#METABOLOMICS WORKBENCH dmukha_20240809_140143 DATATRACK_ID:5093 STUDY_ID:ST003412 ANALYSIS_ID:AN005605 PROJECT_ID:PR001941
VERSION             	1
CREATED_ON             	August 16, 2024, 3:40 pm
#PROJECT
PR:PROJECT_TITLE                 	The shutdown of NADH oxidation via Respiratory Complex I mimics fatty acid
PR:PROJECT_TITLE                 	biosynthesis inhibition
PR:PROJECT_TYPE                  	LC-MS Quantitative Analysis
PR:PROJECT_SUMMARY               	Proliferating cancer cells actively utilize anabolic processes for biomass
PR:PROJECT_SUMMARY               	production, including de novo biosynthesis of amino acids, nucleotides, and
PR:PROJECT_SUMMARY               	fatty acids. The key enzyme of the fatty acid biosynthesis pathway, fatty acid
PR:PROJECT_SUMMARY               	synthase (FASN), is widely recognized as a promising therapeutic target in
PR:PROJECT_SUMMARY               	cancer and other health conditions. Here, we establish a metabolic signature of
PR:PROJECT_SUMMARY               	FASN inhibition using a panel of pharmacological inhibitors (GSK2194069,
PR:PROJECT_SUMMARY               	TVB-2640, TVB-3166, C75, cerulenin, and Fasnall). We find that the activity of
PR:PROJECT_SUMMARY               	some commonly used FASN inhibitors is inconsistent with the metabolic signature
PR:PROJECT_SUMMARY               	of FASN inhibition (accumulation of malonate, succinate, malonyl coenzyme A,
PR:PROJECT_SUMMARY               	succinyl coenzyme A, and other metabolic perturbations). Moreover, we show that
PR:PROJECT_SUMMARY               	one of these putative FASN inhibitors, Fasnall, is a respiratory Complex I
PR:PROJECT_SUMMARY               	inhibitor that mimics FASN inhibition through NADH accumulation and consequent
PR:PROJECT_SUMMARY               	depletion of the tricarboxylic acid cycle metabolites. We demonstrate that
PR:PROJECT_SUMMARY               	Fasnall impairs tumor growth in several oxidative phosphorylation-dependent
PR:PROJECT_SUMMARY               	cancer models, including combination therapy-resistant melanoma patient-derived
PR:PROJECT_SUMMARY               	xenografts. Fasnall administration does not reproduce neurological side effects
PR:PROJECT_SUMMARY               	in mice reported for other Complex I inhibitors. Our results have significant
PR:PROJECT_SUMMARY               	implications for understanding the FASN role in human health and disease and
PR:PROJECT_SUMMARY               	provide evidence of therapeutic potential for Complex I inhibitors with fast
PR:PROJECT_SUMMARY               	systemic clearance. Our findings also highlight the continuing need for
PR:PROJECT_SUMMARY               	validation of small molecule inhibitors to distinguish high-quality chemical
PR:PROJECT_SUMMARY               	probes and to expand the understanding of their application.
PR:INSTITUTE                     	Wistar Institute
PR:DEPARTMENT                    	Molecular and Cellular Oncogenesis Program, Ellen and Ronald Caplan Cancer
PR:DEPARTMENT                    	Center
PR:LABORATORY                    	Schug's Lab
PR:LAST_NAME                     	Mukha
PR:FIRST_NAME                    	Dzmitry
PR:ADDRESS                       	3601 Spruce St., Philadelphia, Pennsylvania 19104, USA
PR:EMAIL                         	dmukha@wistar.org
PR:PHONE                         	+12154956903
PR:FUNDING_SOURCE                	This work was supported by grants from the National Institutes of Health (NIH)
PR:FUNDING_SOURCE                	National Cancer Institute (NCI) DP2 CA249950-01 (Z.T.S.), NIH NCI P01 CA114046
PR:FUNDING_SOURCE                	(Z.T.S.), Melanoma Research Foundation 717173 (Z.T.S.), and Susan G. Komen
PR:FUNDING_SOURCE                	CCR19608782 (Z.T.S.).
PR:PROJECT_COMMENTS              	Project PR001941
PR:PUBLICATIONS                  	Submission Pending
PR:CONTRIBUTORS                  	Dzmitry Mukha, Jena Dessain, Seamus O’Connor, Katherine Pniewski, Fabrizio
PR:CONTRIBUTORS                  	Bertolazzi, Jeet Patel, Mary Mullins, Zachary T. Schug
#STUDY
ST:STUDY_TITLE                   	Intracellular and medium metabolomics for BT-474 cells treated with cerulenin,
ST:STUDY_TITLE                   	TVB-2640, and TVB-3166 for 24 h
ST:STUDY_TYPE                    	Intracellular metabolomics, medium metabolomics
ST:STUDY_SUMMARY                 	Intracellular and medium metabolomics for BT-474 cells treated with cerulenin,
ST:STUDY_SUMMARY                 	TVB-2640, and TVB-3166 for 24 h
ST:INSTITUTE                     	Wistar Institute
ST:DEPARTMENT                    	Molecular and Cellular Oncogenesis Program, Ellen and Ronald Caplan Cancer
ST:DEPARTMENT                    	Center
ST:LABORATORY                    	Schug's Lab
ST:LAST_NAME                     	Mukha
ST:FIRST_NAME                    	Dzmitry
ST:ADDRESS                       	3601 Spruce St, Philadelphia, PA 19104, USA
ST:EMAIL                         	dmukha@wistar.org
ST:PHONE                         	+12154956903
ST:NUM_GROUPS                    	45
ST:TOTAL_SUBJECTS                	135
ST:PUBLICATIONS                  	Submission Pending
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	60
SU:GENDER                        	Female
SU:CELL_STRAIN_DETAILS           	BT-474, breast cancer cell line
#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           	-	01 Blank	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	02 DMEM/F12 no adds	Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-DMEM_F12 no adds.mzML
SUBJECT_SAMPLE_FACTORS           	-	03 Blank	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	04 BT474 Cerulenin 0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	05 BT474 Cerulenin 0.5 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	06 BT474 Cerulenin 2.0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	07 BT474 Cerulenin 4.0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	08 BT474 bottle med	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med.mzML
SUBJECT_SAMPLE_FACTORS           	-	09 BT474 Cerulenin 6.0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	10 BT474 Cerulenin 20 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	11 BT474 Cerulenin 50 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	12 BT474 Cerulenin 0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	13 BT474 Cerulenin 0.5 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	14 BT474 Cerulenin 2.0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	15 BT474 Cerulenin 4.0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	16 BT474 bottle med	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	17 BT474 Cerulenin 6.0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	18 BT474 Cerulenin 20 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	19 BT474 Cerulenin 50 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	20 BT474 Cerulenin 0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	21 BT474 Cerulenin 0.5 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	22 BT474 Cerulenin 2.0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	23 BT474 Cerulenin 4.0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	24 BT474 bottle med	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	25 BT474 Cerulenin 6.0 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	26 BT474 Cerulenin 20 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	27 BT474 Cerulenin 50 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	28 BT474 Cerulenin 0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	29 BT474 Cerulenin 0.5 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	30 BT474 Cerulenin 2.0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	31 BT474 Cerulenin 4.0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	32 BT474 Cerulenin 6.0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	33 BT474 Cerulenin 20 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	34 BT474 Cerulenin 50 uM cells (dead)	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM cells (dead).mzML
SUBJECT_SAMPLE_FACTORS           	-	35 BT474 Cerulenin 0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	36 BT474 Cerulenin 0.5 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	37 BT474 Cerulenin 2.0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	38 BT474 Cerulenin 4.0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	39 BT474 Cerulenin 6.0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	40 BT474 Cerulenin 20 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	41 BT474 Cerulenin 50 uM cells (dead)	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM cells (dead) (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	42 BT474 Cerulenin 0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	43 BT474 Cerulenin 0.5 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	44 BT474 Cerulenin 2.0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	45 BT474 Cerulenin 4.0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	46 BT474 Cerulenin 6.0 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	47 BT474 Cerulenin 20 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	48 BT474 Cerulenin 50 uM cells (dead)	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM cells (dead) (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	49 Blank	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (4).mzML
SUBJECT_SAMPLE_FACTORS           	-	50 DMEM/F12 no adds	Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-DMEM_F12 no adds (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	51 Blank	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (5).mzML
SUBJECT_SAMPLE_FACTORS           	-	52 BT474 TVB-2640 0 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	53 BT474 TVB-2640 1 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	54 BT474 TVB-2640 20 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	55 BT474 TVB-2640 50 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	56 BT474 bottle med	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (4).mzML
SUBJECT_SAMPLE_FACTORS           	-	57 BT474 TVB-2640 200 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	58 BT474 TVB-2640 500 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	59 BT474 TVB-2640 5 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	60 BT474 TVB-2640 0 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	61 BT474 TVB-2640 1 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	62 BT474 TVB-2640 20 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	63 BT474 TVB-2640 50 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	64 BT474 bottle med	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (5).mzML
SUBJECT_SAMPLE_FACTORS           	-	65 BT474 TVB-2640 200 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	66 BT474 TVB-2640 500 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	67 BT474 TVB-2640 5 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	68 BT474 TVB-2640 0 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	69 BT474 TVB-2640 1 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	70 BT474 TVB-2640 20 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	71 BT474 TVB-2640 50 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	72 BT474 bottle med	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (6).mzML
SUBJECT_SAMPLE_FACTORS           	-	73 BT474 TVB-2640 200 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	74 BT474 TVB-2640 500 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	75 BT474 TVB-2640 5 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	76 BT474 TVB-2640 0 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	77 BT474 TVB-2640 1 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	78 BT474 TVB-2640 20 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	79 BT474 TVB-2640 50 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	80 BT474 TVB-2640 200 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	81 BT474 TVB-2640 500 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	82 BT474 TVB-2640 5 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	83 BT474 TVB-2640 0 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	84 BT474 TVB-2640 1 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	85 BT474 TVB-2640 20 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	86 BT474 TVB-2640 50 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	87 BT474 TVB-2640 200 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	88 BT474 TVB-2640 500 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	89 BT474 TVB-2640 5 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	90 BT474 TVB-2640 0 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	91 BT474 TVB-2640 1 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	92 BT474 TVB-2640 20 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	93 BT474 TVB-2640 50 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	94 BT474 TVB-2640 200 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	95 BT474 TVB-2640 500 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	96 BT474 TVB-2640 5 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	97 Blank	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (6).mzML
SUBJECT_SAMPLE_FACTORS           	-	98 DMEM/F12 no adds	Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-DMEM_F12 no adds (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	99 Blank	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (7).mzML
SUBJECT_SAMPLE_FACTORS           	-	100 BT474 TVB-3166 0 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	101 BT474 TVB-3166 1 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	102 BT474 TVB-3166 20 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	103 BT474 TVB-3166 50 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	104 BT474 bottle med	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (7).mzML
SUBJECT_SAMPLE_FACTORS           	-	105 BT474 TVB-3166 200 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	106 BT474 TVB-3166 500 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	107 BT474 TVB-3166 5 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM med.mzML
SUBJECT_SAMPLE_FACTORS           	-	108 BT474 TVB-3166 0 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	109 BT474 TVB-3166 1 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	110 BT474 TVB-3166 20 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	111 BT474 TVB-3166 50 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	112 BT474 bottle med	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (8).mzML
SUBJECT_SAMPLE_FACTORS           	-	113 BT474 TVB-3166 200 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	114 BT474 TVB-3166 500 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	115 BT474 TVB-3166 5 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM med (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	116 BT474 TVB-3166 0 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	117 BT474 TVB-3166 1 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	118 BT474 TVB-3166 20 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	119 BT474 TVB-3166 50 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	120 BT474 bottle med	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (9).mzML
SUBJECT_SAMPLE_FACTORS           	-	121 BT474 TVB-3166 200 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	122 BT474 TVB-3166 500 nM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	123 BT474 TVB-3166 5 uM med	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM med (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	124 BT474 TVB-3166 0 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	125 BT474 TVB-3166 1 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	126 BT474 TVB-3166 20 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	127 BT474 TVB-3166 50 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	128 BT474 TVB-3166 200 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	129 BT474 TVB-3166 500 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	130 BT474 TVB-3166 5 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM cells.mzML
SUBJECT_SAMPLE_FACTORS           	-	131 BT474 TVB-3166 0 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	132 BT474 TVB-3166 1 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	133 BT474 TVB-3166 20 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	134 BT474 TVB-3166 50 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	135 BT474 TVB-3166 200 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	136 BT474 TVB-3166 500 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	137 BT474 TVB-3166 5 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM cells (2).mzML
SUBJECT_SAMPLE_FACTORS           	-	138 BT474 TVB-3166 0 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	139 BT474 TVB-3166 1 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	140 BT474 TVB-3166 20 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	141 BT474 TVB-3166 50 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	142 BT474 TVB-3166 200 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	143 BT474 TVB-3166 500 nM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	144 BT474 TVB-3166 5 uM cells	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM cells (3).mzML
SUBJECT_SAMPLE_FACTORS           	-	145 Blank	Sample source:NA | Sample Type:Blank | Drug:- | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (8).mzML
SUBJECT_SAMPLE_FACTORS           	-	146 DMEM/F12 no adds	Sample source:NA | Sample Type:QC | Drug:- | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-DMEM_F12 no adds (4).mzML
SUBJECT_SAMPLE_FACTORS           	-	147 Blank	Sample source:NA | Sample Type:Blank | Drug:- | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (9).mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	For medium metabolites, 100 µl of medium was mixed with 400 µl of 100%
CO:COLLECTION_SUMMARY            	methanol (80% final). For intracellular metabolite samples, the medium was
CO:COLLECTION_SUMMARY            	aspirated, and cells were washed with PBS volume matching the volume of the
CO:COLLECTION_SUMMARY            	medium. Metabolites were extracted with ice-cold 80% methanol. The volume of the
CO:COLLECTION_SUMMARY            	solvent was 500 µl per 6-cm Petri dish (scaled according to the ratio of
CO:COLLECTION_SUMMARY            	surface areas for other cell containers). After adding the methanol solution,
CO:COLLECTION_SUMMARY            	cells were scraped from the plates, and all the content was transferred to
CO:COLLECTION_SUMMARY            	Eppendorf tubes.
CO:COLLECTION_PROTOCOL_FILENAME  	DM_metabolomics_samples.txt
CO:SAMPLE_TYPE                   	Breast cancer cells
CO:COLLECTION_METHOD             	80% methanol extraction
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	1.5 ml plastic centrifuge tubes
CO:STORAGE_VIALS                 	1.5 ml plastic centrifuge tubes
#TREATMENT
TR:TREATMENT_SUMMARY             	Cells were grown in RPMI-1640 supplemented with 10% dialyzed FBS and treated
TR:TREATMENT_SUMMARY             	with various drug concentrations - cerulenin, TVB-2640, and TVB-3166 for 24 h.
TR:TREATMENT_DOSEDURATION        	24 h
TR:TREATMENT_VEHICLE             	DMSO
TR:CELL_GROWTH_CONTAINER         	6-cm Petri dishes
TR:CELL_MEDIA                    	RPMI-1640
TR:CELL_ENVIR_COND               	37C, 5% CO2
TR:CELL_PCT_CONFLUENCE           	~70%
TR:CELL_MEDIA_LASTCHANGED        	24 h before collection
TR:TREATMENT_COMPOUND            	Cerulenin, TVB-2640 (Denifanstat), and TVB-3166
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Intracellular metabolites were extracted with ice-cold 80% methanol, and medium
SP:SAMPLEPREP_SUMMARY            	samples were extracted with 100% methanol. The samples were centrifuged at
SP:SAMPLEPREP_SUMMARY            	18,000 g 4C for 20 min. After transferring the supernatant to new tubes,
SP:SAMPLEPREP_SUMMARY            	centrifugation was repeated with the same parameters.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	DM_metabolomics_samples.txt
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACTION_METHOD             	80% methanol
SP:EXTRACT_ENRICHMENT            	None
SP:EXTRACT_CLEANUP               	None
SP:EXTRACT_STORAGE               	-80℃
SP:SAMPLE_RESUSPENSION           	None
SP:SAMPLE_DERIVATIZATION         	None
SP:SAMPLE_SPIKING                	None
SP:SUBCELLULAR_LOCATION          	Intracellular metabolites and medium metabolites
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Shimadzu 20AD
CH:COLUMN_NAME                   	Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um)
CH:SOLVENT_A                     	100% Water; 0.01% ammonium hydroxide; 20 mM ammonium bicarbonate
CH:SOLVENT_B                     	100% Acetonitrile
CH:FLOW_GRADIENT                 	0-12.5 min, 80-30% B; 12.5-15 min, 30% B; 15-15.2 min, 30-80% B; 15.2-22.5 min,
CH:FLOW_GRADIENT                 	80% B
CH:FLOW_RATE                     	0-20 min, 0.2 ml/min; 20-21 min 0.2-0.3 ml/min; 21-22 min, 0.3 ml/min; 22-22.1
CH:FLOW_RATE                     	min, 0.2 ml/min; 22.1-22.5 min, 0.2 ml/min
CH:COLUMN_TEMPERATURE            	40
CH:COLUMN_PRESSURE               	900-3000 psi
CH:INJECTION_TEMPERATURE         	4
CH:SAMPLE_INJECTION              	1-5 ul
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Schug's Lab
AN:OPERATOR_NAME                 	Dzmitry Mukha, Ph.D.
AN:DETECTOR_TYPE                 	High Energy Dynode (HED) and High-Capacity CEM (Continuous Electron Multiplier)
AN:SOFTWARE_VERSION              	SCIEX Analyst 1.7.3
AN:ACQUISITION_DATE              	02/06/2023
AN:DATA_FORMAT                   	.WIFF
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Data were analyzed in SCIEX Multiquant 3.0.3.
