#METABOLOMICS WORKBENCH huntermoseley_20200822_083525 DATATRACK_ID:2140 STUDY_ID:ST001460 ANALYSIS_ID:AN002435 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	August 26, 2020, 1:11 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation
PR:PROJECT_SUMMARY               	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
PR:PROJECT_SUMMARY               	curative treatment option for a variety of hematological malignancies.
PR:PROJECT_SUMMARY               	Interactions between the donor immune system and the patient tissue result in a
PR:PROJECT_SUMMARY               	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
PR:PROJECT_SUMMARY               	three sequential phases: cytokine storm and activation of the antigen-presenting
PR:PROJECT_SUMMARY               	cells (APC), donor T cell activation and effector cell phase. Idiopathic
PR:PROJECT_SUMMARY               	pneumonia syndrome (IPS) is one of the most deleterious complications after
PR:PROJECT_SUMMARY               	allogeneic HCT and is considered not only to be related to conditioning regimen
PR:PROJECT_SUMMARY               	toxicity but also represents an end organ damage caused by allo-reactive T
PR:PROJECT_SUMMARY               	cells, therefore making the lung susceptible to a two-pronged attack, one of
PR:PROJECT_SUMMARY               	which overlaps with GVHD causing other target organ injury. IPS results in
PR:PROJECT_SUMMARY               	mortality of up to 90% of patients. We will use a murine model of IPS and GVHD
PR:PROJECT_SUMMARY               	which is well established in our group, and in which disease evolves either
PR:PROJECT_SUMMARY               	across disparities in major histocompatibility complex (MCH) class I and II,
PR:PROJECT_SUMMARY               	minor histocompatibility antigens (miHags) or both. Metabolomics changes
PR:PROJECT_SUMMARY               	following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine
PR:PROJECT_SUMMARY               	storm phase) and Days +42 (cellular effector phase) are compared to baseline
PR:PROJECT_SUMMARY               	wild-type (naive) controls. Prior to analysis, naïve - and experimental mice
PR:PROJECT_SUMMARY               	(N=3 from each group) were fed with semi-liquid diet supplemented with tracers
PR:PROJECT_SUMMARY               	(13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively,
PR:PROJECT_SUMMARY               	feces and aGVHD target organs (colon, liver and lung) were collected from all
PR:PROJECT_SUMMARY               	groups and further processed and / or analyzed. We expect to reveal metabolic
PR:PROJECT_SUMMARY               	pathways affected after allo-HCT which contribute to immune cell mediated lung
PR:PROJECT_SUMMARY               	injury (IPS) and will potentially identify different metabolic pathways in other
PR:PROJECT_SUMMARY               	GVHD target organs.
PR:INSTITUTE                     	University of Kentucky
PR:DEPARTMENT                    	Markey Cancer Center, Hematology and Blood and Marrow Transplant
PR:LAST_NAME                     	Hildebrandt
PR:FIRST_NAME                    	Gerhard
PR:ADDRESS                       	Gerhard C. Hildebrandt, MD, Room no. CC401A, Ben Roach Building, Markey Cancer
PR:ADDRESS                       	Center University of Kentucky, Lexington, 40536
PR:EMAIL                         	gerhard.hildebrandt@uky.edu
PR:PHONE                         	800-333-8874
#STUDY
ST:STUDY_TITLE                   	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation
ST:STUDY_TITLE                   	- Lung NMR HSQC
ST:STUDY_TYPE                    	preliminary data
ST:STUDY_SUMMARY                 	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
ST:STUDY_SUMMARY                 	curative treatment option for a variety of hematological malignancies.
ST:STUDY_SUMMARY                 	Interactions between the donor immune system and the patient tissue result in a
ST:STUDY_SUMMARY                 	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
ST:STUDY_SUMMARY                 	three sequential phases: cytokine storm and activation of the antigen-presenting
ST:STUDY_SUMMARY                 	cells (APC), donor T cell activation and effector cell phase. Idiopathic
ST:STUDY_SUMMARY                 	pneumonia syndrome (IPS) is one of the most deleterious complications after
ST:STUDY_SUMMARY                 	allogeneic HCT and is considered not only to be related to conditioning regimen
ST:STUDY_SUMMARY                 	toxicity but also represents an end organ damage caused by allo-reactive T
ST:STUDY_SUMMARY                 	cells, therefore making the lung susceptible to a two-pronged attack, one of
ST:STUDY_SUMMARY                 	which overlaps with GVHD causing other target organ injury. IPS results in
ST:STUDY_SUMMARY                 	mortality of up to 90% of patients. We will use a murine model of IPS and GVHD
ST:STUDY_SUMMARY                 	which is well established in our group, and in which disease evolves either
ST:STUDY_SUMMARY                 	across disparities in major histocompatibility complex (MCH) class I and II,
ST:STUDY_SUMMARY                 	minor histocompatibility antigens (miHags) or both. Metabolomics changes
ST:STUDY_SUMMARY                 	following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine
ST:STUDY_SUMMARY                 	storm phase) and Days +42 (cellular effector phase) are compared to baseline
ST:STUDY_SUMMARY                 	wild-type (naive) controls. Prior to analysis, naïve - and experimental mice
ST:STUDY_SUMMARY                 	(N=3 from each group) were fed with semi-liquid diet supplemented with tracers
ST:STUDY_SUMMARY                 	(13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively,
ST:STUDY_SUMMARY                 	feces and aGVHD target organs (colon, liver and lung) were collected from all
ST:STUDY_SUMMARY                 	groups and further processed and / or analyzed. We expect to reveal metabolic
ST:STUDY_SUMMARY                 	pathways affected after allo-HCT which contribute to immune cell mediated lung
ST:STUDY_SUMMARY                 	injury (IPS) and will potentially identify different metabolic pathways in other
ST:STUDY_SUMMARY                 	GVHD target organs.
ST:INSTITUTE                     	University of Kentucky
ST:DEPARTMENT                    	MCC
ST:LAST_NAME                     	Hildebrandt
ST:FIRST_NAME                    	Gerhard
ST:ADDRESS                       	CTW-453, 900 South Limestone street. UKY. Lexington, Kentucky-40536
ST:EMAIL                         	gerhard.hildebrandt@uky.edu
ST:PHONE                         	800-333-8874
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=14_C1-2_allogenic_7days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage29']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.5284; weight%units=g; lineage_4=29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=0.31985855339373337; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=14_C1-2_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=12_B1-2_syngenic_7days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage27']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3857; weight%units=g; lineage_4=27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=0.3397343460300001; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=12_B1-2_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:naive	lineage_1=01_A0_naive_0days_UKy_GCH_rep1; protocol.id=['naive']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=16_A0_Lung_naive_0days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage16']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3883; weight%units=g; lineage_4=16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-protein; protein_weight=0.6757957582975501; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=01_A0_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:naive	lineage_1=03_A2_naive_0days_UKy_GCH_rep3; protocol.id=['naive']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=18_A2_Lung_naive_0days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage18']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3862; weight%units=g; lineage_4=18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-protein; protein_weight=0.14664251664539998; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=03_A2_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=05_B1_syngenic_42days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage20']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3852; weight%units=g; lineage_4=20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=0.2959754761535626; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=05_B1_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=08_C1-2_allogenic_42days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage23']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3594; weight%units=g; lineage_4=23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=1.1547210188083492; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=08_C1-2_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=04_B0_syngenic_42days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage19']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3682; weight%units=g; lineage_4=19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=0.5600416771907997; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=04_B0_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=06_B2_syngenic_42days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage21']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3756; weight%units=g; lineage_4=21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-protein; protein_weight=0.3382559813306206; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=06_B2_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=09_C2-0_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage24']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3821; weight%units=g; lineage_4=24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=0.6075844437094541; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=09_C2-0_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=10_B1-0_syngenic_7days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage25']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.386; weight%units=g; lineage_4=25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=0.47147932892528355; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=10_B1-0_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=13_C1-1_allogenic_7days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage28']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4157; weight%units=g; lineage_4=28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=0.37226618572882475; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=13_C1-1_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=11_B1-1_syngenic_7days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage26']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3747; weight%units=g; lineage_4=26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=0.34798720067708344; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=11_B1-1_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:naive	lineage_1=02_A1_naive_0days_UKy_GCH_rep2; protocol.id=['naive']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=17_A1_Lung_naive_0days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage17']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3436; weight%units=g; lineage_4=17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-protein; protein_weight=0.6112704400619461; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=02_A1_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=15_C1-20_allogenic_7days_UKy_GCH_rep3; protocol.id=['allogenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage30']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3879; weight%units=g; lineage_4=30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=0.4930096320820004; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=15_C1-20_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=07_C1-1_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage22']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3871; weight%units=g; lineage_4=22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=1.3767591694919588; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=07_C1-1_13C6-Glc_UKy_GCH_Ms_lung_gHSQCAD_01.fid/fid
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse is sacrificed and tissues are harvested.
CO:COLLECTION_PROTOCOL_ID        	mouse_tissue_collection
CO:SAMPLE_TYPE                   	Multiple tissues
#TREATMENT
TR:TREATMENT_SUMMARY             	Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet
TR:TREATMENT_SUMMARY             	supplemented with fully labeled glucose for 24 hours before harvest. Mouse with
TR:TREATMENT_SUMMARY             	no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose
TR:TREATMENT_SUMMARY             	for 24 hours before harvest. Mouse with syngenic bone marrow transplant. Fed
TR:TREATMENT_SUMMARY             	with semi-liquid diet supplemented with fully labeled glucose for 24 hours
TR:TREATMENT_SUMMARY             	before harvest.
