#METABOLOMICS WORKBENCH douglas_walker_20180822_151739_mwtab.txt DATATRACK_ID:1482 STUDY_ID:ST001048 ANALYSIS_ID:AN001716 PROJECT_ID:PR000702 VERSION 1 CREATED_ON September 11, 2018, 1:16 pm #PROJECT PR:PROJECT_TITLE School Inner-City Asthma Intervention Study PR:PROJECT_SUMMARY SICAS 1: Allergic asthma is the most common chronic disease of childhood in the PR:PROJECT_SUMMARY United States. Asthma is also the number one cause of school absences in PR:PROJECT_SUMMARY America. The role of indoor allergen exposure in homes and asthma development PR:PROJECT_SUMMARY and morbidity has been extensively studied. Because children spend a significant PR:PROJECT_SUMMARY amount of time in school, the school classroom environment may be as significant PR:PROJECT_SUMMARY a source of allergen exposure and consequent asthma morbidity as allergen PR:PROJECT_SUMMARY exposure in the home. However, little is known about the role of allergen PR:PROJECT_SUMMARY exposure in schools and asthma morbidity. We hypothesize that exposure to common PR:PROJECT_SUMMARY indoor allergens in the classroom will increase the risk of asthma morbidity in PR:PROJECT_SUMMARY inner-city children with asthma, even after controlling for home allergen PR:PROJECT_SUMMARY exposures. In a longitudinal study of 300 elementary school-aged children with PR:PROJECT_SUMMARY asthma from multiple classrooms in close to 40 inner-city schools, we will PR:PROJECT_SUMMARY examine the following specific aims: 1) to test whether elevated levels of PR:PROJECT_SUMMARY allergens in the classroom increase the risk of asthma morbidity, even after PR:PROJECT_SUMMARY controlling for allergen exposure in the home; and 2) to test whether the risk PR:PROJECT_SUMMARY of increased asthma morbidity in relation to elevated classroom levels of a PR:PROJECT_SUMMARY specific allergen will be highest for those specifically sensitized to that PR:PROJECT_SUMMARY allergen. An understanding of exposure risk factors specific to the school PR:PROJECT_SUMMARY classroom is critical, because the school classroom environment could PR:PROJECT_SUMMARY potentially be considered as an effective target for prevention of inner-city PR:PROJECT_SUMMARY asthma morbidity by reducing exposures to many symptomatic children through PR:PROJECT_SUMMARY school- based interventions. While the potential importance of the classroom PR:PROJECT_SUMMARY environment to the health of asthmatic children has been recognized nationally, PR:PROJECT_SUMMARY study of this area has lacking. This unique application will build on PR:PROJECT_SUMMARY significant collaborations between the Channing Laboratory at the Brigham and PR:PROJECT_SUMMARY Women's Hospital, Children's Hospital Boston, the Harvard School of Public PR:PROJECT_SUMMARY Health, the University of Massachusetts Amherst, and the Boston Public School PR:PROJECT_SUMMARY System. Our multidisciplinary research group has significant expertise in asthma PR:PROJECT_SUMMARY epidemiology and environmental epidemiology (Drs. Phipatanakul and Gold), PR:PROJECT_SUMMARY environmental assessment (Drs. Phipatanakul, Gold, Muilenberg, and Rogers), and PR:PROJECT_SUMMARY statistics (Drs. Ryan, Hoffman, and Subramanian). In addition to its public PR:PROJECT_SUMMARY health relevance, this proposal will recruit a unique school pediatric cohort PR:PROJECT_SUMMARY that will facilitate future hypothesis testing. PUBLIC HEALTH RELEVANCE: Asthma PR:PROJECT_SUMMARY is a disease that affects more than 12% of Americans under the age of 18 for PR:PROJECT_SUMMARY over 14 million missed school days per year, and is the number one cause of PR:PROJECT_SUMMARY school absences in America. Elementary school children spend 6 to 10 hours a day PR:PROJECT_SUMMARY in school, and most of that time is spent in one classroom. The goals of this PR:PROJECT_SUMMARY project are to provide an understanding of exposure risk factors specific to the PR:PROJECT_SUMMARY classroom. This is critical, because the classroom environment could potentially PR:PROJECT_SUMMARY be considered as an effective target for prevention of inner-city asthma PR:PROJECT_SUMMARY morbidity by reducing exposures to many symptomatic children through an PR:PROJECT_SUMMARY intervention in the school classrooms.; SICAS 2: Asthma is the most common PR:PROJECT_SUMMARY chronic disease of childhood in the United States, causes significant morbidity, PR:PROJECT_SUMMARY particularly in the inner-city, and accounts for billions of dollars in health PR:PROJECT_SUMMARY care utilization, despite aggressive measures to identify remediable causes. PR:PROJECT_SUMMARY Home environments are established sources of exposure that exacerbate symptoms PR:PROJECT_SUMMARY and home-based interventions are proven effective. Prior to the inception of the PR:PROJECT_SUMMARY School Inner-City Asthma Study (SICAS-1), no American study had comprehensively PR:PROJECT_SUMMARY evaluated the relationship between urban exposures in school, classroom, and PR:PROJECT_SUMMARY home environments and asthma morbidity. Nearly all elementary school children PR:PROJECT_SUMMARY spend 6 to 10 hours a day in school, and most of that time is spent in one PR:PROJECT_SUMMARY classroom. From SICAS-1, we learned that student classroom-specific mouse PR:PROJECT_SUMMARY allergen, mold, and particulate pollutant exposure is associated with worsening PR:PROJECT_SUMMARY symptoms. We also demonstrated our ability to reduce these exposures in a busy, PR:PROJECT_SUMMARY school setting. Our proposal builds upon our established, successful PR:PROJECT_SUMMARY school-based infrastructure to determine whether a school/classroom intervention PR:PROJECT_SUMMARY will efficiently and effectively improve asthma morbidity by reducing these PR:PROJECT_SUMMARY exposures. Our goal is to determine the efficacy of school/classroom based PR:PROJECT_SUMMARY environmental intervention in reducing asthma morbidity in urban schoolchildren. PR:PROJECT_SUMMARY Our central hypothesis is that reducing classroom/school exposure to mouse PR:PROJECT_SUMMARY allergen, mold, and particulate pollutants will decrease asthma morbidity in PR:PROJECT_SUMMARY students with asthma. We plan to test this hypothesis in an intervention study PR:PROJECT_SUMMARY of 300 elementary students with asthma from multiple classrooms in 40 Boston PR:PROJECT_SUMMARY inner-city elementary schools. Our clinical trial aims are to determine the PR:PROJECT_SUMMARY effectiveness of a school/classroom based environmental intervention (school PR:PROJECT_SUMMARY integrated pest management and classroom air purifying filter units within these PR:PROJECT_SUMMARY schools) to reduce asthma morbidity.This study is an unprecedented, high impact PR:PROJECT_SUMMARY opportunity to test whether we can efficiently benefit a community of children PR:PROJECT_SUMMARY in the school environment as opposed to individuals in single homes. It also PR:PROJECT_SUMMARY adds a novel mechanistic application on health outcomes. It efficiently tackles PR:PROJECT_SUMMARY a critical public health problem that affects a growing proportion of PR:PROJECT_SUMMARY disadvantaged, urban U.S. children. PR:INSTITUTE Boston Children's Hospital, Harvard Medical School PR:LABORATORY Dr. Wanda Phipatanakul Laboratory PR:LAST_NAME Phipatanakul PR:FIRST_NAME Wanda PR:ADDRESS 300 Longwood Avenue, Boston, MA 02155 PR:EMAIL wanda.phipatanakul@childrens.harvard.edu PR:PHONE 617-970-1050 PR:FUNDING_SOURCE NIH/NIAID, R01 AI 073964 (SICAS 1) U01 AI 110397 (SICAS 2) PR:CONTRIBUTORS Wanda Phipatanakul, Marissa Hauptman, Robert Wright, Lauren Petrick, Douglas PR:CONTRIBUTORS Walker, Manish Arora #STUDY ST:STUDY_TITLE Pediatric Inner-City Environmental Exposures at School and Home and Asthma Study ST:STUDY_TYPE CHEAR Study ST:STUDY_SUMMARY SICAS 1 and SICAS 2 have extraordinary opportunity to evaluate the role of diet, ST:STUDY_SUMMARY environmental exposures and asthma in the context of school and home specific ST:STUDY_SUMMARY exposures and capitalize on all the data we are already collecting. Asthma ST:STUDY_SUMMARY affects 25 million Americans, particularly urban minority children. Children ST:STUDY_SUMMARY spend nearly all day in school, yet little is known about the role of a ST:STUDY_SUMMARY child’s exposure to widely disseminated industrial chemicals on asthma ST:STUDY_SUMMARY morbidity. Early animal models and population studies have begun to identify an ST:STUDY_SUMMARY association between phenolic chemical exposure and asthma development through ST:STUDY_SUMMARY proposed increased regulation of an individual’s allergic immune response. ST:STUDY_SUMMARY This study, nested within a school-based environmental intervention trial, ST:STUDY_SUMMARY (School Inner-City Asthma Intervention Study, SICAS2) , will enable urinary ST:STUDY_SUMMARY biomarker analyses during a school-based academic year-long environmental ST:STUDY_SUMMARY intervention trial to analyze the source and impact of exposures on urinary ST:STUDY_SUMMARY environmental exposure biomarker levels as well as the relationship between ST:STUDY_SUMMARY these biomarkers levels and asthma morbidity. We are poised to leverage the ST:STUDY_SUMMARY clinical and exposure data being collected in the clinical trial and generate ST:STUDY_SUMMARY cross-sectional urinary phenol biomarker data (at baseline) within the resources ST:STUDY_SUMMARY of CHEAR. If successful, our study will assess the impact of exposures on these ST:STUDY_SUMMARY biomarker levels and the impact that these exposures have on asthma morbidity, ST:STUDY_SUMMARY controlling comprehensively for other personal, home, and school environmental ST:STUDY_SUMMARY factors associated with asthma outcomes. We hypothesize that exposure to ST:STUDY_SUMMARY environmental exposures (e.g. phenols, phthalates, environmental tobacco smoke) ST:STUDY_SUMMARY in urban school children and higher urinary biomarkers will preliminarily be ST:STUDY_SUMMARY associated with higher asthma morbidity. Specific aims are: Aim 1. To determine ST:STUDY_SUMMARY the source of exposure to environmental exposures (e.g. phenols, phthalates, ST:STUDY_SUMMARY environmental tobacco smoke) in inner-city school children as assessed by ST:STUDY_SUMMARY questionnaire, product use assessment and comprehensive school and home ST:STUDY_SUMMARY environmental assessment of children with physician-diagnosed asthma. Aim 2. To ST:STUDY_SUMMARY determine whether urinary phenol/phathalate/cotinine biomarkers are associated ST:STUDY_SUMMARY with asthma control (e.g. asthma symptoms, such as asthma-related symptom days ST:STUDY_SUMMARY (primary outcome), and other phenotypes of asthma/allergic symptoms and ST:STUDY_SUMMARY inflammation such as allergic sensitization, health care utilization and ST:STUDY_SUMMARY pulmonary lung function ST:INSTITUTE Icahn School of Medicine at Mount Sinai ST:DEPARTMENT Department of Environmental Medicine and Public Health ST:LABORATORY Mount Sinai CHEAR Untargeted Laboratory Hub ST:LAST_NAME Walker ST:FIRST_NAME Douglas ST:ADDRESS Atran Building RM AB3-39, 1428 Madison Ave ST:EMAIL douglas.walker@mssm.edu ST:PHONE 212-241-4392 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b1_014 Analysis type:Matrix Blank Sample_Run_Order=1; 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RPN_Filename=GD_062_18S005UR0035A02_RPN_B1; ZHP_Filename=GD_063_18S005UR0035D02_ZHP_DB1; Batch=1; Batch_Run_Order=62; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWE6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=50; RPN_Filename=GD_063_18S005UR0036A02_RPN_B1; ZHP_Filename=GD_064_18S005UR0036D02_ZHP_DB1; Batch=1; Batch_Run_Order=63; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FV86-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=51; RPN_Filename=GD_064_18S005UR0037A02_RPN_B1; ZHP_Filename=GD_065_18S005UR0037D02_ZHP_DB1; Batch=1; Batch_Run_Order=64; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTA8-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=52; RPN_Filename=GD_065_18S005UR0038A02_RPN_B1; ZHP_Filename=GD_066_18S005UR0038D02_ZHP_DB1; Batch=1; Batch_Run_Order=65; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUQ2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=53; RPN_Filename=GD_066_18S005UR0039A02_RPN_B1; ZHP_Filename=GD_067_18S005UR0039D02_ZHP_DB1; Batch=1; Batch_Run_Order=66; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTN9-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=54; RPN_Filename=GD_067_18S005UR0040A02_RPN_B1; ZHP_Filename=GD_068_18S005UR0040D02_ZHP_DB1; Batch=1; Batch_Run_Order=67; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b1_068 Analysis type:CHEAR Pooled Urine Sample_Run_Order=55; RPN_Filename=GD_068_UT4_RPN_B1; ZHP_Filename=GD_069_UTD1_ZHP_DB1; Batch=1; Batch_Run_Order=68; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b1_069 Analysis type:Study Pooled QC Sample_Run_Order=56; RPN_Filename=GD_069_LQC31_RPN_B1; ZHP_Filename=GD_070_LQCD6_ZHP_DB1; Batch=1; Batch_Run_Order=69; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FS97-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=57; RPN_Filename=GD_070_18S005UR0041A02_RPN_B1; ZHP_Filename=GD_071_18S005UR0041D02_ZHP_DB1; Batch=1; Batch_Run_Order=70; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FV60-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=58; RPN_Filename=GD_071_18S005UR0042A02_RPN_B1; ZHP_Filename=GD_072_18S005UR0042D02_ZHP_DB1; Batch=1; Batch_Run_Order=71; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUL3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=59; RPN_Filename=GD_072_18S005UR0043A02_RPN_B1; ZHP_Filename=GD_073_18S005UR0043D02_ZHP_DB1; Batch=1; Batch_Run_Order=72; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSS9-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=60; RPN_Filename=GD_073_18S005UR0044A02_RPN_B1; ZHP_Filename=GD_074_18S005UR0044D02_ZHP_DB1; Batch=1; Batch_Run_Order=73; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSJ9-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=61; RPN_Filename=GD_074_18S005UR0045A02_RPN_B1; ZHP_Filename=GD_075_18S005UR0045D02_ZHP_DB1; Batch=1; Batch_Run_Order=74; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FS22-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=62; RPN_Filename=GD_075_18S005UR0046A02_RPN_B1; ZHP_Filename=GD_076_18S005UR0046D02_ZHP_DB1; Batch=1; Batch_Run_Order=75; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FS14-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=63; RPN_Filename=GD_076_18S005UR0047A02_RPN_B1; ZHP_Filename=GD_077_18S005UR0047D02_ZHP_DB1; Batch=1; Batch_Run_Order=76; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTX7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=64; RPN_Filename=GD_077_18S005UR0048A02_RPN_B1; ZHP_Filename=GD_078_18S005UR0048D02_ZHP_DB1; Batch=1; Batch_Run_Order=77; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FV29-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=65; RPN_Filename=GD_078_18S005UR0049A02_RPN_B1; ZHP_Filename=GD_079_18S005UR0049D02_ZHP_DB1; Batch=1; Batch_Run_Order=78; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FS55-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=66; RPN_Filename=GD_079_18S005UR0050A02_RPN_B1; ZHP_Filename=GD_080_18S005UR0050D02_ZHP_DB1; Batch=1; Batch_Run_Order=79; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b1_080 Analysis type:Study Pooled QC Sample_Run_Order=67; RPN_Filename=GD_080_LQC32_RPN_B1; ZHP_Filename=GD_081_LQCD7_ZHP_DB1; Batch=1; Batch_Run_Order=80; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVC2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=68; RPN_Filename=GD_081_18S005UR0051A02_RPN_B1; ZHP_Filename=GD_082_18S005UR0051D02_ZHP_DB1; Batch=1; Batch_Run_Order=81; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRU6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=69; RPN_Filename=GD_082_18S005UR0052A02_RPN_B1; ZHP_Filename=GD_083_18S005UR0052D02_ZHP_DB1; Batch=1; Batch_Run_Order=82; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FW44-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=70; RPN_Filename=GD_083_18S005UR0053A02_RPN_B1; ZHP_Filename=GD_084_18S005UR0053D02_ZHP_DB1; Batch=1; Batch_Run_Order=83; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWN6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=71; RPN_Filename=GD_084_18S005UR0054A02_RPN_B1; ZHP_Filename=GD_085_18S005UR0054D02_ZHP_DB1; Batch=1; Batch_Run_Order=84; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRW2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=72; RPN_Filename=GD_085_18S005UR0055A02_RPN_B1; ZHP_Filename=GD_086_18S005UR0055D02_ZHP_DB1; Batch=1; Batch_Run_Order=85; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUR0-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=73; RPN_Filename=GD_086_18S005UR0056A02_RPN_B1; ZHP_Filename=GD_087_18S005UR0056D02_ZHP_DB1; Batch=1; Batch_Run_Order=86; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSC5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=74; RPN_Filename=GD_087_18S005UR0057A02_RPN_B1; ZHP_Filename=GD_088_18S005UR0057D02_ZHP_DB1; Batch=1; Batch_Run_Order=87; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWH0-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=75; RPN_Filename=GD_088_18S005UR0058A02_RPN_B1; ZHP_Filename=GD_089_18S005UR0058D02_ZHP_DB1; Batch=1; Batch_Run_Order=88; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSG6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=76; RPN_Filename=GD_089_18S005UR0059A02_RPN_B1; ZHP_Filename=GD_090_18S005UR0059D02_ZHP_DB1; Batch=1; Batch_Run_Order=89; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTT6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=77; RPN_Filename=GD_090_18S005UR0060A02_RPN_B1; ZHP_Filename=GD_091_18S005UR0060D02_ZHP_DB1; Batch=1; Batch_Run_Order=90; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b1_091 Analysis type:CHEAR Pooled Urine Sample_Run_Order=78; RPN_Filename=GD_091_UT4_RPN_B1; ZHP_Filename=GD_092_UTD1_ZHP_DB1; Batch=1; Batch_Run_Order=91; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b1_092 Analysis type:Study Pooled QC Sample_Run_Order=79; RPN_Filename=GD_092_LQC33_RPN_B1; ZHP_Filename=GD_093_LQCD8_ZHP_DB1; Batch=1; Batch_Run_Order=92; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTL4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=80; RPN_Filename=GD_093_18S005UR0061A02_RPN_B1; ZHP_Filename=GD_094_18S005UR0061D02_ZHP_DB1; Batch=1; Batch_Run_Order=93; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWL1-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=81; RPN_Filename=GD_094_18S005UR0062A02_RPN_B1; ZHP_Filename=GD_095_18S005UR0062D02_ZHP_DB1; Batch=1; Batch_Run_Order=94; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSX8-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=82; RPN_Filename=GD_095_18S005UR0063A02_RPN_B1; ZHP_Filename=GD_096_18S005UR0063D02_ZHP_DB1; Batch=1; Batch_Run_Order=95; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FST7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=83; RPN_Filename=GD_096_18S005UR0064A02_RPN_B1; ZHP_Filename=GD_097_18S005UR0064D02_ZHP_DB1; Batch=1; Batch_Run_Order=96; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTK6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=84; RPN_Filename=GD_097_18S005UR0065A02_RPN_B1; ZHP_Filename=GD_098_18S005UR0065D02_ZHP_DB1; Batch=1; Batch_Run_Order=97; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b1_098 Analysis type:CHEAR Pooled Urine Sample_Run_Order=85; RPN_Filename=GD_098_UT4_RPN_B1; ZHP_Filename=GD_099_UTD1_ZHP_DB1; Batch=1; Batch_Run_Order=98; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b1_099 Analysis type:Study Pooled QC Sample_Run_Order=86; RPN_Filename=GD_099_LQC33_RPN_B1; ZHP_Filename=GD_100_LQCD8_ZHP_DB1; Batch=1; Batch_Run_Order=99; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b1_106 Analysis type:Matrix Blank Sample_Run_Order=87; RPN_Filename=GD_106_matrix4_RPN_B1; ZHP_Filename=GD_107_matrix1_ZHP_DB1; Batch=1; Batch_Run_Order=106; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b1_107 Analysis type:Matrix Blank Sample_Run_Order=88; RPN_Filename=GD_107_matrix4_RPN_B1; ZHP_Filename=GD_108_matrix1_ZHP_DB1; Batch=1; Batch_Run_Order=107; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b1_108 Analysis type:Matrix Blank Sample_Run_Order=89; RPN_Filename=GD_108_matrix4_RPN_B1; ZHP_Filename=GD_109_matrix1_ZHP_DB1; Batch=1; Batch_Run_Order=108; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b2_014 Analysis type:Matrix Blank Sample_Run_Order=90; RPN_Filename=GD_014_matrix5_RPN_B2; ZHP_Filename=GD_014_matrix2_ZHP_DB2; Batch=2; Batch_Run_Order=14; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b2_015 Analysis type:Matrix Blank Sample_Run_Order=91; RPN_Filename=GD_015_matrix5_RPN_B2; ZHP_Filename=GD_015_matrix2_ZHP_DB2; Batch=2; Batch_Run_Order=15; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b2_016 Analysis type:Matrix Blank Sample_Run_Order=92; RPN_Filename=GD_016_matrix5_RPN_B2; ZHP_Filename=GD_016_matrix2_ZHP_DB2; Batch=2; Batch_Run_Order=16; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - NIST_SRM_3672_b2_017 Analysis type:NIST Smoker's Urine Sample_Run_Order=93; RPN_Filename=GD_017_NISTsmoker5_RPN_B2; ZHP_Filename=GD_017_NIST3672D2_ZHP_DB2; Batch=2; Batch_Run_Order=17; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - NIST_SRM_3672_b2_018 Analysis type:NIST Smoker's Urine Sample_Run_Order=94; RPN_Filename=GD_018_NISTsmoker5_RPN_B2; ZHP_Filename=GD_018_NIST3672D2_ZHP_DB2; Batch=2; Batch_Run_Order=18; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - NIST_SRM_3672_b2_019 Analysis type:NIST Smoker's Urine Sample_Run_Order=95; RPN_Filename=GD_019_NISTsmoker5_RPN_B2; ZHP_Filename=GD_019_NIST3672D2_ZHP_DB2; Batch=2; Batch_Run_Order=19; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b2_020 Analysis type:CHEAR Pooled Urine Sample_Run_Order=96; RPN_Filename=GD_020_UT5_RPN_B2; ZHP_Filename=GD_020_UTD2_ZHP_DB2; Batch=2; Batch_Run_Order=20; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b2_021 Analysis type:CHEAR Pooled Urine Sample_Run_Order=97; RPN_Filename=GD_021_UT5_RPN_B2; ZHP_Filename=GD_021_UTD2_ZHP_DB2; Batch=2; Batch_Run_Order=21; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b2_022 Analysis type:Study Pooled QC Sample_Run_Order=98; RPN_Filename=GD_022_LQC35_RPN_B2; ZHP_Filename=GD_023_LQCD10_ZHP_DB2; Batch=2; Batch_Run_Order=22; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b2_023 Analysis type:Study Pooled QC Sample_Run_Order=99; RPN_Filename=GD_023_LQC35_RPN_B2; ZHP_Filename=GD_024_LQCD10_ZHP_DB2; Batch=2; Batch_Run_Order=23; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FS71-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=100; RPN_Filename=GD_024_18S005UR0066A02_RPN_B2; ZHP_Filename=GD_025_18S005UR0066D02_ZHP_DB2; Batch=2; Batch_Run_Order=24; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVV0-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=101; RPN_Filename=GD_025_18S005UR0067A02_RPN_B2; ZHP_Filename=GD_026_18S005UR0067D02_ZHP_DB2; Batch=2; Batch_Run_Order=25; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FU95-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=102; RPN_Filename=GD_026_18S005UR0068A02_RPN_B2; ZHP_Filename=GD_027_18S005UR0068D02_ZHP_DB2; Batch=2; Batch_Run_Order=26; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FT13-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=103; RPN_Filename=GD_027_18S005UR0069A02_RPN_B2; ZHP_Filename=GD_028_18S005UR0069D02_ZHP_DB2; Batch=2; Batch_Run_Order=27; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FV11-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=104; RPN_Filename=GD_028_18S005UR0070A02_RPN_B2; ZHP_Filename=GD_029_18S005UR0070D02_ZHP_DB2; Batch=2; Batch_Run_Order=28; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUC3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=105; RPN_Filename=GD_029_18S005UR0071A02_RPN_B2; ZHP_Filename=GD_030_18S005UR0071D02_ZHP_DB2; Batch=2; Batch_Run_Order=29; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUG4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=106; RPN_Filename=GD_030_18S005UR0072A02_RPN_B2; ZHP_Filename=GD_031_18S005UR0072D02_ZHP_DB2; Batch=2; Batch_Run_Order=30; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTD1-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=107; RPN_Filename=GD_031_18S005UR0073A02_RPN_B2; ZHP_Filename=GD_032_18S005UR0073D02_ZHP_DB2; Batch=2; Batch_Run_Order=31; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRH5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=108; RPN_Filename=GD_032_18S005UR0074A02_RPN_B2; ZHP_Filename=GD_033_18S005UR0074D02_ZHP_DB2; Batch=2; Batch_Run_Order=32; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FU87-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=109; RPN_Filename=GD_033_18S005UR0075A02_RPN_B2; ZHP_Filename=GD_034_18S005UR0075D02_ZHP_DB2; Batch=2; Batch_Run_Order=33; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b2_034 Analysis type:Study Pooled QC Sample_Run_Order=110; RPN_Filename=GD_034_LQC36_RPN_B2; ZHP_Filename=GD_035_LQCD11_ZHP_DB2; Batch=2; Batch_Run_Order=34; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FT70-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=111; RPN_Filename=GD_035_18S005UR0076A02_RPN_B2; ZHP_Filename=GD_036_18S005UR0076D02_ZHP_DB2; Batch=2; Batch_Run_Order=35; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVN7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=112; RPN_Filename=GD_036_18S005UR0077A02_RPN_B2; ZHP_Filename=GD_037_18S005UR0077D02_ZHP_DB2; Batch=2; Batch_Run_Order=36; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FV03-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=113; RPN_Filename=GD_037_18S005UR0078A02_RPN_B2; ZHP_Filename=GD_038_18S005UR0078D02_ZHP_DB2; Batch=2; Batch_Run_Order=37; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVR9-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=114; RPN_Filename=GD_038_18S005UR0079A02_RPN_B2; ZHP_Filename=GD_039_18S005UR0079D02_ZHP_DB2; Batch=2; Batch_Run_Order=38; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FU12-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=115; RPN_Filename=GD_039_18S005UR0080A02_RPN_B2; ZHP_Filename=GD_040_18S005UR0080D02_ZHP_DB2; Batch=2; Batch_Run_Order=39; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTQ3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=116; RPN_Filename=GD_040_18S005UR0081A02_RPN_B2; ZHP_Filename=GD_041_18S005UR0081D02_ZHP_DB2; Batch=2; Batch_Run_Order=40; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FT62-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=117; RPN_Filename=GD_041_18S005UR0082A02_RPN_B2; ZHP_Filename=GD_042_18S005UR0082D02_ZHP_DB2; Batch=2; Batch_Run_Order=41; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FS89-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=118; RPN_Filename=GD_042_18S005UR0083A02_RPN_B2; ZHP_Filename=GD_043_18S005UR0083D02_ZHP_DB2; Batch=2; Batch_Run_Order=42; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FS06-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=119; RPN_Filename=GD_043_18S005UR0084A02_RPN_B2; ZHP_Filename=GD_044_18S005UR0084D02_ZHP_DB2; Batch=2; Batch_Run_Order=43; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FT05-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=120; RPN_Filename=GD_044_18S005UR0085A02_RPN_B2; ZHP_Filename=GD_045_18S005UR0085D02_ZHP_DB2; Batch=2; Batch_Run_Order=44; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b2_045 Analysis type:CHEAR Pooled Urine Sample_Run_Order=121; RPN_Filename=GD_045_UT5_RPN_B2; ZHP_Filename=GD_046_UTD2_ZHP_DB2; Batch=2; Batch_Run_Order=45; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b2_046 Analysis type:Study Pooled QC Sample_Run_Order=122; RPN_Filename=GD_046_LQC37_RPN_B2; ZHP_Filename=GD_047_LQCD12_ZHP_DB2; Batch=2; Batch_Run_Order=46; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWW7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=123; RPN_Filename=GD_047_18S005UR0086A02_RPN_B2; ZHP_Filename=GD_048_18S005UR0086D02_ZHP_DB2; Batch=2; Batch_Run_Order=47; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FV45-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=124; RPN_Filename=GD_048_18S005UR0087A02_RPN_B2; ZHP_Filename=GD_049_18S005UR0087D02_ZHP_DB2; Batch=2; Batch_Run_Order=48; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVM0-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=125; RPN_Filename=GD_049_18S005UR0088A02_RPN_B2; ZHP_Filename=GD_050_18S005UR0088D02_ZHP_DB2; Batch=2; Batch_Run_Order=49; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUY4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=126; RPN_Filename=GD_050_18S005UR0089A02_RPN_B2; ZHP_Filename=GD_051_18S005UR0089D02_ZHP_DB2; Batch=2; Batch_Run_Order=50; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FT96-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=127; RPN_Filename=GD_051_18S005UR0090A02_RPN_B2; ZHP_Filename=GD_052_18S005UR0090D02_ZHP_DB2; Batch=2; Batch_Run_Order=51; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTC4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=128; RPN_Filename=GD_052_18S005UR0091A02_RPN_B2; ZHP_Filename=GD_053_18S005UR0091D02_ZHP_DB2; Batch=2; Batch_Run_Order=52; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUB5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=129; RPN_Filename=GD_053_18S005UR0092A02_RPN_B2; ZHP_Filename=GD_054_18S005UR0092D02_ZHP_DB2; Batch=2; Batch_Run_Order=53; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FU61-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=130; RPN_Filename=GD_054_18S005UR0093A02_RPN_B2; ZHP_Filename=GD_055_18S005UR0093D02_ZHP_DB2; Batch=2; Batch_Run_Order=54; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRP7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=131; RPN_Filename=GD_055_18S005UR0094A02_RPN_B2; ZHP_Filename=GD_056_18S005UR0094D02_ZHP_DB2; Batch=2; Batch_Run_Order=55; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUX6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=132; RPN_Filename=GD_056_18S005UR0095A02_RPN_B2; ZHP_Filename=GD_057_18S005UR0095D02_ZHP_DB2; Batch=2; Batch_Run_Order=56; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b2_057 Analysis type:Study Pooled QC Sample_Run_Order=133; RPN_Filename=GD_057_LQC38_RPN_B2; ZHP_Filename=GD_058_LQCD13_ZHP_DB2; Batch=2; Batch_Run_Order=57; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTM2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=134; RPN_Filename=GD_058_18S005UR0096A02_RPN_B2; ZHP_Filename=GD_059_18S005UR0096D02_ZHP_DB2; Batch=2; Batch_Run_Order=58; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FU79-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=135; RPN_Filename=GD_059_18S005UR0097A02_RPN_B2; ZHP_Filename=GD_060_18S005UR0097D02_ZHP_DB2; Batch=2; Batch_Run_Order=59; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTU4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=136; RPN_Filename=GD_060_18S005UR0098A02_RPN_B2; ZHP_Filename=GD_061_18S005UR0098D02_ZHP_DB2; Batch=2; Batch_Run_Order=60; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVB4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=137; RPN_Filename=GD_061_18S005UR0099A02_RPN_B2; ZHP_Filename=GD_062_18S005UR0099D02_ZHP_DB2; Batch=2; Batch_Run_Order=61; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUM1-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=138; RPN_Filename=GD_062_18S005UR0100A02_RPN_B2; ZHP_Filename=GD_063_18S005UR0100D02_ZHP_DB2; Batch=2; Batch_Run_Order=62; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVH1-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=139; RPN_Filename=GD_063_18S005UR0101A02_RPN_B2; ZHP_Filename=GD_064_18S005UR0101D02_ZHP_DB2; Batch=2; Batch_Run_Order=63; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTW0-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=140; RPN_Filename=GD_064_18S005UR0102A02_RPN_B2; ZHP_Filename=GD_065_18S005UR0102D02_ZHP_DB2; Batch=2; Batch_Run_Order=64; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUE8-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=141; RPN_Filename=GD_065_18S005UR0103A02_RPN_B2; ZHP_Filename=GD_066_18S005UR0103D02_ZHP_DB2; Batch=2; Batch_Run_Order=65; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FV78-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=142; RPN_Filename=GD_066_18S005UR0104A02_RPN_B2; ZHP_Filename=GD_067_18S005UR0104D02_ZHP_DB2; Batch=2; Batch_Run_Order=66; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRQ5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=143; RPN_Filename=GD_067_18S005UR0105A02_RPN_B2; ZHP_Filename=GD_068_18S005UR0105D02_ZHP_DB2; Batch=2; Batch_Run_Order=67; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b2_068 Analysis type:CHEAR Pooled Urine Sample_Run_Order=144; RPN_Filename=GD_068_UT5_RPN_B2; ZHP_Filename=GD_069_UTD2_ZHP_DB2; Batch=2; Batch_Run_Order=68; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b2_069 Analysis type:Study Pooled QC Sample_Run_Order=145; RPN_Filename=GD_069_LQC39_RPN_B2; ZHP_Filename=GD_070_LQCD14_ZHP_DB2; Batch=2; Batch_Run_Order=69; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVW8-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=146; RPN_Filename=GD_070_18S005UR0106A02_RPN_B2; ZHP_Filename=GD_071_18S005UR0106D02_ZHP_DB2; Batch=2; Batch_Run_Order=70; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVP3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=147; RPN_Filename=GD_071_18S005UR0107A02_RPN_B2; ZHP_Filename=GD_072_18S005UR0107D02_ZHP_DB2; Batch=2; Batch_Run_Order=71; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUF6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=148; RPN_Filename=GD_072_18S005UR0108A02_RPN_B2; ZHP_Filename=GD_073_18S005UR0108D02_ZHP_DB2; Batch=2; Batch_Run_Order=72; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRE1-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=149; RPN_Filename=GD_073_18S005UR0109A02_RPN_B2; ZHP_Filename=GD_074_18S005UR0109D02_ZHP_DB2; Batch=2; Batch_Run_Order=73; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWB3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=150; RPN_Filename=GD_074_18S005UR0110A02_RPN_B2; ZHP_Filename=GD_075_18S005UR0110D02_ZHP_DB2; Batch=2; Batch_Run_Order=74; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSV3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=151; RPN_Filename=GD_075_18S005UR0111A02_RPN_B2; ZHP_Filename=GD_076_18S005UR0111D02_ZHP_DB2; Batch=2; Batch_Run_Order=75; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FS63-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=152; RPN_Filename=GD_076_18S005UR0112A02_RPN_B2; ZHP_Filename=GD_077_18S005UR0112D02_ZHP_DB2; Batch=2; Batch_Run_Order=76; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRL6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=153; RPN_Filename=GD_077_18S005UR0113A02_RPN_B2; ZHP_Filename=GD_078_18S005UR0113D02_ZHP_DB2; Batch=2; Batch_Run_Order=77; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVY3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=154; RPN_Filename=GD_078_18S005UR0114A02_RPN_B2; ZHP_Filename=GD_079_18S005UR0114D02_ZHP_DB2; Batch=2; Batch_Run_Order=78; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSQ4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=155; RPN_Filename=GD_079_18S005UR0115A02_RPN_B2; ZHP_Filename=GD_080_18S005UR0115D02_ZHP_DB2; Batch=2; Batch_Run_Order=79; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b2_080 Analysis type:Study Pooled QC Sample_Run_Order=156; RPN_Filename=GD_080_LQC40_RPN_B2; ZHP_Filename=GD_081_LQCD15_ZHP_DB2; Batch=2; Batch_Run_Order=80; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRX9-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=157; RPN_Filename=GD_081_18S005UR0116A02_RPN_B2; ZHP_Filename=GD_082_18S005UR0116D02_ZHP_DB2; Batch=2; Batch_Run_Order=81; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWU1-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=158; RPN_Filename=GD_082_18S005UR0117A02_RPN_B2; ZHP_Filename=GD_083_18S005UR0117D02_ZHP_DB2; Batch=2; Batch_Run_Order=82; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRG7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=159; RPN_Filename=GD_083_18S005UR0118A02_RPN_B2; ZHP_Filename=GD_084_18S005UR0118D02_ZHP_DB2; Batch=2; Batch_Run_Order=83; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FT21-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=160; RPN_Filename=GD_084_18S005UR0119A02_RPN_B2; ZHP_Filename=GD_085_18S005UR0119D02_ZHP_DB2; Batch=2; Batch_Run_Order=84; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTV2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=161; RPN_Filename=GD_085_18S005UR0120A02_RPN_B2; ZHP_Filename=GD_086_18S005UR0120D02_ZHP_DB2; Batch=2; Batch_Run_Order=85; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWD8-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=162; RPN_Filename=GD_086_18S005UR0121A02_RPN_B2; ZHP_Filename=GD_087_18S005UR0121D02_ZHP_DB2; Batch=2; Batch_Run_Order=86; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSM3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=163; RPN_Filename=GD_087_18S005UR0122A02extractRem_RPN_B2; ZHP_Filename=GD_088_18S005UR0122D02_ZHP_DB2; Batch=2; Batch_Run_Order=87; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUK5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=164; RPN_Filename=GD_088_18S005UR0123A02_RPN_B2; ZHP_Filename=GD_089_18S005UR0123D02_ZHP_DB2; Batch=2; Batch_Run_Order=88; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVK4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=165; RPN_Filename=GD_089_18S005UR0124A02_RPN_B2; ZHP_Filename=GD_090_18S005UR0124D02_ZHP_DB2; Batch=2; Batch_Run_Order=89; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSH4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=166; RPN_Filename=GD_090_18S005UR0125A02_RPN_B2; ZHP_Filename=GD_091_18S005UR0125D02_ZHP_DB2; Batch=2; Batch_Run_Order=90; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b2_091 Analysis type:CHEAR Pooled Urine Sample_Run_Order=167; RPN_Filename=GD_091_UT5_RPN_B2; ZHP_Filename=GD_092_UTD2_ZHP_DB2; Batch=2; Batch_Run_Order=91; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b2_092 Analysis type:Study Pooled QC Sample_Run_Order=168; RPN_Filename=GD_092_LQC41_RPN_B2; ZHP_Filename=GD_093_LQCD16_ZHP_DB2; Batch=2; Batch_Run_Order=92; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSA9-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=169; RPN_Filename=GD_093_18S005UR0126A02_RPN_B2; ZHP_Filename=GD_094_18S005UR0126D02_ZHP_DB2; Batch=2; Batch_Run_Order=93; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FV37-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=170; RPN_Filename=GD_094_18S005UR0127A02_RPN_B2; ZHP_Filename=GD_095_18S005UR0127D02_ZHP_DB2; Batch=2; Batch_Run_Order=94; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSR2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=171; RPN_Filename=GD_095_18S005UR0128A02_RPN_B2; ZHP_Filename=GD_096_18S005UR0128D02_ZHP_DB2; Batch=2; Batch_Run_Order=95; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FW93-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=172; RPN_Filename=GD_096_18S005UR0129A02_RPN_B2; ZHP_Filename=GD_097_18S005UR0129D02_ZHP_DB2; Batch=2; Batch_Run_Order=96; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVF5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=173; RPN_Filename=GD_097_18S005UR0130A02extractRem_RPN_B2; ZHP_Filename=GD_098_18S005UR0130D02_ZHP_DB2; Batch=2; Batch_Run_Order=97; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b2_098 Analysis type:CHEAR Pooled Urine Sample_Run_Order=174; RPN_Filename=GD_098_UT5_RPN_B2; ZHP_Filename=GD_099_UTD2_ZHP_DB2; Batch=2; Batch_Run_Order=98; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b2_099 Analysis type:Study Pooled QC Sample_Run_Order=175; RPN_Filename=GD_099_LQC42_RPN_B2; ZHP_Filename=GD_100_LQCD16_ZHP_DB2; Batch=2; Batch_Run_Order=99; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b2_106 Analysis type:Matrix Blank Sample_Run_Order=176; RPN_Filename=GD_106_matrix5_RPN_B2; ZHP_Filename=GD_107_matrix2_ZHP_DB2; Batch=2; Batch_Run_Order=106; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b2_107 Analysis type:Matrix Blank Sample_Run_Order=177; RPN_Filename=GD_107_matrix5_RPN_B2; ZHP_Filename=GD_108_matrix2_ZHP_DB2; Batch=2; Batch_Run_Order=107; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b2_108 Analysis type:Matrix Blank Sample_Run_Order=178; RPN_Filename=GD_108_matrix5_RPN_B2; ZHP_Filename=GD_109_matrix2_ZHP_DB2; Batch=2; Batch_Run_Order=108; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b3_014 Analysis type:Matrix Blank Sample_Run_Order=179; RPN_Filename=GD_014_matrix6_RPN_B3; ZHP_Filename=GD_014_matrix3_ZHP_DB3; Batch=3; Batch_Run_Order=14; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b3_015 Analysis type:Matrix Blank Sample_Run_Order=180; RPN_Filename=GD_015_matrix6_RPN_B3; ZHP_Filename=GD_015_matrix3_ZHP_DB3; Batch=3; Batch_Run_Order=15; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b3_016 Analysis type:Matrix Blank Sample_Run_Order=181; RPN_Filename=GD_016_matrix6_RPN_B3; ZHP_Filename=GD_016_matrix3_ZHP_DB3; Batch=3; Batch_Run_Order=16; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - NIST_SRM_3672_b3_017 Analysis type:NIST Smoker's Urine Sample_Run_Order=182; RPN_Filename=GD_017_NISTsmoker6_RPN_B3; ZHP_Filename=GD_017_NIST3672D3_ZHP_DB3; Batch=3; Batch_Run_Order=17; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - NIST_SRM_3672_b3_018 Analysis type:NIST Smoker's Urine Sample_Run_Order=183; RPN_Filename=GD_018_NISTsmoker6_RPN_B3; ZHP_Filename=GD_018_NIST3672D3_ZHP_DB3; Batch=3; Batch_Run_Order=18; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - NIST_SRM_3672_b3_019 Analysis type:NIST Smoker's Urine Sample_Run_Order=184; RPN_Filename=GD_019_NISTsmoker6_RPN_B3; ZHP_Filename=GD_019_NIST3672D3_ZHP_DB3; Batch=3; Batch_Run_Order=19; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b3_020 Analysis type:CHEAR Pooled Urine Sample_Run_Order=185; RPN_Filename=GD_020_UT6_RPN_B3; ZHP_Filename=GD_020_UTD3_ZHP_DB3; Batch=3; Batch_Run_Order=20; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b3_021 Analysis type:CHEAR Pooled Urine Sample_Run_Order=186; RPN_Filename=GD_021_UT6_RPN_B3; ZHP_Filename=GD_021_UTD3_ZHP_DB3; Batch=3; Batch_Run_Order=21; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b3_022 Analysis type:Study Pooled QC Sample_Run_Order=187; RPN_Filename=GD_022_LQC44_RPN_B3; ZHP_Filename=GD_023_LQCD18_ZHP_DB3; Batch=3; Batch_Run_Order=22; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b3_023 Analysis type:Study Pooled QC Sample_Run_Order=188; RPN_Filename=GD_023_LQC44_RPN_B3; ZHP_Filename=GD_024_LQCD18_ZHP_DB3; Batch=3; Batch_Run_Order=23; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVQ1-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=189; RPN_Filename=GD_024_18S005UR0131A02_RPN_B3; ZHP_Filename=GD_025_18S005UR0131D02_ZHP_DB3; Batch=3; Batch_Run_Order=24; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVJ6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=190; RPN_Filename=GD_025_18S005UR0132A02_RPN_B3; ZHP_Filename=GD_026_18S005UR0132D02_ZHP_DB3; Batch=3; Batch_Run_Order=25; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSB7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=191; RPN_Filename=GD_026_18S005UR0133A02_RPN_B3; ZHP_Filename=GD_027_18S005UR0133D02_ZHP_DB3; Batch=3; Batch_Run_Order=26; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRM4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=192; RPN_Filename=GD_027_18S005UR0134A02_RPN_B3; ZHP_Filename=GD_028_18S005UR0134D02_ZHP_DB3; Batch=3; Batch_Run_Order=27; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSL5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=193; RPN_Filename=GD_028_18S005UR0135A02_RPN_B3; ZHP_Filename=GD_029_18S005UR0135D02_ZHP_DB3; Batch=3; Batch_Run_Order=28; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWV9-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=194; RPN_Filename=GD_029_18S005UR0136A02_RPN_B3; ZHP_Filename=GD_030_18S005UR0136D02_ZHP_DB3; Batch=3; Batch_Run_Order=29; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWA5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=195; RPN_Filename=GD_030_18S005UR0137A02_RPN_B3; ZHP_Filename=GD_031_18S005UR0137D02_ZHP_DB3; Batch=3; Batch_Run_Order=30; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWM9-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=196; RPN_Filename=GD_031_18S005UR0138A02_RPN_B3; ZHP_Filename=GD_032_18S005UR0138D02_ZHP_DB3; Batch=3; Batch_Run_Order=31; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVX5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=197; RPN_Filename=GD_032_18S005UR0139A02_RPN_B3; ZHP_Filename=GD_033_18S005UR0139D02_ZHP_DB3; Batch=3; Batch_Run_Order=32; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWF4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=198; RPN_Filename=GD_033_18S005UR0140A02_RPN_B3; ZHP_Filename=GD_034_18S005UR0140D02_ZHP_DB3; Batch=3; Batch_Run_Order=33; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b3_034 Analysis type:Study Pooled QC Sample_Run_Order=199; RPN_Filename=GD_034_LQC45_RPN_B3; ZHP_Filename=GD_035_LQCD19_ZHP_DB3; Batch=3; Batch_Run_Order=34; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVU2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=200; RPN_Filename=GD_035_18S005UR0141A02_RPN_B3; ZHP_Filename=GD_036_18S005UR0141D02_ZHP_DB3; Batch=3; Batch_Run_Order=35; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVA6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=201; RPN_Filename=GD_036_18S005UR0142A02_RPN_B3; ZHP_Filename=GD_037_18S005UR0142D02_ZHP_DB3; Batch=3; Batch_Run_Order=36; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSU5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=202; RPN_Filename=GD_037_18S005UR0143A02_RPN_B3; ZHP_Filename=GD_038_18S005UR0143D02_ZHP_DB3; Batch=3; Batch_Run_Order=37; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FT54-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=203; RPN_Filename=GD_038_18S005UR0144A02_RPN_B3; ZHP_Filename=GD_039_18S005UR0144D02_ZHP_DB3; Batch=3; Batch_Run_Order=38; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSY6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=204; RPN_Filename=GD_039_18S005UR0145A02_RPN_B3; ZHP_Filename=GD_040_18S005UR0145D02_ZHP_DB3; Batch=3; Batch_Run_Order=39; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSK7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=205; RPN_Filename=GD_040_18S005UR0146A02_RPN_B3; ZHP_Filename=GD_041_18S005UR0146D02_ZHP_DB3; Batch=3; Batch_Run_Order=40; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVT4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=206; RPN_Filename=GD_041_18S005UR0147A02_RPN_B3; ZHP_Filename=GD_042_18S005UR0147D02_ZHP_DB3; Batch=3; Batch_Run_Order=41; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVE7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=207; RPN_Filename=GD_042_18S005UR0148A02_RPN_B3; ZHP_Filename=GD_043_18S005UR0148D02_ZHP_DB3; Batch=3; Batch_Run_Order=42; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FU04-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=208; RPN_Filename=GD_043_18S005UR0149A02_RPN_B3; ZHP_Filename=GD_044_18S005UR0149D02_ZHP_DB3; Batch=3; Batch_Run_Order=43; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSW1-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=209; RPN_Filename=GD_044_18S005UR0150A02_RPN_B3; ZHP_Filename=GD_045_18S005UR0150D02_ZHP_DB3; Batch=3; Batch_Run_Order=44; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b3_045 Analysis type:CHEAR Pooled Urine Sample_Run_Order=210; RPN_Filename=GD_045_UT6_RPN_B3; ZHP_Filename=GD_046_UTD3_ZHP_DB3; Batch=3; Batch_Run_Order=45; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b3_046 Analysis type:Study Pooled QC Sample_Run_Order=211; RPN_Filename=GD_046_LQC46_RPN_B3; ZHP_Filename=GD_047_LQCD20_ZHP_DB3; Batch=3; Batch_Run_Order=46; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FU46-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=212; RPN_Filename=GD_047_18S005UR0151A02_RPN_B3; ZHP_Filename=GD_048_18S005UR0151D02_ZHP_DB3; Batch=3; Batch_Run_Order=47; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWG2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=213; RPN_Filename=GD_048_18S005UR0152A02_RPN_B3; ZHP_Filename=GD_049_18S005UR0152D02_ZHP_DB3; Batch=3; Batch_Run_Order=48; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRK8-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=214; RPN_Filename=GD_049_18S005UR0153A02_RPN_B3; ZHP_Filename=GD_050_18S005UR0153D02_ZHP_DB3; Batch=3; Batch_Run_Order=49; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRT8-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=215; RPN_Filename=GD_050_18S005UR0154A02_RPN_B3; ZHP_Filename=GD_051_18S005UR0154D02_ZHP_DB3; Batch=3; Batch_Run_Order=50; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FSD2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=216; RPN_Filename=GD_051_18S005UR0155A02_RPN_B3; ZHP_Filename=GD_052_18S005UR0155D02_ZHP_DB3; Batch=3; Batch_Run_Order=51; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTG5-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=217; RPN_Filename=GD_052_18S005UR0156A02_RPN_B3; ZHP_Filename=GD_053_18S005UR0156D02_ZHP_DB3; Batch=3; Batch_Run_Order=52; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUN8-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=218; RPN_Filename=GD_053_18S005UR0157A02_RPN_B3; ZHP_Filename=GD_054_18S005UR0157D02_ZHP_DB3; Batch=3; Batch_Run_Order=53; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUU3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=219; RPN_Filename=GD_054_18S005UR0158A02_RPN_B3; ZHP_Filename=GD_055_18S005UR0158D02_ZHP_DB3; Batch=3; Batch_Run_Order=54; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUP4-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=220; RPN_Filename=GD_055_18S005UR0159A02_RPN_B3; ZHP_Filename=GD_056_18S005UR0159D02_ZHP_DB3; Batch=3; Batch_Run_Order=55; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVS6-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=221; RPN_Filename=GD_056_18S005UR0160A02_RPN_B3; ZHP_Filename=GD_057_18S005UR0160D02_ZHP_DB3; Batch=3; Batch_Run_Order=56; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b3_057 Analysis type:Study Pooled QC Sample_Run_Order=222; RPN_Filename=GD_057_LQC47_RPN_B3; ZHP_Filename=GD_058_LQCD21_ZHP_DB3; Batch=3; Batch_Run_Order=57; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FWK3-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=223; RPN_Filename=GD_058_18S005UR0161A02_RPN_B3; ZHP_Filename=GD_059_18S005UR0161D02_ZHP_DB3; Batch=3; Batch_Run_Order=58; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FRS0-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=224; RPN_Filename=GD_059_18S005UR0162A02_RPN_B3; ZHP_Filename=GD_060_18S005UR0162D02_ZHP_DB3; Batch=3; Batch_Run_Order=59; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FVL2-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=225; RPN_Filename=GD_060_18S005UR0163A02_RPN_B3; ZHP_Filename=GD_061_18S005UR0163D02_ZHP_DB3; Batch=3; Batch_Run_Order=60; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FTR1-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=226; RPN_Filename=GD_061_18S005UR0164A02_RPN_B3; ZHP_Filename=GD_062_18S005UR0164D02_ZHP_DB3; Batch=3; Batch_Run_Order=61; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - C-1FUS7-U-00 Analysis type:CHEAR 2016-1407 Study Sample Sample_Run_Order=227; RPN_Filename=GD_062_18S005UR0165A02_RPN_B3; ZHP_Filename=GD_063_18S005UR0165D02_ZHP_DB3; Batch=3; Batch_Run_Order=62; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - CHEARUrineRef2016_b3_063 Analysis type:CHEAR Pooled Urine Sample_Run_Order=228; RPN_Filename=GD_063_UT6_RPN_B3; ZHP_Filename=GD_064_UTD3_ZHP_DB3; Batch=3; Batch_Run_Order=63; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Pooled_QC_b3_064 Analysis type:Study Pooled QC Sample_Run_Order=229; RPN_Filename=GD_064_LQC48_RPN_B3; ZHP_Filename=GD_065_LQCD21_ZHP_DB3; Batch=3; Batch_Run_Order=64; Sample Matrix=URINE; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b3_071 Analysis type:Matrix Blank Sample_Run_Order=230; RPN_Filename=GD_071_matrix6_RPN_B3; ZHP_Filename=GD_072_matrix3_ZHP_DB3; Batch=3; Batch_Run_Order=71; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b3_072 Analysis type:Matrix Blank Sample_Run_Order=231; RPN_Filename=GD_072_matrix6_RPN_B3; ZHP_Filename=GD_073_matrix3_ZHP_DB3; Batch=3; Batch_Run_Order=72; Sample Matrix=matrix; Acquisition type=Full Scan SUBJECT_SAMPLE_FACTORS - Matrix_Blank_b3_073 Analysis type:Matrix Blank Sample_Run_Order=232; RPN_Filename=GD_073_matrix6_RPN_B3; ZHP_Filename=GD_074_matrix3_ZHP_DB3; Batch=3; Batch_Run_Order=73; Sample Matrix=matrix; Acquisition type=Full Scan #COLLECTION CO:COLLECTION_SUMMARY Each study participant’s spot urine samples have been collected, at baseline, CO:COLLECTION_SUMMARY with potential for post- intervention urine collection for the remainder of the CO:COLLECTION_SUMMARY study period. Samples will be frozen, stored and shipped at -80°C to the CHEAR CO:COLLECTION_SUMMARY Laboratory Network Hub (PI Dr. Robert Wright) with a Material Transfers CO:COLLECTION_SUMMARY Agreement in place for the biomarkers specified on the lab feasibility hub CO:COLLECTION_SUMMARY including phthalates, phenols, environmental tobacco smoke biomarkers (e.g. CO:COLLECTION_SUMMARY cotinine), and trace metals as well as applicable metabolomic studies. CO:SAMPLE_TYPE Urine #TREATMENT TR:TREATMENT_SUMMARY This study will use a cross-sectional design and nested case control comparison TR:TREATMENT_SUMMARY of inner-city children with poorly controlled asthma versus those with TR:TREATMENT_SUMMARY well-controlled asthma. Participants will be eligible for the study if they TR:TREATMENT_SUMMARY attend one of the inner-city schools sampled in SICAS-2 and have a physician TR:TREATMENT_SUMMARY diagnosis of asthma. SICAS2 is a factorial randomized double-blinded, TR:TREATMENT_SUMMARY placebo-controlled classroom air cleaner intervention [High Efficiency TR:TREATMENT_SUMMARY Particulate Air (HEPA) filter/purifying units]/ integrated pest management (IPM) TR:TREATMENT_SUMMARY intervention. Baseline Clinical measures: Prior to randomization (a) at a clinic TR:TREATMENT_SUMMARY visit we will assess clinical characteristics (asthma symptoms, health care TR:TREATMENT_SUMMARY utilization, home characteristics); pulmonary function, FeNO, and allergen TR:TREATMENT_SUMMARY sensitivities, and (b) we will assess and sample the school/classroom TR:TREATMENT_SUMMARY environment and product use. Parental/child report of personal care product use TR:TREATMENT_SUMMARY and dietary history will be ascertained from each study participant. Clinical TR:TREATMENT_SUMMARY Follow-up: Enrolled students with asthma, randomized to treatment group by TR:TREATMENT_SUMMARY school (IPM) and classroom (HEPA) will be followed during the academic school TR:TREATMENT_SUMMARY year. Follow-up phone health outcomes surveys (e.g., symptoms, health care use; TR:TREATMENT_SUMMARY time-activity) will be conducted every 2 months after baseline, yielding TR:TREATMENT_SUMMARY evenly-spaced follow-up measures during the school year and 1 after school ends. TR:TREATMENT_SUMMARY Home environmental measures will be collected twice by dust sampling. Follow-up TR:TREATMENT_SUMMARY school/classroom visits will be conducted twice in opposite seasons to TR:TREATMENT_SUMMARY assess/collect week-long environmental classroom TR:TREATMENT_SUMMARY allergen/mold/NO2/pollution/endotoxin levels in the dust and air. TR:TREATMENT_SUMMARY Classroom/School/Home Exposure Data: The CHEAR resources will support critical TR:TREATMENT_SUMMARY analysis of urinary biomarkers at pre-intervention (baseline) during the TR:TREATMENT_SUMMARY academic school year prior to randomization and intervention. Urine specimens TR:TREATMENT_SUMMARY have been collected from 103 children with asthma at baseline over the first 2 TR:TREATMENT_SUMMARY years of the intervention study. These specimens can be linked to TR:TREATMENT_SUMMARY classroom/school allergen, mold and air sampling and school environmental TR:TREATMENT_SUMMARY questionnaires as well as enrolled students and longitudinal health outcome TR:TREATMENT_SUMMARY measures including pulmonary function testing and FeNO measurements. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Urine samples were thawed on ice, vortexed, and specific gravity (SpG) was SP:SAMPLEPREP_SUMMARY measured. Samples were diluted with LC-MS grade water to the lowest measured SpG SP:SAMPLEPREP_SUMMARY with ultrapure water (HILIC-positive only). Aliquots of 20 μL of the diluted SP:SAMPLEPREP_SUMMARY urine were prepared for analysis with the LC-HRMS. A third 20 μL aliquot from SP:SAMPLEPREP_SUMMARY each sample was combined for use as a pooled quality control sample (‘LQC’). SP:SAMPLEPREP_SUMMARY When aliquoting was complete, the LQC sample was re-aliquoted into 20μL SP:SAMPLEPREP_SUMMARY samples. All aliquots were returned to -80°C until analysis. Extraction was SP:SAMPLEPREP_SUMMARY performed immediately prior to LC-HRMS analysis. All sample aliquots were thawed SP:SAMPLEPREP_SUMMARY on ice, combined with 180uL of acetonitrile containing internal standards. SP:SAMPLEPREP_SUMMARY Samples were then centrifuged and 80μL of supernatant transferred to an LC vial SP:SAMPLEPREP_SUMMARY for analysis. Following the same protocol matrix blank (replacing the urine with SP:SAMPLEPREP_SUMMARY H2O) and multiple LQCs were extracted. SP:PROCESSING_STORAGE_CONDITIONS On ice #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Sample extracts were analyzed using an ultra-high performance liquid CH:CHROMATOGRAPHY_SUMMARY chromatography (UHPLC) 1290 Infinity II system (including 0.3 µm inline filter, CH:CHROMATOGRAPHY_SUMMARY Agilent Technologies, Santa Clara, USA) with 1260 Infinity II isocratic pump CH:CHROMATOGRAPHY_SUMMARY (including 1:100 splitter) coupled to a 6550 iFunnel quadrupole-time time of CH:CHROMATOGRAPHY_SUMMARY flight (Q-TOF) mass spectrometer with a dual AJS electrospray ionization source CH:CHROMATOGRAPHY_SUMMARY (Agilent Technologies, Santa Clara, USA). Samples were maintained at 5C in the CH:CHROMATOGRAPHY_SUMMARY autosampler module. For polar metabolites separation, 2 uL of sample was CH:CHROMATOGRAPHY_SUMMARY injected onto a HILIC SeQuant® ZIC®-HILIC column (100 mm × 2.1 mm, 100 Å, CH:CHROMATOGRAPHY_SUMMARY 3.5 µm particle size, Merck, Darmstadt, Germany) with a guard fitting (14 mm × CH:CHROMATOGRAPHY_SUMMARY 1 mm, 5.0 µm particle size, Merck, Darmstadt, Germany) maintained at 25C. CH:CHROMATOGRAPHY_SUMMARY Separation occurred using Mobile phase A consisted of water with 0.1% formic CH:CHROMATOGRAPHY_SUMMARY acid and Mobile phase B consisted of Acetonitrile with 0.1% formic acid at a CH:CHROMATOGRAPHY_SUMMARY flow rate of 0.3 ml/min as described in Table 1. Data was acquired with a mass CH:CHROMATOGRAPHY_SUMMARY range of 40-1200 m/z. Solvent gradients were as follows: 95% solvent B, hold for CH:CHROMATOGRAPHY_SUMMARY 1.5 min; linear decrease to 40% solvent B at 12 minutes; hold for 2 min, linear CH:CHROMATOGRAPHY_SUMMARY decrease to 25% solvent B at 14.2 min, hold for 2.8 min; increase to 95% solvent CH:CHROMATOGRAPHY_SUMMARY B at 18 min, hold for 7 min. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME SeQuant ZIC- pHILIC (100 x 2.1mm, 3.5um) CH:COLUMN_NAME Merck, Darmstadt, Germany) CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 25C CH:SOLVENT_A Water with 0.1% formic acid CH:SOLVENT_B Acetonitrile with 0.1% formic acid CH:ANALYTICAL_TIME 25 min #ANALYSIS AN:DATA_FORMAT .D AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_TEMPERATURE 250C MS:CAPILLARY_VOLTAGE 3000 MS:MS_RESULTS_FILE ST001048_AN001716_Results.txt UNITS:Peak Intensity #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Intensity MS_METABOLITE_DATA_START Samples Matrix_Blank_b1_014 Matrix_Blank_b1_015 Matrix_Blank_b1_016 NIST_SRM_3672_b1_017 NIST_SRM_3672_b1_018 NIST_SRM_3672_b1_019 CHEARUrineRef2016_b1_020 CHEARUrineRef2016_b1_021 Pooled_QC_b1_022 Pooled_QC_b1_023 C-1FRJ0-U-00 C-1FUW9-U-00 C-1FW77-U-00 C-1FW85-U-00 C-1FTP5-U-00 C-1FTH3-U-00 C-1FS30-U-00 C-1FWQ0-U-00 C-1FTS8-U-00 C-1FT88-U-00 Pooled_QC_b1_034 C-1FUJ7-U-00 C-1FSP6-U-00 C-1FUV1-U-00 C-1FW69-U-00 C-1FSN0-U-00 C-1FRF9-U-00 C-1FU53-U-00 C-1FRY7-U-00 C-1FW10-U-00 C-1FT47-U-00 CHEARUrineRef2016_b1_045 Pooled_QC_b1_046 C-1FTF7-U-00 C-1FRV4-U-00 C-1FUA7-U-00 C-1FT39-U-00 C-1FRN1-U-00 C-1FVG3-U-00 C-1FRR3-U-00 C-1FWP2-U-00 C-1FUD0-U-00 C-1FVD9-U-00 Pooled_QC_b1_057 C-1FW36-U-00 C-1FV94-U-00 C-1FTE9-U-00 C-1FS48-U-00 C-1FWX4-U-00 C-1FWE6-U-00 C-1FV86-U-00 C-1FTA8-U-00 C-1FUQ2-U-00 C-1FTN9-U-00 CHEARUrineRef2016_b1_068 Pooled_QC_b1_069 C-1FS97-U-00 C-1FV60-U-00 C-1FUL3-U-00 C-1FSS9-U-00 C-1FSJ9-U-00 C-1FS22-U-00 C-1FS14-U-00 C-1FTX7-U-00 C-1FV29-U-00 C-1FS55-U-00 Pooled_QC_b1_080 C-1FVC2-U-00 C-1FRU6-U-00 C-1FW44-U-00 C-1FWN6-U-00 C-1FRW2-U-00 C-1FUR0-U-00 C-1FSC5-U-00 C-1FWH0-U-00 C-1FSG6-U-00 C-1FTT6-U-00 CHEARUrineRef2016_b1_091 Pooled_QC_b1_092 C-1FTL4-U-00 C-1FWL1-U-00 C-1FSX8-U-00 C-1FST7-U-00 C-1FTK6-U-00 CHEARUrineRef2016_b1_098 Pooled_QC_b1_099 Matrix_Blank_b1_106 Matrix_Blank_b1_107 Matrix_Blank_b1_108 Matrix_Blank_b2_014 Matrix_Blank_b2_015 Matrix_Blank_b2_016 NIST_SRM_3672_b2_017 NIST_SRM_3672_b2_018 NIST_SRM_3672_b2_019 CHEARUrineRef2016_b2_020 CHEARUrineRef2016_b2_021 Pooled_QC_b2_022 Pooled_QC_b2_023 C-1FS71-U-00 C-1FVV0-U-00 C-1FU95-U-00 C-1FT13-U-00 C-1FV11-U-00 C-1FUC3-U-00 C-1FUG4-U-00 C-1FTD1-U-00 C-1FRH5-U-00 C-1FU87-U-00 Pooled_QC_b2_034 C-1FT70-U-00 C-1FVN7-U-00 C-1FV03-U-00 C-1FVR9-U-00 C-1FU12-U-00 C-1FTQ3-U-00 C-1FT62-U-00 C-1FS89-U-00 C-1FS06-U-00 C-1FT05-U-00 CHEARUrineRef2016_b2_045 Pooled_QC_b2_046 C-1FWW7-U-00 C-1FV45-U-00 C-1FVM0-U-00 C-1FUY4-U-00 C-1FT96-U-00 C-1FTC4-U-00 C-1FUB5-U-00 C-1FU61-U-00 C-1FRP7-U-00 C-1FUX6-U-00 Pooled_QC_b2_057 C-1FTM2-U-00 C-1FU79-U-00 C-1FTU4-U-00 C-1FVB4-U-00 C-1FUM1-U-00 C-1FVH1-U-00 C-1FTW0-U-00 C-1FUE8-U-00 C-1FV78-U-00 C-1FRQ5-U-00 CHEARUrineRef2016_b2_068 Pooled_QC_b2_069 C-1FVW8-U-00 C-1FVP3-U-00 C-1FUF6-U-00 C-1FRE1-U-00 C-1FWB3-U-00 C-1FSV3-U-00 C-1FS63-U-00 C-1FRL6-U-00 C-1FVY3-U-00 C-1FSQ4-U-00 Pooled_QC_b2_080 C-1FRX9-U-00 C-1FWU1-U-00 C-1FRG7-U-00 C-1FT21-U-00 C-1FTV2-U-00 C-1FWD8-U-00 C-1FSM3-U-00 C-1FUK5-U-00 C-1FVK4-U-00 C-1FSH4-U-00 CHEARUrineRef2016_b2_091 Pooled_QC_b2_092 C-1FSA9-U-00 C-1FV37-U-00 C-1FSR2-U-00 C-1FW93-U-00 C-1FVF5-U-00 CHEARUrineRef2016_b2_098 Pooled_QC_b2_099 Matrix_Blank_b2_106 Matrix_Blank_b2_107 Matrix_Blank_b2_108 Matrix_Blank_b3_014 Matrix_Blank_b3_015 Matrix_Blank_b3_016 NIST_SRM_3672_b3_017 NIST_SRM_3672_b3_018 NIST_SRM_3672_b3_019 CHEARUrineRef2016_b3_020 CHEARUrineRef2016_b3_021 Pooled_QC_b3_022 Pooled_QC_b3_023 C-1FVQ1-U-00 C-1FVJ6-U-00 C-1FSB7-U-00 C-1FRM4-U-00 C-1FSL5-U-00 C-1FWV9-U-00 C-1FWA5-U-00 C-1FWM9-U-00 C-1FVX5-U-00 C-1FWF4-U-00 Pooled_QC_b3_034 C-1FVU2-U-00 C-1FVA6-U-00 C-1FSU5-U-00 C-1FT54-U-00 C-1FSY6-U-00 C-1FSK7-U-00 C-1FVT4-U-00 C-1FVE7-U-00 C-1FU04-U-00 C-1FSW1-U-00 CHEARUrineRef2016_b3_045 Pooled_QC_b3_046 C-1FU46-U-00 C-1FWG2-U-00 C-1FRK8-U-00 C-1FRT8-U-00 C-1FSD2-U-00 C-1FTG5-U-00 C-1FUN8-U-00 C-1FUU3-U-00 C-1FUP4-U-00 C-1FVS6-U-00 Pooled_QC_b3_057 C-1FWK3-U-00 C-1FRS0-U-00 C-1FVL2-U-00 C-1FTR1-U-00 C-1FUS7-U-00 CHEARUrineRef2016_b3_063 Pooled_QC_b3_064 Matrix_Blank_b3_071 Matrix_Blank_b3_072 Matrix_Blank_b3_073 Factors Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:NIST Smoker's Urine Analysis type:NIST Smoker's Urine Analysis type:NIST Smoker's Urine Analysis type:CHEAR Pooled Urine Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:NIST Smoker's Urine Analysis type:NIST Smoker's Urine Analysis type:NIST Smoker's Urine Analysis type:CHEAR Pooled Urine Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:NIST Smoker's Urine Analysis type:NIST Smoker's Urine Analysis type:NIST Smoker's Urine Analysis type:CHEAR Pooled Urine Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:Study Pooled QC Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR 2016-1407 Study Sample Analysis type:CHEAR Pooled Urine Analysis type:Study Pooled QC Analysis type:Matrix Blank Analysis type:Matrix Blank Analysis type:Matrix Blank 1-Aminocyclopropanecarboxylate 0 0 0 0 0 0 0 69307.51895 1565.368039 0 0 0 4464.743179 38731.52002 0 1178.906305 0 0 0 0 0 0 0 0 0 0 0 0 2404.206083 0 0 0 0 0 0 35702.27389 0 0 0 0 0 0 0 0 0 0 0 2512.978868 978.9866544 0 0 0 0 0 75025.64077 4152.297841 0 0 779.741334 0 0 0 0 0 0 0 2172.719424 0 0 0 0 0 0 0 0 2279.7313 0 61570.97719 0 4074.252368 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 75709.94477 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15499.81966 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 136968.7329 0 0 0 0 0 0 0 0 0 0 0 5678.67442 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 75492.41653 78368.55442 0 6742.298253 0 0 0 0 0 0 0 0 0 8693.412567 0 0 0 100164.3953 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15286.48744 0 0 0 0 0 0 0 0 0 62016.34466 6354.830109 0 0 0 1-Methyl-L-Histidine 0 0 0 11926952.07 12330927.13 12570630.22 38593153.41 35809192.52 24364954.28 24897846.3 5799584.91 18594519.54 8785457.105 56710798.09 16131842.6 17193290.92 17445203.63 22646587.24 11094677.45 21031948.28 26143698.51 49620729.59 58970983.29 29956131.33 16160840.82 53859370.69 15035010.65 11681814.77 17859755.99 45777337.62 15170076.55 36516460.62 21315759.13 9028013.973 23490093.94 51802269.2 9714209.745 19536024.14 8777199.801 6729534.552 12239463.71 12288087.27 5220374.978 23743048.2 9812358.429 66410771.51 8384389.075 10060909.46 10042557.73 18178453.1 5885886.867 24609036.61 17035675.53 13699145.25 31966876.49 23830086.9 10401518.41 10764911.28 22181455.12 9565937.621 27966009.13 9351527.027 14572449.42 6950671.04 6370847.257 5273356.342 19867057.3 8598528.077 20627135.08 18194504.47 7186400.918 5996102.592 43426405.06 9758286.011 13950545.94 20888032.44 21011390.37 27893269.65 20625190.88 24363383.7 35579370.07 17635192.53 14350085.3 16361376.56 28491829.16 20281887.43 0 0 0 0 0 0 10799654 10976623.81 10037789.27 31221902.14 27918384.09 23936641.86 24575909 6094856.829 16766580.3 29951854.09 9716147.663 12691984.27 13048456.43 18736457.72 38527807.83 12453233.34 17171064.79 24186400.28 10178855.65 36836005.2 12558591 4859888.042 24948197.18 51280880.43 74889923.32 9662133.413 13241630.07 10408893.59 27014791.78 22063344.5 18360328.42 18217929.44 19469620.81 7519042.593 13068231.57 16320455.72 10591980.17 14800160.95 15656470.52 12875948.59 16849927.94 7582552.241 19051777.4 23284741.71 8547777.255 20987461.44 6676557.741 16770637.4 11515892.16 16477784.04 18873116.35 24759501.8 20517180.47 9638672.793 9521557.749 8722716.306 7117981.217 15603851.13 7442698.773 14949863.1 3458045.577 8834819.352 12426841.63 18385790.9 9851368.723 123215243.4 16085103.56 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28970.55881 33378.25455 30566.37533 19889.04823 18173.18859 24850.8674 31449.33285 22460.32859 38106.49262 23549.5774 23371.37953 32985.80807 38440.98338 38821.33516 19900.4091 25201.73862 31677.4584 31573.18623 30231.35226 20709.81439 39838.61469 49678.11018 41152.60395 46864.70407 34606.69815 51059.55034 46957.4019 43497.84238 42993.5525 35392.37218 27516.16328 42245.9335 54439.66896 30809.55828 49090.59776 30217.78248 30020.58706 29425.04289 39025.29356 42103.20739 51715.17656 36663.32568 30936.44001 23527.85623 49922.13475 58307.07656 38872.70409 33580.69654 39185.88404 39823.93598 51779.68602 36420.48199 29030.38506 22123.98831 29347.17245 31628.27922 33440.45352 30101.29778 31812.66534 24304.80075 28292.9813 25695.81786 33586.32436 32777.11942 33142.34753 27418.448 23008.57249 17024.93357 27162.86167 17140.39081 28485.75061 31668.94052 19728.63816 0 0 0 0 0 0 31546.81686 31495.15659 24605.52671 45859.09797 44690.08252 29614.13095 26388.59266 29952.96565 21927.27991 57183.47582 31417.01243 34247.51947 35668.4847 30330.19202 26223.63518 47018.15273 18704.12066 55096.99515 57118.98601 57245.71502 29898.40287 25063.50395 18665.55738 28372.52175 21624.53709 19937.76837 35208.843 53844.30476 46938.93478 29420.16992 44785.64269 41123.58577 24146.99034 28331.83744 31950.32379 30267.60175 37205.2414 35809.21053 29183.59928 39732.90308 33730.76384 33068.36274 30137.53828 23281.93603 29507.30397 14626.79886 33389.71417 33620.23482 47536.75479 32857.34611 31536.6763 49265.07245 35914.77451 35044.32068 38460.74592 28085.35812 58054.25001 34287.27413 26896.50934 30754.51287 39865.59763 55606.17497 33701.75117 45984.14568 26111.72903 42026.9892 41026.43592 32485.66084 66480.59468 41680.32926 32879.9194 46206.03945 40873.61152 36083.53002 40069.24963 68627.35228 35734.29481 30339.20776 37481.5166 31258.16212 45631.14046 41663.14619 67574.31629 0 0 0 0 0 0 38932.41965 42142.27686 37749.07811 47996.07339 47066.14823 48808.95665 42343.51161 34335.2483 32434.37839 38585.96545 25664.11835 33174.74861 25614.06136 30469.86851 33571.16624 27955.15479 29708.07506 46977.458 33578.20921 21028.45408 29677.7895 22963.08627 22335.20357 24092.16371 20910.84445 30465.48236 23153.86378 38613.74283 59813.64425 39436.15577 20469.18077 21520.05468 26835.32229 17123.26273 23206.90156 10901.38767 24784.05722 26320.2194 20271.10766 16864.55819 32534.29301 28424.63877 22495.29672 20572.78119 14126.51291 27778.48803 35415.62832 27674.33111 0 0 0 3-(4-Hydroxyphenyl)Pyruvate / Caffeate 0 0 0 61365.42127 22075.92159 28321.88438 52007.35812 58349.93391 12762.27547 11475.39531 37022.63768 34010.61397 16009.24549 45064.5121 117020.1277 38315.08865 30865.58228 72664.01529 308255.6711 21167.02777 20594.24388 186926.5439 16992.05198 5737.695059 31756.25086 25104.25706 5874.703724 9868.784219 320150.2702 54994.9341 39879.07155 72365.88524 42104.78214 37407.58229 56964.33044 154337.7737 56899.2462 287879.5986 134973.0572 276917.8162 16414.0206 161949.6671 191567.4947 34257.36248 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0 0 28209.25565 22953.253 0 0 8023.043972 0 0 26737.60219 17346.25189 0 0 0 0 0 0 18234.20422 0 8191.997866 21250.98577 21593.37259 20769.31015 18773.45984 0 0 0 1137353.968 0 11145.58744 0 333555.5169 0 3827.088712 20997.59869 20346.86248 0 108336.6104 0 0 7129.638463 20433.93919 6537.544316 0 43883.28302 21336.92585 16036.10711 0 0 0 0 0 0 0 0 8743.018411 1937.687921 15731.08513 332670.0786 2970.646906 0 0 232361.874 21879.21773 17578.8342 0 0 0 4-Hydroxybenzaldehyde_R1 0 0 0 9323828.452 9149049.317 9254592.076 8143271.06 8273303.533 6406357.623 6267130.387 4175698.981 684719.5509 4870528.212 2256366.51 9024236.406 2193295.306 3804107.791 809992.3876 4985195.999 4878535.783 6560478.871 9490960.217 3777594.522 5101097.006 3270814.018 5811782.097 1691412.153 3033264.863 5664204.74 9620436.523 2446763.571 7835940.841 6169626.522 4570179.096 7740839.062 2144069.087 20931605.09 5286819.957 2138714.708 1909348.667 10395778.97 2235395.097 7681458.264 6439839.436 9172838.715 4878160.307 4717885.182 7675055.619 12083437.27 4268122.326 4936721.433 2833006.876 6108360.266 5453816.955 8092110.517 6228449.414 15589952.15 10901885.38 9091346.993 12757420.21 2922926.784 1471979.253 7545526.351 2044126.024 2223101.186 4697362.091 5778679.551 17303082.26 2893449.45 1406683.53 5084706.721 899702.8609 1598417.03 6535482.874 7234663.092 3248141.075 3150176.381 7075659.209 5614627.337 4407294.728 4039243.67 8808760.027 8366892.507 2059196.736 6762102.411 5412005.997 0 0 0 0 0 0 7895702.47 8296712.314 7075214.004 6789865.506 7037949.438 5648562.997 5607578.065 3971737.51 3788952.431 4946037.619 4311565.076 1687525.043 8167576.838 5231474.891 5750736.282 5791178.274 3861198.319 5547801.846 2362081.877 1825010.768 6130149.758 2274672.298 3058299.008 6990540.408 1555138.826 4109855.424 8225965.223 2273095.172 6120913.345 5263320.206 2443838.44 6813653.257 8312146.421 1455486.816 5508887.925 3074698.036 10229419.06 8815960.945 8661772.493 9761294.095 4899762.599 4920527.654 5581784.676 2060102.619 6118650.058 4277661.358 2969698.706 4731862.029 5665118.302 2681183.177 2885890.607 6156310.654 5389045.576 2458972.433 1373193.411 7400078.133 3467696.179 1289118.566 3582460.466 5224303.779 6560757.157 5335614.801 4965096.647 5087910.718 6678410.146 2965816.432 6268165.201 4503184.229 4712166.509 3219219.215 1570000.554 12870505.51 5124853.679 5076675.233 5915298.073 5273862.326 3190293.343 2483768.483 1963866.913 4609321.861 10187362.4 6500087.167 5732864.855 0 0 0 0 0 0 7589581.308 7577808.85 8108866.93 7502528.024 7197471.762 6267240.243 5610201.056 5597560.478 2490720.802 4154760.597 16357357.06 7499857.919 7906523.989 1272285.598 11237317.42 4409015.976 4527190.206 6234334.213 2149801.808 2687609.567 2151416.127 7811038.691 9329096.556 3951041.836 8174996.882 4447547.499 1831582.008 4877544.667 6699617.192 5668157.552 3504343.715 3490402.977 3225594.142 2628114.688 5399186.149 3567418.743 3085256.779 5893257.029 2820019.679 8815287.924 5583132.689 1836600.909 2380183.165 4501607.229 5860110.744 4612819.019 5740746.394 5162832.558 0 0 0 4-Hydroxybenzoate 0 0 0 0 0 0 0 0 6683.978444 3794.301437 0 1716.054425 0 10802.00907 0 4360.574564 3781.336182 0 3444.14106 6136.181537 7049.047784 5958.325879 18252.21412 3738.132734 0 0 6034.706706 1522.074626 86844.48836 4842.812343 3167.399264 3590.49402 4631.837729 0 0 7049.88982 2977.716222 3879.032342 0 20232.76714 0 1535.598679 7681.96972 5282.158171 0 0 0 9595.261932 3258.634194 2129.180983 6859.587322 3709.684691 20844.34962 0 3509.967655 4314.924971 0 3937.879937 4810.619969 0 0 15206.16876 0 832.7242007 0 3195.030294 1898.166401 0 3772.412324 0 32799.62995 0 0 0 658.1615728 5167.461233 2399.92501 1071.42579 0 0 0 0 0 0 0 4918.109671 0 0 0 0 0 0 0 0 0 0 1994.218029 2890.399071 3793.230448 0 3869.541548 810.3023673 0 0 0 7507.147323 10331.99502 0 2675.478335 0 0 0 0 3287.396404 0 0 0 0 0 638.1610556 704.2687168 0 3995.391748 0 2823.127297 0 0 2512.873644 0 0 0 14997.3901 0 0 0 0 0 0 5405.1941 3096.741641 0 0 957.2710664 3721.754456 4730.030902 0 2741.573967 0 667.4738589 0 0 0 20958.19201 0 0 3203.256141 3090.63504 0 1986.744014 2949.980653 8850.7949 3358.771776 5751.839486 3947.563369 0 0 0 3110.391426 3259.627959 0 875.3332638 8889.271991 0 0 0 0 0 0 0 0 0 0 0 0 0 1470.181411 7972.315853 0 0 0 0 2201.559934 0 0 7200.77811 1882.045057 3181.856685 0 3733.621322 0 0 12181.60884 0 0 0 0 0 904.7240606 0 0 0 0 0 10167.49915 0 8258.163913 0 0 0 0 41482.56981 2749.139078 0 0 0 0 0 0 0 0 0 0 4-Imidazoleacetate 0 0 0 17781.56673 16709.3374 17672.32117 0 0 6805.798437 6770.785841 0 0 0 0 0 0 0 0 0 0 5850.578487 6546.619502 0 0 0 0 0 0 48902.53828 0 0 0 7594.226449 1991.67981 0 0 0 0 0 133515.0824 0 7467.264364 0 5516.619195 0 0 3491.003945 131522.0875 59433.97702 8462.44021 0 0 0 0 0 4382.525466 0 144236.6584 2319.099036 4507.626848 0 2636.077625 0 0 0 0 3989.267025 0 0 0 0 0 0 0 0 0 0 0 4738.183995 0 0 0 0 0 0 5516.413414 0 0 0 0 0 0 15042.88151 14660.14961 11811.0462 0 0 6444.935444 6127.700079 7356.272497 0 0 0 0 0 0 0 0 0 5997.228261 0 0 18643.2821 0 0 0 0 3776.415998 0 5279.703373 0 7827.116976 0 8739.771539 0 7088.709599 0 4160.942812 0 0 0 465919.7531 3553.256328 73431.5922 0 0 0 0 0 109677.2771 7210.86492 0 0 0 6035.675763 0 0 0 0 0 12434.79964 0 0 0 0 2536.93698 0 0 0 0 0 0 8392.768676 0 0 8519.136177 0 5390.433681 0 0 0 0 0 0 3557.508712 0 0 0 0 0 0 13180.65 12712.37501 10535.89393 0 0 5295.918793 3917.714841 0 5267.5823 5504.886336 279291.4399 0 0 0 23679.25202 0 0 5662.046707 0 5413.70777 0 0 0 0 12291.16663 0 0 0 0 5439.209895 6489.693542 0 0 0 0 0 0 0 0 0 5432.892193 0 3740.791491 0 0 0 0 5184.527258 0 0 0 4-Pyridoxic acid 0 0 0 372981.8295 418277.5944 391077.5069 419915.4271 443969.3618 355498.8629 349795.5843 280506.8807 182110.137 517613.0371 187859.8306 506868.6474 424680.4853 442026.9485 581154.3263 514556.2614 357287.2134 380648.7491 257447.463 786380.143 339897.8996 333652.143 298414.929 854923.4173 1084720.048 709098.9483 284580.0988 317166.1475 384220.9524 321208.7185 564934.0893 201067.2615 200319.6817 232395.7167 237917.2555 426408.5189 715345.1059 321822.5208 267299.451 681729.1082 366090.9027 132764.0611 212970.2926 160704.8006 238072.0154 273150.65 303452.4523 544498.3971 406903.8929 344277.5817 368902.5582 435865.4919 312772.1684 370054.3363 241922.1631 203647.5235 328267.8187 584825.9073 465538.6069 125671.3615 259626.0919 670882.5271 459060.6 283225.7567 181988.2902 196141.8981 213201.4462 548974.3174 218165.053 226893.8661 250316.777 127133.9619 316231.4522 606705.9812 329654.2501 335206.7858 414099.9751 346371.3939 487368.1103 416563.2243 429233.7216 302646.7119 298550.2045 0 0 0 0 0 0 303546.9604 342525.6699 317586.2173 406238.1014 406912.7461 311101.8983 311543.0632 640732.9367 428323.6846 499681.1818 207268.8255 561864.7278 370451.4833 611363.9284 262725.8585 262305.92 456538.1597 324033.9778 274416.9969 175773.9091 256016.7504 497955.485 540450.8549 314541.0558 606902.6513 213366.5105 181533.106 500449.7133 404775.59 369286.7427 405146.1023 452553.1417 251207.2008 340572.4425 187089.3426 247713.7269 311354.3752 315398.2447 385075.1015 587020.4486 320799.4186 517438.6212 311550.4388 294935.86 420979.9738 387404.2771 507330.6308 267187.7025 309955.7215 643403.8822 636429.6083 415654.5547 338595.8022 964734.2781 549965.1994 197687.6186 345238.2225 294910.2211 266144.6331 261811.3043 527730.0187 318326.4641 615603.4318 293016.4086 277500.5698 309760.2728 361977.0754 255750.2976 333582.3243 172699.2251 166884.0237 452982.877 225042.0513 360026.5752 406228.1674 320466.1866 310822.6577 1124950.505 300522.0074 283313.8725 258553.5795 420882.5987 367431.6432 0 0 0 0 0 0 281413.5078 296151.3235 302423.7968 323801.9596 316248.9696 341828.1366 331397.7743 278226.1302 292968.5451 235351.5881 365196.8556 384846.2178 604361.4445 669670.1088 480795.8663 492595.7149 554403.385 292867.4055 259857.2124 340464.9071 407306.4216 253143.3476 404444.6392 184737.1971 344163.4862 541673.2455 481630.5421 456751.9069 276138.2081 288911.0507 439373.3219 198837.6373 333153.6189 427961.7687 280200.0837 219763.3334 350652.8481 168270.1618 435556.0421 252371.0665 276633.2662 296015.3073 192738.4891 221717.2114 178961.3767 510036.8893 244461.4555 343684.9275 0 0 0 5-aminolevulinic acid 0 0 0 54434.75294 54726.23963 69751.50629 55611.61593 58548.00415 147980.4492 146123.7776 89972.73624 242097.6417 93726.42324 134146.603 87801.44589 126392.0355 221168.9157 74885.6582 145188.3189 100912.0492 138251.7412 114413.4643 158235.1169 221605.4517 141482.3984 186119.0427 83605.64926 74081.52427 111640.6464 109854.8707 160054.6867 50636.67438 125213.685 67933.92759 198410.104 118450.8761 82744.20424 115785.8437 209025.598 39982.29496 205807.6769 141475.4234 145949.136 149131.8956 78305.50083 94962.45492 108805.3149 66210.44745 46356.88187 102000.9612 192958.1697 148661.8619 112506.9385 64522.10175 47590.57366 132433.7727 113541.1733 247174.8022 101473.9273 208674.1741 156705.4835 162353.9643 162821.4417 53357.04475 47488.76662 174710.1194 114374.8756 90598.41228 155462.3681 198674.2812 110340.1969 83159.63529 66091.56468 96954.81178 103323.76 50311.28888 181002.9808 45313.63861 122345.3919 111504.2781 153873.0396 118546.0722 0 169117.6297 2325.040668 115808.4439 0 0 0 0 0 0 56519.6154 58809.81874 60527.00296 52737.85773 53591.3443 129415.798 127006.9281 84888.32832 131797.3424 89459.79537 274302.9634 75676.24878 265086.4996 217981.7266 227297.4565 190781.6739 142044.857 104460.6671 213096.1146 127019.9254 174048.8698 145636.2934 117431.4274 190876.1331 166105.7399 281411.0972 174764.2085 124101.1355 46005.98527 134410.8607 85746.19265 69305.32594 300635.7394 93950.6757 113005.0444 137101.0012 258508.3755 128342.4337 88865.45744 0 123390.207 242915.1691 177909.008 140200.3858 9912.034701 180492.8176 185898.3555 222352.6704 87610.45228 87583.74102 88821.16741 50067.20159 146746.3415 111776.0395 53474.77718 82938.45199 123903.6999 195377.6692 36371.89835 150746.3306 70177.86087 120668.5741 84191.48404 121212.9011 115828.5837 96661.14019 42119.96031 97629.91629 103759.1458 128201.4845 66026.63296 120246.2658 70079.51614 66910.43577 42504.13009 151084.3414 116671.4871 31385.57557 102997.4735 193336.3166 166012.0569 30413.11501 190672.1738 0 0 0 0 0 0 61440.88959 43065.86448 62472.58171 67684.59027 55703.30468 164561.9521 170438.1953 80280.54378 63038.44048 142919.1394 129691.886 143447.3225 163969.527 155090.2759 305980.7219 88197.88098 144094.3904 148925.4083 40509.60652 82354.20522 168720.6641 209540.1159 117372.6981 128254.2242 134232.4277 151744.8877 56755.42491 38849.2124 57156.06966 152216.5121 49530.75929 94988.53794 77521.49372 184730.019 117856.2858 104210.0647 32381.22367 34852.16064 259049.0746 41562.13016 128730.4131 124356.6283 95769.0632 65952.89426 96110.977 212378.5701 36356.86134 116964.4973 0 0 0 5-Hydroxylysine 0 0 0 0 0 0 3954.242371 0 0 2170.523678 0 7491.738965 0 6187.580164 3509.876038 0 0 1267.324272 8793.214442 6410.790444 3806.972626 9908.738749 0 0 6319.898379 3611.752129 1227.699304 0 367.5156592 4383.456426 10640.05086 819.2593171 0 7872.175831 2474.119242 4914.472961 3088.282224 4212.904249 11159.28885 587.2570465 0 8771.968978 0 2326.69825 9848.115881 2824.184119 4981.847709 5487.623578 0 7587.865238 8068.298864 4732.693969 7404.707901 579.2688097 2177.508968 0 0 5652.257958 5563.989717 6382.807185 5094.64726 7883.703229 7251.403953 3729.851279 0 3303.297541 3159.972221 7566.636983 4500.430326 0 10716.62392 3576.5434 5865.162634 0 4410.53646 499.4074893 4833.605868 0 0 1460.351221 2716.703973 0 0 4252.442521 0 1815.896665 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7913.243302 12113.40516 5149.956626 17880.45819 3380.619979 4865.369461 5519.642145 4005.858236 0 6527.17229 6846.66499 21206.13592 7628.186667 3062.622705 6066.353656 0 9756.221911 5883.111704 11702.30631 0 4629.713483 0 7101.714166 1211.033487 8840.222864 0 0 0 12478.50823 2426.195748 0 0 0 3322.617735 6052.607323 2529.006366 0 0 2704.328933 0 0 0 0 1326.179307 0 1039.404468 10306.62689 1878.405848 5902.091608 0 999.1668362 0 0 0 0 3419.943231 0 3257.479329 4910.707955 0 0 5365.104704 6206.409542 5022.075616 5143.658208 0 3362.005249 6798.733401 0 6314.203331 0 5217.255803 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 655.7561649 11151.93166 0 4397.130736 0 4251.83973 5523.435138 5120.949322 7046.74481 4173.440743 2663.610178 1952.447305 4987.468191 7986.505197 4041.002186 12915.93365 11016.56061 4892.917136 522.5833158 0 0 0 8663.595407 6115.18134 1773.898572 4762.634566 6188.739138 6624.100553 15101.49478 7104.535737 7763.247517 7859.496146 1745.419078 5952.421176 7236.227667 0 13081.25218 4225.717826 0 0 0 0 0 5-Hydroxytryptophan 0 0 0 12137.05421 10977.62454 14299.06636 9874.704064 10881.47365 12194.9384 14081.1506 9939.388159 10286.11698 9990.497497 11073.26282 11484.73871 9574.499128 13890.34905 9657.145557 8271.985093 10867.76807 10683.49529 0 11927.88676 12865.36662 10782.35545 11998.57111 12339.21211 6113.783605 8718.88494 8769.958532 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18257.25118 14956.04934 25288.05427 0 0 0 0 0 0 13983.76515 15502.13265 14828.45026 18505.00284 15847.24879 11646.1995 14986.03197 12541.40036 14296.66884 20855.74221 14363.91784 16003.75339 20843.03466 11455.84601 15146.87662 10253.49036 13746.85407 16348.49367 11967.92705 22296.5695 30291.41233 16108.36515 13127.4994 14330.80195 12206.39689 13608.63817 10808.96321 7755.003286 14153.82324 15447.12244 23029.09056 9845.372741 12869.5884 9552.08179 20220.49206 9174.470971 9493.085708 14267.85887 10538.64748 15970.77714 12651.92298 10732.76199 9058.123499 24312.37889 16582.7561 21603.24867 12767.47172 13912.68513 0 0 0 Alanine / D-Alanine 0 0 0 14984.74958 14949.68753 14322.03882 12511.21865 13907.18251 15340.41844 16954.22386 13683.05075 31174.14503 20011.16339 9514.845892 17919.6679 27065.25565 38309.26127 14712.60584 29514.71169 11984.46374 13308.98524 17313.1137 16638.82599 19672.21349 14924.86766 14192.3764 25538.5941 19436.20545 23414.31521 15939.52099 13623.36513 12363.43631 13981.49143 9627.787939 21964.49969 7610.273977 8901.878329 23574.02059 17790.34412 19762.58128 18580.89212 12789.23814 20482.71162 13320.23046 11289.44915 15484.29221 17861.4314 17235.87598 21688.78923 21005.83459 23517.14932 8865.532519 17728.14455 11931.44502 12354.20529 12650.58339 15973.80093 13772.14953 12694.92068 18565.50133 11989.76009 14314.62272 15884.73189 18125.7966 15827.12656 21124.03357 11727.52756 9871.347457 17537.12735 8618.37931 15184.24666 13894.60243 8826.061869 16625.05999 15376.02682 14608.23106 14052.30964 14195.41488 12729.55064 8908.076783 15322.83838 18060.75545 27597.63198 11719.15762 13290.01512 13432.92352 0 0 0 0 0 0 15373.72409 14516.14459 12723.75972 10063.70475 10419.07716 13956.03979 15186.88523 18806.91846 13249.52983 9292.291462 20210.68993 16873.57329 18511.30292 22007.20311 12145.7675 24036.03044 15306.66394 16912.63226 8201.934069 12794.89709 20939.89233 10437.64586 15765.38015 18059.83263 18867.96374 20585.53858 21498.51089 18240.76 14873.33853 13682.55385 22756.48671 11889.64098 20248.01714 15786.08468 15517.09802 21443.78771 30897.96687 20077.10658 12712.30291 30451.10038 12945.92655 9876.998971 21343.62351 19386.62824 17103.86985 22804.89087 18204.16246 18521.35998 13255.27322 22917.31417 24625.28415 14564.51412 12752.69565 18915.59669 14303.66975 22458.3464 14983.13622 5729.29937 14447.48215 17751.29936 11326.22419 10096.03572 17036.49909 12151.23101 15665.56903 19416.62728 10082.97789 11632.69979 16693.70787 17488.35862 13875.14734 20246.89416 12421.18286 14478.38569 10720.98811 14960.9575 17340.7518 19076.09828 16765.15141 17550.47397 18478.50792 12483.55214 12351.78044 0 0 0 0 0 0 13537.23389 13043.18817 15273.96683 13702.03938 11211.88504 13781.13475 13540.24034 7668.395794 14516.6503 14440.72172 12664.45922 16445.17659 10047.01884 22115.89715 16059.81972 13398.54098 13896.82282 14266.83598 16940.72668 16113.75395 9471.070381 13433.41901 14275.30028 12688.68359 16259.09386 13864.55371 16034.70073 15154.80442 9833.482304 13882.53985 16959.69259 12906.87049 12768.48976 14024.66119 7149.800202 9881.001793 25362.98576 8753.989465 10440.32509 18373.02823 14369.03601 13067.63506 17037.15923 10848.10794 7944.847804 14337.75202 12811.32876 14725.00602 0 0 0 Allantoin_R1 0 0 0 45630.40514 47940.56446 44252.80147 42593.29095 45624.11972 46235.12678 42150.11727 41800.04802 31830.48721 167943.4851 41369.62392 74715.80065 48447.61002 232802.016 21834.97911 49248.46097 55236.02642 46766.23309 40996.1179 97236.93343 44670.37187 63246.11271 32391.43246 28161.30862 112044.3191 196625.4607 41423.34608 43321.05325 41062.28795 44386.55207 42606.15546 16507.23205 39526.98622 22236.39825 47809.63269 36172.62794 168289.3941 50784.50745 40314.65822 106398.769 44982.56031 15848.76043 16295.54548 32642.39074 45202.3963 71272.30824 84132.86406 54092.38202 11601.43381 46912.38779 25048.32604 42635.22691 41617.74528 104628.8204 99918.08331 55420.57657 60275.3026 14823.2762 47738.48386 47431.48058 64385.6694 136605.6076 52752.1745 41357.01168 23488.7921 41267.63355 17996.54957 172017.4934 17108.3362 24898.78834 40658.50415 53199.30625 37021.2869 43088.68767 36563.01348 40502.38433 53605.55135 88771.02693 55779.13095 177035.9481 49323.74866 37717.93361 41447.27601 0 0 0 0 0 0 41769.6014 41495.22478 37413.95648 36016.12295 41383.4337 45371.75076 49782.35426 53090.26258 56386.75319 53434.01404 22863.04905 33506.47603 43365.86051 81711.22634 22478.31556 57294.05549 54134.77907 47725.55794 22235.65353 12751.92127 55110.35977 39058.86852 41831.79856 35206.86111 111604.3773 22516.1986 39344.21987 50515.06097 39656.90265 44714.26044 50908.52087 83408.37066 35768.20528 32346.82641 46216.44613 44983.95753 58138.24821 67287.81525 123855.081 252217.4654 43130.29029 47029.15617 98494.98239 49184.61832 31353.25501 111409.0501 126417.26 101300.6248 49303.68338 205142.5817 189166.0724 40570.08954 47790.66316 96479.72676 36284.49399 19642.27119 55000.99972 14081.77221 32707.78224 98735.7159 35433.70122 51416.48805 78118.95555 45585.42076 56448.6926 57664.20813 93898.46907 41387.6387 132212.1829 34358.74655 46430.49541 50262.73255 41795.20328 49454.47939 41830.67351 51407.63561 30585.51918 95414.82399 43183.68094 52999.34801 60059.53272 40659.04836 52202.55331 0 0 0 0 0 0 47441.88193 45895.40899 42353.32198 42432.59594 33821.92106 47891.34801 47346.18033 59106.96779 88142.82503 39757.98607 243080.4247 93084.21678 53423.10347 63161.79351 31403.06153 55802.24531 43061.19081 49513.42914 127166.6623 94440.64451 46741.27326 38398.69502 36533.42322 40741.96331 73544.23916 42375.51196 24332.651 78266.07042 39139.12886 44449.0429 56916.8064 44039.34416 54473.33516 68434.05719 52361.1542 44226.48665 61395.15503 32430.67343 39355.89147 51744.58371 48488.82445 55079.63161 45382.96508 58546.43293 30125.77657 42485.59186 35603.26487 50290.51734 0 0 0 Aminoadipate 0 0 0 253636.5007 251218.887 266975.5406 195043.7982 211867.8516 110904.4185 114332.4112 208012.9964 82884.77701 181147.0302 51203.28174 156414.6418 220504.0409 195850.5688 255729.783 354634.0269 85384.35179 145861.3808 87007.26137 294883.3202 291395.9014 241415.7332 141266.5953 365963.8836 308516.6264 270112.4806 94770.51853 104981.7989 197766.9261 90333.70121 264073.4305 191404.9512 53494.88082 127035.4596 91812.44252 342335.0009 572216.8749 130019.8896 95524.90944 298842.1193 135540.2725 71759.99907 147736.2012 108476.0699 56094.20608 105164.3044 94793.22377 262157.9912 178213.6692 145954.8423 169674.4723 189467.8645 141204.8813 173636.6363 284388.1279 198027.8809 188868.2528 203222.429 121756.0055 72031.10931 167659.9781 209472.0735 252406.2759 135478.3585 98773.49436 108092.9717 104710.034 207859.4448 134299.9767 94244.48653 100880.8606 63666.4318 122679.7613 212072.7716 168787.9933 121754.0069 89835.38176 152345.3559 167893.9442 129808.4429 84563.28852 168495.5987 116595.5919 0 0 0 0 0 0 223469.9467 222373.9383 217005.4322 155860.4315 157155.9498 116709.1565 122561.1498 281705.2081 313083.3068 91682.60607 148069.7442 396490.0704 76231.54807 220077.3238 189689.1744 48367.4154 326426.5823 136364.1795 142550.4047 156303.5576 104825.4164 267499.2079 109383.3118 95095.0591 192997.3293 120925.6846 120200.562 66356.02115 136395.749 124062.9382 332543.0934 88966.36261 120136.246 110697.9944 122861.559 265414.3479 155622.8523 160514.1182 70495.47726 137066.3536 83014.71929 167300.0398 106369.4804 167269.4038 129574.4072 293187.291 82269.68778 237751.5064 195177.6075 272236.7222 252234.3284 127057.5786 126640.3298 185547.6743 159822.1146 182555.5813 175877.5251 139931.9264 86744.00531 75632.88656 159593.209 168140.3613 245886.4162 113237.8278 155741.8948 178555.1965 174181.0471 115751.4211 121267.6466 82494.38668 59094.12552 243288.2145 105903.8245 78750.6922 120380.8504 140796.6186 174114.8769 186238.668 55922.5524 111644.7273 111593.0057 118960.0675 156661.3982 0 0 0 0 0 0 230097.9107 247044.882 246812.6291 214305.5731 196422.3562 154516.6397 149164.7251 126818.9092 76332.0138 166341.8596 126632.1712 290830.1941 194864.3746 359921.6944 510740.7577 199941.1242 519851.0966 163749.9022 87863.42687 73679.44924 349208.2701 354820.8389 149164.369 106725.9095 112309.5401 497201.7725 980629.0211 65535.15995 176695.2277 158216.6567 127105.8822 337721.0053 157719.0896 290380.1069 93392.6227 336828.3446 180812.8561 137575.1588 107693.0212 166876.9272 156238.9533 229349.1565 168171.7678 133527.1955 137387.4779 394825.0761 161856.8556 142091.1339 0 0 0 Aminocaproate_R1 0 0 0 927488.6644 838951.7445 932045.6853 602031.7337 589987.1672 908351.9418 899167.9428 615437.574 975152.275 1183247.199 294685.6344 618658.8042 1131764.865 2364878.709 445312.0871 1171830.046 619336.0251 853082.8169 676073.5579 558570.7215 1144736.812 936786.8208 688879.1001 1940991.748 1134947.072 911899.231 633024.602 894052.694 700374.9714 861021.7232 685538.3247 964186.5124 196457.539 457916.3933 507695.5459 932326.6792 1037786.903 967872.0598 776142.7358 732437.6183 820449.4276 554672.4482 584492.2626 437849.4228 696213.0938 701434.9479 944304.4958 917625.2136 741465.9316 861957.2174 434370.4841 689094.5817 811549.734 562598.874 1015006.744 610502.384 420970.5485 797138.837 1047131.405 391305.5937 1040225.429 785639.789 922533.736 726762.1268 578538.0065 698616.7439 518454.3723 398881.457 787489.9953 555897.7653 769324.7693 456624.8619 699134.1811 648295.0556 463524.731 688979.5416 549115.115 568371.78 670919.3386 1016607.009 627872.5258 393758.5017 770839.1631 0 0 0 0 0 0 815379.2803 702703.7427 866207.044 588505.7767 523379.1742 973262.7757 967787.604 835247.4408 770183.8401 781787.8912 1128775.84 2251096.661 791391.5626 1256838.92 500144.7861 1272089.208 742074.8648 848795.8263 889135.9621 1289346.783 1785859.129 839263.3918 596234.7631 749148.674 656640.2617 1047710.411 610013.0294 863977.0798 482398.1328 909089.0445 1140137.002 467469.2295 1251269.34 529269.6553 639170.24 1270487.582 1457859.618 738238.3857 491868.508 1331703.674 814220.6371 389014.911 1045198.405 1362370.473 663969.7462 851131.2958 666218.8643 1063253.024 679346.6549 1152433.566 1207405.865 573560.3138 848060.7208 1377644.611 527688.665 626217.8593 938199.0238 486036.9128 510533.645 1069510.918 676629.8574 601656.3829 1048582.699 853505.8499 1055788.2 778722.815 999744.5556 554518.1641 736514.316 378680.4251 778980.0632 1691758.063 509738.2045 745684.0353 444310.7477 850467.126 1163796.775 477804.7224 1690616.605 572400.8854 948516.6704 488716.3563 862686.4517 0 0 0 0 0 0 792638.735 725140.3214 691936.9696 677513.857 535970.0753 881365.2199 796658.7754 578254.8613 1271195.503 683536.3246 449204.6587 1125344.199 790241.9822 826802.416 1929336.91 1076284.632 1329470.161 742095.8608 890548.807 1399338.608 587260.9263 819921.7095 366964.3661 761170.1609 485222.1512 1242347.65 838383.6468 1471131.671 486184.9465 748472.1116 1012863.444 493202.0882 698280.7602 1231507.471 311441.8188 548647.3394 659037.0595 521922.8117 814724.7273 738475.7486 677412.8584 281817.4185 889372.425 316857.6864 452009.8967 961655.9415 450119.412 714572.1534 0 0 0 Aniline-2-Sulfonate 0 0 0 3533.538344 3068.079659 3916.43732 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2259.866221 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3098.27638 4066.951929 2260.493792 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4257.433179 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3030.95215 2565.1173 3009.099389 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7316.927101 0 0 0 0 0 0 0 Anserine_R1 0 0 0 52908.50403 48298.56438 50869.46967 54180.01274 53971.33019 69024.06002 73344.39575 18668.44482 33160.10781 0 53529.64406 26659.26141 86166.32899 0 29297.67568 0 29312.39514 83262.97415 79534.52603 1640505.06 55407.86687 34802.72378 27135.02836 0 254215.6098 181651.7806 71223.45662 64138.23679 60736.06566 59273.48097 0 41759.78368 55161.4743 36260.84812 589524.9347 0 19132.23269 151140.7011 61678.24678 0 75630.23392 49091.08059 45598.68757 46105.67355 21911.22186 27979.14505 748651.4208 13336.13724 52378.82219 21453.44215 21974.98616 53292.26234 80743.92854 179089.1693 0 166381.3521 0 86486.68381 0 84418.16672 174420.5504 15491.64643 0 73920.25206 23745.73934 12544.19829 0 0 0 98628.1108 28936.60293 71570.02127 1134195.537 0 51270.67924 74730.63525 0 198622.854 71674.04959 426964.5562 24480.43597 39155.3682 63397.48465 0 0 0 0 0 0 40749.54982 49838.62961 41994.11068 39750.61438 39729.93321 83938.76427 71577.3101 0 25128.11786 22668.07781 0 53424.80718 25439.22867 44363.75664 0 21159.32761 25062.07701 80875.02265 23900.58292 82666.63404 29564.16429 0 18802.40767 36259.84733 20855.75706 0 51037.49668 89503.90406 41066.20997 83791.78652 0 69794.42544 157405.0898 117450.0431 62236.25143 0 0 22550.66263 109632.4419 109490.0753 63041.68866 0 22431.22371 19633.0775 0 37812.9671 0 20867.39444 0 450181.6647 424607.5878 42674.41884 74411.22471 0 0 15922.07629 39458.41493 0 0 0 0 17448.88997 57031.83882 74254.66694 0 7254622.873 67017.66941 20710.37557 45872.01028 23499.85478 28448.13057 184864.92 60772.25693 39491.6412 44017.74519 112168.8763 0 0 18730.24801 30126.36095 0 39033.56737 111725.6821 0 0 0 0 0 0 53184.6817 53511.26169 56749.6413 60227.68542 56622.67087 88647.89771 86332.24506 53993.29484 0 0 0 0 26100.7104 142994.7767 0 15546.01495 36802.15403 96026.36485 38804.26291 15783.20132 20344.7865 85091.33342 23905.58778 42264.1544 2315666.753 49598.67124 22096.22125 45154.20776 52133.16927 83766.7666 27205.58373 11572.00545 0 0 46556.72693 0 7477720.515 31286.22854 26715.59127 20246.5595 112728.1547 13049.13173 23758.99816 75651.23492 0 0 48723.76149 91032.25199 0 0 0 Asparagine_R1 0 0 0 382565.7682 385626.7263 392686.6366 121795.3986 115414.3051 390809.6662 397274.5341 426177.2582 483314.1701 510489.4904 213276.6891 345822.8327 611521.7873 1074776.835 304428.8362 725926.6929 365901.9374 467419.274 455562.8469 455236.3017 505935.996 446760.5771 282646.9731 591606.6874 458063.1606 477759.1147 414722.716 435830.4803 122621.9006 366354.4254 505264.9417 332788.7876 209728.9256 252055.0716 638265.9665 247771.576 649810.4589 561696.4075 416522.3788 439434.4193 435050.2822 380606.6205 478009.7092 465623.1664 451861.8928 400350.1695 1017974.81 489292.1051 458283.2729 697681.3336 190046.3209 111682.7514 413787.5923 244661.2442 269546.7177 385900.7614 361162.5488 262148.3435 389655.5686 370847.1696 486475.7995 390991.3968 450022.3242 391706.6549 321583.2085 326528.4948 242694.1821 208822.9122 256997.5718 395330.3987 179203.0728 369685.4793 461930.2235 210993.5247 99397.94619 409693.9765 364167.9301 277666.344 384483.488 813231.3739 371838.5846 99360.26917 383640.3889 0 0 0 0 0 0 329161.8392 334243.8444 328245.1727 97907.95771 94082.7528 416784.4588 386186.5087 405611.4471 299542.568 388084.2603 627399.7695 434781.3625 344828.2959 589898.8263 300261.1131 600623.9739 295724.2834 389486.3521 240627.9555 395637.9642 459984.7127 318762.3691 281226.6647 284089.6958 369520.7987 592419.6153 492010.4529 444242.7027 103579.3712 435703.548 482477.3521 228480.086 597968.6233 258976.9941 385617.3283 808052.5461 674331.8224 458938.1386 316417.5609 346801.5099 342106.3707 228597.8967 381445.8348 429004.71 410957.4007 536789.9663 369690.5748 335521.335 311925.0186 906138.2237 925671.3456 108144.6407 421215.0984 509887.6728 357527.1838 731850.7988 546095.8089 261411.7877 306439.177 342407.987 307214.4855 274370.2477 615643.1076 417880.6898 674061.5248 560463.6314 290326.7504 285768.1154 425104.6944 304990.8031 601562.5755 706628.1573 291055.9907 540349.6697 105315.0247 479498.6372 313816.5718 800164.3181 683367.4898 350327.3967 368430.6855 92647.17416 499661.8861 0 0 0 0 0 0 429984.163 417298.0274 433367.119 128799.8803 126444.7652 504170.305 490332.3864 394311.6363 429308.4894 412020.3359 196843.3784 281148.9297 587020.7954 413119.373 675290.4924 852099.5881 570054.0262 504491.3069 814196.5416 433385.0409 309367.0207 705173.459 319514.8954 412449.8084 437704.2915 532768.1021 405037.0564 857560.0959 110851.1171 464076.5877 1108128.173 513894.2031 328247.0098 291272.6744 329914.7054 488418.3865 445087.5939 423896.2501 385421.2272 474172.3496 484019.5689 254944.1337 329015.0211 270514.9046 475466.9484 518984.8547 103969.2555 452688.5614 0 0 0 Asymmetrical dimethylarginine_R1 0 0 0 4041159.124 3889338.032 4153060.759 3769454.393 3590986.756 3840000.345 3898038.459 3531318.621 4890905.055 3141657.336 4079185.387 4558470.73 3422218.417 4747411.438 3209704.485 4211651.544 5364962.994 3861639.558 3598390.138 4063958.315 4741015.374 4746485.978 5326290.592 4298945.463 3185298.111 2498127.266 3371540.754 4905262.384 3946355.716 3372997.31 3227734.988 5459690.901 3794456.15 3634029.753 3487425.013 3993104.471 2214591.046 5217391.89 4512721.3 3146748.266 3956647.832 4739423.251 4508182.791 3303952.458 3513993.188 4014600.207 4681743.006 3943720.416 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2553121.42 1169316.222 3515233.776 2448737.221 2546471.324 0 0 0 cis-4-hydroxy-D-proline 0 0 0 25712.19619 25411.47133 23001.20905 0 0 0 0 47406.43482 118562.8738 0 0 17774.34042 0 0 0 0 0 0 0 0 16442.01671 0 32752.0081 9281.271821 0 0 0 0 0 0 53854.45595 0 0 10868.7589 0 0 0 0 0 0 0 60036.65744 0 53469.79757 0 0 2741.99334 44505.08696 8456.971962 0 64676.39627 1943.897007 0 0 36641.44975 0 0 0 0 31491.89325 0 0 31632.72373 0 100840.806 0 44250.31699 0 53494.76048 0 0 0 0 0 20541.84738 0 21176.23426 0 5641.985773 0 0 0 0 0 0 0 0 0 0 27453.05812 0 22506.73358 42458.21109 0 0 21071.14605 53998.63128 2162.767794 37745.31515 0 31237.32979 0 0 90106.0695 0 6246.275112 7992.033277 0 54197.25602 0 33764.18148 0 0 16858.4126 0 25746.57456 0 0 3952.042553 0 0 5802.648585 0 0 37356.08855 68635.09157 0 0 0 0 0 0 0 0 0 25912.08136 36195.15722 23090.79344 0 0 0 8706.637054 20551.76357 0 0 0 0 29724.82133 0 0 29770.75196 3472.108506 6996.356019 27600.56124 0 0 0 0 0 85418.95451 0 132933.1035 19039.94366 0 19822.10918 0 0 55356.39958 39754.23489 0 0 0 0 0 0 0 0 0 28341.9399 20385.97924 20700.54266 0 0 0 0 0 59660.59955 153768.9282 0 29053.62807 0 0 57122.08186 41979.16132 29175.19839 0 0 112607.3188 29457.98289 53757.91758 0 36347.7789 0 20183.27453 42190.06117 28800.58722 1920.385952 2746.110908 83991.64034 51908.77371 0 3634.659052 16210.87593 64273.84804 0 102761.5889 54187.41274 44024.5847 2469.940664 13673.42244 238.8815102 10118.16734 97026.88231 102437.3766 30426.46209 16673.92491 0 0 0 Citrulline_R1 0 0 0 1099994.286 1131446.846 1196885.326 1319665.204 1340247.245 915794.3514 929285.0435 868548.3911 717305.1605 673902.8925 729739.7467 1624656.668 1067507.617 608263.5393 1163684.189 2426816.045 1225907.973 931900.5981 893773.4804 1757733.931 1280947.84 1671444.833 1763700.954 3089085.241 994759.582 947920.7668 847787.5795 743766.7401 1323070.945 872065.4505 1187445.514 1295347.763 676327.6208 928697.5116 797387.4603 1058270.182 1273599.09 1152608.472 679566.2185 948186.0027 924975.0522 615100.8375 1071893.007 497551.2684 677798.5258 872524.7536 547290.3013 1395654.003 675051.7642 737776.0122 1001767.817 1171996.657 936921.9615 701082.703 1284139.552 629491.8633 863807.2014 815781.9926 1036989.467 565583.3049 522267.9333 719054.3037 1374700.841 907335.281 497929.6483 757709.6781 751104.5983 948877.6121 644247.4536 734790.4378 1041478.333 549952.1271 677103.9369 1201003.773 1155713.301 891101.287 751895.1924 1024986.713 719179.3585 906106.5944 558388.464 1080255.502 874478.7826 0 0 0 0 0 0 1096709.02 1213503.051 1126207.908 1252431.625 1135769.572 1044755.237 1043330.82 1506362.266 627589.2344 869455.4656 721083.0526 1201653.57 820640.1746 609197.2042 1055734.412 1024525.97 673000.1525 1001522.665 1435097.751 755717.8009 740859.4556 1373707.488 1119730.47 1855051.264 1032052.863 608894.5058 629902.3265 684304.8798 1158592.668 979638.6694 2491196.202 1227733.997 698178.6102 796539.4793 731729.2973 1257574.716 821987.5767 713278.4596 896747.534 1238088.618 838861.4007 1146113.545 789891.2279 988823.7006 1250986.192 860650.5644 716819.9724 636503.4748 589032.8339 893154.1151 998943.4043 1022058.466 903561.1734 1033185.007 538122.4223 729351.0642 784952.2112 840372.4862 1003199.948 781331.7965 677765.7562 520625.4528 949439.3335 868415.0551 954470.1 830775.7129 996872.2595 815247.0723 767712.9561 425938.8432 542322.6473 834471.4971 717636.653 695866.1123 940306.4537 983631.6498 1244779.412 897344.5647 945180.5523 717025.7958 796108.4539 983176.2392 1049388.325 0 0 0 0 0 0 1015460.526 1001590.766 1047486.61 1251813.148 1123120.679 1049444.91 977433.0417 847403.2617 847529.7346 704230.2453 848102.7684 1596180.052 1193595.175 1422476.68 1656671.058 826831.1592 1770338.533 984792.0939 746642.7621 916424.1974 834585.2499 607178.6887 1526132.131 897792.3668 803056.4867 1643316.77 1876689.019 507141.5353 1086371.364 934982.2582 852185.4645 1024043.402 926682.2037 1721265.085 1016117.623 1091883.301 1127024.793 583375.104 729696.6437 728351.7765 971852.0197 820866.6664 1096848.881 565208.3136 721644.8652 929017.6983 995946.7036 880906.3136 0 0 0 Cortisol 0 0 0 23046.06225 14487.86563 21630.80213 12478.69726 14654.87702 10795.3931 18911.25016 17899.44835 17854.37547 8375.224543 9830.307221 16506.60158 11639.08311 30008.13065 13913.20803 22004.61459 24012.46711 21982.77016 18431.35607 21573.58166 19061.16838 18759.24512 24502.35491 29854.04126 15117.77042 9705.209141 18707.51562 16684.60499 19719.17727 15519.38244 20348.38061 22785.42898 9776.082958 8568.32397 19480.47123 16674.89089 8543.977869 27272.01495 9541.589846 14675.32029 19366.98248 25640.06155 25354.79478 14495.2649 15745.36673 13117.47482 18430.80032 15041.14168 15606.11943 17572.87468 14487.66628 10178.30307 19881.12786 17390.65914 24341.52549 13881.41785 21371.61983 11924.87255 18623.01671 25840.71468 9900.093328 5805.634785 20473.82738 21589.62053 27619.34938 13398.14573 6718.583321 7849.932009 8810.022848 18972.27292 6461.167804 19825.14065 17413.49529 21338.00169 13887.64369 9864.287965 13151.20395 24151.31395 20449.84762 10318.38859 17889.61809 6650.185271 15318.43557 0 0 0 0 0 0 16365.29702 12429.09468 15901.66447 12076.3012 11661.22952 10971.16988 17649.58542 22922.21561 18507.29838 13500.87143 33012.55845 11486.72602 20044.70388 26109.3388 7299.226673 23902.69638 25721.62015 17866.04047 16107.22417 22746.74123 16230.61216 15405.71708 30002.87855 22281.45787 14286.74901 32941.75249 23089.23271 18282.2866 22398.9955 14803.363 32899.89512 18418.92408 18063.25426 7680.043281 9763.604819 24418.97002 19511.10509 14229.36336 23161.64581 21851.84499 14688.60721 18875.04881 18911.04187 16580.8305 21443.88941 17865.46993 19821.02591 20595.75442 17358.14276 12518.30925 12509.10389 7179.266542 17775.5567 13593.01833 8379.500165 22071.19682 10676.64429 9095.361937 13340.36298 11583.74178 13057.93255 14555.48234 13637.36068 19488.9898 13376.90936 19432.12176 14801.71316 10204.58884 16122.23632 21017.26278 6720.496162 29110.59743 21475.14058 8547.582011 8286.279551 13477.06797 17715.87592 10251.18377 11589.00823 13602.98885 25336.19376 23302.20991 15243.38116 0 0 0 0 0 0 14026.00216 17859.49587 16319.3927 21925.29963 20223.9402 18965.56716 24491.06921 21878.85263 12421.04991 30588.41773 17961.91299 17698.18449 21546.93488 13034.96946 24240.462 20678.5412 20334.11641 13546.8962 15430.9452 11508.08044 15898.4722 19769.49212 11929.24936 7880.243899 16210.86987 11731.386 14124.01904 8512.962623 20080.0805 13896.37683 21797.91658 16925.86825 10677.46132 15766.13738 14188.67908 27035.57621 10083.21752 11812.84997 12734.33085 29224.75051 17404.91691 9084.468252 17041.124 10937.67635 12765.06943 16889.38107 15807.1179 9821.355407 0 0 0 Cortisol 21-Acetate 0 0 0 18126.88383 18169.95149 18992.89644 2092.365897 3782.721979 6170.071832 7886.01551 0 0 0 3190.487899 0 0 2032.318714 6534.307438 9698.857826 0 12656.11738 3906.425759 3864.178854 11044.6263 11173.88032 6409.348607 26058.30653 1239.921234 0 3281.432625 23082.4383 6248.005835 12854.39376 0 12156.55439 0 22999.34161 11372.34485 0 0 0 8126.532276 0 10221.60854 2064.29598 17290.97919 0 2596.885721 2366.130725 8577.537138 0 3725.670122 7113.497302 0 2252.293538 11363.26064 7888.964673 15271.27556 0 11429.20204 2047.556785 5075.386257 0 0 0 0 0 2321.840407 3659.731323 10358.80996 0 0 11016.9943 4842.702243 2808.332691 7239.247564 16397.89826 7839.301241 12937.09418 0 9319.409958 0 3040.766499 1260.045985 0 9567.337965 0 0 0 0 0 0 16315.33613 11560.36531 12531.69866 6283.216809 9952.202406 0 0 0 12211.59539 0 0 3101.040716 2960.920691 4139.248249 0 16969.62468 11510.52223 8621.032184 8220.587814 0 3359.242372 0 0 12835.62448 18935.01949 7184.262471 9461.969169 0 4556.754824 6036.406488 911.5682357 0 1771.468832 0 0 0 3968.351789 5484.441627 0 4926.851728 0 0 6807.075734 11063.92758 0 7323.370651 18682.21265 1441.196009 0 4631.919704 6999.434259 2438.971262 3940.932001 1692.884438 0 1296.010576 0 0 8987.883286 8864.392757 1412.131762 7885.052868 0 10836.57195 0 28557.11869 3035.987894 0 3024.26234 2195.067466 0 6990.130812 19096.39044 3825.420701 0 3857.028698 2336.147546 0 10339.64564 0 4513.435886 0 0 0 0 0 0 0 0 13271.99722 17043.87188 13481.21049 9883.576397 6383.057485 11044.19703 9731.118118 7824.795485 4846.566647 15447.53555 11261.68739 0 1523.768956 0 4080.224048 0 3660.713046 13647.32998 3875.290683 6072.684295 5805.591962 21271.45538 6863.408347 7434.488807 0 6599.001344 4164.916329 0 0 0 3659.553334 0 5274.526693 6053.321259 1630.114799 0 8528.758939 0 0 16763.72627 0 0 7649.415065 6128.282259 0 0 0 6739.317581 0 0 0 Cortisone 0 0 0 13156.36646 13556.15751 12889.69248 24602.23357 24020.82961 13679.6127 14726.64068 13229.64013 18269.56699 12874.98635 12025.88008 7952.475006 8860.874103 7998.991944 19930.80205 28113.90086 15660.09766 10776.68577 28932.02978 9106.53258 14729.90199 17085.89503 