300	3399093	3534233	3323616	3088419	3466523	58468112	3356240	3596004	3307086	3057732	3374929	3232752	3595958	4292679
guanidinosuccinate	3506421	4040082	9845788	3753172	3719279	3749681	3530328	3728846	3550733	3496491	3440473	3309879	3585814	3635782	3685046	3187507	3851672	3963138	3620179	3712480	3557988	4211685	3944858	7254829	3172412	3548647	3704452	3439061	3615670	3854558	3409878	3589592	14487025	8498072	26259652	15264058	12594433	9396626	17638698	9181902	14529109	11467065	17658742	9148362	17083714	17012098	17223936	16697807	10206522	7328084	17535764	17880754	18336946	16499075	8121419	25473924	15821518	7411536	15880480	6584342	14937305	14428127	14458432	15190262	9127748	13789895	11187341	11030608	11744912	9833770	9151090	23486836	16906732	23152704	18834682	15248875	11906578	12992738	12906180	22244774	8922780	10261862	10417156	9925711	25940724	24224032	24409212	15752486	11203490	10017918	10241983	11651575	12966263	12437100	9677340	11165177	32418958	31863406	24466468	33226184	34711964	33997328	31973440	33000426	34839480	36384684	33973028	33655704	32780774	31825342	33731280	32010364	30339920	32076958	32265100	32863930	31895536	30117246	28904668	26661370	29745892	30242854	31334678	30954058	30212238	29970034	31209628	29678736	6890223	7281261	15955262	7300102	6716283	7176120	6464883	6399311	6802811	7111701	7489292	7144821	7519023	7315238	6867850	7586802	6944466	7219436	6841295	7018405	6991097	5095002	5323866	16816634	5182825	5469456	5594527	5353603	5453676	5230758	5351756	5317966	14009358	13772825	17882508	14326868	14662313	15162174	14766532	14149920	14518162	13988415	14039235	13130544	14279677	14454159	14448880	14279960	13122083	13752583	13999151	13581941	12921142	14600358	14058673	16382608	14420321	13592512	14826311	13253421	13529213	14392932	14278167	14222304	45581056	42507272	15680033	45717040	45434724	47135692	45279516	44376224	46688280	43474440	42227864	45945652	40778312	41445216	45660348	42121124	45892724	45135328	45326656	42456132	41566344	41428800	40097432	15182657	40919772	42222392	39289664	38873892	40485048	40659280	39577296	43452604	4788054	4813812	13087692	4534733	4915993	4790520	4571572	4933028	4548166	4465207	4467020	4410713	4282038	4331492	4194355	4414579	4623091	4383605	4565864	4853808	4700661	4019904	4035372	13718796	3866541	4006574	3872098	3695778	3746784	3708285	3764774	3916062	10394481	11570212	15392811	11249522	11349480	10746021	10044180	10710320	10864947	11024463	10694312	11307664	10513258	10484511	10360780	10742662	9870413	10028698	10881132	10823858	10051231	8726284	8412820	15749868	8818835	8768187	8973733	9125120	8492674	8972036	8652732	8530911	13643601	13999206	54323404	13286863	13993709	13272126	14864147	14498070	14686991	13565952	13752301	13691881	13929164	13300347	13839463	13671275	12390552	13482286	13216003	13747622	13253804	12550981	12693016	53939968	12469323	12288106	12270701	12140103	11842464	12096410	12391582	12672859	15587901	15559972	57150292	11749428	18831806	12826997	15533313	16247865	14381661	17121368	15592971	10370508	14695607	13994328	13667993	13114640	11147856	11296199	14941738	11549133	11117831	11667346	9756061	49086236	11549689	11073254	14557176	10200582	13868764	11631321	10131835	11906266	16701148	15110342	12686291	15100590	17488500	17147722	14977561	15679013	17246776	16579771	15732043	15193770	17078238	16799884	16983210	15379584	16645219	16308379	16474484	16161320	16685636	14238395	13694940	13888147	14612081	15119839	14793777	15452608	14054069	14456547	14351492	15293624	14176474	13406039	35519128	13027733	12889713	12958983	14584416	14064059	13897064	12823620	13070424	13376594	13843316	13447184	13493200	13796351	13657465	14161406	13700502	13855945	13355702	13512156	13170454	37823896	12642372	12046737	12504297	13020219	11917487	11631621	12684105	12750635
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hypotaurine																																	409475	297352		299073	346064	405967	360141	311160	241951	352534	369979	236009	211666	326855	334650	299301	257360	271220	425444	328327	339986	345439	332234		267573	310152	336094	281802	313113	309962	287415	289361																							48321						42731	66783					129025																														258852		475397		310057		224866			344583					258273			153527						259824								197259	391427							292318			277790	234880		255876			246451				292344		274565	335698			412431		349623				804698	1106581	508543	574769	812299	676686	1025679	687261	586130	550812	1201057	601713	948729	1064578	864659	910968	618503	522740	823950	926158	1049035	1001583	1273172	421534		623965	1024385	951050	952474	959431	713405	553455	69454		239781	102254			81877		72971			73990	74147	102596	48558			81434	70284		76474			279288									202008	177954	276387	275191	167257		172788	235594	190161	250158	234823	245305	115870	144470	197134	292055	219757	301437		184796	195070	92268	165903	291011					156184	88998			270121	288483	427821	250167	339704	227516	358017	289296	310057	240945	381085	357543	450305	374061	308102	272883	286983	317933	245016	390397	322004			619812					83245					447209	1949173	436945						274484	334642	485709	254381		365571			310057	313516			292252	412737	1285508	174156	257559		214152	264866		246230	263771	343878	418498	216770	369028	316981	349153	323869	354455	364262	372627	401581	378352	362861	350852	348313	373439	351974	296815	371287	330095	276057	315393	281484		272741	242870	367455	197331	341616	304721	375791	221571	355450	343411	65414	309714	341048	282103	357441	366183	338579	342374	351107	340030	310400	300541	279820	339272	341543	401096	386282	359393	335560	301128	237578	114576	253979	277324	297433	263580	285766	259837	285379	306493
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mesaconate (methylfumarate)	6968554	6704467	13689422	6465239	7019180	7039590	6275250	7015063	6276282	5745001	6345695	6273726	6409388	6039057	6015079	5925196	6585590	6514509	7247775	6481019	7178535	10137096	8939730	11958590	9079015	8732951	8430887	8252297	7684489	9181795	8677665	9766257	6046607	7967417	8679051	5826941	6936180	7560990	6019194	6562975	5944475	6817946	6461825	6710802	6463942	5624946	5348471	5169261	6425895	7172988	6770623	5280816	4997792	5596230	6584864	10302955	5328850	6570723	6068719	6129442	4887596	5769343	5453421	5423917	26095064	25116806	11217030	25638778	27905664	27065260	26595252	24380226	25053646	24659994	25831826	25962558	29827204	28271238	25860412	25197702	28313580	25386020	27582342	27677968	22726474	27190372	26962500	10949386	29290972	29812852	30109786	29031178	29560564	29666634	29844516	29750210	13862358	13953683	8567788	13383588	14792102	15372359	13618947	14477710	15459990	16406314	14494325	14454621	13243241	14469578	13558167	13457402	11949512	14153547	14270675	14192898	12798889	14011053	11675732	8770741	12098245	14733752	14257232	13304454	13282659	13256996	13944412	13048558	10286544	10845649	13656756	9939666	11154442	11146858	7206467	7645318	10646635	11770046	11055279	8037456	10547223	8367055	11322055	6430261	12025463	12663831	10733268	10483912	6385357	14650462	10626525	13900667	6984359	14865523	7286324	6793129	9707087	13185741	15443618	9359839	10360420	10665092	13882570	11174493	11056263	10316548	10719651	11267223	9778528	8640166	10829766	9461808	9479653	10879443	10479302	9768202	9988008	9762429	10681713	10713356	9798871	10599977	8402580	14118788	12074524	9518580	12291180	8869195	9179454	10625814	11458820	11276904	13465185	12831250	13778486	12180146	12822546	13490489	12739875	13909093	13066062	12247922	14172205	12527329	13503566	13202423	11439007	11724461	11629036	12608423	12680237	13221065	11321719	11806067	11890871	14568380	9189140	12567441	10738959	9366552	12063538	13319316	11254814	13230210	7719645	8052711	26740940	7753726	8813619	8252900	10704687	10434005	6928684	6935305	8940515	7828865	6581954	7949961	8694536	8018472	6810108	9169391	10652395	7916581	7766383	7302807	9523440	25466030	8684409	7752951	8526804	12750263	8676583	10933127	8482546	6774201	4340833	4983710	14130882	4679310	4301491	4528782	3573396	2669305	4263469	4856468	5447892	4072722	3885038	3754849	3803985	2593853	3873712	3438062	4060298	4205046	3988521	3891582	3582455	13615524	3785566	3528973	3776831	4571661	4362125	4242375	3946229	3952263	11139635	10587175	5360831	10445324	11412555	10845431	12198714	12025632	11702454	11180239	11196084	10750683	10906670	10567592	11472712	11688491	10270650	10801701	10996796	11181296	10665165	9342145	9763771	5994293	9754436	9670421	8974744	9973748	8913349	10222421	10430904	10055179	13205658	2022426	3457944	12800520	14092588	6413654	7894693		11082472	15700488		9637157	12658354	7259204	11723165	10357607	6028857	5110522	7966780	7129989	12346732	10108139	16544380	8474780	2379756	12271040	16356019	10894732	6117050	14547482	14560825	11038286	12114765	13645457	22391946	13377139	11825152	9046402	11718676	15547158	12874425	15157770	12553372	14173645	8060929	8695990	11573695	10599945	12153662	11989625	7878537	11053241	9462784	15332382	14674134	24753432	13886085	13112973	14533839	13952187	15135705	14551149	15186151	12545030	10954311	11182453	21032522	10366783	12096325	12132209	11893101	12419126	10722946	11079581	10307167	10158269	10917855	12038012	10280651	10491516	9867204	10571197	10673224	11114499	10353448	10613691	10040134	21180038	10136134	10447329	10843535	10638649	9883523	8829366	9744584	9744157
methylmalonate (MMA)	39942736	38952760	115875312	38006936	40066924	42107788	37328628	40004588	39574744	34810348	36217860	45012924	45587980	42100248	45345484	43592472	47089472	45026856	47395864	43452128	48220992	30411662	26788286	116198768	25655128	24364698	25066110	25870794	23320792	26090478	24343970	27898728	117325776	129834288	114620768	117626744	127365944	125234656	114225264	133797424	115846320	119495016	122346064	133163800	123940208	123831456	127062096	123144496	137555792	141148672	142527600	130860832	139438384	78153896	76468008	121669424	78106992	81250368	78169280	77998464	78965192	77774696	72519704	78045976	68271368	63773884	108685192	68049888	71657848	69877656	70239952	64072720	72855944	74285848	71832904	77382568	81534048	77801912	78478376	81414904	72640752	75299168	72831800	72412704	72305808	51942984	51561796	113139128	55079540	54103720	54617340	51836696	57072904	57006220	55838616	57852288	207498448	195927024	106798448	198502864	209311808	223862016	202906960	201214816	232134816	229205888	218045136	234491680	235485856	247983360	240004400	235513456	210110304	222016704	223658816	232669776	223512816	154293728	142833392	108652112	154042304	156225392	160072256	150850080	150925504	153818320	154940160	152361072	49112684	51561700	69268504	49935976	51503352	52375352	48342644	50948616	49488960	53883888	58625980	55285792	57983256	57351672	54978248	59294424	52040440	56071788	55765668	54152072	58159104	35721332	33381222	79501744	34689696	35873592	36143808	33602952	37495788	34104908	36694844	35657504	120466544	116233896	87045576	130000096	118014120	134352560	134714368	130517472	120032232	120202320	117811568	120138392	133546048	135940608	126092192	126668248	124000712	133200280	145296880	130581944	124777400	88968552	83960784	78193096	94038008	85205776	88879464	90127072	84973496	83417176	90075504	88243752	167288240	152251408	79590464	165354912	170013328	160721568	163853232	161829968	154697792	141607840	149618816	168128864	156394352	161665824	162207888	158816240	162084144	171659312	166135520	160079104	163320016	124029696	122197672	78130072	113899192	115694368	115448424	116496864	113099320	120507104	114738824	120752048	43153272	34800156	107766256	42365772	36986704	36306224	41808552	38104732	39028960	37051516	42491332	48727084	44769800	46857684	44317324	39981096	43790540	46947488	48436096	42801588	49755196	23566600	22448534	104931424	22449322	25119794	22520442	26075874	20361136	24929618	22074854	23356628	45869384	42486868	69308096	49414404	39117816	39594164	44155852	49573168	52319728	50853860	47836440	50193828	46273544	57777600	53594640	58991896	51846220	53497444	47352252	49228380	52030568	25167550	28084062	72360768	24319644	22712370	24322054	24808494	28615630	26089448	23348084	27009458	74496712	81191192	109013480	82739240	75518464	79806480	79342328	80655616	86175744	74728288	74902288	88686216	77288256	76724896	89033560	79571384	81715840	87489056	87793256	79034920	89977616	35120588	36912024	122708960	35758952	33202328	32338640	33393134	34279444	33714816	39016200	32637650	828978	99787872	82215096	108765848	831991	99636144	107020312	101983288	6373268	1098409	83960008	119620000	903245	6587965	1229060	112522720	76958936	49794196	1635014	5682172	122065168	24320174	86906968	182393088	60132788	523954		84667824	13458411		82759120	79364224	110644752	115089624	105333016	114736016	115826000	119396592	115602176	133300344	127907448	124480904	122708632	138400736	140972176	136852368	139764992	146928768	124479144	137208928	125931808	125339936	104482408	84491456	86236496	92725960	90544952	78806576	91925376	76012624	89856384	89147280	93931704	77516592	84048488	74465704	158237968	78142656	74028992	75015840	85353832	84718960	78180520	75528296	74866744	90749408	96186000	87974920	84676568	94956080	93026744	99116928	100252480	97570072	92975656	42222456	36632972	139961504	42483468	36653336	35075228	35829244	40132064	35753396	39684912	39969100