TR:TREATMENT_PROTOCOL_ID         	allogenic naive syngenic
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen tissue is ground in a SPEX grinder under liquid nitrogen to homogenize
SP:SAMPLEPREP_SUMMARY            	the sample. Tissue is frozen in liquid nitrogen to stop metabolic processes.
SP:SAMPLEPREP_SUMMARY            	Polar extraction from homogenate, lypholized, and frozen. Protein extraction and
SP:SAMPLEPREP_SUMMARY            	quantification.
SP:SAMPLEPREP_PROTOCOL_ID        	protein_extraction; frozen_tissue_grind; tissue_quench; polar_extraction
SP:SAMPLEPREP_PROTOCOL_FILENAME  	4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf; 4D_17Jun4_Fan_Prot_Quant.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
#NMR
NM:INSTRUMENT_NAME               	Agilent 600
NM:INSTRUMENT_TYPE               	Agilent 600
NM:NMR_EXPERIMENT_TYPE           	HC-HSQC
NM:STANDARD_CONCENTRATION        	0.5 mM
NM:SPECTROMETER_FREQUENCY        	600 MHz
NM:NMR_PROBE                     	cryogenic triple resonance HCN
NM:NMR_SOLVENT                   	D20
NM:NMR_TUBE_SIZE                 	1.7 mm
NM:SHIMMING_METHOD               	gradient shimming
NM:PULSE_SEQUENCE                	gHSQCAD
NM:WATER_SUPPRESSION             	presaturation
NM:CHEMICAL_SHIFT_REF_CPD        	DSS
NM:TEMPERATURE                   	15 celsius
NM:ACQUISITION_TIME              	2 s
NM:RELAXATION_DELAY              	4 s
NM:BASELINE_CORRECTION_METHOD    	Bernstein Polynomial
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	normalized peak area
NMR_METABOLITE_DATA_START
Samples	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Factors	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:naive	Treatment Protocol:naive	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:naive	Treatment Protocol:allogenic	Treatment Protocol:allogenic
AXP-1'_1	26.40760404001792	9.039271816746838	6.051353796795649	4.462505898874794	4.684851129638833	20.74827696368287	13.81699825684117	10.51272464314843	43.92696913329419	21.52358015767358	6.441375258279031	4.345300560566886	9.682088136630101	16.81496592872274	8.219746007660284
AXP-1'_2															2.832099804624011
AXP-2_1	3.099763887138852	2.508729328510752	2.465630075862531	2.636444835965149	0.5447033324231522	0.3171077589380195	1.243009195448877	2.455583867301609	8.316564270029698	5.286119383625488	7.36462537611061	3.292293576364786	2.122489178783557	3.861363115267904	1.001199360817605
AXP-8_1	0.7684351317623923	1.369158687143802	0.09636758257507522	0.5199874732210333	4.454218737497699	0.7500990930657742	4.164510010961791	2.04080232438951	4.549648170888623	2.194173216968797	2.256436030622968		1.581116021548546	2.385889876740265	0.8791289090586817
Ace-2_1									9.201988853908436						
Ala-3_1	19.28726602735465	25.11205614201537	13.46289771852055	7.267155283596199	8.094138928207686	14.32988540144569	15.23987128406363	31.35864357539538	63.96280832748442	16.96358064921738	16.98539074112008	12.63889524230585	17.9144869320814	23.62617974027696	17.35944750167177
Ala-3_2	10.10945153705459		6.248103064216701		5.036276332221283	18.70266447046346	7.769231936091338	33.10740863774024	65.42330499415841	15.23825196509958			13.06400214440536	15.87875338850055	8.636967813508775
Asp-3b_1	11.36579421460837	8.064911678316273	1.519370453385877	2.3959621521689	2.419521925027679	13.49202747288558	9.329929481681754	16.80277785834007	47.71168629878088	14.52849294767455	5.728341945419517	10.4232319008556	7.369803313091052	17.09299506054247	2.469132597438783
Asp-3b_2	12.79676206665156	6.744300130420299	4.639644619884503		2.153902094597956	7.36964904104185	5.485314838043246	16.56969456683603	30.20672815356597	13.85262954957766	5.996648757192804	1.238255253794013	11.16101590377429	11.88805496900186	0.6316433495148177
CXP-6_1	2.224087196605944		1.48351788624908		1.765705885410852	0.3700538954323866	1.772381905002998	1.721466001756131	2.18433629760881	0.2965697251177748	3.321602966914788	0.4531672181919748		0.5757624407553777	
CXP-6_2			3.560827877389022												
DSS_1	3.993732210084832	3.038872202040535	4.058605480665964	3.498666666309294	3.515045367516226	4.178915351895735	3.860940974458759	2.901359057169617	3.780333348360618	3.519453452852863	4.254720991266232	4.239397320409966	3.813409448946962	3.292453579897137	3.573489197835663
GSH+GSSG-3_1				1.407936063358546	9.926217309691197	23.55852932952372	0.138115547196995					14.15656004900689			
GSH+GSSG-4_1	6.45087299687707	2.433987933537595	0.556619610886712	0.1050058966444097	0.1967872280593244	2.395820873977633	0.173109199404528	0.5635043480786999	10.86312621537679	3.779127433941862	1.465840031656949	2.067172107249132	2.17625369936148	2.824883756251602	0.1713784607835942
GSH+GSSG-4_2	0.21952024599774	3.671544328688329	0.4898002436050454	0.2509879262658648	0.3350590302621514	1.54995060077206	0.780206846970956	1.685590788938631	5.473831104627201	4.950901976937711	1.606189295091104	1.738492740266407	5.024542670992277	1.72495126405875	1.866647456747078
GSH+GSSG-4_3	0.8910559854324261	0.1330674985754556	0.4975488045647096	0.4836973646685656	0.3857721023865553	1.257990396324605	1.663489300460705	5.4162937861537		2.288608913156432	0.03034514197719348	0.3466602605835146		1.097728295457682	1.559733865341734
GSH+GSSG-4_4	0.6375911397379252		0.2637527471101226	0.3882988859324589	0.393115072709738	1.323455838253844	0.06499411739043534	0.4638669495003971				0.1253769693816427			0.04672978470301301
GSH+GSSG-4_5				0.07400326813064133				0.242500274749503							
Gln-3_1	28.78233320249895	15.71396702981025	10.5839954575616	3.949468863238969	8.751319940178417	0.8778539792483994	0.9788092707551024	39.3871310989075	83.21735170122328	38.19211584504775	20.35630983615927	0.5943486187809288	10.95255254893355	70.24101851007148	8.612839937039475
Gln-3_2				1.73943462934455			6.84306895417294								
Gln-4_1	6.88252505445167	3.182590528785811	2.128424791213757		0.09103857183223366	0.675799583581567	1.516400502925318	7.01093300911467	9.33693825173641	0.9160269171532681	2.93019677189048	3.011681474236478	9.549188167521768	6.700280622432746	4.120070349879435
Gln-4_2	1.263850243988125	2.184691716155832	1.272762814472607			2.170798960521991	2.639560108807023	5.41775665874365	10.06209920411248	3.5718019535407	0.9480845805579599			1.809024788256019	2.493230825158754
Gln-4_3	6.030588022689606		0.6539610898348532							2.50255585582117	0.9323422564731966			5.723655283026943	
Gln-4_4										10.36098692319917					
Glu-3-a_1	56.64885026586802	4.768486405250959	8.857696112425476	2.344382905186013	4.102983429688574	2.7091511725413	12.04774074018927	53.15021705750867	181.51634560348	69.41295442398153	7.635435319704936	0.7555995727753084	17.7712952464435	45.48967395631462	1.917684420559786
Glu-3-a_2		2.35833346112084	10.05138701331577	3.484898358909829	5.258305507373461	45.5980621052338	3.426652689316178				4.234120743581087	0.4112399367712178	0.2331392948280419	7.892014632895955	2.539219610592107
Glu-3-a_3		21.90080149618848	7.881122440910317		4.821227494251629	5.795982057067723	30.10490646893318				17.59131190960354	1.508957568721364	16.10412366650401	4.631055036696582	2.683276051109536
Glu-3-a_4					5.888574551975836							11.77330257589049			5.839057885147923
Glu-3-a_5															6.889996282917691
Glu-3-b_1	57.5646664049979	58.36225146854037	37.35608789831367	8.358813072400283	6.34724285714441	67.48058286496455	63.95104162605271	78.774262197815	166.4347034024466	76.3842316900955	40.71261967231854	27.98277758426448	100.0490094826573	8.08199843897748	80.47353911217482
Glu-3-b_2					13.63347232265605										
Glu-4_1	31.93595464328705	27.78513911555092	17.32416614254672	1.627650784911801	10.65531345539901	25.99731330923887	18.79439323713807	49.01970849658129	89.7014347259649	24.33596936996235	22.33136444672714	3.042857386336223	25.0681186482183	43.6739682585851	13.70707754992765
Glu-4_2				1.180601535119669								3.797137620998463			
Glu-4_3				1.627678313375144											
Gly_1	11.17477715494425	7.336970145785372	8.421075672052426	4.747296863503098	14.27426161186498	9.162077681890583	7.51990772787596	11.53493917647299	23.57041749623658	16.38292566809561	7.390274167729928	6.257413166112022	13.97514564177545	12.23986268611388	14.88848441260696
Glycogen_1	8.018282155449784	7.965997687633291	1.335960357950937	0.3103698293823754	5.841859399515223	12.69754096561619	3.976383085764673	33.08181550270535	34.40492710107146	17.21738621422023	2.921653775069233	1.109390408890076	6.234538983196813	5.642723608202744	0.6592866602010409
Glycogen_2				0.4716856679952891											
Lac-2_1	69.7939098223973	24.76428188879026	60.96351433054401	7.146858889871684	21.02197595303462	38.8926678561095	15.03877043636968	40.00348155156236	78.2008667761459	53.09593361024601	15.94279280473895	16.97766355059344	57.30736173222908	62.58227304466717	47.02630373575384
Lac-2_2	13.93796265142454	10.61895710931564	10.63477639132573	11.6056171071048	-4.172922453870706	33.73424907706095	19.73013618573467	43.71343019657986	76.86439899546977	41.19985433216476	8.947042357487284	12.47574977410014	26.35266965605965	49.68364490293543	21.80868304489859
Lac-2_3		35.96843021973991			32.04559423466767						9.154507504470294				
Lac-3_1	103.7522323176778	71.35743802306303	84.84635416957121	25.54122201110923	46.76934960416931	60.6954498347303	61.10677234937927	109.2679527045211	267.5406065555259	103.7671110484951	50.80690083963188	45.37732165150425	96.1912272187234	110.7518237484007	75.22329299923159
Lac-3_2	59.0290402298136	56.91131687851782	52.7208680630944	14.073039383339	30.26338436248696	55.18982159621563	25.60920441716221	92.49247580154095	215.7916497136117	65.81591573229967	46.75618042995438	30.7302541002136	52.56311148719951	65.54005938564184	58.77610273655051
NAD+-A1'_1	1.701712125804509	1.831055114420716	1.502014817851093	1.870010553935515	0.6300552496800057	0.7774911487144324	0.4284003832292242	3.355168150003294	6.374509227780504	0.9782527566290548	0.3229702544517254	2.820722084252627	0.7647655965205701	3.564061088618107	
NAD+-A1'_2							0.1641360992447716						0.2574649678664002	1.070276789689862	
NAD+-N1'_1	3.102614481624151	0.29543797908882	1.307147533332329	0.7215583378590743	0.6077751473051438	5.288249137109227	1.539445456459842	0.5424205241434561	9.17685352844336	7.711547806023736	0.1000532182115873	2.428408052603836	3.575259989350523	10.93586791638191	0.6745039990669326
NAD+-N1'_2							0.9256175225541692	0.4692541867110285	6.154987649858422		0.05389015815972539	1.103010594677247	3.193581633844515		0.6412071997989288
Nicotin-2_1	1.556422922562517	0.1715872527466766	2.530708678484963	2.632072030077223	2.203691738031255	2.793524695191069	0.1193312174579147	1.626664486195061	1.7149216808255	3.229310276443751	0.6068155716329817	0.4160136229806028	4.801856375160281	2.256757783600128	0.004308868146732792
Nicotin-6_1	3.23589666421247	0.2067887746143828	0.7560983894906564	0.06602001752666174	3.653847115565133	0.6741933483141022	0.2792859532414051		1.467362766466175	1.145717020847512	4.078421684699764		2.267206978187519		
P-Cho A_1	2.893116912651139	2.368981252986498	5.068368407654971		3.151741644077491	5.367567020973105	3.900645513166329	4.682113031767859	18.5998707369221	11.04203221263624	2.525536907495163	2.277268010762131	4.043392247191713	3.460102755315279	4.742225764786865
Succinate-2,3_1	1.498147890485333	1.763658289589751	1.810564445364176	0.3690702672815278	0.0377326354333771	2.361745173763167		4.127460994836341	6.716165851894387	4.903775050325949	0.5155940782065741	0.4967538469582294	1.391690624174096	1.314541284889026	0.2661025070995867
UXP-1'_1	8.13221678170012	1.980488289857661	10.52272682921159	2.30525238914674	2.881267425414594	8.20244906756356	3.210842212049619	6.490758071731675	74.92268220342831	7.333966006375265	4.43713019363272	2.452664336628265	0.6249905376736028	14.08531556233143	2.886097582130728
aGlc_1	58.78418806073994	73.96647535427545	102.7715442904196		89.6264469458638	94.28092653102084	60.04531534998311	127.6521024691763	228.8490320289226	169.5594485545096	68.26995533822318	57.80233022360042	112.770569524343	91.94615939173691	54.9062736956285
bGlc_1	54.32634264817055	34.98402164230558	66.1553831283207	13.50326285771857	20.62049230866127	43.93812819405086	31.04028875375313	48.29410006207813	91.1476721115095	90.70395257373714	27.25671472258037	25.8048990474967	60.42920586074544	48.68281583383366	38.61213176855605
bGlc_2	11.19527097710706	24.64243417240976	22.16183944543756	8.946508338568117	23.56940642510862	38.83303485096003	13.29700324376869	65.48242771612804	115.5074555419828	82.03857081774437	20.61405379986846	13.64805516317669	17.71751692490133	33.30455295058278	22.09812329542907
m-Ins-2?_1						8.971314709625695						4.886878013682263			
pyruvate-3_1					1.007904601865332							1.625598176396158			0.9320542534749284
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	base_inchi	isotopic_inchi	peak_description	peak_pattern	proton_count	representative_inchi	transient_peak	transient_peak%type
AXP-1'_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:13C10]HResonance + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:1H38]J3HH']		1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