20537.81786 27687.64161 6831.347944 5009.111894 15225.98305 16087.08689 21618.13033 9071.668903 10501.33603 10667.37561 12807.33328 16941.87239 20917.04855 7308.720395 5507.096333 14740.05631 8795.69681 7584.378638 11075.13764 15187.79513 23486.32229 23155.8726 8930.173743 16301.04638 18223.27713 9058.499526 11777.99002 8297.238716 12510.12419 24833.93572 9741.137461 16142.03879 8178.375459 6878.106736 11148.54433 9697.959336 19805.2866 7137.042934 6937.065662 4039.827528 10944.72689 6302.608478 16421.7387 9400.595695 8318.322593 12480.14613 2508.442992 14063.59727 5598.124433 16042.40249 13782.37026 12309.3797 17704.82947 12883.54022 9936.381227 15039.78924 7329.364302 10974.51167 9026.899145 21077.36477 6876.430466 0 0 0 0 0 0 8877.356422 14422.99153 13436.10296 14135.97375 11758.92965 12937.1583 10052.08652 12858.07073 9310.323687 13144.22126 17338.97362 7757.24048 11383.02487 5456.293091 6187.24043 11253.8255 7639.688526 11705.44066 7453.367175 9265.466545 13211.3514 9373.167427 12460.80487 20023.2699 21219.74798 6303.791701 9411.091273 8604.09172 7990.716785 8624.310576 28950.46901 22413.77339 10455.47538 4016.630398 5785.17527 13050.02068 5291.729676 9873.796703 15510.34923 13027.44728 10501.7909 8529.671304 12233.80345 9748.392701 9041.132812 9000.880368 20334.1584 11447.30727 16967.05713 9531.134068 9136.351955 13671.33057 4563.688394 7804.237995 6546.793056 9449.056676 8079.187359 7463.143425 13827.6542 4012.362017 5390.49965 14914.13784 5694.799494 0 5274.494417 13727.40895 7835.577832 7580.203969 11036.1465 16991.81425 6684.61215 8855.996842 23414.97142 4417.907138 13191.67931 26277.11615 11563.04185 17632.7746 8962.253564 6711.081811 11333.36112 18714.41526 16806.43929 0 0 0 0 0 0 14056.15421 1906.059273 6442.53513 17222.76581 12067.10886 11621.11171 11141.28075 7000.006279 12559.80317 20789.01238 8520.792161 12121.48347 6582.263138 6996.497894 13530.39836 15814.52051 4413.101822 13983.35451 16772.28307 715.4526549 4885.49302 11249.98796 6721.885763 11139.47714 11590.85842 12710.03435 5740.092974 2029.103984 18428.33817 9806.483141 10519.97353 10559.85301 11524.01498 9961.528611 7543.454376 14257.23405 8163.154486 9360.494299 10176.88975 12328.0007 25825.99959 8445.321018 11028.03696 10055.45672 3705.333438 5321.500386 16960.43948 22497.52438 0 0 0 Cotinine 0 0 0 2462410.874 2243523.783 2460807.407 620011.5467 690181.8355 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 740433.1384 0 0 0 0 0 0 0 0 28866.99172 0 0 0 0 0 0 0 0 0 0 0 0 0 775796.8445 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 647082.5343 0 0 0 0 0 0 602326.2403 0 0 0 0 0 0 0 2061209.57 2174317.474 2063672.567 626465.3675 623347.7669 0 0 0 0 0 4623.616004 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 659521.6169 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 626599.1327 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 579267.0941 0 0 0 0 0 0 643184.0094 0 0 0 0 0 0 0 1984436.396 2163091.07 2164570.201 779818.6505 682637.8086 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3994.608848 0 0 0 0 0 594041.8947 0 0 0 0 0 0 0 0 0 0 0 0 0 44626.18791 0 0 0 527278.2147 0 0 0 0 Cotinine N-oxide 0 0 0 1153158.447 904321.0348 1216263.802 388512.0034 316022.0151 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 372356.9096 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 387549.2994 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 282341.2808 0 0 0 0 0 0 288326.3479 0 0 0 0 0 0 0 785700.6705 894462.1546 816549.585 274782.4429 239269.1935 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 262615.4716 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 283130.0125 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 213622.7729 0 0 0 0 0 0 272192.145 0 0 0 0 0 0 0 814778.482 777055.0551 784729.6558 241103.0445 237470.1607 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 213131.7016 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 267552.602 0 0 0 0 Creatinine 0 0 0 155820040.2 153319475 156179055.3 154485121.7 155853957.7 122836205.3 123109138.3 107316226.5 131839430.4 114616275.2 103412968.9 162394402.6 114559016.5 153217626.8 97420268.22 137621290 119543590.1 127526986.5 104668747.7 114184135.7 134065630.5 115988744.8 166334102 140875986.8 118847451.6 107897030.6 104743403.1 116613959.2 153791843.3 120419431.6 98902668.18 116327556.7 98207399.01 97831417.74 110164093.1 153948212.8 106017519.1 146423059 110304983 115003032.8 119425603.5 116006912.3 146745396.9 107598391 103284714 97517260.48 104985427.2 124737124.4 117972532.4 118441998.1 93395042.05 151052963.2 117582298.4 134979342.6 149056503.1 124268463.1 111903787.2 106381319.5 121506597.3 139176512.5 102639988.3 92286020.44 121243310.2 115902384.3 112420626 119246843.6 117692840.7 120192553.2 113831715.6 110694746.9 109136810.7 137812371.5 90182549.34 135630876.5 143641449.2 116412264.9 104597316.5 123045471.8 130940517.5 98013843.43 124769712 142177666.1 118880702.6 0 0 0 0 0 0 154763552.8 155639453.7 152846352.6 154011252.1 149598587.7 129111366 130354187.3 106946941.6 139979547 114639522.8 178221576.4 109699125.2 131912072.8 142398156.8 152818891.8 150279436.2 141338386.1 127138954.4 126749323.3 132383604.6 135632221.6 121086911.4 138277689.6 133310385 154505972.3 166376716 133702929.3 120237601.9 147536214.2 124357797 139971710.9 99475763.6 143399145.7 98515057.95 112862488.4 127092517.1 176511948.1 119792255.2 91624338.51 158657054.7 118532426.8 136871479.5 152813861 115694991.2 115170832.1 145296071 141779344.8 155824858.7 139707239.9 108787274.6 108138888 143320451.7 121834726 116654372 97233914.49 105885431.4 109942873.8 143210652.2 118328528.8 149795776 93871736.66 127634966.9 105811628.6 120122278.7 119746195.2 131237420.8 123778347.5 105551624.1 104905690.8 112333723.2 96735668.53 125841429.1 118167488 103426421.8 137358509.6 120581538.7 124647198.3 87164284.61 144098958.1 146626603.5 118604367.5 141044577.4 125272313 0 0 0 0 0 0 142471545 145589681.8 145679047.1 147132200.6 144619428 123216123.3 116879726.7 130755353.3 112829238.7 128200618.6 124226403 134425174.2 127213107.6 132138448.9 122232179.5 100026411.6 109308532.9 118121032.3 82585160.38 118573517.4 116811913.4 128721068 110249369 98676214.9 120990391.2 106398829.4 114774333.4 96327652.63 139432459.3 116924894.1 108653304.6 110601217.9 137580529 137465233.4 105654571.1 115909941.8 107718504.6 103071380.1 142127108.4 107135212.7 116729380.2 90154074.76 104924889.7 87886028.73 101956262.8 152656390.4 140916775.4 117628155.8 0 0 0 Cyclic AMP (Adenosine 3',5'-cyclic monophosphate) 0 0 0 296353.4841 282061.3381 285296.4078 76131.71144 74334.53028 283755.3885 273550.4909 269088.7541 277700.4035 203083.0127 238703.1313 321403.424 283459.3943 399541.7203 133090.0579 251833.1899 313378.0237 279909.0823 230654.2813 190254.9455 357170.4793 249062.1826 481805.528 396645.916 146144.8383 221352.3349 226675.311 318346.9764 87716.15202 306715.7901 153624.4932 266531.9511 229306.9477 273586.6459 347169.9489 320882.2269 144988.8713 337108.6703 296490.8008 235333.1297 279016.6708 352833.7723 310017.8928 204242.0444 190683.679 293372.114 280794.1058 239024.4487 317107.9254 230764.6246 160624.4805 80475.85538 285938.3297 374644.2539 427101.9013 286414.3245 282189.1012 262778.7349 375867.2167 345399.6949 143113.8559 184855.8135 215428.8042 246432.3671 222840.042 284608.4252 361161.9293 185568.4941 180783.0552 211522.589 196370.9517 319253.062 190932.1947 306186.418 66920.76785 238405.9123 167032.3099 224245.5999 282256.2058 139357.0895 333472.5418 66508.96711 243791.3747 0 0 0 0 0 0 281824.2672 302001.5585 287256.5634 78664.53678 72786.97403 302520.4642 292190.5748 165874.9953 280017.5748 196439.0674 467331.6274 186837.8733 426236.9758 453348.2146 210833.4953 371485.8545 286305.9787 263770.3016 235563.6967 306613.4934 297289.5037 180606.3374 221199.9225 306334.8339 339878.0175 450180.0607 372338.2899 258491.9513 70371.4939 254850.0733 335933.8461 182056.1438 328218.5211 263206.0883 197105.404 213600.6663 476233.003 248383.0307 223335.1365 497523.1555 248362.7205 343446.9488 399781.5905 240192.1969 219437.8456 180828.465 338269.5964 342395.9028 292889.0235 184117.9042 195336.7417 69296.82924 239203.5692 195491.7613 187390.5507 196099.2794 189960.1293 247487.454 288053.3805 394131.4006 191673.5945 233092.9549 196607.8564 240473.4671 210900.4694 241302.4896 215592.4365 177749.1239 239849.4656 262914.0685 190537.3762 288243.9769 194265.4957 166725.9378 62936.371 246110.3605 209704.7686 112460.9707 261001.7889 272763.4938 201736.5345 64185.25904 262610.4463 0 0 0 0 0 0 276774.3829 274831.3049 283977.7837 80435.51924 77784.14801 288082.0694 271844.3217 256924.9215 278506.9863 293510.854 337499.216 260179.1344 338905.2695 226796.796 321851.8412 263182.1594 217884.4067 265754.3597 279423.6896 296710.766 295304.4342 329336.0318 210426.729 191756.3189 279188.8238 210278.2383 156459.2882 243014.0235 70231.84987 251866.9226 242117.0952 209909.4915 364353.8344 313112.2929 219263.9998 201073.4271 256249.6674 186865.2902 293346.8102 214301.8862 243407.2336 170736.0156 167190.1889 148748.083 169009.4864 246162.139 65126.52118 243212.4916 0 0 0 Cyclic GMP_R1 0 0 0 65202.03031 65629.97285 66665.90462 52232.12952 51875.31834 75917.66801 75345.41481 78575.11337 60075.57189 61962.3168 57542.9087 85473.99639 59206.73768 103685.3354 40354.45249 85453.41737 94872.38018 74869.69004 59147.40338 80731.93657 100461.9226 83580.23771 64363.46146 61906.14899 51856.72083 70630.97149 55282.65663 94672.39533 53809.1895 73598.13064 54194.38467 62387.36845 55454.22447 45183.74103 65269.34076 82380.19376 41032.12576 87229.5738 95171.51008 55656.9262 77190.56359 119753.4268 173070.6559 54839.99388 53208.04711 79105.69934 62350.36303 44838.22256 69419.88321 110404.2951 51700.0954 50709.52847 69430.56012 82242.90006 53092.12755 83376.44861 149234.159 51030.84036 82479.91693 98335.93941 64816.65287 55631.81211 38596.73543 65642.33325 90331.53038 71066.66668 77466.78367 49907.34353 62429.71478 76113.28763 61389.53056 95371.97991 50819.32227 60605.16682 46243.20893 63829.91973 63352.9673 58227.529 71412.61711 58854.32263 111310.4417 40112.21895 64145.22624 0 0 0 0 0 0 64017.14113 66150.89587 61963.31367 49265.92968 44667.74909 80629.02233 81010.28018 59389.98321 88025.30028 71126.00976 89705.93196 63449.02471 85136.68325 83733.9829 50904.24942 123206.8998 90163.80204 73328.96932 84325.55047 93157.74473 82630.51661 60311.43115 70720.9312 64572.00638 55055.06578 71130.22205 100473.4141 129072.6969 43486.63299 71646.52854 49792.18932 56757.07328 69458.99989 63272.54871 54091.43927 46245.00538 64930.89636 76194.71588 66776.12893 82107.02513 64192.79538 49841.77301 78685.44274 63924.93046 55580.34875 80547.69009 94523.25272 60439.20082 67809.17976 75886.84292 78613.31917 40273.43457 72131.61737 75206.75003 39986.89588 62003.3283 48383.53606 53631.76985 54902.20155 78938.14473 62324.54801 57945.25025 56219.8844 65359.70086 46598.71277 47239.69506 44639.17405 83319.32742 64664.4752 85780.64391 71542.99503 52180.6713 60481.27778 56192.71594 40186.23416 67667.36123 50828.55694 46778.87036 65216.69393 123562.0103 82571.97526 38590.95966 71374.39973 0 0 0 0 0 0 56615.68042 59790.99899 61294.55782 43849.17842 43493.32287 79277.19155 69731.50062 78848.53873 77982.40885 133741.5063 131989.4721 59227.62151 64107.78679 51536.97531 65984.83083 78402.855 52806.28179 73704.41181 54613.1859 80625.25461 57937.09614 51709.86133 45264.41738 57199.516 57953.25467 55361.72894 37695.24975 43679.26893 38425.39713 68106.88161 53877.69448 70879.26559 76763.94921 82628.7251 38585.96572 68757.40986 103723.987 76453.34613 64495.20995 59309.39063 66634.83574 50853.78608 58451.09269 51500.35886 73580.43899 64232.29343 35774.7705 61647.22535 0 0 0 Cystathionine 0 0 0 6131.415408 6927.079119 5450.600721 4534.506903 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6927.108434 0 0 0 4604.971966 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5559.827349 0 0 0 0 0 0 0 0 2649.479448 0 0 0 13758.96948 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6253.981521 5829.908094 5924.351172 0 0 0 0 3943.331974 0 0 0 0 1977.708525 0 0 0 0 0 0 0 0 0 0 0 0 1579.215128 0 0 0 2839.609117 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4557.433198 0 0 0 0 0 0 0 0 0 3264.760093 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4474.457367 6004.496557 4979.007988 4056.681067 3206.700526 0 0 0 0 3529.634675 0 1525.010112 0 0 0 0 0 0 0 0 0 0 0 0 0 3247.048784 4375.567117 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Cytidine_R1 0 0 0 44853.48516 49628.56672 47326.96287 17032.60919 13323.10438 27663.74729 26869.67881 0 0 0 0 0 0 0 0 0 39332.36992 33348.99364 0 0 0 0 0 0 0 0 0 68326.09814 15689.4322 30978.35442 0 0 0 0 0 0 0 0 78355.87217 0 34358.24866 0 395271.9001 0 0 0 0 0 0 0 0 18149.03794 29675.09423 0 0 0 0 0 0 0 0 0 0 31621.27827 0 0 0 0 0 0 0 0 0 0 14523.05499 24931.69932 0 0 0 0 0 14960.17998 25531.03983 0 0 0 0 0 0 38344.24549 51594.28844 37390.96976 19265.53369 11833.26695 29166.28901 31171.57528 0 0 0 0 0 0 0 0 0 0 29456.93635 0 39866.01277 35430.95355 0 0 0 0 0 0 0 17018.34991 25689.8822 0 0 0 0 17174.42471 0 0 0 0 0 29662.70912 0 0 0 0 0 0 0 0 0 0 15364.50664 31229.77034 0 0 0 0 0 0 0 0 0 0 28882.95722 0 0 0 0 0 0 0 0 0 0 16298.22563 32050.40048 0 0 0 0 0 17938.67328 35837.97523 0 0 0 0 0 0 47952.93804 46596.1709 43320.87214 18149.31245 15145.33834 31151.13961 36311.13798 0 0 0 0 115207.019 0 0 0 0 0 33964.28782 0 0 0 0 0 0 0 0 0 0 13784.14804 34222.11391 0 0 0 0 0 0 0 0 0 0 33177.81138 0 0 0 0 0 14532.1883 33661.74522 0 0 0 Cytidine 2',3'-Cyclic Phosphate_R1 0 0 0 2868.048396 2039.16732 2195.421973 36529.53581 38046.30796 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 36506.7799 0 0 0 0 0 0 0 0 0 0 0 0 0 34872.39687 0 0 3251.125838 0 0 0 0 0 37438.15307 0 0 0 4311.143736 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34338.2387 0 0 0 0 0 0 33937.56087 0 0 0 0 0 0 0 2333.969124 2724.865145 2692.74786 32199.39955 31794.23003 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3783.204221 0 0 0 0 0 36852.42222 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34791.00915 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 32765.5333 0 0 0 0 0 0 31700.38239 0 0 0 0 0 0 0 2551.854854 2023.762759 2292.662849 39000.62552 35019.37022 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 33898.65059 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 33192.61236 0 0 0 0 Cytosine 0 0 0 557795.9394 565690.4933 574535.6237 537129.8833 528169.3131 297494.4281 305785.9846 453832.1173 535671.7398 220561.5176 152967.8463 192845.4429 235028.6506 178935.7273 198637.9193 117483.7564 328760.5025 307166.0204 194569.1117 316017.7746 364070.0019 190788.7328 190791.2067 172681.7228 565334.3652 1076477.471 211379.9222 177571.7622 502729.1111 269003.8271 191360.584 114855.8076 141075.4307 208346.4797 168377.3323 95887.55963 201330.9156 215343.0624 163455.6435 246932.9256 272420.0387 310717.5022 208432.9743 103493.2462 385650.0156 205424.0393 160082.3467 146931.576 115100.8672 333226.1567 90727.84549 471497.4291 285206.95 194868.3604 140599.6015 180970.3148 243021.8509 2954.174917 262017.0875 184514.071 430961.0842 232327.5193 144721.0981 248268.6467 120611.2607 156361.783 124129.8488 807441.7177 130242.1933 93824.49923 272121.3357 186760.7508 286732.1974 190626.7608 440205.7417 249161.7927 144954.7367 227049.9899 233284.5448 154649.9091 118439.965 388098.1704 225527.3289 0 0 0 0 0 0 452679.0869 461007.8975 454170.8404 427764.8817 395756.3955 263484.9649 262856.5088 109459.4346 569957.9194 152145.383 352014.0504 242663.6827 127691.1135 155007.7594 192668.4428 247735.5756 580129.5229 249973.8198 85208.3858 133122.8554 133310.7779 429523.4206 138122.2948 610539.666 196934.9486 323776.1986 181807.7236 163249.8942 365153.081 223414.7711 89815.07975 1223602.693 1196719.003 173991.1512 159668.5495 216926.3991 176940.7783 412620.4172 230659.9995 548385.5498 196873.5453 146805.6011 441470.4468 185067.0321 102258.7674 201226.051 165101.7035 143294.9528 125403.5166 241747.2206 275590.0494 347127.1267 217691.2169 333716.0667 69991.18853 246897.8169 644282.8031 350848.7681 192925.1641 413491.7143 136029.6832 106929.0146 173308.3703 199703.4399 156820.1773 127214.9829 144805.5616 115711.1843 168112.8323 136319.872 312667.1545 166271.1025 78488.87297 183223.8224 301855.8635 214085.6787 84579.598 79595.12278 198611.2708 152833.1237 291389.6443 309123.867 240404.3356 0 0 0 0 0 0 411537.4713 396935.1642 421760.96 425348.8046 401009.0837 279896.5027 246954.1869 383612.1381 230796.4902 1459817.147 133923.1912 171338.8651 336906.8445 464670.5847 414324.7489 100387.5417 438359.5186 247677.1324 145442.8747 234018.9851 126336.267 167452.9664 349929.8463 399376.2023 148087.9646 432581.2779 127311.607 81220.32557 363060.0984 232466.2451 82936.75885 518685.0615 244381.298 126575.8445 106100.2088 530453.826 364542.8491 90363.30897 451713.4545 153416.8418 237358.4077 75218.28676 248600.2398 181265.621 97194.52112 192782.1274 346722.3259 219259.5727 0 0 0 D-Glucuronolactone 0 0 0 5161.929277 5746.328993 5059.229075 0 0 0 0 25606.65874 31254.50109 25127.3361 17051.22717 17592.63499 22648.97047 11625.16412 13366.68123 12273.71982 22157.67935 0 15125.46487 14322.10587 13549.78574 16373.25923 21980.67172 12285.99279 7833.644996 10402.5929 16639.32687 24928.23861 7244.624404 0 19199.07996 13653.43451 18487.66131 12761.97709 11140.15708 19093.81417 6412.592842 15894.13049 26481.99661 11116.60482 14294.57608 20771.89196 17327.51029 14696.00186 23756.30246 12024.3863 18672.27934 8982.425666 31513.21439 12393.39568 18966.8034 6107.525136 16850.45267 8877.340558 16151.38222 15942.60817 11463.73093 23740.33467 19182.40244 15629.63447 13550.54236 11742.49181 8113.518227 0 11251.638 11821.75008 15855.76706 12786.69937 18553.37224 16965.53968 8862.783593 12802.64438 15132.41141 19566.70679 1514.137123 14054.23643 15320.90134 10223.00956 19744.20244 10952.30279 14660.22727 3500.596412 0 0 0 0 0 0 0 4730.112891 5218.979661 4534.635433 0 3814.765904 0 0 8627.412764 13830.83714 12284.59687 13541.68271 11436.95331 15797.17251 16628.07647 10117.60034 9938.221576 13555.34191 10414.25101 12451.79967 24765.21 15234.79511 15631.44185 15597.53638 11039.83854 13705.99464 16134.02238 9976.21814 17105.47261 0 0 12695.93457 13815.99203 9622.19752 11905.48978 7221.054121 18550.4492 10701.09997 15922.83158 9615.526197 4811.247867 0 8279.078921 7945.003333 12133.97193 11956.21064 12456.53749 7509.282542 7579.320822 8155.243263 10297.30159 7354.630456 0 0 9323.679248 26732.0576 13255.54319 13124.91847 10544.94775 8003.785484 8031.178968 17059.32394 11897.737 12040.1562 0 8348.444403 13889.98349 8588.945046 10304.28516 11938.05663 10361.57117 6164.609753 12133.10117 16259.49581 15659.68641 0 0 13689.85715 14368.39487 11120.24573 13999.64171 14764.07541 0 0 0 0 0 0 0 0 5091.284482 6885.678144 3261.211159 0 0 0 0 10634.14646 9222.890463 9051.847375 13627.61953 14006.68793 20431.80627 10883.60197 11356.4 11765.09792 16232.44846 0 19463.00797 7557.418152 24906.86044 21130.79201 9228.104348 13512.50548 14888.78083 10338.84535 14579.52373 18176.16477 0 0 17797.06765 15867.55223 14368.6508 8110.347023 16483.20673 17245.8674 6960.47593 13926.27199 20814.54732 12004.31616 0 11173.73452 10441.06138 11112.56428 13129.92341 14233.49609 0 0 0 0 0 D-Mannosamine_R1 0 0 0 101111.2161 99508.01075 93169.79372 92122.22486 93401.53887 81928.41643 74853.06675 146407.6849 206354.7584 67067.09391 183777.3377 97813.50515 83382.90484 69321.55051 80104.38563 108696.4559 100393.7714 78653.24782 112654.0299 79043.07289 122603.6623 129694.6871 66750.26062 157959.2301 74421.89208 51704.24122 117069.4087 121555.7299 81905.5254 63872.34592 104347.9226 114468.7634 185004.3923 85628.39606 80659.7343 71612.02661 47113.92247 83578.09447 110462.5039 80527.44996 72118.8759 136777.4911 98930.67535 72008.92841 132928.9001 134874.797 190921.1613 106018.2761 104906.8093 274168.0078 135668.9393 82161.82312 72050.16941 69539.18453 75853.20381 103543.7542 75856.57206 84071.25938 119405.6756 98210.49409 112254.5799 75924.4457 84194.54416 75478.76983 90165.5389 89448.11496 59442.02306 182759.8538 69555.10383 66023.19712 45774.26708 98897.64422 118897.891 74752.54494 74785.43466 68566.72344 84516.91492 211312.5704 87273.60809 48048.17186 60856.83671 68339.28968 66635.55648 0 0 0 0 0 0 81715.94248 79461.62116 81153.14762 53933.49317 64215.53 81097.83568 76010.05828 131816.7007 68942.35386 94940.83456 115345.2077 65249.80177 252958.8008 147752.3978 92419.51032 119837.7495 65932.81706 73730.38824 109220.2192 62586.50665 207684.8544 93899.45037 144619.8184 100833.1214 84231.87832 105095.2939 98183.66571 159583.6507 57052.71639 68609.34877 46768.71362 220619.7676 171532.9441 188136.0469 44881.85262 126818.3085 80049.52844 139782.6278 96903.6821 35480.47658 48420.27466 52936.88911 53550.79485 90729.4835 62109.51455 40053.6918 78274.59021 73606.81804 56285.44256 49850.68987 64553.10219 55767.64338 68672.41383 86787.80581 51941.17632 94659.46466 103251.1803 69710.6213 88394.31739 44991.63458 70287.6073 46609.82562 55555.41395 68582.58037 108441.0691 138763.5191 71572.2554 69093.72419 99975.3903 128042.3417 167032.1436 138389.8213 111052.738 143659.161 53705.31332 72365.47108 86717.20533 39402.23265 117104.9408 63224.01207 96546.80868 47204.76744 86258.83776 0 0 0 0 0 0 86220.65207 82353.17897 91598.52288 78032.90319 78412.93945 81359.61807 78585.21697 243614.3832 227113.1773 205329.7501 51815.77604 100435.1599 103045.6769 223931.1408 94300.90783 59564.65841 84825.11163 88483.32122 92164.8381 236653.4846 95199.56888 98829.33161 65467.70314 385872.8399 158861.2612 86522.32899 73317.80857 81288.75998 71150.11484 73330.74749 100574.2257 148460.8929 210691.0423 66516.58986 102710.4115 148210.8366 237643.7931 133077.0038 117136.78 96977.35933 79075.16674 163399.8341 140809.4237 86434.83606 134388.8561 59996.77353 61237.15481 69102.67652 0 0 0 D-Ornithine 0 0 0 0 0 0 537.8190694 0 0 0 0 1757.530244 0 0 8091.287663 0 0 2142.958309 0 0 0 3356.413156 0 0 4356.83278 3476.539956 3691.245598 1106.946174 0 2264.766231 2984.671178 2372.339673 0 1264.105367 0 0 0 0 1867.735788 0 1371.881083 7607.302871 0 0 503.0506424 0 2156.263833 1274.152194 1359.232422 1527.861731 0 758.6705393 1481.767468 0 3845.027042 0 0 0 0 0 777.0259666 371.2719594 0 1236.087961 0 0 0 0 455.1579554 0 548.6190729 989.2121303 0 0 0 0 371.6684861 0 1452.498846 1251.823498 0 0 0 0 1982.540067 0 0 0 0 0 0 0 0 1034.298395 1589.885736 890.2737834 488.2322645 1388.370279 0 0 0 0 3086.387333 1916.649527 4023.702049 0 0 0 0 465.3019013 0 0 7233.770633 0 5130.329388 0 0 5087.078592 0 1000.510784 0 0 0 0 0 1866.15805 0 0 0 4038.677716 0 833.8045269 0 0 0 2081.089399 0 0 624.6578447 1727.051909 0 0 0 1301.998501 0 0 0 6374.097131 0 0 0 0 0 0 1124.780697 0 0 0 3593.792909 0 0 0 6032.057588 3300.013898 0 613.040702 0 0 0 0 0 0 0 996.9868605 0 0 0 0 0 0 0 1206.622202 0 355.6327267 508.6507995 4340.083272 468.5165426 0 0 1036.761363 2353.807401 511.6666908 1596.93966 1884.768516 2532.589502 0 3862.225494 0 1021.13059 10848.67059 468.8812723 0 1757.1624 0 0 7093.41173 1367.08696 0 0 971.7898966 0 713.0771763 0 446.3076378 0 820.5176791 0 9676.762175 0 2480.930043 0 0 0 1884.081438 0 0 0 3852.615732 0 0 0 0 D/L Glucosamine / D/L Galactosamine / D-Mannosamine 0 0 0 97805.96355 109916.6049 110048.1875 93563.74002 96241.19229 83763.37963 76985.48107 116059.5832 192890.1674 54248.69059 155497.4922 93170.98652 62752.73803 49738.04507 69990.23105 109695.2796 92625.81533 79399.97131 111365.3225 61132.20423 125614.5026 115111.2425 57754.5209 117406.041 56541.13257 29333.01648 94566.89465 105048.5951 88770.27549 64525.54913 99214.85906 121981.0554 167783.2982 71297.61633 78538.66388 53399.90724 37976.29509 72368.95186 95949.53138 73607.71064 73303.98124 120050.2656 90149.19075 46780.64986 127489.1295 112704.108 174691.3186 85617.90766 91739.49336 122101.7346 132671.8468 83104.19822 78706.6033 61925.87817 65487.69001 96820.88132 68448.03601 58389.83171 86556.12213 92592.90676 114253.902 55423.94469 67512.0111 72187.11193 85676.97145 83142.99253 49630.7049 151434.989 49226.4339 55961.47074 35536.4637 69653.42799 123584.1406 63732.75129 76725.10259 69673.60013 57492.73389 207773.7989 54497.83929 33106.89497 48282.6277 69966.62845 70672.50684 0 0 0 0 0 0 93231.68048 73327.7982 90214.32 64355.53543 65836.09286 82390.64428 78145.6092 120410.633 54520.64503 85994.04569 92680.12462 48173.5979 251054.3801 131600.092 87471.04978 104041.0052 54875.05098 78741.99174 95363.41169 52255.75487 175314.9818 76754.77657 116274.7013 87873.15572 65285.73312 88125.75546 81695.08204 139446.4263 61572.66579 69551.86304 30816.12139 134862.0011 189613.4989 199486.9954 34624.77877 135326.2749 69733.84467 108053.8128 70928.83389 22380.29931 48972.15236 24841.36569 41967.12176 78198.85962 45858.51705 31461.05118 63740.06194 51344.3395 38762.97992 44794.30499 57737.03065 56941.73828 69148.66664 70841.75497 38710.65362 81758.44686 89483.01667 50994.52853 86788.49712 36116.5553 58537.75151 38629.38546 36246.92217 70623.33012 64718.14947 74219.26248 41401.52126 48848.89085 77783.9122 104288.5976 141285.0468 120911.6048 93219.04143 128627.2606 54568.62125 74106.60082 65560.69054 28488.82729 86354.12671 39559.49145 80888.62439 49581.84306 87687.33996 0 0 0 0 0 0 74870.0466 85532.44933 72018.78107 80216.71819 86563.19316 82257.86231 79708.42324 278763.3566 181241.2567 166623.5379 43386.90403 75552.15609 79734.80351 225487.0907 69295.81546 52037.09078 64164.87544 90216.93347 79089.98248 116240.7096 78441.48948 71796.3362 40871.48289 397756.2429 115249.8458 78897.31807 66984.77857 65597.15701 76816.71605 74236.96429 87928.87678 112338.8221 236777.3637 55103.50281 71018.56007 141160.0724 108855.4442 93833.61582 91447.43834 81345.25066 80219.18251 166739.9453 129180.2187 60953.15647 124060.721 48068.78777 63084.63079 71106.69294 0 0 0 D/L Glucosamine / D/L Galactosamine 0 0 0 31937.00052 37416.4368 35090.97017 30485.06187 31377.46998 33380.52003 33686.75508 40041.94612 97767.98539 38202.83822 86771.87168 43883.69694 56617.58531 26304.50874 34473.16659 33768.03556 44177.67536 33650.74777 72702.83233 34056.54412 27840.3076 90920.84211 30979.90337 59821.77437 58895.72559 17019.84292 68596.03744 116929.2175 27295.41016 30400.23153 31342.35785 55779.31034 87702.67077 51401.49945 24813.46798 24524.64222 11354.95795 52925.55233 101138.3431 15931.22625 35851.82656 96879.95293 39934.06552 28204.33196 93145.15864 103774.9305 127971.4975 26523.81837 101562.1318 111974.3618 35528.97867 26781.31531 29773.0761 19797.68903 35040.02223 31359.28042 19839.86195 27121.31093 50659.49391 32341.23737 41045.61364 19414.34597 26970.75031 32788.06963 33702.47998 33621.03338 20727.82929 25858.22547 24865.59966 26118.77101 21728.72435 28358.21084 39609.46897 28575.93107 25585.03619 32237.91317 55559.41074 23232.66681 26028.68089 28486.47638 32397.89682 22556.38159 30387.95568 0 0 0 0 0 0 30305.0288 20993.19875 29153.33812 23107.2011 21868.60971 35672.29739 32884.69542 37753.22968 32485.88922 65271.94761 50422.35152 30460.83775 132889.1063 119992.0546 33336.02487 46418.83629 31486.83797 36202.69177 116309.3921 24273.93369 139353.4194 31730.26556 73588.93253 32495.64637 37276.57301 45573.3819 43507.26058 104541.6142 22017.67049 34841.26763 18265.69582 74916.33314 29230.12664 54719.75802 13039.62143 29719.13008 38841.41835 99946.22303 67663.68129 12498.49955 24721.72975 22836.23542 29336.16845 36786.09739 22039.49372 16457.70287 25129.91192 52407.94947 20570.70244 13949.60536 12607.70038 21595.54959 34932.2435 57093.46585 20117.63615 29712.0319 38064.53357 32268.42086 37011.58309 20988.84591 28625.75522 14994.36382 14093.49477 28816.98587 35779.61844 65618.39946 21144.00375 22055.43197 78370.44642 111984.6667 71450.66916 121787.7775 44046.20205 95597.90493 20712.35967 34979.39602 44546.66977 17975.62671 87321.71995 28803.80536 31056.87121 20686.01774 41942.30987 0 0 0 0 0 0 27004.06838 25737.79488 24774.3803 30627.96233 26001.65346 39092.6895 37667.66458 29756.30318 28366.24981 57446.24593 28280.76943 24995.58916 42815.39909 32911.62212 33116.0054 35350.04086 22725.09734 38659.66764 65404.51711 31740.8269 82245.59085 41350.98338 26287.72707 87589.83987 107731.1707 24566.02539 29878.39397 49679.10279 23166.41635 38181.41006 51679.95992 41660.83258 37064.92543 23109.0509 45473.93556 42621.28574 136416.094 32455.66755 70513.23838 27718.98385 34920.43701 29811.35787 29198.7338 27026.01925 34840.83436 27613.85309 25803.2789 35098.98473 0 0 0 D/L N-Acetylglucosamine / D/L N-Acetylgalactosamine / D/L N-Acetylmannosamine 0 0 0 195798.9832 202202.4517 116143.1244 102708.7769 88483.78211 504311.4854 449762.7254 475577.8319 633219.4771 545581.2668 333750.7896 474445.1562 432515.7982 343994.5525 362338.4887 384278.8727 522842.4114 519693.3408 447460.1188 461182.7527 545328.2883 693780.1055 575392.9629 745019.6227 486658.1123 472922.8111 492906.234 464701.1025 97825.79979 575578.2269 337056.3517 409858.4574 349087.3029 323711.7862 342631.6085 463225.4767 393052.4485 450149.0157 419160.04 453613.6666 520648.6686 406169.6387 357357.2689 445360.7758 437142.2869 382313.0006 502737.2556 605116.9062 526996.1096 531081.2576 337567.5509 112724.3384 499063.9723 781573.7767 718791.6466 348106.6496 491377.7185 748777.4027 383477.9083 448355.4643 626679.7996 530705.4891 556348.2874 433240.501 288451.2217 424762.9862 506497.6811 453992.6462 659946.307 489941.5935 510469.884 419812.2734 314056.7065 484804.1379 87277.53536 450057.8989 419884.6013 518543.0139 332373.489 278041.618 573580.9426 95734.66287 436478.7026 0 0 0 0 0 0 180178.6983 172695.4381 231947.3394 124457.2209 71306.55502 472522.7289 490742.2211 340798.8429 405432.2784 459445.3526 322361.9666 407243.3839 395739.0869 352302.7926 346500.6778 384559.6684 465900.23 425753.7244 466537.4446 437667.6231 368117.326 332905.8638 543543.9156 445776.1725 493503.3297 323428.9192 549130.6534 620733.1949 95617.35288 410580.504 249434.4398 384317.1779 499870.613 376522.7977 187502.3777 505204.2337 488417.413 623070.0832 290342.1651 556497.4511 373470.9442 251918.9779 506734.8405 325416.8602 314546.761 290698.3909 405345.2645 813818.1713 420234.1895 306320.7245 319577.2966 69741.41419 460139.5563 407919.6507 353435.3821 329002.2755 426874.0299 412255.1288 411722.1304 575784.0813 259171.1777 353051.2571 363371.765 404095.0802 419644.1135 481988.4111 269046.2101 285813.5443 397695.9012 524662.8196 447782.1035 417226.7194 413972.4797 459972.1714 85687.36575 420170.2472 461247.056 366306.6926 427920.1613 507313.5575 414457.4841 83763.28055 403354.5835 0 0 0 0 0 0 225139.857 200639.5438 181210.0846 63919.79115 69990.95729 411105.1162 402068.3901 275849.9168 481821.4551 356727.9035 279992.4122 349092.6827 364447.8646 359884.5374 579706.663 360233.806 316658.1055 418509.3303 427885.7215 511350.376 425570.9776 464135.4141 178669.2786 466100.6058 340324.9452 319169.991 431224.8957 482492.0004 72722.87499 422451.1635 327536.3914 492432.7102 327877.1009 438406.5116 432943.2541 401259.4044 420268.2259 257742.6035 429457.842 451999.544 397780.7536 837553.8108 250612.5361 285313.7559 211405.6286 389966.9625 89985.21894 361527.4796 0 0 0 Deoxycarnitine_R1 0 0 0 0 0 0 2429436.461 2277811.62 622607.0344 619140.6778 533428.711 317008.6702 592796.2023 649341.8717 430228.4566 674941.3574 1788819.211 456189.2765 2239122.339 166079.5361 616353.7882 423999.2136 817864.5294 665583.7395 1171017.269 1015099.924 1067431.056 627981.3979 685892.1032 467533.1269 276261.8246 2189917.453 571363.4584 595759.5641 194440.3685 670316.2534 716882.053 234853.83 696275.1887 185168.3389 303311.6203 261795.9952 480133.0111 582990.9021 1394777.319 933037.9665 873401.4372 1489141.014 738099.8088 903447.2295 351455.8951 622038.0333 1101079.417 405466.0315 2245296.494 575398.2536 459701.0689 465427.9253 270501.889 245604.7116 250478.4804 290634.3101 545114.571 238430.4464 322308.6185 331273.5889 525839.9665 136554.1663 885252.3713 761483.9666 426438.6904 275553.0633 176669.5354 1418518.105 504619.996 664203.7978 1464467.76 1846687.176 484125.8772 359971.5689 246328.0258 627900.6984 829877.6551 322504.3247 1793550.678 493811.2692 0 0 0 0 0 0 0 0 0 1769154.849 1643827.399 502985.822 535335.5053 274122.9489 475313.1458 395034.7311 495020.3008 676122.2995 230730.0152 626587.1061 901310.597 513714.8614 480482.5525 457011.3093 1024233.82 473461.1462 296473.3827 685117.9358 332119.7727 1083547.423 192747.7515 438993.514 487034.2947 423487.7135 1694908.815 492244.3935 586117.8342 311522.5417 819273.3824 272999.509 337343.9576 843390.967 348185.9787 246047.0916 1524307.523 786868.7414 504185.417 415200.3262 722649.4341 553350.0841 141804.2657 678049.9355 511578.6087 685174.4432 2019721.18 271756.0207 297228.1338 1710881.276 495022.0472 483285.1668 3332714.412 769977.0838 414020.3919 1139956.108 268401.6842 701134.7943 1149200.837 1884379.346 361438.9487 490660.3429 1525161.593 1266631.294 423863.997 1306141.1 261138.6486 280442.9786 649513.4044 286575.3639 642632.4992 420574.5923 1637574.861 537071.5851 249403.508 272367.3551 356423.0077 520733.7428 1125220.338 1749515.125 569696.9985 0 0 0 0 0 0 0 0 0 1863183.536 1815140.233 470688.6141 452874.3367 220215.4509 126351.2063 231695.0081 253561.1061 283501.6654 195871.6177 986186.0028 937546.1427 400731.1083 317991.9618 455726.739 231884.7752 119626.3414 184351.3267 263107.8846 928559.227 415406.5718 604018.9053 308819.3183 644551.6076 466308.3827 1611733.996 471105.0633 280948.82 504586.6748 593438.0619 809798.4708 187946.9355 566523.5856 377811.1542 149605.0025 317747.1049 201515.7425 418020.168 320545.0872 378653.7432 522148.9079 146953.9681 186389.4405 1438675.219 413772.7143 0 0 0 Deoxycytidine_R1 0 0 0 2534.646183 19768.02702 34983.97447 44188.49722 32457.5849 23382.81967 22552.82969 18812.70066 73455.37328 40484.52413 33402.62277 31443.45667 19892.87568 22336.88971 27673.88938 20529.61396 30863.30298 21706.39844 32785.35446 60728.77276 22116.57659 30575.10728 47071.43738 26073.34347 41564.03191 24165.94311 44391.41012 48692.12695 20165.99614 20470.19301 18107.59943 60759.47866 31576.51633 14528.0352 11531.97333 14530.14689 20197.12334 42646.42432 42130.69061 23963.63019 30022.40533 21865.05633 51896.9568 33770.81387 17704.99303 17024.34882 19750.10708 34846.42624 24593.75339 31160.59401 32352.30178 26075.84802 31279.16112 42213.47936 33544.72476 39799.15762 35810.91176 74395.69321 8794.26329 51239.29939 58148.5139 6943.740987 31835.41271 30098.24743 65555.89977 26360.71169 38613.95466 22357.04726 12648.79441 34166.49386 14988.12188 26025.21205 28725.44345 26692.48272 21599.41264 27645.65181 18698.78757 24152.21995 30410.67941 78620.33582 30789.50565 17771.64819 16439.29369 0 0 0 0 0 0 27662.92946 16580.03233 23295.71284 63672.16673 14843.1326 28183.83894 28904.43841 29305.23229 21873.05722 18638.33297 36768.74697 30071.77754 15089.45021 40786.96189 22735.10816 13128.86302 19370.06899 24884.83157 16166.2181 30101.82403 28758.93463 37334.1176 21239.54427 23123.76347 21988.31218 38983.45499 29944.48096 79370.03196 17242.15162 22325.57001 41085.60584 15027.59745 81203.07208 31130.36754 9460.163612 37233.39939 73613.12202 16213.72804 32835.70048 23573.594 26915.21157 27342.66395 19790.72173 22006.78591 40770.48767 34772.05201 23030.90191 32184.58431 15819.09935 53416.95899 45179.17057 18882.60621 27411.93601 24507.43363 10012.04295 11855.02735 27859.03906 23256.84065 13885.07953 27601.37348 22879.08062 10910.99276 9548.704472 24095.58211 17262.04448 28433.32926 38480.83474 19013.65083 20497.90409 15339.98235 21721.38577 28677.97116 29680.1502 40290.21579 18736.70016 30777.58849 22777.62086 19297.17603 34724.69823 25038.38558 14431.10801 17307.12985 25789.07555 0 0 0 0 0 0 28418.53757 22288.95713 16802.89812 32800.84738 21656.52414 32354.7449 21859.64417 66532.22365 15980.12399 31554.07429 12490.3914 18991.79564 25012.86474 39845.78027 19394.32653 63651.30772 23422.69236 30448.78153 25066.83292 12312.56097 19892.28011 120496.499 10177.02601 14765.76612 24150.31191 16893.54342 23269.72374 44953.80387 29602.82496 22182.92885 21461.4915 21001.37827 31130.79061 51177.47327 30508.20353 13835.13653 37416.34948 16111.49165 21781.44796 32925.32489 21784.3997 16898.43874 31571.65556 17998.78764 21268.83609 37428.60079 16149.22497 24487.70317 0 0 0 Diethanolamine 0 0 0 23695.38832 16432.24718 25064.28534 17181.90865 23544.24191 21493.46181 21271.25839 18923.19051 23629.31884 30009.68207 23884.99414 22293.22946 18360.29762 31263.65649 21832.07519 16610.80389 27882.74721 19269.39108 19181.23627 45650.78383 140048.4746 19588.11357 26769.91485 17618.44593 16775.93428 22531.00287 18912.30938 20864.7423 12514.68474 22937.88322 16053.70273 27386.83807 23991.88751 18278.63281 17597.77936 17949.27228 17092.17895 23360.78617 21475.87483 18248.97292 19196.02472 38719.03136 22636.51419 12746.76995 21011.81294 23519.69715 17004.76325 18200.25541 33650.63303 29103.58402 18352.39087 13443.32948 17842.81274 64070.94037 35810.67804 22734.01288 17705.69301 12070.20114 38557.88271 25983.87047 17993.48521 20702.73898 16757.65765 20055.91402 16486.04787 22553.43359 17825.88224 17406.91775 21395.35562 18947.86735 23635.96819 28187.79925 25499.95602 19629.19712 13003.78488 21513.11673 17788.58937 26595.15551 19815.91702 22034.59907 10467.65001 11597.42897 16038.95999 0 0 0 0 0 0 24983.89653 19337.86311 26721.06498 12511.37079 14735.36924 24621.91637 24916.62606 44486.85286 15569.34073 32663.11111 26468.83589 23086.07893 31841.76734 28712.83004 259992.4306 30946.60814 15771.67685 21594.81336 21618.53 21295.55148 35647.14334 23086.30561 32976.73691 25953.62598 24824.03895 20628.00222 47247.13136 28838.66795 10945.08043 27460.41443 19746.04842 27646.73516 36284.90193 29627.6883 32058.58286 24389.60675 23742.3893 19063.03207 43392.90987 33955.23445 22409.21319 21851.14904 23049.23306 29301.79846 23169.17824 23993.61218 45236.46581 25603.14057 30695.03592 16789.61078 23131.15206 12977.99087 22790.53202 26393.71497 23090.42107 24116.63363 25638.77605 23163.80488 26484.09892 26984.44173 23595.76803 25132.87389 41158.3976 26319.54662 38813.5472 20389.3432 23788.87418 41442.12419 19449.80758 17572.3523 26934.02399 24768.40973 23816.92515 24261.21968 15240.84389 21768.19106 26536.27972 21720.34886 36508.23774 32160.01761 17681.37533 15607.81406 30658.94806 0 0 0 0 0 0 17726.59949 19450.20104 23320.72781 14721.76264 17363.53248 24357.87487 20460.76829 39400.67286 41510.17391 27973.85313 17350.94222 28802.58798 30837.05328 24109.46287 80900.33982 21822.00602 20138.46736 20969.73154 25832.57617 33849.81818 24951.91051 19911.6383 57367.37812 26182.86062 36089.15608 20558.05409 22868.66375 17351.52339 14357.26559 18414.14535 24007.16413 23379.38923 27628.88471 19478.74472 21424.28094 22860.60745 18156.46886 20404.71342 78654.20176 25465.15237 25274.30599 15693.26608 17212.63225 20057.04859 24431.58763 25637.97583 12876.46692 24931.26986 0 0 0 Dihydrobiopterin_R1 0 0 0 1507985.771 1450878.364 1624337.42 545512.4886 534576.3208 894435.7466 994718.6069 789645.7875 880613.4108 1289841.68 490977.0171 955562.2461 780008.5968 1393790.456 582112.725 854110.378 892955.1346 1041512.853 532697.3614 1124362.82 2091475.517 1000459.931 1548657.583 1052541.913 788771.4365 1171596.692 472283.1293 953174.2296 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52650.05526 48406.56753 63030.33294 35446.90818 65104.32651 49180.41394 33089.77979 29826.25894 28309.47722 52761.97754 41491.30979 27815.99049 24801.67526 33666.25712 34082.54048 66513.0414 44188.46519 58345.20024 32107.95391 27707.60176 30924.54348 43296.49622 32972.6908 35518.46097 45940.7634 29040.11024 27791.38351 40166.79914 22615.76032 41394.94275 41395.69871 24914.55661 45151.78335 41670.63734 52531.15098 28477.42797 34343.47338 43758.35674 49002.33029 47408.9719 45206.24874 0 0 0 0 0 0 63023.48999 66116.28626 61435.14272 64433.21296 59449.09642 50655.86854 43846.4181 39220.34424 32480.4953 57610.7064 56125.01937 56950.49603 65269.51029 43032.74188 50024.664 37883.79708 46138.96421 48993.9389 23914.76206 33522.74578 58893.14274 49403.0119 34838.15151 39924.50875 41140.03328 44373.17145 39254.14592 22509.79546 61831.22134 44897.26176 34919.95514 43860.42413 47003.26867 67125.3906 31889.97889 39191.46395 25471.96062 47271.9469 49215.75017 33629.80401 46652.04893 37101.83337 46868.85552 31835.53696 45563.57166 50670.30113 52713.3389 40851.03351 0 0 0 Gamma-aminobutyrate / Aminoisobutanoate / 2-Aminoisobutyrate 0 0 0 280418.5313 280131.4673 269538.2297 765156.2169 745030.5837 686905.4481 677663.1886 155032.9569 260171.5982 234814.892 237826.094 1088057.91 169875.4448 794487.9115 113163.7561 4946416.248 7282407.904 714495.5593 247695.0838 169984.0688 185201.2039 235434.8615 384440.2998 204079.3972 252256.8346 126958.4021 212696.0169 236580.1434 747187.2642 650276.0821 169355.3291 395378.9576 218084.1607 4829841.161 89187.74887 151805.8044 313056.4595 590860.0239 218805.2611 284785.0202 688923.3614 140327.4438 3665348.903 213284.4061 124521.5016 750347.6851 295035.0214 94718.25152 649462.2471 72400.33446 436359.5758 751594.0671 660163.1883 133971.5345 288974.069 206050.4477 98996.98937 1477504.614 276660.6695 67485.58407 145346.9584 200591.9283 85897.8113 619734.1141 115261.6262 206468.3189 500854.5816 281569.8147 373877.5304 1888155.787 1284479.55 71345.54844 255379.286 165006.4858 724107.9704 658664.8255 480119.1498 246611.824 136725.7001 395897.678 236652.37 739399.0572 655570.6778 0 0 0 0 0 0 274679.437 266945.1566 286004.1226 734915.8738 761549.4467 739574.9711 730362.4091 70306.54226 142702.1974 580732.1097 77905.86863 84464.55607 374088.0195 979031.2928 286124.3317 5529715.184 140787.3841 758547.3637 1277079.534 2209154.514 208061.9443 632535.2216 171572.649 98644.61574 157181.1002 80923.17442 315168.7755 385647.4506 740654.2068 754908.685 650652.2373 270747.4365 186044.834 480493.9965 346057.8006 200981.4529 242330.3261 264725.3652 113946.7615 4064628.573 686999.1231 104267.5691 3185850.846 59742.30524 127536.6398 196334.3575 326480.3874 1132601.66 376430.8155 111841.2922 144860.8126 773266.2622 746206.6913 240427.4432 3910281.789 210985.4766 263997.7437 343445.156 296076.608 3107294.82 876851.497 378990.4402 608027.697 710250.434 99047.38177 132604.3647 168294.0519 177751.0297 232813.224 618573.4467 145610.678 221159.5839 736288.8267 546572.0425 797215.2 804407.3143 229610.7545 259965.4847 437273.4368 182801.8895 225347.9218 772546.4323 792804.3582 0 0 0 0 0 0 307675.8492 296263.5224 299364.3212 838216.7348 850073.7613 802957.0837 810720.5067 64387.57869 107942.0778 1067521.483 51396.21405 209992.048 349689.7399 117288.1958 356100.0187 83539.6811 234749.3013 828719.0439 2278099.804 113392.4015 1814429.56 69350.92775 217295.189 239871.1169 192399.5339 219559.1283 321610.2321 292019.7766 770990.0398 742345.7375 369744.3548 255612.9302 300630.4335 323150.8988 177943.5557 245492.7049 635802.8054 471899.8874 7566416.854 275724.5243 764576.8843 385182.9184 115720.8851 497743.4519 501988.7654 79210.75551 734277.0212 733432.0607 0 0 0 Gluconate 0 0 0 7308.166921 5705.898083 5817.082808 8171.306451 9327.414128 0 0 0 0 4743.094657 0 0 4105.288731 0 0 0 0 0 0 0 0 0 1567.329951 0 0 5068.75729 0 0 7455.32247 0 0 7474.93052 0 3133.292964 4063.523239 0 1209.246728 0 0 0 4884.830885 0 0 0 0 0 4216.961948 0 0 1342.72926 0 0 974.3650367 6921.539428 1527.455323 11429.9266 3162.229966 3529.311583 0 0 0 0 0 0 0 0 0 12539.71031 0 0 1456.074944 0 0 0 0 0 0 20154.5929 0 0 0 0 0 0 0 0 0 0 0 3769.050601 6009.41798 4922.113329 0 3348.787152 0 0 0 0 0 0 0 0 5116.931776 5651.847758 12646.32145 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14318.76332 5484.612182 4266.675922 0 10965.25691 0 0 5604.422171 0 4364.308472 0 0 0 0 0 6071.907415 0 2844.542911 3269.094464 27521.89642 25844.78997 0 0 0 0 0 6443.87933 0 0 3973.879898 0 0 0 0 0 0 7611.622372 0 4144.59448 0 0 0 0 0 4005.384605 0 0 0 1982.737484 0 0 0 3951.053897 0 0 0 0 0 0 5212.949622 6441.967357 4927.884417 0 8411.189805 3863.822037 0 4125.322628 0 0 0 0 0 1600.7073 0 0 2059.685656 0 13999.78729 0 0 0 0 0 2209.117963 0 0 6953.711606 6515.654639 3069.19228 0 0 0 0 0 0 6309.369715 0 0 0 0 0 0 0 0 0 6069.249217 0 0 0 0 Glucose 0 0 0 72108.08842 61564.69541 67419.20498 107003.4849 110831.5315 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 111344.1705 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 93646.50026 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 65544.29456 0 0 0 0 0 0 59633.78948 0 0 0 0 0 0 0 34891.53632 34578.23586 32683.07297 78410.92549 74201.10464 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 79341.82193 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 81730.53822 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 75704.18975 0 0 0 0 0 0 80196.56633 0 0 0 0 0 0 0 30810.39388 28913.2352 34505.40894 73661.54547 70372.50919 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 74389.0051 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 71340.44653 0 0 0 0 Glutarylcarnitine_R1 0 0 0 157165.4873 148685.1782 126025.7763 1581030.193 1501306.757 1014184.272 975196.2005 916719.248 1068405.344 1257756.731 670473.6641 1431131.228 1001841.884 1763796.72 1575277.592 1790102.2 800912.7707 1140861.201 453295.2187 1221306.987 1272266.919 1298174.293 1609194.792 2018841.629 1001960.397 1015761.277 500861.1773 1053390.454 1678581.298 1079268.63 933259.3822 1479554.425 688191.91 594853.185 1359674.247 2077781.594 1751918.412 1148457.578 967816.0893 1968106.96 1058277.142 1151473.517 1971988.832 719932.726 542770.0469 1051379.493 716288.2273 1102143.805 883369.4374 1148763.879 1090591.186 1622517.703 1102482.698 1690025.664 1550763.037 2263162.858 1401633.77 1135459.336 859160.0888 679213.8985 539716.9559 1056211.506 1141890.604 897973.6901 764756.0669 835849.0858 1413758.393 2147625.161 1012538.11 965739.8582 854188.4939 614721.7412 770848.9044 1222045.226 1388778.197 849252.5362 798260.823 914526.5738 1105107.661 507041.4959 804772.6906 1402255.208 902259.2351 0 0 0 0 0 0 87427.81395 96481.66941 86040.37833 1297292.295 1270134.009 882035.8198 871698.0594 1371638.179 1138806.194 887247.5887 1692950.899 790064.9993 671750.0283 875563.3476 953256.9102 705422.1422 1200331.663 862741.5867 659547.316 1458235.173 919472.0664 581811.8263 740808.7188 1131939.543 1192444.696 1428105.475 1065108.555 483692.275 1132789.815 823662.5106 960791.856 460247.5088 1012976.166 607845.7788 1393419.227 1433951.874 1174634.007 916442.7827 506622.0534 1687145.529 800180.6886 941413.4676 1086794.818 788326.0459 892359.2091 1008295.632 2050157.411 776692.425 977047.0928 1351995.759 1331669.389 1162962.464 868914.1335 720390.7896 1302317.494 778653.3321 813996.045 1163552.717 683762.9234 1003168.261 1469130.066 887878.9738 726421.2086 865078.0536 616315.8968 658458.4396 1835701.37 782642.6671 873570.586 775533.2335 372996.0063 781692.4953 812270.6165 760892.9862 1026273.064 947784.1706 1434610.146 706342.9288 372111.817 1198280.172 992262.4692 1157785.515 1043935.019 0 0 0 0 0 0 87609.44193 97476.54534 89826.62004 1355503.56 1290835.05 956974.6485 930904.3804 743457.8193 813143.6735 943514.779 874787.6497 1168795.091 1416104.802 1019384.673 875022.5878 453906.3307 1559208.968 895658.703 541293.0634 802662.4261 804800.0167 1270704.278 802620.4056 433807.4667 624128.6866 1542057.761 1266393.207 382678.4205 1112038.091 847536.8104 606570.9662 948656.0277 733436.8936 1245239.877 427305.7524 859434.0526 442969.5007 635717.3698 654980.2581 801641.31 840889.2153 886719.7182 461029.2337 539084.6749 634649.8515 1334591.171 999123.1165 758722.378 0 0 0 Glycine_R1 0 0 0 96911.56722 89186.31968 96898.39454 131908.119 129475.2368 114858.5379 116327.7034 119521.6951 55886.01494 99160.89228 58533.87351 167385.8577 147926.9089 296762.3111 64388.57554 175198.4502 117226.7522 118957.4568 105522.7324 104661.0028 140702.9176 103324.506 61960.09798 113526.0394 121274.7929 128782.3781 106187.6091 156741.6678 127218.368 115045.461 57734.34621 114676.1793 55142.72503 59255.73673 142117.3181 238356.7954 59299.81666 168220.8762 140941.4194 96609.42926 115083.634 125112.3587 137003.8631 126231.8882 172440.8564 122787.6515 129100.4427 93297.97014 116993.4713 99917.08394 84820.76613 132991.8382 115514.4877 137223.1495 130121.3876 99120.73209 134118.0447 100777.9995 209057.7886 93481.71615 112213.9956 82030.54007 90957.0525 109638.6115 53274.35939 120870.1197 63853.61061 99105.84561 99864.91082 65288.83004 77335.41761 97751.98618 80125.49864 78883.09305 114303.1498 108476.1223 82344.40705 111281.3462 141350.9024 117109.6394 104555.0311 112356.3096 102553.6533 0 0 0 0 0 0 96138.44167 100119.2362 95264.1316 132777.5191 128982.6678 151295.9763 141979.7257 78100.7015 73316.44216 112606.0456 141865.6139 118642.8596 248036.8186 162289.0009 168485.6237 343474.3629 76606.38167 140659.3873 162752.356 159734.4209 155115.6137 176502.246 142080.6184 136490.2557 168699.0006 126688.8109 253080.4977 160492.0868 132940.3942 146942.2103 207909.051 105564.8896 215732.5952 106132.177 148354.243 113397.5974 194384.1691 180064.651 133440.3084 261771.1507 131972.8803 91922.66831 164663.8413 135059.7456 155842.5833 209301.4443 110901.6076 258924.5482 141648.1554 107520.8773 113902.1121 131920.4805 145059.7795 150066.2554 85708.20063 143669.5481 123701.0339 96071.47708 186123.8503 148749.1349 46878.07102 106783.5858 139344.7993 133624.0615 181116.0107 184794.5917 96294.72804 108565.1958 120178.0531 250469.7851 121244.6314 148933.3598 145437.5364 99351.51921 123028.3678 149260.8276 176835.2298 74436.62217 113059.3773 111603.5237 219262.8164 122872.1595 163614.7957 0 0 0 0 0 0 116919.8074 112408.2208 111820.8612 162619.1083 150943.7171 163813.2247 156059.3254 99106.35457 96183.06552 161408.0663 296820.2352 149736.6842 138537.8611 134913.5892 136749.2423 95047.55843 182407.2152 154149.1066 119339.4586 96760.46173 134386.9186 113706.7329 105145.0589 95115.63004 72400.8757 167626.0255 94753.71924 111226.5504 129774.8758 141383.0053 123655.7942 112138.5052 194548.7655 78744.943 124746.8759 113530.8863 163152.0465 101849.0462 298391.0308 150834.4597 139422.9942 124195.8935 135710.8395 91817.21227 114256.2415 87801.8257 118582.9147 122433.3874 0 0 0 Glycochenodeoxycholate_R1 0 0 0 62159.90568 62826.52992 62581.39781 99943.99073 101437.4044 73103.231 74762.7264 11507.21832 40675.00733 8825.634318 4653.594889 132382.0667 24356.55049 50101.78343 16450.52648 41429.54692 15022.79367 80850.22179 5421.34698 23386.26549 135762.8672 309098.8287 128063.7577 9372.409634 18817.11718 135679.0239 3821.399943 27676.69593 96338.67769 74171.11918 33736.66601 56476.54181 4010.204082 18571.98642 52136.89741 173041.6894 188715.2723 99067.94058 30449.66992 34546.69177 75830.34197 90260.41594 32325.30741 70170.90778 155883.8723 322408.6263 37823.36028 48014.17354 17438.93124 86556.85097 73641.66033 101027.0042 73800.29563 87503.6169 150257.2993 182721.8688 78569.01366 87522.79843 23225.37041 17886.611 31439.55806 27405.68642 48129.43858 71665.0275 64166.17735 87459.63975 25036.24767 74002.42738 86343.30953 17859.62763 17810.75545 18580.93088 30996.51317 142010.5484 82430.25418 67097.64564 5416.215697 38175.21958 5210.396725 11582.49736 32116.63082 77003.70287 63419.45562 0 0 0 0 0 0 54463.1091 53147.70508 43840.79626 78734.41386 83059.73661 67264.22386 65941.47142 54482.97598 119776.2699 4779.185598 269547.0164 135731.3962 47474.59534 27725.54658 80010.90119 5550.194393 125564.6012 71885.59001 35630.59583 18440.22831 19998.52638 36621.40076 16262.70285 147013.2161 89527.30823 324993.4899 94730.25175 19472.42295 74299.67632 66886.42802 4451.009158 40986.86209 212492.3183 22949.70327 205280.5107 126484.3218 115777.4213 99245.03408 72011.4728 142036.2757 63377.51282 57438.52779 63212.40334 14592.00376 14379.26445 200295.3463 43995.34019 255240.0116 28733.92646 4758.544332 7860.890932 77029.17363 68451.7683 10683.82941 110145.2252 44635.34645 61179.90749 17676.22607 16022.87125 57402.45166 27003.90168 27350.25071 18017.75116 64095.28868 53392.26719 114451.9383 228206.0223 53645.57961 23543.52657 104527.3138 55854.19337 34451.28729 16234.05928 155211.7533 71739.21449 63319.4631 46304.99265 58626.61089 40529.334 33873.55176 9169.922852 80071.60481 68891.07615 0 0 0 0 0 0 55823.70121 53850.99302 58469.35545 93286.64655 86974.98585 61687.83413 67425.45508 38168.9558 114290.9239 85916.5273 46371.91236 153116.3358 78804.10034 10874.28852 56543.94705 23126.7312 160622.7306 62619.74473 67544.12984 115295.6313 107826.7499 167281.003 9420.987911 38369.58468 79030.40053 173282.0459 42661.52012 38235.16219 83070.59915 58490.85341 25946.7209 20192.23695 5586.568259 21378.53156 48522.84773 19040.83558 39837.57863 32682.05611 6224.571905 57702.41813 65367.22756 20522.48238 33159.09698 76450.61951 32734.44105 23113.95148 78170.61466 58721.94754 0 0 0 Glycocholate 0 0 0 53653.54151 12506.49193 53978.42399 42057.7316 40228.76277 34055.48176 37800.45573 40473.72685 82295.3453 25152.53127 14294.88155 143380.9897 28130.75297 131871.8597 66269.14258 45294.37024 19137.85216 57355.20727 20830.90089 30188.17133 61429.80205 71095.16888 22368.11395 28477.48838 55197.84197 46350.35545 14211.57524 21333.70027 39171.1429 41744.58027 41004.17965 25879.9519 16804.50496 26872.51302 88632.21478 28909.0669 48160.37777 39986.20804 18608.07929 34788.84703 34807.20168 58823.26584 25062.21777 63258.3267 89551.02863 52234.60287 92889.97261 53517.46152 20826.0235 37585.20953 14304.30344 49704.0866 46314.37672 83790.39105 81645.0969 48799.30124 92925.33749 61024.33979 47377.67857 33047.00697 14144.55526 17714.95301 43922.10029 39084.78206 49579.94706 22589.96956 12011.89538 37915.89109 191669.817 32431.87558 38153.31233 25881.43903 20696.719 37710.26887 37877.13142 33077.14205 15781.07137 28887.57912 29356.89731 15572.68226 69599.86727 39721.04754 34378.35471 0 0 0 0 0 0 48642.23239 26558.55517 42973.14684 37053.8668 38280.17393 45464.27228 36766.1074 23004.45768 77361.15065 15876.36181 145301.4573 23893.82045 28058.62915 25598.75604 26829.75375 79721.29885 87387.46997 36682.53097 15869.87274 32781.24608 13698.20381 17116.38189 36819.76383 37452.21451 38511.40363 147032.5274 45094.60772 54982.81696 39939.74488 38288.49216 13312.69216 24814.53725 42543.06313 17613.32844 35455.3647 14431.90344 79746.02133 77845.8823 15354.81692 56756.43651 32350.0398 61731.26656 34311.45254 47055.50302 56137.13719 65154.56214 38994.28465 62489.09701 45016.3612 16375.79323 15983.41324 27389.12253 33747.19441 32553.17819 33050.26351 18735.15322 28044.54943 19546.89441 29980.84406 20960.54004 32977.26178 44865.75734 37488.74352 