MS:CAPILLARY_TEMPERATURE         	500 °C
MS:CAPILLARY_VOLTAGE             	4500
MS:DRY_GAS_FLOW                  	70
MS:DRY_GAS_TEMP                  	500 °C
MS:ION_SOURCE_TEMPERATURE        	500 °C
MS:ION_SPRAY_VOLTAGE             	4500
MS:SOURCE_TEMPERATURE            	500 °C
MS:SPRAY_VOLTAGE                 	4500
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Counts per second (cps)
MS_METABOLITE_DATA_START
Samples	01 Blank	02 DMEM/F12 no adds	03 Blank	04 BT474 Cerulenin 0 uM med	05 BT474 Cerulenin 0.5 uM med	06 BT474 Cerulenin 2.0 uM med	07 BT474 Cerulenin 4.0 uM med	08 BT474 bottle med	09 BT474 Cerulenin 6.0 uM med	10 BT474 Cerulenin 20 uM med	11 BT474 Cerulenin 50 uM med	12 BT474 Cerulenin 0 uM med	13 BT474 Cerulenin 0.5 uM med	14 BT474 Cerulenin 2.0 uM med	15 BT474 Cerulenin 4.0 uM med	16 BT474 bottle med	17 BT474 Cerulenin 6.0 uM med	18 BT474 Cerulenin 20 uM med	19 BT474 Cerulenin 50 uM med	20 BT474 Cerulenin 0 uM med	21 BT474 Cerulenin 0.5 uM med	22 BT474 Cerulenin 2.0 uM med	23 BT474 Cerulenin 4.0 uM med	24 BT474 bottle med	25 BT474 Cerulenin 6.0 uM med	26 BT474 Cerulenin 20 uM med	27 BT474 Cerulenin 50 uM med	28 BT474 Cerulenin 0 uM cells	29 BT474 Cerulenin 0.5 uM cells	30 BT474 Cerulenin 2.0 uM cells	31 BT474 Cerulenin 4.0 uM cells	32 BT474 Cerulenin 6.0 uM cells	33 BT474 Cerulenin 20 uM cells	34 BT474 Cerulenin 50 uM cells (dead)	35 BT474 Cerulenin 0 uM cells	36 BT474 Cerulenin 0.5 uM cells	37 BT474 Cerulenin 2.0 uM cells	38 BT474 Cerulenin 4.0 uM cells	39 BT474 Cerulenin 6.0 uM cells	40 BT474 Cerulenin 20 uM cells	41 BT474 Cerulenin 50 uM cells (dead)	42 BT474 Cerulenin 0 uM cells	43 BT474 Cerulenin 0.5 uM cells	44 BT474 Cerulenin 2.0 uM cells	45 BT474 Cerulenin 4.0 uM cells	46 BT474 Cerulenin 6.0 uM cells	47 BT474 Cerulenin 20 uM cells	48 BT474 Cerulenin 50 uM cells (dead)	49 Blank	50 DMEM/F12 no adds	51 Blank	52 BT474 TVB-2640 0 nM med	53 BT474 TVB-2640 1 nM med	54 BT474 TVB-2640 20 nM med	55 BT474 TVB-2640 50 nM med	56 BT474 bottle med	57 BT474 TVB-2640 200 nM med	58 BT474 TVB-2640 500 nM med	59 BT474 TVB-2640 5 uM med	60 BT474 TVB-2640 0 nM med	61 BT474 TVB-2640 1 nM med	62 BT474 TVB-2640 20 nM med	63 BT474 TVB-2640 50 nM med	64 BT474 bottle med	65 BT474 TVB-2640 200 nM med	66 BT474 TVB-2640 500 nM med	67 BT474 TVB-2640 5 uM med	68 BT474 TVB-2640 0 nM med	69 BT474 TVB-2640 1 nM med	70 BT474 TVB-2640 20 nM med	71 BT474 TVB-2640 50 nM med	72 BT474 bottle med	73 BT474 TVB-2640 200 nM med	74 BT474 TVB-2640 500 nM med	75 BT474 TVB-2640 5 uM med	76 BT474 TVB-2640 0 nM cells	77 BT474 TVB-2640 1 nM cells	78 BT474 TVB-2640 20 nM cells	79 BT474 TVB-2640 50 nM cells	80 BT474 TVB-2640 200 nM cells	81 BT474 TVB-2640 500 nM cells	82 BT474 TVB-2640 5 uM cells	83 BT474 TVB-2640 0 nM cells	84 BT474 TVB-2640 1 nM cells	85 BT474 TVB-2640 20 nM cells	86 BT474 TVB-2640 50 nM cells	87 BT474 TVB-2640 200 nM cells	88 BT474 TVB-2640 500 nM cells	89 BT474 TVB-2640 5 uM cells	90 BT474 TVB-2640 0 nM cells	91 BT474 TVB-2640 1 nM cells	92 BT474 TVB-2640 20 nM cells	93 BT474 TVB-2640 50 nM cells	94 BT474 TVB-2640 200 nM cells	95 BT474 TVB-2640 500 nM cells	96 BT474 TVB-2640 5 uM cells	97 Blank	98 DMEM/F12 no adds	99 Blank	100 BT474 TVB-3166 0 nM med	101 BT474 TVB-3166 1 nM med	102 BT474 TVB-3166 20 nM med	103 BT474 TVB-3166 50 nM med	104 BT474 bottle med	105 BT474 TVB-3166 200 nM med	106 BT474 TVB-3166 500 nM med	107 BT474 TVB-3166 5 uM med	108 BT474 TVB-3166 0 nM med	109 BT474 TVB-3166 1 nM med	110 BT474 TVB-3166 20 nM med	111 BT474 TVB-3166 50 nM med	112 BT474 bottle med	113 BT474 TVB-3166 200 nM med	114 BT474 TVB-3166 500 nM med	115 BT474 TVB-3166 5 uM med	116 BT474 TVB-3166 0 nM med	117 BT474 TVB-3166 1 nM med	118 BT474 TVB-3166 20 nM med	119 BT474 TVB-3166 50 nM med	120 BT474 bottle med	121 BT474 TVB-3166 200 nM med	122 BT474 TVB-3166 500 nM med	123 BT474 TVB-3166 5 uM med	124 BT474 TVB-3166 0 nM cells	125 BT474 TVB-3166 1 nM cells	126 BT474 TVB-3166 20 nM cells	127 BT474 TVB-3166 50 nM cells	128 BT474 TVB-3166 200 nM cells	129 BT474 TVB-3166 500 nM cells	130 BT474 TVB-3166 5 uM cells	131 BT474 TVB-3166 0 nM cells	132 BT474 TVB-3166 1 nM cells	133 BT474 TVB-3166 20 nM cells	134 BT474 TVB-3166 50 nM cells	135 BT474 TVB-3166 200 nM cells	136 BT474 TVB-3166 500 nM cells	137 BT474 TVB-3166 5 uM cells	138 BT474 TVB-3166 0 nM cells	139 BT474 TVB-3166 1 nM cells	140 BT474 TVB-3166 20 nM cells	141 BT474 TVB-3166 50 nM cells	142 BT474 TVB-3166 200 nM cells	143 BT474 TVB-3166 500 nM cells	144 BT474 TVB-3166 5 uM cells	145 Blank	146 DMEM/F12 no adds	147 Blank
Factors	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA	Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166	Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166	Sample source:NA | Sample Type:Blank | Drug:- | Drug Treatment:NA	Sample source:NA | Sample Type:QC | Drug:- | Drug Treatment:NA	Sample source:NA | Sample Type:Blank | Drug:- | Drug Treatment:NA
Urea 44	202048.4411	287692.8834	252959.0382	21144528.57	21915370.87	20477968.69	21059736.54	12847742.2	20258944.55	20321604.87	16519768.5	21924649.49	20959782.2	20220162.91	20520283.41	13030513.86	21022703.56	19715601.33	16822712.79	21185962.22	20330202.2	20639979.35	20585655.16	12922580.03	21305429.48	19792938.2	16928119.27	17305882.55	15731856.23	14268031.51	16260852.3	16420273.42	14459510.07	797978.5038	17586177.51	16257280.08	13025554.31	15058269.75	14809272.94	11864056.37	948713.277	14948330.41	14129088.2	11909896.49	14355583.1	14014872.02	11104530.47	1209823.047	215136.7742	208825.7677	228656.8778	21667548.61	21058644.65	20727107.13	20689294.81	12574957.46	20942257.73	21313743.35	20955236.83	19582085.95	19686870.89	19056184.98	19045190.6	11817513.55	20132457.24	20426267.44	20321489.83	19784971.69	19669158.62	20289948.79	19445900.05	12155994.82	21413875.65	20649953.1	20042363.89	16544026.52	12665430.51	12607533.74	13452578.31	14265432.25	14410835.75	14810667.69	13531189.66	12596570.42	13462543.69	11859546.84	14475434.2	14080208.64	13866587.56	12368435.12	13177706.23	13800469.42	12208655.15	11810774.67	14164145.26	12416398.67	240298.1933	13994.37927	217101.059	20905771.34	20781583.06	20315018.02	20608321.7	12511792.31	20653981.47	20666027.43	20068976.14	19754382.65	19932448.47	19442676.55	19580233.56	12353022.06	19753539.85	19874983.95	19770923.6	20084716.91	20225953.38	20596726.99	20052446.64	12511311.4	20339305.37	19624958.49	19491922.86	13598146.9	14350088.37	12852773.28	14093041.41	12527565.81	12593679.69	11865090.62	13129150.17	13157898.18	12773869.63	11768431.37	13182670.85	14638326.69	13864862.12	12495294.52	11720064.31	12351516.05	12413078.55	12333864.33	12935185.4	12668364.32	264764.4531	148621.4794	325235.6966
Glycine PARENT POS	524077.328	6965695.65	552930.142	4844950.464	4658958.64	4175893.967	4239422.192	3513110.664	4693414.142	4195960.446	4870232.93	5159384.693	3957790.138	4314513.212	4437511.857	3739015.492	4793373.2	5107329.412	4325526.251	4393395.364	3986587.228	4644416.562	4302404.818	3893853.735	4723813.613	4238447.271	4983419.422	28537142.34	26820573.57	28062298.48	28777085.45	27230451.61	25992495.55	598453.8715	30382095.45	31437233.69	30127662.57	30383790.88	27316706.91	27638902.04	594308.1095	28259175.25	28425409.25	26483586.84	28424120.19	29124360.92	24097950.14	312651.785	970215.6125	5928970.174	371380.1375	3917779.723	3800663.878	3813156.029	4159186.122	3613107.452	3857190.553	3987471.601	3927345.798	3976167.394	3988308.989	3620382.79	3693747.705	3359547.162	4023921.044	3697778.964	3630509.558	3985877.575	4043648.407	3834334.657	3395283.055	3484464.935	4378593.517	4013016.813	4024250.982	29024178.32	29372581.53	27940412.26	31560247.09	24661466.5	29529907.14	27340470.91	29954013.81	28189119	28284093.61	28922558.15	28717317.57	28692918.7	26932796.84	25126057.76	28142125.65	28530377.06	29634993.94	25489277.67	29120252.04	25112186.31	557161.154	5996240.278	567088.3575	4135270.543	4100224.526	4469425.654	3781232.59	3465827.904	3720698.263	3949260.72	3716394.243	3923687.483	3880790.337	3976500.812	3790256.213	3365555.427	3891455.44	3772122.076	4146038.058	6897663.028	4133906.795	3905083.429	4097323.159	3226279.774	3929697.661	3678428.284	4374050.919	30924271.66	29294161.41	31063474.38	32202668.19	27295567.58	26171277.32	27263143.76	31513780.97	32690644.42	28880151.79	29099114.85	31058229.56	28622560.56	31718720.57	30944006.18	31107304.03	31018234.86	28942846.85	28282573.47	26220719.9	27726623.35	471739.9125	5344453.316	339898.435
Alanine PARENT POS	200436.9013	7884555.176	156758.5164	21198654.57	21005003.88	18443633.61	17650165.67	880587.9057	16544539.43	14138098.53	9252461.153	22406985.46	18635158	18511623.63	17297866.46	889945.8019	17794563.57	11440052.5	9165280.176	19999837.36	18522004.28	18390242.78	17291803.65	799111.9003	18132437.79	13181228.32	9294444.648	82941863.29	77049545.63	78735466.75	72990395.11	75849527.98	55347197.73	544927.5153	86730010.3	81421959.36	80373359.58	74573802.81	66043595.66	52920902.99	699931.9512	80605026.01	80380072.48	77322636.11	71183635.48	70928971.78	41347672.91	669916.8615	249344.298	7780259.137	103655.0849	20601909.44	20439506.83	18251276.54	17810097.24	825250.1866	14369968.75	12732888.62	11661686.78	18991753.42	19418299.58	16425193.06	16648884.46	806528.5853	13893498.94	12224996.92	11801495.42	19747079.1	19573679.87	17810855.46	16765294.15	883405.2186	14906336.16	12365756.78	11416446.34	80889653.17	84488296.19	80223575.36	77731690.83	66657180.28	62625468.03	62637383.4	82341671.06	81339314.4	75592168.41	73048365.39	64710868.89	61800776.27	64947431.9	77572480.42	85546340.82	82150197.62	73986960.1	62050449.22	62324177.83	61765619.43	55375.14678	8140040.617	141838.7211	21117973.72	21277155.27	19814644.33	18446417.5	930590.0676	14619613.73	13966188.25	14965136.89	19598152.55	19652739.03	18191883.04	17078176.88	888566.0315	14547482.75	12966054.57	14729901.29	20084354.07	19918703.03	19963978.28	19270400.28	881679.8465	14217185.01	12932065.12	14880658.19	80090611.7	83545052.71	81344100.93	78556346.88	61922632.73	59693851.09	62164040.55	82223968.5	85467899.18	74077287.14	74803943.74	65957392.89	62418364.32	68002543.41	82220287.5	83294237.37	80307598.21	72225415.68	61875145.08	58417187.3	63609700.71	324308.1921	7747876.74	190856.6151
Choline 60	985.7834489	122628.2992	777.0121821	3617.708804	3267.355722	4364.440597	1902.542594		945.4041085	11084.39791		1873.432375	3793.888108	1671.890568	814.5744932	17409.81293	861.7761964	15848.36013	21864.20544	167.7208651	3973.787496	4602.984	449.0173288		1796.589428	2528.037839		40217.79593	787.1700357	1376.094346	43545.44787		2631.6319	5056.592902	6185.991313	5026.897827			3209.634245		633.7696647	1447.164762	36167.90619	2994.936591	2931.702843		13974.9675	1345.887275	7636.589225		4472.598599	1776.401871	3110.219955	7001.892552	1070.171472		3639.460432	1474.616591	2156.351487	4042.31006	1268.124545	13794.32065	825.1032793		4561.434588	584.9862596	6539.596236	3935.666713	3720.381616	3833.764189	2254.85691		145.1611226	9442.108065	4856.314521	10017.8579	15134.39969	18264.81628		8463.089892			4528.958322	20342.14633	9082149.796		36183.5968	12852860.01	4211.072967	6719.01721	185.1965843	5499.173318	9749101.288	13544552.57	13909830.59	50056.399	3406.808099	67075837.74	4247.368814	381.2124486	1704.276065	8649.354834	3566.398388		8332.34474	1244.2019	5592.602792	3186.666804	1075.345197	1603.932437	469.0568608	82547.20691	1308493.505	1366368.056	5573.209087	7168.685506	10452.56898	830368.5401	2542.877749		7610.678892	1431461.301	5127.653415	7129619.846	7324252.318	7039096.104	7378610.597	10350669.44	12935314.79	13596516.83	7029826.209	7250327.796	8237667.45	8216359.524	9930245.151	11586944.94	13904412.79	7526809.804	7094513.306	7160018.24	8386661.709	9917809.615	12104141.01	13832089.55	7786.645117	66405031.72	3187.175929
Serine 60	5332.603755	24434345.39	10798.96416	18409741.93	17047808.97	15749120.86	15666226.36	26948299.76	17785738.34	16868943.95	25849534.5	16958285.77	15880737.14	17947949.31	15160583.07	27477114.49	16866128.66	20311301.83	26553914.43	16679345.17	18187409.86	16578347.93	17032383.47	27263706.03	18746796.8	17165885.68	25593733.63	49985773.99	46720741.28	47027720.35	48034618.07	46729744.13	33566645.18	463428.276	49595307.45	50667155.34	50681680.3	49295197.67	44622607.46	31487415.38	570021.7484	47810058.7	47871646.59	46978762.88	46948534.13	45074111.49	24327217.19	773034.3583	9515.3483	22356841.61	11532.99977	16673511.18	16018107.94	16802130.63	16117620.34	25321311.46	15875118.5	15250130.4	14658325.5	16662139.63	16473987.52	15513240.33	16638313.71	25406396.53	16482835.18	14401652.52	13429476.46	16540079.93	15875345.64	15452621.46	15515320.78	25257366.41	14865331.09	14871108.54	15316263.01	45853534.75	51971027.77	48834761.93	49602830.98	46056864.71	45786629.6	44594878.74	48713119.21	47990731.64	46494271.42	46617056.33	43871137.65	45110555.68	42683904.97	44049005.26	50174729.23	51338966.73	45898778.1	41941035.79	44658905.98	42403858.87	14462.78789	23354933.35	13677.46152	15415203.22	15961407.26	16536582.21	15267127.95	25388512.44	13778383.63	14120020.7	13684311.36	15869257.92	15990941.68	17500716.85	16265873.23	26332096.57	15012881.44	16437613.63	14475344	17375121.17	17694137.13	16258782.94	15646115.48	26996034.08	15227573.89	14993589.34	15070760.66	46665018.6	49751467.67	47828966.69	45941290.14	42693482.94	41674096.03	35123516.7	46570641.82	51336386.13	44671855.27	44876465.75	44372585.2	42990331.62	39842784.32	49553841.09	47366223.82	47815313.78	43562654.87	42265402.05	40636785.95	36171227.06	7778.21061	23427099.7	7408.126221
Proline 70	2744.855485	14822208.26	3813.969737	13022397.87	13118489.77	12636858.88	12156317.26	15745722.94	12521243	13243187.51	14951063	12302220.27	12835774.02	12845886.17	12087696.5	15892573.44	12059658.01	14390024.54	15170815.75	13037871.11	12592154.32	12402816.58	12724121.89	16212527.24	12322146.74	12998643.8	15307511.26	29236378.72	26853367.54	26773007.61	26288859.82	26568543.2	22933935.45	211688.9947	30855596.14	28809638.36	28323400.83	26529538.3	24541601.71	21170210.51	281462.7392	28512383.69	27836596.22	25271374.98	25598492.38	24804904.71	17726567.89	299443.7748	987.0226918	14378291.4	1026.566967	12792533.36	12891192.74	12868748.83	12450456.46	15560537.16	12372920.13	12073732.28	11943877.61	12950523.8	12363153.58	12372484.82	12356257.76	15471499.13	11904292.32	11265434.17	11320224.87	12035676.3	12713557.84	12375773.65	12096468.55	15532351.75	11765338.1	11948941.23	11784233.79	29528045.3	28910499.56	27581853.93	26837644.48	24899343.32	26629722.06	26765117.34	27710536.36	27549266.38	26142316.14	25473720.59	24376372.8	26374491.17	27538634.78	26210359.33	29375122.03	29187543.92	25483190.26	23705324.74	27012742.07	26455492.11	1777.948651	13873284.8	1756.650478	12420024.38	12031002.83	12385188.75	12622108.51	16362075.84	11618544.19	11477122.39	11873989.21	12445609.26	12434772.03	12353544.49	12711536.18	15155507.71	12029168.07	11935175.46	12463988.83	12333406.61	13074322.51	11982248.76	11672436.44	16058711.44	12201437.14	11662226.6	12548260.17	28400524.23	29532668.77	27302051.94	28490180.95	25059327.39	24736590.19	26766043.06	28693757.14	30340089.37	26817932.77	26546804.8	26026474.89	27459960.1	30774201.33	29058063.84	27882764.28	28051079.99	25931112.6	25252672.68	25044887.17	27692324.58	1565.992863	14145777.29	3153.979337
Valine 72	6154.506133	91585296.16	15267.89051	31505493.48	31374787.07	31013042.42	30073257.01	43385263.05	31094929.39	34241392.4	42474778.37	29841986.61	31788098.19	31044660.28	30135756.46	44286670.84	30083567.79	38462611.62	40583507.19	31233250.92	31028353.33	31603252.82	31111152.73	44661243.42	32002550.51	33639609.73	42359749.72	37054903.91	34886010.01	32906702.24	34817156.55	36283409.51	34416022.56	843723.958	35758651.32	33799141.23	31839544.66	32675851.12	33119678.89	31050153.17	983167.1867	33035642.77	32560711.51	31314547.29	33024365.98	32681677.51	29616914.44	1030902.716	10937.62768	89569417.19	5523.904368	28904507.27	29490289.08	30209961.05	30712493.74	43027579.3	29711266.93	30310370.99	29604038.99	31179956.27	28041308.6	29110562.08	29480411.28	41770236.07	30237325.22	29247754.02	28824214.42	28702891.34	29457625.9	29506593.72	30443658.58	42358854.53	30193177.13	29037445.86	30676997.77	35316723.09	29175083.41	30322392.16	30994206.02	33776576.06	33912234.79	36712878.73	30803463.27	29817778.84	30149704.61	29291861.3	30876823.35	33176233.24	35641689.88	30633206.2	31487712.34	32152112.07	29623587.46	30403903.06	33752348.12	34257063.87	4394.721471	89038543.69	9853.703402	28232950.71	28595711.98	29790737.81	29885933.03	45128004.13	28247843.64	28510366.17	29795362.78	29062491.61	28816219.8	29601042.69	30088274.73	44324690.34	29757682.8	29868567.33	30841947.95	29652103.44	29365949.96	27673683.27	27764512.89	43840809.27	30723820.03	30011792.77	30828054.1	33835307.49	32668280.58	30403247.35	32066358.24	31710738.49	32361896.16	32186868.18	31650260.58	32006815.86	33453947.9	30957936.24	33461515	34611945.2	35825057.65	32499261.14	30000032.54	30695762.93	32683277.64	31700039.56	33506188.12	34485350.93	3420.339672	90489457.83	11111.26083
Valine 55	2376.26785	38620439.88	2041.264663	11345372.79	10921281.12	10877271.57	10425265.93	16133423.81	11252055.85	12187183.6	15524368.05	10615292.76	11059436.98	10901009.78	10749865.35	16272326.86	10791950.99	13829202.57	15376319.87	11048864.76	11210877.41	11195269.13	11242356.13	16523403.94	11124084.08	11967800.93	15397638.62	12688044.27	11949892.61	11273052.85	11992379.48	12635738.82	11997850.12	297754.1051	12368641.81	11664718.59	11141614.66	11617788.87	11859672.67	10672318.74	342484.7831	11762149.67	11689841.52	10571966.37	11233390.99	11274763.99	10402241.77	365196.4765	2273.669692	37612687.47	1713.683468	10204821.79	10190526.99	10595424.45	10485540.15	15616377.5	10397940.49	10568496.03	10485081.68	11094887.41	9887446.827	10088192.38	10524051.83	15995985.27	10876036.64	10372415.71	10264981.98	10331107.95	10353993.41	10197288.96	10495080.24	15597874.36	10405486.7	10201870.05	10730185.19	12082289.91	10111270.38	10154633.48	10670308.74	11494312.76	11961774.88	12731241.91	10534079.21	10149880.04	10429565.87	10074575.58	10713467.43	11852987.03	12413193.96	10309928.24	10927891.76	11029097.24	10014978.54	10373266.42	11705438.36	11846589.1	1585.7972	38146398.27	1025.651852	9933718.078	9734294.837	10145945.61	10513503.29	16144358.87	9781507.365	10141925.11	10494501.56	10113961.69	10166594.67	10574694.9	10627720.13	15880776.46	10380753.38	10485107.65	10654793.16	10258104.35	10320564.28	9806275.114	9548998.185	16167986.72	10600737.76	10328900.19	10724499.19	11439138.35	11227749.58	10643197.08	11157270.26	11356120.65	11247022.3	11157943.47	10967169.16	11262844.02	11611264.41	10658441.64	11425669.14	12073393.67	12491480.9	11221455.39	10273006.85	10882419.93	11193970.02	11126040.02	11738070.29	11645318.4	3454.385544	37719800.45	887.2958421