AXP-1'_2	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:13C10]HResonance + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:1H38]J3HH']		1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	2	integer
AXP-2_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i2+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i2+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i2+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H26:13C2]Hresonance', ' [1H30:13C2]Hresonance', ' [1H34:13C2]Hresonance']		1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
AXP-8_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i3+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i3+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i3+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H27:13C3]Hresonance', ' [1H31:13C3]Hresonance', ' [1H35:13C3]Hresonance']		1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
Ace-2_1	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1/i1+1H3/fC2H3O2/q-1	['[1H5', '1H6', '1H7:13C1]HResonance']		3	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	1	integer
Ala-3_1	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	1	integer
Ala-3_2	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	2	integer
Asp-3b_1	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1+1H2,2H/fC4H6NO4/h5H/q-1	['[1H10', '1H11:13C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']		1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	1	integer
Asp-3b_2	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1+1H2,2H/fC4H6NO4/h5H/q-1	['[1H10', '1H11:13C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']		1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	2	integer
CXP-6_1	['InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O14P3/h10H2/q-4']	['[1H23:13C2]HResonance + [1H23:1H22]J3HH', ' [1H27:13C2]HResonance + [1H27:1H26]J3HH', ' [1H31:13C2]HResonance + [1H31:1H30]J3HH']		1	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H12N3O14P3/h10H2/q-4']	1	integer
CXP-6_2	['InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O14P3/h10H2/q-4']	['[1H23:13C2]HResonance + [1H23:1H22]J3HH', ' [1H27:13C2]HResonance + [1H27:1H26]J3HH', ' [1H31:13C2]HResonance + [1H31:1H30]J3HH']		1	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H12N3O14P3/h10H2/q-4']	2	integer
DSS_1	InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/i4D2,5D2,6D2	InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i1+1H3,2+1H3,3+1H3,4D2,5D2,6D2/fC6H15O3SSi/q-1	['[1H12', '1H13', '1H14:13C1+1H15', '1H16', '1H17:13C2+1H18', '1H19', '1H20:13C3]Hresonance']		9	InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i4D2,5D2,6D2/fC6H15O3SSi/q-1	1	integer
GSH+GSSG-3_1	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1+1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1+1H2,2+1H2,3H2,4H2,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:13C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:13C1+1H43,1H44:13C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']		2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	1	integer
GSH+GSSG-4_1	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+1H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	1	integer
GSH+GSSG-4_2	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+1H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	2	integer
GSH+GSSG-4_3	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+1H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	3	integer
GSH+GSSG-4_4	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+1H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	4	integer
GSH+GSSG-4_5	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+1H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	5	integer
Gln-3_1	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1+1H2,2H2,3H/f/h6-8H/b7-4+	['[1H11', '1H12:13C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	1	integer
Gln-3_2	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1+1H2,2H2,3H/f/h6-8H/b7-4+	['[1H11', '1H12:13C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	2	integer
Gln-4_1	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	1	integer
Gln-4_2	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	2	integer
Gln-4_3	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	3	integer
Gln-4_4	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	4	integer
Glu-3-a_1	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	1	integer
Glu-3-a_2	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	2	integer
Glu-3-a_3	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	3	integer
Glu-3-a_4	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	4	integer
Glu-3-a_5	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	5	integer
Glu-3-b_1	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	1	integer
Glu-3-b_2	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	2	integer
Glu-4_1	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2+1H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:13C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	1	integer
Glu-4_2	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2+1H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:13C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	2	integer
Glu-4_3	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2+1H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:13C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	3	integer
Gly_1	InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)	InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1H2/f/h3H	['[1H6', '1H7:13C1]HResonance']		2	InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/f/h3H	1	integer
Glycogen_1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23+1H	[1H72:13C23]HResonance + [1H72:1H66]J3HH		1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1	1	integer
Glycogen_2	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23+1H	[1H72:13C23]HResonance + [1H72:1H66]J3HH		1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1	2	integer
Lac-2_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac-2_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
Lac-2_3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	3	integer
Lac-3_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac-3_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
NAD+-A1'_1	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H62:13C21]HResonance + [1H62:1H60]J3HH		1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1	1	integer
NAD+-A1'_2	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H62:13C21]HResonance + [1H62:1H60]J3HH		1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1	2	integer
NAD+-N1'_1	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H61:13C20]HResonance + [1H61:1H59]J3HH		1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1	1	integer
NAD+-N1'_2	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H61:13C20]HResonance + [1H61:1H59]J3HH		1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1	2	integer
Nicotin-2_1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i8+1H	[1H25:13C8]HResonance		1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	1	integer
Nicotin-6_1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6+1H	[1H22:13C6]HResonance + [1H22:1H16]J3HH		1	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	1	integer
P-Cho A_1	InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1	InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i1+1H3,2+1H3,3+1H3/fC5H13NO4P/q-1	['[1H12', '1H13', '1H14:13C1+1H15', '1H16', '1H17:13C2+1H18', '1H19', '1H20:13C3]Hresonance']		9	InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1	1	integer
Succinate-2,3_1	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2	InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2/i1+1H2,2+1H2/fC4H4O4/q-2	['[1H9', '1H10:13C1+1H11', '1H12:13C2]Hresonance']		4	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2	1	integer
UXP-1'_1	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i7H,8+1H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i7H,8+1H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i7H,8+1H/fC9H11N2O15P3/h10H/q-4']	['[1H29:13C8]HResonance + [1H29:1H28]J3HH', ' [1H33:13C8]HResonance + [1H33:1H32]J3HH', ' [1H37:13C8]HResonance + [1H37:1H36]J3HH']		1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	1	integer
aGlc_1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.35	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	1	integer
bGlc_1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.65	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	1	integer
bGlc_2	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.65	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	2	integer
m-Ins-2?_1	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2+1H,4H/t1-,2+,3+,4+,5-,6-	[1H15:13C3]HResonance + [1H15:1H13]J3HH + [1H15:1H17]J3HH		1	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	1	integer
pyruvate-3_1	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1	InChI=1/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1/i1+1H3/fC3H3O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance']		3	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1	1	integer
METABOLITES_END
EXTENDED_NMR_METABOLITE_DATA_START
metabolite_name	chemical_shift	peak_area	peak_height	peak_width	sample_id
AXP-1'_1	6.140930557856694	6.051353796795649	0.22310900311925	10.34787449707584	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.138235717671325	9.682088136630101	0.2924786211063936	12.62959528872904	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.137609155687388	4.462505898874794	0.1536058328721234	11.08379808551898	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.137492484848237	13.81699825684117	0.2980331977909093	17.6874451939905	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.144837571508773	4.684851129638833	0.1812824660081821	9.859499536361641	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.139521916216222	10.51272464314843	0.3427292159696202	11.70258465718414	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.135466386058206	8.219746007660284	0.2389636592238455	9.811315592110422	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.143750508652085	20.74827696368287	0.4946741449868799	12.83422421194911	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.144338813262667	43.92696913329419	1.047757586340283	13.45980473395772	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.1416243696499	21.52358015767358	0.5574228340821448	13.02887372354511	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.139553483082373	4.345300560566886	0.1666035228663279	9.250345584277387	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.140787835308999	9.039271816746838	0.2877929701605874	11.98305721165131	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.140452172016065	6.441375258279031	0.1964143822058902	12.27331189597519	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.139283488450624	26.40760404001792	0.4032011801220514	19.20277014554042	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.140289259105357	16.81496592872274	0.3480534155580416	16.91832219400648	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_2	6.146960822319806	2.832099804624011	0.1475450984668343	7.323215479582311	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.25888843041048	2.465630075862531	0.1182847679640191	7.952702464341559	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.253964410749854	2.122489178783557	0.1192761906965313	6.789003272033215	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.275977838588927	2.636444835965149	0.1531467771341484	6.567878548024467	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.253081418625822	1.243009195448877	0.06810081557841395	6.963665586297436	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.254510462849423	0.5447033324231522	0.03403356869667526	6.106148552688981	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.256764561770032	2.455583867301609	0.1006702754851761	9.30612962308601	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.256864651837462	1.001199360817605	0.08795476633521764	4.342877493880374	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.25216847432685	0.3171077589380195	0.0336866728500812	3.59139257892747	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.254015448985133	8.316564270029698	0.3076567342155923	10.31322604790151	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.253959184701383	5.286119383625488	0.1674859851491535	9.421506080110136	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.25768658302363	3.292293576364786	0.1080984211235066	11.61967094001987	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.265426093875085	2.508729328510752	0.07539492870553119	12.69484428186276	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.252611798069081	7.36462537611061	0.1691979588803012	13.20771796087176	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.252329443514805	3.099763887138852	0.1858056679256198	6.364821645112693	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.252696905967733	3.861363115267904	0.1805214102571201	8.1607461219918	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.512725664426405	0.09636758257507522	0.01349922036909005	2.723562312890813	