42093.44299 42619.78679 20132.18772 30605.45899 30960.7984 66442.43217 93774.5128 38167.93534 47112.52425 31797.1261 39571.2151 33667.84748 34179.66619 81674.72917 51721.5876 54489.34332 35689.73053 24261.8875 39791.44287 43740.95363 0 0 0 0 0 0 49546.56339 55536.49269 46432.12481 44830.759 37134.21623 35789.59396 43399.00622 29898.54996 44818.04567 61689.60763 21295.86913 48002.42921 31124.34503 64097.37186 25722.22764 74804.93559 45209.41109 41520.03039 26320.37255 42790.80946 28997.73891 65164.22467 41557.35209 22851.75255 30160.57792 42227.46223 48651.17428 24675.19246 41627.61172 30284.98442 24573.53652 24439.69686 29997.35338 31814.77971 15786.59123 24286.30114 25972.42313 20857.46367 20331.55092 40630.31596 38543.28613 145422.2632 16582.31331 20620.37419 19667.6931 86491.34336 34513.12471 43678.90606 0 0 0 Guanidinoacetate_R1 0 0 0 9902557.576 9546549.1 9876555.835 14352151.63 14230638.45 12579913.36 12717994.51 10945883.03 3458559.514 9646235.898 6381797.744 21266614.11 15662499.84 33259546.2 6844284.315 21604682.49 11952896.35 13290184.07 9700458.709 11190865.36 15973329.47 11136599.73 6529083.983 12730981.37 13758382.34 13253626.89 9499094.917 17162207.93 13874412.11 11994332.74 5285099.071 13512305.04 6157025.97 6184240.026 15838778.49 30876584.89 5767778.089 18142038.81 15550713.43 9539605.852 12560559.22 13168742.54 15489953.23 10189305.99 18211214.66 13998850.82 11700527.6 9346135.77 11090371.49 9368678.345 9969069.922 13534926.74 12439078.34 15811876.82 14338176.03 9523112.67 14944084.73 10833674.15 25034236.59 9323406.415 11389590.16 8926521.708 8953500.122 11542879.19 4684095.432 11814657.72 6806300.257 10829173.96 10420070.01 6436858.607 8210134.32 9419620.049 7874280.596 8606698.228 12281054.73 11363738.03 8179994.849 12285116.96 16032792.45 10582433.97 9873545.605 11569131.88 10905448.47 0 0 0 0 0 0 8392091.783 8762161.888 8485636.811 11760942.81 11176825.71 12393032.2 12422878.52 5658729.742 6050338.218 9494416.942 10136383.05 8660066.162 23597464.09 13135673.06 15348317.67 32602688.61 6091745.073 12577354.77 15412289.38 14662212.26 13653531.27 14839944.76 12212908.74 11366000.06 16180574.68 9368482.399 24170089.87 14117200.14 11842574.44 12772663.73 20471809.68 8630421.572 19357278.95 9408161.771 14636657.13 7661342.607 13307491.66 17735522.45 11961453.42 26210687.86 11514884.14 8564570.873 15191530.02 12645935.99 14902177.36 17789673.66 8764962.6 26210352.75 12824714.18 8985205.206 9411166.966 11697935.98 12351589.39 14235354.49 7050674.357 12270133.02 10017406.78 8842384.315 18145562.62 14069882.92 4060908.074 10621396.52 11385116.35 12043616.07 15937368.68 18156799.86 9045886.708 9978611.356 11166577.5 25792013 9039294.717 12948549.46 13309400.05 8065491.556 11182193.3 13472540.61 15515736.5 6048451.231 7412963.15 9374178.698 21108233.82 11400505.38 14436532.7 0 0 0 0 0 0 9972070.438 9763219.924 9841633.214 14752095.86 13758710.2 15136101.63 14338070.48 7815985.425 8098636.34 14449586.65 32102106.27 15217189.94 11689850.39 11732403.33 12733780.11 6696885.658 18429203.61 14201948.74 9164270.872 8497280.575 12853329.87 8752656.197 10529274.79 8461194.229 5491684.034 17049877.38 7927925.953 9684471.952 12266059.14 13369795.86 10125862.44 8920059.687 19107884.58 6943516.242 11716834.42 9005163.654 16268273.03 8911945.964 30465141.97 14045058.44 12803660.87 12656082.93 13480854.49 8696273.779 10127197.5 7929598.776 10885600.66 11524390.43 0 0 0 Guanidinosuccinate_R1 0 0 0 491557.3163 466359.7585 500165.5093 678417.564 676241.3206 433620.0906 430090.2609 451969.5704 383659.353 816344.3162 1209107.669 722003.9382 419722.5587 502119.9615 557225.6673 1414513.269 544960.4265 545925.0149 273791.3107 1609889.688 343913.9067 843458.9957 621438.9461 587842.5653 525591.8859 431100.0998 280414.5161 407240.0917 659381.1196 355963.2807 897416.8104 697375.8522 1330240.445 522306.3031 260325.5948 601969.1546 636465.0536 510972.9206 351208.2814 1764227.866 528482.3939 529191.4138 1104252.716 447280.7917 336588.8732 1033035.464 299328.7425 554196.9716 1032951.888 874137.2159 573070.7311 686720.1403 576064.1261 519250.4401 795502.6361 759528.7248 729692.7469 1282964.097 260276.3339 527621.9465 407847.4648 794988.6789 542727.6661 510895.5565 456248.6271 697647.705 827274.5072 1092482.434 367504.4018 378380.3842 585555.137 484377.5647 794754.4795 1145028.337 631313.864 505687.3456 962487.1752 315377.942 880129.1423 584433.6833 380569.4508 570504.5642 492462.1644 0 0 0 0 0 0 473569.1181 510514.1709 496182.7214 612303.9082 579763.1357 618891.4777 607481.6314 660704.9109 827183.5866 1303142.829 1126622.035 249844.5003 556538.0198 905580.3415 760512.587 471961.8532 868570.5279 641444.9935 296252.9949 1020070.675 646761.8115 1166657.322 566451.0481 367142.3115 1488814.654 977437.9197 725710.4478 623349.0609 601679.1678 664854.824 387990.8407 318974.3103 554887.1393 472102.8073 406996.4725 1130086.408 369631.8943 579569.6833 738406.095 415545.6366 389172.0607 1403308.709 2184114.975 493902.8113 575754.2739 532695.2795 847957.9961 809170.884 1117894.619 909582.8482 878473.095 568391.0348 647956.597 629778.9942 1376202.974 659977.5439 378068.6956 660433.4666 564322.6848 1692203.931 1461913.688 882444.511 391330.743 547065.2997 615208.9397 566466.1732 451702.0151 839573.7766 791579.3186 700246.3255 377478.1878 570407.2535 518984.0592 591696.5329 526925.7933 754609.8508 1173499.432 758421.692 347263.2267 1300133.744 386781.61 527438.4844 801209.2489 0 0 0 0 0 0 492528.0407 489486.0896 500008.9367 701974.3797 660445.0271 625642.8529 580600.7931 563982.4039 273249.6197 577637.211 719970.2779 705909.1658 907434.2463 786665.7866 1500847.063 623049.9543 525081.4587 695422.0639 932619.6771 276891.8824 685361.2996 787565.8493 817484.1334 421533.4005 900394.5929 505530.3599 731598.4355 321123.6111 654098.4911 669924.2525 540279.2297 594672.2344 572512.3167 474718.5686 771772.9464 591891.7528 523195.6264 783291.4934 509693.9503 400138.0596 677587.2563 1282654.663 614552.809 650182.134 938986.5762 1784595.678 615570.2831 640539.4311 0 0 0 Guanine_R1 0 0 0 232748.9773 223890.0485 239748.692 51272.33523 58397.20545 292361.0543 298476.2763 427503.5152 539319.3473 220102.8123 334457.5166 193733.4418 409309.4468 86020.09852 41182.38876 81844.70197 463429.9012 276191.6384 172116.9249 413764.2059 349087.6128 407887.7322 532948.3729 84609.65804 217259.992 193781.8888 163208.7559 503068.8442 57647.29886 272695.6051 187674.3889 582346.9529 303132.7324 276567.1378 213415.8349 102798.1514 22363.0969 447488.8899 451068.4481 105552.3497 258677.0428 725575.2993 276306.1731 245949.9537 162755.9689 178518.3977 250583.3977 92718.76316 681094.8586 463576.6631 391063.8401 60158.28248 259107.4055 108108.66 64735.81014 164310.1097 153067.9419 120165.4296 521729.4915 386742.7546 152011.3676 107732.804 87159.81827 212299.8445 252765.0357 165532.6751 193390.0796 64807.40845 110138.5241 396419.5055 340365.9033 332494.7396 315002.1692 159938.1416 41987.82006 211350.1853 211180.9859 192567.0447 193032.8674 116874.8917 291290.4837 37289.02475 213438.1753 0 0 0 0 0 0 178478.6328 188501.4347 187711.3251 33206.19911 37085.77568 242027.5281 240862.2238 334491.1635 151560.0766 262043.9463 154955.0649 415759.9544 416144.1038 247774.5149 29816.39168 100913.0581 129403.0728 207956.3598 378826.7776 553581.6429 188783.3233 107078.1021 472045.3091 133939.1764 148062.3189 176121.7514 128806.4353 379096.7429 48565.64992 210825.9305 152673.754 217041.1199 136493.8227 248893.6717 47737.27498 123166.4045 545341.3994 302555.8779 186614.2774 264714.0655 223310.4071 362940.7319 71961.85332 296829.0484 84309.16832 57618.05581 66872.06656 286474.9757 88368.48927 81279.29333 80089.44328 44103.21094 220085.9648 155164.6434 260676.8181 305630.0547 146836.8475 88334.90825 362451.6431 77022.06861 145000.723 70369.83179 133127.5349 211239.7385 299592.6884 141819.6027 113831.8714 222652.2887 213334.1568 229485.9203 99003.56148 151556.6673 277569.4193 281213.471 42115.57442 214286.8147 186341.4343 83524.86339 231050.5131 329240.3403 247182.7181 44021.89213 211798.7262 0 0 0 0 0 0 167629.8031 176278.0969 174914.5842 41215.70952 37585.9352 221806.1375 215846.0423 216350.4931 348558.0866 316900.4444 354060.3546 62109.38332 542063.6308 88676.86961 164631.0009 219473.6493 170212.4252 195359.5754 9756.011666 349114.9908 404870.5322 536067.2925 169231.1252 214329.3921 267129.9574 192137.7111 200699.8027 202579.3149 37687.4971 197677.2671 358750.0593 174923.7528 114770.8073 84499.22708 225589.6579 173628.3475 77075.84881 125229.6216 302771.9255 54288.0799 171937.3771 31246.61078 202693.9365 135865.9112 108067.2834 50255.81764 37024.57491 165540.8654 0 0 0 Guanosine_R1 0 0 0 38490.66671 40722.54394 38226.52523 25078.18288 26935.97206 35975.6505 34308.84568 24030.58632 257674.4548 20442.78253 25670.81571 57262.11181 31594.71347 16197.06721 18763.46845 25365.80099 16421.38505 37334.65888 25514.59598 63666.41805 50465.37886 11733.29 28638.91224 28026.76477 27617.01242 21283.155 23171.1225 31785.77503 28291.3801 38772.57532 23041.95394 49262.57365 26332.41389 12733.76002 16383.7114 36005.23075 24881.7051 66178.2138 32155.85243 24553.37247 37062.35769 43006.68617 34857.13134 37338.53793 16961.7833 53765.40189 53020.36065 27134.44996 27652.09287 15674.22351 30213.73849 26489.46151 36264.12554 14938.3365 37203.11025 17151.03294 7476.351859 10497.30151 71649.62512 20618.83361 31239.19742 31105.18688 22284.02344 32051.36105 10985.16852 64345.41517 21533.11113 22311.74479 5941.697023 18543.18403 56893.04906 14334.43626 30733.83869 16060.64921 20766.13561 30934.26369 11230.1732 9580.966297 16641.28639 18842.80242 46045.78988 20425.14189 30028.01741 0 0 0 0 0 0 33610.88457 38392.52361 33773.4945 21331.65689 23584.75064 35001.38224 31833.66524 23654.82816 36102.70419 15508.08095 30914.49888 46764.53904 10620.69581 24646.56563 41071.23125 61094.40763 33069.92058 31929.58061 35493.11543 37455.0703 30117.13271 34062.87829 41448.8765 58420.90932 64799.92189 32799.32654 26991.0891 14590.58922 22639.09448 31136.4946 7962.05067 5713.165767 13356.59737 40628.02138 19310.17828 48735.5162 38661.6086 7453.81603 33398.83437 80910.57554 32104.54284 36207.74807 63353.26529 14192.45912 23750.71011 13182.64381 45743.65517 24391.65235 31366.46305 30923.82094 31895.77717 20515.76297 30579.14827 32381.71072 7714.300279 9716.294256 24497.49442 29803.63936 39068.66689 62314.07765 19389.94851 31793.82468 9892.159187 29883.05909 48372.57504 21771.40958 18311.55367 24685.96928 14149.2903 12910.61811 5984.625766 28631.9076 21311.23457 11919.00646 21016.80566 30036.1735 49817.69202 32090.65071 14123.67564 37482.33311 25941.41262 22955.57956 31536.02941 0 0 0 0 0 0 30164.31327 29443.31974 32378.14959 20603.14306 21758.34774 28409.60916 29526.45718 27745.96677 19495.48866 42128.33608 29298.7195 30526.64435 17633.84658 17148.66323 65043.94599 18611.11831 44735.28811 30142.54822 15511.72449 22021.06958 38118.82978 61374.84857 18521.5457 26812.70244 33007.82794 49869.51032 22819.96775 21449.90014 23898.67465 29933.16462 21958.75404 36528.14077 46978.24884 30092.49326 11549.18416 36397.80118 32127.5357 16134.33439 57001.52707 36520.81789 27019.47522 13313.03188 25025.26735 26249.27096 15362.89858 59774.88937 19504.70431 29832.84163 0 0 0 Hippurate_R1 0 0 0 6515761.524 6387028.97 6420891.479 5707789.199 5807860.331 4534994.84 4450564.162 3029621.429 522619.3517 3798068.922 1778737.453 7031550.026 1733674.47 2796877.123 626924.8483 3758727.987 3891585.639 4877677.081 7878044.501 2964205.236 3827425.007 2494332.249 4249055.883 1356997.258 2356717.307 4570517.707 7811928.235 1975082.979 5981520.624 4644153.246 3622692.942 6003435.191 1742887.756 15620035.98 3996944.48 1702821.6 1538633.127 8461201.189 1831488.824 6017200.731 4881700.038 7057705.068 3826335.009 3649462.352 5914330.883 9240144.639 3329324.021 3903520.099 2204771.397 4416619.171 4027871.959 5929687.867 4693173.283 11188241.91 7894546.116 6769091.451 9991050.124 2252636.782 1226329.598 5586385.077 1608901.869 1704819.228 3467029.556 4297397.735 12398852.73 2187140.432 1156177.374 3906165.628 669233.5454 1257432.172 4965822.131 5326620.834 2421585.236 2368674.274 5228177.457 4348385.342 3467603.646 3143857.504 6697636.374 6894381.248 1631709.431 5255934.759 4223770.562 0 0 0 0 0 0 5923311.161 6084367.448 5727419.801 5338676.749 5397941.318 4611020.302 4658085.658 3087321.16 3108830.692 3865337.059 3476551.918 1475215.425 6582058.892 4155666.48 4699245.938 4762888.187 3034903.738 4543960.924 1909425.434 1490253.315 4893589.432 1909354.623 2574168.951 5617723.732 1285183.336 3558022.089 6359695.346 1854246.12 4946393.455 4297244.555 1943860.213 5340045.704 6531455.972 1258377.635 4614637.769 2443192.547 8019565.292 7086434.18 6753103.945 7952817.744 3829316.349 3706882.505 4200321.021 1578897.094 4686809.445 3254044.343 2195578.885 3768369.397 4291131.454 2180562.185 2307572.69 4782879.405 4056572.316 1907905.408 1023784.029 6125629.254 2608358.641 1001166.172 2710953.78 3965266.777 4884105.325 4127645.831 3917141.207 3857135.694 4949685.942 2181107.07 4664619.872 3403639.953 3482401.359 2558130.096 1231553.474 9879609.753 3919517.922 4097271.978 4573972.663 4096912.572 2634563.201 1900311.672 1577995.762 3623717.086 8056062.378 4922153.981 4293715.153 0 0 0 0 0 0 6190039.841 6098916.372 6269276.294 5804284.974 5612333.821 4885746.745 4663674.556 4592958.989 2016846.571 3366655.967 13332768.16 5910473.41 6407381.815 1058868.102 8827749.684 3366596.305 3523048.135 4942281.352 1804282.147 2135680.511 1716792.355 6303415.811 7806629.816 3248315.856 6532558.509 3364243.265 1493740.977 3906973.104 5382775.027 4585277.853 2751054.095 2930567.941 2606674.465 2265048.031 4521117.434 2838744.159 2547881.054 4973262.738 2534839.56 7304591.301 4747292.512 1700943.744 2115940.785 3973777.513 5026364.648 4264951.106 5139954.612 4673054.635 0 0 0 Histamine_R1 0 0 0 4953.959954 5007.823563 4250.544078 5212.416119 8196.727527 0 4359.811818 4140.292644 8138.203865 0 3463.085563 5877.088744 5774.966585 8530.256669 0 0 0 3820.794434 0 4734.577521 4930.44638 4272.249299 5043.484471 0 6285.322833 3599.201335 0 8191.079632 7751.688801 3832.205095 4576.185866 6883.192012 5237.246205 0 9163.022534 0 0 7979.838941 6590.385077 0 4691.293961 0 0 5121.647458 6726.771031 0 0 10795.67698 6110.803395 6612.222699 4079.417579 9395.601078 0 0 0 11653.87514 0 0 7756.327202 6389.178418 2875.986404 0 3973.825696 0 0 5295.549158 0 0 0 0 0 7558.789483 0 0 6965.980294 4316.287014 0 0 0 6431.772621 3287.548843 7323.918587 0 0 0 0 0 0 0 4408.993737 4887.28413 3494.546718 4426.579595 6878.666564 0 4393.124582 0 0 0 3600.158078 0 4997.863735 7718.668272 0 5744.357579 0 0 0 0 4813.774227 0 12059.65136 0 4222.85096 0 0 6049.706842 5707.822038 5597.930853 5352.514843 0 4187.868579 0 0 6777.3657 4932.130664 6016.92415 4311.472303 0 0 0 0 4055.980805 0 0 0 0 0 0 0 7332.979239 0 0 4144.159241 0 6439.336359 0 0 0 0 0 0 0 0 7726.650994 0 0 0 0 0 8022.556097 0 0 4479.07543 0 3065.128105 0 7835.105786 0 0 5162.472882 0 0 0 0 0 0 0 5237.425593 3703.333989 5475.028268 6544.985986 8488.79473 5639.06893 5985.159772 0 0 3153.342595 0 0 0 0 0 0 4178.225911 6160.441142 0 5260.561269 5967.047528 6446.858197 7122.042189 0 6498.520545 0 2679.342959 0 8651.687034 6100.607033 8827.031278 0 0 0 4010.755693 3905.920925 5978.082967 5677.733291 0 0 5985.176008 0 4057.924567 5276.018089 4597.295922 4834.762008 5669.690955 0 0 0 0 Hydroxykynurenine_R1 0 0 0 50535.52082 48247.32294 50725.71153 30282.82725 27109.98246 57192.81234 50896.55384 33796.41578 58439.98238 64335.15373 23237.58417 30366.5106 56783.56319 83323.18501 63864.03972 57474.68067 54276.63073 55551.2323 59650.53605 28045.46376 88567.98961 41312.04877 42370.23048 100769.8855 46739.16966 58628.51128 51677.36765 25374.71501 27075.09828 42728.5648 43308.81788 87409.22387 23165.71377 33993.90863 26358.82112 29860.84186 45969.91212 55985.22332 23272.29422 43751.54363 49995.18736 29651.9918 16876.20896 22225.15368 24292.11281 49099.36852 54186.92909 91221.19101 27648.11423 26764.56223 24923.02536 29297.52553 42341.24095 24266.54649 40600.21668 31883.63964 23784.62098 63686.05295 34556.90431 25300.2942 44185.71452 49756.80467 70776.8176 37654.33127 48214.39435 31976.72415 39960.32947 19781.22279 34574.71074 50376.6829 24839.5277 21729.36696 56297.06777 11793.31464 19143.17749 33272.2511 10487.00961 28593.67205 17663.21387 39714.376 36263.76562 16487.4279 33857.90644 0 0 0 0 0 0 34996.02912 36320.8377 38194.67594 18469.3442 22855.1717 44104.84285 45668.74166 49930.55143 95016.54132 15033.17806 38163.79959 49676.59014 19981.43243 75829.2438 14824.34112 53382.8483 92360.77137 43069.61254 52268.25685 78929.66998 73854.63609 50959.93232 26628.58544 26079.42577 43179.51248 46696.56348 25133.82977 79376.75453 20507.26558 40852.34851 53746.63576 36025.79273 108533.446 29171.8498 43343.17035 39491.78146 75037.29662 32130.28779 15065.22352 66537.24048 41771.29877 23729.56441 56379.26086 46417.78864 59826.66494 43055.47688 22710.67707 34526.23379 50738.72766 42068.98709 46561.27348 22987.07955 42632.57875 75569.96017 41130.74967 34425.72343 49631.42528 20539.7522 48098.47773 57802.62082 29764.96123 43230.2157 32492.70797 40615.72283 38412.07472 29277.99642 50057.95392 31104.88976 19214.87807 28739.24681 19675.80137 63270.86368 26476.99397 40529.12857 20468.84644 39877.73935 10581.67333 25885.93105 43128.42673 14590.33428 29353.99702 20649.80252 46494.87104 0 0 0 0 0 0 42468.28544 38522.5705 39822.17414 23367.75258 27003.00741 46869.03823 46061.04066 28429.43341 38289.7319 51989.605 20703.79409 51768.1649 71737.90627 49386.67626 129890.3027 110902.6395 49962.34044 50774.67479 38134.06108 31291.03219 23531.11836 37801.20904 28892.62478 57310.1341 37943.41002 45257.17469 61673.96144 89858.96001 25670.81479 50100.51004 55859.00485 37166.45684 18340.92637 88344.99538 21086.97247 36697.25046 23101.02172 44961.98089 30506.97239 50820.7596 45353.33096 29355.42406 50554.60319 17352.10415 38433.56865 113375.2559 24275.26722 44538.37675 0 0 0 Hypoxanthine/2-Deoxyinosine_R1 0 0 0 4399878.449 4021268.027 4201129.032 4263817.947 4210925.006 7515424.585 7279867.089 7382324.613 15074890.58 2582809.207 5640941.903 8972311.465 7991004.019 7565665.614 2337226.986 12069524.3 8165244.832 7150592.452 3521733.728 5211591.681 6665578.593 7879558.134 16473317.85 5890810.217 2416097.464 2021572.501 3343315.718 10034408.15 4404944.195 6909157.724 2944046.81 7620609.124 4956776.503 4018220.357 2958524.267 14309470.04 1635151.069 11074583.09 9466401.318 6349939.231 7528740.82 14637378.74 8000897.406 4572510.276 6501612.723 2573032.996 5610745.251 4585209.105 15184492.11 6866066.408 6507668.51 4439301.641 7335293.27 5383899.128 10120401.22 4719632.567 4199707.399 8604948.31 10849521.08 8242081.894 2134680.647 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14299.75037 20221.42262 23681.93546 6245.918 54723.68862 20200.39456 15143.26583 17583.68568 26373.2736 14646.55914 26240.50113 41955.00281 31337.72099 20771.5002 23228.6022 43260.83985 13939.7188 15705.9081 32682.47604 18568.9789 55967.05108 51189.73271 23501.27621 52724.62917 20779.13267 19331.55034 13554.08146 30242.4591 2097.568852 10272.75943 2313.364711 25440.60917 8642.632788 17390.65661 20409.27082 29862.04631 20557.39763 23256.50401 25922.03732 28037.73925 37995.74126 6614.282497 20432.03983 11018.00052 3698.855125 8364.75323 14967.12303 20638.14612 21639.01294 19045.26805 24151.07378 16907.08408 22539.01409 42710.19568 52872.6513 65497.30329 20920.3114 30394.74407 23160.33309 20293.69412 5401.127344 10588.52331 36844.1778 20726.62837 8796.999183 29089.07328 20017.60726 0 0 0 0 0 0 24172.07357 23354.51295 19145.20541 26166.35334 29880.42279 22075.10032 19894.25619 16641.2177 40567.85971 13848.46365 22523.51139 10138.39562 22579.95858 2349.658091 15069.62251 36338.12548 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262253.5492 70089.48783 258601.2615 86365.1559 95768.55955 361332.0441 199337.4078 218784.0218 152060.2872 135792.1629 116074.1725 123746.5045 81638.80335 197715.7876 89070.40246 115800.7747 47366.88185 141194.4404 46489.00625 84757.287 126796.8859 95765.13907 55371.82095 148485.5551 96598.45728 88746.63836 198774.9579 140444.0604 93300.21155 0 0 0 0 0 0 131313.856 128860.3095 137159.7565 132590.9229 134105.9195 97119.76489 90025.78064 45062.25212 65722.13751 67360.14856 63132.72611 168017.847 135206.8614 208548.6513 325703.5295 184036.6853 199418.7937 91070.30115 72935.07524 68323.00391 36133.12075 38773.19701 85633.95288 85867.52147 80162.60084 299274.8421 159184.686 72531.40227 141862.8895 105817.6127 115107.6326 73452.2739 53976.05053 236036.798 29186.94624 76122.87093 114542.3773 81735.11567 53768.36805 123206.6676 84436.85386 142796.7469 187491.3028 103924.6721 92709.73453 531472.5357 135473.8451 91625.59022 0 0 0 L-Arginine_R1 0 0 0 61161.50879 54447.64521 62631.72737 21128.79599 20884.70428 43973.89742 45190.21308 52849.13097 66794.1621 30436.18695 73498.95498 59131.66391 34802.1129 49975.98491 52843.66415 50661.51108 92970.39695 55573.41466 80747.92663 34601.96469 64381.56713 60339.43241 56378.17352 73623.20179 36874.39331 41508.65998 73192.83729 175806.601 24565.17099 38004.38706 93090.63359 44190.78683 63071.39782 63185.33083 55578.28947 46906.01582 30212.73451 48256.05489 171352.5388 32999.99462 51999.61305 124775.0612 50913.08735 55819.51366 77016.50527 48777.27572 101568.083 53387.81327 70128.20232 63430.39408 53014.252 19873.45059 51352.66394 30149.45457 26695.14543 64731.6252 56870.96452 70673.69933 104882.6001 66011.52169 65732.46531 29990.81792 41716.83669 51547.22412 65010.0843 43803.18238 44985.24238 34501.16862 50151.2069 58410.09862 32563.19657 63094.55693 49223.84104 33601.49911 17976.86609 47365.27624 64704.68698 34728.08888 36955.31258 24816.03325 53818.43327 15970.13698 42992.23048 0 0 0 0 0 0 42682.91501 48593.30444 45213.42279 16807.1634 14233.2736 52270.42004 55909.918 47277.90737 25039.49654 80387.50126 276035.8664 71815.43949 134165.2115 37211.79148 50676.86133 62167.59142 26054.3555 49080.83961 58111.89496 96528.79678 184972.6873 134870.7914 67437.01582 51992.87816 33441.5984 236083.1579 79046.34183 116340.5779 18070.15329 59592.6748 33813.03142 88439.85658 51454.92252 68679.42221 305499.687 44500.86877 52051.88254 149238.1851 34981.3661 19309.19591 32932.79608 34126.08038 59952.65173 99740.40339 32186.53131 28967.02567 42119.05494 35478.02301 35163.32307 36934.70285 41582.10184 17430.09394 53213.05743 40522.17753 32422.08602 274732.5544 78606.5365 48564.4066 70481.27773 39031.05322 32524.4046 28859.78908 28951.35746 45360.18013 61160.61425 54215.01057 54252.67788 48321.66189 28605.10579 50248.1414 143488.1151 97609.83072 67277.14588 73832.48356 15865.43584 62323.83049 115504.7084 19587.84773 83414.64417 35389.93875 56633.99225 13742.55329 62249.74891 0 0 0 0 0 0 49874.92302 50247.60868 47905.33311 14617.88121 14466.77009 46718.22917 44605.33416 43410.74659 51070.23121 79362.9913 24545.25046 41619.73032 56705.28572 73532.18475 46520.72051 73504.31186 68866.56716 53818.18094 57175.13961 54873.76284 55910.52764 83216.70952 52758.58373 65822.86023 85127.08367 56923.6191 40356.2713 64422.27503 14043.51429 48189.4536 79426.00343 36142.37974 33794.4296 27100.10648 72606.53877 39917.33265 122589.8533 84967.16524 62864.46259 53132.169 42010.24734 26391.14421 48347.76027 27565.55151 83790.2372 20748.07909 13430.10282 49857.70186 0 0 0 L-Cysteine_R1 0 0 0 13361.84845 15452.59991 14930.38087 6630.403009 5711.016046 8568.244465 9870.70266 15079.89695 6825.190797 0 0 11416.75051 3755.066105 7885.297004 33823.18936 77522.47925 0 7857.255609 0 12051.94181 16072.53041 0 36897.27676 63601.51949 0 4224.460795 0 0 0 5470.881793 16858.73826 5411.209965 0 0 6590.847687 33732.3441 33618.9959 4705.054171 0 35379.34248 4828.080299 0 12254.50957 7388.745907 0 0 0 42810.33639 0 0 39276.09804 0 6196.839488 18417.05101 45522.55122 15322.47536 26793.10209 39826.86995 0 0 0 0 6031.909135 0 7712.972994 0 0 15595.9183 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12679.1708 12263.37881 11938.84555 5401.490733 10399.32484 8068.362066 7435.392071 7293.829072 45882.49959 0 77892.92061 10446.01111 0 0 35768.09309 0 43391.34533 6559.81019 0 25099.85696 0 33115.73004 0 21292.67093 22170.34058 78683.1628 12318.13332 0 4356.00686 10077.44861 61771.55188 0 26382.97144 0 16308.49767 18634.45903 32915.10713 0 0 0 6361.011481 9553.132181 10692.83747 7961.205898 25394.75863 37625.46559 39841.71921 10194.44085 21001.30462 15344.86872 13982.17755 2062.062856 6570.465629 0 6421.945258 40368.08008 6669.69216 26110.61706 0 0 17869.80222 3468.554791 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9508.487853 0 0 0 0 0 0 0 0 0 0 0 13003.21414 15256.51943 15486.42938 7114.12418 8298.786489 11219.8182 10565.28673 7515.562676 0 32033.73984 0 59829.81556 6506.733541 37439.56257 48101.69324 5878.143588 20518.79516 6932.114617 0 0 0 32374.14518 32489.83044 0 0 17907.31898 47028.19313 0 2271.971527 5730.804271 0 30131.4584 0 30298.96722 2836.140606 26840.3083 0 23208.22034 8399.623137 22214.84657 7745.103148 39262.09534 6491.569492 3842.483328 28413.90333 73574.06796 0 6095.619732 0 0 0 L-Cystine_R1 0 0 0 43904.32359 62459.43567 36483.15016 75788.4329 96773.48548 33880.56749 35846.03416 37141.00065 52925.66884 26659.0997 47194.71069 73417.47487 54856.31226 91603.41886 28490.60829 56984.79589 67837.77451 54039.5356 25157.74133 49265.51447 49368.99316 76534.44704 47933.30385 47078.66908 27936.78794 22600.31063 23110.25886 45313.73944 91892.26879 19650.82971 34237.92474 22402.48719 67367.59286 81211.73296 36228.58972 84274.11115 26997.95612 44746.40883 53773.53543 38513.75828 57228.26399 90129.5403 55510.38195 31343.80644 13642.15385 40178.21158 46153.11902 46746.49348 95454.84415 68177.95083 30273.29116 41294.41607 42434.83323 39333.40518 57038.99541 49099.51822 43538.60128 40700.8602 96183.71635 63223.61398 92266.45203 51934.19456 54363.78417 83636.75994 62438.34179 116514.1097 71902.54549 54701.79736 71754.48553 45657.20155 79193.55395 58123.94664 43975.05354 51255.10325 46614.35839 86153.88839 28648.65439 44139.23087 95876.1344 67243.79402 60251.75824 49547.11937 49994.5045 0 0 0 0 0 0 55337.63405 32752.37475 34599.10443 56587.31438 46529.23935 42739.14735 47159.22136 26003.92528 36235.59968 31676.41274 94738.70266 110502.6271 125416.6245 71339.92196 34287.71067 85759.08578 53491.52143 51935.09149 66114.72746 42246.79387 64547.83377 46449.41592 72628.07709 40887.65968 69846.05769 80808.69719 59508.89498 63651.90407 53925.16806 33965.26158 68220.33032 28643.55352 36071.40237 43444.60321 38556.02138 69670.43585 60205.69662 99895.99445 66257.60401 33221.86591 28150.94999 58181.40701 72267.08107 112435.0082 33131.0328 39515.94329 31797.17471 71565.83246 28979.47604 23381.7137 27863.0314 40867.86678 52554.02126 51204.3252 26224.50843 262184.8368 62276.38804 51596.90805 52969.94754 101186.4237 41811.02651 27460.48769 63584.09873 63780.36357 64148.93122 63891.63941 74101.18064 42102.41998 48011.51045 49028.10895 59808.82346 81735.3093 76137.34996 38707.05264 45071.67248 66955.86802 168462.3219 23728.52877 80179.15809 104395.1587 87508.25584 40533.83868 67410.10793 0 0 0 0 0 0 45121.71378 57757.12304 51157.61016 58437.97894 50407.07772 45637.13337 41041.31507 44704.30307 35214.72663 31220.48791 47410.46466 57828.6992 28800.32211 36272.20481 39717.20956 35116.34809 41158.80945 54098.52112 13147.53025 36508.76861 50150.29987 68260.13739 24917.39889 67794.90986 58333.70305 48701.89444 27305.97581 6993.675676 45665.44353 38719.8407 58706.80916 28501.86348 58091.41719 29760.09382 43914.52763 27182.83862 108166.0615 48001.20137 50338.25192 48699.39827 55262.21566 22386.26817 58902.75505 21232.08069 50280.06335 35588.17382 60031.27492 62603.53955 0 0 0 L-Glutamic Acid / N-Methyl-D-aspartic acid 0 0 0 107814.6028 92537.72569 87352.59455 1438630.848 1406533.945 78603.45771 56382.12617 56467.39383 92052.76184 38570.39839 52972.18689 74898.38364 53865.91315 77156.49296 41471.40634 76134.84416 54613.44934 61872.46154 36540.38219 72594.24055 90551.94404 104464.1337 70768.69968 84291.649 41332.82191 34774.90143 54347.03163 72422.02489 1362044.872 62628.03773 33299.85661 82502.30758 55000.20357 83962.61004 70681.52783 48847.74723 42415.36762 92564.669 68127.89469 46291.97053 59334.76794 87442.0035 84166.26524 91261.78519 24243.17088 82631.88687 59870.82547 56454.18852 75143.95064 132792.9034 46472.18982 1407089.744 82348.86275 56467.03785 67363.73305 70404.08612 39778.84869 47969.17169 98947.56268 56006.99239 59938.41752 50208.71521 39009.07539 51405.88697 84612.33529 104912.0678 61569.10102 41852.62865 34562.87824 46009.48248 42562.43321 50556.26015 94457.58339 61046.71456 1217401.081 81695.08687 51859.65746 39077.66826 104103.1502 46303.69088 57466.01231 1236298.484 78586.39562 0 0 0 0 0 0 84869.24287 86744.01777 78628.55987 1126240.936 1172913.7 73770.00026 65081.30404 47024.60266 130560.1263 48206.02278 137732.6249 61404.9178 168659.4964 153199.596 57851.42465 74155.87275 126933.9048 63836.64637 86254.07785 76848.61543 121258.5315 46729.64638 69154.62739 52059.9774 73130.60564 119368.9987 118702.5982 40450.79097 1056013.616 85492.90514 52109.87115 44112.73472 53467.03075 57786.66279 153255.2778 65028.50591 87235.59856 63533.69554 87543.41705 37007.38188 43741.93462 94664.50322 116429.9411 63003.4097 32541.37489 48892.05741 117440.0456 85439.0167 54966.66114 157904.2138 159847.4089 1004851.839 75270.44175 57317.0053 54725.28769 44052.93737 81817.83776 67238.08476 73949.3775 94321.18222 80705.23911 43919.7609 57943.38356 51456.74431 68136.68912 86737.61562 51506.63728 64519.08264 62771.60904 79113.90048 52430.59597 72008.44771 60752.76575 60601.42692 952244.6516 88117.64912 59993.9859 34015.09978 60268.22788 91747.87906 67276.5244 986148.9656 94811.87486 0 0 0 0 0 0 131369.3236 156114.6722 91788.52242 1584040.021 1623234.226 92258.10627 75171.50808 52556.19731 84784.70788 73682.07817 62714.0746 53728.77452 63245.59688 131356.4351 74890.71729 50046.64434 38847.46718 61490.24621 99394.58932 52882.50656 111217.6399 120827.1494 136253.4868 72084.25043 84388.15125 40405.27159 80524.66359 22041.21492 1353746.073 78097.19034 85482.15845 47760.99424 72496.59276 50138.44324 53861.72869 39742.46788 73783.33442 53534.11802 109795.0375 72499.6133 75576.82643 69270.81113 39054.31823 49270.18411 49653.37906 58459.90839 1292543.886 85414.74381 0 0 0 L-Histidine_R1 0 0 0 7096687.924 6810257.157 7186287.188 7946312.16 7669102.192 13683711.91 13978784.61 15740053.32 19809049.46 21746021.53 6732661.456 8145625.073 25643152.3 15092486.21 3972112.187 6301717.414 15603375.84 14866494.19 16085922.12 17754838.24 14333120.64 20303216.58 16564454.18 8470329.139 25429964.58 15633917.8 14853857.45 26716685.61 8038039.878 11776167.48 7416430.971 18277199.23 6113327.93 12561576.97 18655012.36 2292399.026 4385642.433 32843458.7 22973899.83 4500760.912 14062989.7 17892035.75 10882719.41 13379631.04 18686972.21 15491346.19 25605774.66 8567552.818 20848995.94 26490509.69 2885999.989 6894347.86 13393873.73 3525211.026 3543177.154 6443543.685 4258983.032 3859186.204 18993703.79 10212918.98 16268191.77 6016100.058 7576936.958 11950631.98 7471932.97 7484137.324 3523081.603 1790667.504 5504314.148 12331215.9 4679056.354 9238486.511 14260733.12 4746751.128 6095189.405 12485924.94 10715613.63 5702618.811 5793963.815 25560492.74 11616008.4 6281575.473 12425598.71 0 0 0 0 0 0 6291668.868 6473476.287 6439873.927 6731147.185 6182640.089 14601076.66 14626760.69 7314624.066 3041175.098 13155672.65 16201103.35 20868849.47 14702166.44 28542879.15 6277062.55 20886779.56 3252800.229 15251337.57 16629176.78 10146861.3 21578817.54 5723475.484 14369937.77 6458742.193 11748116.97 15133813.37 16150020.25 14834948.43 6334118.236 14644338.25 7405315.803 7756950.165 13765551.74 11885657.58 3998496.63 18821573.65 24491149.64 19063211.99 17695117.96 6784190.967 10697083.19 4861746.159 10651808.27 18232564.31 6055081.633 6514610.377 5492603.123 11825730.35 4196770.134 14402131.71 16114566.67 5880368.212 13813367.13 19676085.76 7353348.572 17773797.49 19463041.27 7785887.576 12618046.5 8375315.317 4204825.118 3333320.373 11230064.04 12481852.11 19949208.34 21709967.87 6161476.788 8078744.788 16429999.45 13719748.84 16469553.85 22192062.77 10149217.84 23833775.04 5400801.857 14955633.48 4823490.07 4471247.49 28931714.64 3893821.564 7055522.949 5503539.617 15649540.39 0 0 0 0 0 0 7039966.094 7200586.948 7228536.407 8166097.831 7702462.55 16206598.18 15684515.62 11843622 16310585.42 7872379.218 5429744.333 5893957.126 13408007.66 4661327.291 11630859.29 20711119.67 7214611.547 16778967.19 13482545.45 16928285.77 14185836.55 20835330.74 9490792.49 16447899.75 19576369.1 7388657.872 4692278.827 17382853.23 7310366.425 15248306.04 34221351.3 9354242.836 7660294.464 5616755.526 10631006.23 8967156.529 19828310.95 14869205.97 18814118.5 9808435.916 14815727.91 4122193.201 10725525.06 6103352.857 15084521 4567884.193 7285186.593 16291396.56 0 0 0 L-Isoleucine / Norleucine 0 0 0 431127.1385 418503.6205 427282.8566 64249.00921 76408.50923 415370.3847 333109.2837 51347.10182 426590.7918 390211.46 122922.2499 488422.0257 571873.0395 911325.1449 214958.593 749967.5662 46792.42878 379388.3654 57436.0277 350774.2824 495368.3364 395900.1708 342073.7163 531696.6217 338833.1443 436586.2257 50483.32527 191763.1843 59094.6627 279030.5688 47301.48801 440208.7333 153132.3745 203275.397 284281.3839 414695.8898 474829.0981 610910.3563 221898.5888 416794.0323 376166.6282 36916.51252 331043.8755 226805.9407 359850.3892 342700.4954 242824.4546 369644.5323 360223.5074 378114.0414 79718.58547 68264.00464 335654.8387 253396.0537 424473.8878 398015.0708 385175.458 241028.9617 286788.8536 324528.84 275275.679 297104.6363 358300.2502 315114.3433 52782.74771 358413.9876 308975.7541 295609.895 119590.0587 110389.3867 274721.9495 287511.1118 236456.5138 363942.6559 51989.58818 277909.1587 245428.1306 368104.3419 385561.0452 357697.4956 187729.6429 55448.8307 313473.1702 0 0 0 0 0 0 373716.4077 364235.4912 368177.6572 59438.0085 54382.10082 320232.8284 310091.983 240828.4626 394417.0604 216712.0435 131993.8343 236511.0822 61347.5793 484579.4288 207100.7587 377593.3569 381664.0958 274608.3792 242404.9625 244846.1692 373917.0765 82212.48795 252005.2543 335712.1816 216215.0678 141178.3837 329183.4045 53595.19904 61678.9094 276262.5154 470778.4032 173417.8979 393189.8716 126194.5413 329341.5851 332069.1456 579530.2161 283096.1753 169319.794 395272.6708 258995.2126 249988.1798 405331.7809 293955.693 321722.8462 430678.4908 370520.3134 402429.2806 184767.5471 449281.7736 478790.1656 44154.76886 282856.5996 422456.822 266533.9105 103132.5823 283357.2878 252208.4231 207813.2932 273562.8407 191173.5626 203989.981 338038.5859 268961.2142 233709.8303 382715.4165 325513.557 197191.6235 178367.3806 246604.9612 60793.94996 469142.2953 43654.10187 50694.11909 51453.25561 285011.3748 265143.1651 213602.2739 79056.07618 325407.561 412308.5766 49584.01709 276969.7818 0 0 0 0 0 0 382405.8593 391824.4491 373869.1247 58976.49689 62182.80583 325917.3993 331568.8204 90447.69089 54084.10231 120381.0974 328316.3257 349217.0041 244847.2897 407772.7648 428060.8481 59890.7655 339772.5243 320956.1948 695814.4789 46909.88828 371013.6613 241946.7677 209214.5576 52989.65398 319541.9929 307662.5824 289103.1949 299389.6686 51132.26705 322490.8141 58756.17433 89044.68879 256922.335 507106.937 29062.89365 134518.6505 522488.3202 41312.87601 151054.7774 322129.5805 299956.9966 241027.1543 252780.04 216171.5272 54122.57837 367719.5436 50814.80942 297111.4218 0 0 0 L-Leucine 0 0 0 863590.7773 846173.3318 862002.9227 152248.136 171826.2234 459309.0136 419859.9949 109572.8369 350510.1144 944057.4615 70670.68619 875267.4578 1284101.951 2344683.155 151135.833 1987636.696 91430.53849 333263.2948 163164.6389 863929.8221 868528.9915 259194.4337 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1219211.618 734153.4231 664558.6659 545277.0145 566721.8339 404354.9105 870815.3906 641307.8178 270805.4055 473035.8234 607976.9286 833718.1553 127214.4949 400169.2378 503627.2168 569720.1706 668656.439 255633.02 343807.839 518948.2689 350011.4698 539687.0376 341855.7353 714157.4066 373977.8596 751840.443 682685.8379 537073.8535 208458.1394 402457.526 357262.855 1749773.684 613135.9933 286448.2439 287049.838 671060.748 640146.1111 414547.1203 505291.3244 178671.5917 732116.8632 418005.3888 394842.3056 790202.8674 1208854.235 308198.2037 502787.6115 509291.6317 166131.8759 650634.3441 487528.5557 568736.7087 314602.2987 215877.6255 284522.9774 227396.7866 615360.2248 216816.9488 349366.5707 406440.2849 448990.1503 449070.0609 241205.053 286195.5079 192874.374 470240.2536 174462.6531 169307.8899 1156365.695 352085.3184 257794.3306 274815.8606 596831.1362 429689.8521 257929.1995 318912.7892 294874.3665 298286.8274 296833.3902 559061.8452 473190.0603 0 0 0 0 0 0 900499.4117 622126.1218 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682479.2389 560692.6956 526001.685 549244.4392 479339.3005 207412.8628 452087.672 194681.8518 413071.3515 305634.0101 392474.4246 249454.4804 479188.5298 263033.7624 644002.2157 501194.0654 1575969.59 453163.8284 829806.1551 212452.2267 302285.6272 114121.0934 457730.8778 642880.4219 234512.2015 446656.2696 513413.0066 469470.9345 265060.0561 259171.8789 440614.4256 205316.5157 534284.3098 232505.8932 410339.4977 174202.9452 483096.3088 448487.3367 433938.572 185157.4372 171189.69 240181.8869 171597.1443 202247.6756 499316.5437 428949.3787 0 0 0 L-Serine_R1 0 0 0 506368.2207 502575.2276 521850.1695 260628.2655 246795.5025 550149.0453 578768.8557 752064.9036 924073.0443 726284.3237 306362.4755 607552.2691 853336.9998 1336282.88 499515.8943 1090532.596 724751.6515 642865.1355 510397.3491 732035.7801 626252.8168 553415.5897 633059.3224 791764.6883 436108.4223 582426.8992 481260.033 602065.0858 259009.5756 493193.3784 582794.955 679663.2295 285993.2044 417637.669 784584.7915 497361.7321 635214.4904 801432.1629 527409.4212 751731.7719 586446.3518 730889.2015 342843.4269 1007983.293 401909.6544 442444.4614 1126802.236 832552.5054 719905.3186 709599.4674 264705.9458 241790.9135 560159.2631 451584.8222 504480.8741 628008.602 627305.6722 521847.7053 568513.5452 711334.1972 592106.9773 416540.9248 782272.656 542031.4791 577165.4846 668023.5026 447613.7737 354184.1587 456368.1207 529896.1896 314329.2595 732485.4517 649017.3882 387564.8368 217443.8093 568004.9334 391794.6107 409108.3333 759427.8247 927489.7428 728306.9053 234202.1283 561820.8222 0 0 0 0 0 0 480892.3636 461580.2658 457024.3429 203432.5008 197562.0514 566559.8968 586333.99 700902.1298 557700.4025 433726.9024 1299300.95 545643.0677 631684.5495 789410.5883 620909.6683 746926.1179 555862.8654 580392.0619 412839.6713 845947.8268 652419.6101 560217.0053 450055.383 633652.3773 493942.5433 1234241.13 772439.2878 644900.8552 181367.5716 572582.7557 773802.0136 309368.3587 748118.6033 307167.4486 363081.637 1053694.935 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604534.1738 805682.9823 703651.273 777627.181 689381.6127 508623.1297 540899.8486 388722.6597 875073.4761 892621.5965 232370.1974 674902.0698 0 0 0 L-Threonine / Homoserine / Allothreonine_R1 0 0 0 1269393.908 1250676.94 1290695.124 1364743.284 1315524.941 1058693.575 1066508.64 1131370.181 1383456.404 1178030.053 390224.2622 964118.6812 1975315.471 2925142.201 867224.7835 2476767.899 943363.7915 1116372.969 966468.9099 1154638.896 1300912.427 896923.8183 1293105.098 1863704.438 1076138.687 1340530.428 898857.4872 1177868.369 1298988.897 972857.1862 779004.7233 927176.7608 350246.6171 549304.0249 1922402.47 779354.6949 1489040.642 1941673.918 1075294.181 1067529.347 1040348.383 947413.5149 1390304.989 1400726.58 649329.4076 771461.1913 1553192.016 1435174.423 1043043.422 1245539.278 486554.5136 1245106.859 963843.6067 624674.9521 725504.4047 1075075.986 867338.0501 840213.3776 977808.8275 787767.6152 1100311.696 808850.2394 1313545.013 932622.2147 769170.0677 1011881.181 681366.0156 558338.7214 764082.3438 1055666.796 470474.8167 810245.4876 883028.615 669151.2098 1144566.786 953733.3937 600190.1203 780478.0515 1090436.85 2043105.184 976970.3983 1108107.148 942490.9455 0 0 0 0 0 0 1145220.494 1134230.318 1134420.76 1152961.811 1124002.574 1023912.097 1017897.859 1083296.434 584170.137 634545.1582 1967155.284 1642473.461 1152085.132 1394108.926 908987.2224 1115527.007 578660.4525 988918.3764 759077.9824 1269148.256 1133379.453 893311.523 748264.62 966973.8217 1000122.249 1775229.347 1429839.421 889969.2698 1017800.458 975376.4747 1283283.393 529236.0507 1549216.163 498179.4773 619998.6505 1673224.583 2788473.433 964046.1084 485329.8957 824385.698 796525.086 549657.3299 1033693.997 812801.8905 810061.6724 1603648.499 1121684.679 1025651.197 780132.7695 1124034.925 1215657.981 980823.2183 935619.0483 1000966.743 797387.0105 1125357.257 1094190.776 479451.9918 797346.4821 933828.7299 455062.3991 715530.3014 1565028.982 835445.1721 1414539.668 940252.7873 599865.9338 617121.3359 744807.8804 591702.5729 748033.0329 1614055.034 656968.8727 933589.9333 950858.9375 979464.2226 880904.9389 1047209.223 1515569.885 744735.6261 801923.5709 981483.4796 1068642.501 0 0 0 0 0 0 1177450.111 1212136.252 1206919.053 1268174.671 1244572.811 1116633.78 1080214.941 766161.3681 914217.0233 969146.3701 605578.9684 791448.2654 933111.2753 1196659.083 1020071.728 1753804.494 1047611.142 1173290.949 896467.6583 1010214.339 599298.5199 1829420.18 1029406.485 649384.6155 1179085.512 957012.1321 1371952.633 939141.8273 1206182.534 1100971.02 2236954.799 1243985.506 955302.2055 1035412.371 650854.035 1208838.611 1150383.282 1057672.264 816093.8498 1239307.045 1107938.247 679714.1373 722781.2253 486842.9353 1097184.439 1080397.755 1110408.616 1068886.189 0 0 0 L-Tyrosine_R1 0 0 0 1968497.967 1892310.029 1979470.621 1301662.747 1280194.324 2075487.136 2027619.144 1584070.986 2170739.532 2563570.862 596925.6427 1343185.674 2522991.464 5464183.159 1109291.029 2337118.566 1505407.195 2062798.936 1722519.078 1410436.657 2688003.756 2286759.092 1551070.873 4966073.965 2800351.022 2270975.885 1617167.138 2298291.588 1379513.253 2096944.65 1773814.187 2239872.156 553371.4215 952037.2069 1378359.318 2240868.655 2439330.27 2481717.484 2096633.943 1872169.073 2009526.308 1376939.954 1352740.334 1005500.484 1492228.824 1794400.063 2194893.614 2225149.865 1789077.952 1964895.756 826658.5866 1303232.643 2014402.502 1284175.773 2121812.744 1740499.987 1008541.758 1797726.021 2411590.109 985422.6635 2458154.965 2010195.251 2076112.048 1797988.41 1248493.481 1731651.263 1294579.659 1043928.71 1774937.046 1384155.285 1927750.15 931025.0858 1684155.315 1633370.957 1115303.747 1779991.554 1475517.92 1548682.218 1647953.422 2507870.002 1672180.377 1115561.257 1816180.151 0 0 0 0 0 0 1874661.137 1860314.945 1883084.182 1263731.037 1226720.609 2128022.217 2123632.401 1877267.991 1589288.744 1756448.256 2533462.995 5615076.459 1865310.304 2664149.641 1170704.172 2488948.769 1595961.856 1995391.753 2079875.632 2940864.691 3891781.843 1809891.455 1390446.581 1867962.092 1346554.034 2410474.988 1335049.314 1910593.839 1184623.925 1929398.876 2356101.33 1024113.891 2789915.422 1151841.836 1365171.567 2704049.446 2822351.089 1767031.431 1083803.713 2866914.461 1855995.127 910284.054 1874427.709 2760309.085 1472415.33 1850885.166 1384394.728 2299973.815 1553546.759 2607074.703 2796851.321 1143674.685 1848002.476 3041282.768 1399532.663 1528332.293 2060506.124 1202444.826 1192008.021 1859081.558 1183882.662 1361456.866 2399751.159 1843416.224 2384407.565 1777364.511 2125659.427 1247420.985 1618897.898 969056.6587 1639772.504 3815986.901 1228772.075 1765836.938 1054556.794 1891528.643 2495375.982 1179947.703 3896725.749 1302229.526 2107809.178 1097332.589 1892169.312 0 0 0 0 0 0 1823637.988 1878188.079 1856238.684 1294125.423 1235614.914 2169011.08 2024063.12 1534905.285 3239490.573 1769998.187 1250820.993 2731661.093 1969243.729 2044544.409 5062060.066 2698558.622 3310778.021 2038885.441 2336881.137 3543367.955 1534921.411 2075699.938 1036184.156 2057084.199 1362671.745 3070951.489 2111872.195 3760182.833 1220426.628 2047231.162 2745547.635 1555567.252 1885172.393 3438330.885 907096.9702 1566203.871 1832118.596 1288150.645 2225534.705 2073387.205 1938392.58 887094.4249 2520591.977 960751.0447 1253315.624 2887180.425 1172003.86 1977701.68 0 0 0 Lactose 0 0 0 128283.2427 109653.4751 119685.1572 146135.1698 157351.9299 182438.5597 207769.9776 49773.57761 73183.63733 264673.6508 63102.43538 176700.4921 92060.45527 220538.3736 41442.29511 67249.98966 180235.1957 183326.4315 74253.15947 225107.6045 183155.4019 72677.58219 143240.5862 102503.9521 619228.0042 146556.7746 114768.0554 163388.9314 161422.9275 252001.0938 85119.6401 115917.8307 69287.42241 240569.0186 256890.6883 67636.89986 108239.4788 137134.9921 162317.9953 96926.78355 154500.4521 139304.0062 111306.6076 86187.0178 167931.9785 220437.3521 111661.1957 183002.9927 119888.6943 443907.2538 65097.22348 169962.4528 160395.081 227291.0138 120044.2278 105674.1209 102420.1545 61764.70407 321665.6562 106352.1161 148653.4887 139814.6406 156375.2859 163352.8563 98854.78239 58672.46211 62325.04349 77584.51304 64280.4857 86960.56082 144372.9477 89464.06977 72589.20568 49250.09956 127118.2701 119423.738 391547.7393 180636.8353 139419.0879 61919.56107 99709.70445 126269.4624 125478.5191 0 0 0 0 0 0 104294.9841 113291.6245 108080.6759 133454.61 127930.9455 123007.8084 118971.2301 219450.8115 98842.93806 404605.3735 59779.06983 53116.74064 39152.41202 142311.5596 78091.21185 103198.9753 107839.6819 101751.3697 54060.37039 29610.66114 238822.834 15115.93389 96021.35754 83289.71541 118892.2165 46113.4855 107692.4875 130722.2894 96390.09485 106609.9781 73502.37236 218891.0362 43016.37773 63859.16654 64081.20038 146041.9382 466664.8794 143975.9045 87637.63071 68793.02923 142247.6917 105909.7193 149241.2502 75706.66327 62597.17325 144564.9778 123579.0949 128552.9565 182149.9153 274751.2082 230060.0828 107987.7371 114019.6585 208709.1444 35216.37065 59401.87852 193606.6009 19308.66734 110959.1608 156671.7113 24183.46922 190511.2075 148008.9192 107285.1189 125278.2769 20951.93896 90563.34196 138064.6386 79461.24491 137380.6522 83541.50986 68096.25063 29498.84985 48767.36459 109478.1573 104139.81 150362.0716 116284.1024 88211.6693 89883.38396 172578.4159 98650.13767 105622.9101 0 0 0 0 0 0 88103.93705 82705.13947 83680.87643 106761.1665 97859.38307 109175.4892 106141.6679 140776.6281 334540.5389 118147.1243 154043.9812 149461.9852 66743.56043 99010.41777 80516.42585 132657.7869 96197.17826 91662.57322 114488.4763 353333.4204 73549.40114 57818.04156 69210.97895 47090.09118 81489.52524 90978.11662 38626.21479 186254.0326 87694.33636 92791.56629 54469.14239 8140.990013 96379.25257 71596.90628 69387.12047 11219.82784 61457.29833 56326.05736 92650.25247 85562.65727 82787.35332 115760.7661 148849.3052 84504.37684 51522.03255 54611.5962 81820.77449 85879.48226 0 0 0 Lauroylcarnitine 0 0 0 0 0 0 7516.647813 4744.46261 10629.86325 9669.018704 13662.10308 6762.108223 0 4787.598188 7449.84305 10561.62248 23939.07576 0 28584.97151 9540.888345 9435.034686 0 3581.110527 15087.62109 0 4881.719059 45199.0921 0 0 4065.271159 4060.620298 4816.635402 10480.84754 0 7020.998158 5283.732459 7917.288611 25888.97516 23955.08823 6056.548784 18169.3696 0 11334.43843 8828.363313 0 8331.718215 2313.389037 5345.97669 4112.769244 0 9568.842747 15732.35821 5008.231507 0 4549.478277 10772.48489 7638.78653 54197.13069 8032.229851 11664.33459 10628.61783 5206.269863 5441.600176 0 0 7436.140414 6963.149278 0 7268.099278 17885.00732 15447.26526 8447.849707 9312.990795 11840.33951 5487.418418 7703.777195 19983.31801 4163.258913 9140.569815 0 2958.258053 12951.69001 0 4510.273196 3809.630838 8019.546373 0 0 0 0 0 0 0 0 0 0 2723.241164 9907.870589 9386.254067 5257.458242 14650.57944 0 0 5997.806206 9942.420622 25775.56037 10078.52992 8521.990744 12704.80447 8496.623796 8120.354924 11263.29846 9926.819343 6810.350774 3698.214578 0 18516.34486 14343.36925 7827.142399 0 3635.680007 7926.524928 21750.15739 0 10568.28921 0 4970.706345 11447.83098 9675.247466 0 6578.260654 4916.00957 6158.533394 14528.37684 10729.82423 8476.671419 1150.940641 9505.421756 8135.113599 15422.55861 16812.69904 0 0 1999.004191 7943.044396 0 0 0 5401.587773 56109.85772 4595.877932 8144.368891 17774.77282 14823.0215 6256.074606 9201.414435 0 7009.952674 7704.098627 6824.607357 4323.931498 11216.7825 0 0 0 0 0 10890.72076 6146.706186 0 3336.39127 9961.194113 8670.980361 3693.327859 10037.12442 0 0 0 0 0 0 0 0 0 4201.555498 3749.30984 9703.817751 9940.119224 7208.646469 0 6204.843858 5683.020881 9872.781304 12577.62806 9403.110339 13498.82286 0 7332.529106 9522.270679 0 0 9690.073677 8329.335563 0 0 5503.53199 6266.463113 7395.510936 0 4529.602606 7471.22647 4847.33433 16569.33578 7657.123463 33106.12786 6431.096216 17999.03203 0 0 7208.250594 6005.244154 8147.362288 10723.31879 6396.91285 3499.161771 0 11307.81141 4035.638413 7561.920712 0 0 0 Lipoamide 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 735.6944296 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1387.409583 0 0 0 1828.296584 0 1539.964014 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 988.9398254 0 0 0 1636.942921 0 0 1064.094405 0 0 0 0 0 0 0 0 0 0 0 1373.950283 0 0 3769.548042 0 0 0 0 0 0 0 0 0 0 0 0 0 1593.934646 0 0 0 0 0 0 604.5394383 0 0 0 0 0 0 0 3224.942059 0 0 0 0 0 0 1252.925211 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1867.659039 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1460.075525 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1327.654402 0 0 0 0 0 0 Lumichrome_R1 0 0 0 123542.3658 112845.9638 126345.3297 16281.56076 17571.21899 20607.56802 13541.23034 0 3260.620829 17244.10796 14191.3423 15909.72946 14019.14712 66986.23637 1993.824525 8171.146221 21558.96424 17563.64118 22572.63159 8887.858366 22672.23613 42990.45321 0 10746.77124 76594.71369 16714.39487 17714.0204 11636.83972 20754.59771 12338.93742 4681.92313 14770.25662 7726.8698 3897.13952 6388.720251 18529.11095 5361.124574 19651.01855 11319.3079 11123.24227 16276.7839 0 6638.800351 0 30759.14457 33780.77808 11918.04143 13040.60502 11175.14293 31727.39567 7143.19577 24149.04845 11414.76747 0 13550.34174 0 8090.556632 0 77342.03484 27903.09183 42890.0651 56899.3891 59056.80107 75581.46341 32448.64786 98593.10875 82602.24097 51809.84251 42492.68385 29725.53927 77671.87893 29502.13303 91903.63286 55995.39993 24710.84344 78530.41982 168886.9704 29536.68703 164273.7308 37761.35334 18689.40754 26465.52224 73153.69239 0 0 0 0 0 0 109807.078 113405.775 109487.8931 13319.5014 12886.09909 10301.04554 11181.96308 16092.10472 7693.309135 19326.25301 3848.693904 11770.48429 8586.775553 48377.89175 4125.995067 116436.8731 6375.994045 14282.0894 4615.805204 4182.699959 46339.38264 9328.057265 4945.634749 0 3202.699024 0 17785.72218 23033.94641 15451.4679 10590.97546 10008.45223 3809.598008 5699.080205 5710.769583 5336.437406 11670.11376 12871.09091 8606.342782 37945.48734 63137.62469 12964.3712 37203.6123 5092.812607 20914.74456 5470.595425 3661.261483 5188.581941 4071.402898 6163.069087 12062.93552 9657.533658 19414.36538 16081.03614 16193.50881 8996.027242 7080.166224 6284.763713 5512.309858 69828.89278 32480.6382 39072.15511 45836.0272 59919.74956 80909.69625 110524.0382 18422.24955 126351.2499 90047.56462 26604.60253 50069.08491 39720.76827 79809.95249 40706.96704 113975.0861 19032.58506 82496.92863 274968.6363 67572.45138 79398.91525 56537.2934 117982.2795 21626.23625 81403.3773 0 0 0 0 0 0 98043.49225 105792.6595 105908.1251 16371.89167 12263.2616 17782.1519 15100.27927 13446.30528 64842.12974 8684.591924 17691.13921 11958.78903 12844.62057 4388.004227 9451.66977 11266.21695 6644.485817 14937.14568 11314.46022 53639.31246 20900.99763 4488.348986 10193.24482 15793.05086 61872.5794 10515.53766 4597.079062 12732.32821 17292.12365 14461.66145 39183.38503 4624.638759 33350.84332 10638.58032 8388.546138 3591.791655 21885.72579 13135.75013 6876.950846 14819.49021 11216.99394 8587.092695 30099.92635 10666.46877 6244.145643 4223.704552 22040.9967 14419.45625 0 0 0 Malate 0 0 0 9012.717705 8908.231708 7425.844034 13389.79147 10489.05515 0 0 0 20907.8132 15764.50516 0 10218.24431 0 10874.88974 0 2360.886327 0 0 0 10258.59096 13284.30289 0 0 0 3901.443909 0 0 0 11846.2482 651.7451232 0 0 0 0 7175.756396 3003.688053 0 0 0 0 0 0 8063.161951 0 0 0 0 0 0 0 0 12125.29817 0 8028.943694 7393.91344 0 0 0 0 0 0 0 0 0 0 7262.424883 0 3285.541895 0 0 7554.27188 0 0 0 7458.272515 0 1490.986657 0 4406.886866 5449.752604 0 9235.813611 0 0 0 0 0 0 0 7387.711965 6737.907811 6455.329976 10300.32255 5453.753134 0 0 0 5000.604418 0 0 0 0 10054.56991 4973.872432 0 10083.67716 4528.208825 0 0 0 0 0 0 0 0 4154.159796 0 9840.660508 0 0 0 0 0 0 0 0 0 3225.089029 7545.385637 4029.14725 0 7838.926737 0 10457.34121 0 0 4916.093896 0 0 5527.875963 7603.034362 0 0 0 0 0 4030.573712 0 8460.132204 0 0 3591.537803 0 0 4718.437634 0 4196.919876 8887.807122 4390.0957 0 0 0 0 6283.77218 0 0 7181.035508 0 0 4915.188188 9241.637183 2564.544838 0 0 0 0 0 0 7446.264919 6164.512005 6129.951208 9702.461578 10159.42847 6609.490989 0 0 0 0 7940.337936 0 0 3211.269774 0 0 0 0 0 0 0 0 0 0 0 36455.53954 0 0 6849.735448 0 0 0 0 0 0 0 0 0 0 0 0 0 4943.433811 0 0 0 6517.357184 0 0 0 0 Methylpicolinate 0 0 0 12600.15819 11118.97286 9773.224922 9536.360198 13863.95641 11814.81588 10144.96349 5670.388227 6802.498494 11533.2055 5948.516032 8532.108518 5505.005486 8447.748895 4791.851295 7685.104195 8727.545883 13895.5321 6932.874476 5714.610493 7182.150413 10034.27862 9244.721171 14374.32138 8463.71274 12689.33809 8688.11266 6605.238626 10838.82509 10026.93651 6704.775349 7041.294611 5606.936587 9164.371204 6601.356766 6028.172007 4805.77107 10668.72198 4670.730077 5278.138281 10160.43011 6629.762086 6636.638398 2811.426228 8823.965924 17809.72367 6747.666756 7373.098819 6247.781051 12042.34903 6169.356539 11239.3288 13688.76414 168333.1101 12597.50046 5668.553144 6861.813001 2829.335114 5518.234466 6395.295923 10153.15878 22443.919 7251.910397 9578.472868 5841.867894 10604.56938 4888.236217 6301.362655 7583.697662 2168.981996 8760.377791 5562.892642 5177.27 5462.273612 7034.98244 10114.85687 12695.9271 6522.045438 12590.7494 5181.752041 6253.233088 9206.282665 10638.72277 0 0 0 0 0 0 9409.99528 11447.61883 10454.78116 11562.55014 8102.598857 13177.3094 13312.33067 13442.79001 8724.951237 10775.60556 11070.14563 7023.843477 8449.879065 