Threonine 74 POS	42570.58018	59827632.21	32484.59135	18864100.85	18010788.84	17000728.44	17025764.44	22300395.4	18174782.06	19109512.23	20265628.7	17434583.99	17722624.74	18130216.76	18253469.51	23142219.42	17634787.09	20440969.46	20462770.4	17782775.36	17957010.3	17526409.13	18630274.04	23505456.68	18324862.5	19214287.99	20593046.79	17230546.18	16437038.24	16049381.72	16437247.63	16562941.55	12749723.31	596107.9784	17404866.77	16940458.07	16101421.97	17024247.18	15737366.56	11723884.11	632693.5307	15854753.56	15894071.82	15073189.97	15912163.3	15317117.83	9878362.732	695517.9227	49298.63998	58442027.61	47511.05483	17171446.83	17758266.91	18082763.55	17313329.62	21719975.05	17212774.77	16946209.08	17034767.02	17404231.81	16709760.16	16276004.68	17049304.89	22098000.05	17199024.15	17231733.77	16615996.54	16903189.16	16435268.61	17191266.74	17395391.52	22474782.31	17328020.13	17918971.26	17832030.4	16886570.9	16207796.94	16107004.98	17082786.28	16745545.82	17366294.74	19416147.39	16230756.46	15389659.71	15622207.43	15620240.91	15953495.56	17548191.64	18628007.95	14530808.77	15975384.27	17126959.68	15688646.13	15379825.83	17395565.56	18756408.28	48769.15156	59543905.15	48654.71048	17595077.28	17310656.54	17239550.54	18091726.01	22557960.7	16905903.76	17344170.21	17133338.21	16821166.44	17231267.61	17400846.5	17014520.18	22915729.86	17198467.49	17525391.45	17795464.07	17348289.4	16830232.9	16165777.67	17004373.75	22662071.46	18298479.64	16816133.23	18325015.55	15981037.19	17016227.85	16062330.07	16029727.43	15163521.82	14967038.06	17494853.47	15879667.44	16227030.67	15909161.64	14818582.56	16378242.89	16336449.16	18977643.82	15622617.93	14946986.44	15346637.11	14890342.73	15638101.92	15541941.23	17375266.9	39490.58252	60209273.88	27793.24124
Threonine 102	1640.375291	34587557.34	4103.020674	9505809.618	9145849.294	8428747.409	8560128.687	11878993.21	9245410.164	9514270.161	10705827.53	8710696.338	8866605.893	9525070.128	9071232.223	11763418.07	9026919.355	10672162.36	10629148.3	8987215.302	9149798.524	9078285.943	9487611.979	11860812.52	9444464.26	9709182.379	10578811.76	8828422.854	8158127.452	8181671.194	8382144.192	8336366.385	6490995.286	1086050.354	8793232.561	8838469.573	8126570.603	8579301.717	7980553.533	5730561.648	1313840.867	7952835.254	7911631.809	7736028.679	8021932.864	7646840.157	5010674.206	1303732.938	9494.659199	33227215.87	12053.73121	8771040.288	8849910.057	9222946.257	8402929.414	11280784.81	8767458.273	8713721.568	8631179.151	8848380.503	8251973.347	8383185.39	8597610.974	11629612.37	8979155.137	8388701.801	8479522.799	8568921.305	8498713.923	8586820.584	8746522.456	10976065.5	8822635.416	8692584.18	8789214.434	8638020.329	7979557.381	8123870.788	8448761.24	8585905.143	8985570.346	9989864.259	8184600.527	7681286.773	7952393.763	7841477.049	8313151.01	8877424.225	9726617.404	7477179.803	8057682.915	8699410.493	7944272.246	7760220.461	8910805.816	9488658.148	7084.025148	33383232.97	7868.629332	8328507.594	8512016.125	8902004.258	8765000.726	11402567.35	8626565.802	8676533.202	8438305.394	8506372.966	8523674.964	8779940.657	8622442.377	11613346.19	8910229.885	8705124.638	8844246.899	8635911.673	8691428.173	8504979.367	8342595.75	11890374.67	8648180.482	8548001.138	9108801.724	8056432.405	8469583.457	8121247.931	8012725.513	7580061.084	7872548.929	8743884.816	7918184.418	8380334.503	7851283.311	7435470.95	8281560.729	8338351.449	9982486.781	7714906.631	7578903.71	7617707.575	7512799.81	7898577.39	7811239.45	9020626.269	3114.894221	33295749.36	514.1262924
Cysteine PARENT POS	2477714.93	26553895.76	1899281.771	25524014.05	25641018.3	23228948.2	24264841.14	25802600.84	22023850.56	24208404.22	24635665.73	23179420.25	20402533.99	24039423.88	24262447.65	24342686.7	19906156.96	22634865.7	23797106.85	21441060.88	22414619.87	20511173.32	21660891.92	25455735.16	19925931.39	22686983.91	23726108.48	10168609.66	7654970.758	8832681.482	11301875.43	9574255.47	7660091.574	4776950.253	11928366.81	12516281.1	15351503.27	14505955.37	13261012.81	18246254.37	12034234.07	12438204.62	13601594.06	12155435.89	16038494.7	19255017.56	15641209.75	6645283.226	1885170.751	25280577.89	3477289.696	22275648.32	20151468.1	19611399.56	21759828.11	23737733.68	19946222.49	18633039.1	21504892.68	11995509.25	22828438.95	18908867.75	22831902.6	24326447.05	22761107.13	21246524.7	19365135.08	20814493.49	19493202.55	22990104.55	20338466.4	23617831.28	22098568.3	20287652.74	23583608.77	13122304.87	15560656.86	11106276.11	20065927.56	10322038.44	24687958.02	16821629.7	16677993.23	14655452.83	18018254.56	21537755.67	17382638.25	27643658.46	15907224.7	9289888.68	11264008.75	18729009.02	26267286.48	23033689.1	27434690.36	13115452.9	1110221.932	27542544.2	4925821.957	22229962.26	19940854.48	6882789.232	21287964.3	25041299.15	20837465.04	5636001.395	20959930.24	20468433.73	21596051.51	20600842.74	20357708.91	21235320.13	20868570.73	25239725.58	20708267.18	22060458.29	19062669.18	20104037.98	19092775.33	23523388.16	20782571.5	20904530.97	23285678.3	16583629.07	4733011.187	21981044.61	20871353.77	21117370.72	20862814.09	19840753.54	21972540.29	26044307.11	21510378.21	23956566.01	26564035.5	24468222.08	32695691.27	24247677.36	26086982.42	24934773.01	22694639.8	23200723.48	26360023.28	25965114.38	1025220.032	28195008.69	2104466.816
Cysteine 76	2617.951326	242494.1573	3241.647974	142979.1511	123551.1807	117340.0824	131825.8263	92351.07167	144858.1916	313809.4544	122635.1569	123765.0568	111224.5194	127097.1423	107670.4004	82970.10673	142572.3896	278485.6995	97581.28901	128580.5496	113154.5462	112201.271	120366.1868	102221.8454	116393.8746	233599.5437	110621.4057	1914305.861	1442062.709	2233595.117	2789739.737	2281033.785	1866003.477	125152.65	2924423.208	4261971.705	3483184.333	4572033.915	4439914.865	4788612.925	61768.63815	1985198.239	2589200.033	1901006.304	4138171.518	4690511.087	3978765.481	104681.3896	32191.93975	261612.0926	11290.11493	280403.8008	235833.7251	184128.0846	231893.4156	170978.9099	206886.1902	193353.7834	220621.2442	210634.6606	182580.3723	123668.5534	168154.0138	140799.1906	132873.982	163886.6936	132728.4856	148630.041	133222.2339	85421.61069	122348.8517	114311.0649	110210.6436	103149.7912	129193.0393	3994704.98	3084634.189	2573794.594	6259804.477	2543902.722	7538358.631	4107776.796	4585362.528	3913694.512	4531637.432	6009786.025	6278144.453	7902195.938	3185054.061	2304622.067	2592344.065	3967367.496	6877889.33	5549504.21	8095445.092	2839939.864	14679.55554	303148.4496	37477.43995	391275.7803	493251.6095	344368.5384	439070.9569	285413.8497	267256.5926	276994.0412	237038.1836	264783.4655	224442.4075	201452.9018	209696.7938	213702.5499	207178.0189	186035.8225	183098.3435	173104.0809	152269.0214	145431.1592	169759.3122	148389.0469	129376.8228	137200.2391	152383.8876	5430615.752	165886.643	6467553.723	6490510.47	5693277.624	5433086.28	5095888.781	6596304.54	7654467.137	6435411.162	6060603.823	7612904.727	6841577.434	8401531.087	6595997.424	6658957.39	6970516.586	6262045.586	6461807.342	6874502.753	6627041.555	62257.88392	329005.0952	24603.4322
Niaciamide 80	37198.37429	44894895.99	53469.12052	23646778.4	23488449.28	22202451.99	20976175.68	23372736.28	21128058.85	19529214.18	23288332.97	23644668.52	23088485.75	22171999.37	21882987.75	24389863.14	21155239.49	20290876.19	22931790.25	23237848.69	23141241.72	22597101.98	22314220.16	23700654.83	22086183.97	19724240.18	23424625.05	20474693.85	19205204.19	13280654.4	17873163.64	16243895.18	12497373.47	416777.6837	19433495.4	20951442.03	14398687.45	18022902.73	17491579.57	12200047.73	423231.6999	16952530.27	14557033.93	10452938.85	16712123.53	14804567.31	10127110.68	474009.9008	74584.94023	43277159.3	60083.55943	23484069.29	23730752.59	22882518.04	22813971.69	22560111.54	22758546.14	22396830.18	20675898.43	23056380.14	22238919.81	21797133.12	21946061.36	21995171.11	22639767.75	22238129.8	20714847.78	22391935.21	23063672.94	22615124.4	22105177.46	23019121.73	22732276.14	22344110.28	21020047.31	21734582.64	14273067.96	13670143.15	18257118.02	19162516.24	20328513.81	15336565.67	19926619.69	15233934.26	17796919.78	16131968	20817436.67	18991169.83	14163406.55	14389433	14298690.72	16181461.61	16409641.57	14487792.64	20033243.99	11670794.09	87222.42889	43159513.61	70153.58818	22944873.74	22745766.25	23452789.57	22940527.82	23176735.99	22024055.26	21812610.58	20480786.53	22607340.4	22763759.03	22720394.38	22430534.96	22758025.6	22879341.05	22313936.66	20594239.34	22438387.58	22773342.8	22680761.44	23010196.41	22714509.51	22714024.53	22185576.68	20371429.05	21507805.16	19614298.9	19451282.94	22108949.48	16154347.87	17156246.55	16915914.88	22046726.83	19948546.16	22486585.07	17900516.78	21861905.58	24536936.65	20861244.61	18437515.02	15957398.56	18328401.64	21339778.74	21917681.2	20216794.77	17160707.99	63369.39384	43138307.63	58408.47544
Niaciamide 106	10550.29564	1135969.213	9962.891989	446113.9659	454881.7918	414772.1327	401097.7037	452231.4904	388914.7424	363725.9204	419632.3096	463684.3629	446217.2845	427731.2177	398700.3036	490323.7797	383754.7052	379899.6236	402186.8303	459458.8376	436042.548	415411.825	423187.1543	449651.8772	420101.0475	352844.6583	441548.2589	364026.2127	350398.4512	238514.8289	309521.2022	293421.4583	218009.9608	10717.97108	331791.5729	374096.0333	239652.4725	331409.3211	303015.5421	219897.219	9842.509548	293799.576	254148.2222	167740.7614	291565.9153	255015.3247	169922.3537	5978.095925	9488.272463	1126573.087	9467.905685	449998.6981	450168.223	435832.786	453077.0065	425148.0713	423356.4564	432597.814	389642.508	451354.6614	432338.8402	412381.784	429551.364	416898.2133	430372.7518	421302.3761	391116.3517	438599.5737	451293.9993	420934.5763	415466.1303	443408.4032	446022.4618	429552.3696	399052.0377	395609.5341	240716.1104	253276.5592	316475.1589	348429.4936	372530.372	267777.049	355428.9773	262273.8698	312996.1045	280098.536	381222.4849	341943.1076	247483.2796	244408.8966	262741.6487	288890.9901	293683.5781	262976.2017	355941.946	201452.093	10530.90223	1078066.233	9277.67098	456156.3953	440259.986	456011.7292	437930.5506	425704.7155	415640.8754	417711.3185	392028.0064	417704.9008	427363.5165	432954.2909	421628.0525	429225.5894	447387.2188	425503.7998	376701.9886	431752.0701	435253.0427	441153.8875	434464.8662	428563.6807	437751.1893	414175.564	386601.1886	376513.6804	339095.9082	348433.512	397254.2911	282261.3816	311361.493	294165.5257	390748.2435	352607.901	399999.2321	312938.703	367003.7749	422337.8077	374623.0618	331040.9823	270092.8716	332473.4077	389845.339	401372.025	376744.103	326604.5352	8038.213513	1076217.742	7598.892309
Isoleucine 69	2369.98084	89525653.42	2347.891223	65351866.63	64831704.14	63231000.4	59912093.76	82751352.76	62508190.58	63848395.71	78521133.17	61223315.03	64054525.25	63797968.02	62553588.47	83373578.56	62483631.96	70685918.79	78496495.56	64875408.32	64730935.48	63703303.7	64299494.65	83159065.51	64876080.83	64319682.47	80004212.1	97186767.77	86476507.89	83076400.28	88028027.15	92704269.89	79460021.92	2012723.637	95189981.74	89422631.98	84435034.43	85073625.2	87227889.5	71758108.89	2274601.374	89837831.73	87991938.3	83156468.18	81206534.71	82342153.88	63353443.9	2472585.545	10286.83897	88648532.08	3465.141231	62035881.97	62938963.67	64102709.91	62311592.53	81939528.43	62185087.55	63409243.3	62060629.2	64832798.79	60552352.55	60959952.86	61048784.02	80102110.05	62705576.18	60085999.67	61170607.53	62499907.79	61369264.1	61468321.3	61384233.62	81530555.32	62212201.38	61745206.16	64116381.74	89730745.67	79927854.51	77094926.24	74887281.82	74585874.74	80476879.63	86677267.99	82243791.68	79241229.57	78510424.22	69584078.45	71403358.49	81630652.5	85860491.44	79299495.79	83361780.6	78420022.83	72288416.85	71471633.64	79802950.57	82771399.06	2102.282775	89552617.39	2932.50446	62020216.39	60536311.85	62553496.2	62957982.72	82375574.3	61457129.34	60245588.86	62938334.57	63011930.01	60200289.18	64455888.94	65828840.22	81752429.61	62588348.34	60449145.86	65659473.03	62257106.82	62724829.68	60295714.38	59611410.06	81737926.57	63758436.76	62824397.75	64773103.98	79103287.18	82458672.16	75460537.32	81042485.01	77360742.65	78322268.07	80344036.22	76133030.37	79448827.34	81575642.97	75535172.59	80074920.27	85871838.42	88012804.5	81924651.2	75065704	77826295.82	75970625.97	77449819.97	77679849.6	82479641.7	2083.142185	88249824.89	7256.631093
Leucine 86	281.3865712	55179559.11	695.2835913	38154752.52	38158936.65	36728667.67	34676123.88	54599302.98	36939095.9	39202258.96	49943625.34	39231487	37715856.44	38878873.19	38343514.29	54128967.45	35054360.28	42262164.4	50636074.7	40753641.24	36479751.69	36987279.3	38310217.27	51347332.05	39016644.5	41277704.79	50159680.27	157434943.5	143488020.5	132460047.6	144868392.1	53745562.75	130877725.3	3112.252156	156653577.2	143977243.6	137263489.9	59827653.65	139826181.8	119499453.6	3787.699171	51960945.49	45640098.62	136304793.4	55250926.48	136194529	105731874.5	1762191.466	518.1449695	56000060.6	1843.767642	38952156.86	35928526.72	39884751.33	38898430.88	49965399.64	38262964.36	36672279.07	36103830.45	38286702.4	36084511.93	35763631.97	38118319.83	54487058.27	37792336.11	35543906.27	37690712.17	36695535.18	40631683.99	37020985.36	35606085.09	52376960.09	34536980.87	35788070.1	38010493.43	142698131.2	68704531.25	58204273.28	121837921.3	54791809.66	56465611.64	142336229.9	133359437.8	127300754.1	49755818.99	47014471.51	57336246.84	133202293.8	137313280.2	126801082.6	137831075.1	66992195.85	116387639.6	118193181.2	132451522.9	69506730.46	491.4816424	55559552.64	2292.191163	37168622.59	35238626.43	36423037	39101411.87	53176853.18	36646748.56	35903646.1	37746510.71	38002234.93	37008865.38	39382406.06	38898972.19	53829085.77	38373371.3	37638547.19	39522374.43	38538411.28	38460006.73	36739359.09	34909547.89	54943453.41	38307289.71	36451492.06	37996923.41	48309988.3	133908643.5	123919887.3	56431450.06	45629912.43	127644370.6	129124765.7	124479589.7	57811050.37	53891262.14	122694966.8	52254564.46	136348518.9	143060982.9	133933868.6	125054628	46124932.85	49515673.29	126551531.3	54336609.3	49851342.85	3141.323059	58371910.84	3508.968399
Asparagine 87	3327.70458	1667320.367	963.907713	10664876.19	10588629.29	10051536.7	9852913.603	10977238.35	10293429.63	10655732.53	11417506.13	10349110.69	10019113.15	9827139.118	10132368.25	10820279.18	10410937.74	11095069.22	10810806.63	10370389.7	9923058.553	10139223.61	10308368.8	10831802.58	11059351.5	10586766.78	10973681.08	34802301.53	31999539.63	34638189.64	32352821.81	36157506.8	26708056.51	172939.0225	37853970.59	33340863.3	35120524.73	32734253.5	29540707.21	21125068.22	222074.5661	33749631.4	34156777.63	35279804.18	29708055.51	30978869.82	14009358.56	217983.7428	4963.588973	1591652.208	1175.532546	10598178.23	10227930.13	10425270.4	10284927.25	10734518.63	10217237.91	10448040.56	10210911.11	10428250.57	9797444.621	9364531.709	10322163.33	10932877.49	10095687.76	9912726.787	9742282.005	10350335.47	10454905.16	9820290.722	9563860.406	10656514.07	9813043.648	10095048.66	10027733.59	28953250.02	31972796.26	31227881.79	27720625.87	31210778.52	28583380.19	34281749.89	27536562.29	28606902.38	26770845.06	25288062.9	24916603.11	29175441.05	35873552.38	29156702.35	35133973.75	33477155.73	24780482.86	24398127.37	27010486.58	33492184.86	2934.501067	1546722.563	831.4497825	10202858.1	9617525.768	10188402.27	10225021.44	11030728.69	9635698.309	9658282.896	10183091.97	10349089.35	10119226.42	10584551.81	10115208.02	10767863.08	10078170.75	9946807.178	9702386.418	10256631.15	9870283.389	10170704.43	10034559.51	11200892.24	9974470.662	9777227.412	9745139.542	27050963.19	27749928.1	28236256.11	28235062.46	27213853.81	27412997.87	24376045.05	27077865.33	29943574.07	25113269.58	26480177.13	29341206.62	29068479.94	27859466	28155647.68	28369463.64	27540848.72	24075406.55	25335045.26	25556200.93	23978680.08	2052.943604	1709897.358	2401.482455
Ornithine 70	64620.58872	36785.85104	21340.75018	37474099.7	35022712.35	31301828.9	29869451.57	20222578.58	30931598.08	31276273.52	26601921.76	35041969.07	31550367	30158196.23	29698227.03	19136415.78	31894378.61	31070017.12	27257609.13	33303531.86	31958662.38	32544279.32	32801567.67	21106364.24	33540158.35	30153597.6	27322084.12	29925724.31	27397857.06	21302210.57	27987994.18	28756514.42	20904646.32	641266.9334	31480472.73	28906294.19	20629522.75	24007411.12	24381562.8	15503109.51	611050.9896	25762377.15	21327985.5	16394862.66	20870235.38	21132781.2	13683614.34	752827.9146	91588.09861	74728.6249	35813.38792	34029389.23	32630264.44	32777015.49	33600531.5	21585587.28	36085514.59	36086448.08	36357219.69	34115339.81	33761746.75	34456085.55	34260694.6	19781469.88	33698829.71	33287929.69	34822792.56	33270187.16	33997187.94	34771043.69	33517099.88	20725997.53	34642952.02	34571342.24	34494369.24	28934806.76	19392107.18	21308497.24	25298977.09	29877063.43	30892244.89	35625061.79	26265617.61	21360320.02	22166218.29	19765336.41	26242944.27	26858193.88	30517172.85	20219042.82	21749028.33	23243046.64	19704374.49	19356648.62	25983376.41	24181145.77	172144.4509	98112.90741	64030.83476	33249708.66	31773491.89	32134136.07	32149105.27	19719011.87	34317804.13	35754424.22	34104497.17	33949349.88	34142880.21	33081135.74	33541789.29	21391682.45	34587609.37	34052711.81	33514068.6	34379053.16	33365790.89	35346150.9	34028817.66	21140138.1	34337628.93	33597863.51	33307133.87	26625377.08	23811626.56	24273311.22	28288869.2	25318465.74	23546744.29	25517027.4	28372635.89	26184701.69	26246484.5	21072707.29	26341255.4	31913376.32	31039700.56	25855968.4	20053810.17	21893820.61	23514997.48	24297365.77	23911246.77	23699807.05	90051.17233	89803.16123	79860.24518