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.532394823677532	1.581116021548546	0.1023115363859136	5.895964272999943	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.529373691766162	0.5199874732210333	0.03795825305464094	4.41752061373898	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.538884499620925	4.164510010961791	0.1615384300926806	9.835646860832185	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.54050352372942	4.454218737497699	0.1786218610440962	8.041347880758744	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.526490242181504	2.04080232438951	0.08916350611818681	7.380838842154946	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.539450220835118	0.8791289090586817	0.0793636616062202	4.226180884672869	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.526058950801653	0.7500990930657742	0.04561491941662546	5.302780475124774	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.540781433889952	4.549648170888623	0.2065569996838993	8.403376804765012	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.542413127021456	2.194173216968797	0.1456310691721234	5.748241547860605	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.52550050071426	1.369158687143802	0.0787727674335029	6.631215658911735	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.543692191655804	2.256436030622968	0.123136722932822	6.991193622665164	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.54146260174339	0.7684351317623923	0.06264475723628708	4.679930929088161	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.54232477599862	2.385889876740265	0.1199198129443138	7.590612065672445	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.906913861650448	27.60596656172531	0.4953972280824556	15.55501140139689	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.462354118312802	40.38869315556165	1.278587123662779	9.387869928573183	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.461862788898565	53.74346079624419	1.789894710292992	8.842291679145674	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.464972898642681	21.8014658507886	0.5382857196665446	15.44374281117869	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.463336387216805	45.7196138521909	1.406519346177578	9.666495593218407	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.461134747428007	24.28241678462306	0.9291327249722936	8.610218564913936	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.461767514991669	94.07593072618614	3.145335553930139	8.776855370672987	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.462822299421818	52.07834250501532	1.49039546435703	9.754926473569743	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.462438844457851	42.98965620433707	1.53305414641	8.351431809258766	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.463990503875846	191.8884249824533	6.364911102135015	8.829336500359288	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.463018200164253	50.89074194765215	1.880938204584709	8.309403048060954	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.468629145612564	37.91668572691754	0.8295312837399639	17.42919480381853	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.46874416443301	75.3361684260461	1.774135060394825	16.19185380389483	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.467589605514433	50.95617222336024	1.247542810362134	15.57474924395482	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.46125902952472	57.86179808206396	1.837400794397098	9.161549437985933	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.462961947316504	70.87853922083089	2.053963312215139	10.26892297198273	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.475087056343949	18.7443091926501	0.876468215297148	7.796632885986132	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474389262605654	39.19200643321608	1.518325484482881	8.183510937862868	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.47619799318711	23.30769580827402	0.9889554432299009	7.993304137448917	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.473880085129204	15.10882899666385	0.8005230241637237	7.20069462512852	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.474520213553439	99.32222591322073	3.293949748381563	8.868630614532812	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.475516065553102	25.91090344052633	1.076811899641803	7.925589627072985	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475203916459223	56.10799341139039	1.725471254882427	9.402452048856901	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.476387464666409	196.2699149824753	6.447773192867837	8.870597079560827	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475383416569185	45.71475589529873	1.75397250932317	8.39737304292028	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.473992668273313	30.32835461116378	1.328114192857223	8.712216757490562	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.4751465900862	47.63626016550165	1.738307399097219	8.082628790467906	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.787134027629223	1.519370453385877	0.1066520733620017	5.43513442002731	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.788468215454108	7.369803313091052	0.2828327955792886	9.941283059801824	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.821895266815031	2.3959621521689	0.1320398766774301	6.922943996405241	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.790116897741853	9.329929481681754	0.3318478618828005	9.344656597811404	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.786197214402495	2.419521925027679	0.1361123842468583	6.660601169437655	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.787153489781756	16.80277785834007	0.5403039854103676	10.10326025753382	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.788722192591088	2.469132597438783	0.1262608163792322	7.15166304340375	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.788940053076274	13.49202747288558	0.4301789861956822	10.24580446308939	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.790998303388557	47.71168629878088	1.334963050553863	10.83447371697765	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.785765333034845	14.52849294767455	0.5067293812363921	10.36330588016816	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.789873387946011	10.4232319008556	0.200043585172984	16.2297969145131	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.785864860711088	8.064911678316273	0.2884961513833942	9.4397394112253	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.789029604411957	5.728341945419517	0.2423824663389385	9.01659867144765	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.787697966376287	11.36579421460837	0.4404209181517295	9.845706570695405	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.789055578251143	17.09299506054247	0.4718094635666644	12.26448711090956	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.819284892332248	4.639644619884503	0.2142922770578811	7.188363006692767	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.818657707543247	11.16101590377429	0.2824895661475942	11.31805842922353	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.818335982787879	5.485314838043246	0.2487726179665743	8.412324639019728	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.819991898790839	2.153902094597956	0.1135657256605077	7.235943101351041	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.817721496287447	16.56969456683603	0.4664790528628047	11.8424889433523	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.816157195711948	0.6316433495148177	0.05339846351037189	4.51294230599482	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.82020879606289	7.36964904104185	0.3110948414273116	9.037948176456815	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.821275439745957	30.20672815356597	1.054803461579735	9.540715442439359	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.817028720001148	13.85262954957766	0.4178146421906897	9.328750101517318	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.817706758691668	1.238255253794013	0.08755311024650468	5.395793330465789	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.816715581917656	6.744300130420299	0.2564270140707642	10.03436786396162	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.817218967161764	5.996648757192804	0.2451227147931755	7.816209813470089	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.818650348505831	12.79676206665156	0.3900410717518791	9.711069177292055	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.817353961157185	11.88805496900186	0.4091397217279936	11.08551595078986	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.145468048988318	1.48351788624908	0.0822542205040512	5.856517616675234	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.153476899508025	1.772381905002998	0.1041835177458291	5.633139931184521	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.143817134153474	1.765705885410852	0.1032277993373779	6.525854863940484	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.1612130962168	1.721466001756131	0.06455785099849173	10.17339885580571	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.1518606255968	0.3700538954323866	0.03136566578044842	4.501165116548989	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.140967904513076	2.18433629760881	0.1282673239202436	6.497077609710631	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.148158653706277	0.2965697251177748	0.03289835918584615	3.439276920909951	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.157552645614832	0.4531672181919748	0.0372859126649425	4.636934652382514	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.17134282443992	3.321602966914788	0.1612482409352883	7.46818137365987	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.145832840125863	2.224087196605944	0.0728060971470262	11.65467192407657	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.141338173756793	0.5757624407553777	0.04112443462370326	5.341452180979591	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_2	8.159212449742084	3.560827877389022	0.1212194575254662	11.2071763623538	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0001703395190791166	36.52744932599367	1.241198535868239	8.679998418745997	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-0.0003645285291707625	34.32068504052266	1.233412402986721	8.526127965901422	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-7.2661977841962e-05	31.48799999678365	1.113299886357304	8.345391249518782	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	-0.0002067207872162183	34.74846877012883	1.109995313938432	9.355931132652866	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	1.038834624229576e-05	31.63540830764603	1.199456440080418	7.974561895793403	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-8.408244527191024e-05	26.11223151452656	1.077028302162859	7.450777281552952	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0004567224055085535	32.16140278052097	1.204112024288413	8.193804926920558	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-4.182642000457409e-05	37.61023816706161	1.286962271107746	8.753553981099895	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-0.0001708445654494846	34.02300013524556	0.887005118749956	10.83180038896024	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	4.397419833169056e-05	31.67508107567576	1.129556202131145	8.270874754874788	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	6.552370087656787e-05	38.1545758836897	1.217607372400172	8.982095379165413	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-2.057282354775252e-05	27.34984981836482	1.039345441396493	8.019671419347459	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	-0.0004984872359416918	38.29248892139609	1.282323791586629	8.718124633412533	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-6.719744237791155e-05	35.94358989076349	1.281567774326639	8.15237114053959	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	9.506472747434241e-05	29.63208221907423	1.139658619048901	7.764535046945371	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.172925055547484	2.815872126717093	0.1167475567400144	7.070210511935352	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.17823013961378	0.2762310943939901	0.04170807667545951	2.52677626265937	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.148957510159272	19.85243461938239	0.4447609977150747	13.7356511412412	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.150950735521592	47.11705865904743	0.7111480934999629	21.08585501318868	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.149607218742117	28.31312009801377	0.3195392080331401	25.39855582243468	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.505351140529218	2.226478443546848	0.08943037637969328	6.983499899192743	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.514958849366804	8.70501479744592	0.2120375819841037	13.23879907196168	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.49382243363426	0.4200235865776386	0.03171613188969912	4.274468151590187	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.498097646985988	0.6924367976181119	0.04625390034899535	4.380992112933381	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.505603416094308	0.7871489122372977	0.05487815439572452	