46329.17465 6330.869054 11451.22999 8178.929161 15953.08295 159592.7819 6206.479402 14362.78823 19008.69215 7644.450344 8694.33971 15186.79968 9090.289975 7437.571065 10889.39445 11105.31225 15245.47064 6622.611375 8907.248549 44196.65976 54510.0287 11775.21117 10031.36851 11740.34267 9899.190009 7805.51827 16665.11258 12038.47318 7773.999323 294042.5465 9530.44423 5412.498896 10483.51623 7148.53147 8647.912199 11087.562 8613.95243 8157.08543 8019.060345 13901.13825 6647.348791 7049.321802 3179.805374 12724.39607 5041.418956 13614.8826 280498.3782 6521.966231 10179.02756 7499.367249 12963.87841 74317.97883 12821.36341 5974.949913 9653.18657 4958.951034 12927.26222 15157.31613 10567.58795 10225.18954 8194.107763 8570.346019 15224.0879 65873.42073 5801.173657 11277.18431 8726.351109 7426.366728 6506.817805 16026.6769 0 0 0 0 0 0 7866.206659 7547.586476 8454.877647 11174.59896 9467.959257 12725.50933 11779.17723 5839.592486 11310.17687 7840.429592 12074.00838 3607.484369 6435.620655 4404.92277 5619.232568 7285.58755 5581.182622 15285.23315 15173.63966 12853.16226 4953.59577 5689.112508 5745.89655 6851.942634 13687.40712 5056.762002 6174.740376 10367.49784 9887.994848 13692.13103 4698.546328 5426.348487 10298.37446 4398.01135 5148.904442 5599.328397 8217.484933 13716.3049 3821.490082 3959.89288 9947.69448 3984.387172 10964.47351 4550.817088 12851.01356 3768.711317 9166.167269 11333.14477 0 0 0 Methylthioadenosine_R1 0 0 0 279681.1169 270481.3483 286100.5976 36847.09696 43742.1064 398046.11 403405.4267 220298.6342 409738.0865 391903.265 1137200.135 595609.3685 588624.8855 229493.4239 181811.8329 197015.3016 390015.9267 430823.0407 1046269.288 717965.1622 1395390.52 1033085.902 469090.2859 479908.4752 822938.2935 366997.669 1163809.234 1643083.277 67595.55517 422008.1316 153674.9755 499846.0545 1361074.677 884881.695 203320.5508 321259.6437 15782.23945 592170.0426 1661199.508 373138.2227 479260.035 663736.3852 312207.0014 304610.7847 1260833.531 1223348.665 1544074.329 232898.3718 1720320.266 1511429.112 261726.1834 84373.03943 478520.4108 368774.9971 362559.0281 306994.6018 1054160.547 286094.2041 659100.3903 504157.0258 434015.6301 305818.8061 209385.4043 431300.0874 316128.6282 325796.1587 254047.573 317784.7393 281980.3818 246652.0055 280358.396 433109.5335 386113.6943 315937.4939 84006.13449 394655.8569 1203766.697 225368.1828 338251.5652 366316.5657 398218.2939 88491.60251 361674.9299 0 0 0 0 0 0 166264.699 173298.7409 171966.83 22057.83455 11720.07588 332835.0465 323543.363 253415.7801 853769.4795 848472.4338 440331.8216 227059.6243 1238397.107 529890.4866 136440.4745 270458.6956 836430.1113 327569.9441 730798.4123 143646.1107 1494231.232 18321.83536 284442.5204 337797.5206 268952.8613 424237.1806 353804.3523 1218350.13 28402.47598 328599.84 483225.245 766844.499 206442.8023 1103847.225 203896.9712 193017.6791 395173.9332 1387414.62 635726.5945 317936.7486 325575.5818 226625.8226 396358.3769 312486.8549 336517.8302 9456.008098 227159.3126 410236.457 264468.5392 20568.15098 192709.3959 37739.71021 362598.7494 1103252.092 213836.4815 229108.9278 604133.842 246045.8746 418501.4798 417057.8196 252608.1632 216533.6839 259315.8452 347735.3355 252664.0531 1004946.088 382303.203 338037.9206 923057.2148 888664.2123 831036.2402 1508657.332 245070.0202 860521.6978 61186.37297 384929.6583 277687.8018 146845.3674 1047747.144 571842.4683 211348.0639 56169.02875 408422.4751 0 0 0 0 0 0 136017.7538 138718.7349 128573.4551 11498.04737 10888.51002 280416.458 251738.6732 134568.4181 374036.359 149515.1992 277217.3466 207454.3075 222821.2982 145762.2767 258022.5119 265571.3362 227217.3612 292644.368 468784.6875 386793.751 521068.3515 231380.1466 243735.4572 953822.2856 1000903.493 229565.8911 209846.4715 684545.1181 28636.65766 275424.2525 349128.0156 150745.7394 233340.7071 196343.1491 461741.0201 160861.8621 926415.3145 179931.1824 390916.493 228155.2412 344900.8738 180731.6289 187715.3317 221912.6135 199953.6864 153729.6933 31226.0972 329335.883 0 0 0 Mevalolactone 0 0 0 3798.306431 2422.667219 2100.548351 3363.167052 5129.306436 2295.102136 3471.101186 0 0 0 0 0 0 0 0 0 0 2698.569818 0 0 0 0 0 0 0 0 0 0 5550.105116 8820.776001 0 0 0 0 0 0 0 0 0 0 5468.14669 0 0 0 0 0 0 0 0 0 0 4853.686581 6133.709884 0 0 0 0 0 0 0 0 0 0 7137.622673 0 0 0 0 0 0 0 0 0 0 3677.13858 4439.958532 0 0 0 0 0 4919.500766 4355.109083 0 0 0 0 0 0 26455.46138 27790.17777 25386.77037 13179.73225 9742.16039 2556.087863 3810.710754 0 0 0 0 0 0 0 0 0 0 9631.04045 0 0 0 0 0 0 0 0 0 0 7904.746561 3375.957603 0 0 0 0 0 0 0 0 0 0 6278.329139 0 0 0 0 0 0 0 0 0 0 9479.462359 3692.178801 0 0 0 0 0 0 0 0 0 0 12863.78297 0 0 0 0 0 0 0 0 0 0 8931.976617 14870.66525 0 0 0 0 0 8401.960115 15302.54084 0 0 0 0 0 0 13284.00543 14044.43864 11201.31406 10467.27644 14133.21562 3596.303208 3280.859738 0 0 0 0 0 0 0 0 0 0 10944.86179 0 0 0 0 0 0 0 0 0 0 12856.16952 7291.386938 0 0 0 0 0 0 0 0 0 0 7121.607128 0 0 0 0 0 12985.15893 7046.064776 0 0 0 N-Acetylasparagine_R1 0 0 0 125407.1941 119302.013 124428.4194 152696.5166 157928.855 198887.3419 189877.4069 409018.3501 164801.6894 390254.0233 40671.35432 86058.26205 153792.2342 604852.5299 64902.99878 329373.525 217915.2768 209563.5229 79190.2472 125560.3479 271472.2356 229906.5481 71270.15217 121763.798 131675.695 157047.0845 73505.38688 285083.7717 158339.9391 184233.5085 63763.16557 173113.0012 44543.63115 87490.26423 180740.4008 213872.621 166769.7368 147249.1392 270408.8564 216009.3589 202615.6199 173495.1711 106870.7578 62226.68314 146746.8306 209270.7759 229721.1162 223861.3588 117150.2283 428558.6608 78545.87609 162672.185 198098.6501 354644.8243 166313.61 110278.4837 138347.5415 237167.0078 140693.7597 250205.6044 306845.121 105257.196 203685.5609 188797.2732 163897.8859 55379.26554 200235.33 51224.54416 176513.7367 109614.7252 66516.01662 247950.6835 58828.7098 118683.2149 142542.1995 182055.7761 196381.5719 95491.70417 69642.30143 193922.9701 109950.2305 147283.8042 186221.9285 0 0 0 0 0 0 101251.9177 101906.9263 97176.18949 129787.6724 123328.2763 178891.8273 164079.2593 180179.8986 67984.66024 173897.8359 191617.6186 106175.2098 374015.6693 212416.693 174449.9057 209728.9102 61987.86177 165180.5707 161812.7272 133658.4448 162758.3183 150181.7171 129902.3286 139878.6383 60369.45509 182017.1078 306682.1555 226285.087 115775.7924 158278.055 259094.9198 80299.09062 199230.2586 116929.7023 73841.1087 202524.8979 109474.8861 275862.5074 67181.76524 198442.8524 144460.4541 137748.22 233506.6299 241626.5257 99256.01423 127742.9724 106966.1761 109151.8342 56174.95909 459545.7695 466225.845 122626.3744 161530.2276 153166.5751 72313.04468 172394.7419 122903.8752 81822.62405 184115.909 237689.9729 38648.42474 48007.78677 118392.2012 157574.286 90924.05966 132896.4288 45441.20949 71575.7938 150115.1178 110952.1904 485849.0253 248094.2284 54589.82354 343573.4527 119939.6429 171257.5979 59970.64806 88880.97378 387703.9801 159140.3219 208881.6299 125692.8765 177362.9679 0 0 0 0 0 0 112913.4767 115941.6715 107442.9868 147210.1578 141987.1999 200483.6114 177362.095 233701.8879 246581.6675 280072.9415 169760.2545 98201.73582 294522.4364 333027.3587 259962.1148 253627.3682 158496.821 200315.8645 62100.52199 265659.9526 55972.60128 295149.9669 85745.61969 77276.90381 167817.8897 145195.4607 65515.09862 143308.486 147975.2731 181209.8154 257335.339 330714.4835 238525.9019 221815.727 93357.15236 320118.0227 93015.69906 340469.6506 286719.896 265117.615 184891.5737 78668.02791 77944.32349 77627.22249 375464.8487 139736.5317 143239.9064 203973.3607 0 0 0 N-Acetylaspartate_R1 0 0 0 169845.6936 175134.2436 172291.2259 168164.3141 173009.1581 129827.8024 128605.8815 175315.4515 159666.705 129630.9179 66495.60864 315809.7336 154155.2794 328722.807 164885.3639 376847.3811 134568.68 151343.1817 51508.81191 263468.0017 288074.7644 227829.0379 246648.7293 327433.041 111123.6027 174375.8902 56575.16477 115783.3589 159100.4507 125945.8394 186536.9053 217123.2032 77962.7395 116271.2007 161403.5362 361200.1057 246736.1872 233578.7526 107230.4717 297917.9162 149138.2266 123301.4175 167623.1287 157982.5305 68145.45963 123771.3166 74422.93348 374582.5188 97355.24475 133742.9521 235888.8267 170133.256 135706.5295 373081.8836 477669.6695 163277.8035 236807.684 262088.5915 160712.9353 168932.3242 106339.8861 150103.5173 317906.7468 133418.8621 178715.9649 330890.8433 259802.8159 336364.5592 234643.6896 141281.6328 133439.6995 159342.8097 160206.2841 231404.8022 141729.8676 130466.7159 78623.88056 130054.8645 206528.5573 124278.3592 128784.0024 145672.2544 130438.3493 0 0 0 0 0 0 166704.6464 170579.1692 167596.8592 161012.4112 155872.662 138799.3511 136469.1296 298810.623 328206.4832 91610.41922 313666.7614 142865.1875 113155.2669 201743.0888 250715.8132 215627.0385 323144.2113 152826.6018 127162.2198 267472.1513 103260.9568 204078.4018 130428.1239 198718.2383 335997.2508 294976.1813 303758.9144 78767.30697 142626.6044 145500.8134 146369.5154 77695.8543 256242.0278 121549.3391 166943.6211 195079.0733 226393.81 80820.58531 153241.7137 251202.988 123649.727 341545.5263 263577.8465 144902.0579 330823.8774 219830.8858 337106.5241 202589.9569 246493.8018 193148.5284 196202.8341 135908.5635 155132.1783 88131.93181 164383.9874 168739.4255 144078.564 215451.871 152999.3954 243209.3144 240044.2307 235142.4685 232432.2011 145238.1349 172127.5312 105905.8274 161121.8948 238442.3179 108943.0577 136262.6654 52718.27157 125836.3602 177803.1843 77746.54784 138960.5608 186096.5477 334184.8186 136525.8191 90040.96716 404451.0191 328204.2361 146820.4285 192210.0945 0 0 0 0 0 0 188075.7562 182891.7041 189537.0073 179968.8657 177033.9637 193932.796 199996.2146 231165.4332 118896.459 275226.4156 248516.2056 323817.895 214314.1318 340329.3379 398527.1726 136930.7914 190328.7787 200496.5675 89850.84849 123494.0517 203568.2882 293607.1143 198856.2921 68272.13166 85035.34655 173423.8295 226178.3501 53364.74585 162283.2138 191009.0274 121693.6888 221499.2928 208160.9991 324447.3228 96044.02271 225162.0945 103156.7355 226680.1689 129061.6374 219661.5129 196284.289 329016.1483 178076.8037 190346.7041 239262.9723 370051.5448 158882.129 198382.7845 0 0 0 N-Acetylcysteine 0 0 0 47031.31227 47804.61833 51687.16584 0 18094.29957 15113.28276 11809.64546 0 0 21777.21466 0 11526.29043 81705.60664 0 0 7018.071336 8498.420988 14027.10184 8202.942507 9665.669108 27927.08015 12759.69023 32492.90486 3410.713662 0 0 4929.949489 14457.46625 0 16122.00955 0 0 0 30726.64888 0 0 0 27191.11295 11505.72199 13682.50185 10296.0972 11521.94564 24800.222 10052.812 22686.52537 22268.99777 9047.572527 16399.52345 4688.222133 20028.14536 7509.087537 32633.48536 11929.08502 0 27399.75152 13220.63451 0 0 0 26172.8947 12814.77799 0 13369.20213 0 8125.454993 6950.288386 9807.018234 0 9628.198439 0 27163.85601 23431.17731 0 16503.12402 0 6110.021506 11894.22147 14034.27804 7119.638501 4367.641147 8646.000366 0 0 0 0 0 0 0 0 43197.77785 49236.61829 42457.61632 0 19484.00581 9886.950966 10819.11101 6202.283913 17549.45039 16952.97687 17629.21894 25442.45324 7127.124401 9405.885642 15809.61304 0 15185.34678 10948.10886 12118.55207 12769.2839 0 0 0 10189.06339 41091.56976 9869.038923 0 15880.91412 0 0 21420.21164 38514.31899 0 4363.738955 36439.14136 9025.038072 31747.78951 10174.30322 7412.342409 17540.34423 10236.50571 9494.103095 13163.11378 0 5285.814877 20046.35831 19404.9916 13138.51143 22119.8089 9331.691539 13115.82167 23739.50317 15655.66362 18895.45061 5662.310574 0 12687.61649 0 9642.676114 20301.72641 27825.38414 21143.80254 0 7313.943861 8761.794859 19759.89402 10448.32077 24617.14635 0 10625.42598 16374.28242 0 0 11846.56684 0 0 5749.060853 6979.596569 7415.43 16284.65033 6947.440982 0 17754.08049 0 0 0 0 0 0 45110.19673 46589.43455 47543.6615 23346.15922 15370.88623 11528.09797 0 0 15261.1163 5826.04925 0 0 0 0 14921.69383 5509.763707 7515.055275 0 8548.02983 16298.71001 0 7731.809571 7958.119758 9082.778987 48113.15095 7444.954319 7051.749711 8893.421663 0 9205.991636 22298.0821 7873.489944 12761.99413 11717.97426 7811.963392 10851.00916 20369.42401 11937.10399 14370.02506 0 8840.643667 10784.94398 26933.33609 11200.6341 12176.10396 14182.46931 0 9891.96448 0 0 0 N-Acetylglutamate_R1 0 0 0 190351.5068 188586.3492 188976.5123 165477.9407 166004.226 102205.2173 102678.9788 135728.9127 86360.82214 145285.5643 41709.56211 233591.7842 128966.2888 383342.2459 112094.246 288513.9348 117645.497 123137.9341 44103.10173 174587.8779 209552.9752 164414.3806 183951.8439 310235.0684 125724.878 168044.7163 42934.16296 146243.1663 173600.4095 101321.5542 126508.8901 179868.3654 42878.85077 88800.15596 146510.6323 272786.0976 199199.1617 176458.0603 120546.4324 145680.5041 125773.3214 125623.6132 122322.8965 86726.13244 50388.21939 89419.74298 63016.9256 512254.5687 66602.21685 98152.60948 154865.8094 164410.134 118382.0677 368294.3434 310086.2468 161585.0199 127986.0149 199036.4164 150035.0835 163763.8629 123201.8628 157394.3119 434506.1732 105615.4599 149115.4344 145763.7495 139690.8184 183446.7048 146999.442 100981.5166 97372.64563 157393.4098 93943.20907 155927.3755 153168.4699 108664.7495 42136.65459 102962.6014 133754.1988 126000.8642 103324.8992 153341.5564 109077.34 0 0 0 0 0 0 205149.9642 207230.9587 197698.878 169647.3627 161630.8236 121121.0133 119602.7383 300869.0829 192172.7792 58135.00341 266636.9204 168414.2722 150307.9081 143687.1882 155103.9453 196827.4177 200231.182 130521.2608 109092.3884 129938.6124 97242.2552 203181.6615 152439.536 226423.2119 189368.2476 258736.5334 240414.5959 75929.99462 160605.5696 125847.766 314834.7237 80188.41003 211120.1895 87171.28814 161656.7862 140616.6407 233246.8156 143575.7526 91556.11106 265506.6631 102625.6954 369980.8252 222464.2149 234721.5434 164909.2909 190859.4833 207339.1482 191221.1551 213552.9032 258390.147 254270.2995 163251.8039 135938.4442 92280.47825 121257.1255 125599.5797 118828.2994 221933.0034 127969.2967 206788.7542 178561.5569 177549.4929 141396.0728 124204.0272 109781.6402 90252.24009 162272.9834 136814.8379 68944.76903 129819.4151 95772.09121 220115.4481 130654.6081 71175.15248 152156.7538 156345.1256 185802.0333 91311.42045 109759.7507 243193.3172 225136.9118 159080.4938 151607.1183 0 0 0 0 0 0 201612.2886 208389.0406 203564.4835 183159.0085 189244.4013 152263.9333 156025.9888 133028.15 138304.3055 256876.8171 210159.337 210714.3657 124090.006 310619.4301 337388.3181 118637.8027 441037.4537 170787.4089 57105.94609 146048.3825 160429.7558 204705.402 115835.0027 75748.2522 88085.99215 400976.6048 225077.6273 66054.65359 175979.4802 159545.0292 93779.48311 223152.9264 179158.8127 350350.1761 60491.6011 217736.8069 75596.49845 222604.0153 139217.0006 154766.501 161967.356 228939.2037 149220.7892 125198.2305 223860.038 268289.6099 185805.2927 178108.8071 0 0 0 N-Acetylmethionine_R1 0 0 0 17802.37228 19175.27447 17529.46077 55060.96443 53801.43306 68051.86815 53388.02115 63520.10073 50997.46776 84596.99492 18933.06891 41254.43275 29255.30004 77010.19468 33085.19746 17890.37679 15534.1058 59276.57392 104051.4557 202185.3769 86742.30673 80374.88211 45681.17703 115862.8488 25899.60019 73955.85235 115653.8614 35073.59253 54035.12197 52750.52421 35546.42035 31212.65129 13190.44829 43315.16963 157246.6894 27572.17439 23962.42279 16280.80683 35799.34258 33591.2192 59930.18394 224080.2391 37896.87281 58430.83446 32341.41937 111355.0023 43823.79132 92105.87061 35847.68154 105808.7834 52715.59114 65351.40633 56743.18314 83938.68149 82641.42061 143674.3502 53499.62911 11757.27995 51388.52878 44098.404 29813.78152 50926.42085 83110.07912 48914.19451 25648.18377 10680.33273 81693.64387 82642.5145 116992.8472 47809.37359 32779.25552 40237.48501 35013.38391 72401.11707 52308.13602 68346.75507 66959.12934 38860.19357 87090.90127 45342.29625 14698.80483 43016.76868 44426.8698 0 0 0 0 0 0 12310.65596 16124.84146 12137.30925 48100.78622 50313.82152 64872.28419 62551.54787 133173.5895 55011.85922 89398.48598 337477.2964 20880.07638 53136.22667 35108.96466 58552.32552 177171.3946 60011.38943 54997.0285 60972.14652 16441.37444 149037.2203 13764.91109 15212.60901 201604.9697 34726.57408 348517.9465 50014.20868 27731.59235 46804.33396 61029.28183 14508.0683 54772.87058 73168.52382 16629.26263 89373.18223 20351.34269 98232.94204 17545.34025 35543.8615 140204.5062 57892.70898 155226.1424 123748.5435 51298.91676 20510.50159 51999.81395 123679.3181 374708.7861 135336.7849 61601.62751 59324.87853 40222.12569 55762.70182 18726.04996 76460.99437 59325.65199 157313.8695 50643.65373 23738.99162 125180.1566 63779.22534 140713.5852 23156.12094 55850.94144 143324.8984 15605.52362 44414.14309 61841.86631 71471.85529 232832.0455 113112.06 25702.20244 42355.44571 28714.32494 46644.26635 53573.34938 77974.94701 16939.47425 45271.20479 80898.85817 49710.87998 44767.45241 56391.56563 0 0 0 0 0 0 13212.37016 14958.40435 17328.93585 57565.81252 47037.01649 61663.48063 49782.70542 174002.3304 139059.4272 70754.4239 46042.27618 28709.73766 33770.23162 10287.7591 45372.48284 49350.34797 35180.92386 59965.81182 40849.27087 161539.3181 44207.53453 22686.4594 30730.32525 44574.54708 152314.316 31662.91946 59736.44585 70601.88203 46289.46343 57011.53104 88351.23461 38605.17491 112061.4643 6025.24366 42081.23272 52160.95285 31459.54962 69542.55937 19210.16688 26123.90493 49603.34936 32729.86253 169191.2435 50816.48842 66893.83342 72719.32013 40433.53075 53085.20701 0 0 0 N-Acetylneuraminate_R1 0 0 0 1752435.397 1764275.829 1799448.39 1444880.964 1469035.472 1456677.377 1423249.541 1255038.772 1672969.007 1372984.87 1598386.205 1944561.238 1334679.822 1760069.594 988498.6708 1694445.063 1295784.358 1632484.507 1173771.561 1693920.047 1753392.613 2443419.051 1784488.394 1703305.957 1051073.632 1106095.643 1147702.262 1697811.98 1489761.942 1306891.719 1057576.38 1802286.179 1754830.023 1233222.895 1208474.267 2238554.945 1084815.158 1511354.745 1782814.175 1523918.161 1761505.677 2153204.917 2191817.861 1383023.86 1029702.805 1844076.51 1443018.242 1528888.318 1684934.643 1607634.624 1344382.276 1567762.613 1626147.684 1959983.399 2496915.147 1591799.86 2129249.89 1755137.203 1988636.194 2176647.805 1348438.729 1357886.312 1424382.587 1520979.184 1768653.766 1964756.155 2497643.128 1674084.247 1553622.601 1501433.471 1434493.283 2056791.812 1497740.451 2025965.149 1330769.047 1460221.991 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1155586.804 523466.5488 682120.7983 695593.4897 825931.2864 726511.3031 880487.9806 460918.694 939565.6341 727399.6963 641861.516 540342.1257 894899.2194 673369.6264 1328928.71 753329.5136 846436.3535 892052.0126 596231.4848 951808.6369 717905.8171 722586.927 625955.1705 768391.055 920189.6678 635966.3586 830993.3422 599165.949 700670.8105 863711.4212 1055560.037 1420544.293 697760.3354 1046329.374 788369.5435 992583.1133 959785.2359 601237.2921 666705.8048 856471.1364 780313.7932 670187.3364 1266043.45 1139087.114 982809.441 568465.8886 533992.6036 590385.6841 959401.805 584749.163 696842.0999 628104.2099 785289.3733 581704.9914 644606.9959 706112.7433 587084.3325 796627.1143 617992.3172 736420.8574 0 0 0 0 0 0 727755.5538 732161.0364 725785.2344 598646.0097 568569.0349 832686.169 822861.4827 582429.6875 924387.1769 594206.6378 1233952.257 554982.3663 1061261.389 1301919.822 1040433.734 1357559.366 932725.3595 785980.7165 766278.885 762426.1123 985850.7111 566034.3363 728930.3764 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733818.9979 568733.5133 772087.1386 1014147.438 986928.665 677446.4753 598467.8339 841319.8026 630205.8852 721746.4577 912139.1036 801401.6444 546340.5817 715540.239 783898.4219 530592.147 1190077.774 738251.4203 819597.4049 730834.143 556297.2446 588851.1159 584169.6648 1209957.97 545468.7375 743755.0561 0 0 0 N-Acetylserine_R1 0 0 0 227325.1776 217772.944 222845.8992 193311.7683 194341.5238 137356.6071 85943.67653 160143.934 85682.16739 128282.8501 54575.59245 245761.9554 137121.1548 104999.3159 104473.1202 284579.4484 148643.252 143442.6288 50281.89318 179925.068 226057.363 180656.6653 204506.2161 280651.4636 142765.2746 177674.9529 63675.55806 132816.758 197861.336 80694.34542 110069.9733 153837.7366 58146.90875 90351.19354 150817.4961 254615.4675 183280.8209 126447.0441 128476.5873 111944.479 147964.6407 143657.7366 109216.4237 107385.8055 44941.77243 76234.44669 95266.2188 398771.9148 57932.38329 85375.46042 146791.0155 183083.585 146016.875 353037.2353 246997.8613 125462.0363 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96956.21588 86912.45163 125882.9469 51318.40276 124300.6981 55971.88081 71817.55897 104118.2582 16211.6252 266203.0906 38884.33767 81637.73975 89194.35251 38001.43994 55806.6735 6836.426381 118415.0642 186328.9062 122071.912 54897.47185 73247.40311 40686.23638 116515.1768 48158.39287 94057.47188 77967.32978 56097.15671 9711.268579 91100.73014 223506.2352 62397.19864 71151.51122 118774.8592 205061.5782 70019.10707 72668.97371 25203.87726 84157.15556 80335.61829 106766.0638 197227.5468 60424.1122 89573.59762 0 0 0 N-Alpha-Acetyllysine_R1 0 0 0 516669.7195 503430.8103 530542.9898 528408.7812 534039.5321 449900.3732 455266.3742 922338.6484 277849.1462 497704.1311 238273.9972 300421.5474 245070.1747 744819.1143 274755.0771 1009772.935 667041.4038 480439.7256 155056.8684 428347.473 556100.6208 750796.9918 520659.7192 271473.1823 356148.6178 289203.1638 155963.6104 904118.7081 544333.3994 451106.8531 157551.0374 610556.6958 238555.7755 302921.794 259583.5175 1103381.396 269225.9114 343505.8488 792668.9192 522543.1831 452211.3345 382798.1554 343170.6734 177800.7988 234592.2603 426046.6398 196943.7882 477577.8168 534424.4471 633979.4178 228649.8982 511560.4915 439580.1936 880375.4697 903719.8026 307882.3626 285672.6329 978347.1037 337271.7556 612638.8143 422775.5363 328253.2864 484662.8731 434499.8114 333854.4367 221123.9701 955303.5095 308499.9881 400149.6554 297605.3287 293896.2233 595441.2915 200013.2242 849394.996 468225.2381 451329.9817 639992.8307 221992.8911 324220.0251 188183.783 232871.139 437155.9394 420349.4499 0 0 0 0 0 0 543426.9612 553364.4166 543753.9564 518569.9511 500008.8316 519032.2831 519134.5549 761325.8812 325429.6294 819045.6674 678858.9242 587329.5545 999541.9263 1113331.599 696166.505 602008.2669 366678.8215 507594.2555 959066.8716 619708.5185 889403.5927 604054.7978 635300.8388 596098.8135 370870.3174 594014.5427 1000749.404 718229.997 484871.8336 484632.8685 895461.1749 416710.3179 665351.1297 386677.383 220269.694 847979.6521 320484.7487 572882.478 172355.4455 363178.5508 431741.2042 1019924.882 793428.6178 1151299.079 318474.4295 301111.8511 321642.5386 454485.7187 217844.462 836563.5102 844341.4295 456298.9113 466573.7506 354111.4368 201337.9618 380202.1913 422733.8899 597470.2699 471962.7885 690183.8196 303674.118 182816.5529 251093.6232 470982.4006 288330.4325 593036.5527 340847.4113 259996.3341 330013.8436 430617.2826 498375.4983 908106.9607 236032.9028 739977.0904 424035.2879 550174.5756 534703.3928 139445.8512 942631.469 605995.5118 694612.1192 418222.5499 564428.273 0 0 0 0 0 0 506913.2413 516281.6933 487640.4105 560642.557 498929.782 598796.6149 568767.3849 664123.4951 559516.4261 778542.8262 807330.8069 369538.9492 756529.8678 730102.5398 976454.3611 716429.6697 443869.8255 563687.4749 178349.545 595607.2651 388354.0748 888438.4021 258530.6304 182732.5742 624892.0372 391466.4582 466135.7916 194162.839 505599.364 538700.6165 711056.877 798236.9204 810267.3335 782173.4485 212033.5513 875772.5695 263323.1873 1003773.439 1007117.729 531888.1719 549718.0177 263741.7632 186694.7187 245714.3479 1114379.602 404413.9148 452666.0694 482323.1451 0 0 0 N-Methylglutamate_R1 0 0 0 51867.3446 46479.60859 82158.03186 130768.8456 121671.7549 108265.6954 111363.3671 211810.9875 19542.64056 127761.3787 0 24461.2956 23950.57835 26907.28968 12966.54954 30403.18374 0 123565.9096 42171.12352 501927.1794 27721.45573 53483.91331 154978.9133 0 0 46199.07802 44288.31237 137896.8343 127171.0127 109738.2749 16104.10173 16971.46621 0 57092.4968 21394.98043 17665.62201 8678.141807 52552.30842 142694.2477 11737.12914 123499.7607 1241068.473 64737.42792 17476.03915 120037.2698 0 26762.03023 37135.15641 651102.5539 228556.4608 56943.66842 125006.4179 103802.7159 694159.9301 470344.8498 35631.70099 34487.85985 13570.99205 799985.6146 43808.95878 37697.98617 14182.06951 0 96254.24435 14415.1892 10741.11321 21653.38134 42301.85348 69565.35638 15348.33632 84418.63514 40299.52177 15242.76574 20517.89844 114165.6669 96315.47061 248263.0424 0 0 0 0 93401.6713 103287.9919 0 0 0 0 0 0 57189.06117 45152.53969 44058.51823 92522.42493 118387.8333 98034.06008 95525.80095 41764.04013 28061.52245 268465.1861 12105.23927 0 32797.7317 0 1339759.471 0 26095.14718 88960.14398 17815.16263 26982.32987 19827.47748 10473.36067 28479.11802 11812.71465 13054.94882 0 287658.0049 15044.88765 78783.08754 88539.60826 29082.33767 15317.04574 0 121201.5984 24654.16841 29437.31244 40713.21231 53909.61634 731535.8021 54699.98 74795.0524 42114.44459 103131.8997 249976.8973 4205.170396 30386.65485 191625.8974 42172.92396 12074.17538 0 0 84446.36075 91755.12925 61341.75335 0 20207.62612 50409.80447 44144.90755 59510.50082 89236.52832 135356.8677 0 386125.3681 85968.42919 77847.1135 29779.39961 0 138469.4453 91354.54924 41170.42422 199221.1296 102124.9563 80439.97761 81152.6354 69703.70857 85689.20815 57390.46488 0 69400.48421 65793.54773 43318.86264 77621.94364 108483.6796 0 0 0 0 0 0 60637.00467 61695.14375 49714.62226 118830.4995 111509.2156 140986.6219 126496.2648 172729.7364 34065.73882 21149.06363 11773.01793 16699.64149 83499.13446 0 1824243.252 30698.89306 6715.650309 116916.6521 173348.816 23721.69376 108331.8373 64936.91411 451059.1896 0 0 0 222976.9443 29109.56311 100880.2564 112526.5181 0 21795.29056 22164.9559 18611.10139 16036.89433 12412.87514 55226.06029 11459.61663 1122278.688 0 95109.45939 7802.574505 29684.41771 154219.9115 9553.671989 131929.5049 81164.42018 99080.83688 0 0 0 N-Methyltryptamine_R1 0 0 0 184946.5728 203659.8792 149726.5224 257185.0099 206850.134 135706.4304 84558.20588 16629.68808 39511.90854 0 90394.44923 0 99763.56287 79698.79979 25692.68442 0 0 95063.05825 615119.4007 0 348315.7135 177278.8815 125171.9276 82970.52323 163241.0635 101228.0609 655432.5011 219583.1175 251825.6536 104906.6886 0 49830.50764 90304.46018 39269.8403 29486.48945 83938.20268 25035.81219 85216.76437 308988.1171 68591.9453 107143.0773 31220.55412 0 0 626069.2271 177516.6921 199859.152 0 66735.84058 119585.3213 18953.85007 250969.3095 88041.12233 105449.0584 56085.67856 31647.41672 137892.8342 0 130307.9434 129514.8435 81043.73857 62284.70195 42048.32849 115079.1161 0 131698.0241 0 0 39088.7848 0 83525.35272 123022.878 16458.90551 65153.36054 233805.8763 114101.7152 99787.22866 0 141894.7501 65386.20491 22041.0959 228748.2326 123543.6689 0 0 0 0 0 0 170803.198 137624.5036 166831.5121 204877.6926 204487.9613 106913.3304 111719.2218 28046.11233 96437.31172 90862.397 166893.7304 93765.17384 200357.3199 363294.774 71388.96468 61279.70996 99570.46435 71312.32521 437056.6521 9176.773087 216962.6656 43714.42008 93689.17088 13208.10166 34725.74901 188932.8641 352691.7542 376850.5162 213653.5635 101910.3604 45667.84278 38546.42698 123792.9531 188624.773 62260.62242 103146.376 84536.26925 65335.36724 383961.5069 0 76339.10531 83425.47202 82463.07608 74785.13962 61440.71544 46802.11865 103388.8885 146966.629 36312.76577 37450.5108 67965.93503 212258.268 111326.3292 232778.6887 5798.102076 14405.25967 183022.3286 72433.22815 166312.9768 0 115216.1292 60137.76182 109638.0149 114380.231 101115.8647 75638.64609 167044.164 117084.5905 99179.45739 124456.6388 196643.9748 398391.157 32400.24557 122171.8292 187299.1096 106859.2583 44887.20293 0 193830.7075 118561.381 64232.91781 187165.0503 103689.7424 0 0 0 0 0 0 165769.1143 166555.5566 147802.6672 218715.9749 226342.1918 108193.9498 83847.69092 68697.92999 117040.6366 36366.84291 110866.1892 86035.64533 156425.3198 30947.28776 46437.20109 18862.19439 0 120561.7892 28145.08044 159852.7103 19803.77993 40555.06343 0 321799.3606 169607.2046 56127.5734 28458.88708 140585.4287 204617.2658 129785.6313 167038.1679 35105.70766 69338.20094 75109.55093 86641.52437 36386.29565 197495.0512 22342.10941 9928.517772 0 132715.5647 40351.50244 88615.61384 0 24493.8864 34845.13853 226336.2144 110693.3872 0 0 0 N,N,N-Trimethyllysine_R1 0 0 0 823013.3466 742043.6053 810520.9873 855831.4329 821543.4452 505084.8307 536740.0779 437081.3618 608647.0397 266147.9281 542012.8867 612237.5579 672952.9967 383357.8154 1074434.982 1090597.743 640222.6564 573544.9025 609060.8768 852879.4605 742937.0776 559070.8823 829916.3721 545566.1755 483635.2238 276416.627 642644.0936 644792.708 915779.6798 477132.7836 632099.4973 640765.9166 570219.0788 574247.6599 349149.2958 398668.5399 196749.4638 598501.9527 597254.0744 279886.1732 526859.8505 832244.8738 824474.8976 549552.495 317894.638 467618.8482 536766.1549 446758.5483 1709836.482 515576.8322 485805.3733 814248.393 543912.2353 286028.9556 371838.5637 573405.2913 604915.5487 567308.1306 731074.5054 587358.8983 366871.8403 223219.6394 406348.2777 466320.4929 816030.8306 413629.5459 377536.4738 310486.0855 395862.9034 561185.2581 334007.915 511761.99 534705.1935 359020.5387 725644.3818 521443.4108 333770.2561 524159.343 388152.9989 473110.878 1098324.89 657103.3958 430570.38 0 0 0 0 0 0 690407.465 716488.7038 711445.3972 676162.8954 606643.7493 475013.4631 475554.014 336708.2027 277653.6435 414281.7477 714434.3996 421526.8631 776314.812 394336.1616 632004.3366 400852.5023 295078.2183 487946.1893 400196.4449 507057.196 630968.1491 352053.1483 394182.77 584186.1464 1411422.225 632431.9383 589346.4916 613227.9854 583451.8698 431043.7783 613993.1874 923475.9129 386608.7072 485663.8371 313146.1524 324015.1113 368533.7388 300850.1705 358816.0095 150627.4896 386075.9731 325800.4882 586342.6861 691692.1218 438307.3095 320349.824 350844.8454 395280.5419 329244.5749 354594.2265 306223.2324 556423.1183 424780.5051 467512.3915 1676496.007 723904.1927 363668.6957 387531.6362 567124.4555 333716.4621 256183.1359 268314.6623 250956.0523 431369.1698 547092.9278 587038.509 411399.2102 554232.0768 224138.8318 380972.3245 318848.0697 398466.0139 487226.7811 375738.0233 580863.2346 648880.7217 509001.8382 59265.26911 494228.1976 427996.4633 351664.8342 529893.2466 646045.8774 0 0 0 0 0 0 793127.3331 784161.7473 773004.1691 818326.6772 812829.7816 590592.5332 578972.0981 491688.1442 363270.8542 627647.203 249887.7849 383204.9769 445404.5555 370402.9498 508379.7909 450200.9368 549219.3636 613933.1356 431781.6046 377726.0548 622278.8986 575548.7548 575778.8709 503989.2572 548861.1752 513601.1293 1238699.783 358285.8872 711242.0327 478779.9566 556271.6461 329980.4317 491814.0115 631131.6011 541576.0155 476172.9565 588573.9945 495522.3864 594613.6674 431019.8944 669418.0853 296651.7273 511234.0912 311611.0209 590295.9399 250396.1015 686556.2466 465666.7498 0 0 0 Nicotinamide 0 0 0 72010.16475 75460.10806 72698.35898 0 0 51925.46243 51431.28993 64149.29747 28758.39041 29781.47364 30271.09439 68935.40353 55965.82737 57047.37123 35491.11926 36664.40747 66077.8093 47538.33175 82939.67024 65681.30709 80645.95882 49841.05931 55551.83282 90793.36237 72874.66902 31429.85045 76799.04272 92110.49719 0 55894.9102 25582.15329 52027.67735 40051.8165 28971.02712 48435.52249 43784.91181 20004.83854 62218.76979 84891.66086 46095.41916 55355.62218 22257.20308 40980.8059 26713.18384 61027.47025 45876.27129 21309.45003 37963.32558 72993.2707 104901.2891 43021.20231 0 47443.38264 51373.54507 43650.10771 31235.56997 53225.55997 44655.28405 63624.39499 20467.2534 17387.46048 19968.88706 40363.31559 47854.74882 26207.9645 62879.81604 46899.63753 41305.58432 53847.99496 54772.00308 25565.65088 18227.86181 53592.30755 40412.60176 0 45714.22483 91031.42593 18529.28122 80801.54174 39081.99904 58173.03794 0 41808.46494 0 0 0 0 0 0 77349.79029 81716.17241 69624.79633 0 0 63228.97892 58975.87365 59955.67923 93976.75872 114689.6829 41292.79391 96800.44354 77875.19771 168687.4788 37034.05435 206792.8487 92499.74213 57725.52124 68965.74556 60913.22583 107152.4475 37312.57401 57219.4551 79113.32383 45093.03394 31299.05784 76908.51579 79876.86815 0 56682.43442 59286.68242 35000.31134 54735.88683 50278.02791 41652.00266 78570.70978 31833.31278 21189.55323 92154.55317 86432.07712 45709.18555 60210.1788 43167.55777 51593.69926 34926.26656 52428.76878 26190.55945 34413.29511 33715.89381 37043.30073 27315.18871 0 50924.74463 33857.0709 41598.20172 26951.5427 28172.51776 37091.01028 28897.54514 51171.54391 40716.22131 26486.38886 55126.16899 54403.24619 60003.4329 59255.93194 33962.09757 30844.23798 32706.76166 38562.1383 34917.98422 49021.2151 44424.8961 86554.79674 0 46952.629 37588.54364 7726.143104 94086.18553 68621.87521 83740.77033 0 54811.46297 0 0 0 0 0 0 63604.64474 58126.47654 65123.57838 0 0 45746.26307 43263.02415 30891.40023 54532.02975 20466.12833 33313.5566 48799.78751 49584.59568 35780.61037 72369.861 44449.15819 69997.51042 55817.59759 33349.51824 61585.35137 68482.94104 19721.47834 51570.61203 49876.61669 79058.53283 59091.30275 85293.29006 36563.47112 0 48571.43855 126392.0895 28698.71578 52541.42872 60616.03609 53793.42345 29772.65507 96339.6198 26553.81558 38672.83032 55469.01723 43528.35118 33375.35472 140950.2386 15437.54235 20317.97062 26980.09745 0 48328.98575 0 0 0 Nicotine-1-N-oxide 0 0 0 1126080.153 1108996.558 1119384.66 252531.0466 262479.95 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 220837.3058 0 0 0 0 0 0 0 0 33369.72283 0 0 0 0 0 0 0 0 0 0 0 0 0 223351.6872 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 171451.0682 0 0 0 0 0 0 171653.705 0 0 0 0 0 0 0 780631.3285 820603.8086 838045.3188 185484.4739 178984.896 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 180392.4736 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 182562.5003 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 174477.7705 0 0 0 0 0 0 164370.3042 0 0 0 0 0 0 0 813042.7624 805154.5721 834032.0223 179681.7921 152336.8588 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 135396.5411 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 151450.6137 0 0 0 0 Nicotinic acid_R1 0 0 0 0 0 0 189797.9934 181659.3603 6183.251796 0 0 6073.357931 10169.34985 0 16232.04971 1989.384729 16919.79154 0 0 9436.082662 0 5250.89896 0 0 0 0 0 0 0 5734.991746 12054.769 174838.7943 4218.815826 0 0 0 0 29073.67753 3931.977594 0 0 7875.835757 0 3193.550514 0 17270.95903 3129.704393 0 4568.23594 5224.367977 0 0 0 0 166010.4906 1967.389974 0 20543.4637 0 5822.356077 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6879.829503 0 148245.0876 0 0 0 0 0 0 149843.0709 0 0 0 0 0 0 0 0 0 0 169127.5108 166035.7888 4923.93885 3395.314144 0 5552.671651 0 0 0 3122.331512 4158.431185 0 0 4803.890167 0 0 0 0 0 5109.277289 0 8580.682712 4105.825297 0 0 153605.6036 4193.911203 2329.429552 0 14186.68441 0 130948.3574 0 0 0 0 0 4163.937564 0 7069.404879 14791.43889 0 0 0 0 0 0 0 149645.2023 0 0 0 0 0 0 0 0 0 9676.881878 0 0 0 0 0 26591.67971 0 0 0 5364.553552 0 0 140048.3607 0 0 0 0 0 0 144606.6199 3548.273535 0 0 0 0 0 0 0 0 0 148533.2479 135206.2496 3597.452074 0 8533.42979 0 0 0 0 0 0 10049.29256 0 0 6283.470811 11383.11333 6132.622431 5324.177223 20193.8312 0 0 25908.92377 0 0 0 149020.6751 2815.808711 0 0 0 0 0 0 5727.16916 0 19332.4711 18281.96291 0 0 7236.631089 0 0 0 130073.6643 0 0 0 0 Norcotinine 0 0 0 40402.32341 39810.57881 41997.81693 7973.347221 2548.691254 0 0 1828.450249 490.4365576 0 0 0 0 0 0 0 0 0 1379.664563 0 0 0 0 0 0 1466.052446 0 0 6902.458857 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3693.568187 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1381.412974 0 0 0 0 0 0 5391.461303 0 0 0 0 0 0 0 36778.26114 36697.50188 34524.06608 6550.953605 3042.374993 0 0 0 0 0 0 0 0 0 0 0 0 0 561.4549631 0 0 0 0 0 0 689.8127328 0 0 5385.348179 0 0 0 0 0 0 0 0 0 0 0 0 0 6448.151111 0 0 0 0 0 0 0 1186.328955 3636.618832 0 0 0 0 0 0 0 0 0 0 0 0 0 432.2217886 0 0 0 0 0 0 0 0 7458.227679 0 0 0 0 600.8055026 0 1292.985646 0 0 0 0 0 0 0 28049.97454 34374.49511 30689.049 3838.080039 5144.701441 0 0 0 0 0 0 976.3939395 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3405.53565 0 0 0 0 0 0 462.6098094 0 0 0 0 0 0 0 0 0 0 7197.567006 0 0 0 0 O-Acetylcarnitine 0 0 0 37337.51455 38424.12527 40009.00701 12226148.66 12235887.8 10258291.24 10197416.56 8188664.917 3743419.244 7136597.899 2370185.258 12224085.5 9040341.464 38876778.05 5904989.834 17198552.98 800952.3432 10513020.59 10306351.29 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30237536.76 15869432.21 15659009 31216351.24 26823756.28 14925501.01 28654470.03 15483323.64 27712565.16 22261545.39 25208609.79 21317622.51 24632425.63 14796296.61 23061659.11 28398972.47 36699404.99 33122506.31 17064260.7 16365539.61 27632787.59 17977535.81 27007301.45 27787843.5 38975510.84 16531355.65 30538551.7 26481774.22 33839436.6 20712294.68 30700342.35 18019294.96 19661263.26 12109143.75 29000261.03 17728633.79 40457992.41 22976193.9 23035920.81 24987262.34 32980471 32641391.31 17722569.65 27491989.22 10057865.1 18277179.97 28544797.27 17372319.4 19911097.32 25359165.44 21049379.51 23425014.24 24017097.98 16421863.6 7114607.327 26619717.68 24962402.56 20953046.45 0 0 0 0 0 0 21594176.51 21747697.89 20334231.68 24484315.07 22784261.86 23364918.71 23020221.74 12472303.16 21414161.77 25239514.97 42111582.58 16073922.45 20040259.72 19268033.97 33749002.86 29680339.8 21222674.15 22203084.7 24815806.69 16094639.41 25902416.29 15091818.98 11090467.36 34287861.74 27510349.43 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7486411.993 10918381.6 15615619.64 24186170.93 23471375.9 17640790.83 16899421.27 18459298.02 10936801.81 22767806.82 19105801.21 17938853.11 24369691.16 12288665.51 13826491.34 22007034.02 20193684.97 31902141.26 21836632.25 22995200.96 37002388.72 23687200.25 21803074.63 0 0 0 Phenylethanolamine 0 0 0 112190.559 103337.2311 113506.7573 75017.22441 127026.5098 103804.871 93810.2664 80967.31126 141567.2806 100486.1121 53425.73184 110254.7479 78878.43167 71677.27652 104667.6899 123101.2921 97480.59346 114333.7272 73302.27397 88262.89785 138978.6463 106377.7514 99068.33166 190904.2099 115640.5939 111959.2541 36509.42597 152389.2899 120322.8305 99675.80874 81273.76817 47902.12275 33114.46867 46984.64853 126836.9496 37469.25349 23819.05183 115818.0645 119522.3578 80220.6563 106561.3405 33835.69128 97162.61118 71271.95599 113658.8892 67755.04981 93611.78627 123212.3392 21330.58184 97330.99644 113592.9437 110639.3027 82948.39408 85172.26109 136798.7604 107037.199 123998.0189 62700.32537 171325.468 115075.7964 122196.5609 94088.02516 107536.6689 102888.9988 64193.56799 112436.8348 82470.02978 63537.55708 59455.19292 57032.94864 30793.55138 115387.893 63138.00877 62993.94087 87375.78704 102141.7488 82901.58308 85742.87003 77181.06637 40661.4715 68933.86254 82269.24186 92034.27928 0 0 0 0 0 0 110034.3073 112158.4338 94152.78933 101678.3262 84636.75998 110181.9977 97622.7015 103386.5399 52558.85007 63705.7993 140103.8317 105304.8406 113325.3845 92402.42371 38607.1482 146394.2495 50716.85198 96101.11653 67754.40881 96763.31845 143667.4537 79989.94073 104087.0514 99132.65102 133563.6185 193071.0303 96557.79808 94811.33008 85937.53298 102184.0703 25518.94368 51599.96997 106116.7285 38162.80887 93335.10636 89257.09738 111555.0021 85694.89755 8925.291439 75915.8368 80349.16746 130800.5279 43614.41993 85891.4728 46385.6686 71518.43643 112220.6531 111904.4562 102404.3571 71029.46571 84405.33932 88824.97102 75570.02234 82832.17861 23182.53283 77655.50468 78792.50987 67261.66151 38421.58978 50593.39838 70877.36067 84798.37917 93978.97684 76630.40767 112190.8047 32474.41245 89785.40047 86012.81034 38321.49361 101787.9256 106533.6714 110278.6106 72104.37148 56038.00744 57856.02154 82289.84579 95660.08171 16226.54251 124745.4138 85392.16617 96467.151 89328.45017 105225.2033 0 0 0 0 0 0 95892.21365 95648.64044 103043.0872 94694.69873 85273.61643 127570.4288 76597.67918 102890.52 132905.5359 116177.767 49561.25474 108619.419 115468.6607 123723.9729 182472.3172 63516.50368 144380.5533 111078.4617 142589.6164 216597.1183 92337.35243 127447.3893 63714.58201 73922.29213 108345.5432 139029.1558 85944.24426 76959.07933 103805.6779 108256.4989 90011.47288 83573.64228 80111.25668 106865.8411 49993.03968 125263.3126 80339.08396 118631.1636 127413.3849 88009.7989 106417.5335 68358.16679 83710.39867 57214.84161 113054.9027 79597.16346 91604.99475 110264.4693 0 0 0 Phenylglycine 0 0 0 67841.86128 63609.03691 76930.76276 62830.10071 61422.16149 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 53792.02783 0 0 0 0 0 0 0 15584.43978 0 0 0 0 0 0 0 55590.14944 0 0 0 0 0 0 71739.99009 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 39309.22577 0 0 0 0 0 0 37019.94033 0 0 0 0 0 0 0 50388.08794 61887.21112 58902.29812 42150.59956 41303.90767 14040.31131 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 49491.54748 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 40413.9693 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 37050.59345 0 0 0 0 0 0 52165.67594 0 0 0 0 0 0 0 45315.17234 47168.4103 72836.76264 38418.71413 50076.97381 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 41597.28567 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 37086.56858 0 0 0 0 Pipecolate 0 0 0 202628.1803 228357.5121 242036.1007 536077.8733 518590.0809 389812.8009 379147.886 542499.8629 80676.25726 234997.6173 119651.8365 155739.7602 275359.6315 148571.5938 56101.79098 73548.54309 123897.447 394499.196 318074.7469 815404.7208 135746.6271 234483.2142 196932.2995 38508.96424 132565.4069 250359.9267 287515.4791 114839.8934 492388.8675 378772.7116 103090.3722 90771.48115 105817.388 312728.217 55783.97812 68140.42389 91827.53239 107481.6664 120605.8908 161655.7763 378382.6418 1358523.059 149140.2185 779001.8109 1423156.887 165924.4133 212410.3672 121746.9401 710975.4489 231625.752 81925.51959 484817.6371 363321.2095 502701.5523 197298.0938 78693.68472 90209.7249 46469.25633 299553.3207 128750.1276 163980.5427 183647.621 65137.07852 323720.022 89601.38501 122669.5074 110900.0582 233263.1122 246806.6175 92256.78994 271999.6481 114210.2635 78563.2639 95905.37327 424792.6332 310214.5866 333584.9067 57300.36766 76247.11218 95655.19176 42855.24919 354306.1155 307129.9864 0 0 0 0 0 0 167658.3949 191033.4025 177776.5023 411790.5603 384085.6507 329411.9574 334400.1517 78344.13049 44083.17515 474466.5679 139408.9349 160998.8114 73813.41365 121835.9892 4587075.699 69796.24812 46403.68868 289062.571 71967.17022 45201.20499 142122.4908 79458.74273 56631.45202 262267.1878 125789.9385 132097.1692 343865.881 152156.3328 379711.7631 314257.0108 54815.70528 210923.0064 152470.0426 222190.7019 158302.8382 128200.7263 138070.3273 120613.2115 1127729.239 430298.1883 298382.3014 81463.51923 1126143.576 313081.7342 35259.54295 87938.92701 236782.8539 154243.0676 165380.0356 87349.10779 91615.13812 382285.8356 294445.708 393847.7501 81762.38215 133884.1661 211528.1663 426932.3172 150310.047 1115785.162 120178.6306 140910.7919 313729.7356 305226.0858 772117.4562 51435.34988 91870.15685 274376.8478 101035.9884 162860.2021 2827996.424 143600.0175 101417.2092 151530.6044 362507.3297 309241.7052 85693.12099 29879.29171 367614.3929 95509.41411 76527.90792 379546.811 322903.9718 0 0 0 0 0 0 150506.2586 176800.4041 156200.1945 477830.0594 444098.3519 361899.3213 342086.9252 277891.0716 166016.9224 126331.2988 47746.24627 148021.0759 136581.6993 89542.93252 1310996.471 130384.0819 146766.9139 344358.831 368671.014 168112.656 147932.1833 164949.0614 326335.7378 82265.59814 157281.546 139359.934 748431.613 44405.37438 409548.2686 330252.525 55830.42429 139514.3464 84307.89303 70968.81881 146424.9077 127206.4586 405183.2265 43930.75968 836316.5197 51774.53061 308935.5076 79303.07812 172354.4721 414740.1191 43165.11726 197752.9059 372007.7868 273150.518 0 0 0 Pro-Gly_R1 0 0 0 115636.7913 126173.0088 122689.7059 77281.5424 88626.91762 707649.6103 711532.2865 1090808.581 1300106.026 684702.5329 522077.5214 542258.6542 786557.6083 1629746.219 725589.7705 760822.4795 1195808.842 729977.8564 1187595.075 1257728.632 976518.3008 929093.6424 476994.5716 976541.1216 1316806.657 996452.2139 1151123.872 1050619.897 105706.0853 711002.5643 757431.5672 1056807.337 516903.8773 499684.4087 752460.1889 949092.8162 289223.9838 1508468.314 906708.454 1458103.09 754737.9752 682079.3609 393566.2175 847210.2984 582645.5979 867143.0202 538457.8877 869633.3458 990757.5412 867800.5577 698520.6634 79864.67344 710116.5166 852711.0502 1403782.549 564978.2677 854331.8131 543765.7043 840561.3904 1166734.694 553804.4816 451611.43 805935.7058 634211.8511 684763.4187 571788.5047 631788.5092 759108.6248 663963.2883 801369.7893 269400.4982 778767.2053 343381.2823 1042885.094 66886.92646 695917.2816 774595.5413 844676.5074 540912.439 617019.1205 2088897.869 68315.60172 692509.1782 0 0 0 0 0 0 117005.47 144968.2802 126755.222 67336.56076 68973.59542 820179.7455 827776.3587 1233224.754 669490.3292 931472.47 1326082.56 1116472.463 1965653.889 1548612.464 1727403.48 1150453.126 739212.1996 905547.4246 2257864.072 1653298.11 1114526.842 561761.3047 711386.8942 1467150.592 1034710.857 984946.8915 843922.5779 805996.3125 61684.56174 872856.7962 682273.1441 379120.3871 1858840.4 724518.0725 793041.1155 561891.0156 1726455.691 985283.0137 801787.2474 697454.5913 683591.1396 1577928.4 761684.7889 897540.9774 1090399.379 1184122.218 864001.5513 1648225.615 690545.7962 1250708.913 1312412.347 51247.1795 807670.9308 1135567.979 367028.4936 647251.8408 971978.3629 907342.1809 748339.4237 577014.6988 630302.0431 578676.8839 703328.632 782546.9825 751695.0229 924256.7648 450055.7218 713086.7134 711705.8046 920664.9444 410636.7856 1043958.097 588898.5331 1036140.515 52616.47171 908563.4455 715552.4851 352441.0807 791992.9894 516605.2561 1433300.508 50414.07507 959859.407 0 0 0 0 0 0 141908.7193 157309.7735 149597.3244 84883.59464 64039.94211 980139.2943 939262.0389 1069354.151 946878.0225 689022.5501 1157952.431 943751.8887 1091307.783 1100367.758 2726295.525 1347743.224 1732998.675 956848.764 657766.2933 991773.4487 649781.1592 1003850.171 1068189.727 693859.9829 1176909.754 1607803.651 853463.3333 463790.5795 66566.45897 948538.7025 551005.1101 2286424.526 606659.2916 921908.9722 669180.8458 2376986.574 940113.1565 905363.482 1981975.656 1405650.001 923370.2066 1171266.124 586389.2083 764456.6825 1021508.575 2211667.821 66450.23165 873435.2735 0 0 0 Pterin_R1 0 0 0 98999.34806 93973.77974 105650.7461 93187.10525 90858.36137 123368.2909 109847.0543 83919.417 143544.6174 113584.5011 65977.41683 272884.9556 133873.048 92207.57914 43323.16948 64667.4611 189073.6093 156043.4037 89981.25487 206118.1417 269967.6854 235425.8951 132743.172 110716.3045 70089.13244 169279.0013 82683.65826 145087.031 103323.6904 147516.1802 59869.3874 219516.0616 66805.02606 106645.8759 168937.0656 108174.864 56381.4666 201431.5521 134312.2291 93698.84205 150924.0151 155972.7038 218483.4509 103803.4625 142456.3099 77567.2253 157345.2646 100836.6867 169946.6379 148557.6447 109232.9531 94743.39819 156221.4065 177107.2411 89865.35178 97173.83854 302757.9776 64743.16882 190067.7229 221410.1065 119846.8066 116264.8141 99052.40595 157773.2702 91118.55679 117121.911 110165.2481 61466.04748 93539.44413 146971.5004 81926.2807 213654.6718 96928.09008 103464.2564 79109.8181 140351.7582 108124.7591 115351.4731 179314.7109 83446.04378 144709.2873 76706.67642 138119.3255 0 0 0 0 0 0 105843.2689 110073.5099 130857.5183 82722.79205 85099.39908 171448.7871 164670.7529 209425.5114 241624.6853 142777.9048 117849.1536 249120.3232 193049.1438 130340.9243 69311.75858 125573.3845 249328.3075 156218.3697 166922.7089 181154.4351 221575.3235 80567.1313 175239.9417 172798.8617 64442.39889 111979.5919 104161.726 130781.4019 94398.83801 167986.0895 126014.4329 57394.96782 103382.6186 132806.4549 62349.59843 101768.5023 177858.9388 116194.6616 131150.7008 243637.3279 140451.3977 188395.0867 70357.04687 168037.5471 53410.39123 35430.49289 109968.4236 142814.3927 91692.81771 88359.88186 90426.19908 85497.39163 154199.4096 116923.7577 185483.9959 188058.1511 166148.1164 106531.7418 175757.6668 70124.61786 39020.46182 97057.34654 118403.0185 148841.5939 114815.4755 120515.0951 147976.4051 109213.7958 99658.49429 105076.2303 99351.70249 114830.4119 111301.2052 93581.73783 77689.86007 155993.5795 144229.439 53243.89882 126680.0663 400779.3544 215525.0503 84816.76383 176712.6081 0 0 0 0 0 0 106233.6631 102975.4783 103525.8655 88466.81552 86378.64303 140561.6677 125192.4408 134976.8667 323905.6843 164862.3053 209676.3986 56095.64866 168901.0076 129570.5242 98628.7167 91453.74033 150141.8432 129488.5241 53126.2785 341470.954 137182.0481 136196.3086 112210.1149 96587.43395 139236.55 173768.9227 131823.2485 108304.3681 82180.89029 132469.0939 136077.7786 73561.3249 162536.8855 83810.14116 47750.29916 69231.36255 95289.68809 83097.0545 51928.32337 62124.5336 129781.9471 40133.85853 82451.79602 78668.63097 78683.88488 31284.04253 79284.66852 116565.0048 0 0 0 Pyroglutamate_R1 0 0 0 4485015.57 4409065.16 4596703.237 5083935.815 4849005.413 4001352.269 3788870.343 2876880.728 2183892.255 3807226.328 2675252.736 4552794.473 2947937.103 3225807.339 2406099.783 3497454.64 2380916.415 3761528.731 2254945.712 3615948.556 4398814.427 4128706.517 6574309.244 3258261.226 2520158.716 3859820.812 2294927.132 2570634.463 4865334.13 3820755.5 2328270.616 4441367.612 2421475.815 4067709.11 2834257.325 4266795.354 2995584.245 3637200.056 2319718.257 3297353.705 4023892.891 4858219.526 4766297.768 2600012.284 2896635.117 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4998.653969 8696.388651 1234.948368 2358.372926 0 6370.143201 0 5503.806193 0 0 3242.290215 4730.309668 0 4183.45413 4547.762942 4090.208132 5097.525986 6248.127789 0 0 0 0 Uracil_R2 0 0 0 37339.91924 34346.83834 36314.89903 43483.35038 41357.0952 56522.15966 58900.60513 50099.07052 49309.04124 20710.11473 54471.7216 72983.86544 42878.5865 38058.98695 26022.19972 141805.8135 109677.0321 62749.81738 32342.77032 51175.44577 65742.26312 38620.21618 110250.4623 58887.02648 38678.81688 37550.03036 32991.8026 143719.9609 45966.64137 57885.86017 36833.87623 51729.9169 52207.61634 32996.2675 42392.86988 104238.7318 24426.21908 130870.5166 118848.4098 49252.39591 57483.59621 28944.87909 85788.72169 35303.62477 84630.34767 43079.2746 20005.03163 44315.52435 59626.5559 57560.58605 44035.11528 37900.93183 59912.25807 53017.90974 43796.08081 34715.72592 54962.80937 67856.4749 56249.39306 37665.75796 10854.59097 37112.09497 42560.9565 53761.85204 23409.00111 51662.56976 90777.7169 115537.6937 64230.33693 26276.12507 20870.15176 36931.50789 57827.42277 105068.1651 36287.21343 54512.36324 84464.41723 36218.84144 89834.03102 22247.25434 46617.96664 35158.2928 50744.85532 0 0 0 0 0 0 44991.37165 42788.82447 40558.58004 50429.82719 52315.89969 78131.50359 76509.40341 60124.0195 84175.48565 131181.7384 93531.202 42148.80821 104840.3161 140856.243 123237.1292 87716.47756 83793.17158 75943.81933 92740.90372 77046.06836 115813.7821 117398.0598 57597.1478 60644.30868 154363.2015 95665.133 104131.0703 35166.41188 48710.26907 79580.65292 72734.17782 83491.53621 124347.4493 60933.06233 40748.20718 142299.9289 47839.62329 58545.15676 41017.41513 69475.32255 62468.60661 50741.03425 81352.42893 36721.51717 73168.64506 77433.12689 54051.40706 41991.11582 48434.42195 95125.99244 107153.6495 44377.75126 70473.32487 53958.64965 60063.46541 50095.09503 44562.79049 94635.817 84845.66607 73941.44037 182175.9626 46020.24421 78474.05884 65177.79446 67478.2362 68598.20523 30445.32222 49921.02836 91914.7375 31731.20663 21603.17185 44164.98926 44713.85348 108465.3957 47682.02505 70312.49306 105808.0878 45609.50637 41643.2707 82265.31486 113075.0162 44083.61034 74981.52737 0 0 0 0 0 0 35362.97547 32766.69545 34218.61411 46111.5857 41961.12759 66663.42783 61821.12396 52988.80745 28294.70439 33855.68602 68772.07204 120275.3334 144630.8095 48451.29787 82185.24997 31428.08104 26503.1067 72666.00828 0 25671.03648 87960.88189 81878.51011 55940.13133 24463.85142 113489.1684 29349.169 40976.51932 46875.54578 46775.38626 66656.99707 53755.08256 24077.87539 67631.34344 29776.06821 92423.22856 28181.02165 43675.33165 31253.8735 89011.93115 143325.2767 61610.70729 64450.52922 29049.46915 42067.12676 34459.2257 78817.67593 36551.83848 63341.87829 0 0 0 Dihydrouracil_R2 0 0 0 6252.187966 7046.258787 7697.773794 12105.40116 10910.86873 0 6270.625095 13887.88435 0 7322.626409 0 10930.40657 5559.148693 14618.76567 5665.528349 9931.332627 11599.41342 9228.797739 6265.93632 8000.498797 0 10582.80049 6878.120647 0 0 7587.764496 0 10199.11385 9997.204849 0 5890.905656 13261.56019 5836.012431 0 6890.776965 9813.445298 0 9355.899532 7715.105109 7626.2507 0 0 0 0 0 5965.277967 8335.172734 0 14692.50671 10291.18317 8697.37138 9818.440439 0 0 11331.87917 0 0 8433.969703 0 0 5284.740806 0 8720.232258 9372.824033 0 0 11302.39846 7795.657239 10288.04422 7080.138887 0 0 8369.442795 0 11752.14728 0 6443.877206 0 9193.828378 6819.845476 7472.098848 9410.266677 8925.332188 0 0 0 0 0 0 10656.40152 10472.81552 8664.698679 13136.63959 16111.96841 13781.26147 11346.13908 12503.98803 15337.44268 10734.89495 18306.18106 17105.25993 17958.29801 17367.44901 9623.283736 17521.77542 14412.61699 11510.95185 14205.58777 14555.24489 13593.94764 11358.10278 17631.67592 19490.6069 12594.25522 18762.55592 0 9776.173088 12340.53311 12583.18556 0 8552.034562 11598.79577 6847.568112 9035.232766 19375.94376 13483.70114 11383.27699 10698.65752 26622.74884 11009.64378 10149.01477 14018.84197 9510.524793 9537.690023 19606.19857 11696.55888 12608.85023 9598.236502 17983.80773 14988.11014 13572.88882 10861.34217 11439.63054 7768.5878 11035.17422 11707.65939 10643.15842 15298.23259 13388.36247 9419.320496 8947.180242 9784.359168 11194.04909 12495.32441 7287.014791 5722.982761 6672.43024 7940.12469 0 0 12770.28859 9194.87055 14941.87497 12315.84536 12797.5951 11466.42726 4038.964133 13440.09788 14650.15012 12881.51366 12096.66713 0 0 0 0 0 0 0 7969.729063 8324.163838 0 11929.08523 14810.30351 10224.09779 12138.05469 10428.98372 12264.83223 9245.453314 9986.762051 19424.42085 13807.37106 10775.79114 15616.81856 0 7362.493024 11902.33267 8410.484288 0 11330.98003 14912.55781 8655.674119 6882.291461 8184.758837 6410.971187 7158.457048 7369.319633 13129.61847 9332.583146 12358.50638 11003.05294 