methylsuccinate	49982632	49246540	93863744	49414264	51729644	54063596	47273856	52162260	46812592	46511256	47024112	44362884	47600384	45993856	48464992	45620796	49245776	47041668	46863852	49677284	50933080	30790682	27810744	86461656	25796680	24967794	25558088	25852856	25479606	28443472	26356500	29596748	116674312	114029104	117709400	121277568	118279520	117631848	106187424	109863200	113858464	106273352	119572864	106052944	100668568	102477080	104303864	113345704	113049136	107285064	106277856	119277048	111265808	52246560	47448180	101327952	47961764	47976484	47054516	45255192	53168924	51075264	49015676	51889052	94141288	87098456	95295704	103625360	97308560	100590312	96372320	98992136	104157960	100211744	107865392	103696384	100988512	100192168	107607744	109518776	89189208	99354256	88794592	99239128	97085688	46678300	44805100	94240872	48546496	50586820	49302336	49910968	53043576	52524928	49164716	51740044	314138048	298967232	124156960	302587264	260393280	268179728	282153760	326573504	290054656	291082944	324297216	274072960	312063488	268807584	277278688	340989824	301850400	261379648	272755744	254977424	270006368	144722528	194710832	101801256	183805296	157706144	159014768	160135328	170894752	173667456	161418032	195565712	97910216	98409448	120907144	100008560	92842104	97500048	94238440	94289392	102281792	102019512	108949328	99537888	98111024	98841464	92836360	105178376	89389144	98303616	92587968	100236040	93587416	58675736	52838496	128995328	56093140	53804748	51453924	52827952	59946444	52058820	54999860	58523352	152694288	140476832	150554976	166294464	139283712	155934560	148976560	161551952	126114960	152138464	153250816	126445664	143037344	161040352	143422656	130244896	147682672	145998816	164771072	175262480	157355680	85959608	88327368	128342280	81460856	91479000	80509896	85253920	89869232	75912176	74106408	83874800	203575232	208302496	122232976	178017872	191182528	188781568	178443296	190609344	174043008	152898976	202104944	181352352	194732800	185030224	174484320	195550768	167794832	184578544	189958064	203732560	183515136	165164256	165860384	122983952	150703376	150323392	157421536	147783440	152726160	160570624	155347296	155016512	47209740	38994904	134169096	36615484	38325108	37200772	41166996	37993388	37870348	41345616	41662916	39682872	34768912	34712500	30723788	36145704	36493224	35893756	37293708	32585850	34603404	32607084	30670500	129394712	27583128	32261020	31194300	27982156	29148522	29940432	29760974	30906460	75192576	77585432	102250288	84949264	74788840	71648864	70496304	77562072	83841744	83744600	83519936	80946136	74254992	79814328	78360000	91232232	80502224	73786448	75968336	75528224	76478088	47383548	51309660	103948808	46319220	44007728	45692320	48704860	49520952	46800920	43604148	52386924	95885848	99632912	80943920	107663984	117487992	104522720	114321376	135131344	142215824	99913528	109056992	102223576	89770496	97317688	124281712	103208520	108692600	128974608	137196240	105997600	122703024	50556592	51921500	89648856	58368952	52342572	45556292	48666764	57223768	61659136	60512536	55928184	140876832	63418952	17381946	100402976	128108768	101706416	35930488	92663688	123371912	113093688	107735168	95986232	102812328	119106328	124842224	43251896	107426000	108881240	131744872	116890888	101440232	106629984	98828184	19232838	89345632	83877576	82071256	99143456	93013264	90989240	96496800	91222824	102034832	104090472	118052208	101727392	108701728	106399528	100557168	116947848	113706256	118519704	111115496	117907424	112220104	107664984	106804496	115456112	99331736	105981616	104460136	100214696	91089520	105406808	112128200	106400112	132735784	113662432	120404920	112551752	120860064	133025632	123180272	121797488	121321952	97108384	291794336	109207392	99972400	96282048	116249064	123050360	114539536	97218512	99574032	103894808	108045192	99138808	94570344	112129440	110895376	112795808	123931832	120748088	103102184	60504412	53364804	273172544	56572896	51417184	50490564	50055488	55862492	51211408	58008164	65002772
myo-inositol	20540464	18125214	52188452	24835446	16700733	19443136	18454904	14208539	13459667	23188250	23558808	13626401	21678514	13039571	22880760	20850814	12281498	21072822	12502909	23640624	24930984	10660608	17316160	30174188	15329038	18003948	16440279	12727086	19127596	10081300	16959944	11474087	18818546	17293432	39356736	18273192	18851868	18628228	31081850	23714280	17239514	16883608	31540990	17380490	29175690	29244342	29846580	31088590	17890448	20750938	31270478	34244760	32299504	24682766	12182640	34066688	23054652	20106272	22730482	15719260	22809362	15952115	11733246	22682260	50911824	33574532	30464242	34233172	39762804	58455760	59396728	33952164	37882964	36930848	37183576	37922580	41962376	39982528	32829904	37994068	69448432	41202552	39407712	47612936	34630792	29218290	29539812	28197544	27130094	59514436	53352256	25160836	30796858	29225398	58236156	28911430	27942952	25862574	42855344	24446542	8283185	8993616	22201784	23223986	10171981	13628512	31657042	15383497	27179114	8407819	15428557	27784780	30641572	9138855	7518643	8819336	25726124	5926812	17365186	17569760	16693361	6569234	9021716	8317314	16890600	16756353	7921627	17790792	99389840	77429944	22984198	67875576	101576536	84365448	98931000	103330968	95178920	106328488	94297736	98922760	80269776	95545552	89611504	79612136	70840880	77529568	72470072	76789296	76693912	44813284	51375232	18935956	51989952	47635192	56374296	52121684	55863092	42461700	49241468	54384732	22833992	21297094	21148608	23944754	16552075	11404934	15805526	25195888	16034704	24256538	22786126	21448308	13020049	26571438	14684854	17089698	22856128	17117066	14882124	24533306	23408594	7694256	13283283	27656522	8552786	12257969	7550648	13248133	12849597	9366969	7665814	7861446	24037452	43098672	31676976	23240150	24125494	24074080	22961444	21107748	22728362	20124740	42184604	24026814	38584948	43719856	22954574	42916836	22406826	23716530	23626754	46361148	43032316	24614566	24844700	31212906	16118097	16674232	23234768	22911750	23661810	23048872	23778352	16286601	15976330	12322122	23134594	14895322	11833258	11641936	14517497	11845527	13994876	10994976	14680242	14021120	13068873	13625949	12930660	10279437	10668338	13468816	14484269	11397081	15466154	8305619	7628420	23337958	7868108	7569365	7196936	8912180	7688846	9151053	6832136	8335750	6702813	3410164	19120240	6068404	2823359	3394713	6257819	7052280	7037930	6426573	6426993	3449297	3712172	6310273	5380559	6875864	6048455	6897904	3537400	3186978	5771216	2043349	3097199	18553088	1395154	2001679	1774110	1556620	2427877	1692583	1840103	2387886	23056854	25876820	17376744	26234588	23829276	25721550	23787452	24536254	27998518	23601928	22986650	24537286	22418924	20920000	24397886	22442696	23129336	24234260	23336342	22703472	24741122	14465866	14850031	19457176	15944478	13705550	13417959	12875782	14035910	14023819	15443145	13390078	23043562	23121890	298689056	29164838	28157464	19046720	20854582	23908204	18618884	27912094	22646556	41828584	24641454	21623528	25800680	28946748	19209544	17201686	21709628	18635088	30121602	23941374	6817227	263640208	19080342	14547583	20130106	37073672	16487749	14109120	19615468	25338428	29627288	38909672	23999804	41476840	29532778	31664084	38633464	39823836	31915782	42683628	45671572	42181752	30658360	30549434	31297822	43858300	26247654	27904028	28502560	29065016	28451974	27917606	26823134	17512960	27463640	22555522	29602318	23621752	27814734	26240320	29047248	23836502	23456864	23811890	96471224	22706414	22531970	23934852	24243714	25400970	24062588	22067570	21627024	23183920	24144432	22172244	22124106	23407770	22983708	24234158	25294648	25929944	24757182	13446392	12087493	94155904	13251025	11783393	11441175	13057360	13527478	11878916	12871656	13821840
N-acetylserine	15622154	15215446	17846326	15289759	16952950	16615709	15963264	18090570	16322956	14287733	15100569	14181481	15686460	13999531	15759557	14115312	14905515	14228601	17179410	14688233	15073591	17711632	16773017	20130032	14333787	14791523	14988598	15136725	14434652	15962858	15270592	18713524	16961640	16988560	18111972	17383060	18259972	17811474	14646418	16930752	18008220	15979994	16770409	15197560	14688745	15210376	14602788	16673165	15978740	17402744	16085532	15141853	15189443	18366366	18386510	17831272	17616200	20161088	18637140	17204226	18165324	19034408	18960988	18824818	3074832	3029716	15367370	2974401	3430761	3095723	2984162	3209454	3397198	3355299	3064863	3163649	3855007	3775224	2807339	3431229	3013906	2687142	3434222	3386905	2914193	2980026	3301012	17822408	2798998	3382877	2703783	2182637	2434251	3076399	3188264	2597912	31725362	31390672	16951218	32480992	32211126	33609280	32776388	35366064	34156976	33724284	32836734	31958844	32525932	33442320	32692652	34878608	31639108	33275854	32182906	33366112	36201520	33625760	31237266	15787414	32041992	31799220	32036928	31541584	33802968	33897732	32899038	30444190	13850862	12736622	16293506	13011845	14934575	14826172	15130367	14481765	14721953	15830417	13654046	14124116	14695716	15380622	13909928	14085857	14032470	13988070	9421997	14103300	14238709	12389657	12505974	16114981	13536332	9018940	14347523	13320241	12921009	11072060	12804864	12728365	49454024	47507924	16000896	49715384	44712628	48561824	47075716	50473204	44921288	52823696	49846128	47196304	46395056	53349516	46279324	44470676	46235596	43070816	49510084	52900020	49776776	44979972	49108196	18274356	45700856	50744312	46353484	48413876	51371548	45786616	47518380	45525028	6874765	14918948	16580591	15468505	5417327	3648664	15338551	13747773	3111724	15084845	14925502	14860723	14255607	14524884	13074841	14982165	15601894	15522438	15582610	15045937	14020631	16446063	14003298	15282689	13288932	14935835	14524366	15116043	13598906	14212085	14001127	4895132	27967682	26240076	18058260	28702282	8565500	27601464	28146680	9490213	26518788	24400040	26172750	24743116	23167106	26112478	24045424	27033790	8589671	24608608	27540988	29477054	28385728	28284824	31164978	18843484	27990586	10514487	13553762	26160856	27643974	29261668	28880604	32402336	56012856	50712032	11894610	63974344	59200252	57582100	56240708	64152108	63430524	62605076	62462332	60142904	60641588	63424304	63156364	62232860	60812628	58611364	54939276	63747948	58530064	51357816	58384616	11309682	52140104	56324268	67734656	50851076	70785656	71186280	64191800	66419356	16742722	16184542	63930976	15663069	16277202	13893007	21002074	15139001	14616348	13993265	12720393	13375818	15045245	16223947	16137727	15712856	15762894	16524767	15012417	14299903	18901500	19956876	18302956	65324880	21792206	19770666	15208313	15277957	19886410	16693960	18103332	16429306	20838048	16817556	108049352	12717359	21652062	16940962	14750403	16781032	17990806	19225856	16270153	14077475	17905104	17362044	19250142	13293163	16134663	15868857	18161042	19288870	15651595	14954330	13138571	101691792	14672922	15356943	15988629	14619274	16491922	16138335	13492956	13907105	13466768	12786557	17057714	11674603	13568532	14320633	10987794	12605305	1394464	14040177	12813944	11677233	14402621	16284678	16298609	13546634	15530156	14849782	1346423	15519761	11984995	13535522	12542330	10238728	15271799	1574974	16123811	17622634	15371586	15892396	13453428	17093936	15050736	16440778	10752870	14601213	15437452	15281796	16658365	16963602	16253894	15516591	15867528	15292943	16091758	15966832	15968170	16191878	15683432	15952419	16476605	17192130	16379374	17604972	17204270	6335531	17327524	17714644	16186962	17514040	17500792	16569027	16216611	16993030