5.451454067808307	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.492151058639122	2.254017392314799	0.07184224373432538	9.442807432427644	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.4958975168466	0.6855138431343769	0.03497056534951187	5.578125697038788	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.516399965932135	9.583283495910532	0.2041361022200958	14.11729280060208	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.517993416730944	43.45250486150717	0.6286444828395055	22.28956682875532	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.51645268003735	15.11650973576745	0.403025534828891	12.09513959978782	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.512563787580696	8.268688428996528	0.1919975138462725	12.14624048308114	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.514228886450082	9.735951734150381	0.2439724392111721	11.28488668473308	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.513999733211162	5.863360126627795	0.1944865065739964	8.480455807002178	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.511438130432914	25.80349198750828	0.3332250994240744	24.45527161434544	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.516470377376662	11.29953502500641	0.2396943520539607	15.60078163929031	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.51527822259895	1.959200974420181	0.07098405305277879	8.374959366301466	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.544509577112108	20.09817068396911	0.2514193170222503	23.54352455232197	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.512209484042105	1.003951705063459	0.05327061123594852	5.753162812116352	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.519117842890246	3.120827387883824	0.1320741935655491	6.694152648488167	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.515512732229258	1.340236121048606	0.07746243780203756	5.473540590764389	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.517448871677111	6.742363155754525	0.2522367404733065	8.380195994282037	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.516768310500429	7.466589826988311	0.2398104322889303	8.836842446393316	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.53053478706779	6.199802403088242	0.2525158523340859	7.3590703714752	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.543503211135257	21.8953244185088	0.5831643272481773	10.84094231524798	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.542510540521825	19.80360790775084	0.4295974461692816	13.83848388542587	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.540252733411787	6.953970961065626	0.1967749740287252	10.22794390574199	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.537603231454535	14.68617731475332	0.2200750718519932	19.35874976242896	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.537656715630125	6.424757180364415	0.2259294771001386	8.115509699838979	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.538673594992631	0.8780809839909601	0.06121495891048846	5.472575603730883	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.539653784494952	6.899805056235	0.2356225693669188	9.235025877697868	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.544618685363216	1.990195218258838	0.1371635414211602	4.840057612792818	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.539312839615974	1.934789458674262	0.1031851850643471	5.628566695938544	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.539389934302845	6.653957201842818	0.18040926662156	10.62245001636799	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.538125343829394	1.543088409546221	0.06260307715793863	8.057395895973812	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.542324979590365	21.6651751446148	0.4090593461317623	17.07921102752417	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.541012049327885	6.238935461366937	0.2110178191328985	8.479226515370174	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.540695268540893	5.031961585298419	0.2372411130323246	6.579746646369351	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.57414105213789	9.154435652625729	0.1933014373292169	14.94127652378036	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.553826268274228	1.386641042334058	0.07564696776559453	5.631146485650388	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.56793411982756	0.5322699943018225	0.0490233099225735	4.1423347998985	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.559537796769225	0.1213805679087739	0.0186603856156369	2.48167819248762	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.553071677072876	3.564223941729705	0.1287202578322597	7.764289065304261	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.557035122787314	4.390913181830729	0.1468888398959791	11.04235023038262	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.55591466857374	1.055010988440491	0.0719297620166618	5.595819351961845	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.573440042457006	1.553195543729836	0.06905840659555446	6.850328010009416	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.569786415551429	0.2599764695617414	0.02674782135470134	3.708188561430513	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.565625982615853	1.572460290838952	0.06612802952946069	9.072135695222045	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.57566674161482	1.855467798001589	0.07168962942105402	8.006942378014905	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.566330368726507	0.186919138812052	0.02255776778592756	3.161349821157227	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.555676091821483	5.293823353015375	0.1707152252992802	10.30176043554124	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.578354684562759	0.501507877526571	0.04485297410410762	4.265822458313395	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.57032413279444	2.550364558951701	0.08162095975208648	9.589012773907763	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_5	2.597564998950672	0.2960130725225653	0.03222529801218576	3.504543425443155	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_5	2.599873992808184	0.9700010989980121	0.05335803912562812	5.392516161651033	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_1	2.151870807617744	21.16799091512319	0.411515320248847	15.25128658213032	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.144958787207793	21.9051050978671	0.3858694918410626	17.43573529398271	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.134750699591446	7.898937726477937	0.2237170759807715	9.903686595555923	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_1	2.137148490060748	1.957618541510205	0.138541382027545	4.417064093116448	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.133397895901866	17.50263988035683	0.3923678894542859	13.5692060620034	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.12903033068928	157.54852439563	1.502327546989227	33.41057683250936	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_1	2.14768314063201	17.22567987407895	0.28	17.8220292775013	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.137309892846459	1.755707958496799	0.1474810540720009	3.595487946171021	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.13387904671469	332.8694068048931	3.57148084554354	34.28412043860818	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.134338245390688	152.768463380191	1.487331842377812	36.49411519085109	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.13544256291646	1.188697237561858	0.04	8.762510655652981	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.148096232971998	31.42793405962049	0.494045767775307	18.11603021061016	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_1	2.132100219160981	81.42523934463708	0.808841736902338	35.50509362502316	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.129518011787622	115.1293328099958	1.106220974797631	31.04185566862384	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.130355963277824	140.482037020143	1.166851409956829	35.73398064349873	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_2	2.147695493818314	3.478869258689099	0.1685742274877338	7.873384450545785	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_2	2.15040428407711	13.68613790834588	0.4232691858980349	10.94378246427092	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.4321726304649	4.256849582427514	0.1737918175597326	7.419429845995305	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.447566662729423	19.09837633504354	0.3170696535225938	16.93117279380295	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.431908118746202	3.032801005850636	0.1830275058607817	6.321852671813037	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.447822722731144	0.1820771436644673	0.02191556279640692	3.129631839319477	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.430392865728082	14.02186601822934	0.3244762756359851	13.12360907404902	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.446149334172341	8.24014069975887	0.2131210396279974	11.33278113821488	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.433971299588577	1.351599167163134	0.09920165788656907	5.198101310736814	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.433864539753875	18.67387650347282	0.446926414988467	12.81541644554972	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.421139167769953	1.832053834306536	0.1139953923927571	6.131498287607045	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.44391776288337	6.023362948472956	0.1538229213430393	12.52185284200649	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.431326838632314	6.365181057571621	0.2061542610836387	8.767557968439043	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.430183344166378	5.860393543780961	0.1761966119655738	10.76318990364987	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.412144780419811	13.76505010890334	0.3012909121890902	13.65279061525824	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.433087709093819	13.40056124486549	0.3720659143772855	10.79208453979274	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.446946726875385	2.545525628945215	0.1433498539920345	5.658440213804242	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.44753420740452	5.279120217614047	0.1889547585098657	8.11471394015811	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.44874528328213	10.8355133174873	0.2955307175045599	11.82330198325843	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.467751583150315	4.986461650317508	0.1149589017392715	12.55982520028918	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.449026759573414	4.341597921043982	0.1307304615830611	12.39029677100343	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.450757376496763	20.12419840822496	0.4637685098466534	13.99294909334822	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.433802418026736	7.143603907081401	0.2539988091696473	8.075865318504352	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.446482333609446	4.369383432311664	0.2012401438245166	7.001602623544429	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.445200885111177	1.89616916111592	0.09803266282504863	5.88164365564363	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.432077960586166	2.52770048797625	0.1535700406546827	5.926504358538269	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.44659744444639	3.618049576512038	0.1983731002712627	5.899851453253168	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_3	2.46219551796387	1.307922179669706	0.07010360884235363	7.117983466902865	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.44700710106548	5.005111711642341	0.2486508082185376	6.741516251931385	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.463351723472159	1.864684512946393	0.07276128325759319	8.168417692682217	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.453078398707286	12.06117604537921	0.1953987266684137	19.61794883975744	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_3	2.46171149023639	11.44731056605389	0.2422952782412681	13.2226143785725	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_4	2.464552816107565	20.72197384639833	0.2275841139320182	26.7636235942998	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.030851203654234	8.857696112425476	0.209589371805585	12.56831595243246	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.037508713792979	17.7712952464435	0.3856119816106301	16.94268106163937	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.046259320288729	2.344382905186013	0.04839013290656813	14.43932619660865	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.030025225092851	12.04774074018927	0.2727289726591782	14.24512468135392	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.02730502318701	4.102983429688574	0.1735554189740138	8.93507933233481	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.049589425627631	53.15021705750867	0.767690121048102	25.91800780982656	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.021974942688626	1.917684420559786	0.1304132652287949	5.610087859917363	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.012395661173065	2.7091511725413	0.06718473125201711	15.3842737694824	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.054201585352814	181.51634560348	2.09251426803433	26.51734741323583	