15877.26939 10492.03908 7249.439894 10935.38674 10958.51153 0 13707.19499 13664.32659 9218.876605 0 9882.834737 5506.797421 8185.993333 16428.38188 12862.44641 9920.172257 0 0 0 L-Proline_R2 11801.31969 14118.05295 12356.3997 348347.7539 347050.2541 347672.0228 263522.5236 255340.1534 408987.3433 405210.1093 357632.5951 994760.4565 462535.3665 181871.9489 448231.3747 503672.9829 682237.9477 137988.9644 356839.7912 274937.2121 407581.5461 524491.2642 307460.2118 457202.6496 507641.085 369501.0176 457943.2736 233753.2971 457299.0149 484450.8643 698870.3697 244532.8375 382342.039 226061.1461 363747.4614 219330.0346 317242.2064 449757.2696 175660.3864 213824.1924 687051.3954 627807.3282 299740.3699 374441.8703 277082.5503 588764.5687 401784.6848 272919.5323 568763.1887 486731.186 387304.3068 448607.4301 406104.0684 143593.6504 234450.9312 343790.1823 453942.463 256100.4979 228553.122 206478.4857 193854.6269 428138.2065 269378.387 332243.3427 173661.0174 312876.8905 310302.04 172855.1481 303639.9223 193590.2928 209052.0135 134483.9403 170133.4168 160246.6574 267580.6027 217777.5416 244282.9454 190015.3229 303894.3881 411641.9986 258702.8026 271859.589 351403.1878 286886.2165 182143.0167 287829.9132 0 0 0 0 11995.27617 0 249527.2028 262514.0888 267681.2325 185173.2481 177141.7213 357235.4605 362875.7841 512582.957 256463.1866 436588.9058 383624.9065 439373.567 610192.4459 634110.6796 274739.0703 414594.0265 262877.3898 339899.2711 740836.0167 339909.6222 973404.2544 195404.27 399265.338 393707.0524 268134.934 385739.4463 357476.5332 311596.4443 183270.7161 338426.3814 289997.173 478584.3318 283622.9509 339421.7019 317677.2668 231059.0452 597607.4706 466068.7179 331892.8461 359170.2249 332981.015 263005.3682 325359.4036 323212.3205 235150.0806 311448.5676 334295.5059 437734.3493 182159.5639 288416.5142 309356.5817 0 327304.9774 576597.3134 178066.5836 247268.9895 306967.8169 0 353165.9179 315109.6577 195390.5394 156671.4875 244724.3495 350868.2304 273303.7182 621973.4678 175891.8803 0 525018.3688 585298.1129 550005.5605 649002.4447 263946.8902 348051.2633 174863.4077 362396.202 399249.8286 165583.5421 301616.9902 250323.9837 229837.7094 189736.5342 353915.2214 0 0 11529.48554 24410.23724 28406.57025 18941.59039 0 305753.2726 317025.9265 220133.3411 206479.7132 413737.4902 387965.4735 201488.5975 0 242649.4132 319252.6823 217810.8353 290067.8072 257334.1232 384217.7174 285896.8395 618052.2797 369660.7242 1391679.789 0 457747.4392 367622.5907 268187.6175 273530.1709 433038.2994 577348.7695 213833.7415 378103.1039 185935.7643 346886.2169 259830.225 263716.7456 424316.0493 234681.0148 314005.2681 249767.4928 460174.1588 177911.815 404086.2745 286837.6502 323732.9769 208015.8036 174559.7445 131577.2688 171290.5557 194833.7823 166804.8656 320536.274 23341.29514 13905.86088 36647.77965 Guanidinoacetate_R2 23603.55419 10936.69681 6265.626601 9238797.198 8904886.965 9246015.73 13617416.03 13513596.68 12057190.28 12177980.69 10505744.88 3208792.128 9206272.837 6065734.42 20468714.73 15028622.16 32041089.81 6534705.743 20809073.42 11483505.1 12748388.33 9301210.635 10711167.06 15261090.27 10699454.05 6012442.863 12184679.65 13250234.99 12745039.82 9105963.061 16553045.79 13158589.66 11482715.22 5029084.105 12988747.89 5844560.333 5901876.179 15241153.64 29797504.63 5490701.42 17457396.01 14986176.09 9122347.884 12029240.61 12658276.47 14857819.28 9784357.501 17535348.84 13430606.6 11236665.75 8871635.258 10615669.25 8903181.826 9546119.385 12825179.91 11893262.33 15082356.98 13628673.85 9119958.539 14358606.5 10392693.5 24130528.97 8897371.199 10942186.72 8501109.761 8501882.866 11033120.41 4424770.283 11278203.81 6470765.255 10329683.18 9954922.395 6122550.369 7797255.451 8965590.845 7539058.052 8126132.184 11618106.89 10893118.04 7814279.342 11718477.74 15382621.74 10120623.6 9443512.837 10932196.48 10410340.04 28002.70668 4891.781807 0 24090.42863 10166.00877 7824.736188 7815351.994 8160436.461 7885003.273 11092504.34 10536843.41 11799933.16 11811827.71 5340867.58 5516279.087 4058588.463 9603940.692 8257335.707 22627505.29 12487951.32 14584850.45 31189105.93 5559718.945 12001446.53 14690312.18 14018825.21 12925341.93 14187331.2 11613415.45 10758445.65 15342714.91 8884365.284 23209274.71 13516478.79 11155401.24 12176323.11 19555862.19 8239787.791 18535214.49 8991279.433 14009517.61 7230603.011 12613653.81 17006256.59 11381505.13 25049129.39 10958076.37 7982818.18 14325661.53 12069063.57 14269615.46 16849072.24 8260521.968 25028944.99 12200759.07 8570732.519 8981223.685 11020269.21 11775560.74 13600051.24 6718346.266 11748258.57 9515037.738 8289949.536 17408455.69 13215330.42 3812483.556 10110223 10879657.21 11467080.87 15254827.71 17298873.47 8582791.078 9520235.929 10682671.05 24737585.64 8609648.745 12308591.05 12699275.39 7663441.806 10511640.4 12825465.8 14839107.26 5732658.308 6971169.213 8827807.333 20218760.48 10724873.81 13763482.92 22437.93078 8437.553631 7934.219348 22516.85503 8172.750761 7140.334038 9277804.006 9067952.687 9157538.984 13917468.21 12980940.07 14424089.64 13665263.54 7399557.593 7698332.238 13804496.62 30786686.24 14420432.86 11111408.65 11135854.56 12080571.86 6310492.967 17597697.72 13541240.85 8739747.17 8080524.911 12235259.04 8271946.099 10003803.52 8042073.457 5086031.334 16280026.08 7517257.863 4462681.595 11572471.07 12753053.69 9629091.013 8467069.374 18251873.31 6464900.88 11200905.07 8537414.43 7538771.779 8497097.935 29250730.83 13434320.51 12219015.48 12112230.12 12934449.56 8312449.572 9669533.667 7392502.768 10279203.71 11001635.51 17518.31869 6505.063791 3761.692373 Succinate_R2 0 0 0 33543.78846 25634.55744 29263.08251 27428.91252 23102.72645 34596.91943 35315.21904 33492.71209 60966.53211 16149.72228 29027.49909 40378.5305 31224.50515 40084.93303 11602.42272 50557.63141 33524.1307 32072.09053 18243.00043 25634.72866 42938.41689 39320.90087 71560.10106 33710.84305 14937.42068 5954.710854 17887.43641 44456.63836 28982.42608 36229.00482 17140.87041 39198.72932 24740.27856 19583.41214 18819.52452 64046.73225 12073.46936 44144.12435 36389.83701 33350.38074 38672.88007 55467.97457 39370.7055 21238.70293 28922.88573 17126.14134 28969.91023 25372.75849 58439.11699 36641.88456 28718.63322 29045.19711 36344.30136 32815.62144 51404.74801 29305.96958 11738.51974 41349.83978 50347.7673 39725.87131 15442.44633 18923.78221 26333.94869 30021.89573 25675.16869 34921.87775 43789.70097 20612.11887 24823.55733 21577.39875 26985.88491 35770.43009 33462.84497 57218.93886 24587.00268 26811.21722 19398.05248 21060.17881 36402.22309 10611.16493 24928.36613 19770.49019 23622.22956 0 0 0 0 0 0 27720.01603 28940.31077 28998.08753 24336.56502 24331.84941 41562.23165 46678.53984 32727.28646 43992.8713 27443.82157 77994.32309 33097.96745 63910.2932 40414.19092 37893.05181 35834.56718 57514.52379 33930.64308 54298.79569 66051.9432 53220.69319 44536.62969 49130.18676 44670.88547 75457.74627 79196.24621 50379.15428 34334.77425 26570.09626 40084.40772 37707.45868 25058.12524 39058.89462 29702.18941 24120.29792 35130.32197 72980.10312 33425.75298 28056.47672 26563.03212 37230.9104 40641.23414 63471.59358 28793.18807 36410.88799 33714.4499 29522.69308 53994.76959 40571.35631 18703.13769 15898.2235 28053.65411 40722.3061 23448.26534 35102.80879 32157.04848 27442.32531 32951.7886 40664.09631 56478.5027 38639.57281 32827.11834 21539.2708 36453.03692 30838.1801 27827.28462 23214.48449 34163.75331 25187.87688 32370.33853 14555.88874 32215.73089 37803.33461 24252.81565 19386.56629 30667.95486 38956.39251 14638.30158 15990.049 17419.24183 37291.49336 20616.24364 38352.82813 0 0 0 0 0 0 15986.54069 19481.61919 20176.5273 23005.67092 22047.72157 32022.32019 28833.58517 16496.94763 19159.89839 24631.39247 27906.38345 26974.73552 36844.06787 21176.13427 56775.81628 14443.32267 17489.81021 29011.00262 19659.77629 15975.41253 49858.65581 37464.0239 26389.62357 27130.46848 29591.37155 17354.219 15644.8697 19596.78895 16371.00517 28472.50218 23068.29687 19057.46487 30023.38758 15966.02707 17824.65634 23262.84393 12910.21028 24704.16023 54354.82616 23896.70038 24981.89167 21296.93008 16791.44517 12744.51355 23665.0966 37771.72895 19683.90424 24339.18607 0 0 0 L-Cysteine_R2 0 0 0 20171.24596 21021.218 19348.70546 0 14471.17104 12467.84813 11955.96069 16833.1397 11331.4495 0 0 15302.65181 0 0 37062.53734 78157.16539 0 10214.08622 0 14020.8779 19145.52363 0 43917.99135 70403.93308 0 0 0 0 0 5665.105557 17584.75364 0 0 0 7791.648408 39084.63486 36147.88363 0 0 39868.82989 10025.98167 0 16594.12132 2595.889551 0 0 0 48357.40986 0 0 43602.47371 0 9713.576416 21034.56906 51777.64967 18270.26406 29922.52266 43464.28068 0 0 0 0 8192.43441 0 10475.43001 0 0 22889.13364 0 0 0 0 0 0 0 0 0 0 0 0 0 3724.317189 0 0 0 0 0 0 0 17282.74609 19709.80853 21976.18755 11866.07347 8701.077519 9419.62018 8921.254971 12065.9336 50699.61365 0 83843.87071 11962.43126 0 0 39494.81058 0 48872.52154 10853.11536 0 28743.91209 0 36578.19419 8438.644574 28307.44022 28321.45396 83422.54079 16268.22561 0 9944.178171 10550.90142 66434.22533 0 30035.15482 0 20184.80716 23523.9311 38864.97356 0 0 0 6118.914046 13079.77633 16231.76191 9183.819988 0 40087.42611 47582.58528 18605.82623 26116.97105 18142.18538 17059.8286 0 9968.448713 0 8842.935235 42342.56782 9528.437981 33352.61875 0 0 21979.69369 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12157.53419 0 0 0 0 0 0 0 0 0 0 0 17142.15265 20966.48083 24597.22681 11101.15103 10613.87598 12727.80457 14017.03048 12278.73642 0 38050.85655 8343.795712 63583.90916 11033.76323 42803.44539 50575.33075 5897.064962 25985.40795 10969.21955 0 0 0 35701.9535 37765.13151 0 0 23310.13191 50165.18204 0 0 8958.60278 0 32069.4865 0 34177.75475 0 29160.69763 0 27499.6309 10418.57605 26886.5724 8260.666432 43209.16759 8935.941981 5367.632077 30494.19329 75374.58628 3486.771833 7790.240678 0 0 0 Nicotinic acid_R2 0 0 0 0 0 0 183445.2117 177960.5978 0 0 0 0 0 0 14333.02831 0 17599.70931 0 0 0 0 0 0 0 0 0 0 0 0 3655.536114 11024.36496 174517.325 0 0 0 0 0 25839.73859 0 0 0 0 0 0 0 14113.47669 0 0 0 5436.643054 0 0 0 0 159838.5441 0 0 17295.54703 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 175851.9759 0 0 0 0 0 0 143640.1207 0 0 0 0 0 0 0 0 0 0 163962.9423 160312.7913 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4545.230011 0 0 0 0 0 147452.3042 0 0 0 12194.08675 0 125828.3912 0 0 0 0 0 0 0 0 14024.31486 0 0 0 0 0 0 0 145371.674 0 0 0 0 0 0 0 0 0 0 0 2528.561214 0 0 0 25565.84481 0 0 0 0 0 0 135392.7726 0 0 0 0 0 0 140415.2054 0 0 0 0 0 0 0 0 0 0 141663.5234 132892.0079 0 0 6167.523242 0 0 0 0 0 0 8060.342649 0 0 0 13232.2707 0 0 16927.3497 0 0 23634.9961 0 0 0 143281 0 0 0 0 0 0 0 0 0 18860.59462 17785.83163 0 0 10294.84793 0 0 0 125650.1681 0 0 0 0 5-Methylcytosine_R2 0 0 0 302824.6114 291650.9814 307784.427 204736.2401 182737.9565 238308.0424 240192.5638 194248.0773 339770.5228 210318.0239 261047.1148 293253.9278 253236.1592 378418.0024 194290.2796 368234.2688 193832.2993 234155.2354 191916.6591 230692.1894 245305.3055 227011.7431 375875.9685 272213.4488 173330.8028 259404.7148 189580.1375 273946.2984 196146.8778 232257.292 190633.3717 239609.6585 224841.7812 202166.2474 179728.4304 261778.6236 192216.0008 263824.38 235553.6494 199629.3099 234383.4579 227695.871 400019.3365 190126.4447 208047.7862 194176.6832 243387.49 205109.5099 176375.3209 239552.2267 143174.9465 207692.8431 217707.69 284446.7285 350204.5674 220708.3984 224735.6954 216817.884 249385.8487 225843.3816 213844.4032 221383.4895 193700.5568 196896.9284 221325.1757 206716.36 226872.0156 315045.7946 129936.6346 161890.8511 170642.4302 205675.3986 172080.8975 219760.8048 161008.8166 190844.6669 186681.9842 197739.5353 187515.0035 149695.6848 192878.805 150580.5529 177344.7027 0 0 0 0 0 0 248242.2772 293859.9025 276368.3361 188294.0922 173347.5543 261714.6761 262787.8149 224264.7862 286409.7813 175537.5115 342492.2913 197975.6072 294934.0849 347305.9845 208861.4395 298642.1592 300774.997 245285.7082 258298.5944 276943.5195 274731.8975 247951.8465 227318.6729 267215.9975 377261.1238 302474.9577 296164.6662 244122.3518 195512.5961 236189.1535 370000.5854 244663.4054 286794.9296 215541.8395 261121.0335 214615.1502 476510.7347 304203.8759 158482.4553 428276.4199 238850.9293 304610.7995 398281.7549 190002.1633 301498.9039 215022.8781 339220.8322 396455.5638 322594.7628 203598.2759 218798.7362 179287.5419 239996.3177 225024.6139 150720.9996 164272.0298 298689.3691 261596.7746 234695.6695 371174.1816 180814.0394 225684.162 278849.5006 254862.7637 189609.468 187626.016 242810.7743 168936.9599 205513.6003 295014.6653 225349.8948 318617.8565 185016.564 186728.5489 154281.0706 253612.6472 205550.3206 157359.2967 131273.6571 237686.5288 255692.9446 129779.0473 281841.3154 0 0 0 0 0 0 264453.3348 243330.5515 245897.019 150216.6372 154451.479 238594.0173 227179.4214 157778.1722 228477.3296 220502.9057 260743.8221 234958.6767 255600.3659 205836.574 302773.2176 219963.9428 183061.7856 217576.5144 242514.6651 233044.8482 224685.8121 245323.2639 145244.5159 198761.2264 186881.064 167263.8716 165539.378 223769.0761 150186.9329 224711.2277 145864.4938 200446.312 222777.3905 192874.4981 181791.7984 225527.6944 135149.6552 137108.5318 254046.8029 202540.2443 190552.6321 166923.6499 112039.9001 168575.0271 146058.1653 303412.0796 130358.2474 195250.5395 0 0 0 3-methylhistamine_R2 0 0 0 60506.98476 63621.8791 62003.35805 45676.26585 44059.06465 55863.79537 57008.90789 37983.31015 54891.00881 65752.36126 52861.04556 47381.46855 56922.42533 60519.48921 36689.6806 46677.95392 45375.00159 49976.67197 46975.9131 53782.03092 44435.17687 48492.85678 62812.54077 48893.52677 52902.79552 49941.48815 43528.12141 40828.03125 45644.25809 49704.47581 30012.01557 37834.48357 44530.12476 34818.39516 53425.47469 39259.61738 29672.06501 81080.26909 36595.98943 66721.41728 53079.51368 36880.78222 48251.93199 51210.38199 50638.4699 28419.49683 51771.04101 52025.98794 41897.11661 66207.15528 25958.86004 42916.51846 47923.63488 44153.30628 47158.82784 36033.21779 56467.63274 41298.84588 52366.56837 81581.04914 27135.69927 43353.23712 43940.00981 42610.03302 43102.52628 61137.12613 34619.11732 44008.15236 35202.90715 41037.57257 35044.13325 83409.30432 37401.23701 54893.54736 36424.8232 40129.19821 26828.08304 25110.62317 24231.85599 36809.49547 35002.28418 36192.46997 42819.20342 0 0 0 0 0 0 46539.28737 50098.17504 46216.09638 33799.42058 35257.43817 43387.42882 45632.41642 23179.20849 65037.03903 29221.68753 60444.68493 40165.91528 58308.94762 75781.11337 45801.79353 48721.87118 70565.44453 47256.88034 32835.72721 32525.41095 40513.79464 41230.38001 31005.98904 41838.16596 57589.64154 58725.44273 36188.649 28072.4795 34725.9076 46378.28343 33624.38243 27645.54238 52967.59238 28692.06776 30510.88563 68903.82105 86518.99743 49574.04299 46927.01956 88440.18828 42669.96295 30074.82227 47406.70577 35662.18702 39203.51964 74526.43351 41337.96407 49260.11495 26657.79142 28530.30144 43888.86243 32779.04017 41029.06891 20014.08712 31171.16301 45034.34386 90551.76825 38061.27772 27672.7627 56311.60245 29485.74921 26302.10955 36773.13058 42588.24787 42949.90995 52380.72957 36250.2081 28386.25528 36839.04915 54933.64249 29645.56196 50545.25078 46159.8949 36868.59737 25304.25517 38495.11024 105942.4816 30009.56206 37743.86104 42007.81318 42316.7732 37467.06321 42612.13245 0 0 0 0 0 0 56021.98501 52627.19514 58682.52631 44912.23753 43514.33712 53434.20458 50396.84976 44772.17034 48612.51124 51172.77023 29459.59535 48640.12 35845.49519 29671.18446 68610.64801 34549.63782 38198.08305 57534.18704 50171.17558 49492.59944 75529.13522 52169.02441 54913.8266 30043.68886 40934.38335 35555.77811 29307.66316 33469.40883 41115.95602 47103.49773 53330.8103 33322.01792 36680.57606 31259.60868 36194.39709 27294.26337 66157.15824 41398.89529 30207.07936 33554.12168 37799.97857 26145.59273 27128.98248 30490.18109 26489.82572 42241.69063 37057.15741 46030.48636 0 0 0 Thymine_R2 0 0 0 0 4692.391779 7023.337129 12822.0999 11942.36728 13924.25743 0 9676.75761 0 9131.48419 7043.058372 10718.33222 6562.360494 14912.53636 3900.260095 15244.42392 20924.86356 11953.83111 0 0 0 0 14898.58366 0 11020.79141 0 0 18400.49641 12459.39138 9965.92064 0 0 0 0 0 8825.383921 0 11788.2654 16788.78014 9381.840722 0 0 51830.96841 0 9567.557902 3717.375006 0 5487.750425 5755.411948 0 0 13533.04626 0 9606.123427 0 0 14355.40854 0 9473.683197 0 0 12433.33343 8214.867268 5644.628634 4054.407946 12466.06738 0 19363.77718 11094.28019 0 0 13036.42859 0 19397.1472 0 0 6165.851793 13467.26142 8624.571704 0 6835.179416 11627.82284 8086.282046 0 0 0 0 0 0 7480.590555 6434.420218 5991.830036 13140.73941 14432.43223 16865.63843 15012.11799 15651.7274 11047.62646 19786.50822 16191.27665 6099.731648 15588.92039 22233.14867 37217.83345 16154.84582 0 16915.0323 0 35500.07977 22801.55021 11668.00089 0 9403.685665 21056.41109 13503.50988 20693.6545 14206.27131 15143.93015 16059.83341 7479.533137 17975.99575 19859.94905 0 11239.91605 19832.40456 6192.339508 13397.43784 0 26519.05194 0 0 14105.41973 0 11045.31199 16040.8374 12704.13871 15833.64744 13165.04376 13464.58898 27677.09662 14481.61205 0 23159.44524 13458.32293 2938.808663 11828.33383 8379.211865 13117.52306 16471.49174 14102.64476 13447.25954 40751.30209 11103.12254 13178.87498 7960.094544 0 10376.69231 7653.401168 9416.029778 6042.308127 0 11629.62116 10409.90175 12102.31026 12979.92454 9983.969158 7644.445956 7038.32473 20250.43085 12646.41527 0 16516.60992 0 0 0 0 0 0 0 5932.463841 9308.935226 12310.23326 14488.94991 10436.01917 11667.79901 0 0 7691.403271 0 35953.56929 15666.02038 9888.207358 0 0 0 12673.62641 8708.268866 0 0 0 0 0 23953.38313 0 0 14801.68939 0 12619.70559 15839.02395 0 0 0 0 0 10301.79774 5630.329753 0 46563.99184 0 10874.79423 0 9152.929898 5660.021961 19011.9818 11707.499 12366.24835 0 0 0 Pyroglutamate_R2 0 0 0 4698298.135 4353711.212 4774717.589 5096786.039 4884186.797 3899304.954 3724489.752 2836611.724 2071975.97 3596881.634 2532557.323 4523124.554 2913505.016 3183195.662 2272316.783 3324666.09 2323429.54 3759142.056 2268287.781 3392459.987 4099275.604 4066059.74 6209378.137 3076656.851 2585437.64 3702600.657 2298113.521 2439357.211 4790733.655 3543991.304 2265218.176 4324823.607 2334293.231 3914383.229 2656982.257 4088848.115 2975049.826 3713791.918 2243163.495 3227271.404 3907238.482 4887411.534 4227823.954 2454775.093 2716216.997 5402442.075 3699363.204 4050562.499 3545384.239 4673905.543 2769659.31 4925082.738 3686991.653 4700324.855 4088669.583 4025116.093 3449319.11 3116593.372 2014560.776 4129315.304 2304172.576 4395994.36 3727593.878 3242197.369 3323918.263 3874364.288 4013530.566 3893542.126 3258700.978 2014155.55 3394890.375 3966526.618 2688052.035 3008876.21 4330902.127 3028035.041 2958207.85 3102354.255 4307668.014 1441192.569 3184024.862 4079342.715 3019558.673 0 0 0 0 5185.208955 6536.162122 3742116.547 3884633.564 3655128.916 4353484.47 3912044.617 3675425.781 3693954.654 2754248.902 3970156.407 3592314.948 5346614.043 2473543.422 3491817.861 3291625.22 4354022.962 4063919.526 3948984.022 3417117.875 3662656.324 2904382.863 4076139.47 3292493.64 2306803.497 4400764.213 4395884.544 5426158.133 4048597.66 3034900.744 4103906.606 3391055.932 4101228.839 3629215.39 3829086.96 2345985.103 3648400.298 3597956.292 4961748.837 3984563.586 3254886.331 5382590.971 3336635.119 4604809.546 5762444.493 3308808.477 3358001.348 3511621.527 4114085.415 4737859.141 5808555.841 2671056.212 2750207.866 4509377.948 3782550.278 1991007.27 2944178.376 3263106.932 3681583.441 3168257.06 3394416.715 5703538.518 3115537.152 5100156.22 2619754.136 3504367.704 2750109.751 3577911.088 3327502.824 3477455.225 2221429.088 3734407.914 2708125.206 2363048.035 2085257.116 3064664.958 4202078.147 3683996.361 4529667.99 1862506.167 3308109.788 4288221.95 2631209.04 4425625.17 3731378.084 8944.08391 10180.01371 10353.4312 6162.876056 0 6220.264032 3901114.611 3718909.227 3736949.798 4127927.445 4403767.385 3350621.314 3435796.456 4451922.644 2997755.199 4306612.644 3442802.186 3697226.42 2754728.231 1883773.352 3668417.063 1493523.162 1728085.671 3255721.289 3505468.824 3283865.917 2921826.348 3775333.868 2544552.855 2958533.474 4021549.688 1706724.501 1805090.805 2102865.269 3882476.529 3258604.4 2537760.525 2401450.211 3046097.146 2072985.469 2958704.939 2643313.089 2851007.633 2896718.249 2818381 2097705.658 2817575.898 2570278.064 3293003.548 2369095.114 2879510.823 4332126.668 3282247.421 2752484.692 0 0 0 N-Acetylserine_R2 0 0 0 225722.8796 188006.2082 204277.3344 146529.0688 0 0 0 109472.4885 90606.45867 135027.0375 0 207201.3005 113160.7718 0 0 248041.9635 112427.9068 0 0 0 172331.7073 0 0 251767.8888 0 0 0 0 167191.7377 0 0 168237.7467 0 0 116877.4416 235960.2232 151973.7188 247083.9605 0 0 0 0 0 0 0 93390.23435 0 476016.6766 0 91761.56263 117872.64 136412.4962 0 286624.5192 507213.9789 148061.1947 0 159828.7715 0 152324.9435 0 0 320809.0366 0 116002.4168 121526.402 139752.7108 153318.4185 123430.1718 86519.64172 0 160380.7726 98459.60183 136605.3078 0 0 0 0 113329.386 195917.5593 112377.9171 124446.0417 0 0 0 0 0 0 0 0 181505.0668 262800.2648 199930.352 0 0 0 223962.637 175818.6713 62067.16921 232565.7688 127768.109 124774.1375 0 161865.6676 163685.7397 180022.0991 116813.8739 105210.0323 151545.134 0 162870.2953 0 210610.1576 161939.4908 0 366104.7136 92429.59912 148662.6885 110177.5693 266436.3048 75948.65957 208362.0627 85241.95173 138222.8485 268601.7416 220943.0191 137401.8512 0 215040.0244 0 339256.7525 0 204301.814 0 182374.512 280692.7159 185178.3107 244487.2741 213742.9074 209794.8398 153202.3678 0 0 0 0 0 195398.0116 131274.873 204790.5318 208891.4407 142312.3634 117964.2748 0 0 0 134697.6763 99829.73428 0 129846.4991 105557.9527 163873.4801 104599.5564 65012.2329 0 136369.6113 237241.805 75307.07415 0 354006.8815 198491.3874 0 141524.3533 0 0 0 0 0 0 176807.3627 238263.9584 183679.1529 159453.5945 163626.9335 109842.7809 124211.7421 0 109828.2237 214085.4035 0 327403.6038 89106.26645 216971.0423 259006.7091 93322.24165 313163.2472 133085.2913 0 98236.75138 136846.1115 150324.3382 79852.37347 0 0 290919.5388 158790.3964 0 126578.3509 0 0 0 131127.6522 245299.7726 47448.04086 0 0 161406.7539 0 0 0 129683.8907 96247.33425 0 209154.7571 176703.3986 0 0 0 0 0 N-Acetylputrescine_R2 0 0 0 892259.3352 869739.6198 890158.9403 747386.2395 747349.0895 924124.9279 928214.6507 541034.8388 1093731.4 655603.1683 757001.6793 1039342.854 923477.3998 1810442.588 855506.9412 1561486.868 862308.133 958493.3202 333589.5573 977616.8701 1289684.625 815491.3629 1440150.407 1128904.109 514054.3101 665744.2721 677069.0785 804259.9702 715572.2523 858893.0469 445703.136 924177.5886 707576.1227 626621.9956 530206.6904 872455.6125 656756.6455 1297152.279 732491.359 829181.5512 874945.3193 577444.0411 931515.8269 698751.4717 704823.2895 608930.2789 750190.7262 897647.0057 621133.4888 809853.8378 584117.6304 684391.0259 840069.2482 1033118.27 1397699.098 681510.8148 1021720.429 766108.157 967709.6238 938456.2384 587022.7583 651984.4731 836384.8396 762735.4732 649703.2099 1240437.1 1107873.309 960708.6672 546329.2878 516816.1679 574935.5698 946354.1289 565105.7092 681503.9607 609688.8693 766224.1392 564948.5979 627640.5166 688945.1783 575336.0252 770142.6195 599365.0424 717172.85 0 0 0 0 0 0 704549.3668 711618.4 709115.0266 583288.5818 549992.3841 809849.0658 786768.2799 563723.7905 897106.3626 578944.9911 1196792.951 540224.9049 1030570.979 1267196.611 1012702.831 1318958.402 911835.168 763611.2504 744918.3472 740112.9023 957899.236 550290.7474 705471.935 972459.5054 963071.76 1097859.928 875850.4354 729497.9533 505211.3899 722059.3661 872917.5564 520948.8138 839788.1532 534053.9603 577937.4179 694669.1343 1317753.327 555832.0573 604169.5097 1406634.19 674731.929 717062.2075 866186.8138 540420.4337 686839.8268 650685.1863 1053825.357 895398.7362 671620.6339 414645.757 453570.299 526857.0275 701894.102 571116.477 392227.6897 496169.6845 929149.112 772444.9192 567721.1376 808585.1933 599579.3306 572204.9964 642448.1231 705184.8697 665471.4115 459341.1011 567898.0556 663487.1443 670984.8678 1146038.887 483207.1847 593458.5649 519052.0256 490958.5937 505203.2987 779728.7685 1652765.769 279070.0128 624677.0946 965606.3738 742447.3247 518505.9293 825978.4409 0 0 0 0 0 0 784161.243 778192.9371 760206.1772 684221.933 637927.3901 899906.9658 863010.7344 725044.5756 1056011.061 932226.5365 1232557.978 724229.2988 755626.4055 715231.5687 1581407.571 829215.2395 1066739.768 866381.495 800240.8372 1123979.779 993543.9148 1121509.21 714812.8266 551363.2248 747113.6375 981669.8566 959146.6824 658828.2161 581295.9702 813539.3839 608758.5313 703045.9064 888737.9698 780127.5906 534789.3535 693583.7262 761908.8452 510971.3599 1153885.881 718692.4426 793713.8799 706985.3026 540963.9984 569957.6267 564050.0885 1177397.219 528631.4998 716499.4466 0 0 0 Ureidopropionate_R2 0 0 0 77876.38148 78810.92469 75719.14973 93483.71031 84455.59211 83506.77359 86851.85262 65039.5058 91236.28402 64008.99847 51094.40753 79967.15372 67755.02307 110245.2881 48745.58615 87688.04123 100132.1833 94647.06897 84840.46308 81047.97875 177768.7231 75982.54603 70167.53711 77479.53383 55362.86562 79388.63708 76295.82989 84075.63799 87962.41757 76867.43972 52592.63229 266646.0659 47316.27571 77063.43116 69034.25627 99864.14268 66686.48558 92071.83624 76256.7984 73189.10398 89034.49337 85445.78108 85780.66993 51315.1732 49616.53223 65252.26449 60923.86107 101262.6473 203844.7889 65189.83256 66626.56415 87445.23333 84783.07786 72393.22682 132605.9963 97642.04583 73301.73721 78348.09785 95767.30238 58858.28453 37687.58791 66431.90841 84486.17874 66393.38322 64521.38961 57011.77023 155868.4247 87936.9427 69879.20065 49547.70589 55232.49996 53857.91185 62136.61037 61612.04723 77034.89889 76822.23658 49281.92769 56326.00144 43369.77994 31471.4022 66180.03372 81561.97958 66855.92837 0 0 0 0 0 0 71718.74058 72658.56132 74636.43775 77777.13664 75805.27095 81246.86827 77371.44746 54560.53487 152569.3361 50657.21567 79948.10147 81744.66305 61293.468 114691.4482 59099.70989 76275.56933 143395.5793 79755.68032 53791.52147 67948.66881 102019.0736 85530.70349 116461.5677 234243.9293 79394.73233 72409.00439 62252.27297 53634.39022 71327.32314 81456.82474 78343.70408 43842.14182 79553.72407 52937.06376 82811.78717 80303.04585 89763.98879 64049.35421 47360.17184 160447.0803 73458.77284 81141.1239 66308.03322 45688.69667 63836.4854 103438.4213 66533.25028 76948.05264 69305.34828 208823.0729 227675.1769 78490.19346 75202.95046 79295.32074 43956.05545 40621.62601 68648.42122 79809.29503 89045.44775 59104.3501 70447.85839 68696.22049 56390.06866 76293.02846 73647.2798 45634.37019 65797.96236 72221.06434 62108.8705 79779.75581 38832.09565 62929.43593 58553.46945 89509.30983 74271.08544 73917.44378 70837.02285 34228.84069 91118.56187 75658.12068 92855.30677 78723.94347 77306.7285 0 0 0 0 0 0 85563.4688 85462.93149 80266.05433 85624.12768 86162.13158 92605.82512 91260.70269 49140.62509 90873.14411 69002.69696 80771.44092 90635.3422 94560.61405 53956.40727 120376.4717 55212.03215 53328.98991 90211.21928 66326.79424 92622.90988 57141.50914 86582.88252 46171.28976 72990.13307 83117.22556 59617.12858 66126.8986 48713.83665 79003.58651 82429.89929 53763.76371 135603.4094 73525.72275 77776.44013 56002.85373 124316.9252 104074.8396 54164.09768 123525.4506 75503.23374 85100.01023 66041.78624 48270.20172 53083.31178 55366.08092 99605.88457 77121.2054 83884.93469 0 0 0 Asparagine_R2 4281.455457 0 2386.87995 379125.4541 378058.4912 364572.2685 114271.3588 113547.5678 370856.9869 371936.2112 404525.0976 448761.2486 487822.1827 197707.3446 320596.3229 577630.2095 1016658.998 286464.9741 687868.47 339897.1556 426707.316 411361.4014 424703.1331 477385.2406 408738.1974 277658.4884 557231.8916 415203.655 437331.2965 386451.8527 396309.868 112144.6356 337378.8511 459839.6324 309693.4878 193248.8572 241516.1061 583711.466 236632.5319 618160.2882 521513.2221 371995.0695 410743.496 403489.6714 347480.0015 463233.0785 432705.3811 411004.5616 378239.5849 940221.2088 462422.5449 417305.359 637834.4942 177495.4616 106084.753 378584.7144 232026.7402 243414.4234 371574.7303 341581.3717 247130.1965 353142.5351 340022.8 446140.6611 351181.5243 414981.2507 368563.0166 288599.9482 323777.3368 233092.9635 195467.1879 240658.4502 354099.4052 162741.1714 334622.5954 421006.3393 191166.997 91585.47586 368414.1351 329627.7936 250564.7431 363416.2015 770511.8871 349192.2006 94389.8479 357593.3802 5228.318048 5026.092479 0 5600.044118 0 0 313805.3025 313204.2347 308440.5702 80897.49679 81398.04219 383068.6759 363902.3535 363016.8849 281021.9129 349140.6913 585936.5899 407181.1855 313467.2479 551274.3237 273108.0886 582092.2359 278640.2574 368723.1286 214911.1787 360409.7671 425077.7653 300574.5879 247884.0391 262150.2679 347261.864 556483.129 229298.2389 397286.3076 91711.7017 396912.8707 455403.4526 206049.3342 551078.8985 228124.517 356858.0176 770185.1778 636032.213 438915.1857 292030.562 334931.6323 308050.5758 222712.3857 370217.4102 403073.5391 391366.7768 513257.5202 341114.7145 315158.0916 282393.1488 842132.7698 882549.681 93476.37527 396622.9544 480427.8962 333538.8504 693047.1781 505793.3301 232475.7909 277852.0638 331075.8233 287111.8295 248469.5187 566581.4048 376938.6315 620857.2699 532346.8542 264883.5458 256325.5518 381645.0747 278072.6406 555693.4865 648187.9739 263590.6586 497890.4 93688.05482 433711.8278 296137.2341 735132.2806 626425.076 324407.3273 334353.3978 87386.66325 463201.6953 0 0 2145.768536 5222.145619 3387.954706 3375.192934 406783.5172 400994.2997 398840.6979 113974.2105 113095.4397 460901.6526 453589.3263 377189.7431 388500.7632 378013.672 187342.4222 258715.1524 546331.8408 386309.9668 637995.4532 799160.139 536708.8609 476711.9238 763118.4852 405075.3217 277208.8253 658816.889 306759.4453 372626.0055 408364.3017 512576.8679 375895.4449 786996.7377 103550.5885 435002.2526 1035704.312 467473.195 305497.166 284429.2234 317005.2248 439167.4075 416478.3667 397224.1672 352357.4416 457715.3625 444133.445 246864.0935 312141.4873 261101.9504 428858.7838 490279.5692 93004.03757 426090.9157 0 3213.29314 0 3-Hydroxyanthranilic acid_R2 0 0 0 0 0 0 0 0 0 0 143961.886 139157.0631 179218.2962 0 0 219641.3444 0 98821.75894 0 0 0 267679.377 0 185278.4237 0 0 0 336693.5518 267633.1682 292368.2114 0 0 0 0 0 0 94904.40094 193210.1407 0 165780.7509 0 0 0 0 0 0 79087.99282 0 461053.924 0 142950.5947 135926.7336 0 0 0 0 0 0 0 0 0 0 0 289848.4827 118816.7634 101542.0087 0 0 0 0 0 167520.439 0 0 0 0 0 0 0 0 144784.8836 0 186214.0342 0 0 0 0 0 0 0 0 0 0 126941.4186 0 0 0 0 154962.8108 0 221900.4275 0 0 0 0 0 0 0 234417.5144 0 184774.8217 0 0 151910.326 0 0 0 0 0 329981.2315 0 0 0 229716.1631 0 135847.3399 169721.8754 0 0 575076.4554 0 339415.1259 0 0 136138.2827 260811.6276 0 211573.645 0 97413.89099 0 162255.223 164091.8706 0 0 411716.6835 0 0 221842.8199 0 162431.349 249190.0424 0 0 181589.8261 0 0 0 0 0 0 99994.45765 153622.3281 215418.5486 186469.5339 181287.2229 0 0 0 166533.6629 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 108922.0315 0 419059.5828 0 0 150868.7923 0 0 0 0 0 0 133275.4732 217583.099 127284.0133 0 0 0 89050.02756 0 0 111671.3308 0 0 0 0 0 0 0 166174.0446 0 0 0 0 0 0 0 0 3-Amino-4-Hydroxybenzoate_R2 0 0 0 240831.7415 228144.4372 243898.8197 161705.6408 148690.7264 155491.3233 159163.8744 89859.09668 143480.6079 126262.8463 52603.36461 232920.1102 149485.9933 227753.3765 190536.2427 192960.2018 120241.9388 160630.5675 154965.7935 192865.6394 190070.1526 115916.9799 252481.8661 202990.9662 254316.0153 186463.4341 164968.8012 79252.52866 158862.3096 161019.2249 142951.0171 175342.3419 51900.8811 123194.7753 160671.7893 295787.0622 309375.3772 86410.89717 74856.56376 104275.3819 166745.0848 99562.21537 66678.22162 33604.40704 63668.43632 178108.195 88129.14295 117971.9589 118688.6058 123866.3658 182315.7986 159763.126 166893.438 152298.687 254577.3714 136504.3506 112870.9663 128997.6215 158226.4759 131841.4636 177101.7429 108855.7621 106525.2088 147861.3996 95071.84123 122520.4093 143771.3081 174093.1355 164881.1118 85229.47431 222916.8917 116630.4787 63079.54945 224865.1684 133244.2761 134528.2865 128706.5998 101969.2806 102338.447 73653.7759 131687.151 128158.108 126353.7976 0 0 0 0 0 0 219986.6585 233103.7391 224504.7132 150200.8872 140976.7518 176984.9351 167912.2249 305585.4746 421613.8237 179257.2884 179709.0639 259068.7108 136501.0092 159575.2179 130776.4566 152338.8773 421362.3956 158886.532 213451.7 121799.5457 74750.51798 113244.5178 214350.754 190995.4423 118940.3651 166502.4402 104067.3233 133927.6096 141259.9203 153536.4523 260394.4081 146465.9714 179338.3229 151334.9768 133602.0613 172868.6164 190191.4377 288496.7606 129807.6919 215643.06 154254.7976 79456.95984 298656.4788 201909.5427 138801.1872 357942.8718 120666.4006 156987.0543 154827.0222 120271.7725 128429.2959 147662.7984 160392.5594 142141.3787 115911.4441 66527.72019 105831.2192 140012.0297 193164.7863 308704.2188 132050.9696 132091.2966 151484.3942 145575.5042 105410.6592 114608.7594 197683.3453 139342.3903 71486.06179 97760.3096 81707.11907 142435.3402 118075.788 130087.0604 133747.0187 159204.8825 61144.28021 180421.0397 125658.7069 113767.653 197405.6359 149479.9828 162829.719 0 0 0 0 0 0 194887.662 211621.6862 190028.3423 138591.533 137972.1352 149222.4402 135019.1279 95544.86761 125530.1426 120297.7557 147092.5316 237042.5193 131996.1785 144366.2904 203085.5251 212595.7607 312458.796 134879.0112 35449.60237 130301.2016 200676.7193 106790.5617 193335.6728 134760.4931 91709.39852 304092.0262 357965.5059 73063.26837 128858.8799 137795.6732 97527.00881 106784.6513 162817.1199 138746.6942 78708.12406 113511.3156 68394.06896 84822.97183 228152.4498 180929.1149 146086.8281 126343.4498 210248.1514 72364.33957 90911.89104 204380.9376 128160.3554 133259.6534 0 0 0 Adenine_R2 0 0 0 335241.1628 334108.7431 335218.1327 132418.6947 129189.0053 288839.4369 279239.5077 194541.7657 270933.9717 252057.6427 171253.427 333762.6641 242381.0522 200343.8581 161301.1833 277676.9407 158768.6471 250644.2929 181351.0282 335544.8134 300162.4891 186475.4721 337129.7044 411723.7348 197193.0899 207284.2802 159911.5809 368507.3014 112541.4823 245141.2952 208123.7963 308905.9424 167618.44 147917.8602 92804.30537 252370.9763 151308.1148 308588.4351 339649.8504 181293.4748 261852.1951 213930.7578 166456.6911 137064.1805 165044.3125 191955.4301 247673.0855 191469.9601 251965.9229 187592.8735 185915.6978 115883.3109 236702.32 270163.1922 292910.7006 166497.8349 170898.2038 121232.4139 278131.5239 263687.0682 168860.3107 191881.9954 192491.7881 206511.2186 204401.6455 257800.9005 270640.0414 228338.0689 108781.2438 133258.8841 199941.5618 243010.1487 157016.6151 232962.2502 100076.7104 194037.5144 210503.9253 171404.657 186023.3618 147183.7167 203583.7877 92575.24536 205354.0974 0 0 0 0 0 0 240200.4452 248965.005 238427.2396 99664.15977 96675.78689 217264.4327 220524.1916 169575.8069 222949.801 211022.4437 355986.2905 208342.955 171742.3034 235204.5997 203375.4254 310655.032 249439.1296 185029.196 169579.5448 209448.5762 205671.1234 169923.1924 137843.8476 233262.9532 274740.6215 278671.3105 301375.664 155495.5295 83521.43414 184071.6766 159396.4883 162728.7336 195910.6647 184988.3908 174385.5491 178707.547 254727.4086 141319.8007 182777.4118 350935.5769 174658.0067 263558.2408 268614.2754 138443.0541 175022.6289 170212.9296 312011.5097 215629.5625 206499.2788 181001.0485 205669.0113 0 187512.8042 282430.2136 91969.10971 112741.9922 143157.0842 217906.7109 173096.3236 276594.396 168273.368 183712.2428 136220.378 170157.0026 184285.0711 156923.5758 143007.3374 148994.9671 113699.7165 114519.3692 111105.5854 146366.5817 142599.9924 119077.1481 61823.71327 166825.8772 189570.3671 123415.4574 189907.2534 216220.3873 210240.1922 66028.70181 176899.5521 0 0 0 0 0 0 204757.902 203090.4577 210129.4002 85568.53269 83420.42066 209682.8398 176975.9636 264864.2643 243938.6344 199591.4777 261205.5356 209861.7038 211620.8375 211438.7933 347652.8865 159715.0948 224487.2537 193010.6909 145208.3732 252472.2173 358298.296 293380.7538 170209.4415 147404.8058 191031.4928 248806.9463 160131.5887 205216.6983 79472.83522 191562.426 145691.0637 154199.231 252587.243 229670.7409 118815.2647 178394.584 153765.3386 130336.9876 268611.2964 130394.6456 157503.8638 122672.7699 140465.7192 126648.214 122167.1248 245473.1702 62270.22409 155053.8673 0 0 0 Aminocaproate_R2 0 0 0 904287.6295 866321.7639 911273.4884 491251.6409 568096.9075 899613.5914 891070.9462 636000.0204 970458.7915 1168532.871 241891.7502 575581.1131 1077823.469 2306995.458 459331.8754 1048494.51 606465.2089 852487.6998 640546.0758 552711.3169 1160046.508 933738.9326 641206.5689 1895004.537 1120988.401 900590.5196 594635.0164 890489.1192 729203.6033 861092.4659 770118.6833 924156.6881 216692.3927 427556.2851 522175.4891 883032.0961 1054315.48 977949.1102 773849.3814 701391.411 838323.2858 551311.7852 577689.3177 429261.4134 655004.2013 719144.2493 1020484.678 1029376.973 716099.3688 846399.6226 353807.3913 518406.2544 911842.9424 568984.2816 965081.9058 667427.0858 393842.8162 685012.1926 1001645.309 543390.5189 1011980.075 775872.5812 975266.2154 837061.04 513782.6231 689362.3905 515954.5924 411058.9988 710263.8657 525760.2962 789790.8336 390250.5423 697161.8653 608590.0414 445752.3526 684318.3814 597446.0623 554821.3067 660708.7343 952259.5759 724456.8036 421953.5584 822188.8577 0 0 0 0 0 0 933911.3891 827512.8183 812712.1285 554431.2131 516622.9158 943998.4514 958137.2096 836050.2277 697239.6455 742678.3798 1095366.401 2224159.262 787164.1945 1223935.015 492199.0662 1117792.549 682906.0188 837507.1303 905239.8918 1272521.584 1728048.272 782572.5683 601063.3031 749608.4504 617575.295 1028915.998 577344.5218 836815.7434 675283.751 863639.4811 1063560.447 437010.3101 1244203.276 500099.5038 633678.1705 1195482.887 1427354.707 725729.376 479435.3351 1284605.286 816407.0654 392417.5914 895570.6724 1260655.396 626048.6302 813626.6523 628267.9522 1005066.357 690948.6138 1150437.761 1223039.645 522054.5359 809832.1868 1341553.28 579635.0573 622566.3314 1034893.974 481859.9989 653845.0481 889183.4416 549096.478 564947.0103 1037356.087 822541.8635 1050518.717 750462.1383 944261.9331 546926.1675 704071.3036 417498.1633 703982.2797 1681722.17 499270.7096 714553.217 436887.3655 848867.4209 1086940.034 480788.3833 1650852.108 554769.649 942917.2998 585177.7105 858042.3263 0 0 0 0 0 0 709675.1374 736582.5569 744200.4516 506487.7198 435783.8468 807606.6069 763529.0283 570273.9828 1243759.952 800010.1836 453141.3371 1112122.108 781379.4271 796965.8192 1879040.318 1041950.189 1306467.149 736630.4594 854612.3382 1316442.978 543597.2927 858858.0312 364649.3612 719365.9988 471695.5657 1220053.263 924421.5805 1435957.978 600241.8945 758292.56 977643.7628 509683.7332 674624.7946 1303782.241 309375.09 549031.5258 684060.6581 480233.4261 758442.6495 734841.6464 768332.9497 288925.9136 858863.3324 324773.058 435178.967 983449.9239 416345.4292 697288.1657 0 0 0 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214592.7523 146704.8249 240040.8203 267965.5096 155051.8591 215044.5585 235408.699 244926.549 203094.3899 225600.3072 248029.1864 7419.443918 231298.0472 347555.7331 198249.9261 205750.5748 233930.2717 132476.6186 64250.37156 159111.889 129076.8642 134347.3362 178961.8582 82239.6894 81094.85011 176937.8779 83318.612 113061.5216 65485.4982 71231.21905 222175.7612 239165.1733 88577.56094 73541.14883 0 93006.8081 74152.74676 172508.7976 95129.60955 123570.6478 130479.291 0 84228.93164 0 0 0 0 0 0 228288.9423 246368.0993 239437.3793 0 0 265854.4217 246742.2894 228040.2405 314152.8726 259065.1163 0 245045.3766 216672.7663 257339.2975 297022.9483 221978.8552 229775.9825 257255.6967 258272.3317 276718.3757 190311.7114 404035.5812 214672.28 206035.8861 262661.4457 195734.0575 295345.5473 316024.7618 0 256257.5191 188414.9678 381066.803 236524.5822 206377.1498 148220.5986 392543.5003 315240.1771 243338.1108 296975.0939 316505.1228 240823.3648 167922.6586 188824.5538 156035.8309 239408.1079 225051.7617 0 245432.8182 0 0 0 3-Methoxytyramine_R2 0 0 0 0 0 0 0 40633.11868 40219.32556 35416.47787 0 0 0 0 0 0 0 0 0 0 40372.65529 0 142593.4468 0 0 0 0 0 0 0 0 39369.61725 31973.88956 0 0 0 0 0 0 0 0 0 0 42299.7096 31079.34929 0 0 298595.3061 0 0 0 0 109210.2351 0 40576.60184 0 0 0 0 0 0 14408.50839 0 0 0 0 36281.56967 0 0 0 0 0 0 0 0 0 0 31405.52931 27957.11805 0 0 0 0 0 32858.77373 26311.6241 0 0 0 0 0 0 0 0 0 36911.99536 32171.97788 35191.13185 39193.33884 0 0 0 0 0 0 0 1349972.846 0 0 33779.12734 0 0 0 0 0 0 0 0 97843.34092 0 30739.97733 29732.80073 0 0 0 0 0 0 0 0 155664.4428 0 20970.12037 0 0 0 0 0 0 0 0 0 0 26193.95369 25550.25305 0 0 0 0 0 0 0 0 0 0 32153.93659 179552.0037 0 0 168337.5586 0 0 314254.281 0 0 0 25620.29759 28204.32536 0 0 10201.29859 0 0 20093.86603 31877.12841 0 0 0 0 0 0 0 0 0 35022.0729 21351.5767 34531.57919 30434.10619 0 0 0 0 0 0 0 60029.83053 0 0 29752.53766 0 0 0 0 169488.513 0 0 0 0 0 27578.44421 35477.63513 0 0 0 0 0 0 0 0 45759.81029 0 30562.35398 0 0 219067.2722 0 0 22162.01828 27688.98132 0 0 0 Guanine_R2 0 0 0 0 0 0 46699.52808 106541.111 0 0 0 0 0 0 93402.24662 0 0 18858.91895 62581.74115 0 0 91355.46526 0 0 0 0 82933.67801 0 0 0 0 106094.8805 0 0 0 0 0 0 80542.42539 34087.79831 0 0 43265.54543 0 0 99798.20432 77739.7897 99732.99419 0 0 47973.6301 0 0 0 111308.4421 0 0 77234.88121 0 53244.80722 59284.84656 0 0 0 50280.83827 45312.10037 0 0 0 0 83682.65776 76203.06883 0 0 0 0 91213.92932 42517.40377 0 0 0 0 0 0 78056.47977 0 0 0 0 0 0 0 0 0 0 94185.88203 88705.1647 0 0 0 68304.75807 0 0 0 158741.2621 105275.21 53531.87775 109113.6542 62935.7654 0 198196.9329 0 0 0 0 297305.0846 0 86096.90177 94971.1071 0 96516.96827 0 69558.328 0 85216.28897 107244.7363 0 64800.45755 0 0 0 114397.4677 0 0 97381.77766 0 50157.30098 44086.08068 61255.13149 111695.2801 47468.55585 0 0 45356.23537 69758.02763 0 0 0 50426.19476 81575.94993 0 94964.15829 68995.19022 39787.90626 0 0 0 87811.80537 42720.44017 0 0 105943.7447 0 74009.12035 111622.3437 0 40268.36359 0 66021.50515 0 87287.11017 0 0 89607.10005 71165.11476 0 0 0 0 0 0 0 0 56594.06924 86785.73816 83762.48329 70024.67856 75291.95553 0 0 92918.17698 0 71644.30903 0 0 110574.3645 0 53387.46607 59174.46064 66639.54221 0 0 0 49280.63123 0 112876.2851 54750.10942 0 78446.56706 78602.73979 0 0 0 97533.53131 68079.68461 0 0 0 0 0 56690.28248 54728.34024 36319.29765 58008.20356 0 0 63412.5573 78219.19006 0 0 0 0 Xanthine_R2 0 0 0 1523602.23 1456400.943 1525476.108 1468007.511 1409587.88 2114655.479 2076380.843 2687431.567 2689264.106 1459477.134 1619344.407 2486512.931 2383037.909 1487375.397 593619.4679 1633499.361 3062081.08 2112790.073 2493808.71 2185383.71 3994896.093 2450813.717 2923923.233 1460841.919 1282098.098 1568108.574 2120540.493 3941578.414 1427251.851 2044490.778 1106907.816 3261030.154 1506493.699 1695794.539 1292440.513 2290087.704 484325.3644 2863836.131 3538908.221 1460158.582 2067692.605 3670938.368 2025383.161 1832571.704 2241055.293 1512749.137 1911937.725 1343010.49 3635880.669 2371357.747 2078364.377 1441812.062 2148120.691 1866338.142 1683367.019 1600854.225 2192046.005 1962345.265 5190239.672 2517907.992 1217428.503 1298526.486 1400577.176 1835608.906 2123702.665 2307876.493 2542606.579 1119210.753 1703467.849 2507838.435 1595622.953 2420762.241 2334873.871 2475638.934 1276469.456 1760669.794 1756471.435 1495994.032 2461276.015 848003.56 2164221.898 1240214.798 1739311.108 0 0 0 0 0 0 1327872.738 1304698.748 1289987.21 1254353.564 1192721.837 2001964.089 2147754.614 1476721.704 2173396.091 1736286.08 1995129.354 2458907.485 3790472.137 2407913.543 1130883.788 2004013.626 2279251.546 1770314.685 3163696.323 4074717.716 3181889.199 1427049.05 3042705.331 1859610.856 1539137.818 1995415.886 1961069.11 2051872.32 1086390.392 1769813.631 1188203.146 1303224.961 1854818.113 1631652.463 769777.4611 1509618.964 3735965.458 1073884.89 1577567.164 1544100.354 1628196.955 2930015.721 1634184.758 1652252.663 1279068.791 735168.8726 1042095.647 3170898.81 1246762.553 1000259.567 976678.4691 1082778.749 1747170.042 954107.1968 1482440.027 2220479.745 1451856.499 1562693.837 2527061.845 1733883.284 1348513.327 1111231.733 1325107.396 1696659.95 1747255.924 1610219.63 1291423.766 1995995.247 1499322.341 2753228.965 834547.3088 1563660.102 2330227.965 1520626.317 1040261.862 1741153.954 1494329.27 686337.6765 1168189.726 3510431.127 2293857.952 1098183.254 1944397.565 0 0 0 0 0 0 1197005.83 1271994.095 1261985.27 1366791.721 1275297.528 2066391.912 2011088.037 1435975.177 1512135.53 2366884.551 2798227.251 1258903.972 3075925.881 1337595.377 2953168.918 1636568.15 1364339.171 2051479.791 1847293.959 1543491.425 2878199.096 3067008.13 2099871.038 1586538.524 1531517.815 1497680.665 1339223.098 1763472.224 1151293.197 1978380.227 1646948.083 1985049.262 2026398.558 1756115.557 1775126.67 1921988.506 856674.0543 1677708.266 5012669.912 1596075.933 1649058.586 768538.7159 1505041.913 1044213.302 1707376.81 986981.2141 1100232.842 1684530.563 0 0 0 3-Amino-5-Hydroxybenzoate_R2 0 0 0 36549.65169 38694.17237 32473.62362 62134.7599 64884.16201 16808.85293 9955.515891 0 0 3898.606504 0 0 0 0 0 175789.2689 0 20448.25034 3485.937363 0 0 0 0 0 0 0 0 0 67740.70508 14952.36387 0 0 0 0 0 0 0 0 0 0 20764.00327 0 19927.10322 0 0 0 2709.056097 0 0 0 0 71419.07133 20264.9754 0 249104.1363 0 135104.1648 3192.497799 0 0 0 0 0 16169.01032 3941.408795 0 0 0 240378.6651 0 0 0 0 0 58171.48736 15248.41234 0 0 0 0 0 63552.86045 15349.98042 0 0 0 0 0 0 25645.42229 25851.10763 27828.22489 58646.77277 52272.01015 15753.30687 15612.91042 0 0 0 0 0 0 0 0 369095.5492 0 12268.19004 0 0 0 0 0 0 0 0 0 0 54583.31468 14151.57378 407016.3747 0 39570.90312 0 0 22329.05159 0 0 65903.98843 0 13601.13516 3470.303433 0 0 0 0 18024.08355 0 0 0 7770.932768 52973.87184 9352.548608 0 8984.706661 40981.71702 0 7673.032817 0 0 0 0 7950.787983 9271.183257 0 0 0 0 0 0 0 0 0 0 44575.08332 9942.706124 0 0 0 23695.05225 0 49395.80611 12720.97413 0 0 0 0 0 0 26158.68468 22292.55132 29075.73463 56143.31164 56346.98366 13256.33749 10018.4321 0 0 0 0 0 0 0 0 1892.869633 0 9879.389131 0 0 0 0 0 0 0 0 0 0 50329.17588 13055.39715 0 0 0 0 0 0 0 0 0 0 12234.48704 0 0 0 0 30761.10805 49679.63944 11886.3832 0 0 0 Octopamine_R2 0 0 0 20143.04783 14756.25646 24804.49615 0 11336.61305 17686.33593 20430.03949 0 15525.22519 9003.37461 0 32748.53354 17739.10401 15803.24004 0 29790.66363 0 15276.95703 0 15831.1739 25458.46757 0 25442.06141 24167.84461 8101.676403 13186.6905 0 19112.68221 10087.32832 13421.7028 0 25985.71016 0 10192.80828 0 19209.40994 0 35103.00851 17280.22548 24049.55847 14794.48667 0 24038.27088 10258.02355 0 0 14443.68863 0 14504.94574 15099.02273 0 0 11356.46865 17350.53226 45542.46083 13216.98992 29092.90664 0 17368.49164 6776.761006 0 13806.65089 11895.30312 13388.14033 0 18531.53608 0 19984.903 0 0 10629.07748 0 0 0 0 13956.40495 0 12248.43811 15554.26762 0 0 0 8343.084032 0 0 0 0 0 0 10811.71219 0 14743.10536 0 7371.181343 14175.21749 12111.88363 0 15140.34753 0 12151.63492 22459.8901 0 0 0 11129.5609 14582.74601 9793.781001 0 0 0 0 0 5926.652171 0 14054.52874 33484.10501 0 7986.984693 0 10376.43291 0 0 0 8293.605324 9323.561924 37010.35521 0 12660.46105 23553.20489 0 0 21823.92051 0 18217.82474 13416.20395 27507.3043 22883.86669 20213.66104 0 16319.85732 0 0 0 0 0 15777.7911 17432.06439 0 17577.94097 0 16224.2489 0 0 12420.35122 0 0 12437.2906 0 0 0 0 0 0 0 0 0 7790.036578 0 0 0 0 13237.17083 0 0 0 0 0 0 18482.61554 15282.6435 14000.33268 15170.26991 11642.64871 15434.66555 11836.28188 5445.853064 0 16790.03835 24596.26607 17410.64516 15606.71129 25466.05963 25020.97092 0 20241.73232 14171.11496 0 0 0 23691.59798 8134.476283 8174.253943 0 19608.63189 0 0 10052.49124 12925.37913 0 0 23987.47208 21760.97663 0 0 15923.3301 0 10692.583 9297.97624 0 15911.42168 14684.43835 0 6243.294663 23709.24749 0 8964.323378 0 0 0 L-Histidine_R2 249916.1556 138345.7013 95038.60062 6829392.26 6560859.225 6918662.119 7625936.473 7392987.001 13169508.01 13457970.56 15085322.27 19004663.11 20921550 6476747.786 7800910.763 24673575.48 14551361.78 3800795.645 6043205.516 14982258.54 14315262.3 15510471.07 17107789.09 13766895.52 19568884.8 16016265.73 8117735.988 24460284.85 15079042.11 14281935.5 25706922.7 7739655.868 11330789.46 7091345.566 17675152.5 5881618.862 12003900.98 17858488.2 2194138.694 4153457.94 31501570.92 22004480.67 4265733.377 13430824.59 17140573.33 10448250.9 12778120.76 17858681.92 14808680.41 24556028.24 8185199.257 20022446.06 25402920.02 2714938.054 6605910.467 12802307.84 3378857.64 3353866.373 6109296.648 4054390.285 3718657.717 18242220.61 9722480.87 15512534.48 5712976.648 7198238.486 11409680.52 7113059.91 7111544.882 3349265.609 1718768.624 5211583.7 11788035.61 4434458.807 8818477.831 13641870.32 4538420.488 5839448.714 11896163.7 10292434.55 5454013.957 5516880.566 24447518.23 11074828.46 5955673.001 11860279.66 181487.824 101753.5347 81228.47956 300172.6451 140924.7352 104117.8932 6023915.599 6158552.933 6117738.402 6375372.723 5860251.005 13962440.97 14015794.15 3276778.147 2852846.882 12567634.82 15449255.65 19931979.34 14000276.59 27247797.54 5939818.406 19870745.21 3070233.161 14544360.93 15869345.43 9633032.542 20633338.63 5416971.343 13725497.75 6165358.934 11329766.47 14373813.91 15401756.07 14207847.27 6012226.779 14020737.84 7056364.943 7381808.295 13112542.4 11341611.25 3784584.989 17936987.6 23365403.39 18230955.8 16849918.17 6453127.346 10200609.77 4578610.448 10145140.27 17408870.43 5732613.337 6162728.64 5256078.127 11255221.21 3976356.709 13701351.87 15427821.33 5582847.466 13186748.24 18824646.62 7012757.747 16904445.57 18567209.36 7409311.928 11988094.56 8004955.02 3935051.713 3142840.285 10667621.87 11936341.31 18990861 20953498.31 5829969.293 7669873.016 15674753.51 13101963.89 15671842.94 21351798.24 9741880.487 22715849.74 5173866.317 14182164.25 4572449.098 4283951.098 27682605.3 3697906.802 6701663.403 5265689.161 14867285.98 184274.218 112842.1782 93139.41679 297301.8503 152336.5206 108326.1221 6697747.294 6895006.467 6891958.666 7760066.92 7327632.673 15522905.87 14973476.78 11281099.2 15603383.43 7491767.683 5182585.25 5613514.026 12746433.55 4414624.443 11074281.49 19834471.16 6830198.151 16094495.76 12845211.12 16152257.12 13513806.51 19842331.18 9045097.28 15777650.57 18734937.22 7022898.4 4430780.849 8066363.677 6958152.061 14550159.26 32603784.36 8941960.071 7287603.035 5328224.409 10140165.81 8496100.929 18959860.22 14217126.68 17968481.77 9336492.626 14076514.78 3878476.506 10160421.46 5821800.474 14349729.24 4327593.175 6928042.441 15511643.78 204622.3206 107367.0132 101992.189 N-Acetylproline_R2 0 0 0 75369.70144 73463.32934 77174.13253 0 84541.28771 78783.45013 83748.47767 26586.23448 43242.18994 86134.58127 34723.75647 56070.88804 0 0 0 0 33324.77519 83048.13993 192919.7494 0 0 217349.5247 75199.6518 46952.16914 0 270535.4783 119341.7075 35629.6351 78852.84651 80916.80791 35378.42021 133638.1352 59542.50253 114659.2777 122815.1202 40012.84264 214975.3572 45790.94228 32851.07228 122054.0112 86851.70034 235496.3556 46450.93172 49358.39715 168696.1427 332622.8748 94674.12569 70713.37543 113824.4922 235471.4391 0 91536.72774 87511.71869 118013.5056 83494.26035 77899.3657 67162.18425 0 141194.9847 132861.7455 0 67965.29319 62411.13952 81077.10236 85161.90443 140228.1611 34092.23748 222015.6446 150239.731 0 112743.724 122957.5312 62788.21879 45789.47288 0 83283.44341 160377.644 50908.34654 51666.28313 26459.76637 141363.7146 0 71762.91226 0 0 0 0 0 0 64954.52506 63149.65916 62229.94719 63854.48583 0 83826.50976 74779.90068 78798.39844 57554.39452 164583.6149 0 0 41256.42821 48060.2919 121387.3577 255607.7567 57219.22403 76076.98806 32518.36381 24559.46031 59630.63109 40126.14123 27729.24891 155036.7929 100045.3702 0 54353.7237 0 74145.47904 83039.54892 38337.24102 84776.09296 0 25155.85465 133121.0493 33097.72226 166386.2134 67104.30074 156698.7221 479889.4866 74040.45817 142250.5352 114158.5124 62124.44596 0 152306.1389 117005.2227 90835.02262 92817.40629 0 81419.27926 69907.51357 82213.89961 0 48550.66403 77032.00638 350576.5404 64571.67197 117522.715 110703.5082 316982.1818 85102.47044 61073.83876 80799.89468 83169.14134 67759.29676 71495.30003 122497.2049 33049.92895 135857.165 95761.90091 0 26739.47116 0 72400.85632 87011.9914 86747.05353 0 67534.66588 74579.16468 72724.81268 74755.53044 88294.16424 0 0 0 0 0 0 72731.53278 66315.50135 70320.84951 85429.06918 76761.22808 85725.91367 83447.40167 145844.6558 100227.9969 78568.51683 48248.6273 47649.31444 46810.57579 0 67957.87239 0 65568.42776 80900.26774 61690.02445 109307.0438 0 174787.0641 167696.1412 62588.31608 41439.438 100543.509 0 49222.76456 0 70556.33997 144296.3427 0 185271.761 0 76414.02173 0 0 51643.7592 0 31276.01833 70507.70735 0 134805.8895 59257.31838 46931.56335 62565.67091 63202.0459 71066.24944 0 0 0 Allantoin_R2 0 0 0 44185.23852 44821.95544 40622.60649 41422.6969 43564.73661 40137.50047 34602.567 27560.49473 24919.74295 157032.502 30426.09951 67517.95624 44370.87706 225975.1362 15908.08024 46357.51193 42173.0102 38844.45523 28894.5696 90988.36797 38868.7845 48713.49511 29884.5037 23692.1476 80343.04768 185263.4208 28552.32074 31254.56532 40069.05667 37103.65095 27390.92864 11642.92126 25918.83529 16798.77413 35473.21323 33481.88306 158738.2349 41793.35924 27854.13435 96688.53221 36813.32017 11537.13082 14152.30013 22090.72025 39795.54559 55546.46707 55928.88012 45613.70248 7847.341296 38844.98728 14688.16733 39126.5303 33404.95098 98809.29635 94594.95183 40571.33738 56699.88142 10486.88497 37010.92418 36737.70412 43618.89426 121044.5849 42798.83913 34900.81579 16896.47556 34904.47596 13130.39759 163345.2273 11018.92852 17399.84408 36732.49897 45062.40052 25914.19778 38708.60168 36341.04868 32819.70649 44683.9169 72803.43323 48492.97961 158186.599 31878.9483 35739.66171 33610.93892 0 0 0 0 0 0 35142.01547 36050.63364 32873.45558 34782.82266 36779.8049 35810.30116 38198.30637 37421.64667 49758.67544 38693.37741 16312.17746 22368.966 32566.64173 76350.51963 17035.5045 47272.41726 47768.0708 36824.72719 17457.88535 6348.908378 42294.04774 24837.99015 35009.55192 27777.76508 104924.5708 16324.3801 31009.01298 36484.00796 35222.22827 34648.2973 47973.74372 51411.03553 24253.74612 22491.71951 34507.66293 34929.07911 50643.03596 47584.63433 115761.124 246315.1231 