pABA 120	5187.52792	52846.11049	4878.37845	143293.4715	138964.0106	137906.6641	134719.7384	629978.9241	136651.4881	141068.9665	823438.2023	134261.2345	142156.5958	143237.9603	137395.6434	616077.6093	130110.1106	141261.8755	811980.3915	138122.6058	137624.6703	136853.7581	151064.8694	634060.1879	128464.4619	137096.6545	824113.9346	70473.8308	66927.984	64864.46328	93290.41	55382.52731	103926.2674	21951.94473	68630.95341	69439.53193	43158.49659	61648.16007	62472.32157	56407.59802	16742.90366	62504.9026	55074.15452	40161.18458	57072.2901	46957.18345	50644.70697	18829.28456	2331.242393	54059.14549	3155.697595	138649.4074	142661.153	135363.1699	128762.1273	618313.7443	141638.289	131569.8417	143432.5016	137587.5549	135000.712	129775.2388	139426.3957	598282.3063	134682.983	139745.8191	135638.1087	130333.5613	129655.4309	138971.6633	128485.4083	614947.491	135092.6489	143530.0878	140144.4267	73534.06727	45640.63486	36786.99836	54133.51929	189559.817	62306.94405	55764.68649	46819.77552	27152.7925	66210.20319	44226.58185	89243.64822	56131.12362	49775.62061	37559.32242	46414.18142	36488.69955	44063.46102	49553.06939	51904.77698	38113.36509	2841.395678	53953.87856	1795.3209	135764.938	126155.1722	128447.7461	129818.6312	624975.8758	136183.274	129695.938	130237.3946	132417.0934	123330.6519	127918.9104	130221.6365	652712.8668	131995.7985	131231.9723	137660.1026	131371.1926	132865.2636	138117.6003	135350.5865	622454.555	141533.1962	119784.2271	127255.8471	63694.40804	65969.83987	50000.47095	96265.5122	26743.90063	31058.71233	40506.75018	54488.40737	52840.04178	62270.091	24919.83904	68283.07288	36446.81081	40506.99113	50647.70433	23234.13945	46252.10806	49576.56984	53079.28735	53423.96757	47365.98372	2596.677104	47108.53813	1360.527179
Glutamine 84	14508.61965	111682043.3	9860.442056	55786251.63	54014666.69	52900359.57	52264663.46	71036499.42	56307022.34	55576439.39	64780539.82	53524451.96	52155412.07	54630629.57	54688969.09	71039327.65	55504260.36	62146823.54	64008605.25	53084358.14	53264283.59	52622075.27	55588657	71527928.85	56054507.08	56637202.16	65147564.65	83377110.78	82193870.89	86844296.98	72614698.42	88821631.2	77244354.41	2587482.663	83902058.74	73287951.08	74270099.3	73025179.23	72154511.99	55527474.28	2792705.68	83107741.77	82421267.4	83303801.31	69004406.87	68322583.32	59907676.31	3622857.42	11025.63864	105610240.6	5745.109359	51982025.01	52442628.62	52768843.87	53274629.92	67409722.94	55334988.82	53884068.47	54971076.99	54210298.07	50609530.74	51832100.87	52804503.19	71036306.77	57283535.25	54703904.42	53968232.56	51160590.01	52465440.38	50558134.11	52018890.98	68666041.85	54600781.16	54429564.72	55219097.42	68328856.39	49597061.23	82564500.6	67260103.69	89419565.62	73959347.17	91670650.29	60944560.37	64449753.95	56192103.92	59288720.22	76134241.93	72561214	96342126.31	76958484.37	83337975.07	83948186.17	56053535.68	60482366.39	73560898.39	94331426.04	11475.93491	104944972.5	6584.098674	51046039.47	50459473.51	49176982.21	51239412.81	67936184.29	51250947.44	54642870.89	55733728.78	50636777.91	51996462.92	51582647.18	53643476.52	70820526.25	54295965.58	52019244.32	54620968.81	51271716.1	52193011.22	50404610.02	51135408.26	69967427.83	51080143.38	55435924.91	53986052.73	64825337.21	73451982.43	61528733.33	64738512.26	66165015.32	69166190.2	68504582.69	66786686.73	63385465.48	63593966.04	56170590.42	73855533.72	71804186.25	71538556.82	59659539.04	55339541.78	58536450.98	62007668.85	67227778.71	62779294.05	62741933.04	8724.505431	102664099.9	27847.19368
Glutamine 130	757.6060483	210184.7421	1499.386045	99542.46224	83998.00402	92506.11118	82546.16501	115641.1625	91526.53995	87025.47078	110810.2355	86182.78796	77382.45793	92820.62858	82557.8089	123077.6731	92832.94875	103677.5226	101776.1204	78808.40213	87562.73508	83045.01884	88979.58952	119581.9405	89779.36116	89873.16778	92811.81493	144517.9804	141363.9309	162686.4381	135994.226	165996.9659	136879.4606	4058.596301	143289.14	137480.67	133689.0569	130176.3412	122538.3939	95149.65821	2927.429013	160043.3314	139845.5933	139851.704	130331.6212	118655.2416	96442.20873	5374.80745	497.4050761	190607.9593	1234.196809	80963.25384	81788.26383	87744.72476	82935.20332	103703.275	89194.46494	97882.9152	81445.22324	95238.76047	78326.94412	79571.35768	87066.24721	112546.2976	83779.32112	88953.50041	83929.80797	85555.01893	88535.99273	91970.86568	86765.80877	117243.8144	86440.23694	89491.40069	87139.31949	119450.471	91146.41596	134833.6873	110980.323	170228.4007	136339.5626	167824.4513	106949.7719	105940.637	90492.51063	105786.9877	123302.4963	126485.0082	167840.937	137516.6004	152722.8662	156208.3686	101200.3938	96784.7499	122526.3802	163381.5012	711.2387825	196943.964	883.4619128	88868.13646	85911.93761	92309.88457	87963.48328	113844.3905	97475.68342	86117.94203	94101.99172	76909.94505	74154.29041	74952.74459	84892.24785	119434.9325	94541.08414	89438.81836	90032.53113	80164.99375	87545.7442	88519.59777	74752.747	110538.8332	78080.67763	87466.09393	90894.18201	108882.0514	129663.8399	99804.46632	94771.35999	121973.9172	114630.8364	117976.047	106943.4323	102932.3285	100121.2143	100593.5928	124046.5511	119034.5856	123792.1141	98386.30133	94414.31798	104017.7791	113203.8402	117037.4063	109442.883	110668.7147	1097.418281	188676.0442	702.5961324
Lysine 84	48033.77398	83742253.58	113678.9978	17764829.8	16375343.11	15858480.2	14726478.28	23808909.68	16495040.55	18699282.31	24703448.34	15772543.63	15931815.04	15230443.99	14985030.77	23756031.32	15865775.47	20137649.7	23354978.16	14836420.18	16017520.3	15966082.26	16359494.31	24320433.71	16615378.39	17318837.49	23913396.34	12798915.32	10987581.56	6993202.01	11245601.18	11959561.33	10265699.27	309544.1548	11864989.04	11900644.87	6896722.38	9609337.1	10335350.27	7740086.941	348056.727	10108016.49	7947072.312	5573303.76	8524365.154	7974164.183	7525563.191	361784.4958	31708.39655	73857595.73	119377.7146	14948141.82	15070654.16	15501374.12	15705772.64	23856669.02	16271233.82	16418669.1	16580644.62	17261204.79	15708079.38	15332022.41	16257557.03	25106822.85	16137719	15991135.88	15548244.77	15708778.74	16188041.59	15644119.52	15593277.34	24053985.83	15535992.13	15272212.02	15859369.71	12023983.88	6167639.769	6838454.345	9402420.041	11526363.05	11426178.93	12794445.38	9256937.461	7327191.762	8150134.248	7123500.755	9593999.769	10409483.65	10141111.89	7379395.239	7366543.3	8062742.228	6922682.858	6635475.023	9202543.847	8493323.711	49840.30765	71694271.16	102492.9787	14332243.8	14068790.35	14490371.8	14750002.9	20678130.74	14404190.34	15434234.3	15496131.24	15602227.25	14625826.48	15280383.64	16188095.05	24525593.92	15607064.38	15730277.23	15688247.17	15207513.93	15071688.52	14975490.68	15120201.28	24186017.97	16180005.03	15357653.53	15928745.77	9437090.408	8627542.44	7915383.883	10043775.29	7674712.436	7959509.496	9692351.116	10087954.88	8818937.608	10572760.54	7010745.967	9253906.031	11484321.8	12027893.85	8567173.769	6273429.825	7825123.264	8894242.053	8799799.162	8794344.171	9054301.845	33149.2118	73827908.74	77071.01568
Methionine 104	3007.683684	86087967.42	23027.88703	55473067.26	55380925.04	53385456.77	52744600.85	66230839.11	54620637.17	57631825.14	63237982.01	53172671.28	54306279.48	53709196.66	54111072.75	67403112.63	53193893.27	62137356.14	66392231.27	53958527.61	55448191.83	54158253.48	55300684.94	67400102.85	55270906.41	56363290.48	65676744.13	92616067.31	85369178.15	81564565.75	85444319.16	90363756.84	75623132.93	1447965.438	91073648.73	87210745.51	84002379.1	85341092.42	83504636.03	72208931.12	1461819.422	83733213.33	85307296.57	79102669.15	82228176.61	80547536.57	61013090.82	1713121.864	2823.007129	84016111.06	20834.41482	51958340.78	51131971.02	53962460.03	53202842.72	65017602.61	52579953.16	51787603.38	52002565.63	53167039.42	50569856.37	50971408.56	52035907.21	66346339.01	53442393.68	53237093.16	52217764.84	51800717.82	50348201.49	50976533.83	52279512.72	64730433.26	51176245.96	51521531.64	51579722.74	87297553.08	79661815.14	79436686.63	79252448.53	83051327.51	84650808.58	91834592.82	80205129.83	77582164.96	79499353.46	72920503.22	79561670.03	84562992.91	91976896.78	76928552.22	81564892.69	83763553.53	75363842.83	76821017.44	83876772.84	87197036.84	7119.208836	84351290.64	17184.76404	50667442.63	48935104.74	50964455.95	51603338.06	66032015.39	50521102.61	50195234.01	51869059.37	50943173.74	50126903.8	52618813.55	52966740.78	67474747.2	52305718.66	52202441.62	51881207.04	50761254.65	51059745.68	49707067.32	49696785.03	66015081.44	52336894.04	50834530.87	52072354.23	83852570.95	82428123.54	81037329.65	84728604.54	79120078.09	83065134.72	80995330.65	81330801.78	83507817.2	80834112.48	77670452.63	85668252.68	88787193.87	90698398.52	83681986.58	80219905.59	80814151.74	78334162.84	80674528.42	83241019.71	83942870.25	4273.533633	82325040.04	11217.34134
Methionine 61	1420.163575	42491192.81	10879.7506	25675283.22	25524518.29	24665321.82	24397928.83	31652410.49	25388199.6	26418233.42	30591672.48	24260155.95	24963733.03	24658726.18	25316517.28	31835629.78	24902422.82	29265712.95	31604951.81	25071037.17	25604505.32	25325733.92	25826008.2	31862291	25978422.23	26639620.62	31470622.21	45393282.21	40391457.25	38831382.38	40955692.05	43859283.7	37387080.3	630572.3875	44970311.29	42725717.53	39454115.24	41723082.47	39674966.54	33562092.28	652045.8355	41032796.1	40784653.49	36917375.53	39121897.42	38954955.01	28491499.46	745098.4641	342.1171738	41296842.56	10229.38444	23917602.05	23965749.71	24451614.3	24871185.97	30135400.06	24412232.22	24240867.61	24163455.63	25044086.72	22752181.04	22557588.22	23837922.74	30372143.03	24747543.95	24088761.22	23965154.84	23400672.52	23417545.06	23261728.22	23658438.2	30415671.66	23787768.85	23999758.04	24088219.64	42141120.07	37773060.41	37653721.42	38165526.12	39235172	40387136.85	44967763.72	37589815.83	36416675.49	37544211.89	34812418.72	37629148.74	40702740.61	44887800.3	35863748.83	39229802.33	39785028.2	35729644.38	35898423.9	40565435.92	41552029.94	2041.980099	40663282.91	9074.613849	23203828.83	22296652.93	23662755.24	23486660.68	31213900.38	22845193.55	23604123.58	23712655.3	23630940.91	23736923.29	24212789.51	24296947.19	30805042.56	23930542.42	23733951.34	24243061.91	23582768.27	23737263.51	22639467.84	22071901.15	31123903.07	23753823.48	23527261.18	24215702.92	40289285.76	39938833.53	38408458.31	40242340.55	37428880.81	39509174.85	37674473.98	39329433.92	40694573.85	38161053.84	36272203.95	41709121.74	42500307.77	43973001.65	40621591.79	37428514.69	38784193.97	37112787.77	37797275.67	39238230.44	40236943.15	1777.280804	40923118.75	10222.00594
Histidine 110 POS	14979.14601	196145750.5	44052.41568	147819866.1	147083487	143704818.2	138755954.5	156020166.2	148676430.5	149664505.1	164591053.1	142803909.5	148252854.1	148638970	157861891.3	152173640.6	148937404.7	151564026.4	152412263.8	142372042.6	142978746.4	143027022.7	155856041.5	157309058.9	148989847.3	149133105.3	152690689.7	119492250.7	108217720.4	103575394.2	109569144	107069713.6	96413186.14	3288674.723	116155370.2	117113003.8	99778860.32	107124947.4	108168857	91959237.32	3110054.008	109805685.6	106287765.6	95405520.2	102331689	101796802.5	90065557.52	4310417.643	13416.19699	198342626.1	18924.66531	157458109	156598689.4	155931962.1	153298120.4	153346221.2	146467343	146365959	144860237.2	159179461	141808221.1	143118815.6	153621485.3	151878877.7	150129315.6	142466029	153993788.1	149092116.5	143408795.7	143235294.5	142485108.8	152935527.4	143881199.2	156612808.2	141976556.5	114055135.7	99264871.97	100639856.6	98554305.99	106536223.7	105577435	110169127	99383042.06	101735018.9	94033888.82	93919738.09	104968990.5	108966746.8	106113440.3	100159484.3	101916125.2	97314309.23	95316465.71	94347972.21	107662043.2	101251259	14571.98434	197391507.4	32588.40932	153090940.5	144503419.2	154069569.8	142738435.6	170476936.9	138169031.5	153616074.6	145419727.9	152583803.4	142074505.3	154323312	145037246.3	159692606.9	142380153.2	151313696.2	148852944.3	138223135.6	148650752.4	155069833.6	142345368.1	158233411.9	146832111.8	141127105.2	154865935.3	106214050.7	110803380.5	101503586.4	106907252.9	102177704.6	101409554.3	102005741.7	106282337.5	106926963.2	106723414.2	102566855.9	107528570.9	112152393.9	113451606.5	105361434.6	100012066.7	103072110.4	107052973.2	103213427.8	105217488.7	105066345.4	9923.078054	193982282.7	49296.02705
Histidine 83	3863.666941	75811278.29	13162.11864	49569866.52	48852912.56	46873570.84	44778672.36	51721167.64	45823002.59	48000097.76	50301809.53	47925752.53	44845049.12	46846412.97	48735311.73	52092315.77	44513102.43	51237471.87	50071015.78	46561851.68	47441744.04	46936889.09	49410861.46	55233773.39	48067250.25	50397335.79	52074678.07	34149492.68	31674000.24	28561664.47	33007309.79	30791728.74	27140535.45	811766.8329	33038254.25	31632531.18	28166181.47	29979223.18	30523873.66	24301926.23	786353.0036	31821887.85	29076000.08	27289088.49	27759972.47	29271141.15	23189215.83	1060682.392	5366.25709	74959166.36	10372.23282	46204902.59	48017827.13	46202542.26	46513797.66	52124001.74	48066400.83	49006318.42	47335960.52	50073171.08	44267346	44391528.33	50483852.45	53280637	46965984.1	47455169.34	46642191.87	46778274.53	46292302.03	46207226.21	45026346.35	51904696.5	45688401.22	46492284.42	44734042.39	31928553.3	28148934.15	26628490.28	27449243.23	29573816.44	30626356.02	30903814.57	27839859.35	27080106.69	26338503.34	25814452.28	28637224.22	28823236.29	29601579.84	27230196.12	28010862.91	27086246.04	25993407.82	25760245.37	28915947.86	28281924.17	4949.277083	75141180.87	5474.348616	48547402.67	47511564.41	46866025.01	46479839.36	51427015.52	43554516.26	48243345.47	48356415.29	45739678.41	46201493.67	47233865.26	43940113.33	53251197.66	47383198.63	45368477.62	45340041.13	43031474.57	46138402.48	44735070.2	46289618.72	53822974.13	46691013.03	45033058.39	46006964.4	29076563.23	30576186.73	28266354.01	29704303.8	28001908.83	26807828.87	28555901.13	28412777.54	29842036.11	29719784.87	27621750.71	30206262.85	31194353.74	32720634.79	29477069.4	27410753.61	28531439.96	28508409.12	29707164.86	28901343.77	27752490.07	2914.766879	75654498.88	5113.094155
Pyridoxine 152	18092.272	49125556.52	20224.6905	20402654.8	20741197.28	20146382.93	19264629.72	23350524.18	20220873.4	20200943.22	21747505.99	19940214.77	20315722.69	20091195.59	19810340.18	23984381.86	19992910.58	20772997.07	21736386.5	20164999.48	19797021.71	20216448.67	20143668.33	23847571.33	20659615.32	20323965.96	22359152.49	15013462.06	13777419.04	10616147.93	13403620.21	13765694.59	11734498.48	206351.386	14369988.36	14375151.65	10122642.74	12762016.6	13011887.79	9527716.849	237094.024	13092136.27	11416940.22	8436789.186	12012152.19	10603737.36	8130390.439	252977.2425	18267.613	49459472.45	19991.484	20791736.61	20658537.95	20582035.98	20391561.38	24225991.81	20838776.38	20854826.37	20561049.12	20662447.18	19589461.89	19096191.31	19359328.6	23658337.21	19476135.55	19822701.75	19743999.9	19279203.49	19529653.8	19658135.57	19146593.05	23926333.14	19534643	19442373.03	19915099.44	14547222.02	9203378.945	9877844.006	11318946.82	13193969.3	12136378.78	12173842.96	11873605.52	10328125.2	11160479.45	9570847.36	11902950.65	11808000.9	11244560.55	10616575.39	10598646.72	11100653.78	9600446.327	8962832.597	11484145.47	9789750.451	17526.1835	47343055.69	6740.2765	20350841.84	19545404.42	20484569.89	19746435.37	24308836.39	19315171.97	20275158.56	19769934.56	18704952.11	19585612.51	19831938.21	19523266.61	24311254.7	20131188.38	20170872.97	20260603.45	19626101	19842349.28	19325848.82	19726023.2	23729106.75	20305349.19	20318547.77	20656905.4	12695970.09	11954936.68	11218958.09	12819199.47	9951776.042	10379328.75	10558026.07	12305666.47	11665250.32	13316417.11	10582334.36	12240047.3	13475222.23	13022071.04	11561477.52	9617337.747	11148040.6	12029071.27	11762084.96	11789051.18	11327742.81	12685.054	50070088.78	9196.724
Pyridoxine 134	601.069	40201491.93	304.229	16562767.21	16464771.25	15812406.54	15607183.26	18817749.01	15619598.67	16010566.74	17403418.87	15992599.36	16307508.68	15786200.93	15889325.08	19164591.36	15629235.14	16915911.92	17779125.76	16054404.76	16025538.3	16138035.13	16180426.6	18932587.98	16444617.03	15404933.37	17485291.71	12022245.71	10926178.16	8483555.262	10547541.03	10935326.8	9353699.069	153613.424	11571359.76	11360650.63	8175467.127	10330617.34	10334980.81	7637667.454	188235.7975	10475911.04	9010537.163	6778112.571	9604735.138	8415342.292	6519818.688	202464.3675	503.3965	40490536.02	556.0255	16808039.78	16280779.27	16420294.7	16270193.75	18845718.37	16723661.8	16325029.35	16688363.73	16558307.03	15561136.33	15115976.35	15887490.94	19026532.05	16198706.35	16242967.21	15803574.62	15245184.77	15767324.03	15619604.97	15484000.96	18734781.74	16037706.53	15920326.61	15886683.34	11573667.23	7367058.086	7855658.925	9145433.911	10437676.52	9551433.541	9883559.863	9263010.391	8145577.953	8870759.233	7534377.909	9604129.827	9451768.627	8961625.4	8547019.663	8480972.783	8884007.954	7680260.639	7272995.693	9156479.697	7793568.118	978.921	40204345.99	501.8445	16207562.33	15890835.37	16145078.17	15895014.01	19701951.41	15657641.47	16275820.21	15860724.56	15505510.13	15870711.22	15748564.61	16117527.53	19384152.87	15768773.56	15835188.7	16084350.58	15856012.85	15804287.71	15620428.39	15620433.97	19731866.63	16336949.89	15378200.49	16225250.79	10021015.86	9532761.648	8940988.131	10217175.88	7896115.923	8254904.061	8473242.638	9781392.108	9422615.441	10722351.55	8458066.965	9667439.838	10734537.36	10465520.69	9253416.323	7557565.565	8867096.35	9453715.307	9371593.15	9361545.227	8947268.711	1313.762	40656151.05	859.8115
Citrulline 70	5206.178509	71727.50765	4643.712032	411803.4299	388513.744	346908.0497	364303.3252	356231.8092	411927.5295	407663.2679	750435.7886	433530.363	397135.3374	387179.8944	400959.0357	364609.2462	380032.8067	463839.9776	1120122.222	377915.6966	393668.8465	373390.1904	416626.5735	354128.8135	394960.8733	444923.2093	767954.1324	355436.7617	325611.868	351001.8725	372026.5162	374252.7928	387146.6471	39220.48471	401027.4745	371423.7303	353102.5721	401897.8005	335425.4435	416898.1819	66763.06614	319342.5714	326775.5859	307565.3673	390675.8001	335182.0335	467925.1845	195966.9506	862.816713	73435.37373	1254.562437	367333.79	334451.2817	367287.8386	366198.0348	347065.3886	380163.0008	388397.7188	414432.2189	399926.7391	371003.3553	373069.8634	358013.8569	365550.0409	380120.3801	345390.6474	351638.7907	352375.7421	397365.377	363806.6704	327779.9207	343534.0161	368517.7927	381372.5629	362656.7698	344375.6168	336457.3638	337407.7971	355684.4709	414662.954	427324.2678	506892.4038	322460.5858	324537.3398	329277.1911	288945.3354	361769.9687	423741.3441	556805.6058	339252.3155	325477.5955	403124.4454	282194.461	320797.9115	435047.5842	443051.8095	3699.37872	65051.54071	4444.624904	363388.371	405764.3631	354746.288	937924.2918	353126.252	332014.4637	354168.7545	411252.8275	355854.6174	354322.9654	388005.8145	374583.0825	347034.1957	376724.6708	344245.4917	368356.5684	381554.3692	361730.2572	339913.405	369538.198	351393.3583	362797.5988	368064.469	366143.0985	325306.6372	573878.8532	330324.1536	383204.8492	1609908.343	355971.4477	371198.9024	534967.8586	352640.6397	308591.2313	355381.773	412417.7135	411818.1885	437410.2413	319483.2798	306858.2469	308781.2616	318759.1787	355600.2223	336368.2548	375913.0625	6095.888193	61424.57136	1501.889022