N-carbamoylalanine	4741991	3902429	2339863	4034737	4730458	4830858	4209259	4681109	5090684	3601300	4155720	4658703	4248616	4428659	4196329	4633634	4856355	4353286	4994811	4511388	4944377	5128469	4117932	2207299	4352934	4002019	4090802	4244888	3692080	4746293	4528128	4740318	1199677	1399155	2176353	1252196	1180489	1212579	1059044	1208455	1128567	1065015	1168855	1041830	1161429	1080783	1168621	1026298	1154163	1205847	1165745	1105916	1096386	1014181	1096102	2136072	1026991	1168683	1094943	1024291	1122979	1199989	1075696	1053208	1113608	1072414	2039977	1197624	985228	1143323	1068466	1117170	1196094	1222396	1125923	1230359	1231684	996726	1074796	1303723	981478	1105949	1069235	1069788	1066116	968280	987409	2099770	1130692	1204560	1247316	1163332	1243698	1307277	1019944	1171422	7291945	7422287	2037155	7163871	7032428	7020635	6860507	7274104	7053277	7259904	7375435	6953040	7512075	7245455	6964630	7881958	7043323	6978399	6835777	7098921	7120660	6865950	6765108	2139120	7036563	6582521	6956906	6920209	7333294	7134151	7178521	7168916	1957207	2011208	1332952	1963872	1983040	2034715	1924667	2034449	2073692	2182029	1973379	2167098	2108093	2338026	2230062	1919672	1896143	1988772	1985292	2003033	2024097	1726735	1634433	1494690	1840724	1905607	1863691	1725381	1946201	1774303	1829259	1929257	1338171	1407469	1377085	1490278	1431113	1530695	1358255	1551015	1308669	1440253	1485237	1389849	1355737	1561831	1246504	1320969	1460462	1396088	1539343	1613815	1487820	1303268	1458890	1347577	1416094	1420052	1489484	1444555	1452595	1313571	1251628	1401396	2649986	2790463	1476910	2644120	2666031	2699974	2624929	2670861	2538200	2285689	2744954	2614173	2694983	2723246	2591091	2682625	2669304	2522150	2731909	2899664	2928487	2680590	2771505	1536414	2388536	2648903	2567868	2604772	2662149	2575275	2652881	2591078	975041	742535	2101978	960061	700343	719514	862644	880778	801918	591493	805414	914050	876191	969277	786686	755787	830904	911598	1038443	855465	915336	753896	785396	2349329	665887	805588	687816	823005	866437	816700	795623	840826	3020521	3059130	1364311	3135144	2992077	2913636	2840776	3227985	3209333	3121202	3077100	3272655	2984226	3247703	3207455	3074222	2925774	3044917	3001349	3130972	2894663	2928667	2928546	1368638	2972457	2908910	3029370	2959452	3225760	3172458	2964087	2838681	1900988	2300447	5434465	2278981	2011005	2208496	2010091	2149950	1895317	1898705	2312389	2290448	1876948	1778567	2058802	2423937	1853798	2203951	2163900	1882867	2334402	2019773	2154725	6055316	2424516	1844817	1923801	2159215	2125241	1750216	2371572	1815444	2452948	2335612	6048650	2236062	2340141	2193046	2171225	2285050	2032583	2276830	1991433	2277382	2135252	1839527	2088454	2144635	1950122	1986764	2139939	2295134	2422730	2091204	2076843	5864518	1917007	2000232	2198296	2123908	1939823	2111011	1909049	1988743	3441302	3785797	2173214	3757700	3695152	3657921	3566250	4061126	3854570	3770048	4139717	3915103	3766843	3834888	3883357	4061328	3473791	3617719	3487246	3467287	3139457	3816213	3930561	2079005	4363889	3740765	4268920	3704929	3880094	4164340	4316243	3665207	2230681	2017208	2949413	1786092	2057380	1956310	2217966	2261824	2098704	2062073	2115549	2185748	2160925	2138439	2047162	2166127	2046843	2312478	2136753	2223903	2259989	2220275	1894287	2879829	2159881	2047898	1883990	2164022	2131368	2003447	2066427	2265757
N-carbamoylaspartate	13842723	9077869	7437691	11268995	10699313	11245300	10818585	10156215	14848735	8432948	10391405	14042371	9883254	8472904	9760884	12449838	8389236	8805277	14951328	10616080	12689041	5838031	10696070	10440109	13711394	10665458	10015448	9060195	8971953	6189940	13312707	14942050	7096120	5526783	40771212	7737879	7528871	7034943	9263021	5981800	7002099	6759108	12657641	6032542	6760665	7717861	9889257	16741503	6383457	5930816	6803654	14170457	8491990	10954505	4998069	7310650	8922687	5331566	6690595	5747301	32258370	7552356	7234720	13544718	7136252	4687287	4312005	6199122	6681124	7345741	7258077	5939147	5480728	5951540	4941788	5792457	6865779	6178752	6293224	6305825	8727774	6794713	7126299	7065925	6412657	5923384	6066269	4599526	7837599	8183039	7581830	6483192	7025456	6526021	8092870	7305063	330450336	328407520	203397136	310088352	37085144	13727174	151546144	316890848	17729168	28046264	353185600	24774752	234012256	11940933	18073276	293765280	282781440	12625921	13394609	16869380	104857024	9620822	399088672	51117980	403620576	10495203	12925563	43003032	290152896	320866880	15278324	417738240	8671835	7447822	9223732	7426356	8725700	7772996	8857340	9038539	10249591	10014191	7879405	8902183	7998872	9574108	9574011	7993068	7260281	7643790	7619735	7091673	7498866	8151818	9531366	8014463	8903707	9099524	9749639	9353896	9289178	8706862	8624768	8993237	11946900	11896105	8691114	12494394	10520369	9274900	10379640	12377170	10875143	11825345	12432470	9922897	8441261	10956293	8922870	8878300	9731349	8424336	6160569	10184830	9802509	12751474	15227845	9160229	11389149	15704149	7276799	16492197	17022210	12914860	9006598	12212438	14537573	16270167	8643635	14454515	14483377	15133731	14426688	14670457	14770153	13260902	15799815	13488030	15171057	14137385	13717739	14821612	14017466	13766230	13291529	14815198	14317686	14583789	13240771	8165952	12626704	13715426	13315085	13623086	15476997	16415490	14560272	14383969	9619560	9332652	10846144	9198161	9046616	8853087	9435963	9372671	9291170	8598704	9294669	8223444	8410225	8476749	8294593	8535503	8821630	8419634	8833671	8966538	9091447	5661345	5215505	10861957	5366130	5932156	5602320	5349388	5903838	5570061	5644158	6050379	5230463	6040381	8149295	5867841	5853816	5643742	5328768	5796237	6112376	5924941	5574770	5624692	5353545	5303834	5089415	5374090	4938280	5387803	5613721	5477836	5043733	5430112	5293577	7546530	5445355	5422567	5563235	5699292	5469838	5643921	5311584	5449087	8746437	8969160	17052846	9799862	9037779	9717286	9928708	10141369	10634815	8964540	9212655	9164723	7916997	8235292	9683470	9100284	8509334	9027090	9314487	8920230	9814425	8582740	8783000	19082858	10269808	8869077	7659135	8371785	8609540	9225354	9927627	8176371	7120642	9096971	18238484	5726924	9470968	6563292	9346159	9530192	6780984	8392519	9041093	3901696	5992295	5812083	6493073	5736731	4373472	4246264	5892316	4406720	3991983	17550288	11656096	11923305	29055878	21902338	29366332	13949086	31227068	22734484	14021580	33117886	14013871	11836331	11708509	13661976	14481802	14921944	13920689	13645414	15492627	13172312	12800465	10677948	13541419	14028766	14068672	10927830	13041760	12721298	13540290	13647084	12606501	6286212	6065261	13107783	5927924	7080740	5941835	7044416	6193077	5778440	6020206	7049772	9296942	8660381	20060930	8700341	9092933	8924633	10252433	9074294	9217555	8838314	8710350	9433196	9682594	9291361	8469838	9139937	9063770	9568399	9559625	10053651	9551571	9241834	8760633	21674464	7824703	7566555	8308299	8777102	7300749	6675109	8464002	7661817
N-methyltaurine	4861440	4593491	22271866	4454104	4979983	5024166	4689138	5483743	4879782	4159206	4386557	4493854	4381782	4590332	4329869	4471917	4849376	4607098	4908076	4741278	4679948	5161158	4841259	23167524	4625816	4481281	4587612	4466784	4604670	4951407	4695441	5008414	20501538	21535412	19562118	20600728	22621252	21124758	20302196	21781752	20820502	20324818	20627426	21908094	20360482	20230608	21575396	19846912	21727832	22984682	22700904	21845640	23120596	22195114	21759924	19999490	21615536	23110298	22038204	22034610	21341144	22662300	22213656	21503156	46519628	42359832	19823886	45721760	45606756	45659396	47957988	44741232	45115228	44229652	47610616	45718852	45703872	44869896	47041724	47103584	45446088	45346972	43300568	43539672	42839876	46575936	45179352	20337388	49441028	50639752	51021776	49372712	50718612	52302508	51381088	51025116	35764936	34813692	18396610	33868568	36530604	36704128	35322348	36072136	38085220	38177888	36810392	35578156	36578868	38064176	36698008	37511928	33395392	36320480	36561820	35638604	34461960	37328380	35201248	19554834	37328600	38752424	38429384	37927056	37762732	38335116	39670504	36897904	4023918	4009200	35574268	4102186	4357195	4281766	4209039	4520471	4341766	4473516	4328949	4301653	4407173	4162593	4743966	4603988	3938615	4363236	4193494	3783223	3833539	4315242	4206271	37196232	4585404	4494779	4539456	4808397	4965231	4944077	4637561	4880077	36169724	35545208	39334276	36358012	38391056	39861812	41175172	36892612	36356736	35052332	35820828	34046012	36962620	37756148	37811012	36506836	35291396	37054596	39143752	36624628	35697260	38860884	37672576	37424068	38471596	35868232	45968724	36267320	36171956	37496012	38733812	37608796	25201216	24342168	35445036	25475464	26285866	26021906	25849778	25192314	25046594	22826398	25306126	25122840	23434464	23074348	24728500	22813000	26214844	25982136	24817406	24257916	23245882	25844266	24104894	36178596	24448686	24798190	22859192	22648840	23075348	22484964	24927042	24678872	21920210	21572052	23201458	19845078	21382138	20232590	20906368	22199054	19117772	20586962	20490090	19293168	18615044	19955082	18217866	20535464	20717612	20181388	21155394	21493456	20262902	22219384	22399454	22150166	21147250	22275840	21680082	19247558	21027858	18914888	21231338	22138748	4763220	5173067	36565464	5224759	4722171	4825682	4857060	5323675	5447172	5025778	5164797	5049086	4885062	5275914	4648368	5065060	4871754	4784995	4786079	5006558	4851763	5075242	5053140	37925716	5300400	5332627	5447523	4959532	5382625	5613473	5284505	5249635	21967648	22804052	183454752	23434512	21351856	22881536	23133528	25842742	22980064	21917392	22753748	22200402	20997124	20797026	24844520	20806338	22030848	21675428	22378346	22298458	23759524	23456946	24606062	189118528	23285582	21354714	23141164	21546172	22951794	23718458	23215904	22431458	21560968	24250334	323570432	26335536	23038860	21536090	29506840	27060066	21197116	21796140	23384702	22214128	20838972	22646728	21719712	26443130	20579248	21375898	24099152	21805956	25287676	23432460	25914356	299202368	24531192	19650912	22022300	21760098	23527506	19705192	21627670	23790514	59344832	55001364	22484130	54428128	61196544	63378784	57170308	58696020	62898232	56644384	56787488	56921908	61596384	63871256	62649116	59069396	57608236	58292180	60632952	56773360	57862808	55709412	59580772	24924362	63001792	63487288	59455188	63608524	61379104	59290712	61006312	65999476	30926050	21376892	34381916	64955268	23525210	67021504	18311078	27624458	25180566	16952654	18122034	16207988	21684126	24673924	17321584	22350304	18966644	17191718	16948990	38051976	31877752	70354320	24638438	34465760	28733136	23335284	17591810	17890084	17972280	18294898	17206062	27008658
N2-acetyllysine	4263510	4438022	10091268	4354479	4374860	4712846	4244260	4223819	4292084	4014013	4055458	4187745	4349502	4752093	3837422	4016566	4838720	3927019	4808959	4178889	4221798	4383005	3860957	11333315	3565578	3540907	3607643	3530280	3529935	4077201	3782166	4383689	9068813	9077739	15879978	9643898	9595647	9018151	9497631	9366069	9075124	8815668	10063915	8603228	8660080	9103084	9478919	9793068	9113923	8666829	9275574	10268559	9987885	7425814	6561886	14019720	7291633	6900561	7117706	6340475	7044221	7140769	6725937	7089938	4947147	5037667	10820042	5269824	5458264	5001502	5099628	5911363	5672475	6044582	5906188	5169109	5147962	5344013	5890093	5913553	4626904	4635297	4908357	4873531	5438476	4715014	4576421	11073586	4866193	4863072	4784687	4765348	4989455	5128490	4640773	4983794	22746852	22805038	15311676	21909532	22064156	20426076	21515556	23292106	22231140	22688988	24817786	21929202	24424804	21159768	22542990	25639752	22165080	21109926	21306308	21152230	23380950	14381156	15163285	15198208	15906625	14656992	15808297	15826204	15540357	16060984	15390415	15694053	6688805	6465408	5050967	6727793	6751431	6931000	6522643	6357309	6978018	7223970	7409541	7032839	7165802	7293980	6819239	7209070	6372066	6686562	6630264	6527597	6657750	4196005	4047394	5352439	4216874	4574394	4549928	4234137	4375679	4279916	4497947	4229680	12240985	11490101	6004914	12554463	12417307	12863676	12494488	12371676	12273451	12333379	11511320	11177050	12831925	12647872	12875269	12700193	11735826	12873670	12972216	12684727	11792310	7635904	7416208	5234037	7915983	7220745	7690691	7229306	7375958	7667262	7375604	7281777	11918888	11120818	5474154	11845293	11737904	12002870	11540606	11656876	11529613	10397750	11184206	12048082	11026846	10948696	11806139	11236409	12076019	12140270	12300967	11566195	11055154	7441327	7251622	5227755	6949499	7033930	6966764	6906271	7132151	7409971	7154358	7596878	9632752	9197501	7682931	8827447	9474607	9105582	9333281	9614857	8870455	8758781	9035665	8737137	8814543	8810542	7990320	8809535	9113872	8518054	8776658	9340001	9162905	6510795	6237373	7775222	6122978	6499326	6017739	5570871	5852035	5911324	6049430	6425497	1967851	2031861	5197738	2215918	1953269	1903615	1952335	2157228	2283620	2207499	2198358	2245087	1928673	2204830	2176388	2224542	2026772	2035056	2057893	2060878	2046430	1199495	1185259	5140125	1218332	1202128	1209940	1258167	1276860	1321193	1188411	1259508	7318651	7157787	25664614	7262423	7059804	6900570	7806443	7558062	7763978	7235510	7036578	7105757	7297002	6875914	6868395	7009187	6412353	7295687	7113414	6896988	6935595	4811709	4995212	27389516	4845531	4976346	4706216	4840505	4875956	5116330	5150874	5038496	8536510	7861610	10981265	6902021	7794713	7468790	7523787	7737681	7350393	6401662	7337533	6883804	6363706	6984935	7111162	6423815	7225249	7457340	7794937	7451695	6959846	5779639	5110752	9465236	5281473	4965009	5104930	5343751	5739483	5067522	4995590	5254292	6607638	6181998	7234769	6255107	7035969	7219698	5836550	6331125	7138698	6527856	6437798	6675518	7349508	7386565	7235663	6736930	7239824	6791368	6991487	6834016	6953295	4753172	4430297	7533583	4941708	5197798	5072427	5174104	4799588	4779645	4917396	5312885	7079978	7193321	19357788	7001093	7081376	7108485	7463434	7609215	7511822	7164404	7121975	6472221	6749743	7326465	7186726	6943689	6732487	6933791	7342363	7303318	6548980	5504484	5267254	19347382	5240124	5077379	4963281	4970103	5344480	4967807	4963275	5247753