34620.76345 42767.52309 92865.11395 36526.85622 23839.66216 105069.2 113581.0736 95713.1775 38481.92321 184569.5877 170343.6061 36825.33552 37729.86931 75370.62678 29845.78956 12215.6618 41123.47132 8407.79149 24499.3862 94917.49892 30069.10031 41117.19781 67598.50707 34554.82029 40919.91846 48574.46933 66729.60433 31305.16169 115412.1768 32902.11709 34148.21611 37043.36216 28754.2323 30743.14749 42469.82679 41607.25331 23356.44986 82910.48287 30605.99196 45784.7513 52823.86027 40991.06606 42111.6273 0 0 0 0 0 0 42062.02136 38908.40582 38739.82511 39267.16765 35303.36073 38228.2165 36738.70531 37348.3944 61909.44821 22947.45761 226024.6431 71711.918 38195.51434 49639.43025 20989.08964 34298.39011 29316.28146 39221.36791 78876.20855 67961.63843 32327.26285 23257.63732 25300.21242 26960.92296 53664.67204 27661.10686 18510.75793 48097.88055 35982.28576 35200.72302 32349.02556 26542.60316 42156.38796 65562.16508 31356.94145 26757.03127 48327.39271 20967.11817 29741.95769 35391.28739 38516.86804 50916.38658 32606.6082 45892.53249 19882.49354 37938.5982 36629.99163 38269.97896 0 0 0 6-Hydroxynicotinate_R2 0 0 0 119136.7066 137297.2717 165455.6038 114090.106 131852.4902 63396.37611 47508.93639 18710.10603 136063.4407 0 0 84480.90412 151341.383 122099.6758 21084.79118 77769.00002 0 50784.4578 72154.1914 81965.36294 96706.10834 68323.06219 44841.56335 28575.11956 53661.41615 44286.80055 51102.87643 0 118990.0652 49244.31962 80859.98606 27920.32862 0 64802.19441 56636.10024 61289.0343 45051.0138 0 0 23286.40287 60071.81622 66671.89564 229285.7577 58017.53899 60975.7155 0 156222.4388 61370.89543 77910.23536 51922.39328 122560.3176 168090.0719 48566.93523 55389.03448 69025.87617 45564.27644 122699.6122 40508.06719 113605.2829 51219.31711 28933.0251 0 55692.27959 72182.56902 109724.492 24575.83179 38395.61708 73737.87284 0 53861.0555 43304.0464 38598.20984 35530.08696 29917.02881 99499.57286 70562.96714 0 42776.01607 297664.591 0 60701.97933 94911.53484 39569.0408 0 0 0 0 0 0 115946.0715 134987.8231 103293.9824 136994.6032 87881.91626 44357.75671 49694.74912 75552.28683 53533.0519 0 117820.8345 36246.43323 42791.75024 0 91853.69574 0 66996.72441 48599.51763 17041.63095 60064.98536 32284.15952 68137.15219 70112.20476 37249.84183 49464.34913 135249.7229 27708.39027 0 139784.2099 51162.94154 36293.5047 42804.40956 30900.68832 47453.77755 46880.9116 37266.73044 72493.83446 25166.89804 0 0 39875.50744 23614.30699 0 55741.97969 0 39704.74635 0 46466.07463 50679.59122 25249.0272 17935.18652 143675.8992 53611.99871 48264.13058 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53700.22374 314747.7347 110979.0671 149495.9604 61930.41706 80069.07435 359087.6043 157624.9948 191824.9347 120702.8921 153489.7272 0 0 0 0 0 0 102295.7413 101404.397 98436.93147 137764.3112 140038.2648 172888.4822 168844.3015 210564.6747 225798.8929 269626.2478 162613.5162 90078.91898 269738.7963 309404.7845 247100.3042 229991.6911 143948.752 174262.5506 54139.44988 241263.3247 56523.35614 280386.0373 77137.76716 74515.3943 156410.871 136833.9596 60317.07503 124996.0582 140336.3803 166148.663 241592.6941 303596.701 226436.89 206676.928 80899.48348 299779.1019 86355.85043 323011.0239 275334.7994 244188.2969 162485.5313 69094.85212 70543.86561 70663.04742 350374.5919 133055.3984 139507.7097 182501.9177 0 0 0 L-Arginine_R2 0 5153.916505 5717.304515 62011.53243 55172.23759 62737.69074 20855.33496 21885.49878 45329.29571 45040.14172 53371.95439 67194.12194 29938.41712 73207.76603 59366.64489 35625.24101 48769.86334 54667.19762 52846.62713 92131.39962 54935.43831 80384.10014 34137.8551 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162986.5553 168420.0241 226435.1373 81092.78277 124304.7728 40206.34887 87442.1638 114138.633 90105.3087 132866.5727 157935.1836 53633.3841 84259.43369 113262.4924 254996.9996 177975.1621 168541.4381 76108.52297 211896.3656 100242.7188 83893.43166 117987.7317 113607.173 51153.86105 90627.37087 52062.7629 264343.5084 69338.67529 96625.91859 163245.5777 114035.8988 95435.96825 262678.3271 334139.8014 114573.6142 171150.6374 187050.8835 114549.1321 117651.1513 80461.98938 105113.4716 223575.4218 93879.52163 123333.6443 233177.0172 181319.2394 238091.0345 165539.1092 99091.62438 97765.34613 114227.3287 112852.9607 164779.4022 92963.52639 93400.60222 51704.7552 89555.85148 147135.5784 89941.4563 92352.68656 101689.447 90469.76268 0 0 0 0 0 0 111594.5497 107421.1169 112897.5111 103778.2243 100654.319 91647.56077 91028.0401 190838.6248 209671.9441 59881.83317 203273.9454 91145.43764 72032.23329 127159.6089 156006.6399 142180.4574 206209.0986 97787.07061 81639.39626 170965.3989 65280.88402 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124760.9288 125844.859 94249.703 107498.3013 180656.7441 126565.4436 92442.6653 164294.8062 119474.7259 104521.3342 223359.7482 204497.0946 0 0 0 Adrenaline(Epinephrine)_R2 0 0 0 15799.61344 15572.90896 16447.31024 23006.59913 22401.20824 17855.43992 12983.53023 6540.599129 16059.23771 16761.60363 19653.00563 14007.18375 12168.28413 25901.47671 10075.42273 11048.5464 16208.21799 17342.70676 0 16307.52955 16207.54866 16953.15828 12893.72906 10706.10943 18849.54078 24289.29347 0 0 26862.23916 14953.84362 14088.21522 16671.5254 20264.4092 8305.964457 16838.35238 14716.94979 14046.37092 13980.89704 0 24432.00581 13550.15932 20100.79821 9520.805162 10721.59754 0 0 0 12275.94619 0 0 10191.91037 20496.82387 13490.89477 16820.83605 8786.375544 19407.96374 25392.61043 7109.45628 30373.47807 19809.07237 16254.87497 19503.91488 12900.55383 24992.85892 12826.17398 14160.59531 7838.193891 32872.54604 9826.688978 11370.20522 13615.66514 18703.37366 22482.4369 11441.73898 18832.90214 20214.80938 0 16015.52417 16570.21452 19951.30212 15905.93548 18256.33756 21598.97129 0 0 0 0 0 0 12224.68641 10761.56651 11921.56332 15796.47381 16168.01501 12566.73602 13388.65013 9052.9953 13043.98481 0 15111.58724 494.5620578 8471.653338 29873.19743 14092.47017 23721.99556 15078.38949 12300.22817 0 9690.061756 13658.75909 9169.933555 9294.747842 7266.912991 14500.54977 16121.65656 12763.22234 0 15521.47961 12048.42586 5341.821196 0 9029.862746 0 10559.49519 16591.87973 14106.18493 0 0 20453.14227 10834.85827 12110.39418 24331.83351 9852.477583 8812.935916 7681.755271 22144.92883 11072.89372 8887.169531 18448.17204 12449.06539 14615.4014 13927.15644 0 6212.315205 10151.36579 14640.18591 9077.724544 14694.69508 26093.83994 24943.42409 0 16405.00002 24322.29275 25549.39633 15240.37777 18798.79266 13488.38832 15253.65402 0 0 0 17653.4768 21829.90944 14936.98871 26379.91184 11196.31662 7305.705901 17165.19959 26255.08822 16627.20925 20112.0735 27011.60106 0 0 0 0 0 0 13303.88316 12372.02841 14657.29486 23874.30173 16987.51402 13717.44683 14575.87703 3726.164899 16014.59032 19172.01541 11230.11861 13825.35726 18928.65065 8544.702167 14248.35788 7109.774056 12045.51932 15096.62255 0 19085.14799 28625.99749 14512.60226 12025.51251 12210.43077 9896.056897 11760.63901 8238.965227 0 18151.31736 15271.29908 19039.90415 5715.340052 11560.78328 10669.88608 17361.41086 0 0 11816.81033 9796.744969 13941.71948 11379.71773 8440.375369 0 24014.99334 13244.30194 18795.6459 12100.26345 11641.90259 0 0 0 N-Alpha-Acetyllysine_R2 0 0 0 507297.8897 485455.1783 516797.8332 526991.3389 518055.5896 441473.7886 448143.0552 901073.455 266907.8615 480295.9029 228087.3134 297887.0343 236081.736 728792.3739 273089.2556 978985.1148 647850.6396 470492.7909 145004.8716 417253.6017 544495.5736 731328.4053 511858.4199 267453.5059 349907.2074 281982.4327 148674.5982 864907.9162 526626.5893 440531.7862 155134.8999 832262.3136 226901.5867 297032.0885 247151.8972 1069435.431 264827.742 337135.7493 756325.3999 509192.543 439690.4646 371614.8181 333777.6093 172164.0061 226504.6742 415231.398 193527.9264 467327.1044 524523.3354 607459.1433 216670.5267 490122.1199 427106.5552 841453.3981 856037.0518 301675.4097 269626.8245 938734.253 331570.885 588802.289 416056.5819 319471.0506 466009.4696 411463.8248 318521.4416 208708.5374 1109880.895 297432.3228 386751.0867 286179.1911 279938.2509 563174.2906 195526.7257 806456.2518 448459.8914 427364.2824 623649.9314 207109.555 307415.939 174496.7175 217413.7269 417669.3565 409332.695 0 0 0 0 0 0 511379.2386 537677.1286 525326.3569 502351.0597 481249.2925 505325.5199 500326.0571 732560.4656 325465.141 791320.9739 658618.817 568331.5807 963335.7135 1074400.724 682135.6853 582996.7913 349187.5042 494635.414 920135.2436 601823.1506 865018.9539 586070.9135 607794.7445 563455.3306 347011.6571 578472.1115 1363259.827 697878.5328 466683.8322 468162.4591 847669.8096 393376.5505 647412.6323 368891.6519 214202.12 822209.4624 310765.0814 676763.4893 163555.6164 360972.6459 417614.5758 979949.8076 773562.004 1096112.414 299567.9071 289215.9248 298356.9877 435591.7791 200492.1505 812176.1678 824285.0917 440710.0007 454949.4629 348529.3661 188674.9628 364250.665 406083.6379 573877.0221 457460.2109 665846.1581 281827.628 169246.1762 234213.8697 455799.2395 284938.0962 556431.4284 334293.9609 243498.1737 310638.1896 415040.2466 471958.4521 873519.6625 221849.1623 716541.9612 409919.052 537308.4505 513150.0122 134293.2442 910541.5194 906909.3271 663386.3407 403378.4016 540869.0194 0 0 0 0 0 0 500183.0878 483126.6996 478787.3217 539819.9198 492474.5436 572246.3978 539529.4961 641979.6859 553687.5312 742738.5984 778226.6551 349789.4377 728919.1625 691677.5785 926141.3691 678341.6208 421280.0204 532686.9139 165312.0984 580267.6212 371955.5416 854885.5205 242270.7265 177510.4798 592204.4596 383487.1283 448826.0705 192211.702 492877.778 524330.5524 673149.0498 779785.5018 778820.5701 744675.3628 199931.5053 850027.5691 255870.2141 955378.6704 977437.3378 513206.2288 516634.398 256459.0909 173946.4617 231077.8474 1073571.042 390278.6965 437220.6939 474029.6812 0 0 0 N,N,N-Trimethyllysine_R2 6454.755294 2778.479545 2808.67951 827447.8148 733921.5228 798319.06 840422.0956 815357.3399 492841.7885 526639.4662 428215.3934 599860.9825 265168.1821 535525.9698 598852.3404 659376.7278 375584.0871 1064472.555 1069204.821 632579.1507 563636.2425 601965.6044 814639.2834 727235.2291 555677.9016 812841.1661 541960.0224 469627.8943 276219.6105 631686.0444 635973.1191 895224.5996 469400.8822 624264.26 629241.6227 566452.0436 564851.8504 340754.4673 391742.8262 192263.1714 584111.4273 584900.723 275057.3073 515601.3769 817949.8809 810214.889 537227.8832 311602.6133 462801.357 522414.7899 442349.8178 1680879.468 503329.1856 485645.1131 794668.2696 532675.1456 287897.475 365196.6037 560463.3529 596994.1575 553825.2465 723754.2522 575680.2417 361959.2758 219111.9996 407488.4891 458669.4851 796533.4409 414751.7131 368937.1732 306917.0158 389146.5098 546278.2189 327154.9494 502234.835 514022.7397 350305.5334 718155.8743 511811.4279 332580.0685 510931.9073 377810.0132 450244.2264 1076660.541 643379.0054 419462.1802 13929.219 5832.326877 4135.349629 11853.17094 3600.008492 4298.088259 673868.1734 703806.003 694999.9152 656993.5033 595192.3524 467030.4652 464308.3583 330938.8486 274741.8947 409321.9437 710782.3317 423480.8861 755686.3499 385612.8477 620573.0917 390018.7443 289342.0212 474407.5863 393375.722 493966.8711 614490.3087 348282.5188 390496.2858 575307.3485 670972.2598 622505.5279 577476.2293 598109.7388 573224.0072 437296.6893 599164.3173 903004.4541 377239.1192 484468.6483 309345.0455 321513.007 364571.98 293305.6456 348782.5806 147283.2524 376548.2377 323226.9256 578772.692 682712.3097 431519.5458 317608.8796 344099.5929 394975.243 331064.2227 341136.5909 295213.6657 546985.2803 416620.6545 458829.3495 1647380.754 707700.118 356245.7973 375924.4063 550032.2598 330045.0079 261129.4697 264202.0865 256141.6151 425845.32 535996.6066 559999.0998 401410.5845 542807.3838 229235.5639 378934.2861 309546.03 394391.709 482070.4513 376888.8915 565890.9113 631989.7109 500409.0306 59697.66344 483392.9621 423624.6909 348308.7371 523306.2107 633147.3835 11980.91327 6183.501977 3754.058063 9338.961694 4922.808891 0 778938.7015 785482.1099 758619.994 800125.5609 800684.2426 582199.6858 568333.6532 482829.5372 354614.4717 624823.3269 251717.3385 376927.9479 440273.835 361475.0846 510668.3695 439402.2335 538550.5369 610678.2018 425121.6759 373062.3753 608466.4009 564479.8916 565572.278 491211.889 520003.4333 504717.6908 1204634.222 352721.7085 695495.6076 476793.1939 550950.7276 324336.5461 484176.613 617507.4561 528223.6262 467074.1865 561279.168 495310.2993 589768.5097 420947.4282 647218.0422 293531.2109 500033.8114 304123.0247 580181.8616 245129.4488 673998.5588 459545.1686 13830.27135 0 5087.241324 Kynurenic acid_R2 0 0 0 2549090.713 2483175.81 2542860.864 3135729.323 2972364.203 3242503.972 3123537.202 2561880.733 2929264.682 4297726.249 1611813.069 4669751.458 3325610.137 3419415.155 3899207.908 3206139.697 3531923.806 3187030.578 3099573.384 3959819.768 3276055.687 2506106.176 4103848.472 5915099.352 3801118.227 2948380.13 3015567.35 2530610.503 3159556.435 2962960.149 3065414.747 2394073.048 1524966.637 2204108.451 1937532.068 4517703.296 3015654.932 3289988.367 2329830.82 4073096.867 3158966.984 3162746.323 1990662.086 1262716.22 2722271.212 2608712.994 2547436.685 5214502.635 2647949.485 2841090.572 2767001.173 3031791.042 2997226.152 3418235.82 2994294.324 2001028.93 2890519.568 3924741.675 3073105.173 1895988.02 2023912.46 4225028.429 4581582.896 2730947.304 2485711.128 2461394.286 1821359.468 4140106.011 2575255.62 1953863.595 2173098.257 1733758.117 2247567.034 3934929.302 2623912.386 2617620.742 3243204.238 3251834.79 3013449.464 2256298.371 4102251.516 2550558.031 2625885.542 0 0 0 0 0 0 2091850.695 2056674.218 1854790.485 2312737.9 2181763.496 2662479.477 2551279.352 3143829.636 2745279.11 3016589.439 2560412.204 2765140.024 2034977.69 2985968.079 2337452.473 2321447.879 2770783.084 2481767.841 3614432.716 1619076.786 2329443.589 2542541.149 2855727.861 2331257.407 3544741.354 2367511.898 2283588.409 2564432.486 2036622.437 2311457.483 2796353.787 1986546.856 2836970.513 1817478.134 2110718.054 2029343.802 3077658.565 1813950.162 2038504.202 4814914.607 2181189.699 2372453.193 2595803.34 2159885.061 2360435.309 3151833.229 4337950.121 2920232.801 2482859.564 2218347.09 2035052.519 2284565.743 2531031.093 2700844.667 2009876.615 1580551.406 2629925.805 2051498.358 1817090.087 2645913.113 2091906.838 1999191.526 2704298.993 2388618.63 1637588.646 2137429.246 2274072.615 1945560.825 1567123.111 2037765.668 1575085.82 2195696.559 1812180.626 1532616.196 2036227.641 2523348.042 2685697.376 3272397.832 1754999.83 2736586.315 1650422.511 2233639.558 2644667.547 0 0 0 0 0 0 2126030.9 2131752.472 2004886.614 2524675.235 2477360.698 2693560.014 2502466.593 1339808.445 1988559.855 2660350.955 3893780.649 3440418.598 3011248.481 2465401.965 4743871.067 2730677.549 2476579.65 2723818.518 1849173.56 2237176.268 2318905.905 2786066.637 2808192.461 2113817.472 2804279.509 2258203.302 2883913.729 2307539.13 2160626.275 2572508.219 2043336.722 1794814.682 2663777.47 2109814.81 1994044.128 1819410.798 2129071.977 2254284.787 3734021.811 2401860.999 2245438.246 1781603.788 2265715.747 1411520.566 2116270.877 3719894.82 1937422.826 2488970.583 0 0 0 N-Acetylglutamate_R2 0 0 0 143134.1869 139805.9733 136940.4985 122986.1016 123674.4301 79824.1967 78696.62456 97611.76205 65462.67153 108838.2016 30663.33937 179773.8216 96647.82429 299096.039 83518.06924 228225.5129 85744.02018 92922.63085 33268.12829 133078.7977 160363.4783 125360.3393 138265.0045 236030.7593 92866.49168 127216.4261 31072.59678 106300.4417 127296.3349 76725.89377 87327.45888 135275.5609 31476.35531 63113.69065 112824.4437 206184.1443 148484.2277 129623.3479 88227.65298 108962.4459 95625.39948 94091.51005 94328.16538 64061.77721 37988.16287 68725.91953 50400.43681 373905.3463 49756.84457 73775.17592 113139.8845 123718.1022 90265.74052 277403.1972 239951.6324 119082.6192 103306.9851 154983.5498 112271.616 123294.5077 92875.63194 117181.017 315576.6732 80932.62751 107944.1008 107730.8133 110857.4562 139207.718 105732.4461 73885.33864 73810.52507 120072.1033 67841.1825 117341.7817 115439.5487 82054.80374 32015.97655 78355.22625 102411.3969 96645.1347 77655.2117 116082.7919 82207.58595 0 0 0 0 0 0 153117.2256 153916.5148 146716.8577 128068.242 121153.352 91344.79883 93307.73004 227074.6181 147773.7424 43890.33955 207987.1167 126026.4989 116183.845 111110.2184 119347.3011 157617.4867 149526.7274 99662.89821 82440.91321 98615.24138 73974.01478 153140.6481 116875.8801 175557.623 142535.2646 200768.043 187006.6434 56757.0229 121889.8746 94433.4047 242695.6142 57678.53464 159453.7067 66696.1239 124401.9278 106144.2245 180913.9691 110494.3465 67739.90705 199029.8461 80144.43088 278222.0135 168254.0898 177380.4718 127437.5244 142784.6835 160484.4973 148297.4726 158063.3174 196456.9484 190277.6292 122633.8964 103322.7001 70748.91626 87857.59259 95712.9596 87847.10373 168197.1539 97804.84897 156377.8735 133778.0475 135876.272 105612.5081 93269.48951 82758.52674 68576.91087 122571.7163 105728.0213 53683.32546 101581.1277 73956.51841 165898.7456 96380.37958 51143.68948 117241.4569 120848.7443 142711.0229 65816.21753 83702.86524 186119.5288 173275.2756 122896.8039 116092.6992 0 0 0 0 0 0 151995.5594 158289.2027 153579.5272 140846.1924 142457.1412 115080.28 116877.3491 102668.6889 105383.5388 194544.0151 159899.56 155349.7034 94169.3527 235634.4178 260331.713 90249.74666 331703.7812 127941.9122 43556.60077 112089.3189 120753.2977 155450.8848 86763.02683 55209.78451 67560.76631 299781.291 167245.4619 46768.46676 136163.7166 121793.8758 71724.02204 167396.9913 135601.3036 271827.1137 46183.49872 164294.4404 58099.91541 171146.1155 106739.3333 116873.6294 127256.6543 174982.624 117876.1593 95041.75423 176293.9026 208018.8062 140934.5896 137422.7858 0 0 0 N-Acetylmethionine_R2 0 0 0 34549.35804 27295.30754 21870.89223 42101.07722 44173.84744 58577.10578 53248.67142 49106.82343 30697.55257 72947.16667 10793.22864 26674.22277 7384.143446 50143.76572 26987.01498 7769.812693 9630.499081 58334.17201 93041.89686 170512.7439 74925.09767 54418.67194 33538.06701 92272.9108 11350.76031 60477.29836 94011.32613 31928.93518 39545.13539 52356.90698 20516.37452 19711.10561 10842.00433 43620.18784 129369.4581 13583.48604 19206.11874 10000.12455 28885.31705 28870.05291 56833.06721 201419.1825 12980.12766 45769.96775 16654.03103 106025.0162 21690.07878 88831.7872 20635.93514 117262.5388 23512.92532 46281.01916 62942.19801 70882.33457 63285.00132 123101.5579 33998.17048 0 40323.8584 35304.99989 25424.42523 44581.74041 77828.94859 51409.98686 18999.49734 11321.45325 75522.62955 68180.92308 102020.5694 34777.02321 36465.1359 33114.80225 24115.01841 56943.03034 32401.41098 52154.14811 54068.53935 28837.65097 37191.71554 39854.79412 13374.71759 35782.82694 46404.41927 0 0 0 0 0 0 35087.16275 29645.17125 31054.63225 33943.03259 39797.53016 60981.76613 56261.0065 108086.6413 50326.62497 72392.91287 325062.4401 16315.70186 45794.70772 25653.26043 44157.76863 152420.3198 45555.04947 58928.87165 62569.37895 0 129385.6029 34457.05466 0 174915.7487 38439.56484 329455.5263 36052.37302 25831.55724 36859.42005 61798.43646 0 58483.31508 61702.82306 9586.534585 79889.99365 0 83230.17426 18408.68757 34683.57434 144476.3044 55245.08208 132509.3038 108886.2198 50193.75051 14824.11874 46802.1468 103461.9133 331095.4515 122000.2183 47875.82275 49645.02095 35812.54878 54081.61545 16609.82743 66501.41778 53314.29039 138157.3929 42703.47173 19207.09079 107086.9499 49986.24182 118628.5956 18892.02955 55124.11627 117839.4532 18429.53432 36393.1038 46250.41398 63254.084 200639.7924 99556.08173 12305.97314 21326.36825 19791.18009 42248.74266 58804.78593 68253.93481 8114.489652 31339.58726 71286.07391 55239.52658 36345.24454 58698.1462 0 0 0 0 0 0 36582.5424 29657.83441 33898.13655 43529.33047 40585.78148 58794.12658 51872.40442 154270.6948 128643.4273 66600.97597 36639.13912 19569.36478 22383.80579 0 31437.61382 38467.16652 27304.17788 59000.15843 39944.49771 147784.7604 31327.86091 14192.14021 15412.44067 33029.22973 126737.6364 25039.08309 61964.14321 64624.15249 32622.19725 54047.7551 73509.83503 33878.30722 116263.0855 0 39531.35267 32682.02486 17910.82385 60920.35351 2027.831052 21007.30487 50213.68147 20706.72274 159254.9571 38530.8357 60382.627 50653.67861 32862.02647 52256.76808 0 0 0 Caffeine_R2 0 0 0 1981739.592 1856743.85 1898305.863 683508.9682 667676.3517 84472.47942 78280.79308 0 585298.3215 24270.48956 18204.77152 0 0 8707.438388 20000.74632 125445.0661 149322.6061 82735.93665 17890.2363 0 0 17546.52188 0 110578.9302 32245.86242 7214.807104 21435.76585 23384.87483 655785.1591 74919.42093 17830.90741 323295.9655 0 1967884.652 2018495.802 17261.20132 8123.002195 0 0 10527.16731 81194.97747 0 10095.03599 0 0 11652.56574 69777.94376 274424.5992 35597.97592 11276.59256 23725.44487 636010.412 75887.17332 84216.66546 61489.76308 12681.4149 0 83881.61263 0 32108.31771 141085.0977 28230.54544 257903.5983 68302.0238 0 29642.9007 26801.80844 0 17120.03923 0 771086.2113 32768.09177 39103.6487 17210.30211 579512.9898 67838.42118 4289.474982 123283.2119 9472.06228 0 0 557965.8475 69933.70213 0 0 0 0 0 0 1920369.801 1869079.465 1740592.258 601244.1856 611432.8356 79800.56498 76534.96169 136829.943 0 0 69520.39284 827849.301 122769.3047 0 33188.91108 15998.52833 0 77176.1262 26012.51184 0 12975.07055 499334.5791 43814.26024 0 8151.582422 63714.02677 31625.65829 24302.69284 577191.45 83613.16017 93718.04058 168993.8646 16109.54062 195168.6315 11521.44032 0 0 0 0 56721.56852 72422.0541 15665.97226 11712.34108 0 0 14060.5382 0 126714.9024 0 11586.59291 10053.10135 612039.7441 79761.91187 16112.8676 0 0 10380.47937 0 61490.75784 0 0 29129.65686 10951.58453 76656.44392 90910.53642 0 9901.970598 78932.98611 149983.0778 537325.6145 15575.34617 33305.57007 15054.90391 7201.702761 542218.23 83876.28551 10804.22687 0 213917.3101 7963.839329 14319.08733 564280.67 86160.66619 0 0 0 0 0 0 1767547.982 1830295.98 1833086.717 617423.6087 609235.0641 87444.29819 81386.18498 157353.2046 10287.1116 7623.370065 31635.49005 8164.75541 0 451144.9718 70854.53845 60385.3353 32184.9454 87513.90523 19316.93657 0 0 28272.12519 12057.2004 32117.91551 24768.02352 31986.47139 0 0 553133.681 80655.12557 11296.76407 0 18810.04591 177869.5411 5291.789866 0 22906.6092 22712.70872 45659.75239 55718.8718 73266.60616 20090.25222 25407.36195 2992.999519 25410.82385 0 476030.6708 58513.86759 0 0 0 Asymmetrical dimethylarginine_R2 69863.25722 36395.10537 24628.25463 3946564.901 3772122.185 4103431.02 3548329.063 3382648.224 3753124.885 3809850.33 3316270.644 4729225.577 3020963.808 3813094.721 4390397.501 3202590.818 4681885.476 2994887.572 4097256.504 5012796.884 3646505.68 3374104.928 3847222.395 4399188.283 4414048.72 5154490.527 3993052.513 2986855.366 2338792.269 3139297.005 4598227.437 3695165.392 3187580.215 2982306.75 5086617.777 3632647.587 3469254.506 3274165.115 3692136.893 2145783.774 5058945.327 4226685.416 3028973.826 3763694.593 4570807.806 4258208.626 3152389.798 3272027.453 3850581.697 4344685.789 3841346.788 3882166.249 4125506.803 3287135.785 3371915.981 3546498.59 3188964.799 4018456.582 3781379.576 3713251.98 4008374.167 4195904.539 4422350.347 2787322.318 2580568.451 3250707.133 3229271.461 3710766.443 3937629.027 3385301.92 2653617.182 2946989.861 2989909.153 3137623.218 4362626.81 3171804.534 3238268.71 2614019.25 3209407.235 3291139.241 2529304.005 2706999.239 2046343.805 3215598.808 2456579.459 3017561.856 80465.12442 35759.88666 29090.59866 94008.56537 34320.70127 27122.65694 3529293.229 3592640.307 3592123.725 2988399.049 2776840.009 3604233.267 3566855.205 3868046.212 2814660.153 3965120.281 5320343.012 2930512.829 5259762.467 4881146.239 3865161.653 4993517.919 2969891.94 3658298.551 3955887.7 4501943.297 5331685.444 3520625.639 3847672.111 3758444.894 3003898.209 4806499.793 5345821.617 4616550.699 2871024.263 3457687.63 3487261.127 3639228.264 3930178.655 3325499.405 2893692.754 3031728.918 4411060.32 4070388.319 2771283.799 2501048.485 2937773.157 3388256.696 5419265.831 3080831.372 3502343.001 2663371.315 3781474.636 4065222.901 3319553.19 2382591.16 2696820.514 2679222.968 3315117.89 3405226.041 2356535.353 3866053.87 3275197.509 3449173.074 4215876.284 4231558.679 2567586.462 2769087.413 2430236.965 3150973.57 3321697.598 3103022.482 3297056.085 2875040.12 2543989.999 3828174 3023351.993 3985818.932 3745749.292 3063692.445 2370606.855 3868233.801 3850226.208 1132449.818 3495723.413 3672975.518 3411518.667 2628813.521 3962737.605 77605.34665 20066.31182 28306.62389 87383.27381 37310.0897 31626.67978 3369378.986 3265928.936 3205755.11 3266603.365 3070005.768 3976598.767 3749564.485 3330528.357 3867848.085 5074367.933 2753563.557 3932290.59 3687337.98 3322827.129 4670247.256 3085696.339 2751476.47 3972167.477 2983176.204 4110442.1 4177787.441 4307209.82 2890203.412 3106256.236 3899429.022 2738250.994 2714054.037 3026360.987 2713530.122 3527330.902 3627180.48 2719925.235 3072265.677 2818416.987 3121178.771 3504167.138 3414301.67 3200105.064 4644071.658 4107308.22 3252638.359 3165846.213 2491509.605 1919143.306 3865413.049 3009374.544 2875267.807 3747756.303 86327.4487 30368.12801 29323.03777 3-Nitro-L-Tyrosine_R2 0 0 0 1874766.229 1814437.289 1852649.528 1696954.677 1675944.401 1751968.389 1642921.402 1091185.893 1788776.629 1246463.586 1340873.69 2049097.885 1486940.348 2608954.087 1286255.556 2181371.147 1623966.697 1805826.516 1414841.799 1719714.807 2071993.81 1877491.238 2261602.569 2159978.742 1255750.078 1377684.168 1353158.207 1498280.483 1784880.093 1679881.173 1044989.866 1877808.934 1227445.637 1118672.07 1304991.982 2258315.031 1216484.728 1893225.127 1267837.564 1555920.122 1641138.524 1605145.761 1735011.19 1223828.667 1362312.642 1405562.515 1537372.806 1665016.351 1543968.931 1487862.411 1377990.265 1726368.109 1660583.808 1891562.709 2621941.321 1465881.857 1952531.719 1568658.108 1630622.328 1865423.352 1162132.071 1306736.343 1686200.68 1464130.999 1277848.839 1750930.034 1754180.424 1837207.035 1335176.27 1234071.773 1481713.391 1839802.677 1354848.822 1774301.333 1469983.019 1398111.891 1094439.953 1409106.601 1459204.357 972836.7023 1402661.453 1439302.773 665982.1035 0 0 0 0 0 0 1739501.851 1787587.901 1736420.77 1480645.223 1478261.698 1696149.084 1675553.665 1280027.703 1767735.559 1228418.742 1982621.697 1145709.15 1811171.749 2193896.032 1501662.783 2129939.245 1823123.794 1518225.028 1658518.693 1531548.665 1816028.333 1293407.422 1706622.233 1655675.474 1851886.687 1795224.029 1919982.283 1646485.265 1388607.252 1483651.029 1762415.787 1083805.211 1634081.437 1125183.82 1238871.278 1441733.66 2125398.256 1350211.69 1338236.962 2661292.514 1326575.118 1631073.68 2067883.336 1292850.114 1291515.678 1484303.291 1888932.225 1935058.761 1529628.856 1045055.899 1064869.787 1354963.995 1375803.981 1364302.813 933903.53 1203963.221 1205397.824 1354184.863 1399161.389 2002194.467 1264944.641 1310659.39 1031143.055 1364806.059 1243927.256 1326208.408 1321199.484 1167628.055 905865.6285 1650030.56 911668.8875 1427800.754 1345725.123 1041528.731 1182703.428 1428754.38 1454692.02 686430.8712 1249080.911 1937534.48 1547470.799 1264355.413 1571636.038 0 0 0 0 0 0 1634208.842 1789552.278 1759215.908 1668048.22 1537126.132 1672364.963 1622869.43 1343216.143 1432508.622 1852368.19 1731806.17 1950812.219 1792148.061 1734445.248 2122312.326 1167601.588 1285896.199 1603456.858 1134375.583 1586348.223 1824606.149 1776760.248 1320038.147 1299706.052 1586195.371 1242566.661 1187041.407 1123718.132 1479660.743 1552156.096 1300320.08 586012.5917 1783180.466 1562911.911 1252556.558 1164757.512 1443854.229 1166353.883 1628341.774 1447934.874 1479585.555 1402851.325 1189142.066 938798.118 1173225.896 2047892.442 1290472.353 1339482.891 0 0 0 Kynurenine_R2 0 0 0 176911.6005 170964.741 170948.9703 158209.8386 147946.2708 175355.9369 166887.7016 60925.72562 215273.5853 435071.8281 26874.48776 149229.2196 446675.2683 690883.7385 143092.6863 214338.1676 81577.02363 149119.4376 69479.35578 182647.9338 334034.1006 73975.29469 276100.8691 360059.321 102609.6788 218273.31 65691.13881 36738.88878 149933.2325 192948.8714 62108.76633 156151.2651 28319.32552 90180.17134 123419.2271 119931.4076 283447.9687 158581.1258 35476.48097 281875.1262 159323.1725 44777.16682 149417.5894 41123.79235 77351.75731 364275.0597 49290.26116 242091.564 79524.80878 110720.4527 44519.41159 156063.4477 190341.1137 118364.1939 347985.542 86675.38423 89425.21054 82103.56969 56165.03691 50276.67193 92338.482 311942.7987 285472.4515 168238.8069 65209.40563 154177.2101 77050.16487 110743.945 122905.8075 64272.40906 105138.5106 45171.25367 77196.63857 86992.15562 130311.5929 148769.0402 36934.5209 147947.2678 149897.6169 264228.2743 63839.52725 134956.6378 153654.9393 0 0 0 0 0 0 151420.3928 149221.809 150316.8786 138726.5093 141791.8233 87535.83853 95714.57383 131225.6451 326836.2875 26895.385 79482.67427 84991.96584 31151.06522 247269.4676 51811.02355 135311.9613 341541.9088 80528.19309 39237.30697 98076.91353 89233.78678 78691.13596 41754.67512 35683.46583 333315.1863 69983.67114 91802.07014 84876.02763 132565.9664 91271.50514 214748.2075 23432.89892 264742.9047 30911.86921 169726.7502 252481.3529 291294.2469 44453.72295 76507.25657 201149.8351 152792.0595 60899.71344 330684.067 167871.4618 217414.6914 246075.6135 92336.76273 141866.2831 145054.6231 324478.914 351460.82 126029.1206 113347.3728 122401.2988 241225.7233 58664.95554 236133.2664 73628.60251 73423.0908 335130.4384 172505.3769 195681.5144 136729.3536 122403.8094 95675.16411 107766.1072 67240.24462 178192.7781 77523.79477 98702.09783 36648.99204 119780.1461 34114.84702 70803.51719 113683.1044 82306.80037 37991.58796 132998.9154 76362.04244 72653.50756 180007.0406 125861.4466 83843.40146 0 0 0 0 0 0 124621.3971 123059.7153 124838.6865 119358.728 119674.9597 81918.0053 80811.45185 54679.98182 52996.84056 52127.3385 74494.03849 144617.1091 110818.474 186215.3064 297955.3574 150342.7448 178839.8772 78536.10461 55951.61108 74286.73631 23607.92436 24765.61031 67892.15241 72687.95065 65065.97208 274378.8835 138944.9588 59462.6005 127963.5469 93335.33284 91017.51026 56164.28553 42159.21391 216653.0651 21250.03051 55284.47249 102630.9692 72333.37108 42524.09431 96558.24801 74451.04931 123304.6217 166787.0847 88561.93021 79667.909 492094.8761 120631.9093 79180.81126 0 0 0 Pantothenate_R2 0 0 0 711201.3949 755759.2984 797602.3489 1016659.473 1092841.447 1499141.294 1435214.232 575896.6946 883036.8131 1752027.802 1456411.951 1778894.257 1589160.237 1401174.121 488837.9489 1830562.456 1099099.161 1635229.08 995901.6502 1419143.343 1143148.338 1184920.971 501195.4124 1230286.923 2548716.067 1507529.414 964277.1536 1414790.944 1087890.257 1551869.793 1002176.263 2128123.72 1385226.901 2721454.209 845085.2913 1775134.839 1227590.194 1518424.581 1263756.194 2251528.831 1581063.232 1077597.987 1189558.843 576456.5489 2128397.914 1530603.757 1045016.183 1038061.695 1433422.773 1604556.958 911901.4192 1070003.558 1697393.642 1239561.758 1268661.855 1163889.126 989519.5321 1276997.413 853828.6833 847424.2149 605582.1513 1387804.068 1083248.416 1329998.982 542229.4818 1302261.884 1522404.414 1371486.279 992931.9667 1398992.233 4674118.42 782846.2542 1510416.416 923923.2263 977982.4644 1503232.304 1012789.565 1180355.675 1116333.123 509542.5898 821560.2084 894681.3833 1376754.812 0 0 0 0 0 0 719502.1266 762911.9102 774967.7351 1040049.422 1005482.757 1659198.178 1648590.458 1083562.607 889299.9447 1080962.275 733762.9007 1227988.552 1312968.807 5674199.069 793588.9968 1406753.592 868607.6447 1555297.818 1121608.649 1089436.33 1223033.853 1132785.187 911482.4168 643208.1337 3590206.316 764659.6159 1150091.241 1344934.789 919233.4942 1574585.362 1108400.136 530267.9723 1060243.185 1525487.384 1156964.678 1090162.726 1312575.083 1086940.35 5930511.066 5259949.927 1299495.606 4299118.65 1785068.061 1057436.854 1522795.397 642684.7134 2305767.135 1118695.34 2139817.452 1454088.708 1558492.951 846291.6931 1471955.607 2041821.524 792756.404 758868.4109 1280462.522 679689.3815 2432167.515 1623925.246 3310448.215 1977164.122 1059941.806 1303548.994 1798803.049 770448.0268 3336763.563 936779.5764 935565.0514 1597051.276 1387424.147 1674886.235 777706.5784 1548164.377 845247.8337 1361264.632 989173.8476 2142792.272 815920.508 1711935.606 893903.1729 834697.1411 1556229.677 0 0 0 0 0 0 652888.8415 651681.9702 670809.2659 984262.4898 920245.4674 1608455.375 1479761.382 693287.2404 1193493.061 2142618.983 1133491.732 1876987.997 1534543.867 1079919.841 3979651.958 1543265.648 922989.2385 1533786.464 1550909.625 1264736.311 1549454.602 1238032.752 780348.6635 804406.7698 2105161.207 934058.7139 1101912.537 776050.3953 910481.3573 1440942.635 1508548.832 711304.1995 2421422.222 571093.5862 797703.1322 694175.1053 5350232.421 617545.9023 936015.8834 711106.2041 1436897.093 1360359 1448011.058 834334.3383 560853.5492 1664929.732 778493.8098 1386879.391 0 0 0 Hydroxykynurenine_R2 0 0 0 52061.64943 55027.34142 52894.62347 28701.64646 24520.57609 52914.38603 52803.85794 35288.40931 61854.43973 74266.29641 27528.9592 27763.47849 54779.51387 93924.30387 63401.24868 64325.26149 55888.31459 53660.0236 58661.04064 29032.37586 86165.72441 38009.25212 43666.21331 102895.1897 48214.44111 56899.56671 51430.67999 27275.02007 23603.41791 45817.88223 44597.22539 90429.42324 20376.26739 31778.86069 34093.0855 28898.55711 48448.98757 61768.88389 26415.43103 44554.00408 49486.51878 35148.26994 24812.3873 19588.7544 26024.65335 43929.21665 55245.78364 95273.71113 26811.95074 30085.45102 26086.48909 27996.29713 52077.95625 24425.30979 44214.78247 34424.49021 25074.76182 65767.57862 37105.34108 26863.26754 48674.39999 56166.88791 72371.49337 39621.32919 48643.88974 36456.62051 39251.14117 21875.19586 33331.21911 53679.95041 23243.67916 24386.9351 52247.23779 14626.21547 20908.70272 34741.26063 11197.76382 26941.96427 18216.27126 40228.41423 37338.19799 18138.69104 35879.23642 0 0 0 0 0 0 38950.05129 37153.33631 36920.77804 20477.02231 20530.84345 49053.32623 48760.95515 46863.32122 93754.16311 14562.98908 42221.94662 46983.01246 24430.49904 75104.72405 13814.46241 58898.46386 98300.05733 45319.40229 54081.45117 81696.07418 80594.32024 49614.7935 27634.4569 26192.07512 48825.27666 42672.93577 29923.40749 82369.80936 20997.97552 41644.63439 56360.03854 36441.41501 108645.1643 29765.22555 43316.77398 41937.44744 78808.73262 29730.11062 15148.8557 83785.15498 47636.7104 27578.29682 64956.19112 49386.26123 61053.70721 45257.20538 24366.06409 41834.72461 53904.19796 43873.96612 47311.24283 23247.28396 42432.19172 80554.07406 44500.19746 32517.33125 52799.05997 22127.59412 62586.30302 72168.87617 33187.10229 44749.56192 37084.29542 45268.13875 40458.39599 38860.48592 48004.32276 27834.84751 12444.08783 31062.69599 20130.5837 64786.57452 29017.31792 44540.80358 22979.10984 44574.07607 7170.350878 23929.31259 48028.41549 17535.35567 30066.8246 26683.77655 54631.1975 0 0 0 0 0 0 45823.22512 35377.86065 39877.5715 23285.16947 28922.65715 48607.61859 47391.10157 24358.74706 42807.63449 52311.23617 21688.22293 53879.05588 75288.03496 42852.76921 134040.4938 106048.3937 53957.82433 50405.7924 43621.48757 41324.91825 25264.487 39169.61041 29488.2569 63585.74575 39396.62021 47487.74291 71263.33129 91876.17445 29722.44812 44229.7124 58785.45449 33118.3658 25687.68827 98181.78721 19365.33142 37028.64655 18209.71009 48859.51187 33206.67394 52853.11372 46595.81608 30753.38031 55185.77597 14658.99552 41224.86843 115443.1706 23108.11167 46101.85436 0 0 0 Carnosine_R2 0 0 0 5100.400002 6818.267608 4419.192724 7605.615312 7483.733647 22406.66129 20540.51416 6082.624631 50024.78611 51071.92702 42695.29912 8206.917518 40441.51047 0 7478.542359 0 17718.46997 29014.36283 50223.11771 69668.02308 13789.58704 71821.42085 5077.04752 0 183308.0608 27056.70532 50223.05127 229214.5874 9560.703869 16058.8795 4512.656811 61059.86304 41070.62655 30075.44968 31114.32605 0 0 148583.5733 188742.1181 7145.034274 25727.26819 37041.90937 8217.000709 25850.61479 19723.34212 46520.43161 125395.1806 6738.726075 80000.40131 117441.1392 8399.640233 7098.638833 29668.25624 29056.96005 7742.15376 19874.53108 5820.715333 14820.50145 25035.74483 19677.26681 217145.4504 4938.502844 8110.800136 27985.0171 22167.98624 0 6091.930733 8152.547361 3919.330724 21279.34605 7908.465182 17237.8279 73854.23254 0 6267.170921 30684.84634 22236.15783 12673.85627 7267.091547 665666.3045 31163.67745 5099.11235 22894.87364 0 0 0 0 0 0 5541.23017 4161.491854 0 5463.835146 6311.042379 31152.43173 32256.32217 6994.050615 2527.194494 38137.45681 27232.28823 14823.98147 71540.81449 82936.74459 0 19936.06854 0 32735.68615 23467.18639 5840.456101 41879.19359 5868.472615 26330.53818 10412.56974 8107.211163 21251.73797 36179.83699 336583.5206 7828.502602 33934.07941 0 110189.2821 100358.6511 126342.5304 5666.522682 5809.741663 58886.23328 30080.61372 56982.50858 40436.01468 19884.54939 7269.784211 17572.0244 6735.986802 9635.943542 17382.41658 7013.498905 48086.83201 6955.48118 55605.00802 59224.75661 5209.961214 29869.13857 104764.048 0 7998.033817 44986.86844 6636.334025 1455.373281 11246.84739 9201.656492 6453.716942 0 25287.49854 11766.70116 383288.4258 9155.035616 19343.08759 80775.66321 38903.08287 166140.3079 214539.5011 46748.40846 126741.2528 6816.911458 41577.31916 10005.6687 4235.141066 24590.80633 4631.576952 16893.22946 3817.859608 37699.68514 0 0 0 0 0 0 7367.48069 7751.356497 7128.234648 6799.825818 9978.337011 37509.75555 33314.82559 55478.1973 16240.34789 7403.369835 5910.405882 0 9392.171663 17547.42147 4756.134647 122557.1028 5585.149243 42871.03629 87743.04333 17119.21799 23031.16066 109162.8796 0 41006.6179 119826.4552 0 0 264741.7406 9758.635821 35759.24905 16019.89729 0 13946.96217 10612.69667 55637.82928 5144.331841 714055.8369 18317.77723 27919.58798 15390.21541 43459.08663 5503.423451 16638.40693 9367.897048 14161.64271 0 8427.018209 39051.17906 0 0 0 Deoxycytidine_R2 0 0 0 26198.19605 26784.94907 27989.78057 21279.63619 21052.74416 28646.56083 34974.2552 13790.71884 59893.5458 39985.05974 30340.73076 28498.77114 48091.23219 22703.24236 27994.27016 21670.01559 21530.57273 29422.93841 28732.33227 61901.88858 19592.23282 28591.7133 42096.39642 18408.98836 41004.07394 18754.69684 29932.01003 40963.08973 24823.6883 24521.34893 18184.58809 65758.78509 30055.28913 15370.81473 0 19155.11351 17759.14477 36911.64792 32488.55019 30417.72654 25807.75656 0 29978.36095 36352.12753 15667.77131 14594.64566 23665.63082 42788.51644 26940.70842 30894.31112 20613.17153 17657.57158 31776.47998 44170.30863 30757.4514 22650.65627 62173.69877 73648.44168 0 37875.10074 71686.05696 19373.54211 41794.60003 33576.1555 69527.05917 18522.083 31205.36178 24353.42683 0 39728.79244 13519.21013 33797.83307 30820.45313 22167.40043 19273.62656 26322.71052 16643.41245 22294.93312 29405.41233 74278.21964 30787.2779 16331.74349 23092.68841 0 0 0 0 0 0 22761.99203 23465.25611 22601.74859 19757.4583 15307.05589 27131.97137 26022.12696 27718.45543 22883.51113 13068.9576 44848.69065 20733.76276 17111.42784 38742.41183 23506.87874 21411.19439 23613.20521 30638.78563 11787.11371 26214.28285 21325.43387 38737.44339 24842.05695 27202.08637 39833.65867 38715.0185 17580.70911 85412.64682 17282.71081 25933.84317 43198.85032 0 90558.2496 19889.41361 11269.80682 35318.49078 71004.67161 12176.10459 25407.46357 21102.85279 24846.96624 25692.05289 29546.08912 18417.3354 15786.52099 39965.46806 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0 0 0 0 0 8817.580805 4339.488713 0 0 6537.786492 0 0 0 5263.778984 0 0 0 6450.608814 0 3928.224327 0 0 7466.821247 0 0 0 Biopterin_R2 0 0 0 109756.6032 120413.2855 108953.3591 298340.6271 272025.6269 90150.16921 85555.60121 43426.88902 97163.96458 110196.3748 43704.75558 157057.3833 74718.36877 163424.9474 75349.92392 141664.4539 52236.92205 106198.4239 21653.99454 145823.0222 204868.2615 110869.9189 109386.6855 130780.9141 97663.53815 133152.0104 27040.75489 61079.79074 308189.5764 114505.0329 45942.3861 104982.6333 50260.0863 61488.08359 78870.28327 173459.2353 131542.9176 152674.8882 62276.06949 110402.5589 122890.2693 32365.55012 141530.4336 74977.10173 90873.48306 101095.2948 80168.05034 97037.83899 98698.22391 120253.8413 94318.80172 324645.9439 110768.4146 191302.2788 176113.8764 117560.7179 213731.0773 83169.84451 92881.13777 141195.9311 68201.81011 132190.1246 100293.9278 112971.7932 45353.64263 146816.8237 108407.4842 102175.2751 49326.56104 88790.10058 132849.4087 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53377.39606 91201.22146 60508.63476 53636.21568 235361.9148 127102.8191 193067.6373 104751.8715 72772.89239 267914.6691 160341.9934 268880.201 136205.3425 0 0 0 0 0 0 124847.8463 108343.4416 113645.1382 273459.2209 256173.989 101554.8398 99500.73311 72730.59904 70747.94969 92271.16928 236077.4912 79721.7014 103640.0599 133632.7784 103281.1438 37884.25373 125673.7818 97886.84922 53539.95819 72659.09112 79484.58615 87445.11308 71242.69543 46911.04956 107490.1762 132391.8819 111025.9623 62904.09419 261464.5685 104394.0778 48636.01322 55126.33398 126554.3006 118509.2683 41116.1274 70043.61097 86075.62203 29981.28169 61205.24946 78505.17675 89151.85 80176.2355 67837.10685 63779.54775 34432.23825 83156.27114 246271.8826 90553.38738 0 0 0 Dihydrobiopterin_R2 0 0 0 1290540.558 1281093.825 1325698.483 441819.5181 429101.9635 886698.9249 858513.8428 661182.7421 719582.7476 1157867.028 437765.2391 872554.236 682468.7186 1277012.18 502562.34 783125.8921 792500.6542 878270.5204 417054.2737 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39577.12576 37972.8096 25532.62387 222056.9242 38833.02987 42983.08497 50598.55714 69181.34998 33821.81346 34916.55029 49730.14499 57682.70638 60241.71353 45514.1223 53727.35876 37490.79129 33147.5309 51333.02818 36588.70254 58547.20042 50275.49276 31055.28807 47829.51331 70159.0553 148748.0067 19886.89012 52424.6943 73481.8535 61317.86544 51416.86766 71019.51431 0 0 0 0 0 0 42345.2316 40564.61106 43724.46127 61749.13562 63121.59179 35769.99294 35652.93656 32182.456 31146.30739 32783.71274 33564.52688 44760.21879 29197.26988 25148.51959 42083.81409 35768.07803 35538.36314 44686.03407 16186.72923 30758.45518 58224.81485 53886.92941 30894.73129 55755.89753 46779.54894 36787.35169 22870.34062 10061.7322 54018.4414 38299.91393 56446.8387 20529.104 43027.86402 25682.1633 44997.84114 21319.13405 83255.02378 36258.74899 52753.53254 49444.70218 42126.99623 28465.26526 61456.41595 24434.43057 42142.38192 30731.44551 53831.88631 43515.2021 0 0 0 Anserine_R2 0 0 0 52206.53366 46738.98749 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27776.11736 14915.53338 16850.04155 23510.09598 14470.63533 33545.57307 20829.10499 54606.83328 43844.88923 10789.05991 23765.36798 24407.02379 23083.36543 18208.1263 21311.12409 25295.63255 23758.62494 32027.49347 19382.87329 41997.3525 21499.32472 12970.71215 15030.25852 35665.48397 24127.8033 55887.08997 25408.21449 19375.13887 31660.0959 34435.69655 31231.01017 32220.87555 13002.49549 42857.3647 46282.73879 21759.74455 25112.24549 14690.13429 26688.63898 24792.6764 32091.04596 10618.9067 34695.412 13465.7509 7575.277618 7335.726797 62682.60841 16135.31656 28002.11818 25166.12725 21613.31282 27479.76789 11207.19507 54969.55248 19620.81055 16274.3214 5409.470879 15024.53416 47070.36819 17171.68994 26009.72757 13520.9182 20251.55695 25255.48161 10368.466 9660.834853 16145.53167 15918.96322 37782.94161 18477.8791 26133.85894 0 0 0 0 0 0 29402.91027 30003.4645 29961.31086 18583.03496 18405.74225 29543.07493 26564.56632 18852.99173 31444.61739 11885.08093 28289.85376 39289.68165 8519.807118 22074.86031 34339.16612 51874.6121 27474.31261 26291.0259 31137.40923 32633.04535 26424.28468 27146.09883 34997.4556 50109.90954 56094.91984 27511.66746 25343.54614 14259.72097 17870.73161 26896.29785 9331.936677 0 14245.44598 33305.44145 15130.85017 42161.64881 35165.58755 5234.581086 29162.96487 73742.10321 27495.25696 17112.2918 55498.45276 10841.67129 19039.04395 11449.29709 40683.73291 20842.95317 25653.02089 24852.44302 26181.73782 18020.53889 26314.80173 28380.79901 5898.822654 9398.996312 21384.5978 24255.09104 33573.10921 54228.91759 14033.87542 27185.97879 9264.916932 26992.89276 41577.13753 17946.04708 15525.92961 18951.93745 12011.66509 10950.09775 6998.137747 26159.66646 16543.17972 8396.548658 18652.97093 26055.5466 42651.43875 27629.4557 11461.80369 31414.50232 22147.54055 18189.21091 25496.2669 0 0 0 0 0 0 26178.58496 27833.42263 28125.42668 20361.39561 19010.18671 26257.89236 25544.67885 24782.06496 16529.27882 36480.02067 25263.17561 25762.68764 17577.84284 14470.72588 58558.91025 14841.35955 38104.44512 25220.10449 13268.77701 19378.72619 30704.52941 50564.48753 13376.96503 21172.61588 30368.69819 43394.17056 19493.70627 17556.77275 19616.00482 26816.50007 17636.53375 31778.97638 41526.75067 22353.13128 10013.0475 32346.49859 26986.79096 14151.37947 50327.76996 29548.84009 22808.18208 12615.10182 21661.33263 22764.15122 15880.75786 49529.43894 17448.06182 25174.9358 0 0 0 Xanthosine_R2 0 0 0 136559.9966 115343.7704 115094.9142 158751.206 140677.0032 119502.5208 118150.8979 82010.15428 155710.1151 115557.3581 63366.71105 232337.3665 153570.2583 179123.4774 80870.83237 217293.8128 160152.2761 140079.0271 100149.5488 96499.96239 188621.4408 112092.8468 226523.9275 163176.6256 82366.31434 102112.5181 98040.90646 107868.0861 163790.7649 132899.9696 69705.84291 153844.8694 69884.9908 89089.14434 100676.3938 186759.3163 80211.50465 211974.5685 100764.1279 145208.1904 136873.2852 140387.1261 165088.3935 151880.818 78691.98506 94432.4697 92197.15376 160295.5679 151599.0169 86641.52401 143761.736 160088.9897 128615.9114 134925.0939 189594.2031 149766.2991 137560.0161 123334.4858 168074.517 141305.006 62468.74666 110721.395 164953.4477 108751.121 116295.8115 90745.66719 150709.882 256768.1067 88654.34791 96870.48237 73864.78425 138275.6143 92707.44993 149510.2187 136272.3948 109961.0436 62622.79387 120880.6996 164352.7129 48259.9666 87224.07115 139189.0053 111526.3775 0 0 0 0 0 0 120658.7139 144311.9672 126960.3765 139243.4438 140101.6896 190806.7432 159411.6477 104464.4158 191502.9634 85510.51014 261898.7284 90949.09351 155532.4021 193061.3477 148439.6232 243139.0787 165545.5387 140487.2019 204047.2165 135761.711 183891.2114 105061.8409 171989.5983 158661.9526 170582.8405 235702.9797 214276.3639 129516.3393 131782.3476 133856.933 203085.6992 58156.63579 149559.026 157788.9341 125293.366 114638.949 167284.8277 128055.3783 118739.7329 323571.1642 140820.5914 109169.7158 194253.3515 119809.3378 226732.2829 132773.1645 168027.6458 183430.8866 116454.333 62146.14685 66657.38253 142230.0484 151365.4792 79244.43964 96022.86413 105633.6971 93235.09208 195367.0717 120455.8064 203834.4162 181049.3212 104922.9005 96437.48177 131278.1827 128944.0033 108685.3555 109537.6508 132524.3408 72554.58813 111907.4351 64778.72949 109288.547 114407.6079 67617.22902 128809.9642 141780.5468 121843.4426 104379.048 103570.5847 156298.7183 117889.77 128176.0635 114195.9187 0 0 0 0 0 0 118639.2711 124065.8615 120717.0089 144902.696 143978.706 151715.5649 149556.0963 120751.1175 117445.2792 111564.6555 120914.9221 201644.1259 148572.8625 172996.5643 145140.5409 91931.5854 120332.3367 149876.7817 74808.51922 122963.407 119234.1736 115317.0237 133980.4957 107094.8257 108573.3941 120003.4684 91312.54858 92280.24554 131152.0473 143943.2871 80360.32371 106413.099 99994.42211 138199.2564 75494.68333 102813.3887 93069.30614 115849.1909 169496.1906 99372.29198 137338.849 95106.97293 151928.9092 112656.373 115428.6295 147602.0393 129559.2605 127663.2214 0 0 0 Methylthioadenosine_R2 0 0 0 263934.2265 249076.2869 267136.0945 0 0 331700.8126 388525.826 214517.5375 396603.3936 341844.4305 1109638.559 445043.8875 565954.0462 213770.0861 47294.72249 189088.992 376153.7574 413509.0266 1031633.539 676492.433 1362717.671 1002499.578 400204.1105 156572.6793 802039.2597 300640.3892 1140913.912 1606393.678 0 336306.1264 146169.5749 472369.1385 1330330.211 856707.319 186436.4544 263899.466 110899.2807 536513.6009 1631481.966 364583.9665 465458.9512 649581.5684 277041.1625 293719.2315 1230407.031 1198775.07 1511442.266 226242.2244 1680743.817 1474283.451 251503.0123 54498.87819 459182.8434 351220.2827 235885.3327 291901.4323 1007148.069 281734.7354 648354.1837 483993.7482 424026.2011 293533.7975 201797.8075 418337.1734 302640.4148 261195.7839 121618.9582 292718.8977 274225.9054 75182.51318 254313.7698 428971.5713 371374.8311 267385.5345 63161.71208 372926.9054 1197650.732 219732.6025 328912.9755 329756.4617 381001.8052 66787.39099 345250.8641 0 0 0 0 0 0 155531.1561 148422.5921 158797.1781 0 0 316652.063 320338.8346 246224.7434 825775.8707 830303.6989 426704.6625 199177.8405 1207670.779 502241.8359 131414.5024 258760.7334 824353.7746 325409.5901 703411.0235 184143.0076 1459582.333 86059.22092 274512.0743 328802.2099 251696.2063 413530.4652 333645.9868 1187551.774 0 321439.8937 462220.8699 743494.5483 168244.1863 1075561.434 196932.262 146756.1432 358526.589 1347271.006 581014.5756 286038.3367 312363.015 217078.5785 379477.5728 301737.4734 319974.3955 134151.3696 216909.8431 395328.4216 251739.348 166368.8671 175564.8711 0 356291.9324 1078094.833 207440.7049 219401.0946 585774.5329 224510.7934 414508.9775 391869.7705 246342.9177 207727.567 262789.6297 338696.6406 244032.8399 976903.8275 373599.8473 328193.1586 899423.3832 867544.4445 812097.2129 1467957.726 238679.2218 840826.3434 38608.58931 367669.7939 184372.3944 116578.2739 1021285.48 528531.2251 191717.6764 0 399403.7272 0 0 0 0 0 0 123113.5092 128954.5377 114517.9723 0 0 269158.2246 242947.6449 115767.1914 356766.3482 112633.8289 261208.2503 202158.337 211196.2179 112698.3701 240882.1266 259231.1862 94071.24751 282434.7136 457834.6264 383524.5274 510399.2972 81291.84451 238127.5628 927825.2576 980634.3627 163175.9205 200384.2307 660979.0819 0 276264.1611 333079.4474 98008.13288 221901.9749 0 446835.3928 156089.3857 904210.0078 173112.4628 386151.9699 199929.8387 337174.6461 174135.7015 174517.1725 199935.1288 189666.8799 153810.1933 0 318469.0299 0 0 0 Cytidine 2',3'-Cyclic Phosphate_R2 0 0 0 0 0 1196.780763 30596.24474 31825.79564 0 1194.067984 0 0 0 0 0 0 1893.333047 0 1148.564332 0 0 0 0 0 0 0 0 0 0 0 1274.659808 32703.08135 0 0 0 0 0 3847.740191 0 0 0 0 0 1066.080697 0 30796.0618 0 0 0 0 0 0 0 0 30304.62755 0 0 0 2959.163833 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27685.03228 0 0 0 0 0 0 26819.63977 0 0 0 0 0 0 0 0 0 0 25188.69353 26167.85095 0 0 0 0 0 1778.542565 1519.598219 0 0 0 0 0 0 0 1655.761427 0 0 2156.606906 0 0 1755.361324 0 0 28692.28661 0 0 0 0 0 2546.140724 0 0 0 0 0 1378.548251 1135.934831 3299.045112 0 0 651.8752536 0 0 0 0 0 26547.28267 1437.633061 0 0 0 0 0 0 0 1140.294765 0 0 0 0 0 0 0 0 0 0 0 0 0 25727.85373 0 0 0 0 0 2441.191658 24924.48535 0 0 0 0 0 0 0 1464.768601 1193.606762 0 31445.04965 28790.10065 1013.785663 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27644.1467 1722.791318 0 0 0 1408.050734 0 0 0 0 0 0 0 0 0 0 0 1433.037159 25466.2654 0 0 0 0 N-Acetylneuraminate_R2 16874.41674 3245.779562 0 787935.3106 781229.7972 770526.9929 676270.229 653684.0354 585684.7564 588971.8816 530129.6345 693484.9578 593213.009 636489.644 853066.4211 549769.0815 887256.3889 439658.8047 758420.0276 540943.0315 660533.7364 476915.3035 783347.1889 743107.1028 1010464.082 828652.8958 665865.3851 448114.849 461788.9192 435631.1337 764246.2347 649802.0487 526917.0674 438452.6417 732633.9985 684644.022 495721.2809 459097.2618 1066770.426 503280.2933 591043.0264 811445.2731 678569.355 714841.0202 899050.081 923889.5286 697341.1677 433389.5536 757618.6412 597604.8618 628537.1749 667493.1396 661212.7397 514131.8774 691489.8118 627617.2725 919211.6189 1259572.998 662538.4929 1115256.03 706235.5012 785110.3463 882609.5535 524714.1505 601626.6631 566486.5068 602342.2083 779345.5473 870151.0798 1045937.38 816155.0358 640030.4791 595573.9748 622649.9952 974052.2343 633551.7674 893269.3376 589045.5636 581891.201 524751.2768 461160.924 580336.1018 388820.1942 458317.9898 559542.3408 595308.7513 13305.97726 0 0 11197.20259 0 0 730926.4822 757974.318 737129.4795 605032.0105 585879.4352 659282.1668 651498.1395 491360.4957 892890.8252 657528.5553 771009.864 483982.1784 791852.1222 1041379.197 670067.6854 829068.3238 915766.5463 681845.8662 1232938.588 860109.7043 772756.7325 529509.1492 714632.9273 603057.4164 876473.0365 697743.8939 799215.211 706278.3943 566979.1739 667092.35 578859.272 451797.6226 692567.4702 667610.2341 517438.8062 597223.0923 678018.0544 612069.6608 749943.3088 618787.5327 561908.5011 1012206.286 1197420.537 674313.7234 704809.3383 639174.0086 858845.8298 1012571.894 725959.4528 475413.7778 490695.3863 554509.6089 678293.6004 731381.5846 518495.0234 612436.6793 543313.4974 831625.133 707424.9647 1118945.689 770607.7148 645414.3815 530815.3541 637697.176 644607.6926 718439.4624 600326.3012 731976.5697 753495.2235 533327.018 466456.343 536597.2554 669610.4645 540584.8076 504503.7427 738016.7047 866801.7695 464329.6219 590831.7919 1166438.38 734282.1654 543681.4796 767756.0409 7387.420388 0 0 9168.241311 0 0 777794.8788 775049.2808 782176.0645 645391.3042 634870.6896 773935.0513 716133.2055 697895.7696 861442.1629 803398.0044 961174.1114 901857.7158 782251.902 642439.5724 970888.148 637720.2805 639631.9593 751719.9203 473317.6178 816287.0357 791636.8894 913987.4759 654417.042 661675.1005 650264.651 618552.529 399370.6743 432277.0354 612176.9984 743649.2977 485233.5819 548547.5981 715836.3265 703881.7059 596941.9564 527997.4153 479403.6182 763472.0833 741302.8251 583299.947 729014.6844 894327.612 621514.9245 628713.8021 794493.0949 893352.7692 606174.2116 731931.8377 11929.74496 0 0 Cyclic AMP 0 0 0 291013.7117 274352.9691 283291.8881 76419.3983 75299.34297 281976.0951 271704.5065 263948.3679 271622.2499 199904.2578 236305.372 311604.0123 275544.3838 386561.9599 132563.2546 243786.5017 307405.806 274755.1596 229501.513 186268.5577 345813.3206 244978.2178 475054.0789 383645.7926 143219.0868 213674.1283 218711.1145 313535.6972 87059.06164 303992.6172 149156.0503 265712.0599 228862.4331 264903.1785 334478.3409 311211.6763 138906.3838 332098.3458 288114.0274 227185.724 273243.9416 344760.8662 382891.4815 200252.5233 189973.5857 283195.2404 275941.9614 236209.4398 304309.4147 230093.4987 155235.3338 90389.60447 274654.888 362734.0526 415653.8833 281888.2625 