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.050457558141666	69.41295442398153	0.7246014103077788	27.7243538651288	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.01998352990387	0.7555995727753084	0.05319349889255701	5.419385526086139	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.032202902124347	4.768486405250959	0.2829071173280919	6.430638622388886	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.026156696548957	7.635435319704936	0.1667755891891161	16.83448304593694	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.054443321298861	56.64885026586802	0.6031828595432465	28.171503506382	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.040012456613503	45.48967395631462	0.6697672010856434	22.2894933553156	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.053027289707702	10.05138701331577	0.2582358399156234	12.73903862060734	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.054799792451594	0.2331392948280419	0.03315833790674945	2.682497459861704	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.067179479293993	3.484898358909829	0.1441060848570234	7.652321947844001	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.044266571818588	3.426652689316178	0.160082912906407	6.056014572721499	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.043615156143403	5.258305507373461	0.2418693472162816	7.593514879503833	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.030918226095879	2.539219610592107	0.1608902750236633	5.89339636998462	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.051569327401746	45.5980621052338	0.5879510664495678	22.2754256914916	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.031719058725246	0.4112399367712178	0.04973422195056935	3.154680005372123	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.042348031997728	2.35833346112084	0.240132928925133	3.215125248573237	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.042684076169087	4.234120743581087	0.1736420573226303	7.075738281299517	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.054032322867892	7.892014632895955	0.4	6.55353144480011	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.069726835820248	7.881122440910317	0.2411072369687734	10.15801487442175	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.061963794606446	16.10412366650401	0.3906329614684025	14.54781645192972	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.057107032289267	30.10490646893318	0.4266723034625787	20.59743323152085	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.05463994585142	4.821227494251629	0.2361764099280296	6.266824227944346	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.045327780582854	2.683276051109536	0.211394464797139	4.597466080659061	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.06897750903469	5.795982057067723	0.2273008634820455	8.222764372359384	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.043052165865131	1.508957568721364	0.08832927343697583	6.085157303824531	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.057449487332421	21.90080149618848	0.4794875566071901	15.26463146534057	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.059808213657624	17.59131190960354	0.411525602074031	16.30861310790473	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.067845649280557	4.631055036696582	0.3	5.889451773697773	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.066381356559429	5.888574551975836	0.2615844719353662	7.764027133476437	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.055503327305068	5.839057885147923	0.2756348008436979	7.167068961922975	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.06885432375674	11.77330257589049	0.1996684939886988	18.04934322365425	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_5	2.070450053087939	6.889996282917691	0.2510746232143117	9.517874431877077	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.122095251219891	37.35608789831367	0.5539318156943414	25.7288367917122	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.125595618202083	100.0490094826573	0.8805566414258559	31.95286978499127	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.112144971603104	8.358813072400283	0.1974652730077893	13.45154425833729	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.124152223727188	63.95104162605271	0.7468341987461885	26.61891215336433	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.090306588694744	6.34724285714441	0.2481479947067313	9.264674519172404	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.12903033068928	157.54852439563	1.502327546989227	33.41057683250936	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.132722650030773	80.47353911217482	0.7	32.69503810057909	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.119590859929612	67.48058286496455	0.8424105458294266	23.71861679799238	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.13387904671469	332.8694068048931	3.57148084554354	34.28412043860818	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.134338245390688	152.768463380191	1.487331842377812	36.49411519085109	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.121012326889728	27.98277758426448	0.3096151584228568	25.96134560451076	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.124302593671366	58.36225146854037	0.7370183597482028	22.89841237274521	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.132100219160981	81.42523934463708	0.808841736902338	35.50509362502316	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.129518011787622	115.1293328099958	1.106220974797631	31.04185566862384	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.11616098638455	8.08199843897748	0.22	10.97914053164211	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.1112951790224	13.63347232265605	0.418070510649587	12.44154229046505	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.338097525884669	34.64833228509345	0.486374280039109	23.63379579347183	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.336676532215532	50.1362372964366	0.7646927887904157	19.14778592546863	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.330531489920455	3.255301569823603	0.1185141802109861	10.47937133545283	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.333039636737765	37.58878647427614	0.5200761099833701	24.94859753513303	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.324588270216807	21.31062691079802	0.3349865802216003	18.18404185813596	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.336193902360916	98.03941699316258	1.233371702819241	25.19914351765132	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.338880404877655	27.41415509985531	0.4389230703931823	18.22859849809161	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.337084085322551	51.99462661847775	0.6528591540274891	24.17429142573211	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.338717684106491	179.4028694519298	2.337989717937414	23.61269355076229	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.339601163084992	48.67193873992471	0.7719825149659831	20.42847208924998	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.327947508083625	6.085714772672445	0.2177821472650971	9.583261061561902	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.339054461609243	55.57027823110184	0.7265503364468139	23.77161604417466	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.340209907253578	44.66272889345428	0.5852936351173638	21.30062771649499	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.334214803267565	63.87190928657409	0.9349348330098624	19.06994788579766	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.333852565343423	87.3479365171702	1.13926825547011	24.49460126061091	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_2	2.343358408416814	2.361203070239339	0.1130824737963821	6.152916697907381	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_2	2.341590314431918	7.594275241996926	0.2342161449136629	9.786394783983486	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_3	2.355463226168038	3.255356626750288	0.1196390566376477	8.514002807203669	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.54513888244093	16.84215134410485	0.6203514766340829	7.671812749040954	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.544969462861019	27.95029128355089	0.9636021616102527	8.283534824789541	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.544208878079734	9.494593727006196	0.2622829784115681	11.67342236747501	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.546119052907934	15.03981545575192	0.5082595488274011	8.374008530077278	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.544475520106734	28.54852322372997	0.6322671757424673	13.23470260198177	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.545242955341867	23.06987835294598	0.8943164380478087	7.608440432759209	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.545655111056492	29.77696882521393	1.008204865605788	8.448970170015022	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.545517749862946	18.32415536378117	0.5884936045252657	8.504500182629954	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.547667671716541	47.14083499247315	1.685882193651216	8.07756290738364	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.546067382247173	32.76585133619122	1.191888147230204	7.855138236338596	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.545410754940595	12.51482633222404	0.4599357841853681	7.882404052414801	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.546122449478169	14.67394029157074	0.5341446416060399	8.102693763279525	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.544208984535097	14.78054833545986	0.5219649462451829	8.041537162594793	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.544534275315131	22.34955430988849	0.827404673762641	7.782661501050199	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.545119052907934	24.47972537222777	0.9042588523327038	7.803007715649144	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.409172623178693	1.335960357950937	0.04958291427158132	10.27959607918726	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.41232673516723	6.234538983196813	0.15439722885123	12.11970291188846	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.402419078083803	0.3103698293823754	0.0351993788054824	3.364030916093533	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.415131128649978	3.976383085764673	0.1112120288069772	13.64114338920918	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.407314031354876	5.841859399515223	0.1683965712022708	13.23535152905999	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.412849385820469	33.08181550270535	0.4547839342117495	20.85325809269449	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.415377106272691	0.6592866602010409	0.05962543224156152	4.218515600322708	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.416115236613884	12.69754096561619	0.2757146043527718	17.57015086684087	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.419825754918972	34.40492710107146	0.6676093584354763	14.63956422355184	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.418323254551026	17.21738621422023	0.273842019190207	19.58308468373439	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.415880743334145	1.109390408890076	0.08249538801324008	5.13061976052614	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.420407970521767	7.965997687633291	0.1521492539063887	14.93568196627351	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.408992669334484	2.921653775069233	0.1121953977040008	9.935031701376356	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.410338255788952	8.018282155449784	0.2268127598713926	12.69384148355725	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.413734181758121	5.642723608202744	0.1814301080998388	10.02931655155559	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_2	5.414280888000238	0.4716856679952891	0.034629732607441	4.461744925368192	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.093070516253682	60.96351433054401	0.8199694108857857	21.84305319233381	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.09068308075663	57.30736173222908	0.9098848827283967	20.31027883997671	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.097023367157002	7.146858889871684	0.3136736404864792	6.998454087511509	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.09503715920096	15.03877043636968	0.4957644475977782	9.78202730658336	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.082341319982884	21.02197595303462	0.2055105627321405	30.61904660984449	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.090882092541373	40.00348155156236	1	12.9	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.092835447167339	47.02630373575384	0.8699817505156329	17.43101281355959	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.093100817871202	38.8926678561095	0.7579652175527025	15.80215129869626	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.096663642963806	78.2008667761459	2.364695914726709	8.990285902973655	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.093061491733231	53.09593361024601	1.1	15.56540755959811	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.095043272624925	16.97766355059344	0.436926791174843	