N6-acetyllysine	4100551	4931993	14740235	4502878	4235547	4486511	4282523	3939631	3794983	4473472	4458925	3908177	4673989	4169412	4805700	4483997	4065131	5292395	3874871	5045883	4577041	2689428	2984063	11202720	2713133	2901070	3274053	2775632	3065514	2657845	2888705	2632968	23020444	24915830	15579070	23134308	23665438	23665602	23246362	24844172	23174330	22293794	22955078	21984878	23167564	22462812	22895394	21777612	22711146	24304564	24462250	23022030	23926186	18449428	18545044	16985908	17947814	17941432	18509010	16706007	17928782	17937852	17488268	18184466	8158941	9110659	15225681	9371251	9313767	8524831	8570990	10123741	10092877	10209958	10295215	10146371	9837145	9602953	9956944	10681178	8381557	9159758	8613387	9224446	10349227	8171159	8164970	15903961	7538073	7322306	7708205	7938496	8652747	8341039	7022128	7755230	18601326	18741502	14219191	19037908	18913978	18518914	19157638	19561966	19780232	19512778	20091872	18896768	20847230	19133742	19190300	20656580	18791348	18860270	18361480	18979374	19970470	16520761	17835122	14690628	18295172	17284456	17511360	18191446	17880474	18479290	18025492	17698182	10817796	10738025	15006222	10802720	10680916	11159108	10869285	10909195	11799929	11648067	11127672	11339248	11571168	11990180	11165487	11586988	10727133	11255242	10763060	11253917	10706705	9373931	8822774	15112442	9530804	9380961	9518545	9176481	9501341	9290784	9297371	9541669	26608872	25254232	16918018	27571736	26159130	28188346	27455578	28532104	25232144	27207202	26432584	24426390	27651598	29171858	26456550	25495052	26355164	26807394	28683738	27944302	27238934	26928496	25980776	15475490	27999026	26603872	27343716	26987868	26525620	24506616	26193380	25677356	21825328	21040134	14937150	21766580	21893794	21884662	21417504	21586542	21514922	19731622	20587700	21903732	20266056	20142184	21197350	20569764	21663360	22323724	22051722	21427058	20429054	20552490	20859918	14654810	20312580	21412436	19309028	18888838	19499430	19935280	19545398	21239300	12549459	11789554	15264449	12073999	12268077	11792276	11592115	11950360	11681833	10863523	11412641	11563108	11498240	12123310	11305509	11193017	11649769	11989938	12343592	11995110	12343478	9912186	10087082	15590111	9654397	9947531	9742859	9388063	9451628	9435600	9489626	9628263	9622482	10577874	14776188	10176464	10025705	10121816	9702730	10278421	10513965	10385221	10284535	11048760	10058038	10413316	10058550	10118896	9798117	9910115	10180323	10239232	9590440	8057104	7867584	14959693	8385616	8053388	8309775	8221721	8284549	8059294	8271742	7945201	14494721	16443060	32010266	16174047	14768255	16260177	16571428	15115023	16555715	14850893	14334281	16860462	15648901	15304300	16209939	14828471	16048100	16206420	15939344	14632684	16345392	12412942	11998953	34702240	11907305	11520372	11053847	9015758	11335511	10456209	12228776	11744946	15335671	16070290	66498120	16170852	16052731	14707738	17048404	15451709	13932160	15196773	15896856	14619028	14769143	15593843	15627475	15639374	13619417	14248502	16494929	15551935	16833934	9380212	9919651	61872540	10519894	8456406	9649239	9788106	10574776	9140158	9686975	10909631	25287994	25773970	14701466	26198118	26768332	26154546	25467122	26407710	26643012	27136186	26719378	26576762	27835032	28433634	28010452	27685734	26801620	26290010	26993768	26212686	26051582	24494580	23863126	14672078	24803824	25735098	25832618	25186366	24597604	24936688	25448902	25673298	16325575	15409632	38722172	14368172	14605251	13771730	16652144	16843302	16040634	13518334	15244762	15213971	15563191	14662460	14838703	15619414	15127213	15759427	15697094	16154104	15229319	11516961	11045709	36795740	12324576	12310670	11084295	11604134	12292986	11729640	11273977	11803483
orotate	82087480	78398168	109851328	80367168	82336824	85734120	73490728	85258864	76949696	78460848	76694680	74539112	73916320	75065176	73867688	72714088	76807976	79452712	79199424	76886512	77887584	85340200	83840696	122411912	75349912	76814040	78496872	78271808	79009152	79066896	83248184	83543872	156259616	163412208	105858408	150703648	147976032	152647408	144491488	165966496	153013792	144147760	136920528	139131328	157302544	145090784	139642992	141484752	161272496	159098160	147601728	144006368	145162640	157303072	152683344	107808696	152343200	167572304	158344512	141139424	154132576	148240368	161224144	159256832	64323172	65891768	103072808	71238000	68073824	69226664	65811632	69867720	68480232	70769168	67554160	66361096	70725848	69678480	73744728	69513448	64960788	67868616	66159440	69056240	66851836	68724384	71933816	99143560	74399472	71947824	74647504	72124984	75692640	77505344	73029848	75753000	80588608	81953560	97317504	84203336	84518968	86724144	79979176	84528584	90708680	89400400	82700680	79825160	83084768	83966744	83793088	86369864	81790160	87250304	83045040	86744440	85752640	89265624	86799584	107317912	86421856	86472080	90350240	85732120	93458776	89997648	87626968	88851736	42880420	47966288	80418768	46721872	46808368	48920888	46695464	47712816	48468272	48864840	45927072	43148176	50910156	47884912	48366884	47951496	49271936	47644772	49332204	46354820	47836704	51559476	46702936	85378928	51873664	49262580	46157724	47746180	53226272	48446836	52831456	53426816	94550568	103222144	83477088	96483408	94909208	115079904	126286824	111309080	92441224	103128512	111950816	97180440	92962712	115776568	107557472	92440296	117284880	95162856	113002408	109081720	101783848	98569368	96952824	76519424	112988344	106495712	149187856	112970960	109402240	93559832	95820616	97187840	153029520	150306944	82392072	155231680	154812512	157442880	150416144	155084160	150413376	145033360	150097568	154242240	144717744	144166016	149621840	142023120	150642368	149243984	151183824	149486736	147671584	153939440	155778048	83859872	150913216	151783680	150070096	148241888	147943968	144377904	155068048	154304896	70405560	70968616	82945864	69118448	69418208	67091052	69767392	69902656	67354832	63373088	66258820	66440844	65880808	67393536	65874080	65780836	65688612	70003512	69398256	70600680	71776608	73003568	70870144	84583720	66891552	69537440	66165844	65058488	68416368	65219292	66277752	68133016	67894640	74866536	84099480	68392976	70916264	68788112	67086776	74893144	71217344	70122016	70279288	72381448	69107992	75881944	68171232	70401752	70147960	68565560	68816888	68958056	68992944	72573776	70818376	85549624	72050608	76743536	73771488	69830408	73784776	74586480	76760200	76359928	84270672	89413672	319734720	82466728	83029952	84817864	82879200	95940656	80664376	81350576	89640592	80661664	79987648	80723200	89490320	83892448	84848240	80838640	85390584	86108752	89928936	80668944	88523712	328885280	83444504	80101888	81364432	80680992	79962120	88375112	87176224	83252064	92475704	88695288	232362320	84905360	90529664	88233776	90317664	83557904	82403040	80874176	84898552	83652760	80623560	78323648	84175280	80845096	83099440	82022632	83914232	87719184	92755560	85154088	82565024	224852896	78777528	80661408	84941064	83684208	82001648	80348920	82632120	81954072	136834816	134939216	84391104	136690976	142708480	136499184	132500488	149570560	137783872	144979520	150854112	140058704	153095664	150836560	145705568	146999520	141830848	145959424	144779200	141608208	136194800	151011584	143843120	79422456	157372432	159392096	166084016	159243296	153411328	159031088	161799872	155292928	89288256	83637168	91055216	101676088	82897808	98819096	72190960	96288824	88039160	69820608	73785976	68211296	80537920	83699792	72836808	84368512	77092640	69169376	67826584	96346568	91986072	105420768	85256592	89552304	91014456	88096832	70383016	71179480	72686928	75692888	68550096	89175008
orotidine	84245640	81253808	104759440	80507888	84271760	88989888	78796864	87866464	81552400	71406360	76282656	78691792	80101856	78587912	78630792	78073704	83698192	83742352	83442032	85947032	86447464	40375932	77931272	100619048	65081072	68126360	69388728	45859252	72422872	65979484	68886432	64068280	69360160	75977336	81451280	69445472	72119088	72670312	71295232	73258344	66058152	64875580	68362736	65144128	68683784	66304388	65733148	63586116	68957136	75199800	73186040	68465640	73131648	59225852	56394700	94733736	57497576	59889348	59510420	54880740	53621636	53894132	55014060	57612848	51336020	51596540	93236416	51768952	56551476	54581924	52122204	54540732	56751856	56188292	57057680	59944564	61096904	59736008	57463936	61534488	54082232	54124480	54602916	54488512	53658136	52902896	52364344	94767072	54836400	51937172	53097896	52307812	56328824	54075472	55401688	55318964	91987736	90765264	67861968	94921424	90111544	99378080	97048488	94966328	99174568	96200064	94248104	91888888	100302152	101317344	95170472	98484976	88604040	96252208	94692264	92911800	99329176	129193272	118007800	70472584	123995456	136113792	128430104	126544720	132211464	132025408	130291376	127213824	35032020	35904200	73118256	36308832	36949276	35048696	36699432	35663824	39209844	39881516	39364804	37426644	37905844	40691344	39576004	38318608	33845404	37808808	36423220	36452252	35640604	34913736	35768416	75667816	34743072	36376372	39618372	35164968	34116420	41072940	37404560	34989428	140864688	131595640	85713776	154727824	152084672	170607504	162431712	153372368	143860992	142840000	138543632	125328000	170850336	163047168	159755200	144194816	133686880	149655440	174563696	148236736	136388576	183051904	172898016	79619640	189438688	176208240	197310608	178219568	176093904	173356528	192050352	181741232	110424272	128017696	70407184	93628888	102054344	107658584	98793168	106220248	96099408	87112488	121709088	105234824	118148360	116724448	101174176	119635192	98659808	106546632	108263216	121958336	111952880	155523200	154922720	69833664	136365200	158593376	141815104	139177776	146313808	153514416	146747360	158385616	45796236	42756572	76103280	42877452	43774124	40956128	44158556	43868932	41562436	40459188	42844012	44225064	41951660	42278080	40493740	43051272	45607844	43859136	47449808	45736080	47697468	48408732	49250952	80226984	44832060	48337024	47687816	42815620	43766688	44246384	45641476	47252144	29705444	31682608	59496356	33362970	29874532	29887184	30048202	34036432	35061392	33735836	34050460	33662756	29466866	34407056	32733876	34367872	30877094	30117474	29472190	30720244	31768862	35216436	33130402	64894264	36082240	36643576	35978064	35208920	37345996	36308312	36828820	35974540	69456656	67514440	312044288	72978048	69767288	69181552	72802408	76242360	75690968	68597912	69262136	71564032	65254800	67815688	74603592	70691984	65687624	66452612	71961416	70366616	73583728	83653440	86837288	350291168	67793064	84887744	60820632	80759352	77886192	62571356	88064056	80584552	73311600	77280864	349059840	74567720	74132384	72175024	75151288	79878080	67503544	66321572	71350408	69666216	61602556	67555856	69920768	69753464	68746552	66867276	73262272	71268136	75995536			330133088									148148768	144592176	67422168	138066032	157656768	158055584	140201168	158783424	162487232	158348944	151834208	154938784	160367856	152595360	156658928	160202256	154896816	151694016	149136144	140965168	149459152	191404304	193033360	63995348	204547312	197170800	206949344	216751936	185751632	210651456	192355184	215528880	73788752	73127872	204774416	72670880	71517704	70260752	75961616	80835064	75420448	67912536	72352488	69322920	73585576	71686824	71625416	73444072	69921952	71838600	73603416	75115776	69843744	74607664	73316440	205561856	63626392	59847968	65285228	71683744	56933332	53359056	67822816	66205052
phenylacetylglutamate	13795671	12863219	53600908	12250569	13217944	13704759	11814428	13632515	12977190	10799789	11950343	11882846	11676265	11654869	11251752	12000892	13193108	12706606	13893001	13934568	13594320	25781736	19810040	43722052	17456086	17185830	17999838	18291284	18896074	21954712	18077188	21615364	22959704	27521280	33076354	23319656	24596374	24912172	23351618	26834056	22897354	22111912	23268238	21422802	22613498	22070856	22164510	21183972	23409572	26546510	26454282	23624660	25510032	22197690	25618098	38613564	21828546	25556384	23048524	24174226	19903944	21919704	21737098	20544792	9484134	9516876	39519420	10310112	11397702	10875026	9767640	10316519	11038753	11554361	11580192	12008948	12371986	11396694	11358138	11908435	10010006	10028419	10182988	9781818	10587493	13603740	11823531	38239600	18054896	20003484	18729036	18027082	18518640	18534790	19899124	17284020	78612344	76872120	28056808	80935856	75638592	83657744	81762312	81828744	84312544	82560784	85314256	78218616	89465680	86528784	82214016	91757888	78678024	82778360	80288976	76605344	87332504	104594904	79900328	28867436	87837600	99857960	96918544	87910928	92304456	95589320	91774520	89618944	16161925	16257350	23705964	16213497	17525560	16162410	18031524	18193502	20891406	20226084	17299706	17857546	17503924	20431148	19843714	17351216	15596781	16622616	15986233	15704060	16215872	14915826	15373786	22111676	17272918	15883661	18059670	16107234	17738116	15689154	16162100	17530804	67529064	61519836	24043710	67116392	63286136	71128904	64477068	64243364	57963008	63523796	61601568	60101552	67893056	68419944	63639624	59147288	64371572	63316816	73974648	69251800	65659824	67031796	66282384	24298418	71822976	64841012	74369848	67142328	66940236	59571996	68099824	65516192	47391768	55517932	21636576	44790560	45461612	48566784	44220484	47159000	43026388	38360124	53814600	45177300	51920776	46818076	43779244	50756564	43538448	47483388	46842928	54280684	45455348	52050904	51923588	21521778	39501648	47273732	47177836	44743176	49660176	54083592	48955028	48353476	28759824	23712572	31637556	25961660	23906068	22085816	27590578	25005422	26350534	21524976	26218252	25809610	25586526	26038704	24630432	23337398	24041468	27835022	27967772	24859162	29062822	24264518	23549526	33253668	21662434	23406234	22169236	23475510	22558294	24432006	22480366	23122178	8833437	9263231	18464408	9334594	8834029	8468639	8613954	9562994	9787723	9737579	9536529	9604549	8391741	9676413	9168474	9742085	8610680	9031724	8679451	8910410	8788569	8980086	9173103	19096246	9517907	9173718	9248798	8919412	9902051	9666669	9548145	9591112	22104500	21744074	89383256	21919354	22583150	21810544	22485658	23842310	23948208	19946702	21901982	22030962	20419174	20876780	22643518	22072030	19384520	21876528	22588490	21622846	22790204	21142684	21763308	110674256	21871724	20408356	19272756	19297054	20524148	21382866	22631920	20256046	22177898	21289480	93980448	21570358	21494536	21031800	22566684	22689438	20070232	19871196	20975600	20896968	19262582	17458518	19507200	20267114	19396704	19465404	19502978	20124988	22931590	64880828	58815592	96193056	66837168	51596524	49489448	63460532	70194368	54715360	60742852	55373800	13139643	13667466	25863758	13789965	13937871	13585420	13566579	15219446	13849240	15293822	14956919	14164314	13979967	14008519	13762191	14868669	13812543	13971529	13159204	12809498	12865994	14122254	14333706	24860362	15738426	13768268	15360178	15073230	14734970	15508075	15065575	14943879	23516042	22466766	89280600	19919590	20937382	19447010	23886520	25611636	23742104	21262654	21414496	21269156	21859818	20408362	21888434	22557862	20930970	23325094	21935282	23133790	21483254	22482962	20065766	89822920	22329006	21665492	19830068	21268852	21978764	19787866	21533316	23603496