Citrulline 113	651.7597178	2428.069097	1570.163612	13674.17145	12479.82618	13531.61873	13202.51345	13801.81688	10862.54812	12221.83952	25076.43116	13489.98801	11572.35021	11962.49882	14209.88937	11970.03889	12720.90822	13722.34726	39828.07531	13848.01075	11045.09818	15592.34685	15836.26917	14055.65182	12680.57093	14757.68083	25310.69035	11446.84593	10431.90377	11062.14949	13415.469	12386.97869	11095.65507	920.5046749	18045.01838	10819.31083	14675.37346	11766.51062	9940.142366	12180.36342	2471.773458	13089.02707	9860.806313	9679.461491	16556.31081	10385.97617	17366.44213	6038.575836	438.7477082	2954.080999	1148.221985	13977.96587	13657.34967	12770.99511	13934.20899	13674.71968	12308.59147	14153.08528	12696.91174	11263.01977	11973.05959	9998.920667	10442.42723	10711.49503	13173.41135	10699.76376	10985.00255	10444.06508	11740.05015	15161.83742	14718.14438	12537.85789	10723.54495	13968.31279	14697.81238	13102.19705	9767.742168	13586.11997	13554.78043	11478.89049	14271.56315	19370.40172	10648.33209	10479.97199	11916.53085	10817.55181	14131.29967	14492.24969	16756.58988	8125.719558	12698.13082	13595.96302	10078.59823	10904.76448	15430.93	14717.45487	1110.760892	874.4978622	379.7678634	12640.57907	13371.35703	14582.78646	32459.10851	9775.169035	13336.87488	14887.54444	14347.1572	17000.34731	14348.21685	12786.48796	12071.01318	13265.21461	11980.82452	13610.43305	14706.68848	12210.65813	13193.91324	11821.00843	11980.20914	12570.49612	14058.90582	12399.88581	12370.72594	11036.7072	17565.70179	9172.45935	13016.42888	56868.45319	14982.87527	12164.34728	17448.50673	10533.23458	10551.66196	11335.05642	14690.03152	14096.58169	13153.31509	13377.54157	11648.23558	10700.034	14842.20341	10062.84913	11224.82089	13329.8439	721.0328745	2453.171702	1293.112135
Tyrosine 136	6227.230884	107478103.9	9681.406636	52825354.68	51319602.34	50613974.35	43866939.03	61463174.58	50234770.16	49586355.41	61671977.36	24547919.99	46683424.74	51037859.83	46250733.96	62443221.13	46479672.16	58129787.1	62012788.05	49273419.82	47408766.13	47744694.34	50504713.93	62144680.8	49924488.32	50648745.85	58022909.92	76567330.94	72049364.87	68413437.56	70143890.77	81046977.03	64293871.11	1326092.417	82875566.61	78371067.92	70967863.94	75569887.46	76861903.66	59743388.36	1468530.017	77750405.6	70912257.5	72571033.52	68678516.06	72466637.61	47799572.99	1717055.055	4665.589466	102809084.8	4050.126703	50322651.9	49821029.61	51779981.01	49877170.87	60264032.5	46385984.65	50590754.83	48950435.02	49560585	48801919.47	46086150.58	48534683.88	58978086.39	48968465.73	49092791.78	47966854.51	47549019.42	46884415.47	49585347.31	48799876	57883297.41	46929574.09	47041724.42	49473698.13	74591692.95	73976940.7	64037171.8	65706250.81	70604243.22	75657228.99	82754696.7	69541535.83	68990684.56	69332268.2	63872695.53	71066612.25	78807184.84	84662307.98	65743846.67	69512731.93	74333046.12	66389247.25	69385224.93	75442551.73	74565343.46	2231.595566	101911206.2	5517.111127	47163131.09	48695200.16	46504465.7	47452452.63	60840800.38	48355076.44	46197541.74	46553488.49	50888918.91	49622314.54	46685274.4	49987827.92	59106990.32	49298569.82	48116869.02	48219507.13	49311798.27	48593730.26	44262419.3	46100896.46	61601225.87	50445923.79	44769318.9	46839533.43	68445286.88	76486919.1	73052790.67	72962078.64	68293673.86	70110761.07	71684960.8	74730754.42	78199381.58	74941210.46	70791483.29	79930724.06	82501679.78	85601751.16	77970381.79	68943620.22	75745752.21	73539194.64	73201046.04	75777986.37	73175238.44	7106.95875	107711949.6	8002.612556
Tyrosine 123	1920.513348	93296079.42	3547.534711	43674412.7	42797993.35	40066994.79	38154333.42	50019781.27	44179403.17	41564004.39	49480154.21	39777254.32	41255111.61	41668597.65	39987956.02	50756692.24	37640236.69	47135477	51763917.7	21543798.97	39358076.06	42698299.35	40813133.84	52516380.53	42926018	42928855.13	50030061.87	64847795.21	57573843.7	58369430.85	59990007.31	68741348.53	57208978.93	1079685.607	73038042.69	65164651.61	63057262.76	63017905.46	65074871.19	49749634.97	1119136.211	63578643.62	65111297.35	62389970.23	61127408.75	62218223.29	42660669.42	1353041.155	1701.007075	88701336.54	2723.010073	41421766.85	38153951.42	42413757.12	39840194.78	49746454.18	40558860.95	40879824.22	42661938.43	40296637.31	38746390.12	39837057.33	40724292.66	49551697.91	39814512.3	39864411.96	39733771.06	38850836.52	40910708.85	40891141.29	37832183.99	47034017.28	36637659.09	40502093.31	39250133.99	59692340.8	60711080.6	54369787.75	56917870.25	61981771.85	63634058.2	73140403.33	58698096.01	57014703.08	56427983.87	53977473.68	58957297.53	64209820.68	65765513.77	53006054.46	58862447.75	64466277.73	56325153.12	53778994.15	61252465.6	62599835.04	1874.382616	90381020.53	2972.866123	39391581.19	39990883.16	36295701.09	40576710.46	50610260.87	38658520.87	37510807.25	40472062.61	40112486.19	39476841.15	39010385.89	41225378.7	49630315.74	36924638.63	41112825.3	39317252.16	37993764.21	38411632.82	39455167.05	37099913.87	48918930.19	40065079.33	39278985.61	37537662.1	60979801.04	59449090.55	60568337.58	61352538.76	59360252.54	60695575.72	56214443.18	63364086.71	67792305.77	59325447.28	55915652.28	71695737.86	71533877.32	68895103.45	66381207.34	59163792.55	62171319.89	60978403.64	61484123.09	60273368.5	61478004.26	3907.486636	90636390.31	7537.306372
O-Acetyl-L-carnitine 85	1844.284602	1114.198563	709.4610007	628262.7666	665706.0233	694363.8634	641618.7116	94075.80875	670062.9043	801185.0647	470705.6299	655272.0619	619441.1921	580179.9653	621455.7402	95797.99535	688110.8945	767901.9751	453235.1925	600260.7647	583576.6957	641796.098	626374.3461	105041.2057	667197.5659	719330.4293	474330.9938	36282209.93	33588756.25	36138997.16	35138215.31	35600874.38	29465891.45	25967.70003	39496599.18	36373175.34	39504738.92	36133656.11	32254712.84	29562491.06	55151.85854	36386390.48	37597842.8	36790492.9	33992264.55	33937448.35	25817674.57	37131.94542	1841.480217	1729.410024	2026.816195	641081.1605	609793.2293	613257.2114	635143.1577	89891.03624	662282.6577	706855.8902	2616977.416	574017.6387	575962.9742	573473.4872	569490.6524	106692.5368	616689.8759	662670.6984	625034.2173	579422.1298	566323.9553	597836.7309	575951.8704	104156.7211	650487.3794	647959.5018	597135.5039	35495473.24	37616463.68	37452318.53	37296963.73	36942151.79	39969410.86	51563504.18	34271695.69	35781446.9	36026616.51	35136284.15	35876364.76	41479069.07	53522038.02	32508427.16	37887417.61	40740587.54	35501208.47	37112067.24	42620692.38	52601897.09	1110.945507	1504.435068	2049.303873	623818.6418	608753.622	567161.5609	582267.709	89188.3325	669753.0973	706773.9556	782673.2362	614227.2076	614882.9919	572615.3149	589077.222	92207.32043	634867.6238	645151.6855	765355.1004	570567.8624	571998.9485	611769.9988	634153.6133	105865.8863	641377.4177	630564.8342	669580.947	32008697.48	35104259.21	35102122.9	37070787.81	39114016.17	43800248.26	50603694.49	33180264.76	35690200	32539415.29	34585451.3	42531537.15	42688946.68	57462033.55	36053337.96	35726220.93	35414144.05	33030708.62	37365221.14	41294856	53192432.73	1497.073879	960.7362904	1428.24742
O-Acetyl-L-carnitine 145	174.0238084		105.724284	14780.52757	16630.4501	18097.04109	15912.20042	4368.808922	16586.11062	17774.08517	8336.005646	15234.61223	15467.71741	14307.03646	17087.21715	3305.196512	17610.11871	17787.32565	10895.8369	11463.26087	15150.44137	16977.99974	15579.28506	4386.228967	17246.42914	12895.4959	5873.7842	715804.3054	669656.4529	738313.1328	697448.2706	704722.6404	588730.1191	3027.520168	817790.1299	719456.097	791342.71	726811.1658	648284.4914	569839.5655	3834.902604	714008.6028	736987.7451	734838.9571	680643.0118	705770.6075	501048.2757	3167.791982	25.4047497		102.9970245	11449.77025	13287.87079	12138.78201	16943.02463	4164.183173	16674.20979	15236.38417	58794.28479	14575.63219	15134.39578	17400.86896	14681.56189	1610.785168	12379.97025	16996.66022	16248.07682	14292.99892	12480.98546	13286.04229	12793.98504	3501.671916	18584.63	16807.81028	15331.90548	714913.4701	730338.0657	757977.6599	737208.6039	752292.8874	790795.1511	1017646.24	665270.4383	699391.8189	693095.2758	689674.9498	708662.1388	832396.8029	1037126.973	635928.8298	747920.626	772683.8356	702662.8636	739702.0446	813592.6036	1057915.129	106.9110379		371.1317175	12244.85069	9837.86003	14212.17171	13985.61181	1197.980733	17500.27673	16019.05285	16839.87222	15610.08981	15133.08183	14131.65798	12610.07724	1682.108922	13671.90729	13555.58727	16733.6455	13776.70254	14419.77796	14093.71094	12205.3489	3264.088817	12410.80091	14444.34092	11963.52016	627785.9815	679416.1673	709515.4649	711618.9276	763597.6223	879300.0375	970352.7511	644274.1659	716147.9014	650895.0452	691979.7573	842031.3584	843594.4207	1159733.964	687205.8862	689357.6888	705134.9967	606185.7137	740409.3399	787149.3109	1052288.775			
Tryptophan 146	2145.049671	48907287.54	2384.391536	18289806.05	17482222.18	16725594.5	16082533.39	23867381.71	17859751.67	19777401.69	23505493.54	16744418.31	17651182.39	17175615.08	17125439.15	24605836.22	16952451.9	22043170.41	23670431.11	17352128.35	17619787.97	17779932.92	17646960.46	24575473.13	17991344.31	18952524.07	22775674	41220268.34	36412526.73	33851955.21	37153209.27	38481642.04	33556243.34	494790.3857	42116017.57	38875148.48	34871089.8	36225455.27	37546320.31	29781462.41	508987.2118	38619193.72	37515816	32963654.67	34601422	32607942.99	25685605.27	636499.4546	1551.764108	46409033.97	2599.636757	16861031.12	16572858.18	17161634.63	16457361.43	23803126.97	16965793.11	16947866.3	16490351.12	17632967.36	15578375.03	15974414.48	17023188.51	24441364.02	17585901.66	16257602.24	16580324.66	16335934.91	16514253.8	15923225.15	16307471.42	24243719.84	16159535.95	16435045.71	16098716.96	37891835.1	31826661.44	31626171.3	34239933.91	34055732.86	34313403.59	37163674.02	33086130.96	32556134.38	32134547.94	30636307.69	32261970.42	33356638	36851235.91	32082223.74	32834035.23	35281896.98	29986629.69	29242493.48	33985805.72	33260706.31	1854.197498	49217026.86	1476.361829	16510628.34	15643865.76	16011361.27	16970268.77	24610942.56	15353385.27	15295429.06	16429991.37	16772671.08	16321815.8	17086049.99	17642745.43	24987190.56	16319684.33	16571505.47	16189063.24	16440406.09	16649303.68	15290710.6	15391411.96	24805104.39	16572916.2	16787256.52	16770572.92	38300753.33	38134486.9	34836963.31	37078158.63	34471583.77	33322033.97	33203921.71	38110841.79	39233140.7	38226845.87	33712363.71	37573505.13	38811217.54	40202893.68	39148694.64	35891373.8	35629026.93	35384483.04	34972217.33	35019016.35	34451264.83	2301.743406	46867639.96	2276.849934
Tryptophan 118	141.1282389	17236637.27	190.6981147	6270713.089	5942966.305	5820708.312	5526193.906	8543301.818	6209788.331	6676014.603	8044992.166	5655210.641	5868642.911	6012306.924	5937821.93	8323569.163	5709955.036	7492362.857	8226216.737	5961741.798	6074398.479	5953857.567	6058395.389	8491663.636	6261634.108	6422821.489	8063697.644	14530943.1	12760985.63	11530357.2	12617510.92	13101551.07	11229041.96	164682.453	14580002.88	13295643.29	12187548.66	12637263.99	12442604.11	10271554.1	167943.7914	13200377.74	12843257.04	11351138.71	11754299.7	11599374.1	8896409.41	209014.5011	129.4451925	16754502		5792785.889	5555440.867	5850480.816	5854966.551	8234690.749	5877946.988	5561343.208	5643072.186	5923451.009	5404510.121	5559729.992	5805395.515	8438431.66	5804948.334	5718101.781	5574662.909	5550354.647	5586026.505	5533165.398	5602090.058	8194051.255	5647503.716	5719209.996	5562155.965	12972735.73	11097849.49	10799976.07	11016362.82	11380358.06	11937510.82	12658059.97	11851964.39	11419067.57	11061268.14	10161558.69	10759363.45	11669573.82	12656852.49	11309175.75	11843715.84	12058785.71	10392343.67	10079492.38	11565328.99	11492652.05	152.2588754	16713683.61	331.4158756	5687207.368	5181997.83	5436618.318	5613553.363	8371283.421	5372912.711	5488088.581	5674519.658	5639263.588	5419609.237	5699395.573	5873877.883	8564135.416	5633822.839	5644233.435	5694168.783	5656216.464	5482091.946	5237874.634	5175077.475	8507391.368	5634415.681	5446610.286	5699122.476	13393201.24	13271680.16	12350467.04	12698743.13	12000673.51	11577896	11468152.8	13599814.76	13515874.49	13325665.09	11530828.44	13051112.35	12869344.84	13849701.22	13555080.25	12124083.67	11969147.84	12140484.36	11922364.28	11866866.82	11935840.33	230.3748551	16612462.34	292.5193005
Pantothenic 202	17672.3025	13136361.48	17549.54932	1686168.073	1730384.238	1634635.832	1721095.741	1689703.247	1632369.797	1542515.112	1756007.833	1680652.314	1735869.655	1843291.415	1631899.389	1764353.51	1709352.605	1741192.956	1732551.169	1697330.745	1630537.161	1645481.898	1597410.78	1742640.114	1548056.256	1646478.724	1644898.137	7686533.559	7899628.18	8607649.344	7596438.377	7929288.391	7352826.824	601161.3165	8480909.33	8069309.699	8838768.597	8181208.857	7293812.273	7018361.716	612612.0226	8244063.385	8397684.058	8120524.342	7717053.901	7894423.565	5590767.408	406228.9828	16598.381	13014285.89	11404.23406	1794526.033	1616018.118	1771243.459	1744356.072	1777193.917	1621249.404	1509191.692	1303840.795	1699937.483	1712575.863	1657974.012	1565216.953	1824382.244	1588651.692	1474425.666	1271605.695	1531712.308	1649797.227	1638293.363	1634054.668	1797825.957	1655214.172	1386263.261	1282769.06	7864655.278	8692696.326	8998198.984	8535220.431	8071153.457	7695739.484	6606178.076	8190729.418	8432671.548	8385422.169	8566608.495	7769277.35	7487827.14	6463968.93	8120288.557	9009058.357	8914143.707	8566576.207	7641951.098	7880956.981	7052945.42	10988.068	12608293.34	14642.707	1739883.269	1659482.222	1671594.488	1703601.541	1817176.787	1583687.503	1543893.279	1272849.696	1656775.261	1685699.921	1625802.442	1567276.181	1889572.726	1598236.859	1527505.565	1309024.935	1685019.983	1640857.666	1613100.731	1621776.652	1819207.284	1405449.253	1416369.614	1370728.03	7683553.475	8393654.765	8612438.554	8427926.39	7670823.77	7903748.14	8262462.369	8401016.13	8411535.255	8091553.913	8138213.16	8477766.856	7419565.795	8467545.669	8303538.514	8543010.526	8434155.396	7689844.003	7951679.71	7409872.394	8551388.997	13421.71012	12981148.39	15772.582
Cerulenin 207	39072.58326	927845.9772	27241.92125	75432.71302	89969.51267	77330.93635	79366.00576	61509.34442	42587.15602	83095.6121	220766.9672	88093.88182	61819.03578	48042.66317	65232.40166	83790.53043	61899.46863	57069.4215	218806.4075	69347.69272	81876.50074	77783.96457	45787.75673	66828.42824	57885.59996	54758.63635	235643.3558	212801.6353	240729.2673	271741.4752	187677.9803	279037.6329	228406.3045	175452.7105	213260.0382	230971.4641	199431.8011	257457.3523	266477.1757	247813.7638	242089.244	181259.6879	306235.2763	225547.3156	334975.4231	180017.1305	227378.9082	199406.4817	37741.75667	916768.1082	58743.56311	41765.16696	43798.85832	57124.08292	79442.12827	47971.921	45017.04272	33906.79896	43131.27544	38343.54219	60944.68382	41811.94546	74236.62222	77173.69067	52367.03611	53595.67836	91699.17435	38579.38709	57806.36933	51040.33876	35991.61369	72409.98425	67851.00053	30265.32422	55121.65666	182753.214	167818.1117	227209.5249	204598.5123	179634.4255	128318.507	206618.9644	172745.8669	191442.9022	275612.21	164040.2765	147145.9601	159865.8908	171810.1819	204597.504	155127.9934	248842.6795	160570.1823	199111.9511	199523.1889	217063.2678	78070.57903	960976.0465	69667.30024	35568.99048	52772.10596	60144.8968	67466.2576	67900.0472	61092.05039	62063.40715	57800.42377	69577.29665	38959.40163	50926.57448	73492.82432	90903.27359	70587.35747	60394.37759	74527.22016	59103.31177	61059.45336	40164.54894	49217.92422	80650.6564	39258.33052	35120.06073	50404.78263	155623.5164	215760.5714	174701.1835	252510.3406	211984.5299	195252.9604	214199.2941	154024.6345	215813.4763	219314.8971	213529.1307	221965.1798	182500.4036	140421.5655	210060.0507	197421.4466	335110.4576	227916.2355	271901.1304	143050.7625	243326.3655	186653.058	973039.8805	230474.619
Cerulenin 89	270070.5724	89774.44119	274406.8103	693903.6852	700009.1274	625097.8977	615669.5518	341323.1484	264823.8391	361933.7898	237755.283	684240.2949	512647.8071	396326.5819	554576.8726	700576.532	446243.8218	323113.1916	307225.231	575320.6534	768148.9055	614027.8127	299741.5324	548508.6017	306909.0932	291738.7939	536436.282	1990025.964	2414233.257	2210686.999	1458173.117	2207469.709	1743524.552	1992399.475	2028303.414	2084457.163	1744418.062	2241876.402	2341920.789	2007208.418	2729893.214	1522498.804	2835350.63	2175161.917	2982740.087	1598709.7	1522981.617	2396860.928	294899.5622	88270.6898	273704.3151	322326.5856	389960.9145	434153.836	468098.9615	339825.7659	387381.2318	191369.1879	261418.6848	262731.009	410232.2343	320282.6071	639251.6394	704099.4465	416425.4113	441091.0691	667710.7305	285848.0821	387646.9663	385852.0651	198573.934	566826.9929	555080.1945	238678.6384	466587.8234	1747462.61	1596304.083	1921157.318	1947608.189	1372454.856	1110053.812	1970385.574	1438574.989	1639791.169	2500110.162	1470966.882	1193633.135	1393889.199	1530460.155	1897516.892	1352189.933	2086305.385	1461410.676	1815492.666	1790917.547	2207723.006	266415.5763	90083.50043	301893.9396	269662.3244	262705.0636	443314.0734	460957.8851	355263.8421	406265.4562	449674.5259	302395.4377	509198.2239	313028.6612	335912.1844	591252.1111	713200.9114	557602.9586	359703.2758	605930.402	355343.346	269720.0205	336408.0681	288892.1792	573843.7938	271726.2776	243496.516	426660.4453	1503198.281	1758609.996	1453453.257	2303091.347	1970355.031	1760300.528	1993389.736	1256624.137	1965465.625	1845618.273	2040554.852	1919306.405	1782320.266	1230855.047	1738346.016	1874636.216	2850714.157	1769956.421	2254723.589	1188884.688	2414766.459	280797.9595	90081.19279	310107.409