11.2656809979493	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.080564927548378	24.76428188879026	0.6318199404200969	12.63933808515184	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.091600682684209	15.94279280473895	0.6347040992721357	8.1	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.094255140095929	69.7939098223973	1.183637091699629	18.92454147902607	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.077511332387433	62.58227304466717	0.6146252797301609	32.14956669171832	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.109249777894112	10.63477639132573	0.3965747453914962	10.23099266791557	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.107888701151643	26.35266965605965	0.7502603469700021	9.93458941931061	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.106779189734425	11.6056171071048	0.3352100677604023	11.16459836842452	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.109461446971264	19.73013618573467	0.4507987725061398	12.6997843935588	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.094734409466771	-4.172922453870706	-0.1187233706842315	13.40976564500225	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.109236394941205	43.71343019657986	1.059015474712268	12.01746840745212	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.107279354723742	21.80868304489859	0.6749485497083103	9.198798108477874	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.110925869635679	33.73424907706095	0.7421154090279906	13.91675535691734	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.109988081195805	76.86439899546977	2.224936348211269	9.303705108018692	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.109162309163253	41.19985433216476	1	12.86090650113891	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.107552761600932	12.47574977410014	0.4682652544704439	7.753230066217113	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.095676288055865	10.61895710931564	0.5423605103380948	5.679898945880779	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.105919015710543	8.947042357487284	0.4559566643788999	5.610554368381512	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.10885892354506	13.93796265142454	0.5654822315373685	9.403630885533317	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.103392959743927	49.68364490293543	0.9342561556475474	20.28905330042265	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.099732820562425	32.04559423466767	0.5482313540013234	16.7041407144367	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.109671319899748	35.96843021973991	0.763804964952875	14.41409240243696	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.12068238776785	9.154507504470294	0.3216826018256456	8.10960824560384	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312582689441741	254.5390625087136	7.968627119947808	9.587153402721354	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312210615554505	288.5736816561702	8.757180815737254	9.766576093890258	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.311014740137288	76.62366603332768	2.487444855818366	8.616715901560005	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.313239929740557	183.3203170481378	4.788648838978829	10.96177375180054	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.311813488311143	140.3080488125079	4.612328879654701	9.27852013820813	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312227964584579	327.8038581135633	11.68866122949384	8.773297923689107	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.312735906394261	225.6698789976948	7.592244247984485	9.29309347855524	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312672381715762	182.0863495041909	6.690970443602146	8.671008416694335	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.314107595416698	802.6218196665778	27.80504932462306	8.860971741071282	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.31314191477956	311.3013331454852	10.19668096432319	9.402376766342776	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312397293137699	136.1319649545128	4.509961383692279	9.566340755762473	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312454742462593	214.0723140691891	6.861042555972664	9.441325865021655	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.311569212638777	152.4207025188956	5.567351071569941	8.68085792002014	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.311821881935356	311.2566969530333	9.800243965318069	9.567703797900641	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312316591642325	332.2554712452022	10.13716262246058	9.73990108248042	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.324411334772341	158.1626041892832	5.95823245615149	8.107138655060256	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324112566480781	157.6893344615985	6.280083091256005	8.074680080254215	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.322829467791454	42.21911815001699	1.844274705899945	8.733706746906293	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.325096672143925	76.82761325148664	2.925039934881124	8.208608705416326	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.323648196462102	90.79015308746087	3.394655499318223	8.211069650059379	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324015875239505	277.4774274046229	10.16342877918581	8.419341677809344	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.324458258375382	176.3283082096515	6.241825215603344	8.516140322337316	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324507539401878	165.5694647886469	6.057436047104955	8.72546275404498	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.325895434267876	647.3749491408352	23.99105479599673	8.343790249593189	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.325035179408842	197.447747196899	7.838661019590812	7.860531168329699	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324237358618384	92.19076230064081	3.498334391646673	8.088232439623551	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324114238125473	170.7339506355534	5.979512714812308	8.894374267197986	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.323304518678932	140.2685412898631	5.053473652809226	8.678150063365802	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.323719494141349	177.0871206894408	7.012068871654504	7.858770138358671	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324191604424337	196.6201781569255	7.368751193389586	8.283658862026128	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.03004632586385	1.502014817851093	0.05975619087713095	8.105563854359373	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.018422145778445	0.7647655965205701	0.03616920749605282	7.035615528156463	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.014882053145834	1.870010553935515	0.07250379531658686	7.476160266798648	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.007421167390429	0.4284003832292242	0.03171351592498785	4.772093489490298	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.005635092468235	0.6300552496800057	0.03301454784761191	6.202909017893597	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.022150930771248	3.355168150003294	0.1233232494481401	7.998659394594517	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.023732765888155	0.7774911487144324	0.03635406591638064	6.896589606989781	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.012650358877146	6.374509227780504	0.16	15.2	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.014608396260506	0.9782527566290548	0.04100017673286088	9.102897452965397	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.031338147837081	2.820722084252627	0.09409800600842994	8.707781337155904	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.039925027015144	1.831055114420716	0.06220073484866549	8.804543223263693	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.024163061879775	0.3229702544517254	0.02785407527382671	4.017868173454288	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.010388574151263	1.701712125804509	0.08255597955466042	6.647058161118218	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.009944774614688	3.564061088618107	0.1261453632369503	9.831539722855887	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_2	6.033859199732687	0.2574649678664002	0.03443647415464973	2.852429782464778	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_2	6.015921095248751	0.1641360992447716	0.02423846743934584	2.583535909841723	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.026783002101622	1.070276789689862	0.06504392507575832	6.27777750093354	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.045564703677341	1.307147533332329	0.07147048210423217	5.570997152455538	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.069640756538015	3.575259989350523	0.141960869508141	7.574109745994616	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.083300730626457	0.7215583378590743	0.05391790407970483	5.105675502264473	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.071707032559947	1.539445456459842	0.05521133508160984	8.436395854228174	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.02361896294985	0.6077751473051438	0.0456617186339706	5.078187029877803	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.067046676261879	0.5424205241434561	0.03224110997633135	5.630324323539578	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.064925710069454	0.6745039990669326	0.04766499197900032	5.39883591801854	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.068441742144855	5.288249137109227	0.1111668834976317	13.69185931104275	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.067999788869087	9.17685352844336	0.1927507016438749	14.25055380215922	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.070977254590787	7.711547806023736	0.2068250156083079	11.14007661173024	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.074647935576611	2.428408052603836	0.07159916281065667	10.93718706632028	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.066575785835373	0.29543797908882	0.03036008718650711	3.712606535647005	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.083450590101127	0.1000532182115873	0.01530386646065287	2.494274639197876	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.062109641780551	3.102614481624151	0.1147629451967833	7.760313891420419	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.068906398589231	10.93586791638191	0.2368381170227908	13.88405119799013	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_2	6.08519945032759	3.193581633844515	0.1504755844056107	6.194944034118487	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_2	6.08189771872913	0.9256175225541692	0.05391086883925834	5.337851666912599	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.078774530852024	0.4692541867110285	0.03130307435435193	5.719201627741561	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_2	6.08124791364694	0.6412071997989288	0.04139165131848412	5.045584796673975	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.091879805788636	6.154987649858422	0.1357804286347266	12.70181786197088	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.092480908341421	1.103010594677247	0.05245595043014084	6.331854563506566	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_2	6.096583247375246	0.05389015815972539	0.008961153726405088	2.199718172839555	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.907912711384736	2.530708678484963	0.1001739857738933	8.146651165668482	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.941002064588144	4.801856375160281	0.1401833337541445	13.06854750925405	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.939458661260838	2.632072030077223	0.1390351069684215	7.222502054555241	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_1	8.932982850225347	0.1193312174579147	0.02032987045904768	2.239421999148797	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.936808789216125	2.203691738031255	0.1160924572069794	7.242095558805243	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.91817206861132	1.626664486195061	0.06691423604356846	7.839193440694211	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_1	8.921803632116406	0.004308868146732792	0.0018940746533234	0.8679267829257055	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.915411553755414	2.793524695191069	0.08755024798910808	12.17339545501328	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.930380190603238	1.7149216808255	0.06659488911798446	8.304152401384808	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.933122370766878	3.229310276443751	0.09155521106712877	11.3741414948853	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.931219632040436	0.4160136229806028	0.02326589610379495	6.821851645793966	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.926006008346633	0.1715872527466766	0.01773231637970504	3.120408625106231	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-2_1	8.939194476422243	0.6068155716329817	0.03557143060777782	6.50833935400471	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-2_1	8.92036356091747	1.556422922562517	0.06101945226444146	9.731362833559604	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-2_1	8.925696075191361	2.256757783600128	0.07087554591899768	10.26787214226967	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_1	8.69856235621899	0.7560983894906564	0.04748522588868434	6.074847932016989	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.68375228429467	2.267206978187519	0.12209966341246	7.084218793663617	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_1	8.699101185831726	0.06602001752666174	0.01343004763165789	1.875491247621726	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_1	8.695572258244225	0.2792859532414051	0.02251221611669394	4.733136773303643	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.705424757471084	3.653847115565133	0.1395821881698765	8.285562866274509	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_1	8.701869838038146	0.6741933483141022	0.04784983586529316	5.375518115238472	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Nicotin-6_1	8.706181274958594	1.467362766466175	0.0635737530947341	7.443060757748878	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.70258749574382	1.145717020847512	0.06203222321987741	5.955962281494376	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.699790550017573	0.2067887746143828	0.02203974509354865	3.579625608381132	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Nicotin-6_1	8.692960193735654	4.078421684699764	0.1582336225705371	8.311612289284353	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Nicotin-6_1	8.689147469822446	3.23589666421247	0.107081013802398	9.669076567413128	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