pimelate (C7-DC)	9058833	8168697	15785864	8012406	9033294	9155345	8172006	9407533	8990172	7386107	8341354	8428371	8810198	8028869	7970082	7985977	8345440	9124000	9115314	8380346	10279821	7357675	6046746	15503476	5517580	5643645	5645696	5439738	5497738	6201671	5426835	6598817	35409608	36647076	14059464	34775352	35120032	36859080	32580168	36052792	34328836	34485196	33484276	31578308	32539988	32116440	31873700	31269224	34506632	37036704	35035316	33605988	36028756	22616922	22383638	16352811	22139678	22984722	22969576	20450574	21988078	23652336	23022608	22215456		6498642	15290279		6937328			7912640	7424696	7415656	8171508	8675895	8653780	8319388		8440244	6078892	6417853	7851012	6860857	7686111	5576340	5372414	14290577		5104067					4665390		17731140	15808963	13300738	16619864			15612525	17826488			18805624		18287284			19664790	16539660				17530560		15861003		15083939				14111297	15018924		15990623	12007228		12127464		12155605		11474329	10353639	12201638	14033047		13722241		14085881	13210199								10964364	15429569	11649690		11896363	11690583	12130965			11620964	18925214	18389154	13718732	17986276				19315494		17598792	17335386	15408870		18182488			17332150			17983004	17876724		16462858	14310795		16033524		14411634	16172193				31503732	29050946	13774658	31953960	33664132	32475206	32109472	32268580	31809408	29260948	28144778	32648596	26378246	27462780	28881070	27859766	30177280			26788458	26713466	26266028	29147776	13652292	30739902	26790518	25211008	24682906	26058022	26539452	24337688	28937398	3161188		14030560	3098874	4038306	3665986	3023272	4043622	2826141	3255233	3033176	2947389	2814143	3071019	2824662	3658834	3351132	3193426	3026564	3899610	3428747	2936769	3371820	14059464	2983219	3304374	3439264	2548573	2888730	2350565	3013449	2850922	9905527	13406525	14860857	10506205	11169472	12060778	9322523	10413430	10833155	10316204	10263511	13331222	12251678	10317094	9784535	9988410	8943880	9199262	12342101	12210885	9591641	11689523	8655267	15966822	11221841	11422754	11959974	11810619	9952146	12965620	12926627	9998920	16841808	13420200	37724276	13711536	15757123	12788354	17934038	16638704	15299155	14833894	15269509	14315121	13634033	13845660	15381422	15940488	13819731	15112265	14145202	15430476	13973727	12011672	11442740	34256404	10755378	11845801	13566542	13162562	10448634	13309746	10443557	14554116	20307044	14005665	127897608	18123516	13729545	22356168	14688296	15634725	14660302	13404172	13567847	14566746	12537274	12416940	14213812	14113263	16419942	16776203	14181720	16052287	18890878	10360201	8310271	145090576	10042761	8604111	9559615	10042185	8027140	10398984	8740839	10297063	23771826	21524472	13899193	21499814	25225462	25802880	20393718	22974594	26612540	23974032	24560858	22477370	25906336	26828824	26228576	22896094	25017074	23675114	25510668	23367248	21506568	19908410	20877834	17115592	22246700	23842086	22848034	23572056	22328856	21749328	22027884	24652136	13436311	16475455	111861096	13165120	14518184	15702673	14509871	14181332	17235040	13117102	18215216	11179853	12981945	15994815	15688672	14640789	13743936	14367526	14341882	14837589	12693976	11193324	12308481	118697456	10604341	13937596	14704619	9224430	9434509	12183436	12251537	10157987
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ribulonate/xylulonate*	436069088	395689568	592836672	396727520	425538400	447906016	388792192	452992992	426417568	354369152	379201728	404082528	391438592	396679232	372103776	378697472	436795872	402170944	434364320	408381120	435394400	359913408	486671488	623643072	399174016	414103424	411230240	396117696	417275456	362109600	409979744	341940352	557019520	578548864	509607072	558936064	629682112	578953728	563444608	624457792	615283392	560652224	548757760	545742208	548900416	533509440	553530432	526971168	552442624	629426176	620843520	553985856	598022464	549834112	527820768	558019008	531356032	620461504	553218432	465865312	566924800	555278528	501640288	534508992	515998560	519595136	531470624	517354368	557361664	545605504	524217088	540116864	557832128	558626368	555868224	553219776	583978240	571643712	551887168	587702720	526340576	533883808	537574016	535378752	521350816	633585792	638328000	536868736	666986176	750837824	734354112	622305024	733956992	664888320	755181504	765468800	514444064	514668192	480385824	545426304	511647232	527716288	517397888	542751168	596525952	544560192	534971040	503372096	533439456	531855424	507687328	528567712	496547648	513645792	544037504	551989888	514071264	556976000	527175136	555452160	543003456	577547648	531931360	589613184	586988544	608585024	612784896	559379456	372695328	326451808	552135488	344912000	437899104	348356928	394303680	396154144	404853184	391968832	357199616	441628416	387084288	426702528	425084000	363831392	368537728	342724032	363087264	324253472	368615008	445684640	487590304	556489536	496745984	435820512	518317088	479931136	532509600	494956224	453151776	529977920	666029760	679411520	570396992	655640000	731905216	700670848	703564736	659148992	690671552	662693824	665230464	632674560	708000000	591585536	699327936	671632000	670315520	679966848	711326720	653476992	656339584	728634688	734538240	539737856	770299520	741581888	758356416	729993408	759236672	750569152	766382400	741160896	996441344	968550144	521256960	976894144	999201472	1010735168	981099200	990075456	990576768	821196288	973808768	867081984	931168064	938641920	998784960	945521344	989599168	1020523456	1034623296	960035904	939210368	1323464832	1290493312	522897568	1278866560	1345922432	1305365120	1249302656	1263931008	1278728576	1250507520	1357533568	561636160	394869824	569642048	552270976	412405248	484050080	537642240	402516512	533263104	364285248	489999264	392421056	384528800	414632544	374613472	352347776	484803072	428266144	570636544	394831392	453384992	775119744	770451712	626876416	799894720	764158720	737434432	819105408	844519616	827494144	721897088	744123904	305400032	319669056	519853632	338417280	306156864	322001440	321155936	355501984	356087424	344219200	361807360	335237472	318047360	341147584	330262880	345262208	319383104	307251008	302461344	321769728	313165824	343527040	352898432	490178432	339491424	341692864	366375136	361069824	373182560	370104096	364966208	362530560	474890880	478676672	2151470080	539769472	459199648	541566976	518842656	532478048	604834048	457171360	504701792	497454496	503950784	433131424	518876800	504710112	478570176	502412064	560228736	445418528	496983744	750568960	725654656	2386790144	752525376	729846400	604402560	691187840	777987648	830303872	830298944	727192576	491820448	539108928	5573838336	501815680	628205632	490726496	530809504	501004672	476181856	468549440	435404544	404715040	444115840	489985312	519405248	511619168	486294816	484934528	546219200	533138496	636279168	801436608	802857408	5224821248	744026112	725796480	720237504	834094528	857771328	688773760	810003776	832008192	506789312	522930112	540700352	443079648	474677280	450455680	439789664	504882880	540650112	495054880	571534592	527730368	565027328	536475040	562748992	499322464	535772320	521058048	535215104	519255456	490118688	794744384	805449088	512109728	814154944	847163264	815934336	808759808	879610112	874516480	835008832	882337664	474347840	529210528	2179226112	434907520	448964736	435250560	594132864	606181760	460662112	481101952	527952896	452719424	545659840	442012736	492631648	543036864	527327776	473917024	507995552	490308864	482000384	860474816	785542848	2219500032	696556928	628143040	713176576	824867520	621614784	576842944	788100288	741835072
salicylate	8636954	8802491	213645168	7842301	9753189	8979881	8532325	10292888	10822001	7474116	8791377	8906741	9068480	8848519	9801108	9138676	9433804	10192827	10809306	9555150	9506687	9822377	9213362	199194880	8751201	9338004	9240040	8624935	9979495	10980650	8712860	10020154	22721842	24474888	208271168	23784412	26584050	22798290	24073998	25386598	22800194	22911110	25181394	24113450	22601084	22182398	24483800	21398618	23871012	26278240	27263940	26309754	26763396	23855064	22484324	210848736	23438114	23297774	24539672	23415990	23260418	25519168	22520850	23476760	1336544	1061849	193453808	1418602	1015115	1129832	1386876	1224725	1238923	1219756	1239946	1489236	1302712	1507155	1545043	1784285	1301414	1365590	1634595	1647653	1424085	1583050	1573854	224366416	1636741	1569235	1613665	1745899	1694733	2007677	1680090	1732241	2150513	2837732	209072416	2338583	1994421	2154614	2247064	2104416	2217321	2149228	2333413	2333599	2313332	2612484	2265254	2234097	2131210	2367584	2650464	2231928	2256087	2379459	2522531	202325248	2770540	2694791	2102548	2779175	3213766	2926331	2656379	2848446	323263	358808	21383164	385730	380879	381112	346293	349019	424065	408894	400304	453926	488194	425625	412879	474658	410813	393547	416087	433392	402009	390996	410040	22421740	409546	405040	438944	406565	412900	398592	498286	444067	10186783	9038917	22900476	10912399	10908519	9931151	8888657	9360640	8631872	8630016	8872714	8598849	8947772	9154295	8942501	9692379	8540554	9588937	8752661	9084892	9826569	10285629	11303382	24640020	8633851	9653124	8531220	9277056	9788539	10064974	10139088	10371267	657151	739802	21948326	729924	732457	732078	791847	703628	754169	674421	721215	878941	719039	766017	914535	654836	719570	784949	774092	807383	852026	882103	849786	21155252	649763	706098	729277	990649	980625	912652	858499	796109	4166674	4659672	532952992	4446307	5106316	4739349	4981643	5071730	4616728	4207474	4196644	4814749	4270546	4632768	4786119	6364941	5677200	4653821	5407527	6218988	5132543	5415493	5662244	542226752	5111652	4857500	5338982	5201993	5327795	5656132	5297461	5760468	10547976	13058666	22546218	11218111	12282065	11264686	10123691	13036962	11631412	12141164	11767373	13313555	12523065	13367351	11650014	12407654	11518737	11225839	12236364	12272563	12194496	13595681	11687001	23138262	13167151	14672376	13393606	12700589	13926273	14634047	14528707	14620601	8905336	7943375	1343079	6809540	8061950	8569656	8226759	10456634	6734957	7765078	9733150	7915265	8151401	8042036	9240573	9067315	9139163	8286641	8692233	9873595	9591455	7675908	9426098	1204928	8312647	9685155	9029448	9283335	8284170	11749338	8697058	10156239	6956467	8185888	2603654656	6309059	12172300	7463234	7411238	37699844	6182905	10866044	9143924	6541156	6554507	6217975	9154591	7932336	12042579	8437998	7538372	11233280	11139387	8823889	6799271	2581903360	6187806	10098511	9693240	11754312	9629647	7847494	8417589	10526596	8945963	8604913	470294336	8656976	10243891	9328574	9136479	9635968	8327436	9974817	9040748	9469216	12456626	14206956	12937516	10008909	10781008	11002992	11015026	11197161	10483334	10064569	10627454	542695232	10438625	10675824	9801950	11064874	11342311	11382409	9830957	11318472	8038466	9252358	265075776	8762034	8739525	8471613	7956929	9609941	8849181	9125588	8633767	7439149	7481960	7539858	9337251	8092305	7974722	9117667	8303064	7934156	7245527	7870005	8726539	275529952	8007757	9194728	8891910	7577153	8811047	8876886	7601606	8628121