Biotin 227	23171.68731	155505.0795	26314.3927	5937254.449	6063632.021	5701399.541	5580282.402	5586194.049	5803641.133	5706267.846	5789187.955	5738291.886	5847573.258	5610682.794	5636136.034	5678307.218	5711186.158	6022204.577	5752197.678	5638943.628	5686053.528	5677303.461	5902986.23	5664697.011	5929545.195	5695875.523	5671368.622	12058079.04	11996807.03	12272859.43	11953736.79	12082512.64	10602087.8	53693.6	12784375.58	12596431.14	12970999.66	12854836.29	11736673.84	9896727.608	54427.627	12126702.05	11698452.49	11320619.6	12221997.89	11610198.46	8100615.663	64304.171	52896.458	126308.3939	44008.7255	6008704.027	5990612.145	5717153.408	5861790.128	5564291.847	5724604.382	5764978.826	5788493.604	5856670.102	5497575.144	5487255.707	5730803.003	5721862.587	5870882.542	5787483.472	5496858.466	5750664.486	5601032.183	5625408.418	5391085.588	5779666.865	5734302.458	5622060.422	5513034.451	11657840.19	11677518.07	11637117.37	11878797.11	12433982.38	13524687.59	16190915.12	11616689.8	11434387.94	11794174.92	11099101.11	12109793.21	13131927.82	16474474.16	11232725.2	12448872.64	12457652.44	11383982.2	11204311.82	14653758.24	15483727.42	58676.7645	142489.1704	57438.565	5855132.446	5697152.064	5627187.01	5697413.004	5851838.116	5527918.968	5756578.467	5527456.72	5709439.12	5556668.461	5738046.811	5765682.066	5700550.516	5659158.069	5534245.759	5310722.865	5501107.271	5607914.027	5656689.177	5704230.835	5539852.709	5564490.355	5378104.238	5276678.262	11954458.82	12263558.64	12647187.14	12669545.31	11618974.14	13512841.6	16769736.4	12860683.45	12533821.98	11814454.1	11525554.89	13491642.96	13757757.88	19202903.69	12938423.54	12327072.55	12463709.55	11325242.23	12916632.79	13231910.77	17932742.71	64007.206	138660.643	38443.59915
Thiamine 122	482.820489		4837.242474																				7253625.889				35491.27243							1052.628547							149296.0375							180589.7604	546.4195221		2822.817941										7604454.413												106382.9859													12383416.51							20822124.68				243.2684322		3066.030718	6025236.223		9280927.074		8064408.057							9432306.448				7192067.567					38768.91848	9835461.725			11657116.13	24991138.87	23590158.5	23721806.81	21304672.98	22151775.49	20978713.59	25166381.07	25853988.23	23809790.21	22332514.76	14133398.14	15226297.64	25143876.06	25703106.71	12623962.78	23254705.88	22479484.02	22469130	12139910.8	11299719.9	570.8348248	40867375.68	5147.077245
Penicillin G 289 POS	2154.7945	1411.3505	1975.69	76888009.94	77573389.83	75201195.32	75565704.4	88719188.35	76074655.77	75379881.82	73987806.08	78249640.38	74868310.02	76366903.59	75909793.45	89415613.77	70190341.82	74748895.05	75209489.71	74711994.25	75091824.59	75383308.78	77669722.83	88723495.18	76141983.35	76106236.94	74625040.33	40085305.01	37016052.44	25643538.25	35017370.29	35417154.07	31318232.05	1326440.973	37698268.58	37666300.15	24193741.34	33721654.94	33960126.89	24084844.14	1387639.751	34566152.04	30061783.76	19659698.45	32176978.67	26782850.53	21775909.49	1539480.697	1270.4845	1653.8295	2839.1445	74001005.92	76264133.68	73248988.43	75088805.35	85010263.84	75162879.17	73782429.25	74150205.3	73078796.65	67138145.7	69944685.17	71989022.54	84691121.97	77638171.87	71884265.53	74132515.56	73089750.56	74639854.27	73577239.64	73344255.95	87707936.95	73853602.22	73420343.64	72988983.14	38795510.66	19971244.93	23216416.93	28967042.54	35250049.61	31781897.01	30990765.59	31553463.98	26014103.31	28745315.3	22665358.66	30788170.73	30725476.99	28110411.21	29915032.01	26547154.15	27291838.46	23931059.25	21052335.04	27977530.12	22016660.74	2093.7455	1864.471	2257.6775	75495971.54	74250333.2	73477702.41	72098504.87	85328189.95	70421469.13	71936058.31	73484037.91	71644478.1	71630786.09	72267194.99	70133270.04	81769266.06	72089213.37	72085121.47	71622758.11	70858564.13	70305672.29	70312763.19	73943524.98	81685685.27	71532560.37	69680894.81	69276884.05	33453405.68	31759006.77	28073944.08	33814696.19	24886472.84	25705035.79	27341885.48	32621930.11	29892191.83	34924431.94	27600115.15	30775848.49	34799111.41	31326855.7	30132666.98	21761102.86	28444823.8	32080010.78	31139122.39	30794372.82	27113255.67	3147.194	1197.4455	2261.7
Fasnall 218	1147.465771	1493.367253	1171.188073	1631.166338	653.1299331	1452.946233	2127.013093	716.4303591	1086.162518	1215.301632	1539.413197	568.1984536	649.5567101	807.0582993	793.5671837	1249.629262	1655.460988	1672.086583	911.3771748	826.6090711	721.8084103	1283.49894	1094.58923	862.0676112	1852.584576	2379.423397	477.4719667	1827.817279	2244.0734	1160.350872	904.8605534	1488.776965	657.9553382	732.9451778	1598.444372	1143.008782	448.8148329	1374.735739	754.2605404	1298.77278	1454.195987	1823.502046	1338.595754	623.7635566	1879.694526	2715.380658	256.7684275	275.6182762	1326.119016	1271.317485	783.6814617	1081.185518	547.0875584	1913.581647	1371.130565	722.1990789	521.1960368	1639.031188	881.8320144	1669.850079	860.5603759	1505.876804	348.4500924	959.0106835	596.9350053	1003.695312	528.1223117	565.9750423	903.4868961	1005.193499	859.1503234	1534.053493	1071.298677	1812.70212	1604.916032	992.6120931	896.3882482	2429.783912	1089.474498	2202.450885	1462.887171	1797.927075	2451.520877	1306.352354	985.4753889	1741.947598	2501.733505	1543.820056	1756.060821	564.9479265	1106.545999	1604.497078	878.5514915	1716.576923	1808.207622	1423.633801	783.6720653	1754.636898	1110.076051	720.8102153	635.4759303	921.4573455	948.1296925	690.3789914	1638.790535	1928.335088	1821.11622	527.3985375	1550.150034	979.0544846	2161.090171	822.7243212	676.4256751	720.4913005	1023.063558	1756.919431	1258.320563	1550.62349	1219.695436	1376.994907	1130.319704	912.6745736	814.5030014	1333.549856	1312.256929	2378.191922	795.1389556	543.4667569	747.5290943	928.0858927	2179.161443	1951.879299	1288.357019	1931.411094	1958.552732	1014.821734	929.3102653	1261.325273	1162.965571	1013.899553	1220.469512	1478.178226	1042.783728	1498.743968	886.4577903	806.68708	1399.79487
TVB-3166 116	956.0394494	306.276394	1316.664571	841.3862895	1188.968139	2030.370713	5744.078957	439.2783185	5563.393391	17692.20652	5697.114547	2763.417984	1004.565485	2078.418932	3393.212153	825.3200754	9892.523371	31293.63663	13264.15204	1270.807517	2264.223239	5330.032584	3650.142746	930.5310447	3263.227159	18158.48967	9596.297573	10708.8122	11967.07153	9671.750029	12958.31258	15380.25847	24762.97064	7494.643657	12844.91111	11352.65971	10657.52306	13043.35575	14236.07632	21448.57258	12763.25851	12747.39521	12919.46004	15059.75474	14804.86672	14454.62607	26631.00206	12291.39571	669.0133165	669.4956419	1304.642566	1663.36517	2356.60496	972.7880424	1389.905868	1189.217038	673.3212468	691.0661504	2978.728562	649.8442427	752.3087084	839.6985884	1014.091174	1189.962323	1619.155868	1852.789325	4236.375954	1135.183834	2032.665666	906.1723441	1335.59073	873.7483089	1725.432426	926.9692003	1544.680449	10884.55386	10704.82194	9847.347134	11854.31809	9821.285954	10227.76946	12286.37094	10546.57905	10396.05232	7786.277638	9069.327391	7883.418913	12422.7369	10887.39601	7991.504299	9815.432331	11803.61016	9691.889591	11594.52846	12766.85971	8686.988587	1612.253563	488.7794654	1568.26427	867.3633748	6552.790141	188999.0751	427720.5992	1728.847202	1963902.278	4833320.582	46464654.41	1965.958929	5592.612335	187428.2292	468287.48	1795.157761	1964170.929	5109208.489	46426110.81	4521.132201	5250.885814	172890.1934	425372.797	1077.409197	1969161.149	4935482.006	47083245.03	12628.16074	119420.2125	2765410.118	6742068.581	20806924.23	46270426.76	237809303.8	11187.84336	173466.599	2821369.652	5907427.086	23933746.45	48797989.92	250493850.9	14838.76229	157105.7149	2785348.216	6154308.431	22099141.64	45414742.65	239968222.1	4297.257511	704.4550506	1480.493739
TVB-3166 342			25.24318126		55.7755125		122.4413417		94.96207761	281.5452254	167.7092195			25.10805694	80.32304765		201.0720059	279.1712195	56.90325238	100.167122	38.26222648	183.4574604	54.11004945		81.78531439	142.3787735	173.3549478	415.9801058	498.6276721	575.7862218	667.0554234	488.6037468	238.3501799	750.4478724	344.1018217	766.6446558	631.9004122	663.5948336	555.6118251	602.0504681	431.6572559	550.7257266	530.1743505	489.3767331	282.5657476	455.0539417	526.6061471	729.9932608				80.40584733	20.51012005					20.02799342	85.04858909			20.97257454					14.91590619		30.418339						17.94729453	307.2540399	630.2959966	562.9220883	573.9923676	528.3352363	748.7713309	826.879969	382.7260305	583.0293068	533.1380602	486.0818624	403.0494417	591.7213704	527.7013741	523.8803819	426.7392347	715.7554918	774.054333	829.8821744	698.722202	492.0189658	10.49341891			20.51080501	367.8193889	7635.460476	21807.0742		96862.97916	231889.7382	2323956.575	85.18158834	169.5647033	8533.010943	11673.05901		94207.05212	242865.1376	2275608.886	136.0649363	305.8979466	6382.176633	13118.94404		58274.51181	239102.5324	2292295.8	449.9793211	6192.763258	125947.9136	323884.2521	1008197.607	2261969.016	18826459.48	664.2327264	5250.057211	134061.0127	287783.9227	1155235.466	2450070.101	21031249.45	1062.607455	7291.448418	129980.9969	295983.8038	1082777.36	2211242.316	18552097.25	225.1203385		9.712104191
Acyl-L-carnitine (18:2) 85	480.5468573	597.5047429	426.4582037	3639.370288	1680.916182	3733.543147	1912.792667	10910.49999	3633.844477	3614.403399	2752.045199	1453.336393	1377.691609	2608.815025	1767.82396	5202.815657	970.8484327	2577.033537	2128.967245	2716.227841	1346.679038	2377.105059	2748.944119	5025.744963	1425.027368	2803.278785	3679.223516	39049.33224	34006.81848	34587.6567	17833.03327	34518.22365	17968.40713	7992.865932	33991.65929	33799.21521	31155.8178	29963.83583	29680.48149	27269.79958	16429.09847	34918.41097	36906.08886	37887.70278	60499.04398	32049.3363	36413.53551	12677.69198	199.338379	422.3095412	483.808815	1395.773508	2759.723775	3653.328235	1767.819912	8159.257965	2132.619027	2747.681687	1685.193905	1512.82909	1028.804827	3877.538338	1143.646393	4473.248691	6875.278007	1192.111437	1715.41046	2877.545424	2848.832611	1054.431937	1351.151211	5392.013694	2019.323134	1819.506741	4113.019241	28234.7141	34855.17295	30756.13994	46372.31091	13250.38577	13178.54271	21826.5259	31898.63557	29745.45078	31505.94563	16883.04162	19791.99474	23894.17453	18926.10996	33259.15082	34017.93557	51862.30403	36475.31826	25383.64133	16486.99048	13011.63024	347.323448	421.3125327	443.795254	1303.496452	2594.687571	2063.880147	7814.106113	3007.329624	1533.101503	1968.046945	5875.803486	2322.390193	2603.125227	1592.218273	1228.851892	5141.007418	1465.200988	3440.191904	3533.42363	1207.988954	1837.03627	2666.935277	1688.962802	6191.21941	1395.474478	2047.179134	2150.8571	42646.35032	88779.68788	37725.21569	33372.26272	19958.78217	22584.11634	7960.239201	44511.67011	36645.95134	33263.99633	32512.06261	14000.00844	15879.3619	24139.42463	46858.61579	39980.20347	37372.28672	28518.84554	16603.93413	16036.97929	13750.66759	458.4968895	487.2499498	413.6000162
GSK2194069 344	221.3364787	108.881761	351.185798	157.1135546	178.2981706	506.0897413	231.0018097	251.57839	241.7120238	304.9291567	83.22944154	576.0616557	193.7532097	247.7823329	254.548308	266.7111224	232.4776102	87.08299702	344.8989644	324.0992015	282.7909936	374.4916507	117.2146793	272.2474238	277.8022929	296.4957794	429.5031869	430.9608891	154.3459919	409.1696717	163.0253442	284.7076244	195.0093372	361.2667877	545.9082614	162.147803	324.7600337	277.2095297	319.7627823	159.1293369	308.9971078	159.6941608	281.0517211	202.8894936	298.8014326	315.9270317	219.4506219	410.0954871	134.8266138	192.7805092	203.598319	110.2943331	219.328487	371.8155414	487.1929223	224.5494208	297.2467184	272.7428674	122.7533478	145.618152	309.3663668	406.9164136	204.0391552	127.6175164	272.0345784	240.0288661	272.7690812	185.9360656	149.2141458	246.8994156	271.8386811	271.7290686	249.6686583	273.9044287	203.9882397	200.0471064	233.8396531	148.9180441	207.7753639	377.5466053	163.9779129	225.5780253	340.303705	122.105741	347.0796226	219.4944613	128.0419959	235.1793076	311.360352	486.6665507	177.1967249	180.2207973	338.3137963	247.6829444	231.9600412	151.372415	130.5715279	180.7173403	185.6957638	235.9671993	154.2979141	350.8314798	202.2446984	113.4624714	215.8427911	212.917687	339.1618387	191.3591896	148.7235781	120.1785748	240.0670568	116.5773988	114.4140146	233.6261866	165.7798377	135.8276615	161.2961983	275.6909712	207.6896573	118.3247904	250.8225559	117.8714059	112.0505891	194.9690072	400.3245451	222.5962569	381.0893588	117.3485903	193.541378	262.6811488	199.6419925	251.2404765	258.0082651	167.1290544	326.3462582	406.4816683	157.9469758	525.692751	245.5907625	327.8015587	300.4353217	278.9736609	168.6183338	350.2612302	164.0510207	153.2418891	145.7784601
VY-3-135 412	5570.807711	8988.8957	5264.611046	21315.21213	12652.49899	11181.34456	7704.497415	62324.84845	7589.372563	19451.62713	13835.77724	12065.7133	4253.737403	67583.51991	8421.556319	16523.53097	8172.482447	9064.370055	15324.7132	12536.32441	9511.524315	5741.802808	22059.4166	6785.330592	14266.60959	25296.25626	10213.06264	123787.0969	93439.07996	38680.712	516631.3275	67654.111	34671.52553	99267.87175	25766.84426	51095.10842	46809.26667	37064.68572	50582.88208	28099.10506	65726.30963	85264.63198	34328.6359	15042.92387	58448.04695	21958.52545	1004681.409	42745.86654	2333.051889	2766.278075	2846.597098	8875.375892	123189.895	8943.491775	6001.343607	58971.63967	3262.391155	6273.351658	15036.27745	9509.212766	16626.45583	10977.65276	4696.469165	14603.45641	15606.18539	24842.97809	8140.1632	11646.62174	12672.95138	5607.841553	7139.895938	8317.084752	28790.70502	8760.982871	10646.97791	17241.82327	19072.85754	41395.50197	39499.40778	22916.25953	85646.35135	34459.42208	23884.98943	28784.37007	82671.01082	40647.20867	33448.10072	33826.26645	33298.79268	17351.21929	34443.45181	43963.57917	463336.6313	33711.43224	23585.03672	17230.91879	2024.94823	1549.292346	3185.621977	9294.371874	12209.0631	6270.927653	6132.972156	60611.59032	48930.17054	4959.53352	7011.573694	14326.68564	6446.245949	20569.87487	6458.923313	6254.615578	12048.69856	18000.11672	15569.50728	10308.41685	9115.921253	6432.557041	5061.702084	15962.66038	20374.23818	16849.24154	8055.260839	31183.78023	116909.4409	45108.82081	18884.64931	46933.14775	16932.0321	33028.9701	45510.46976	50842.87084	373407.8029	50212.90038	40180.90396	32636.52491	38263.55324	99241.17696	27500.14523	19170.381	19676.21643	26173.91802	46141.63652	28931.93644	4728.984442	1127.882073	4336.181365
VY-3-135 355	1315.413872	380.9378059	276.5992446	1400.455479	880.0914549	557.4664321	830.9503332	1812.62154	642.172824	1030.906453	2111.178811	857.7582398	263.6462329	2801.052729	812.459246	1194.300566	512.4095837	1040.912122	1309.204857	671.3510053	607.9368828	842.824142	1089.943558	652.1718036	813.8891681	1243.89579	368.446682	1708.604693	2744.022414	1530.062321	12398.68219	1232.376284	884.8394349	3008.571592	1810.563095	982.1891407	960.577855	982.5365825	2149.455812	327.1597185	850.8047156	2431.071427	692.1410937	704.9155598	1499.002932	668.0447342	23821.17931	414.6283237	211.2441733	187.9358115	282.6910542	1048.73637	4390.424667	635.0483087	900.0365107	1954.354659	540.3472614	433.7293276	932.9167511	644.0590563	604.4964096	700.2619553	768.8945076	656.8886442	1226.083336	1045.802629	590.9009108	1133.34001	1577.510124	845.7485206	1475.653261	948.3508415	431.1081706	66.98233718	793.2180507	1182.868822	1199.705981	716.9845361	635.8164643	539.6567333	2810.254826	847.9260101	545.4564147	271.7183175	1803.518236	685.4454085	639.6160584	906.5768204	1702.922764	998.1302778	754.347871	1271.823177	11274.47001	513.1639754	976.4735809	452.1114486		75.43738094	286.837876	765.0765257	735.7539975	535.1888309	873.78832	1569.110208	1868.820838	484.9192326	458.5532362	967.7831196	612.0891483	1412.816921	671.1463645	748.0873687	1230.003641	623.4751785	917.5210672	489.1318809	982.6016831	718.2385474	618.6843757	962.1873074	503.8720957	463.2324534	480.9422202	1368.436622	1593.347787	1924.362061	977.8817536	1069.333933	607.0631786	1171.189871	1593.644091	1182.125831	11657.87196	2030.503151	1610.460987	1387.872855	623.0314359	2317.227865	1033.631432	1518.346568	512.1336651	728.2791112	1304.719282	1631.938826	213.4308017	145.3041475	289.492166
TVB-2640 412	165.5055049	161.8487173	275.3822689	169.4404809	151.7300555	199.0149143	202.6977811	251.0191307	371.7969272	302.2376317	209.583574	145.8441368	85.70156004	176.3705662	239.0359128	195.9184833	215.906947	205.5775363	195.3932169	229.1319722	373.550694	198.6766106	254.770935	256.0150974	308.3851359	327.0553657	267.0550725	545.457779	478.8903123	413.3892653	522.2005489	389.7154589	1688.987546	438.2381762	364.6351416	617.556729	1087.518288	811.6521054	1239.71447	1819.132528	552.4248883	701.2140766	849.6405106	396.0128451	1060.298473	528.9657293	2100.69215	374.6114537	413.2433897	197.4219618	303.6696382	351.310738	10833.33889	225838.8734	519716.2683	298.4550177	2206479.335	6025815.958	57998258.34	1947.465653	9414.582725	228439.8528	532819.3432	488.2500997	2233674.073	6254951.478	58953058.37	1586.340494	5183.67514	196329.5948	524390.2606	225.7407476	2211761.376	5837983.321	58855831.96	1466.875339	170729.2481	4577817.603	9522090.196	30340183.73	63230962.96	253009738.6	5763.965921	197020.2476	4098998.084	9426951.716	29185328.54	62579373.84	254159664.9	8308.502053	205650.728	4169558.644	9019647.764	27315365.76	65493645.03	252179361.4	10179.81494	803.9904264	574.3703639	291.8595654	463.810481	289.8211158	371.0490429	503.8641482	212.0764939	211.4617298	286.7655049	155.822398	303.9044598	214.1013839	212.4458954	290.5896327	134.5396828	229.6893482	303.4597314	274.0520507	143.1625613	381.8199828	114.7930679	181.1237172	204.2515611	453.9213329	217.2393839	381.2522903	754.5908421	832.873757	545.5560427	424.3386897	814.5813938	627.6068098	335.2835614	599.7760837	294.234225	807.8263857	952.9752748	612.1570807	772.924256	502.9106947	444.5981225	1064.603632	731.1150363	853.9992208	510.8202299	430.283788	169.5400718	195.5203952	242.5548899
TVB-2640 386																																	14.20368796							5.625121045							16.04403164						540.7030147	30340.51121	74557.16276		307816.9674	858107.3046	8591158.746	56.04075136	872.8800333	16038.20456	71852.55622		325187.9618	903846.5546	8682120.218		643.1127524	14493.84003	73802.64885		322409.3289	824772.1675	8734127.529	127.0999606	22334.87507	659315.7807	1370887.522	4461454.824	9437600.879	67889362.46	997.6201731	26970.61437	576608.5536	1374256.556	4270177.312	9471502.615	66302117.92	1075.559631	27089.42201	591216.2961	1312519.623	3966567.593	9980566.645	64990587.04	2832.376919																																																		