P-Cho A_1	3.221990546357455	45.61531566889474	0.8577452955696072	14.56913033921601	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
P-Cho A_1	3.222208468343679	36.39053022472542	0.7336772595395582	13.52195173056442	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
P-Cho A_1	3.223721606327026	35.10580961849696	0.7637960031834454	12.8656484617945	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
P-Cho A_1	3.219822394547053	28.36567479669742	0.4839211958787036	15.51512592562537	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
P-Cho A_1	3.222452666296597	42.13901728591073	0.9008063873288015	12.97672217691168	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
P-Cho A_1	3.222368311774268	42.68003188308179	0.7465937037443028	15.36743885095387	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
P-Cho A_1	3.223921239333198	48.30810318875795	0.8504459589554586	15.36743885095387	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
P-Cho A_1	3.225888093983463	167.3988366322989	2.103737896983476	20.84737377995093	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
P-Cho A_1	3.223452666296597	99.37828991372612	1.674396897061836	16.59488953708113	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
P-Cho A_1	3.220962704108975	20.49541209685918	0.4455416384632144	12.84071792363935	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
P-Cho A_1	3.22291546865597	21.32083127687848	0.5172664219678241	11.50564034827309	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
P-Cho A_1	3.220460526902235	22.72983216745647	0.4898941595833458	12.77293618780581	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
P-Cho A_1	3.221537968449437	26.03805221386025	0.4535711780233997	14.13125283785559	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
P-Cho A_1	3.221990546357455	31.14092479783751	0.7468536939977316	11.57547342019902	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.39674856509846	7.242257781456705	0.242382757705274	9.045697609816214	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.395322707516147	5.566762496696383	0.2188066594240019	9.706362505807515	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.404862476584337	1.476281069126111	0.05624276769546728	10.01426346494867	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.395518002877747	0.1509305417335084	0.02302141533164733	2.501275272646721	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.39520851305795	16.50984397934536	0.3463785611185507	14.13118315882322	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.395011391903013	1.064410028398347	0.09241495353621408	4.394235463937862	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396342984259251	9.446980695052666	0.242173028671183	12.72711376514931	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.397315806164673	26.86466340757755	0.7791307132980329	10.40059381994675	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.397224429456212	19.6151002013038	0.4147472724177343	14.44027914055662	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.394054334600463	1.987015387832918	0.1224411619747336	6.191395396030889	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.395896378033963	7.054633158359006	0.2108715568704319	10.89758816230125	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.398147307419248	2.062376312826296	0.1282122719634318	6.136991018658407	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.392683852502206	5.992591561941332	0.2700586585293218	8.465875769653136	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.392156816941921	5.258165139556104	0.1860564648183904	10.7821668400967	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.993945907186706	10.52272682921159	0.2318628452695195	14.40245881675552	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.990338490010773	0.6249905376736028	0.05503949385761671	4.332258589422416	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.978062078197466	2.30525238914674	0.0915106829577967	8.123414323139487	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.984780167971999	3.210842212049619	0.1506912124996748	6.871047592447673	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.989381141515755	2.881267425414594	0.08090055622193525	11.48481441806332	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.985519056373427	6.490758071731675	0.1880828277907935	11.1620919617901	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.975971160589371	2.886097582130728	0.1316309783632515	8.365046722859539	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.987882860198544	8.20244906756356	0.1843254090266536	16.97745081013548	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.986719750672036	74.92268220342831	0.6500470250755055	28.37175262368059	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.986440505436606	7.333966006375265	0.2189194252789029	10.80305316642836	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.990052166890743	2.452664336628265	0.1007040884563977	7.853855988979703	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.98605781709757	1.980488289857661	0.07734947156889169	8.256706517044957	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.981877949653263	4.43713019363272	0.1446269098779213	11.70490536810669	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.985825440422769	8.13221678170012	0.2303938850267811	13.46643850292693	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.986360388015356	14.08531556233143	0.2861985274699572	13.73789316471848	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.221200726486083	35.97004050164687	1.229203477068371	9.501530023089938	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.220721918231431	39.46969933352005	1.100197625255281	11.04961384542647	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.222729025784426	21.01586037249409	0.6330620773212616	10.17397210069478	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221170623104314	31.36925643105233	0.6975278481917804	13.25822080380186	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.220886296474114	44.67823586421171	1.390426748495795	10.04626855408031	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.221439563134743	19.21719579346997	0.6007265089819296	10.2930715443624	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221036383955824	32.99832428585729	1.065643486351622	9.980912955417002	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.223434368914286	80.09716121012292	2.618878321265716	9.886879726719917	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.222289079981335	59.34580699407837	1.990293730618431	9.932905278387194	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.220815831616533	20.23081557826015	0.6285863565773149	10.11625930671985	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.222329280702142	25.88826637399641	0.8022340712208175	10.31344841921192	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.219708503165172	23.89448436837811	0.5807703418671742	11.81230052665705	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.219708503165172	20.57446582125898	0.5539988082421392	11.00229445372281	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.220218191242145	32.18115578710792	0.8445995373901234	11.33591571775598	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.629269030607724	43.00099903340845	1.163213974672013	11.04038194523064	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.628757189888984	39.27898380948454	1.06612649838644	11.53029738821244	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.623836935170128	8.777120857517069	0.2455235001623276	10.25703926705965	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.619504292613622	20.17618768993954	0.3063250048418453	20.84897808253317	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.628519949899086	13.40332000062982	0.4436353855306547	9.742673020690384	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.628053648350837	31.39116504035078	1.104234307361885	9.167229802965077	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.627858603000219	25.09788564956144	0.6793624061590178	11.91317566588105	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.628174158706553	28.55978332613306	0.928760202762203	9.916153267028701	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.630280987782054	59.24598687248117	1.653311559015377	9.74185078601638	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.629286285230421	58.95756917292915	1.610179370162596	10.07643674660251	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.627800131021202	16.77318438087286	0.5410469514431272	9.997064332264685	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.628588109069263	22.73961406749863	0.6627619580070273	11.06413426807197	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.627525193835648	17.71686456967724	0.5070027246880087	11.09450560336441	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62041344174543	35.31212272131086	0.4310914544490905	31.25138983463892	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.627438609825971	31.64383029199188	0.858182518276035	11.89053247581555	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.642680026369255	14.40519563953441	0.7871591898001511	6.981861845051864	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.642957971734745	11.51638600118586	0.5915119219406711	7.42795163273541	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.642534359055494	5.815230420069276	0.1922523407944112	9.754100175436545	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.641457361982328	8.643052108449647	0.3365525281959866	9.797854444729913	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.641756398521782	15.3201141763206	0.5846737550938924	7.529528281904046	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.642714375181564	42.56357801548323	1.23381845455577	10.13525789045737	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.642569060927301	14.3637801420289	0.5409149704925356	7.46309802859431	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.642818496791255	25.24147265312402	0.9117840681915402	7.854936229842854	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.644477993928703	75.07984610228881	2.170866579960716	9.462630503045558	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643478728568975	53.32507103153385	1.698748929063883	8.979425263597964	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.640552544837752	8.871235856064848	0.3875141349049001	6.799590739834593	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.642542160578634	16.01758221206634	0.5620749774842752	8.562188743137757	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.642575900887438	13.3991349699145	0.4327552134654083	8.931573978115935	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.642520557883882	7.276926135119587	0.3099178661212251	7.436230584258938	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.642854347602202	21.64795941787881	0.7395130004904107	8.308952376534743	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
m-Ins-2?_1	4.064085146847729	8.971314709625695	0.2791133067055979	10.36495617094189	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
m-Ins-2?_1	4.069896200862278	4.886878013682263	0.1673815676327661	9.414901645580551	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
pyruvate-3_1	2.368202560489391	3.023713805595997	0.1225177299252498	7.958544731501638	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
pyruvate-3_1	2.369121585838791	2.796162760424785	0.1239721394487349	7.273279405879563	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
pyruvate-3_1	2.357889141212278	4.876794529188476	0.1157658292104429	11.83805775330879	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
EXTENDED_NMR_METABOLITE_DATA_END
#END