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sedoheptulose	22421398	21754316	58936484	20048714	16551051	22259620	13764642	22981002	19977612	17842112	17023578	19273346	21224360	15275775	19322668	18010932	21566672	20118548	20190766	22671496	20986406	32308150	34039420	49725456	29164456	29341990	33359914	32713002	36337952	29263538	35654748	29677808	51566384	55484580	49959704	51101584	53520472	54390156	54438712	55391564	50931908	48053940	50526192	46976184	52931100	50496288	49559656	48001192	49615016	55827696	57505836	51425360	55466744	52839032	59553168	56198488	56927988	61490600	55614460	58798108	44949684	48939016	55228544	56749072	101562800	102415240	53864156	102549128	118134936	108421936	102321696	109069216	115348072	114831448	117190696	121436840	124788144	127911600	112047016	125710904	104930568	105785088	92162896	104057264	107375784	144103280	141024672	55172208	161230112	180471152	168637120	160414224	169553552	169180384	170472000	165115504	59722512	60325832	45683092	58586408	57461420	56841052	59900564	62942412	59804488	59060436	62451132	55597232	61227556	58050336	56161888	64048096	56818856	58441988	54993720	54644364	60203232	77161968	69894944	45388888	75846360	80071912	72358472	70122408	76741344	77644936	77854496	73542760	61367392	57085056	52426644	58428508	57591728	56070940	61016728	59571940	67041896	66672628	63810504	61263292	63086840	66887480	65158396	60960900	56373364	60937384	58667844	58486800	58436988	59816380	55680948	51397976	47269732	63180512	69250096	51600644	47172520	62228572	58675084	51412468	58856320	57098992	52734944	60708396	58321856	65365568	62891468	59235780	58476016	58492284	59064100	55177032	64194776	61749072	61552532	58659688	55567404	58727804	64172000	58301460	57297912	54689452	51605724	52731136	58753340	61615056	61017852	56002760	63190292	62932496	60328096	69233752	54854048	59997232	52001612	55158356	54843420	57301368	54137540	54094996	58796380	51630660	57375572	55041988	56289428	58259672	59898324	57966936	56445448	55354268	55947840	58845952	55869368	63010436	61933468	50722448	49572740	64567756	48820204	60954392	53362168	50834340	49072240	62600624	92722768	78774376	68425600	85860424	83210008	76213848	82689320	85765936	81611848	74043608	80141872	83250488	81332624	79527664	71812264	73763592	76474896	84961048	86412432	86139656	96102904	45775088	56768928	70166512	44124536	50487964	44503780	62489704	40390424	62151728	43383712	48441304	28190674	29865272	45670256	30496144	25834868	27964420	29151618	32425582	31543982	31604102	32192780	27963372	26833968	31523850	29807084	32738280	28995862	28560928	26093500	27196554	27949892	15150499	20792184	46676408	15601462	23425484	21381828	21779538	17702140	20580804	21372888	17799462	54712428	58688588	140773616	56327296	56770852	57202780	58957936	60209112	64269156	53996124	57414156	60366584	56033076	52961120	62125556	58462816	54887132	56347340	60082764	54421692	61055624	40381692	42205628	164334320	43698664	51912988	45453420	46016836	39015392	32632514	52925196	49303052	53436788	56180184	294008992	69814424	62020496	59763576	55644444	56085312	58336092	49288044	58971984	65290152	55276104	61049128	58768344	60343128	55331744	48823384	61957776	64913996	77750400		6419640	275558272	20907772			13838837	19088832	11410024	10098483	14726808	48836396	53946192	63099632	53551816	51790124	51209404	49864040	56282176	50787352	56078188	57621688	54193408	56483688	54612716	53369564	59034884	51588968	49466024	51884136	50527704	50926944	44564388	45924572	61487144	45484016	46545216	56291364	30286456	40358960	50949948	45528172	27341260	60182968	58986772	133514528	51992632	55815140	54430764	60299664	66745592	62044112	55774184	57905216	54315052	58972476	57544920	54839792	58372588	56545228	61956572	59810316	64455632	58777936	21435302	24236674	133283400	14298302	26448046	27821580	30608384	26140030	21632472	27682844	27571274
suberate (C8-DC)	10495190	9914245	21979736	9944611	10010824	11820510	10083613	11118704	10194577	8660281	9719745	9736520	9475417	9796385	9544957	9169372	10415779	9968774	10191370	11142052	10522531	7605103	7516758	22539164	6415677	6205823	6615196	6413991	6891514	7233245	6511414	7280973	47995176	51916516	21054416	44976048	51066496	49159784	39635064	50161940	48156120	45990748	39993128	47629860	40323872	40215428	40719084	39055548	48846120	50073628	41153468	41644044	43805852	40725656	43337896	21008752	39537284	44967400	40107116	42118560	38881172	44594400	43602236	39660808	12006463	11381567	20263472	12563786	11928570	12399262	12219765	12218670	10928056	13157757	12282427	13216268	13457138	13283714	13313353	13702445	12180984	12099025	12130250	12600168	11930966	11471783	11573834	20808826	13117017	11725856	12042721	12333104	12427025	13295793	11670294	11945203	20178702	20054496	18605910	20691890	24239362	24263710	20156000	24243248	23126216	22968700	22457978	25349546	22060932	25625482	25642112	22462208	19738508	25122420	23951200	22055500	20360508	23829570	20339952	20159990	21133476	25041882	24774396	23977012	21660938	22920114	24852734	22090942	8566597	9712224	19251286	10217351	9691808	12321048	9462741	9876856	10515117	10214752	11685979	10592869	11807863	10727362	10765724	11446854	10051053	9479197	10208754	10047994	10262763	11829989	8668818	19810532	8956082	10669546	9698576	8957066	9014319	9675607	10712796	9509631	43147688	39519764	22212206	41711336	48091632	42235148	41832148	40558256	38300424	38729652	38205804	38339220	38950768	38784452	38976584	45996060	40569860	42580400	49748812	42905700	41264588	41480456	40410672	20644812	40858968	39425600	43245600	39602308	40096168	40093120	41751720	39238264	44499572	43777868	19888342	45325808	44776220	45808772	45233672	43575596	41848644	37925976	41329756	42824476	39777796	40697064	41347676	39556052	44253736	42777832	53389936	45102216	41220832	39345284	42597264	19185846	39544264	40503264	38270372	37458584	38444192	38195116	41099096	41400428	4337353	5131919	19906596	4583316	4556058	4279616	4339925	4561949	4160250	4001349	4302737	4378457	3814974	4009594	3995197	4262148	5125740	4625322	4436081	4383650	4299983	2992507	4886887	20491250	3959933	4330193	4087796	3739925	2935467	3711085	4187229	3000842	16889086	18841676	19406076	18163856	17944788	17521142	16685556	19345328	19175606	18291906	18726180	18909854	17684268	18831206	17570188	18885260	16575329	17607210	18526508	19116334	16841020	15847961	14915848	22479856	16400817	17375796	20427648	16237597	16069787	16825078	16662635	15945171	16533514	20887284	78229000	21102004	19786160	21112890	20050634	21709310	22963954	20814096	22522840	20735470	17139386	17838298	22441678	18861214	20647190	19121716	22698602	20744826	22645666	19225562	20265358	81748808	19428358	19773774	16897860	15242266	17797120	18125862	19419004	18310672	21493110	23597220	106760216	21430700	21837282	22815224	23091754	23784656	20394914	18722652	21206050	21489240	18794298	18435222	19017080	20232430	20083562	20385906	19911952	21285204	23095626	14105256	11837636	106677976	11558353	11409541	11537248	11240449	12270923	12713608	10937797	12115348	42913700	43359272	20087554	43609784	44585968	45033736	42931632	45475328	46678620	45430768	44599520	46288868	47071984	47823920	46993540	47120588	43126852	42991600	45007348	43426164	39128160	42999056	42215636	20228438	44799120	45953876	46449168	45047888	45031140	45535808	45996108	45328520	22402554	19758986	102762128	20360688	21404422	19319164	21961526	21260636	20170114	20069992	19701342	19211902	22305558	23686570	18644652	20696910	20169136	22105986	20146856	24089280	21018076	18893754	17933548	94765304	18946264	17916976	18442442	19098618	17579136	12418117	18061092	21670786
succinate	277047584	273944544	96528536	269047840	276488736	283126592	266198048	263704160	261591440	264210336	267900144	278615840	281500320	274818144	280750432	276303648	288757056	271509856	272921152	288295968	291922912	239667360	229105744	90547320	205244912	211832352	212987824	208073200	204192512	214527056	211478272	230952992	133751456	143553904	114686288	141401488	153772080	138312560	148697552	168959024	154463376	138601088	147964176	144671408	133877360	137644000	151936848	140116880	166917632	188505616	184903776	158921856	166220224	105398864	97330416	115083968	104248480	117224712	104441616	105600664	124619336	130833368	106751320	115724600	68093936	58609052	99568424	68720440	74014440	63715148	83915304	90785784	97237152	76083112	74603136	72361912	70475344	79676896	85966288	82459000	80182728	91366240	88321624	70457816	78035680	66669860	68691632	100184896	78229680	83598616	69766720	80009960	116531944	117199024	73773560	95808984	117189088	108678392	113942336	108410680	125103216	111606048	112786520	148157472	166806656	126629336	136053952	141076880	139139424	143439984	156378800	153285088	145123744	172923184	170771520	135100720	144328576	118987856	120047328	117516456	133429960	144457920	131281488	145857344	161055744	158220176	141823616	146780928	126913424	125956032	90226360	153485136	159519808	168656960	150582736	176095536	188649056	152975664	163946880	159529984	200645312	184704592	186918160	182247792	179401728	197067744	210522064	153221024	184606256	144319456	122023416	120066120	130779912	132097584	112592976	112726104	180603088	158367968	145834912	158007296	158859840	147428928	109832552	142620096	161951456	148391424	161305616	171090560	182786192	149830576	145629152	139901280	150840048	146045664	171182432	168276720	162276144	205280336	186293728	150384000	163353056	140442144	133462888	98652920	145533552	145074656	136586624	142100944	164419088	181575872	134764192	154439024	126988408	111170272	113047896	145012704	138666448	136183072	146317200	142383072	148558144	120672080	114107008	140852448	111710536	125668016	148121072	120325712	162542720	152512080	151261888	137290064	130578184	130339008	128706320	112309168	145325056	135168432	124423056	136211616	145319168	139052720	127648824	152894736	59509512	66947540	143933008	60762552	73776000	65274232	74914800	87649624	74601416	59816372	65673316	91347696	92216560	98728640	95294544	99005056	103051720	107891072	120472776	114290656	112566984	74641528	75407848	152653680	72531472	77937472	69314696	75069640	89924552	87898368	68938016	81284528	54798908	63888252	134284816	57124396	65536536	58212724	64675416	86584400	78535176	56561148	68480416	92549984	83065600	84745184	78487960	71132512	73102840	90708704	102796824	85790096	72179824	45326444	43144516	137149568	47605808	53348412	51041848	55095384	62707160	68152064	52415156	50985668	146864736	126281000	77256736	131090280	163468528	122859048	174471168	180308976	163152448	150000560	158882144	133145848	148758240	158800784	153755168	147579216	142810688	164606000	160331392	165819344	146587648	69383032	67968576	73631880	76486096	95055992	72136528	80443016	102263496	116336608	77308728	100635208	914481600	52245460	149875760	1480676480	1402963968	46456268	59972160	53471596	705782656	1479152640	63514324	207899680	1779337472	162462304	658401216	74075744	55008948	59924304	284707904	75217000	1446634240	28090234	809512064	198876752	35132056	59571560	969225216	53259344	44831532	126080776	436845344	57373520	156111968	142205760	150146992	167610816	187731136	180748224	172581552	192006304	201815872	158455424	168909216	178904624	210776080	236433776	225717152	182727504	223204064	209336320	233575648	202632336	191325968	133750800	132670224	176569632	153391952	175155872	147710368	177006144	177432224	174476000	158945872	181973312	136926080	143407088	160739824	146623376	145803168	143333072	141672752	158259168	150128640	139030464	141600208	127869112	132646080	146784304	144809424	142423840	131448384	124509848	144458000	146899376	130065512	38595324	39397376	156672576	38654452	38085164	36719168	39051372	39928600	37790828	35953480	37197056
sucrose	24841274	25877390	30473734	23941218	24501472	26378052	24806118	25451934	24915260	22633950	23622508	23876776	23488084	23353450	22668082	23888866	24761408	26543792	26394378	25964538	24116462	13610675	12189432	32825786	11554639	11325565	11290747	11568303	11066269	12398606	11331159	13378775	22607660	24639506	24416002	22500360	22802956	23360964	21693268	23890264	21620394	21830856	21785956	22938696	21699944	21054172	20881180	21108002	22903568	24137918	22899664	22198918	23313468	17240296	17042034	26316716	17624186	17316264	17782108	16190186	16324822	16610736	16125772	16357099	4929347	5298661	26904226	5329965	5779631	5337889	7613664	4743729	5191889	4840167	5648702	5388354	5915607	5107346	5224878	4775994	5682971	4816998	5627066	5180038	4601840	3086055	3180241	26632540	3465393	3593601	2976979	3246601	2943186	3405342	3013054	2957755	17209716	15933049	23331842	16330883	16874836	16948276	15419608	15956004	17145448	17636728	17732226	16317776	17108758	17163528	17071070	17253966	15593221	16733857	16638309	15941611	16198458	12655537	13961673	23688466	14613139	13668125	13755517	14026458	13839081	13591461	14117544	13916378	14497160	14257445	18668854	13654005	14755390	14046841	14538575	14850359	15905794	15678345	15495514	15357507	14429382	16055934	15125429	14753144	13203574	14218277	14078853	13611790	13802707	9506101	10174512	18361986	10574677	10829710	10969431	10531291	10840926	10409227	10584601	10521493	45811216	44926656	18405992	45909956	46262124	46530532	45677352	45626740	43965056	45477548	44240860	43229996	45509100	46666140	45077436	43702928	45797100	44995768	45479036	46657836	45273948	37125768	36620528	18469074	37239708	35984368	36766920	35499620	36085924	35459596	35532536	36080300	21035388	22613224	20637386	21890250	22014272	21753680	21625056	21160558	21426392	19339676	21411046	21024526	21330388	22029150	21154888	21203376	21105158	21330362	21226910	22596498	22717842	17756206	17024808	19873580	16085893	16762151	17021162	16413134	16521282	16610012	17148220	17432956	3353486	3961819	16856650	3184459	3277542	3152852	3227268	4189594	3429188	2710484	3172678	3411795	3049427	3184069	3032386	2858934	3058863	3150195	3401012	3156991	3541302	2026207	1942093	16590738	1898262	1993212	1863944	1923197	1679023	2445225	1897415	1910350	8678763	8928165	18738208	9488779	8224521	8316314	8547874	9424134	11742183	9763156	9611285	9507966	9111861	9819823	9528578	10193398	9096789	9276682	8957042	9675545	9352055	5279446	5238258	17748794	5329624	5499525	5259160	5395755	5522037	5639552	5394923	5290130	16841090	17072184	11572123	17492528	16828570	17042308	17977064	17444072	18338130	16489417	16858040	17246338	16388343	16265442	17005876	17616428	17210930	16948306	17144742	16543596	17131650	9929885	10191021	12116332	10265378	9555318	9729999	9524870	9841134	10158014	10327506	9984639	14569481	22906358	176572864	20394342	16042359	17407568	22293252	21743042	14675802	12055971	20414714	19039082	10588738	18971864	16865370	19653452	21072760	17374640	19250762	16506793	20251426	11479620	7629959	165514816	12299685	6553140	5906967	7154790	8526959	5423625	7772355	8378967	49228172	48888904	16781426	50332556	50454880	51521980	48104948	52033844	52676372	53231496	54670164	53664052	52031400	51844816	53060000	53044084	48889224	48731412	50127584	49995352	48126484	38889980	37773216	15967624	39945496	39863344	41313588	39116684	40342472	39062100	41370664	40967596	77278656	18345010	879532288	16226256	14475388	16428769	20062750	16847554	19456028	28344522	16006984	15564697	16122934	44482848	16770228	17572876	17568746	19315756	16620605	18922654	16751560	12608569	7943977	876696000	10703321	17417018	8667351	9706109	9448914	7277702	8713536	12043199