Folic 295	1497.748955	3850200.041	2489.567503	1333509.396	1313616.927	1234415.9	1166293.034	1222710.006	1306160.995	1401141.435	1198043.107	1247231.267	1269283.283	1236406.64	1258262.637	1270113.573	1347641.513	1369071.419	1336373.484	1376319.804	1269276.636	1308733.895	1377602.644	1235504.636	1383564.699	1334314.609	1259549.093	1047948.724	932478.9679	514254.3493	851592.2012	884433.102	673206.7754	29456.08038	944815.6555	999449.9052	581569.531	891586.7212	831055.5002	639877.0778	35215.8197	816110.4445	726250.2604	423060.8639	726767.1989	612914.0626	532026.3326	34517.9774	1158.554886	3753369.326	1884.58457	1433401.876	1454481.301	1419317.789	1427235.511	1355440.545	1478298.455	1511221.815	1289519.708	1293932.466	1272009.242	1211285.015	1371627.477	1377699.298	1274368.568	1245659.706	1274740.129	1420706.617	1381562.88	1234307.406	1242867.174	1243323.656	1378864.114	1301292.289	1331625.244	962085.2637	386414.1345	497305.2168	665166.6845	786129.1082	792641.1206	694425.2406	716596.9737	601540.5109	630036.513	528373.1832	726164.9947	783673.1321	660752.0171	672833.7041	618508.9709	602546.5029	545855.2991	460300.2161	599321.9548	465992.501	1691.113625	3955155.523	2469.935556	1391084.497	1504284.029	1373310.091	1240301.228	1374098.441	1456368.54	1392991.643	1205201.328	1329097.707	1370081.835	1387900.004	1401027.742	1304126.021	1386212.381	1328685.08	1343010.083	1355900.889	1408274.741	1352799.402	1324287.04	1296314.019	1483239.589	1391841.782	1310772.822	817040.2105	690715.49	642384.1114	834730.4146	554737.4836	600241.8368	626835.028	778235.0835	728678.3988	851206.9944	648699.9344	701250.1915	927361.1613	806282.4218	719691.8639	485033.0438	664088.343	802889.197	733119.1031	706704.2383	614752.7668	1535.310163	3668864.448	3526.065355
Doxycycline 321	324.558712	424.4329506	190.878092	199.8711879	224.5520402	320.8249411	542.9948727	509.9515259	308.0187683	708.5752184	301.4570141	217.4882188	416.5709822	510.0756939	204.2042368	199.2821268	673.3427134	656.8863492	346.0104899	216.4431574	290.5619632	403.6611902	352.3079429	496.3144711	197.5004973	239.5387966	325.676228	474.0782089	1033.024584	415.9067997	109.8503201	234.8933605	319.9030495	289.7464835	405.1648817	414.564049	422.6331006	520.8818189	514.0324279	202.2364716	1722.638376	131.3838464	208.632604	1021.241287	573.6795642	219.9089898	807.2840812	600.7084927	777.6434857	226.4157827	390.6733401	290.7032334	578.7226011	290.430387	425.9095936	303.028145	240.9037535	436.8358259	134.8654971	353.134005	99.3023636	217.8541764	241.8975797	399.3021618	261.0087492	246.9729986	419.1890839	434.5522829	652.8796273	413.2579672		226.2045891	381.7398709	99.55048738	393.0583855	508.794301	413.1769324	317.1597811	249.6830118	411.225993	255.2737198	206.768404	233.2674329	387.0463937	207.7261508	219.0908386	317.3171262	310.5693106	516.8430868	103.9976423	413.7377974	751.3121107	226.6623784	248.9644134	245.1926859	525.5585942	334.0807207	411.7765767	587.8782307	99.24756142	586.3617984	376.7111062	116.0033597	856.220726	359.6835849	302.5577682	104.2485357	107.8319387	215.9888168	311.5743408	208.0104489	316.3403747	303.0765985	358.7472393	357.4699437	300.7697466	487.0158678	336.9961572	324.7302919	340.8880105	546.3976396	357.7657931	730.6213527	240.1140083	334.3386934	316.5698656	436.5580931	614.1922298	406.0388423	342.5610738	425.2885217	409.9405421	126.2417708	202.1462143	251.9851716	504.7504325	331.5950945	207.3226793	618.3865955	106.4748773	319.1939533	380.7959048	242.2850739	312.5144447	387.7888701	325.186395	578.8143775
Methotrexate 308	1144.98977	377.996691	736.726191	421.0363053	792.6470538	256.3213518	527.1376983	1400.626257	857.9999984	523.2707098	519.7693792	900.8915433	1254.639329	642.6186588	895.7159563	507.7403123	1037.741986	910.6470655	673.6959373	863.5952995	516.6899168	1254.087541	463.7038817	1027.63274	1303.037873	388.4737142	1172.873707	2240.091787	1205.401528	1230.847439	1215.710779	932.1119712	2041.160833	682.6873234	1072.158062	1471.313099	1382.796945	3270.366361	1912.867749	2114.601832	433.4438174	1235.244369	1285.760795	1769.609469	2898.888067	1345.628174	2110.751881	350.3658471	991.6407049	527.9502544	925.5779201	883.2850775	1054.090097	575.536775	1205.978856	1579.420812	826.5609595	897.4448386	562.4421588	667.5100445	484.6653163	520.0619425	268.5042749	517.4894872	1149.459977	339.8534533	926.1016272	621.6793758	637.9054265	455.5001671	314.83303	402.7311405	819.4405115	914.8729295	1140.658871	1182.953628	1915.934254	1380.39062	907.1332481	1027.958019	1343.70628	1495.975415	976.9754067	978.8746351	1012.867965	558.5154625	438.7262861	576.3258783	1624.465326	1044.828289	3309.471673	3099.999345	776.3474918	1745.038535	1116.034664	289.6429261	594.8488629	620.6650436	974.1003219	1079.946108	657.2873516	1236.124975	1397.512889	386.2711786	696.8472685	505.8235382	1309.585016	620.1247018	938.4516209	540.1558979	398.6994959	1093.148419	733.0514489	638.5354965	1331.213618	941.8059747	424.3500259	544.1025631	1016.297661	968.430841	894.7006598	473.2420579	655.3150114	987.4129953	1892.207946	1504.289647	829.3280893	1255.333747	1201.180781	2136.532047	830.3139998	1304.901387	760.2626299	2492.430281	777.0177885	1143.632277	2236.704854	873.1430414	625.2365694	1995.094446	1054.014412	1069.921943	1115.630034	2291.879129	612.5967421	811.6294921	699.1691708
Methotrexate 134		131.6625215		125.491012			187.110847	121.9704732		126.6907911		129.4231767	241.9420368		128.0840097	236.0360502		319.6784383	195.8635153	119.4380196	126.049401	326.1847856				364.8465666		557.4707619		296.5767212			147.9097627	286.2667777	303.2086488	386.1203606	354.0108538	534.1034439	1168.437853		139.520024	155.263256		525.415585	380.6478269		198.541368				112.25375	133.5274941			377.3998163	313.8321065					130.7211729		258.9633452	394.3262694	182.0521881	147.2019928	156.1861987	241.6230138		132.6188545							526.1703601	190.8442408	355.6907518	422.1727092	162.8381827		312.5062218	385.8690147						216.3850041	590.4455457	218.799602		278.9106469			118.7493211	126.305494	239.014982			137.7343502	265.7994995	259.5680882			266.366892		271.7281929		134.1939829	310.7675629			122.0887363	363.6548629	124.1944605			159.2999405	126.185077	131.6432909	259.6357775			197.1135126						171.9396194	196.5464114	504.225717			143.8737821	457.1492698	348.547134	176.3193806		141.3689629		145.1830375			254.2134303
Puro Heavy 121	839.4417701	614.8200208	656.9024955	1114.398296	322.6984764	851.2844047	1197.745857	649.0664542	768.9632821	936.8502438	1048.896543	948.621491	1309.361835	1121.197492	714.9791574	888.0571396	875.0419656	1388.644698	910.4335622	813.0349577	501.4867672	1166.718195	711.0226722	744.1013021	748.1759293	1122.256908	1471.789847	2677.026298	2260.184175	1995.708291	3050.681787	1153.553755	5447.518578	1579.458595	2258.537089	1525.385266	1744.924947	1372.164925	1644.669466	2105.322485	1555.230709	1422.519884	2289.762948	1766.784862	10696.73109	1832.287549	1748.679243	1297.039679	1017.995672	1423.426171	748.4425678	766.4859769	639.6987164	640.6761839	1142.968167	1141.992555	1478.522951	837.266523	854.1744069	489.9232784	583.6994787	1304.37837	728.1902892	908.1113622	1473.60209	1116.558424	751.4965357	630.0176758	934.5197069	490.1360368	606.1335951	1043.416572	1005.294426	541.0965934	408.2300317	2138.961873	1541.606794	945.7623398	1637.972668	3016.574844	2596.469847	2695.408708	1036.824111	2044.596478	1515.343722	1783.375688	1766.537997	1719.31084	1695.977377	1422.205249	2295.894598	930.3627877	1995.836994	2473.228391	2592.006651	1574.850383	805.4122817	688.5449453	365.8046078	529.4441765	1505.44271	605.2322656	596.9490567	1151.274989	2761.483853	1115.36841	904.7009789	1070.615374	811.8076186	840.122817	880.158108	1056.192101	1682.81764	909.5250641	774.1494958	919.1650016	1481.066197	1092.310621	471.3571646	1151.695496	391.6742156	1194.890172	598.3100892	2263.747337	2483.020143	3696.220723	1875.45818	1554.596569	1989.552688	1744.232944	1837.944867	1230.920044	2401.468024	1695.222506	1243.489934	1538.594059	1407.753509	2212.101869	2205.207866	1897.332636	1783.907188	1264.821185	1548.456023	1815.083004	651.5469024	830.1983506	800.1767377
VY-7-137 508	2937.153129	1302.444201	1421.760723	5824.968441	6927.761326	13618.13935	10924.09824	37499.4958	15838.80815	16151.59103	3792.003177	8078.097025	10267.90546	14506.74004	8581.704099	44273.78339	12344.23244	12920.55025	3309.082503	6056.512032	7872.502256	11055.39585	9738.586589	20619.52166	18719.24501	13191.5159	3781.401778	46650.71108	71993.13984	73920.53935	183739.3244	85179.07746	92219.86961	44572.47673	82326.94648	74406.43216	58170.17297	82713.98506	89094.93538	74066.83279	22996.44602	57019.90797	46002.15473	62846.45547	85819.97352	88659.1351	135653.4845	29564.38371	3017.176778	714.2334043	3401.38936	4317.486336	5125.198412	7279.658229	10699.81054	11909.62011	8180.802119	8291.188888	11967.28879	12235.6377	6561.243777	12788.94669	10806.53035	20584.84744	7996.253275	8777.801355	12575.64641	4341.231069	6779.201645	5391.274503	11427.63147	22211.10657	11357.66075	10613.25849	11605.20644	71482.83275	92044.55409	74399.48188	75070.9622	70523.10347	98989.9995	147642.2137	83122.7921	86695.55368	99926.96493	80950.91097	71765.90901	121039.3599	163708.435	44088.40478	81132.00912	102357.4283	93078.50292	114318.9162	117161.7666	174348.3187	1546.049688	1767.573068	2848.300807	8395.475316	6241.398094	13218.14878	7527.817247	46370.35588	8336.997923	8466.247114	11227.80583	11395.40822	10264.85674	6879.001774	12135.07053	29846.91727	10932.7941	7389.390637	10135.73867	8105.869104	5910.257443	11542.83917	6119.16321	23207.85363	9894.65838	8936.127621	15750.14292	58573.91499	79329.1196	74212.7596	75733.50637	97272.22646	116442.744	111027.3815	56875.05487	70420.35093	42857.20154	90733.54927	94444.73528	104012.6075	107759.6293	57756.10351	43312.59599	91496.30784	77471.2764	88383.6354	119140.3307	82307.4601	1678.107109	620.7640014	3585.598207
VY-7-137 233	187.6455			134.9985			239.706	125.304		241.293				362.319	472.2015	131.514	262.476			384.192	194.58			376.7745	520.467		134.3775	544.2375	536.7165	414.0345	7259.7305	599.3685	992.1165		468.1995	197.961	235.083	399.096	602.6115	662.1585	138.069	930.741	395.8875	532.749	608.6145	463.68	662.262	532.749	185.5755		184.3335		97.1175	196.995	179.2965	309.4305	137.5515	101.1195	208.449	189.612	95.634	241.7415	242.5695					247.503	189.612			265.029	532.335	189.8535	269.6865	785.9445	629.97	485.2425	416.3115	516.603	542.754	765.0375	561.936	830.1735	489.5205	483.8625	488.8995	971.6925	302.151	208.1385	979.1445		554.484	694.002	275.931	420.279					257.163	323.679		209.07	283.452		334.788					222.249		392.6445	133.791	249.021	319.332		264.9255	468.579	402.4425		131.928	464.232	587.742	330.5445	798.0195	672.5775	1078.7805	345.4485	796.0185	1246.554	333.1665	620.517	393.369	992.4615	468.027	466.3365	338.8245	468.096	390.057	328.647	265.8225	329.7855			257.922
NAD+ 524	676.651806	741.1557129	505.7816077	1387.147565	1815.828248	2280.124387	955.9180953	1510.568644	700.7787298	2293.2137	571.6442024	1193.943189	1172.489092	1481.240399	2651.729788	1083.306494	1231.331257	794.9483798	803.1920348	2591.656255	1531.201955	1132.178774	1048.484799	639.408569	1080.16441	9517.185969	852.0881915	27401483.37	24881524.17	25631502.03	29022374.94	27816710.77	28618666.8	91423.15088	30273679.11	28932566.07	32128880.2	31550141.4	29316969.91	30349714.83	88163.27411	26362782.45	28140951.76	28173054.55	28646812.36	31302658.84	25092849.53	107970.6004	1291.655659	2240.587082	2024.601952	2423.455016	1273.611561	2014.815125	2645.069425	768.2791633	1271.012902	1796.91795	2365.909169	8562.902158	718.6805741	1799.784624	544.3649643	1030.65499	2416.877661	1705.886851	1388.337675	1098.543645	1236.468908	1583.427892	582.7733032	1242.146028	1320.572265	1232.837011	988.0958861	27552533.36	30211120.44	29794261.63	30526260.92	28353066.92	30974270.34	32824811.81	27075807.45	28817315.99	26553579.34	28111036.62	26580380.37	31469475.18	34646966.07	24731089.43	28021829.5	31989021.73	28893068.99	27307029.31	31004433.77	32840325.8	4994.81139	3327.937743	1445.954405	1306.890323	5934.808539	2830.913772	2526.933465	2607.380747	1816.65191	1161.182622	8709.14519	1376.893765	1023.088204	5528.461562	4683.475766	1204.218846	849.2566645	1041.851104	1477.008166	720.6504991	1796.34575	1935.891044	2021.356806	607.9441045	447.5224183	569.6148735	1541.358519	25086646.75	30788027.4	29682027.71	28547216.16	26676167.67	26408665.76	27045785.33	26306219.59	31631573.61	27363457.54	26888597.06	30160283.75	28104794.78	31841396.71	29488568.15	30020840.46	30179988.01	26619603.5	26955661.53	26421406.36	28833869.26	4130.953304	3795.249278	2073.565496
NAD+ 428				954.7000023	861.0141038	551.9028402	153.8892543	78.87142721	472.2432013	798.4515824	152.4675085	477.0507457	392.1161926	534.238622	1814.617404	77.89766285	356.3980128	873.6577393	184.0128937	719.866907	305.0652605	1357.024476	80.12652934	167.1844748	801.9784151	11987.86714		39904587.89	37108199.66	41136328.63	39364546.43	43484000.94	43110630.14	104684.7071	43637041.63	40382039.74	46231049.3	43736118.54	40372857.42	42587274.2	102744.4734	39797291.76	42075417.91	43634380.79	39811737.43	44084156.27	36311635.5	125910.0652	913.217684	1384.244628	899.3883259	3157.071698	849.8106569	317.2040964	4018.723078	615.0224892	274.3871813	868.2203095	752.1464373	10946.49546	317.2023577	777.9636553	154.0781619	645.9778524	1023.113895	256.6674124	607.8031929	225.8061283	235.9675788	543.8030548	239.4645185	248.6110598	302.4206569		624.6493603	38836944.61	42258603.55	42077569.53	40458986.46	41494441.54	42042647.29	47559184.34	37475390.93	39176663.52	39218302.58	36062983.16	36605899.58	43219761.23	46841322.45	37236763.77	42979569.42	46299802.9	38707248.36	38494516.55	42813025.49	47082357.18	4358.512908	4686.389695	940.1273155	2020.739632	8056.726485	3669.58752	2204.574982	471.5989571	399.2297532	943.8222731	7136.799349	780.2611829	239.7107668	3315.128947	2475.132344	329.7818105	237.8227179	238.1099732	172.0740673	350.9822659	1037.567655	88.96122506	380.1569808	88.9098122	75.1952398	235.9435064	160.5391744	34747713.97	42239019.39	40712118.72	39690075.43	37361308.31	37642164.5	37471664.61	36325973.74	43125917.75	37510685.14	38063090.82	42594468.77	38124136.78	44505690.18	40340714.67	40567602.53	41575458.11	36309356.71	36746270.44	37373642.08	39454715.04	4339.049324	1799.146824	997.2615761
NADH 649	731.089814	1018.411471	616.1263705	1031.035464	389.4765081	898.6998579	1011.171208	698.8567499	323.8699184	1034.176367	1159.730824	1670.939541	742.9804334	545.9043213	790.8335386	753.6345037	466.8403711	813.2065642	833.6765882	990.0300343	832.1096161	665.0046559	807.8319354	632.8747524	613.1427957	917.9483758	616.0160582	1791399.878	1664065.885	1749341.862	1895569.745	1206110.813	998639.641	688.9271437	1821935.746	2103107.312	1889284.554	1916209.495	1757526.7	1614803.985	978.0149399	1894156.079	1806686.881	1553862.892	1978233.832	2047109.054	1473835.035	582.4650776	1162.448214	1332.919584	379.1774163	1157.176312	1217.344193	362.2021538	1001.082684	854.026022	740.5363569	754.6968543	1017.956607	984.0018161	600.688928	749.5682143	876.4689223	731.8039691	729.1890321	706.7758469	819.0191658	819.5503369	602.0310516	621.1507113	811.4690624	714.6142611	758.9605871	1354.246885	776.7388628	1816522.986	1946806.876	1382040.827	1534484.89	441736.7106	1413524.756	869967.9882	2246370.896	1645322.331	1786584.875	1873429.89	1981507.438	1315215.85	756395.5241	1368453.236	1459631.677	1162472.685	1706904.477	1216866.833	1372600.847	876432.7076	500.3050214	526.1482824	358.6610636	1445.918252	474.8710253	913.1370111	925.3673234	456.2606696	452.7273918	981.2670904	820.5970929	1204.708194	683.389321	892.0805227	1556.333095	1965.693874	997.0317474	1053.457957	473.9375251	663.9400124	664.0041584	435.353506	903.2379135	939.596126	605.6030225	1126.938849	984.0961484	2632448.864	1875907.282	2339154.032	2121749.816	1862153.774	2153661.027	2084233.745	3510802.631	2212698.828	2180746.556	2158522.682	1955436.329	2640992.245	2477347.395	2825935.077	2267188.33	2217549.831	2343316.897	2306649.539	2362819.484	2369392.369	932.926013	715.8015141	388.0325029
NADH 348		81.49530081		208.0023175	81.61304604	75.70492578			73.08468574	76.69237061	77.46442097		83.60037668	69.55201244				76.07881397	74.9238463	76.00079959			79.87441485			132.8848216	79.15508649	722835.2978	690654.486	678120.7083	790845.5173	496665.7587	415612.5041	161.9425805	703391.1712	872396.0811	777824.2293	802293.0783	730437.563	667804.8525		774110.9415	697934.2953	637066.4517	830521.6943	831598.2582	612054.9982	225.2149676	72.4767811	201.0737673	147.6365786	80.45495722	220.9389572			75.65735751	145.9902314		89.5479756			104.1103026		85.34332701				90.28377037			219.9835213	75.35780136			229.1795065	751667.0206	782351.7426	574852.6517	676156.8676	202599.6737	604989.3159	389339.0784	957234.1736	664767.2014	748304.0467	749689.0656	842320.8042	583350.3817	364356.8733	582380.3734	598656.1269	490275.023	692730.7875	543590.2653	581983.4889	376375.1824	262.7843713					75.40822549				153.0617485	165.2657747		155.6017258	89.4846607	158.3580824	153.224959	146.4650155	77.96167612		76.8920912						156.0901835		1077989.66	792751.6832	935030.1054	868620.427	789604.9683	868284.2523	867776.0573	1431531.411	914733.1466	894164.7364	915573.0347	838748.6621	1082051.434	1032717.745	1116931.805	970290.6241	931334.219	956970.4693	955374.7606	918947.3702	961286.1515		76.62650687	86.83876753
Methylcobalamin 147	210.0325834	511.1317728	120.4371307	130.2795215	183.5901796	193.3174273	223.2282228	109.2428958	339.4266828	259.857114	100.4563654	213.9919917	260.9522466	125.5878388	143.5331234	125.2411742	195.5686493	124.6955317	107.4224593	96.42519481	177.6638317	118.906227	322.6964751	208.5775112	196.9916182	149.8573479	128.8937434	645.3250427	498.8694556	326.6682926	601.4561666	726.3002125	321.6455153	287.0288714	479.0937793	831.9569799	951.1189253	608.6870221	309.6685356	675.6060649	565.9692447	728.1370095	596.6239835	710.4921075	676.8179742	735.4437925	562.8205644	451.5332587	280.4699338	395.218803	255.5000888	199.4181074	162.5840647	133.31415	235.6082374	217.2591729	136.5308924	132.7446932	222.3599055	155.3065587	243.7555961	93.99597411	306.8206912	158.613504	142.7226581	146.5733358	155.7531262	132.2001417	267.3461967	165.1743818	75.36909227	129.662078	133.8609657	155.4660964	178.6671666	309.2787002	649.958789	565.1166001	480.2897261	414.8917721	1175.533667	858.5068758	476.8567309	466.4607266	402.0067969	775.4059919	927.851153	1051.927225	473.8397855	1040.154528	987.8119954	768.6197768	754.9698317	952.7309728	1851.036204	1023.566643	362.8578204	308.5510805	404.6995533	96.09419844	219.5191108	143.7293755	138.0848056	83.0059472	137.1958109	123.3397486	113.2136647	200.4160435	196.5144578	182.5511509	240.0537828	188.2261032	319.4007961	135.723111	168.6905536	209.7307028	147.2283639	204.7533659	106.2919183	185.8841261	245.5618092	150.2382436	196.6512584	500.1626457	637.9902222	446.8398309	403.4002969	1118.452656	598.9121275	734.2552556	1488.483759	730.7138582	892.4389596	661.8708919	884.3257741	596.2131573	664.399313	471.2398859	582.7278394	628.8402964	912.1267994	237.6271803	887.0081537	382.7631312	213.8634375	1176.556598	280.9280829
Methylcobalamin 636																																																																																													12.43840958																																																						
Cyanocobalamin 147	173.6923459	1310259.668	234.3812325	7717.332751	12477.27597	8084.369383	13959.09127	18256.33949	7194.703087	7619.953278	7448.920215	8421.959446	11436.43622	8362.930823	5935.058222	11777.13129	6251.014081	17637.1546	8804.101861	16218.91403	10331.19986	9734.214712	9078.282402	10385.9548	6714.318237	14731.1609	9918.451681	7790.462828	5785.681484	3208.469742	6858.84833	6995.063259	2274.183874	2939.595112	14191.24938	6485.36313	5422.623053	12723.61634	7650.597195	6533.114249	2487.940503	14397.81971	7506.782823	7973.316205	5838.429164	4892.827678	4082.212601	869.8566422	140.561734	2505974.115	141.0907358	17349.16979	7275.36356	6812.489404	6893.021182	10268.29813	10014.6515	8077.0572	6001.199959	6567.428714	11321.02108	8135.903302	6680.248851	12065.95362	8016.732145	5844.434072	9965.505724	14350.94441	6200.623952	6974.597907	14481.52906	10690.86083	16813.38213	6248.075992	7675.186354	6232.277034	5506.680089	7392.804037	4770.451045	2105.590013	3616.08351	5730.568905	4043.809146	5830.213226	6144.384539	7916.998353	3872.735204	5551.415735	5486.861699	9032.195924	2481.17271	9049.830205	3164.43279	3891.795969	3630.283877	2824.428794	106.5266741	1347713.995	180.3862326	9462.380227	6222.703143	13833.49209	12807.7592	6130.618662	7443.226575	8170.652382	11625.201	5253.537009	8524.790905	12029.10974	8127.796481	9030.284042	7249.69691	14302.59565	9524.120773	8150.031373	7985.04817	9720.30085	4417.814308	10832.04883	10270.98263	8504.849212	8182.974171	9242.481175	10688.95553	3796.27817	8270.940399	5389.086677	5841.886422	2076.317596	11519.86483	6921.5601	5874.157548	5316.318973	5956.811121	6183.957217	9074.802369	8870.212936	3390.080975	6034.691275	7964.814373	9469.074754	10959.40225	4993.389518	308.2864637	2670981.454	442.8210435
Cyanocobalamin 457		307711.6869		1023.68263	1221.018663	464.2540052	1701.080453	1142.587837	1953.141986	2371.316015	1147.099493	1287.622207	1480.877331	1059.463164	780.6324567	1248.356722	805.1492328	605.9807227	593.9211682	1166.151702	1456.936559	910.1300043	1102.988297	923.8251369	522.9634388	860.9663693	866.4177714	1208.461515	729.8048298	403.1138147	821.8858074	925.7486084	662.3564886	158.4064351	1588.644457	1188.808344	627.3884532	1459.898032	1050.884893	766.0152539	81.15997032	1807.185733	1241.044484	392.3816939	926.4249848	638.0991453	595.6711673			181646.1441		1831.088077	1089.516419	2557.65729	507.4618152	1375.118624	1426.269282	1853.961875	1665.73065	1464.057878	579.3951334	592.3657962	742.6434895	1917.723189	1313.698568	1503.908748	1241.75772	1652.705106	1331.613916	750.0006075	1434.320353	1054.021378	451.1277733	1024.519366	1075.560789	1660.042237	2093.787346	984.0034411	611.1054656	154.3861814	869.8463814	638.8910625	916.1186527	902.4835278	1061.082971	787.1255969	478.7118688	1357.140888	1159.366941	432.3272086	872.6485331	626.2152992	400.1475308	846.6651364	755.9824112	502.2061278		199636.8633		892.6400446	918.4047781	1433.486219	1477.406093	1085.544547	771.7610328	905.40142	1068.48263	1225.314243	616.9523258	1992.092622	633.4024273	927.1551997	1423.593396	1013.936564	890.8043415	1016.424978	1496.177505	1334.57833	931.8148709	1322.247657	989.3954372	1042.667982	478.0544903	1375.516453	1008.589794	372.4324675	1093.575378	610.7342904	658.3246814	642.1655499	1071.014607	1802.200402	873.9720556	709.9348795	1965.456023	1221.978103	722.4032233	1094.062158	734.5012783	822.4937751	1578.028285	746.2911093	877.1231951	478.6367558		178431.5533	
Adenosylcobalamin 147	144.4585988	320.673748	109.3711236	331.9913463	310.4983777	163.9048294	119.2131804	209.6937262	113.9682365	364.447949	248.1213022	190.7207023	120.433057	147.0874091	238.0129477	257.9529186	204.1939372	211.9542392	81.02591568	167.1844041	256.3717775	149.8772262	311.4995429	235.6007422	279.1324079	82.55585815	249.8723204	1341.890576	307.2295361	447.8951601	336.783776	355.4865647	461.7486429	2118.014839	924.3834788	458.941253	477.6586339	438.1402049	478.243591	672.5563549	1475.661146	781.0468076	704.5100638	575.6536178	598.1087651	654.1259405	484.7190505	2497.504518	253.4760966	243.1220986	179.5542731	163.0265343	164.0514958	245.1428936	208.4089056	164.2517064	228.8157076	263.3113747	161.8936746	381.0767528	295.8944403	119.54171	236.4644554	162.0893525	189.3844215	295.3675524	275.6038989	117.9043872	119.7046698	358.9995583	142.0251136	163.7861213	39.14450343	216.5128202	205.9105862	623.3892298	1276.642923	431.7219031	995.4215713	338.1251493	1444.910701	901.0832704	675.1738035	750.1749327	883.9308956	709.1033587	637.1827444	360.128556	1441.506981	1043.089909	301.2579522	496.0301789	871.7261872	381.9413944	891.607843	1396.192754	237.4576248	416.0550643	266.9036038	41.87776098	206.5052181	232.0648653	223.9791604	197.7930348	247.401848	84.82005283	165.939609	434.6529899	260.940397	166.750511	258.9691585	207.3820344	108.7024569	286.6061003	186.6972476	341.4816206	325.9449548	212.7151087	207.1952414	81.43864931	246.8105838	216.8254736	205.7904715	500.9281733	369.6870235	524.5570332	567.8985596	690.0082751	1101.66853	511.2621011	483.5790873	654.6306053	446.1514764	746.6493152	676.0235656	571.2584687	801.2201573	701.4141352	647.3534427	811.2255244	850.5866385	524.3902877	595.3157016	678.247719	304.0580421	310.7330809	114.4847496
Adenosylcobalamin 341																																		189.9449456		352.5836432	48.01476068				135.6891999					147.8494393		443.8021981																															138.4347593								46.01716479	46.70919056								90.78433933																																			46.83298912			47.19338268		90.12490259	318.4567476		100.8222299	171.5195694		87.03247657		332.6383405			
Acetyl-CoA 303	102.4967236	309.3044567	146.1343325	281.6724432	223.9888864	50.64341259	66.77077883	66.57754353	273.9583514	267.3659519	164.5254662	149.2014203	71.80047387	85.37478486	190.9016448	189.5205979	63.5426436	467.0287231	153.8944024	183.6245972	103.2925164	61.70530911	111.3906282	73.49693807	209.0510374	568.9175027	144.8506029	5321227.579	4570928.455	5402303.223	5553875.376	5352029.666	4502348.502	3153.460936	6227107.633	5554966.991	7046324.903	6328649.54	5793405.479	5886354.396	3710.423075	5807746.189	6183730.982	6971654.833	5748751.529	6443637.626	4416216.741	6292.922031	2009.756681	1395.834951	1039.393495	709.2351702	971.140012	1149.489181	1245.277421	364.4695944	883.4649344	1177.203067	522.3925236	756.4630608	196.3739729	349.6559124	220.6275734	156.806541	413.8602859	315.726007	454.4025186	417.6685465	369.7932338	128.3550599	175.7376076	259.9795863	190.1988663	707.6919069	394.6501902	4924008.856	6529869.575	6233281.015	5685595.065	7144278.64	8003691.998	10490429.94	5380515.207	5985241.623	5781684.87	5632464.997	6324705.792	8840779.389	11028009.02	5120947.882	6743296.113	6985989.743	5715450.069	7568921.544	8216963.332	10922678.32	5654.975668	1290.982477	2046.488986	1157.506388	1350.640857	1575.557168	1377.024992	576.6971405	634.3373628	1240.255641	1527.549918	524.0804176	688.2960673	1414.430779	496.2173636	158.5982143	256.7527507	339.744657	363.674454	318.1673181	302.4670428	282.9540046	327.8333051	133.1689548	219.9609097	526.1503908	275.0694616	3796688.928	4769222.917	5092556.208	5036307.199	5560182.278	5863287.915	6329479.002	4389363.469	5613035.193	4832820.941	5340033.643	6210045.78	6538677.423	7337048.709	5204287.066	5320990.684	5333560.215	4662050.672	5263999.609	5818474.979	6583241.966	2799.8049	1149.822511	1041.393576
Acetyl-CoA 428			48.08304985	59.60559771	147.3896818											54.72186406		77.11211624		67.6813058								686424.2605	579214.0886	721608.7232	728634.3818	702099.5927	624959.7906	771.9802721	841192.6481	731136.4026	951598.0715	844415.7356	788868.1069	769300.6831	481.8964358	784979.8893	815606.5039	912130.8858	749375.2401	904066.5084	575580.0233	468.6078462	193.7199216	491.6455176	50.82854991	217.381425	273.1405418	205.8210768	335.5249486	57.36947128	130.3737973		134.1900971	166.0113629		52.35302751		145.0132912	192.2362996			110.8287654	82.61133917		94.68406859				74.94085692	597435.5194	870909.7761	835061.6252	785338.7801	869123.5426	1072928.878	1379828.327	703418.4048	828826.5901	743259.5646	765643.0659	839779.4411	1153871.392	1479350.753	684030.6096	876902.9268	942418.131	769584.2713	995239.9085	1099343.872	1458117.908	529.6267453	379.4367032	324.7661513	114.8022824	279.7798982	275.5037103		196.3954637	179.3512793		68.43118271	256.4967783				55.16700478	52.74320047		86.33474852								188.785426	499499.2635	664141.216	687830.5538	662969.8398	720735.8967	767336.7773	814897.2228	594372.6033	768125.0994	644038.4911	706807.9211	809443.1477	837192.8678	1030543.998	716431.4691	740091.4444	780468.3801	605557.8585	712831.1809	812809.7021	891589.381	558.7081445	262.4617295	129.1935372
Malonyl-CoA 303	395.3125485	107.0790693	181.0632347	246.7947645	193.734121	182.4737133	144.2615022	435.5715322	154.1194416	182.1741255	285.69401	64.27836444	156.4589856	152.7673933	115.1835418	116.2167417	166.3444835	322.4617955	128.1399965	184.6936465	141.2268276	141.3555899	126.9644876	184.9647617	161.6791355	100.2154528	253.1197276	97105.80145	89515.34815	88620.42237	94066.34249	77504.644	80530.82067	228.3317332	104781.0542	105204.6491	109836.1815	112167.3877	93494.41138	107864.066	336.2438407	96561.11602	108803.4223	116115.9322	92799.3939	108118.4345	76950.07401	307.0186641	440.560591	473.4424513	256.9396422	231.1101816	249.6715292	246.7086449	255.7519456	145.5441599	489.4542455	181.5064342	184.6986498	243.8073503	165.6408018	191.7386493	235.1507936	433.0156901	140.9020775	65.31523272	134.4273093	112.5870844	225.3484282	187.399374	64.51713502	191.4892432	217.2932374	222.3193453	104.1337581	77948.13317	96375.68577	99824.48537	104835.3162	424212.7661	1313468.919	3277956.114	91816.48208	99040.80666	99293.96407	94801.45249	373245.7441	1321540.565	3423719.159	88335.82333	99649.70055	102267.8601	102138.6729	436467.7757	1328027.276	3097150.675	2858.863151	1636.486463	481.8635893	548.7618752	375.7356646	297.955367	535.7558105	102.3067717	132.5897639	608.4539723	340.9021831	192.860545	241.1008164	203.1896328	397.9047587	274.4081897	144.783092	189.3032392	391.5433163	117.0439282	129.9672844	169.5507885	156.1564113	186.0995932	458.2475901	207.2494108	224.0340395	90220.69252	98644.0181	111031.5596	122226.7165	646254.1796	1416999.888	1709380.18	99621.12948	116819.3988	103500.2527	114318.4407	694690.0699	1488336.036	2233396.078	113636.5951	112603.2385	118743.4425	108112.407	617874.8532	1410975.873	1927049.777	2485.661234	697.1949133	432.5560073
Malonyl-CoA 428													69.96829693					73.01237224							143.233	39.34285276		78308.21235	69586.85595	77638.33121	69998.36813	59091.99231	62674.11984	93.03531701	94264.84324	83893.53529	93957.14105	88008.82668	77499.27827	86531.9283	239.9312461	78114.74555	90396.9774	94868.40156	72529.33514	93292.49214	57276.98556	68.67101139	30.3718977	36.3567794	76.50176047			105.2869345					36.6545315						109.2867536									96.55513102		61229.39764	71384.59796	81699.07213	85017.57232	321382.7993	982161.2583	2564843.578	76640.19738	74048.71713	72776.05689	75816.82995	279237.9227	990754.0515	2665513.912	64393.34079	74890.91977	84392.90567	82874.49481	331514.9338	1055484.424	2525359.517	2067.26968	347.198014	140.8354944	75.53314165		39.22839282	36.97656547		32.93129866		32.81206374						36.4646662		51.68371722							41.61165159	71.80736363	70787.81726	103249.0848	92662.08763	100432.9695	477592.5169	1120971.497	1275890.533	87897.87597	93335.09611	78781.11511	90718.87522	546401.1789	1127661.258	1694919.866	91531.11356	86066.18257	92792.57709	94098.40191	486096.1335	1110738.138	1481906.403	908.5998122	143.3517908	104.4455255
Myristoyl-CoA 428	85.09788599	191.5350166	151.2495601	114.6456671	130.4797213	165.0251055	107.3027302	186.7923486	187.3185227	83.97907609	54.06446571	57.79132498	81.90394797	165.3549215	87.68535772	54.53637067	53.27220335	131.9999165	105.8220765	130.6260992	178.7257375	131.0045958	199.1387315	89.14685757	79.94253146	82.89936436	82.8004541	205721.1849	162645.496	130931.5179	203936.5295	119157.9544	59182.74838	108.103238	238949.9617	245308.2421	310039.2823	211100.0103	164115.0037	134774.7469	218.9502121	218628.4471	230075.8688	302318.034	214460.885	212239.7485	156350.7569	218.7300668	138.3652326	238.7014764	80.96073423	210.7166636	116.1305767	166.0824542	182.3428794	55.56955046	134.3596291	167.0605958	67.29388389	84.30757332	110.9015234	132.2108658	110.1820321	134.3613435	133.6050941	134.1260873	110.9561206	99.81153215	135.4403747	104.2372775	33.37234518	109.5162518	100.7443757	77.19852773	224.0160731	195621.1337	319991.6458	235581.2622	115483.4007	21645.38598	34572.76724	19995.37793	201401.952	239835.1092	204510.2769	110556.4912	34297.50796	52540.57179	17277.60344	177028.1983	247297.7176	153362.5001	126865.4886	67054.89269	46281.84567	22347.9543	59.30819287	79.34793461	86.77753364	104.8751849	138.291512	142.3032566	87.7335222	52.40239983	112.9798278	189.6120809	140.4026992	159.5700474	238.7661595	80.64919808	32.95939288	116.4625583	163.031811	208.6132481	115.2424025	33.42970485	235.5145182	118.8991997	80.70912663	191.7015851	164.7263115	301.3710011	133.9514951	121649.1864	196663.2539	155575.3432	109433.4649	70185.71073	43897.15504	29429.28428	123696.243	207855.5364	162179.9754	170532.9564	50987.49298	45889.80402	27679.88222	212980.1533	238521.609	215895.6492	124605.0903	57945.40562	52391.28585	34362.55088	207.9495513	82.76639106	156.3291367
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	compound group name	expected retention time	retention time	transition	pubchem id	kegg id	regno
Urea 44	Urea	4.13	4.09	61.0 / 44.0	1176	C00086	37188
Glycine PARENT POS	Glycine	6.98	6.95	76.0 / 76.0	750	C00037	37085
Alanine PARENT POS	Alanine	6.42	6.39	90.1 / 90.1	5950	C00041	37109
Choline 60	Choline	10.6	10.64	104.1 / 60.1	305	C00114	37073
Serine 60	Serine	7	7.02	106.1 / 60.0	5951	C00065	37123
Proline 70	Proline	5.22	5.2	116.1 / 70.1	145742	C00148	37110
Valine 72	Valine	5.06	5.04	118.1 / 72.0	6287	C00183	37484
Valine 55	Valine	5.06	5.04	118.1 / 55.0	6287	C00183	37484
Threonine 74 POS	Threonine	6.25	6.19	120.1 / 74.1	6288	C00188	37113
Threonine 102	Threonine	6.25	6.19	120.1 / 102.1	6288	C00188	37113
Cysteine PARENT POS	Cysteine	5.86	5.94	122.0 / 122.0	5862	C00097	37316
Cysteine 76	Cysteine	5.86	5.81	122.0 / 76.0	5862	C00097	37316
Niaciamide 80	Niaciamide	2.54	2.55	123.1 / 80.0	936	C00153	37778
Niaciamide 106	Niaciamide	2.54	2.55	123.1 / 106.0	936	C00153	37778
Isoleucine 69	Isoleucine	4.36	4.39	132.1 / 69.1	6306	C00407	1871
Leucine 86	Leucine	4.1	4.16	132.1 / 86.1	6106	C00123	42493
Asparagine 87	Asparagine	6.68	6.75	133.1 / 87.1	6267	C00152	37114
Ornithine 70	Ornithine	11.6	11.67	133.1 / 70.1	6262	C00077	37139
pABA 120	pABA	3.88	3.57	138.1 / 120.0	978	C00568	37770
Glutamine 84	Glutamine	6.58	6.62	147.1 / 84.0	5961	C00064	37346
Glutamine 130	Glutamine	6.58	6.62	147.1 / 130.1	5961	C00064	37346
Lysine 84	Lysine	12.12	12.29	147.1 / 84.1	5962	C00047	37121
Methionine 104	Methionine	4.61	4.6	150.1 / 104.0	6137	C00073	37371
Methionine 61	Methionine	4.61	4.6	150.1 / 61.0	6137	C00073	37371
Histidine 110 POS	Histidine	6.3	6.38	156.1 / 110.1	6274	C00135	37119
Histidine 83	Histidine	6.3	6.37	156.1 / 83.1	6274	C00135	37119
Pyridoxine 152	Pyridoxine	2.72	2.66	170.1 / 152.1	1054	C00314	37154
Pyridoxine 134	Pyridoxine	2.72	2.66	170.1 / 134.1	1054	C00314	37154
Citrulline 70	Citrulline	7.05	7.07	176.1 / 70.1	9750	C00327	37494
Citrulline 113	Citrulline	7.05	7.07	176.1 / 113.1	9750	C00327	37494
Tyrosine 136	Tyrosine	5.63	5.54	182.1 / 136.1	6057	C00082	37107
Tyrosine 123	Tyrosine	5.63	5.53	182.1 / 91.1	6057	C00082	37107
O-Acetyl-L-carnitine 85	O-Acetyl-L-carnitine	4.19	4.12	204.1 / 85.0	7045767	C02571	49952
O-Acetyl-L-carnitine 145	O-Acetyl-L-carnitine	4.19	4.12	204.1 / 145.0	7045767	C02571	49952
Tryptophan 146	Tryptophan	4.69	4.71	205.1 / 146.1	6305	C00078	37505
Tryptophan 118	Tryptophan	4.69	4.71	205.1 / 118.1	6305	C00078	37505
Pantothenic 202	Pantothenic	2.8	2.71	220.1 / 202.1	6613	C00864	49832
Cerulenin 207	Cerulenin (contaminated signal)	1.55	1.57	224.1 / 207.0	5282054	C12058	43276
Cerulenin 89	Cerulenin (contaminated signal)	1.55	1.56	224.1 / 89.0	5282054	C12058	43276
Biotin 227	Biotin	3.2	2.83	245.1 / 227.1	171548	C00120	37035
Thiamine 122	Thiamine	10.8	10.35	265.1 / 122.1	1130	C00378	37152
Penicillin G 289 POS	Penicillin G	2.61	2.58	335.1 / 289.0	5904	C05551	43291
Fasnall 218	Fasnall	1.98	1.76	339.2 / 218.1	16230362
TVB-3166 116	TVB-3166	1.5	1.54	385.2 / 116.0	72947731
TVB-3166 342	TVB-3166	1.5	1.53	385.2 / 342.0	72947731
Acyl-L-carnitine (18:2) 85	Acyl-L-carnitine (18:2)	1.48	1.45	424.3 / 85.0	6450015		4489
GSK2194069 344	GSK2194069	1.58	1.62	429.2 / 344.1	67376285
VY-3-135 412	VY-3-135	1.56	1.53	430.2 / 412.0
VY-3-135 355	VY-3-135	1.56	1.54	430.2 / 355.0
TVB-2640 412	TVB-2640	1.45	1.48	440.2 / 412.0	66548316
TVB-2640 386	TVB-2640	1.45	1.47	440.2 / 386.0	66548316
Folic 295	Folic	7.88	7.83	442.1 / 295.0	135398658	C00504	37083
Doxycycline 321	Doxycycline	2.57	2.64	445.2 / 321.0	54671203	C06973	21328
Methotrexate 308	Methotrexate	4.77	4.76	455.2 / 308.0	126941	C01937	42898
Methotrexate 134	Methotrexate	4.77	4.75	455.2 / 134.0	126941	C01937	42898
Puro Heavy 121	Puro Heavy	1.69	1.47	472.2 / 121.1	439530	C01610	51097
VY-7-137 508	VY-7-137	1.45	1.55	526.2 / 508.0
VY-7-137 233	VY-7-137	1.45	1.64	526.2 / 233.0
NAD+ 524	NAD+	6.2	6.15	664.1 / 524.0	5892	C00006	71883
NAD+ 428	NAD+	6.2	6.15	664.1 / 428.0	5892	C00006	71883
NADH 649	NADH	6.12	6.02	666.1 / 649.0	439153	C00004	42581
NADH 348	NADH	6.12	6.01	666.1 / 348.0	439153	C00004	42581
Methylcobalamin 147	Methylcobalamin (Vitamin B12) charge 2	8.9	8.98	672.8 / 147.1	123134034	C06410	49959
Methylcobalamin 636	Methylcobalamin (Vitamin B12) charge 2	8.9	9.19	672.8 / 635.8	123134034	C06410	49959
Cyanocobalamin 147	Cyanocobalamin (Vitamin B12) charge 2	4.2	4.3	678.3 / 147.1	5311498	"C02823	"	49959
Cyanocobalamin 457	Cyanocobalamin (Vitamin B12) charge 2	4.2	4.32	678.3 / 456.8	5311498	"C02823	"	49959
Adenosylcobalamin 147	Adenosylcobalamin (Vitamin B12) charge 2	5	5.05	790.3 / 147.1	70678541	C00194	121148
Adenosylcobalamin 341	Adenosylcobalamin (Vitamin B12) charge 2	5	5.04	790.3 / 341.1	70678541	C00194	121148
Acetyl-CoA 303	Acetyl-CoA	5.75	5.57	810.1 / 303.0	444493	C00024	50043
Acetyl-CoA 428	Acetyl-CoA	5.75	5.57	810.1 / 428.0	444493	C00024	50043
Malonyl-CoA 303	Malonyl-CoA	8.1	7.96	854.1 / 303.0	644066	C00083	50143
Malonyl-CoA 428	Malonyl-CoA	8.1	7.94	854.1 / 428.0	644066	C00083	50143
Myristoyl-CoA 428	Myristoyl-CoA	3	2.82	978.3 / 428.0	11966124	C02593	37846
METABOLITES_END
#END