threonate	686992960	625714176	1263656448	623732608	672391744	701548928	626877824	710894400	687387712	572770112	591841216	658302720	624553344	653772096	599284928	629086208	695150592	641138752	710937024	651209024	689244672	471408960	723070528	1352534784	631636224	853896512	692202304	704754112	963523520	504071776	741072256	431518016	1452657152	1606734336	914238656	1613136384	2087713536	1689690496	1665683968	2308904960	2665438464	1572232960	1629570176	1636103296	1716252288	1771850752	1867228544	1648034432	1815163136	2201111552	2311991040	1634635264	1954473344	2023858816	1554328960	1003567232	1630894720	1869644672	1696149760	1721741184	1972609024	1968686848	1582222720	2230317312	749428032	827979840	1075704320	753877696	917139264	800468288	801611584	889760512	933230912	906595648	914437376	924962624	955940736	937960448	821645632	959966208	814547520	823164160	909107712	768652096	848907840	914102976	915231872	1263824768	852677376	855146624	849786304	828379328	925488640	886387264	886466944	878097472	809038272	801085376	985326272	822326016	787497536	839077888	839608896	841873984	849927040	809029952	824635648	764131136	848757568	847403968	770409920	832141120	786253120	800209088	791941440	806824128	836405056	795607168	825069440	937097408	844388224	793565888	1107615872	1102302080	901760256	897590592	1151488640	852438720	564237760	687889024	593146560	607023808	555470528	708063488	584018688	607585728	643036416	609814336	689282944	577931904	664880192	621929408	584981760	710696000	731892544	660018752	644720960	700616768	739265728	885169536	773481088	566687616	701803456	852493824	698652992	656899584	955129856	891077760	909970816	802378880	933899456	939945280	584748736	952215104	940579392	985790400	978825280	956830848	940458048	947355904	948208512	912284608	992263296	977571392	954627264	930831488	904398144	938302336	989441024	949075776	930129024	1202564352	1055225664	557648512	1245691648	1184780288	1235342080	1051566656	1194694144	1075579648	1203124608	1125752320	987048512	857136512	529095168	943335168	986351488	1000757632	1010991936	1007276416	989332544	933604288	950875136	1006290752	828896704	921773568	975889216	834389440	990551936	996614592	1004170240	848366208	841601344	1256725120	1233820672	584306624	1197162112	1216695552	1015782848	1190951296	1206735360	1190050560	1177345536	1254566656	804861632	668047360	689709056	762820672	720686400	697909056	763331584	710490688	748338560	645631808	742197440	692449472	675981824	696515712	737682240	819695360	835974528	707526912	778705664	842270400	778804928	1189749632	1238752512	696853760	1698960000	1181889792	1740228864	1198225920	1800445696	1265131520	1691112448	1149039488	562164352	605368320	492094144	589859776	511989920	571001408	585367616	632459072	638869312	626179840	633760704	619665664	590430784	632555648	602730432	634286016	587848192	584276544	579218880	583552320	571178048	774504768	751289408	488989920	1256311552	986238464	847450240	800649280	832943680	927598464	840030016	849871872	602956352	584770944	1155499904	633038016	682563072	551922304	660609920	886985408	1007363584	586408512	648211840	683472000	630815232	656124480	815380288	646346432	655238400	969844160	1192687232	664503040	760379584	1347614848	1577739520	1391315968	1454008576	1939044736	1511512832	1758119168	1891330688	1969081600	1829114624	1666725888	948008960	903349824	3143315712	859303296	990671552	810429568	913258048	964302336	798207360	777035840	834430208	885000128	843062464	880928128	870772352	899986048	815246464	863565504	1095824512	873093120	1081442816	143710064	240574848	3057169408	127064152	100566280	64222352	170572960	137422480	67489992	199445072	182914928	778024576	892307968	674735104	1197067648	767279296	1498277888	860095360	895084160	1013532992	622176256	897598912	861553856	772129216	735565248	800566080	895964608	956458368	774451200	760593216	1442203136	883118336	1989092480	2300493568	443386240	2352251648	2380719616	2140163840	2246748416	2171648768	2167488000	2153823232	2342491136	813831488	873246528	1738023680	749358720	693228736	667197504	860033280	836367040	733022848	657487040	704646400	808728320	767744064	694899200	776467456	817968000	942677888	778690688	842332416	996922816	737153472	1366175744	1264530944	1922733056	1329420032	1311585408	1306439936	1380676992	1354007424	1295415680	1354895104	1394807296
tricarballylate	4270926	3204414	13148127	2712216	3651270	3405458	3224649	3933728	4970689	2530429	3327438	3561015	2120594	2789828	1996629	2980209	2907785	2343560	3830611	2477129	2831381	5751384	3840886	17417582	5957166	4607109	4423139	4382342	3118247	5422690	5366582	6892465	1522961	2173413	3924276	1349309	1681213	1966614	1840318	1939761	1462041	1720116	1691901	1538606	1980807	1647457	1495417	1203246	1231005	1684085	1783495	1092735	1746350	861032	1191728	6737064	829550	1325428	1049575	1132028	526889	801596	733951	806030	7434246	8215939	9561821	6504536	9891480	7961230	7659990	7804209	8650874	7919965	8779687	6802370	7675490	7421975	4741496	6535816	6635287	5447694	7801870	5774822	5453224	5899666	5366792	8502507	5331267	6958041	6588489	4973636	4742105	5209522	7255562	5616278	1825622	1355625	1315919	7878135	4361246	11612724	11632375	6392499	8551567	4972881	923357	1980567	3252626	7036604	2988627	683075	286825	6332738	5919460	4698267	7425650	5626463	212831	1346789	679495	4583686	3829345	729874	3233503	1991750	2087560	540459	31446258	2641224	26962184	2489131	40316344	8451147	35532616	37052292	34409840	38059608	2369065	25529220	3142273	32866720	33666104	1865573	6245437	1928527	2364286	2019467	2277652	3267774	26523748	1658674	22833392	1059255	14905211	19757886	23222906	855540	1358821	23459692	862484	957006	1077277									481309									350202			1508069									2100865	7318210	12033591	4162744	4807802	4239923	5230526	3610346	5554192	5099600	6638412	4160132	7589258	1222407	4820855	5139339	4712830	3645477	2937844	2746184	986721	2431141	1434907	10137540	4808216	2394552	1564278	879909	5100687	8137269	2542413	2622896	8362681	17945160	1281552	4046305	20598618	20459206	4600859	22126288	3806368	29747596	4938137	4694500	3331045	3702198	4450046	26487164	29911148	3778417	3643597	16325400	4231558	23478116	20129708	1251716	22057398	25037998	23397242	4650608	27942734	3291240	24291470	27424370	669225	5998489	10246174	2768177	6352102	5386612	717963	750716	805240	941375	722418	4673961	4157934	516829	596042	1720584	1987036	375722	4613603	4430751	1851106	4479949	320612	12348900	3478678	3880230	4094413	4427579		3740308	3952066	242674	14939770	2489555	5340232	1641700	6955254	1676606	22889600	6656738	1299267	8537217	3740308	1164762	26323084	23873010	1502778	1171872	779891	2611161	1132738	11009638	1057683	3441810	1931103	4332742		6687766	30314196	11485314	2061945	4889126	1157620	20121246	3708110	3988700	25564026	3757458	3941615	3723157	4045010	3666317	3382989	3442963	3470574	3517587	3036863	2934738	2866489	3365559	3220757	3022998	2793653	3387178	3612871	6421395	6697347	21363006	6582793	5882840	5822787	6378869	6700220	5978290	6348049	6498022	1206057	2380954	3388070	8512691	1133649	1161660	1909933	1307751	1290325	1513708	7298743	1192967	954875	800729	928314	2294750	1018673	902911	925101	874797	758718	4523019	1448480	1464489	923148	750604	5014817	840023	4066597	815207	6809807	670360	1503212	9918970	25680786	4858688	6101911	4461755	1227224	9211201	7953483	6642166	8156148	2435803	1837871	5308265	9692630	1684874	1246955	970502	1128678	1674498	3018860	1001669	8070136	27724076	2349592	5998720	6369577	2840818	1501163	5670401	755506	570575
xylose	5549167	4148568	25460526	4867378	5484499	5401720	4464075	5205847	3946598	4034062	3727500	4332514	4007663	4330488	4334716	4622601	4242099	4574252	5150655	4651303	5283522	5129310	4794534	27121888	3780803	4085797	4446193	4603609	4154960	3903993	4263711	5653668	8927257	9753149	20429328	8085839	8290831	8781508	8225051	9246053	9267273	8401831	8418325	10755767	10115980	10361146	10837577	8230936	10893640	11972145	9129218	10365766	11177085	11295066	9534951	21527182	10731153	10465860	10497329	9565507	10018863	9408548	9285549	10200648	71964272	70699936	21024668	86631832	76311816	73303232	70355656	75733592	77382024	76216496	73661488	80131640	84789672	81617728	74026712	83933768	74321640	93189928	72764984	74666816	67757304	80728664	85554776	20717146	112831096	89767432	91927528	102146448	91741216	117632320	110499136	112791480	14061931	12427038	18641378	13711754		12948127	13322045	15548760	13617973	13679942	15531446					14971177	13582878		10409905	13024895		12095409	16095300	23067666	16196580	12284450	14611623	12846075	17748584	17291114	15487342	16309197	40691452	51874340	12241965	51147080	38146920	51911740	41531880	40430404	45029184	47187248	54499960	44853520	60598692	46505684	45520328	58500368	52960468	53708292	52785276	51097076	54530716	48405696	34048184	11825305	39352948	52647704	41363476	37251588	42318704	48295588	50820020	40904924	13064981	13260407	12440886	10338275	10923352	11477078	2366118	10298361	10439248	13644637	12851741	12025543	10817019	12461660	11902273	11383748	10953593	10824111	12711911	14139106	10399164	7995386	12301165	12097225	11972145	11027672	10296158	12003472	12261639	8703191	11908026	10566714		14656962	12543952		13529955	7551717	13192269	6551158	6884097	12113491	13320448	12088879	13532075	13094221	3630654	13404371	3450558		12243658	14272283	13360823	11934850	13318025	12594143	10119044	7178766	11188007	11220266	12296674	12062859	9199488	12759819	17695480	14612154	16127754	16236243	16112910	15070408	16498360	14900913	15964656	13820339	15857170	15913101	15265494	16262078	14996029	13660228	15138923	15662173	16486968	15165599	17343560	13028051	13618955	18142086	12449238	13372993	11650182	12294108	12376213	13329077	11348007	12844350	3783236	3040286	10201127	4249631	3478832	3143986	3514549	4178277	4501926	4362190	4236924	3527049	2393244	4109167	4290287	4348593	3801102	4118116	3449089	3281820	3872723	2938504	3051330	10119800	3055443	3406491	3837451	3218911	4160277	3735384	2660002	3864474	14511443	10191978	72898664	10910707	15499736		12058596	15761000	14285844	11972145	9225224	12988074	9449327	12097347	4033465	11574501	14428929	13836382	11144354	16601882	13016565	13917780	2778123	90403512	4774164	9974607	12475437	9818189	9837323	8202391	11363843	8819406	10975495	16344914	179666848	11916290	22954958	8587445	12782691	19113342	11230873	22076706	12028001	12492786	15997665	10243476	18298408	9819041	15652308	11432225	14548918	10241798	8131470	12798473	9708827	157027248	7785439	7468609	10095154	6634080	17831148	8822719	7031158	14596117	7483972	8230734	15731294	8023852	5532763	8000190	6906629	8426378	6716812	8820284	8076202	7203869	7721808	8293178	8233400	8569003	4015003	6827655	6696628	6838038	5171552	7331237	6999379	14046404	7244022	6983198	7586833	6937847	7286707	7431843	7907019	6280504	12344776	11267160	87822352	10328913	12250347	10402081	12048276	14016338	11397400	11896015	11597958	13919877	9909180	12319258	12435096	15610283	13719887	13911589	13144261	13620442	13576088	12595426	8203254	86498360	11864634	9577181	7934897	7816640	10566503	9758538	9783608	10468269
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PATHWAY_SORTORDER	SUPER_PATHWAY	SUB_PATHWAY	COMP_ID	CHEMICAL_ID	RI	MASS	CAS	PUBCHEM	CHEMSPIDER	KEGG	HMDB_ID	KEGG	PLATFORM
2,3-dihydroxyisovalerate	3747	Xenobiotics	Food Component/Plant	38276	100002417	1050	133.05063	1756-18-9	677	657	C04039	HMDB12141	C04039	LC/MS Polar
2,3-dimethylsuccinate	300	Amino Acid	Leucine, Isoleucine and Valine Metabolism	20703	100000849	2800	145.05063	13545-04-5	11848	11355				LC/MS Polar
2-aminoadipate	99	Amino Acid	Lysine Metabolism	6146	381	3500	160.06153	542-32-5;1118-90-7	469	456	C00956	HMDB00510	C00956	LC/MS Polar
2-hydroxyadipate	1265	Lipid	Fatty Acid, Dicarboxylate	31934	100001153	3000	161.04554	18294-85-4	193530	167943	C02360	HMDB00321	C02360	LC/MS Polar
2-hydroxybutyrate/2-hydroxyisobutyrate	423	Amino Acid	Glutathione Metabolism	52281	100008928	1258	103.04006							LC/MS Polar
2-hydroxyphenylacetate	174	Amino Acid	Tyrosine Metabolism	1432	235	858.6	151.04006	614-75-5	11970	11476	C05852	HMDB00669	C05852	LC/MS Polar
2-isopropylmalate	3754	Xenobiotics	Food Component/Plant	15667	100000409	2605	175.06119	3237-44-3	77	76	C02504	HMDB00402	C02504	LC/MS Polar
2-keto-3-deoxy-gluconate	4023	Xenobiotics	Food Component/Plant	48141	100005946	1900	177.04046	17510-99-5	161227	141630	C00204	HMDB01353	C00204	LC/MS Polar
2-oxoadipate	101	Amino Acid	Lysine Metabolism	38347	92	2633.1	159.0299	3184-35-8	71	70	C00322	HMDB00225	C00322	LC/MS Polar
3'-a-sialyl-N-acetyllactosamine	1060	Carbohydrate	Aminosugar Metabolism	40042	100003257	3300	673.2309			25060809				LC/MS Polar
3-hydroxy-2-ethylpropionate	293	Amino Acid	Leucine, Isoleucine and Valine Metabolism	32397	100001170	1443.3	117.05571	4374-62-3	188979	164207		HMDB00396		LC/MS Polar
3-hydroxy-2-methylbutyrate	292	Amino Acid	Leucine, Isoleucine and Valine Metabolism	32440	100001171	1352	117.05571	473-86-9	160471	141015		HMDB00354		LC/MS Polar
3-hydroxy-3-methylglutarate	2442	Lipid	Mevalonate Metabolism	531	112	2850	161.04555	503-49-1	1662	4573695	C03761	HMDB00355	C03761	LC/MS Polar
3-hydroxybutyrate (BHBA)	1424	Lipid	Ketone Bodies	542	254	1444	103.04007	625-72-9	441	428	C01089	HMDB00357	C01089	LC/MS Polar
3-hydroxyisobutyrate	310	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1549	111	1619	103.04007	2068-83-9	87	10140307	C06001	HMDB00336	C06001	LC/MS Polar
3-hydroxyphenylacetate	124	Amino Acid	Phenylalanine Metabolism	1413	114	1220	151.04007	621-37-4	12122	5323739	C05593	HMDB00440	C05593	LC/MS Polar
3-hydroxypropanoate	1452	Lipid	Fatty Acid, Monohydroxy	1556	115	1845	89.02442	503-66-2	68152	4573601	C01013	HMDB00700	C01013	LC/MS Polar
3-hydroxysebacate	1458	Lipid	Fatty Acid, Monohydroxy	31943	100001145	2411	217.10814	73141-46-5	3017884	2285525		HMDB00350		LC/MS Polar
3-methyl-2-oxobutyrate	305	Amino Acid	Leucine, Isoleucine and Valine Metabolism	44526	100000936	911	115.04006	3715-29-5	49	48	C00141	HMDB00019	C00141	LC/MS Polar
3-methyladipate	1266	Lipid	Fatty Acid, Dicarboxylate	36749	100001765	2865	159.06628	422955	12292	11789		HMDB00555		LC/MS Polar
3-methylglutaconate	269	Amino Acid	Leucine, Isoleucine and Valine Metabolism	38667	100002458	2700	143.03498	5746-90-7	1551553	1267861		HMDB00522		LC/MS Polar
3-methylglutarate/2-methylglutarate	1260	Lipid	Fatty Acid, Dicarboxylate	54676	100010834	2832	145.05063			11781		HMDB00752		LC/MS Polar
3-sialyllactose	966	Carbohydrate	Disaccharides and Oligosaccharides	40424	100003408	3720	632.20435	35890-38-1	123914	110445		HMDB00825		LC/MS Polar
4-imidazoleacetate	82	Amino Acid	Histidine Metabolism	32349	100001207	2236	125.03565	645-65-8	96215	86856	C02835	HMDB02024	C02835	LC/MS Polar
4-ureidobutyrate	3377	Nucleotide	Pyrimidine Metabolism, Uracil containing	22118	100000718	2217.5	145.06186	259232	1571307	1278628				LC/MS Polar
5-(galactosylhydroxy)-L-lysine	97	Amino Acid	Lysine Metabolism	43582	100002462	5477	323.14599	32448-36-5						LC/MS Polar
5-acetylamino-6-amino-3-methyluracil	3646	Xenobiotics	Xanthine Metabolism	34424	100001403	1710	197.06801	1196153-01-1	88299	79659	C16366	HMDB04400	C16366	LC/MS Polar
5-acetylamino-6-formylamino-3-methyluracil	3647	Xenobiotics	Xanthine Metabolism	34401	100001402	1424	225.06292	85438-96-6	108214	97287	C16365	HMDB11105	C16365	LC/MS Polar
6-sialyl-N-acetyllactosamine	1062	Carbohydrate	Aminosugar Metabolism	40428	100003259	3641	673.2309	174757-71-2	16212424	17216384		HMDB06584		LC/MS Polar
adipate (C6-DC)	1263	Lipid	Fatty Acid, Dicarboxylate	21134	100000863	3000	145.05063	124-04-9	196	191	C06104	HMDB00448	C06104	LC/MS Polar
allantoic acid	3282	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	33434	218	2960	175.04728	99-16-1	203	198	C00499	HMDB01209	C00499	LC/MS Polar
allantoin	3281	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	1107	1002	1672	157.03671	97-59-6	204	199	C02350	HMDB00462	C02350	LC/MS Polar
alpha-hydroxyisovalerate	286	Amino Acid	Leucine, Isoleucine and Valine Metabolism	46537	100001300	1052	117.05571	600-37-3	99823	90190		HMDB00407		LC/MS Polar
alpha-ketoglutarate	1080	Energy	TCA Cycle	528	93	2700	145.01425	305-72-6;328-50-7;22202-68-2	51	50	C00026	HMDB00208	C00026	LC/MS Polar
arabinose	924	Carbohydrate	Pentose Metabolism	575	828	1804.5	195.05103	28697-53-2	66308	59687	C00216	HMDB00646	C00216	LC/MS Polar
arabitol/xylitol	939	Carbohydrate	Pentose Metabolism	48885	100006430	1932.4	151.0612		6912		C01904		C01904	LC/MS Polar
arabonate/xylonate	941	Carbohydrate	Pentose Metabolism	48255	100006115	2700	165.04046							LC/MS Polar
caffeic acid sulfate	3649	Xenobiotics	Xanthine Metabolism	53254	100009337	1307	258.99179			30777608		HMDB41708		LC/MS Polar
chiro-inositol	1624	Lipid	Inositol Metabolism	37112	100001859	3191.2	225.06159	643-12-9		10254647	C19891	HMDB34220	C19891	LC/MS Polar
citraconate/glutaconate	1094	Energy	TCA Cycle	47076	100006438	2600	129.0194							LC/MS Polar
cysteine s-sulfate	336	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	22176	100000808	2273	199.96928	1637-71-4	115015	102939	C05824	HMDB00731	C05824	LC/MS Polar
dihydroorotate	3347	Nucleotide	Pyrimidine Metabolism, Orotate containing	601	923	1910	157.02548	155-54-4	648	628	C00337	HMDB03349	C00337	LC/MS Polar
dimethylmalonic acid	1255	Lipid	Fatty Acid, Dicarboxylate	42978	100004251	2702	131.03498	595-46-0	11686	11195		HMDB02001		LC/MS Polar
erythritol	3850	Xenobiotics	Food Component/Plant	20699	100000846	1491	167.05611	149-32-6	222285	13835932	C00503	HMDB02994	C00503	LC/MS Polar
erythronate*	1067	Carbohydrate	Aminosugar Metabolism	42420	100001320	2186	135.02989	88759-55-1	2781043	2061231		HMDB00613		LC/MS Polar
ethylmalonate	295	Amino Acid	Leucine, Isoleucine and Valine Metabolism	15765	2054	2785	131.03498	601-75-2	11756	11263		HMDB00622		LC/MS Polar
fructose	991	Carbohydrate	Fructose, Mannose and Galactose Metabolism	48195	878	2065	225.06159	57-48-7	5984	5764	C00095	HMDB00660	C00095	LC/MS Polar
fumarate	1084	Energy	TCA Cycle	1643	330	3084	115.00368	100-17-8	444972	10197150	C00122	HMDB00134	C00122	LC/MS Polar
galactonate	1016	Carbohydrate	Fructose, Mannose and Galactose Metabolism	27719	100001026	3085	195.05102	299-28-5	128869	114198	C00880	HMDB00565	C00880	LC/MS Polar
galacturonate	3861	Xenobiotics	Food Component/Plant	20758	100000873	3527.2	193.03537	91510-62-2	84740	76444	C08348	HMDB02545	C08348	LC/MS Polar
glucarate (saccharate)	3460	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	1476	1020	3850	209.03029	5793-88-4	33037	30577	C00818	HMDB00663	C00818	LC/MS Polar
gluconate	3777	Xenobiotics	Food Component/Plant	587	338	2922	195.05102	527-07-1	10690	10240	C00257	HMDB00625	C00257	LC/MS Polar
glucose	882	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	48152	572	2342	225.06159	50-99-7	79025	71358	C00031	HMDB00122	C00031	LC/MS Polar
glucuronate	1044	Carbohydrate	Aminosugar Metabolism	15443	100000257	3233.3	193.03537	207300-70-7	444791	58552	C00191	HMDB00127	C00191	LC/MS Polar
glutarate (C5-DC)	1257	Lipid	Fatty Acid, Dicarboxylate	396	339	2900	131.03498	110-94-1	743	3618533	C00489	HMDB00661	C00489	LC/MS Polar
glycerate	902	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1572	1052	2070.4	105.01933	600-19-1	752	732	C00258	HMDB00139	C00258	LC/MS Polar
glycerophosphoethanolamine	1660	Lipid	Phospholipid Metabolism	37455	100001620	3075	214.04859	33049-08-0	123874	110410	C01233	HMDB00114	C01233	LC/MS Polar
glycerophosphoglycerol	2198	Lipid	Glycerolipid Metabolism	48857	100001619	2430	245.04317		439964	388990	C03274		C03274	LC/MS Polar
glycolate (hydroxyacetate)	4596	Xenobiotics	Chemical	15737	203	1790.4	159.01073	79-14-1	757	737	C00160	HMDB00115	C00160	LC/MS Polar
guanidinosuccinate	410	Amino Acid	Guanidino and Acetamido Metabolism	32446	100001212	3550	174.05203	6133-30-8	97856	88329	C03139	HMDB03157	C03139	LC/MS Polar
gulonate*	3467	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	46957	100001586	2750	195.05102	20246-53-1	9794176	7969943	C00257	HMDB03290	C00257	LC/MS Polar
hypotaurine	342	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	590	358	2763.4	108.01247	300-84-5	107812	96959	C00519	HMDB00965	C00519	LC/MS Polar
isocitric lactone	1079	Energy	TCA Cycle	54724	100009239	2970	173.00916	4702-32-3	98259	88729				LC/MS Polar
lactate	899	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	527	482	1468.8	89.02442	79-33-4	612	592	C00186	HMDB00190	C00186	LC/MS Polar
lactose	956	Carbohydrate	Disaccharides and Oligosaccharides	567	393	3500	387.11442	5965-66-2	84571	5904	C00243	HMDB00186	C00243	LC/MS Polar
maleate	1268	Lipid	Fatty Acid, Dicarboxylate	20676	100000707	2640	115.00368	110-16-7	444266	392248	C01384	HMDB00176	C01384	LC/MS Polar
malonate	1102	Lipid	Fatty Acid Synthesis	15872	818	3447	103.00368	141-82-2;26522-22-85-0	867	844	C00383	HMDB00691	C00383	LC/MS Polar
mandelate	3556	Xenobiotics	Benzoate Metabolism	22160	100000710	922	151.04006	90-64-2	1292	1253	C01984	HMDB00703	C01984	LC/MS Polar
mannitol/sorbitol	996	Carbohydrate	Fructose, Mannose and Galactose Metabolism	46142	100001740	2320	181.07176		5780	440	C00794	HMDB00247	C00794	LC/MS Polar
mannose	997	Carbohydrate	Fructose, Mannose and Galactose Metabolism	48153	803	2200	225.06159	3458-28-4	18950	141983	C00159	HMDB00169	C00159	LC/MS Polar
mesaconate (methylfumarate)	1093	Energy	TCA Cycle	18493	100000446	3000	129.01933	498-24-8	638129	10289044	C01732	HMDB00749	C01732	LC/MS Polar
methylmalonate (MMA)	1343	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	1496	418	3078.4	117.01933	516-05-2	487	473	C02170	HMDB00202	C02170	LC/MS Polar
methylsuccinate	296	Amino Acid	Leucine, Isoleucine and Valine Metabolism	15745	2051	2800	131.03498	498-21-5	10349	9922		HMDB01844		LC/MS Polar
myo-inositol	1623	Lipid	Inositol Metabolism	1124	363	3506.3	225.06159	87-89-8	892	10239179	C00137	HMDB00211	C00137	LC/MS Polar
N-acetylserine	10	Amino Acid	Glycine, Serine and Threonine Metabolism	37076	100001851	2000	146.04588	97-14-3	65249	58744		HMDB02931		LC/MS Polar
N-carbamoylalanine	33	Amino Acid	Alanine and Aspartate Metabolism	52340	100006369	2022	131.04621	77340-50-2	426409	377278				LC/MS Polar
N-carbamoylaspartate	3346	Nucleotide	Pyrimidine Metabolism, Orotate containing	1594	1108	3800	175.03604	923-37-5	93072	4573859	C00438	HMDB00828	C00438	LC/MS Polar
N-methyltaurine	345	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	42989	100004056	1650	138.02303	107-68-6	7882	7594				LC/MS Polar
N2-acetyllysine	89	Amino Acid	Lysine Metabolism	36751	100001721	3372.6	187.10881	1946-82-3	92907	83869	C12989	HMDB00446	C12989	LC/MS Polar
N6-acetyllysine	90	Amino Acid	Lysine Metabolism	36752	100001734	2612.6	187.10881	692-04-6	92832	83801	C02727	HMDB00206	C02727	LC/MS Polar
orotate	3348	Nucleotide	Pyrimidine Metabolism, Orotate containing	1505	445	1638.1	155.00983	50887-69-9	967	942	C00295	HMDB00226	C00295	LC/MS Polar
orotidine	3350	Nucleotide	Pyrimidine Metabolism, Orotate containing	35172	100001416	2250	287.05209	314-50-1	92751	83729		HMDB00788		LC/MS Polar
phenylacetylglutamate	868	Peptide	Acetylated Peptides	52925	100009045	2325	264.08774		11579826	9754592		HMDB59772		LC/MS Polar
pimelate (C7-DC)	1269	Lipid	Fatty Acid, Dicarboxylate	15704	100000101	2745	159.06628	111-16-0	385	376	C02656	HMDB00857	C02656	LC/MS Polar
pyruvate	898	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	48990	823	1083	87.00877	127-17-3	1060	96901	C00022	HMDB00243	C00022	LC/MS Polar
quinate	3939	Xenobiotics	Food Component/Plant	18335	100000442	2432.9	191.05611	77-95-2	6508	10246715	C00296	HMDB03072	C00296	LC/MS Polar
ribitol	917	Carbohydrate	Pentose Metabolism	15772	100000406	1789.6	151.06119	488-81-3	6912	10254628	C00474	HMDB00508	C00474	LC/MS Polar
ribonate	918	Carbohydrate	Pentose Metabolism	27731	100001007	2425	165.04046	1255190	5460677	4574162	C01685	HMDB00867	C01685	LC/MS Polar
ribulonate/xylulonate*	943	Carbohydrate	Pentose Metabolism	61858	100019968	2350	165.04046							LC/MS Polar
salicylate	4456	Xenobiotics	Drug - Topical Agents	1515	501	802	137.02422	69-72-7	338	331	C00805	HMDB01895	C00805	LC/MS Polar
scyllo-inositol	1626	Lipid	Inositol Metabolism	32379	100001215	3468	225.06159	488-59-5	892	10254646	C06153	HMDB06088	C06153	LC/MS Polar
sedoheptulose	942	Carbohydrate	Pentose Metabolism	53237	100002619	2255	209.06667	3019-74-7	5459879	4573620		HMDB03219		LC/MS Polar
suberate (C8-DC)	1272	Lipid	Fatty Acid, Dicarboxylate	15730	100000016	2577.6	173.08193	505-48-6	10457	10025	C08278	HMDB00893	C08278	LC/MS Polar
succinate	1083	Energy	TCA Cycle	1437	252	3149	117.01933	110-15-6	1110	1078	C00042	HMDB00254	C00042	LC/MS Polar
sucrose	974	Carbohydrate	Disaccharides and Oligosaccharides	1519	935	3092	387.11442	57-50-1	5988	5768	C00089	HMDB00258	C00089	LC/MS Polar
threonate	3463	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	27738	100001022	2384	135.02989	70753-61-6	151152	133224	C01620	HMDB00943	C01620	LC/MS Polar
tricarballylate	1090	Energy	TCA Cycle	15729	2053	4200	175.02481	99-14-9	14925	14220	C19806	HMDB31193	C19806	LC/MS Polar
xylose	922	Carbohydrate	Pentose Metabolism	15581	826	1727	195.05103	609-06-3	135191	85957	C00181	HMDB00098	C00181	LC/MS Polar
METABOLITES_END
#END