280211.8701 256037.3485 367089.5714 341995.7673 142625.0148 177670.1529 216933.1969 240807.8296 220830.6115 276521.1542 347168.5112 182224.551 177669.3654 209703.5655 192271.3626 314456.4481 187337.6199 301869.4061 74757.69012 228258.5472 162576.0829 218627.3002 277041.7015 137465.422 328472.236 71385.49034 242211.9992 0 0 0 0 0 0 276443.3785 295706.5212 280299.0948 77167.73246 71788.21114 291432.5395 291178.5805 164942.1426 271693.8068 190689.8901 458180.8505 184866.103 408198.8389 440706.2298 209148.5609 360405.118 280842.7925 252166.724 228127.4806 296231.2138 289474.6931 175838.3942 217752.2288 299962.5785 328952.5136 437945.7031 365486.2482 249329.4498 70158.1945 251579.2229 327473.1967 177765.841 319554.4641 257719.1099 195857.9788 209908.6463 467004.4158 243767.6969 217867.3082 478743.1242 238824.7547 338162.7023 388081.9375 231717.5751 215727.4293 176836.0006 324893.9273 332050.8026 280453.8205 178569.3809 186776.1734 68313.41182 234324.5154 192216.0468 184163.7387 188680.1412 187221.4961 243688.4086 274207.1358 381011.189 187966.5942 227302.7827 188057.2489 229511.9052 207471.0077 232716.9385 207835.6819 171686.9713 238069.1329 259067.9038 182931.0962 276340.519 191648.6793 163647.8122 61381.50566 246791.6062 206210.4571 109328.0365 251069.3056 267071.7213 199236.6658 63498.80367 257167.6143 0 0 0 2709.099057 0 0 267260.6642 268692.3465 273819.8744 77063.24073 75976.31312 279945.8185 267379.0211 254700.0069 272056.1264 287338.6053 328267.2699 249816.4902 331431.7519 217298.2999 314422.009 257032.9074 210437.9675 260754.6188 271734.3028 290928.4491 286068.6531 321775.4739 207048.8 189011.6801 274037.6895 206080.4292 149127.459 237531.1949 69185.38724 246189.6049 236987.5548 201995.0449 355669.0116 300852.269 210875.4201 195075.0606 250270.733 179461.8624 286315.9621 210154.4969 236348.562 170669.4083 164923.3686 143521.2631 166199.8653 240895.7926 70597.67588 231919.7589 0 0 0 Cyclic GMP_R2 0 0 0 57185.65473 57498.66382 57891.53294 45080.50234 43552.92486 65870.94883 65652.34371 63612.37803 52285.89914 50294.84911 50573.12587 75569.41332 51494.33521 95929.55134 32209.00476 78002.42114 85061.25842 65816.08155 50192.35785 70996.8138 90610.07903 74129.72744 56752.97073 51606.284 42472.16393 57439.76015 46200.80027 82512.77057 47146.27329 64296.25221 44778.2478 54559.44241 47050.14523 39350.22955 57129.24555 75547.09023 34167.89665 77472.44802 84925.09502 49580.33128 68156.72678 109609.6463 160702.0457 46463.93257 47286.1735 69942.80702 51297.12194 36981.47131 62242.18314 97399.17814 45106.18054 43571.28802 60472.67299 75045.95428 48003.71267 72305.10368 138514.2819 45873.05842 72674.9917 88508.02672 53600.03945 47847.59865 31864.75257 56987.10169 77894.74565 64584.67596 71149.93482 43169.55497 55879.62591 67272.82323 54537.91113 86631.69649 44863.63223 54332.33 40780.10246 56940.89031 55035.57434 47063.28902 63484.22401 45910.90251 99775.3159 35140.00167 55902.05082 0 0 0 0 0 0 55707.7069 57548.53954 53803.80268 41777.57178 37486.5055 71565.86481 71340.83133 51565.56545 81599.02083 63302.09254 81725.39224 55490.58332 76942.3753 77973.05347 45058.56085 112618.9917 83826.92054 64151.40627 77319.01638 84354.9174 75318.9709 49886.78334 63691.71695 56474.19693 49788.19327 65491.3143 91447.4458 116986.455 37863.90387 63407.47304 44069.39583 49027.88082 60810.77286 53840.55149 43737.98209 41581.1866 58274.44552 66475.07773 59031.65807 73501.66869 54763.72075 43998.08933 71826.72133 54579.46973 47783.70689 73161.48783 81425.84502 54820.00225 58343.28776 63088.65397 63450.65 34155.3364 64239.33142 65378.00123 33340.74925 55488.40921 42175.82756 47317.13023 48940.68537 72090.15109 52797.31088 51016.25411 46644.87616 57577.87062 41313.25336 41090.05807 36606.37918 75963.81503 55707.28671 78649.41957 58745.74102 44000.37996 53113.07701 48567.92134 32885.32169 59773.46238 43831.13096 38470.52857 58062.4045 115549.2901 73596.99203 31580.82774 62316.8092 0 0 0 0 0 0 49519.51784 52706.35783 54582.19983 38431.20273 36478.35749 69893.89863 61557.25429 71799.58268 64340.27643 123999.9593 121173.3786 50162.40509 57103.11202 42550.59446 60931.56011 70471.53675 44484.93668 65761.56913 46562.86392 66892.70715 51999.34631 46758.58931 38304.05191 50439.16883 52437.29333 46250.28173 33265.45213 38002.26353 33165.05368 60702.4779 43516.52032 58756.9913 68210.20203 73409.68191 30573.46295 56627.80227 92323.40267 69336.96949 57037.48672 52204.3688 59132.63984 43802.45215 52944.88892 43247.54581 66288.08902 58804.15254 31104.83706 54210.07448 0 0 0 Riboflavin_R2 0 0 0 168345.1157 158505.9145 165984.9571 282540.2282 273535.824 774556.8482 779263.1465 115045.9733 62278.26085 722428.6853 715974.6624 1329909.744 329137.4707 2174306.443 136997.1107 165724.7902 1007028.951 792088.7955 949251.4187 462677.28 733239.1523 1972171.178 260655.5568 202551.5523 2985840.566 925639.0458 878171.3876 726259.8683 271361.5576 853983.7882 333100.5899 732748.681 746838.4302 340340.6261 637559.9202 1195906.586 623265.5378 842902.7137 702600.9893 604650.8148 870754.0798 291062.908 598826.3972 21498.39424 831402.4737 2993727.258 190127.7538 469013.5213 601599.2595 2337119.127 307603.8449 237301.8844 913344.0359 408648.1313 475253.1145 498385.0947 539493.6817 111636.0833 264820.2639 61492.03448 86223.12083 96798.40782 92634.98479 109252.0237 77270.21765 290904.1873 276830.1769 132648.2272 111138.7802 75824.39599 96442.95417 50273.58782 119393.3968 61862.61393 174709.625 135497.6409 126754.5178 107792.4066 317172.184 106913.2835 66168.6098 151118.6986 122131.8828 0 0 0 0 0 0 142286.4274 140376.7365 130089.2977 222196.1192 198773.5258 656665.8326 694446.8098 735104.1565 216268.8195 979103.6881 80677.31675 288201.789 360584.8856 1349766.81 46639.33671 3739828.568 229083.9757 599182.6248 149482.6099 99297.02789 1732582.246 129794.6262 483597.095 132327.5245 164873.3718 86031.58753 714558.5099 1273073.083 194614.1129 649875.5528 251349.5361 292593.5438 185036.4712 352751.1933 434588.9635 534648.8004 461605.3492 342038.0951 2297395.333 2730008.631 626678.7085 1732838.151 217040.3346 1045279.85 262730.1741 383411.5911 366509.207 353459.631 410823.1075 655402.6012 629724.6567 181982.9561 757728.6462 867292.7261 269841.0119 880945.1822 240942.3077 119739.7453 175128.0287 55687.17233 38196.76655 64946.09817 99868.45579 103341.364 145567.6635 50745.4995 486181.1006 199897.6627 58398.5731 106861.7553 57266.63451 129320.4841 44070.60512 137851.491 151505.5684 159166.5939 315747.3364 230930.7286 227188.9027 190964.445 153052.7982 156048.4869 156374.8913 0 0 0 0 0 0 130444.3446 132351.0995 133128.1105 245572.4101 227218.8645 665612.7951 307530.5329 1481089.662 2236009.167 587371.4116 1152427.709 419595.8273 438477.5851 357519.5214 321606.3447 258127.8657 329055.115 634599.2131 236180.5269 2350237.149 746713.6124 75471.18987 308674.0821 651251.2972 1769569.201 332436.5417 128508.443 556798.7151 192162.1997 703854.7937 2313322.464 128250.3097 2358582.19 129491.1306 87543.48936 142669.1373 1627379.046 428789.2258 253964.366 934355.2732 660134.3749 595037.0402 2443165.103 546771.5224 486974.7377 92104.04056 167235.2903 672797.1587 0 0 0 S-Adenosylhomocysteine_R2 0 0 0 9138.913105 9106.684361 9667.499268 0 0 5168.840951 4013.562824 0 6579.785055 3866.836652 3888.938288 6325.202722 5492.081258 6177.852161 4706.587748 4096.452883 5203.339237 5629.95695 2786.455966 4170.142074 8133.954581 3673.162132 9105.719193 5350.575419 2601.908939 3804.275881 2685.837267 3128.034646 0 3953.205763 2734.227377 3712.643014 4160.940944 2421.222185 2704.083332 6462.864108 4299.286072 6835.27801 3900.457186 3791.412368 3753.539376 4421.787752 5918.887307 4416.163004 3620.77695 3535.481242 2720.580871 4823.668442 3116.62198 3820.873271 3045.565746 0 3388.555655 5815.216574 6130.52096 1799.608907 5768.614754 3004.939014 2406.473052 4726.709997 0 2126.081618 2694.456798 2391.881857 2365.726715 2091.247723 0 2478.891845 1744.321703 1959.00208 1727.610439 4844.458943 1520.719097 0 0 0 2036.681853 3817.935716 1570.274739 1382.682649 3444.977647 0 1432.815838 0 0 0 0 0 0 6753.823083 8005.775463 8842.232378 0 0 4766.105183 0 3645.331349 5322.538024 2754.218868 6668.83082 5077.087927 6017.095294 5959.298516 0 6764.814755 5293.542736 5174.943388 5113.7083 3410.601673 5645.732454 3399.370207 5872.330449 8575.301058 6541.355054 4731.842545 5201.879447 5070.344454 0 4118.94029 8761.16446 2273.953589 3700.432709 2918.846496 2938.736266 3610.113552 6011.622817 3868.726383 4175.061711 4873.199665 3818.591136 3296.917469 7295.986395 3294.685986 5026.291397 0 4885.93781 5781.446682 4942.67217 2426.633149 2992.329489 0 4104.224579 4960.504443 2467.976285 4069.778915 3725.272526 5323.772927 2308.783027 4536.79608 3522.626607 0 2353.532436 0 2347.413838 0 3108.374937 2031.526107 0 1249.413978 0 3412.447516 2558.247122 2114.755558 0 0 2301.58897 2165.524312 0 3396.356631 3543.405862 0 0 0 0 0 0 0 0 7827.093192 7500.906731 7944.468875 0 0 3770.521726 4524.768511 3150.399094 2053.588914 5421.349195 6434.632803 6164.469649 4897.483375 5738.214634 7403.335984 4136.841911 4096.563878 0 0 3939.720316 5953.495932 1609.157136 4825.473872 3260.155701 3160.313709 5017.030356 5544.903441 3156.426252 0 4206.577827 0 3774.526332 4691.867713 8010.653912 3314.911628 3529.770811 4531.964238 3806.375098 4405.825108 5078.621029 4852.360538 2941.354061 5038.947764 0 3044.324706 5781.259361 0 3570.259892 0 0 0 Glycochenodeoxycholate_R2 0 0 0 40634.89713 38567.55675 38801.74082 78108.77418 73562.80227 57103.45149 53429.56032 10370.34178 7961.730056 8076.29293 0 101785.6903 13890.08684 29532.24887 12658.03175 32853.30943 9238.200798 58500.62572 0 17335.14375 103743.1284 242219.4198 99325.11031 10400.86749 25570.54824 97246.77841 0 23264.67383 74652.15054 56297.39111 22565.39681 38497.39294 0 7487.997125 33424.83703 126073.1498 135292.686 71296.25382 23134.49707 24558.25329 59549.53814 63626.84733 22149.40916 56153.22797 110279.7407 231615.7502 27659.76642 32530.27575 14425.13392 57937.8287 54780.53802 76382.59374 55652.12321 62730.43911 120442.5839 132432.0372 59609.14231 67046.89863 15050.72625 13951.31001 20156.48483 14180.31091 32779.77205 49370.12463 41424.96632 64580.42064 16331.94296 52284.53712 93144.86602 12443.76195 12540.19006 10783.83162 22268.40182 108920.5973 60879.42693 47666.66397 2468.053404 26342.90921 2785.310193 9904.652891 22614.76171 62523.86939 46704.75952 0 0 0 0 0 0 29216.56191 30477.00333 28448.28974 58263.75467 57638.89161 49205.90224 51324.17456 35824.69117 90179.59069 0 189216.2836 102389.5892 27647.92536 22002.61581 57704.92313 0 93386.79153 51955.09029 28791.44037 12937.20092 13905.69723 27522.76078 10179.10657 103632.1358 71466.95611 229311.4314 67255.84195 11388.55995 57302.3264 49174.88546 0 30711.41569 155327.7389 16762.21098 150063.871 94364.2237 82782.55274 73879.63192 48757.46745 113950.3269 47860.13499 45776.39253 52921.01188 9822.239107 9117.191531 151379.8394 31514.66142 196059.1223 22891.3059 3787.055189 0 58729.3084 49218.37451 10438.46254 79475.32947 28707.1275 32430.72335 14579.24645 9437.959695 47162.69627 21855.98037 24864.11819 10606.42923 47150.72534 39706.89392 80395.93935 168502.9331 38017.48957 17232.48803 82931.55533 11001.45569 23344.17135 0 118639.092 54236.29605 50199.26359 29066.98298 43608.53431 27285.94909 25684.69926 6369.611682 61516.36383 52676.51113 0 0 0 0 0 0 33086.09133 32329.87984 34680.32269 63548.32857 64082.62591 45145.34391 44046.36367 31864.76319 78052.18869 58543.17223 33771.74472 101666.6499 57130.01551 28694.39205 40449.48446 17480.13706 119491.7844 47232.62234 48442.49356 78598.87525 77815.25679 123111.7934 4054.515178 26937.51619 52929.6693 125272.4825 28174.26769 29768.35013 60206.80119 43658.89415 19618.67051 12773.27255 4260.690765 14502.17108 37134.43239 13785.74757 29233.76759 23836.8342 3792.785267 45528.29048 48641.32537 17643.11196 26291.81896 55162.30345 21064.33025 14484.25251 61068.66437 46853.54958 0 0 0 Raffinose_R2 0 0 0 10975.70754 9796.871289 0 0 0 9255.731782 9476.03909 6396.357951 0 10176.02083 9773.826169 11266.31652 0 8471.059319 9278.298065 0 9972.478882 11420.20387 28126.65856 0 10558.48767 20979.00331 0 0 38493.01244 7462.657714 30245.45728 13213.7677 0 13582.6492 38353.05613 14960.45294 8361.969464 17632.80882 34425.28406 0 11959.46286 4570.818956 7696.34102 7260.830043 13993.83433 11518.95421 6552.519523 7019.480573 0 33531.26416 29843.80318 51112.28379 1764.165429 32704.92964 11446.84675 8100.738637 11701.84121 0 0 11769.33026 0 0 33625.90432 10826.3948 13429.58587 17534.82116 44423.41875 10809.35945 9642.215819 3521.994534 0 0 11690.32113 9085.028999 7477.999313 0 10500.83781 0 6701.604767 9992.838061 13168.28823 6114.825075 16929.04056 6254.608714 0 6292.026676 8810.771352 0 0 0 0 0 0 10765.93998 11177.16316 11636.7636 5925.567463 5026.293178 10624.8228 8243.185825 30052.17605 0 12704.67646 6964.515322 4692.900854 0 6328.240593 14574.70028 30371.93682 2213.058482 9449.258768 0 0 18253.73358 0 14561.593 6187.582595 3820.762631 5694.30151 7805.270912 29822.75118 6022.035506 7501.76408 0 20525.08964 7932.102709 11724.67311 7876.274013 7320.906721 0 4919.446154 5908.006657 0 9361.42179 12849.49217 17825.54975 9380.379088 3255.600317 2334.468267 9085.222732 7197.39535 20674.84188 9484.727257 10551.17628 7122.587209 11063.02998 0 0 0 22513.42061 3551.856839 16129.49561 17590.36123 12055.64796 21052.46277 4654.429551 11787.51569 26806.03231 0 14562.9724 24158.15108 4392.706441 5206.530723 23316.9718 0 10743.38103 20989.41158 3741.742397 9845.027847 21529.22824 7122.992799 8611.143394 0 7023.115085 5293.930586 15379.51178 0 0 0 0 0 0 15436.80286 11767.26867 13811.63576 7077.530431 5757.30328 17406.75001 12783.83601 50300.54159 56989.25179 24241.32489 0 9528.090081 10571.67237 8739.626833 0 6140.956699 8968.52758 14947.80285 11806.88756 41384.41752 5758.621883 2088.498829 8143.801454 21947.16482 17594.25581 12471.06433 19251.50454 9261.161365 0 12905.23569 38175.65402 0 15336.43288 0 10958.4282 0 0 16315.7248 0 19359.45982 12688.77912 8308.968566 19292.14263 11650.88236 13946.4908 0 5389.459016 13676.40795 0 0 0 Betaine/L-Valine/Norvaline_R2 0 0 0 8736094.459 7986157.649 8406452.961 19643611.47 19072657.49 11451490.92 11132172.08 15060886.45 18274555.53 12743394 10365063.01 10400106.74 22688818.99 15730678.14 5466230.793 8448045.01 8221542.64 10966616.51 13073226.85 8800760.929 10812960.47 13362137.43 5829331.774 11861007.46 13159576.96 9209788.172 12318661.15 5539569.573 18811799.38 10453722.49 12181480.28 6432530.165 8948496.85 5668471.312 7831652.068 7539580.202 7900376.997 12742806.79 4748923.746 10225375.2 10071232.31 9097627.671 6343905.594 14593597.28 14512304.77 12317690.99 7061616.344 4771874.839 12673732.09 7951018.741 5867717.971 17886419.08 9754259.258 9409839.106 7215053.171 5990713.544 9823403.241 6758015.049 7003177.277 11933646.44 7136672.971 5878136.269 4532720.663 8598567.324 4500786.207 7267440.264 8086912.584 8176152.895 11305248.4 5025342.312 7188678.94 11447208.64 7258595.375 9767983.983 14659715.28 8147399.863 9081411.299 6065085.538 8941475.392 19533309.15 6892312.178 13698820.2 8681374.678 0 0 0 0 0 0 6775008 6983699.195 6769423.066 16617006.71 15901976.29 10414348.32 10163274.19 9983192.185 5584868.482 11278823.57 11916995.51 10041414.91 7387287.499 16331095.51 23728273.61 17177141.15 5569489.838 9487534.009 10531817.77 11041016.47 8797274.346 10572017.57 7413632.817 6307595.491 12213765.62 11378001.82 10241241.42 11993794.27 15918583.03 9855262.118 5641459.269 6097875.419 12005515.21 9194890.593 5569076.581 16842700.47 14545684.73 7417751.734 8806435.526 15227373.56 9156984.823 5482670.717 9788442.241 10311173.21 6803656.145 9392596.622 7864979.671 9699164.314 9268926.198 8302151.026 8602201.026 15977858.71 9380101.378 12772214.2 8427053.42 10069525.63 7881100.756 9514082.375 13168340.88 9801744.129 8759062.219 8273194.865 6878643.286 8862840.296 8764188.56 7968825.013 6007938.919 5001153.149 7075936.019 9934059.625 25263585.45 4690786.787 10240941.22 11092804.75 13811521.62 8594384.839 6125150.438 7650446.087 11154179.19 8557480.08 7238650.174 14590797.96 8932269.601 0 0 0 0 0 0 6096245.059 6144948.842 6168352.81 15962704.54 15030856.1 9585361.279 8588551.354 6721459.372 7437131.966 8917005.097 5581614.683 10300191.31 7104988.564 6571513.749 8081642.977 8389373.179 6171151.422 8185424.53 7428568.767 7735108.029 4552963.447 6623045.622 3382334.649 6615069.982 10331026.97 5669918.541 13238669.28 6081720.052 13990118.68 8524029.811 9986950.31 16024119.08 9774017.553 8942792.083 9175261.975 16842923.57 15349355.09 5074285.951 4520463.587 8709603.294 7630456.071 5727951.303 6839753.931 8274427.124 4463246.896 7292986.6 13149733.19 7192733.86 0 0 0 L-Threonine / Homoserine / Allothreonine_R2 11099.89196 9386.904736 5677.624556 1030531.223 1020339.576 1031457.557 1049368.609 1027979.079 861456.3708 866330.4018 910339.0615 1131472.278 970215.9873 319261.114 788868.7443 1597374.098 2361930.864 705407.2958 2001355.516 765280.7201 916030.1304 803515.653 931767.667 1037173.831 736950.0819 1054057.633 1530920.814 869020.6925 1103055.811 732871.2451 948865.6865 1001548.125 784465.3926 642866.0918 766970.0461 291498.3926 447952.7473 1548706.279 629772.6494 1192558.372 1565123.294 870418.8603 869924.7298 859604.7829 767495.2004 1127003.81 1156091.5 533594.8957 646475.8635 1278789.347 1172887.564 846032.3905 1012837.168 407950.2011 968951.4403 789718.1805 518145.6369 591203.4596 876060.7499 701479.3462 670142.0945 785727.1702 632799.9185 911386.4191 648136.2549 1066862.955 763991.0679 618405.0485 810746.5902 553707.7321 471100.411 623383.4455 859314.0865 376182.2626 654088.2237 717931.0148 535547.8615 894298.6354 779394.3603 489856.9639 630902.3385 869996.3977 1652012.059 792393.498 884938.3987 755042.612 9576.575037 6796.713037 7881.470515 10417.00743 9879.319508 7938.846556 908370.6419 874526.8578 876233.4578 857920.5104 842556.2899 812462.8572 809817.1171 861653.3449 439625.1278 513974.273 1517018.87 551647.0135 898673.6227 1063239.249 701272.9767 873593.238 439092.1556 794757.665 594139.0216 982211.4069 880499.4511 683599.6553 590232.813 759405.4955 758500.5821 1393634.548 1100085.83 690322.9103 747344.0934 757703.3668 988950.3466 421246.0888 1188720.017 386179.1029 493998.3508 1293096.139 2119618.851 747687.8975 381075.9369 649131.184 625935.4412 424269.0404 796346.8065 631967.0873 634257.042 1236794.102 863918.7775 797932.5211 217516.0561 881207.5307 941623.4766 729636.3419 726077.8064 791061.7057 619974.944 887661.2338 850891.4862 377912.6376 634200.3673 723525.8377 347218.7944 555685.8952 1219317.586 657314.3895 1106755.642 727352.0078 484198.8248 480405.6188 573725.3429 474138.2057 596492.9236 1248612.634 528840.6405 737780.4366 721281.206 326206.7693 701734.8608 818539.5684 1183799.464 571267.4963 615141.3459 739544.1288 836703.1279 13392.23441 10453.19166 12663.57168 14689.14747 11945.00843 12127.6891 986548.1798 990466.5968 993844.5779 1000199.07 347275.886 927141.0116 915243.9465 625275.9319 777854.6937 807959.7678 496429.6751 657312.1893 767600.7894 984847.7251 842442.4826 1421497.751 879503.2205 962281.1736 739802.1373 835437.9466 497259.6488 1497632.154 847133.8999 572745.1363 962708.1529 802731.3608 1117243.794 757601.7456 937705.9485 405650.9789 824532.2045 1023132.351 784323.3646 849044.6673 539898.2539 991843.9586 938900.1375 868236.8827 670988.3467 1027845.048 910768.2361 563236.6936 595269.289 397794.2352 900007.6418 887402.5059 878197.0842 873706.89 15633.81511 10462.35493 10161.22252 Hypoxanthine/2-Deoxyinosine_R2 0 0 0 4342254.655 3964963.121 4166547.116 4217171.76 4178392.093 7400083.768 7145083.12 7237350.855 14736775.95 2508177.79 5544860.1 8808359.925 7806779.707 7459189.894 2335793.921 11788429.14 7965544.215 6993273.011 3449600.095 5145915.309 6527520.733 7720144.931 16167214.63 5767484.455 2385021.849 2011994.626 3296155.842 9820332.346 4338442.507 6792013.215 2910884.155 7494333.655 4863454.276 3955491.952 2933434.009 13980147.85 1964281.561 10795741.53 9234342.112 6217537.461 7377558.764 14274493.61 7834906.464 4453584.294 6347136.106 2527852.83 5505648.475 4482059.834 14822490.97 6707508.818 6377797.747 4364141.668 7177996.22 5273071.122 9887748.448 4618790.595 2923127.615 8425791.055 10622097.62 8075020.949 2117988.64 3162765.894 4274284.739 6110623.336 4074755.891 6829454.382 10317730.82 4930501.777 5375641.326 5392798.409 3911443.02 7845529.799 6476914.133 14320121.7 3447729.884 5569628.701 3722425.347 2747568.439 8052906.936 1727361.418 4924637.971 3442657.943 5304835.783 0 0 0 0 0 0 3479977.799 3517576.49 3504509.283 3428677.645 3287543.789 6806918.617 7189706.381 5501621.941 8619202.327 4381866.657 16485933.96 5555956.828 12679662.95 9657051.237 6078127.153 5316130.965 9081056.297 6395093.945 9903691.769 12947139.16 9767638.961 7991539.446 8781250.518 7317102.175 15090055.29 16112518.51 8188222.264 5938687.896 3462777.781 6552150.237 5852465.536 3055568.163 6590751.637 4901474.387 3220336.041 5869151.715 14389985.28 6135762.561 4297080.798 2431344.102 6079512.228 7353773.347 10955336.85 5763739.944 6564511.782 4932439.916 3810294.08 10677855.65 5928273.656 2388738.409 2280080.681 3628403.388 6717102.437 2961263.926 6677701.559 5025884.386 4384645.987 6564899.789 7409681.92 10601467.9 7997909.018 4983992.601 3425134.986 6257646.22 5655074.425 5110631.936 3247421.905 6086125.334 3378355.651 6670745.377 1933795.211 6026504.927 6442190.967 5004748.268 3196729.16 6300091.197 8767019.004 2488428.698 2740027.891 5243379.606 7019183.922 3270351.341 6925777.894 0 0 0 0 0 0 3059966.527 3199187.248 3234816.381 3604239.843 3567746.622 6411382.73 6063454.664 2479407.459 2593042.491 4301136.539 6349542.338 4882123.896 8386134.967 3540541.747 11988958.15 2591671.749 2372501.122 5952867.507 4479212.462 2542361.525 11434621.51 8085263.892 5492780.932 5134578.567 5665484.201 2379816.808 3031019.274 4198872.081 2839095.659 5632111.95 4836301.138 5170166.378 6608367.259 3087479.258 4215378.427 4903742.941 2258633.253 4611101.46 13832077.76 5696879.167 4886165.179 4464053.695 3796157.866 2686561.006 4704491.928 9271056.249 3161393.463 5294033.874 0 0 0 D,L Glucosamine (B) / D,L Galactosamine (B) 0 0 0 0 0 15695.36296 13776.89806 0 13783.48211 0 16728.36759 0 16363.36928 38557.21523 18120.08322 22381.83784 10725.77673 12760.00709 0 0 13373.09925 29158.9828 13962.59128 0 37972.18182 15144.81299 25004.02759 0 7409.728646 0 49939.16555 0 11915.86354 12731.21903 23914.46769 35904.55016 21842.61425 0 10392.47486 0 21007.0425 43590.19818 0 13222.2722 40350.04063 16690.9694 11111.16059 0 43567.84392 54361.45531 0 44272.48141 47858.06692 0 0 13754.16137 0 15536.22619 12897.09854 0 0 25312.28705 12556.90573 20361.31761 0 0 13355.92993 0 0 0 0 0 9956.463734 8649.877771 0 15860.90827 11541.04535 0 14948.9982 0 0 9399.057051 10922.37626 10955.45225 0 11513.9297 0 0 0 0 0 0 0 12072.42249 0 8891.103568 0 0 13631.48282 15312.61271 11718.21977 0 19802.28624 10703.68316 0 0 14749.60739 16269.08362 0 0 0 0 57167.92707 0 0 0 0 0 0 43492.6276 0 12958.64962 0 30484.38114 0 22171.44508 0 0 0 39769.70299 27663.0376 0 9025.957416 6923.151468 0 0 0 0 10653.81259 0 0 0 0 0 0 0 0 0 0 0 13350.2791 0 0 7397.557746 0 0 0 25871.00594 0 0 0 43886.34145 28480.25355 48640.2606 17225.35369 0 0 0 0 5737.585936 32877.46482 9589.837391 0 0 0 0 0 0 0 0 0 14088.93977 12882.63635 0 10176.94939 0 16177.96791 0 0 0 25879.53944 0 0 0 0 15651.41416 13962.74849 0 0 27657.66133 0 0 18287.72496 0 38237.30932 0 10838.06373 11580.97624 19383.81065 0 0 0 0 0 9743.945115 0 19436.20517 55621.99658 0 28850.02699 0 0 0 0 11835.17535 0 11400.57112 0 0 0 0 0 D,L Glucosamine (A) / D,L Galactosamine (A) / D-Mannosamine 0 0 0 103910.7449 98014.56187 73480.92369 70128.70029 64996.94592 51749.0569 70133.08235 82759.63304 190971.9701 37314.89471 114697.7712 63879.55462 50955.61685 39608.5098 46348.74071 96516.0304 89654.38901 53362.5686 73051.22882 39970.1453 75755.94378 75558.30753 38787.82213 98647.97064 68544.10321 30058.68587 100801.5955 94553.33132 59498.52756 40415.04708 58800.78572 109199.9902 120386.648 46989.85788 49797.13693 39263.46104 22575.13637 48945.85235 80783.66035 44044.4061 49397.03988 87254.05729 56447.42531 41000.9899 128142.7307 72041.54525 180030.1291 59627.64546 73297.71542 176307.6567 79827.92873 61270.35935 48895.65085 41137.69524 56823.82533 58701.25779 45064.07991 55301.67227 67067.46324 53998.16912 69661.33585 42596.98417 53304.32246 48553.55631 56773.89973 53738.07416 44057.76759 123302.2834 43283.25193 36108.21747 31557.97805 52078.64646 71155.91498 41538.83704 52402.28301 47579.7816 75993.39961 136500.5006 51420.47107 26601.25702 37052.21413 47339.14075 42401.12366 0 0 0 0 0 0 60472.48771 59214.34628 58245.79359 42107.88731 44567.60437 74041.82089 48117.11555 82848.7012 37276.80107 84015.78911 67402.25018 34334.87016 237707.1093 144731.0714 57555.72924 65617.7417 53529.38491 66587.55875 119198.743 44822.93083 124151.3232 64646.97347 86112.56574 55329.84999 60869.00698 78079.92104 77014.58279 96673.98348 41469.47283 43520.91571 25921.26122 119151.0689 104748.8949 115560.232 22957.35913 73937.3695 66989.44824 83705.48812 48436.65753 9567.501093 29671.6471 23557.34494 32487.61844 69119.46437 34336.65749 29772.75112 45230.72852 61349.39558 35968.03617 31843.67805 31084.53377 40046.36005 64633.86889 48300.86403 32498.57332 56706.14384 60666.00845 54039.68286 53494.76123 25803.12429 49565.36481 23421.34523 27893.89515 53107.10004 84678.17549 79247.30124 36482.00782 39863.68513 88660.97216 77642.69718 103004.4002 88846.70742 64630.75476 129557.7199 35655.69662 67893.71754 61257.52577 21448.30035 69598.98146 28932.57723 60230.27765 36999.92979 71939.80193 0 0 0 0 0 0 66182.2943 65885.31179 64174.49271 57005.61601 58067.84098 56159.25079 72809.10505 150096.7732 136897.4373 134382.2594 37268.28898 61176.1461 59960.03655 151012.785 57610.26144 36186.10929 53338.04818 82691.72517 87622.49444 151618.8442 64891.99097 59079.31194 48668.92356 242690.3973 155217.8693 52588.72784 57737.93822 48092.07567 49691.4135 73996.4336 81292.94954 92633.70247 140181.5761 40373.89338 41922.05961 88474.57305 223150.2107 72549.75274 70568.65503 58514.37055 73615.98481 102256.4858 77732.92659 50044.58429 75560.69655 34916.03023 44667.82083 60776.27279 0 0 0 3-(4-Hydroxyphenyl)Pyruvate 19388.4554 21062.94995 0 66694.42671 25954.89966 29632.49059 58103.66638 67353.94218 0 0 43529.07299 35758.57492 0 58499.76637 126433.6565 42697.62333 32419.4467 78302.21813 331652.3335 21237.18549 30594.69337 199007.4489 0 0 33268.43236 28670.68917 6710.557945 0 355320.2955 62785.85917 42896.84293 82315.02154 43174.84473 46743.29411 63957.02363 165324.8789 60457.51586 320265.5379 146857.8983 308670.7315 19397.90367 174483.682 205313.2674 42506.09959 101409.9833 27001.59429 665115.6203 0 95075.50164 88807.43763 213038.2522 31684.99571 40659.6269 81807.46325 100125.7181 66838.02524 44649.66857 26868.63601 472781.8077 121359.3469 143822.0077 141003.3944 53354.4341 90797.78281 124512.906 524986.2249 166079.7803 356801.298 162164.6964 56076.4296 18992.97934 89559.97755 379215.7916 123142.9806 42228.41755 79660.63209 493935.7285 98379.30633 28464.89039 58599.88279 80471.34367 47864.31923 105054.3428 103034.4383 88288.77393 24168.90914 47567.72879 53531.10033 53056.19297 0 0 0 0 0 0 0 0 0 0 0 0 0 7192.865604 7212.67079 5902.853423 0 0 7383.348189 0 0 0 4962.594414 0 0 0 0 0 8292.711082 8061.801176 0 5153.350654 0 10212.99434 0 0 0 4102.453886 0 0 23797.27452 0 0 0 10264.99131 0 4732.951052 5366.67282 0 8972.170492 0 0 7517.495756 14601.93881 0 0 9946.72996 5939.268944 0 0 0 0 0 0 19785.82663 7567.958099 0 0 0 0 0 0 7557.412333 0 0 14430.49826 0 0 0 8897.168062 7926.598981 0 16694.53999 9059.70491 15419.17239 0 6718.895136 8173.406826 0 0 2582.646472 0 0 0 0 0 0 0 0 0 0 5390.528757 0 4280.714791 6510.392964 6355.251896 0 0 5266.034966 0 0 0 4725.425221 0 6412.474581 0 0 0 5764.442799 6292.828008 0 0 0 0 0 0 0 0 4900.880446 5862.251303 7950.162109 0 0 8048.05041 0 0 0 4963.893677 0 0 3614.300558 3125.822821 4256.953938 D-Mannosamine_R2 0 0 0 14654.43887 16272.69514 19969.19537 11813.49578 14117.3452 15256.56003 14711.81032 25319.28306 43240.39541 15251.48352 37178.58041 25914.83695 24174.31153 15863.99564 13071.05978 17066.63029 23897.34513 19554.92039 30796.87307 12324.79071 15483.60042 37859.05652 11859.79328 33045.44252 23721.21799 8162.575252 35403.35185 51449.76647 11936.89611 11299.86274 15172.05071 24647.64115 41499.99715 23096.87487 9229.801525 11144.78083 0 22861.02483 55384.16196 5929.801488 14558.63905 41033.01802 15341.57098 13133.11912 45169.02617 45423.1222 57459.18143 18684.84914 45574.3823 46480.43191 15354.81343 11698.17898 11768.9389 6880.343615 14228.27495 11511.34394 7512.938273 12624.85418 20679.69158 9546.828323 17490.81945 7054.914419 10317.73249 12053.27651 12438.63882 13253.65845 12615.38369 0 7967.392739 13134.40034 6605.789074 10128.50849 16493.93966 14984.43217 8264.444041 11720.82703 25389.82224 0 9989.385561 13286.13847 14330.07547 10999.72178 11193.05993 0 0 0 0 0 0 11572.96744 10383.5297 10737.87345 8924.469012 7402.805607 20988.45801 13544.68025 15411.46516 14232.06899 28533.41812 18453.6484 13577.89379 67295.51539 67144.21551 14429.50492 17959.37962 11442.36859 20571.68089 53137.53249 14085.12082 62455.08434 14989.1971 31434.10904 12608.77209 15723.59975 32024.45215 18259.88857 47447.77327 7967.340622 13224.85319 10481.49635 46550.94318 14576.74086 28589.88146 3902.074513 13211.20733 24042.42889 47458.11924 29245.08184 0 9104.06394 6816.565315 11831.97373 19106.8015 8355.637307 7069.069695 13846.29079 26821.16197 11679.18222 4431.50755 4167.643273 8162.471428 15505.86693 31923.91662 0 19222.44563 18028.38424 12048.11019 22110.48854 9393.364887 13158.17636 5561.454379 0 12144.39581 16874.97545 31078.66219 7362.040912 8618.626341 48761.75915 55632.16536 34493.20667 58948.48242 24171.0943 46095.48946 6823.176948 18904.78722 19305.60023 0 46842.16305 15643.98542 16060.2478 10078.36316 16266.9531 0 0 0 0 0 0 15001.74102 14643.67906 18519.36793 18190.51934 10234.48563 14279.4833 15525.12548 0 11754.34971 26397.76842 8576.291649 9763.35346 17094.58954 14858.89751 12350.75507 13700.44298 8518.067354 17665.31678 27432.20786 11203.90915 33821.74596 17358.93645 10168.91502 43079.76129 47485.71353 10075.18258 11557.41879 19370.06905 9059.537806 19183.29736 21402.1455 22923.37594 13113.6376 11437.70648 18859.96514 24520.19126 67388.30429 19451.52204 28984.75912 0 15893.10565 11830.36378 12289.54574 8414.256723 11789.83939 16388.77999 9400.530108 14308.60876 0 0 0 Paraxanthine 0 0 0 8837906.703 8664804.753 8890687.703 4821988.121 4880091.962 2184305.275 2126173.024 351674.4075 4184589.48 2286576.986 1182694.318 1047998.532 909677.1372 3196616.533 1099212.76 1202857.428 2324465.005 2249590.147 2794873.164 811717.6154 3179402.909 686180.0361 374364.9044 3998861.307 373956.6813 1442924.72 2790580.522 4665504.922 4653314.279 2036202.012 2846737.062 1651186.291 1127649.913 10006090.79 14051207.11 459083.6643 585618.9148 1153493.772 4442174.614 3070108.25 2185567.86 319932.221 2689050.794 957606.2636 1130409.565 1384243.468 1525804.596 5215419.77 5381807.501 364440.7168 1731893.985 5125224.091 2097101.055 2358534.102 2839219.969 239811.1897 160216.0914 1886615.891 2082057.686 4023647.959 6083210.827 2286775.179 4592904.973 1887288.81 902384.7111 2398918.425 1369360.817 77647.18873 1710110.982 3484721.017 4248854.803 3636142.79 2841700.88 907423.1626 4069646.65 1892638.111 0 3704279.604 254344.5184 12498.56354 19628.34449 3882698.849 1796990.337 0 0 0 0 0 0 7739163.708 7886139.314 6994838.202 4101124.469 4078778.128 2232460.72 2294408.386 1062094.833 210775.229 0 560981.8653 8634992.2 3912443.726 330542.0369 2769770.757 1494491.542 216453.7709 2228378.513 1409911.631 9524.239962 1670892.046 4893043.299 1330931.979 441701.1115 2404067.721 572753.876 5670932.369 4270987.942 4220509.772 2313821.877 2054951.885 6107218.312 2662582.1 1531597.122 273176.0318 1944258.153 4158671.589 0 2856055.51 8531665.809 2072992.357 4153122.73 466634.0012 3047830.478 0 786487.1986 2477615.108 7620436.156 1310860.413 288311.4826 304014.2381 4250227.278 2237734.65 6519615.669 1542121.878 122971.1697 44615.3062 0 5098209.45 453157.1413 223832.5075 1097012.432 926325.2943 2133628.459 6226957.972 776195.6285 134164.329 4163130.516 1878153.367 11904401.67 1023080.724 6194209.468 1276445.716 876920.4962 4092761.58 2225358.607 1267442.926 0 10353659.86 47348.81784 2234259.673 4154264.597 2437643.506 0 0 0 0 0 0 7284517.258 7372705.692 7738834.78 4865774.357 4345379.263 2303163.075 2156039.462 1975815.201 882090.8661 0 114737.5145 2121003.354 144851.638 7474726.609 2869075.625 3957529.334 2550118.314 2241847.892 0 974072.0654 111760.2794 1372400.901 857145.9168 2349417.527 1515079.062 2559869.131 52776.2525 0 3633799.029 2036267.974 0 867885.1208 77345.70664 2893015.999 707914.904 882757.9195 2875769.743 2116058.576 663916.8645 1860649.382 1938669.193 1862269.938 865878.1148 376192.6408 2024921.357 0 3343146.01 1878592.883 0 0 0 D/L N-Acetylglucosamine (A)_R1 0 0 0 270363.5797 267483.1041 0 0 100352.4075 363500.832 361737.5365 303086.3589 515488.8124 367552.9273 249274.8758 424850.4538 307859.3997 376044.6453 268523.8056 335472.3933 338650.4464 408878.3524 324355.1298 323080.2456 432886.4601 523043.4301 405450.6667 670281.2005 542078.9452 313339.8199 404404.4368 401917.2488 111451.9574 396935.5458 225974.1428 375275.9793 273510.9507 240466.0321 0 383496.438 309059.6561 410521.009 300463.0923 344080.3003 381013.3561 334186.1943 246443.472 305876.5228 271366.978 311399.4075 371991.3027 498080.889 330893.8603 367534.3703 266935.6263 111405.5342 394832.8552 581057.2209 597119.9529 0 457817.672 451977.6052 322284.8237 393145.1477 374661.1981 316950.5217 503920.4158 344631.587 216427.8527 360123.8967 361794.3213 389574.7068 423597.5425 284633.21 380040.0435 377622.039 275729.9822 379506.3002 95950.78548 336139.0792 311985.1532 364803.9577 284387.1338 204330.7604 380377.2127 0 349222.9214 0 0 0 0 0 0 251471.0512 259058.6671 247690.3135 91751.51382 91151.29925 357785.7409 355448.3985 312207.2309 387970.9999 318132.6047 330919.8063 275698.7853 348633.6026 356049.0195 274801.036 356956.69 389559.2037 330943.5724 401821.1477 291464.1482 358178.0853 262071.3619 377295.4269 392316.0869 362458.0605 306512.9909 413136.504 470282.2096 87367.07248 323861.0104 208864.275 268103.1225 370292.8466 294228.3616 228963.9379 375611.1329 413074.9569 417977.7208 238346.9541 531863.2214 309981.6897 236623.1294 388333.3535 294414.5648 0 303049.8567 399693.6212 637181.65 370214.2997 219705.3561 211296.841 0 320956.3403 344814.8935 208990.6964 254194.7583 332334.5644 299120.454 318164.9976 400012.73 221061.1003 330671.8947 255024.7428 299520.2436 365263.4757 312472.2556 275689.1958 297135.9123 240507.2842 372821.2063 303448.2748 332420.2475 350318.3469 288955.3153 0 317327.8939 310709.9173 191997.2516 351991.4094 437175.422 340808.9148 0 341707.0475 0 0 0 0 0 0 249931.291 252437.6941 255935.6598 99728.21844 101900.2519 341227.0168 331414.9854 296290.386 367647.9703 310875.4703 209797.9639 365023.4126 463196.819 382686.291 575759.4357 301114.9452 300565.9215 342203.2035 385137.1873 396970.0444 319276.8796 326756.9084 207807.8756 313576.5718 288662.0896 299011.5009 329302.2698 393409.8353 95359.11335 344940.3734 280445.2257 368757.5979 322464.2941 345772.7684 279645.5456 319681.3148 289258.0471 207514.2495 362547.2481 360442.0498 344785.6865 576620.3879 259063.2602 232698.5461 210088.7039 312795.2874 0 324447.7207 0 0 0 4-Pyrodixic acid / Xanthurenate 0 0 0 394402.0451 392122.3101 404652.0808 443376.1192 461072.9514 356111.517 351211.3515 286335.8353 202041.1966 517918.3467 198615.0202 507011.2973 424050.7814 426080.5305 588121.461 522065.1854 349657.6201 387347.8956 308359.6533 764376.0372 361832.2069 343213.2424 327008.4289 845670.1646 1066003.694 681290.5985 295060.5602 307333.1983 423743.1083 349804.6261 557934.3316 187036.1502 176060.8156 244645.4114 224531.559 393013.6258 690069.9118 358821.1831 301738.7696 662921.964 382839.164 226409.8825 205199.8123 165146.8723 294014.4832 243857.5189 297332.2388 491453.8008 413546.5158 310525.2134 372790.0189 476404.604 388126.7391 354579.301 244795.5792 228410.5768 321346.9444 556759.7218 437422.4849 141659.9089 283109.0833 688360.8738 436452.6874 340641.7544 164091.4926 183955.3684 222198.547 528324.9985 203900.5732 215221.4852 224694.0679 119983.0256 330472.5025 562836.2266 363367.4735 319290.2657 335813.7652 343900.7338 450215.0229 396262.6612 422898.2851 348142.9619 284237.1664 0 0 0 0 0 0 309780.5278 340027.697 310119.4796 371409.6671 374653.6668 360612.0057 369339.4837 668723.5425 420077.7811 431731.0318 226508.3236 532684.9844 349371.2336 497401.6683 264387.2707 181612.9389 426865.3411 340347.6406 291552.2265 155454.8204 197247.9786 462443.5533 537039.3476 328710.5821 528926.2514 222620.5524 195684.6921 440452.913 387436.4251 353859.1747 369320.7286 426811.6075 243897.9034 322214.6299 211879.0482 264670.7634 309040.1767 309540.5785 308602.265 580671.2128 326013.7762 393072.5657 296555.3611 282208.2871 402371.762 412989.9459 470585.8348 248605.7867 338388.7413 611520.3997 607612.4998 381120.0179 354449.4388 923581.6061 563865.0207 191468.8719 338429.6134 300869.9656 219677.4453 270055.3987 488353.7297 299059.8122 587768.3484 334126.1437 268035.2478 299493.83 331742.2084 282864.1317 318486.1895 161978.0052 167534.4066 426135.6878 240830.7005 350166.5767 379118.6612 336636.7685 276205.093 1081418.153 254083.2269 242465.0348 245520.3628 386233.4236 390844.0344 0 0 0 0 0 0 304957.6605 304698.2685 311039.9952 374774.156 353320.8537 324196.6372 305474.5732 216436.4478 243798.6171 220145.5804 370279.9721 358643.5167 582242.3266 637918.3088 432957.0722 455222.2734 545302.4532 311373.6879 248197.5562 260838.6006 359039.3781 240874.3347 385781.4727 171234.6133 308660.6854 515933.5384 465186.15 427544.2343 331256.5182 303051.7939 380504.6795 195835.0421 314447.5367 403326.098 281116.3529 200231.1151 331722.9852 170041.4801 400843.8993 219045.7521 274938.6472 285841.623 163635.2014 188205.8944 168714.526 482088.54 290877.4788 308409.4136 0 0 0 D/L N-Acetylglucosamine (A)_R2 0 0 0 0 0 0 0 0 60387.96872 70739.32427 54466.23034 92687.73814 64889.46205 88435.25587 71702.75387 63474.33129 69941.08739 51869.43505 0 68997.1112 0 78279.83029 68406.04315 96268.10978 104823.29 64989.28561 98400.57229 74769.64729 61803.45631 64582.84087 65588.67256 0 78726.96303 40583.16064 77736.81651 47811.45802 42840.99069 47420.42953 70554.26933 70665.84512 0 58485.47902 58327.55894 74787.85558 56886.89999 42567.7461 66858.23176 52052.54452 67686.14707 67578.99278 110444.7305 61135.78274 87334.25558 43703.84816 0 63345.69945 105699.7726 113908.5097 50063.00211 75622.63157 88627.28117 63652.13703 0 68667.38305 58314.46407 96634.46769 57995.21901 37629.52439 75557.89406 64279.71369 78820.96513 84103.41314 53901.19585 67514.91835 67639.84253 51994.79818 74512.43413 0 53806.70469 57551.94365 64346.73948 62220.70669 42875.57983 74101.34602 0 67571.86621 0 0 0 0 0 0 0 0 0 0 0 65214.44891 60865.25277 0 67599.42824 58213.85651 0 48319.33264 55558.17889 58885.33848 44214.63012 0 95561.08462 71110.53571 63468.06839 40746.9393 0 45043.636 59421.26167 64614.73037 66899.14319 62955.49352 0 64303.49 0 57022.98027 0 46112.1427 65406.85157 41435.03895 0 69701.71681 0 80228.05323 51109.74681 93700.12522 60583.25496 0 69720.80235 0 0 52096.18236 52806.65512 133584.7267 0 37426.4086 40883.49171 0 0 0 37426.62317 55922.20676 0 54682.46323 62911.74421 68865.2247 38672.72199 0 50382.53572 59574.36481 67602.06049 69900.12576 38293.78136 0 49659.0745 77040.41344 68398.69769 52927.88911 51961.2503 60844.69112 0 58683.60078 68527.45396 35959.15447 88087.20335 66933.42622 0 0 62892.74111 0 0 0 0 0 0 0 10688.68645 0 0 0 64347.84596 66242.48379 0 75273.98067 0 0 0 57515.12585 0 96079.299 49098.42939 49733.69824 107151.7268 55443.95698 81161.90965 58782.27661 69337.21579 42743.19412 59194.9444 45670.46173 48336.35732 62851.66495 53501.40899 0 0 41387.04369 61123.76203 0 76806.93446 67318.74038 59682.62502 51515.22407 31414.06391 73197.81743 72182.03153 67049.1741 129912.7611 0 49512.51865 35454.99714 93784.30029 0 74596.63635 0 0 0 Sucrose / Trehalose 34787.1354 35124.86232 38142.00042 162042.4158 149231.3546 155119.1002 131679.0517 126648.2642 292734.949 501698.3727 57799.67912 568733.9238 221352.5688 304935.5545 213343.4297 309370.4837 139147.2417 312057.1114 15126.72713 605226.3122 269249.6978 536569.2837 0 172850.2288 283791.9489 190440.1546 31012.86357 258366.2341 75250.30328 548419.2513 148939.1294 154702.6632 655947.529 74344.85458 400430.2998 291639.9888 694545.4893 354973.3773 49165.94607 160539.4403 158154.4509 137235.972 121537.036 258150.3667 202681.5448 232544.0291 420785.2298 565019.9178 410668.6094 457872.2057 182672.0415 122467.3991 352653.6893 106502.6881 163441.3828 427469.4271 271679.5908 148009.9831 75596.67708 221190.3996 37269.43819 362235.6291 273237.1379 510990.1158 139987.0789 155972.2323 205605.111 254276.0952 110936.1152 95250.17673 153385.9082 249617.3979 114017.8856 302261.5282 226245.6353 179201.4389 53464.68356 119234.1766 168843.3961 223760.5157 110880.9983 351363.0442 43427.34592 50548.14191 110505.1583 181485.5709 13424.6539 17694.51178 18807.62406 54170.01248 59560.47908 64588.93902 138541.1921 161904.4827 137471.8165 133983.8776 141853.492 163707.689 167382.0701 260415.2597 98450.70489 0 19620.01909 65888.51126 107955.2594 123524.2785 96205.13612 300498.6138 101645.7883 144092.2096 62159.94253 0 142595.2463 143026.6031 239543.5315 112091.986 194410.1889 18958.3087 93380.01687 302630.7134 240941.7666 135680.0581 0 206386.1932 124430.4937 314488.8195 336570.41 84290.42361 0 156498.5606 137635.7575 132964.734 247086.0342 0 216034.574 115056.4995 63503.69207 46166.99508 151735.7175 0 105883.6234 0 34998.57601 132833.1018 151344.6088 186740.6786 43582.06532 49155.74023 173115.6753 31619.68036 328583.1036 284253.9138 282045.8153 115875.3492 0 176599.8205 150517.6102 29232.43363 134891.4869 134918.7295 149092.4938 290616.2348 237446.0385 100870.1926 126289.4507 204098.4283 117528.7056 135252.9654 0 70418.43408 328578.0774 129395.8903 125324.615 125076.6395 141224.6973 46558.02134 55038.92209 56659.13464 57856.38654 70923.77802 72832.33773 181818.3517 132208.1487 134016.405 134146.1975 126820.7807 202776.6267 300184.2329 142377.3217 242073.2648 236068.8746 0 42002.7481 231594.1279 233121.1089 46179.31131 234754.6082 115875.5607 155949.4021 273440.9605 250228.487 133558.8009 66558.18599 165577.7849 205413.9494 243214.4921 120184.081 124723.7202 230508.8694 127591.9144 167811.6781 285030.9379 29034.10554 118772.869 47655.27032 167963.4068 28736.0527 212898.6474 274213.0745 28427.24838 173303.8917 148255.8383 94626.80896 136405.4157 158318.2575 192550.2706 16178.29381 122999.8178 155148.5985 50283.85952 58576.742 69133.95861 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name mz RT_sec Formula Mass RT_min Adduct 1-Aminocyclopropanecarboxylate 102.0553 500.4 C4H7NO2 101.0475 8.34 M+H 1-Methyl-L-Histidine 170.093 747.6 C7H11N3O2 169.0852 12.46 M+H 1-Methyladenosine_R1 282.1209 520.8 C11H15N5O4 281.1131 8.68 M+H 1-Methylnicotinamide 138.0759 534 C7H9N2O 137.0681 8.9 M+H 1-Methyluric Acid 183.0519 290.4 C6H6N4O3 182.0441 4.84 M+H 2-Aminophenol_R1 110.0604 360 C6H7NO 109.0526 6 M+H 2-Deoxy-D-Glucose_R1 165.0758 409.8 C6H12O5 164.068 6.83 M+H 2-Hydroxypyridine_R1 96.0448 122.4 C5H5NO 95.037 2.04 M+H 2-Oxobutanoate 103.0402 53.4 C4H6O3 102.0324 0.89 M+H 2-Quinolinecarboxylate 174.0583 73.8 C10H7NO2 173.0505 1.23 M+H 3-(2-Hydroxyphenyl)Propanoate_R1 167.0707 46.8 C9H10O3 166.0629 0.78 M+H 3-(4-Hydroxyphenyl)Pyruvate / Caffeate 163.0392 47.4 C9H8O4 180.042 0.79 (M+H)+[-H2O] 3-Amino-4-Hydroxybenzoate_R1 136.0396 312.6 C7H7NO3 153.0424 5.21 (M+H)+[-H2O] 3-Amino-5-Hydroxybenzoate_R1 154.0524 297.6 C7H7NO3 153.0446 4.96 M+H 3-Hydroxy-3-Methylglutaryl-Coa 912.1591 740.4 C27H44N7O20P3S 911.1513 12.34 M+H 3-Hydroxyanthranilic acid_R1 136.0394 93 C7H7NO3 153.0422 1.55 (M+H)+[-H2O] 3-Methoxytyramine_R1 150.092 418.2 C9H13NO2 167.0948 6.97 (M+H)+[-H2O] 3-Methoxytyrosine 212.0936 435.6 C10H13NO4 211.0858 7.26 M+H 3-methylhistamine_R1 126.103 966 C6H11N3 125.0952 16.1 M+H 3-Nitro-L-Tyrosine_R1 209.0563 348 C9H10N2O5 226.0591 5.8 (M+H)+[-H2O] 3,4-Dihydroxybenzoate 137.0237 292.8 C7H6O4 154.0265 4.88 (M+H)+[-H2O] 4-Acetamidobutanoate_R1 146.0812 97.2 C6H11NO3 145.0734 1.62 M+H 4-Aminobenzoate / Anthranilate 120.0453 72.6 C7H7NO2 137.0481 1.21 (M+H)+[-H2O] 4-Guanidinobutanoate 146.0921 468.6 C5H11N3O2 145.0843 7.81 M+H 4-Hydroxybenzaldehyde_R1 105.0338 74.4 C7H6O2 122.0366 1.24 (M+H)+[-H2O] 4-Hydroxybenzoate 139.04 83.4 C7H6O3 138.0322 1.39 M+H 4-Imidazoleacetate 127.0505 484.8 C5H6N2O2 126.0427 8.08 M+H 4-Pyridoxic acid 206.0452 247.8 C8H9NO4 183.0554 4.13 M+Na 5-aminolevulinic acid 132.0665 525 C5H9NO3 131.0587 8.75 M+H 5-Hydroxylysine 163.1076 794.4 C6H14N2O3 162.0998 13.24 M+H 5-Hydroxytryptophan 221.0929 506.4 C11H12N2O3 220.0851 8.44 M+H 5-Methylcytosine_R1 126.0669 523.8 C5H7N3O 125.0591 8.73 M+H 6-Hydroxynicotinate_R1 162.0211 166.2 C6H5NO3 139.0313 2.77 M+Na Acetaminophen 152.0713 79.8 C8H9NO2 151.0635 1.33 M+H Adenine_R1 136.0624 403.2 C5H5N5 135.0546 6.72 M+H Adenosine_R1 268.1047 403.2 C10H13N5O4 267.0969 6.72 M+H Adenosine 2',3'-Cyclic Phosphate 330.0606 427.8 C10H12N5O6P 329.0528 7.13 M+H Adrenaline(Epinephrine)_R1 188.0678 529.2 C9H13NO3 183.0886 8.82 (M+Na)-[H2O] Alanine / D-Alanine 90.0553 506.4 C3H7NO2 89.0475 8.44 M+H Allantoin_R1 159.0517 373.2 C4H6N4O3 158.0439 6.22 M+H Aminoadipate 162.0767 486.6 C6H11NO4 161.0689 8.11 M+H Aminocaproate_R1 136.0758 453 C6H13NO2 131.0966 7.55 (M+Na)-[H2O] Aniline-2-Sulfonate 174.0215 252.6 C6H7NO3S 173.0137 4.21 M+H Anserine_R1 241.1295 816.6 C10H16N4O3 240.1217 13.61 M+H Asparagine_R1 133.0614 540 C4H8N2O3 132.0536 9 M+H Asymmetrical dimethylarginine_R1 203.1509 727.2 C8H18N4O2 202.1431 12.12 M+H Betaine/L-Valine/Norvaline_R1 118.0867 440.4 C5H11NO2 117.0789 7.34 M+H Biopterin_R1 238.0948 384.6 C9H11N5O3 237.087 6.41 M+H Caffeine_R1 195.0879 64.2 C8H10N4O2 194.0801 1.07 M+H Carnitine_R1 162.1125 475.8 C7H16NO3 161.1047 7.93 M+ Carnosine_R1 227.1148 822 C9H14N4O3 226.107 13.7 M+H Choline_R1 104.1077 460.8 C5H14NO 104.1077 7.68 M+ cis-4-hydroxy-D-proline 132.0663 508.2 C5H9NO3 131.0585 8.47 M+H Citrulline_R1 176.1033 538.2 C6H13N3O3 175.0955 8.97 M+H Cortisol 363.2128 72.6 C21H30O5 362.205 1.21 M+H Cortisol 21-Acetate 405.2238 57 C23H32O6 404.216 0.95 M+H Cortisone 361.1984 57 C21H28O5 360.1906 0.95 M+H Cotinine 177.1024 336 C10H12N2O 176.0946 5.6 M+H Cotinine N-oxide 193.0972 307.8 C10H12N2O2 192.0894 5.13 M+H Creatinine 114.0666 496.2 C4H7N3O 113.0588 8.27 M+H Cyclic AMP (Adenosine 3',5'-cyclic monophosphate) 330.0601 451.2 C10H12N5O6P 329.0523 7.52 M+H Cyclic GMP_R1 346.0551 409.8 C10H12N5O7P 345.0473 6.83 M+H Cystathionine 223.0721 655.8 C7H14N2O4S 222.0643 10.93 M+H Cytidine_R1 244.0937 566.4 C9H13N3O5 243.0859 9.44 M+H Cytidine 2',3'-Cyclic Phosphate_R1 306.0491 527.4 C9H12N3O7P 305.0413 8.79 M+H Cytosine 112.0511 546 C4H5N3O 111.0433 9.1 M+H D-Glucuronolactone 159.028 289.2 C6H8O6 176.0308 4.82 (M+H)+[-H2O] D-Mannosamine_R1 180.087 660.6 C6H13NO5 179.0792 11.01 M+H D-Ornithine 133.0973 780 C5H12N2O2 132.0895 13 M+H D/L Glucosamine / D/L Galactosamine / D-Mannosamine 162.0764 660.6 C6H13NO5 179.0792 11.01 (M+H)+[-H2O] D/L Glucosamine / D/L Galactosamine 162.0764 674.4 C6H13NO5 179.0792 11.24 (M+H)+[-H2O] D/L N-Acetylglucosamine / D/L N-Acetylgalactosamine / D/L N-Acetylmannosamine 204.0873 358.2 C8H15NO6 221.0901 5.97 (M+H)+[-H2O] Deoxycarnitine_R1 146.1168 389.4 C7H16NO2 146.1168 6.49 M+ Deoxycytidine_R1 228.0977 535.2 C9H13N3O4 227.0899 8.92 M+H Diethanolamine 106.0869 564 C4H11NO2 105.0791 9.4 M+H Dihydrobiopterin_R1 240.1097 408 C9H13N5O3 239.1019 6.8 M+H Dihydrouracil_R1 115.0512 99 C4H6N2O2 114.0434 1.65 M+H Dimethylglycine_R1 104.0711 457.8 C4H9NO2 103.0633 7.63 M+H Ectoine_R1 143.0818 436.8 C6H10N2O2 142.074 7.28 M+H Galactitol_R1 183.0869 409.2 C6H14O6 182.0791 6.82 M+H Galacturonate 217.0329 423 C6H10O7 194.0431 7.05 M+Na Gamma-aminobutyrate / Aminoisobutanoate / 2-Aminoisobutyrate 104.071 486 C4H9NO2 103.0632 8.1 M+H Gluconate 219.0491 397.2 C6H12O7 196.0593 6.62 M+Na Glucose 203.0541 427.2 C6H12O6 180.0643 7.12 M+Na Glutarylcarnitine_R1 276.1442 352.2 C12H21NO6 275.1364 5.87 M+H Glycine_R1 76.0398 534.6 C2H5NO2 75.032 8.91 M+H Glycochenodeoxycholate_R1 432.3098 74.4 C26H43NO5 449.3126 1.24 (M+H)+[-H2O] Glycocholate 466.3153 159 C26H43NO6 465.3075 2.65 M+H Guanidinoacetate_R1 118.0617 534 C3H7N3O2 117.0539 8.9 M+H Guanidinosuccinate_R1 176.0673 536.4 C5H9N3O4 175.0595 8.94 M+H Guanine_R1 152.0572 445.8 C5H5N5O 151.0494 7.43 M+H Guanosine_R1 284.0997 389.4 C10H13N5O5 283.0919 6.49 M+H Hippurate_R1 180.0657 74.4 C9H9NO3 179.0579 1.24 M+H Histamine_R1 112.0878 960 C5H9N3 111.08 16 M+H Hydroxykynurenine_R1 225.0873 442.8 C10H12N2O4 224.0795 7.38 M+H Hypoxanthine/2-Deoxyinosine_R1 137.0463 289.8 C5H4N4O 136.0385 4.83 M+H Indole-3-Acetamide 197.0693 86.4 C10H10N2O 174.0795 1.44 M+Na Indole-3-Acetate 176.0721 67.8 C10H9NO2 175.0643 1.13 M+H Inosine 269.0881 328.2 C10H12N4O5 268.0803 5.47 M+H Inosine Monophosphate 349.0601 427.8 C10H13N4O8P 348.0523 7.13 M+H Kynurenic acid_R1 190.0501 172.8 C10H7NO3 189.0423 2.88 M+H Kynurenine_R1 209.0926 381 C10H12N2O3 208.0848 6.35 M+H L-Arginine_R1 175.1193 775.2 C6H14N4O2 174.1115 12.92 M+H L-Cysteine_R1 122.0273 474 C3H7NO2S 121.0195 7.9 M+H L-Cystine_R1 241.0293 639 C6H12N2O4S2 240.0215 10.65 M+H L-Glutamic Acid / N-Methyl-D-aspartic acid 148.0625 505.2 C5H9NO4 147.0547 8.42 M+H L-Histidine_R1 156.0772 737.4 C6H9N3O2 155.0694 12.29 M+H L-Isoleucine / Norleucine 132.1022 390 C6H13NO2 131.0944 6.5 M+H L-Leucine 132.1024 379.8 C6H13NO2 131.0946 6.33 M+H L-Lysine_R1 147.1133 781.2 C6H14N2O2 146.1055 13.02 M+H L-Methionine_R1 150.0579 413.4 C5H11NO2S 149.0501 6.89 M+H L-Phenylalanine_R1 166.087 373.2 C9H11NO2 165.0792 6.22 M+H L-Proline_R1 116.0718 453 C5H9NO2 115.064 7.55 M+H L-Serine_R1 106.0503 540.6 C3H7NO3 105.0425 9.01 M+H L-Threonine / Homoserine / Allothreonine_R1 120.0659 511.8 C4H9NO3 119.0581 8.53 M+H L-Tyrosine_R1 182.0816 453 C9H11NO3 181.0738 7.55 M+H Lactose 365.1058 472.2 C12H22O11 342.116 7.87 M+Na Lauroylcarnitine 343.2723 118.2 C19H37NO4 343.2723 1.97 M+ Lipoamide 206.0645 63.6 C8H15NOS2 205.0567 1.06 M+H Lumichrome_R1 243.0876 64.8 C12H10N4O2 242.0798 1.08 M+H Malate 135.0308 381.6 C4H6O5 134.023 6.36 M+H Methylpicolinate 120.0451 58.2 C7H7NO2 137.0479 0.97 (M+H)+[-H2O] Methylthioadenosine_R1 298.0984 316.8 C11H15N5O3S 297.0906 5.28 M+H Mevalolactone 113.0606 46.8 C6H10O3 130.0634 0.78 (M+H)+[-H2O] N-Acetylasparagine_R1 175.0716 274.2 C6H10N2O4 174.0638 4.57 M+H N-Acetylaspartate_R1 176.0555 245.4 C6H9NO5 175.0477 4.09 M+H N-Acetylcysteine 164.0377 87 C5H9NO3S 163.0299 1.45 M+H N-Acetylglutamate_R1 190.071 226.2 C7H11NO5 189.0632 3.77 M+H N-Acetylmethionine_R1 192.067 84.6 C7H13NO3S 191.0592 1.41 M+H N-Acetylneuraminate_R1 310.1137 404.4 C11H19NO9 309.1059 6.74 M+H N-Acetylphenylalanine 208.1017 61.8 C11H13NO3 207.0939 1.03 M+H N-Acetylproline_R1 158.0826 85.2 C7H11NO3 157.0748 1.42 M+H N-Acetylputrescine_R1 131.1183 535.8 C6H14N2O 130.1105 8.93 M+H N-Acetylserine_R1 130.0504 226.2 C5H9NO4 147.0532 3.77 (M+H)+[-H2O] N-Acetyltryptophan_R1 247.1073 88.2 C13H14N2O3 246.0995 1.47 M+H N-Alpha-Acetyllysine_R1 189.1236 527.4 C8H16N2O3 188.1158 8.79 M+H N-Methylglutamate_R1 162.0767 453 C6H11NO4 161.0689 7.55 M+H N-Methyltryptamine_R1 175.126 308.4 C11H14N2 174.1182 5.14 M+H N,N,N-Trimethyllysine_R1 189.1602 801.6 C9H20N2O2 188.1524 13.36 M+H Nicotinamide 123.0554 189 C6H6N2O 122.0476 3.15 M+H Nicotine-1-N-oxide 179.1183 573 C10H14N2O 178.1105 9.55 M+H Nicotinic acid_R1 124.0402 103.2 C6H5NO2 123.0324 1.72 M+H Norcotinine 163.086 475.2 C9H10N2O 162.0782 7.92 M+H O-Acetylcarnitine 204.1232 235.2 C9H18NO4 204.1232 3.92 M+ Octopamine_R1 154.0866 516.6 C8H11NO2 153.0788 8.61 M+H Ophthalmate 290.1367 474 C11H19N3O6 289.1289 7.9 M+H Ornithine 133.0972 780 C5H12N2O2 132.0894 13 M+H Orotate 139.0166 264.6 C5H4N2O4 156.0194 4.41 (M+H)+[-H2O] Pantothenate_R1 220.1181 118.8 C9H17NO5 219.1103 1.98 M+H Paraxanthine / Theobromine /Theophylline 181.0726 83.4 C7H8N4O2 180.0648 1.39 M+H Phenol_R1 77.0387 74.4 C6H6O 94.0415 1.24 (M+H)+[-H2O] Phenylacetylglutamine_R1 265.1187 136.8 C13H16N2O4 264.1109 2.28 M+H Phenylethanolamine 142.0665 414 C8H11NO 137.0873 6.9 (M+Na)-[H2O] Phenylglycine 152.071 412.2 C8H9NO2 151.0632 6.87 M+H Pipecolate 130.0868 435.6 C6H11NO2 129.079 7.26 M+H Pro-Gly_R1 173.0924 528.6 C7H12N2O3 172.0846 8.81 M+H Pterin_R1 164.0569 342 C6H5N5O 163.0491 5.7 M+H Pyroglutamate_R1 130.0501 142.8 C5H7NO3 129.0423 2.38 M+H Raffinose_R1 527.1573 504.6 C18H32O16 504.1675 8.41 M+Na Riboflavin_R1 377.1456 273 C17H20N4O6 376.1378 4.55 M+H S-Adenosylhomocysteine_R1 385.1289 639.6 C14H20N6O5S 384.1211 10.66 M+H S-Carboxymethylcysteine 162.0222 245.4 C5H9NO4S 179.025 4.09 (M+H)+[-H2O] Sarcosine 90.0554 485.4 C3H7NO2 89.0476 8.09 M+H Sepiapterin_R1 238.0941 289.2 C9H11N5O3 237.0863 4.82 M+H Succinate_R1 119.036 289.8 C4H6O4 118.0282 4.83 M+H Sucrose 365.1058 454.8 C12H22O11 342.116 7.58 M+Na Taurine_R1 126.0225 461.4 C2H7NO3S 125.0147 7.69 M+H Thiopurine S-Methylether 167.0345 81.6 C6H6N4S 166.0267 1.36 M+H Thymine_R1 127.0499 100.8 C5H6N2O2 126.0421 1.68 M+H trans-3-hydroxycotinine 193.0977 410.4 C10H12N2O2 192.0899 6.84 M+H Trehalose 365.1058 454.8 C12H22O11 342.116 7.58 M+Na Trigonelline_R1 138.0555 433.8 C7H7NO2 137.0477 7.23 M+H Trimethylamine_R1 60.081 477 C3H9N 59.0732 7.95 M+H Tryptamine 144.079 394.8 C10H12N2 160.0977 6.58 (M+H)+[-NH3] Tryptophan 205.0969 410.4 C11H12N2O2 204.0891 6.84 M+H Uracil_R1 113.0344 142.2 C4H4N2O2 112.0266 2.37 M+H Ureidopropionate_R1 133.0612 253.2 C4H8N2O3 132.0534 4.22 M+H Uric acid_R1 169.0361 365.4 C5H4N4O3 168.0283 6.09 M+H Uridine Monophosphate 325.0383 408.6 C9H13N2O9P 324.0305 6.81 M+H Xanthine_R1 153.0412 278.4 C5H4N4O2 152.0334 4.64 M+H Xanthosine_R1 285.0834 334.2 C10H12N4O6 284.0756 5.57 M+H Xanthurenate 206.0452 247.8 C10H7NO4 205.0374 4.13 M+H Trimethylamine_R2 60.0804 471.1 C3H9N M+H Glycine_R2 76.0392 527 C2H5NO2 M+H Phenol_R2 77.0383 78.7 C6H6O M+H-H2O 2-Hydroxypyridine_R2 96.0442 125.5 C5H5NO M+H Dimethylglycine_R2 104.0706 451.9 C4H9NO2 M+H Choline_R2 104.1071 471.1 C5H14NO M+ 4-Hydroxybenzaldehyde_R2 105.0334 78.8 C7H6O2 M+H-H2O L-Serine_R2 106.0498 533.1 C3H7NO3 M+H 2-Aminophenol_R2 110.0601 357.5 C6H7NO M+H Histamine_R2 112.0867 945.1 C5H9N3 M+H Uracil_R2 113.034 144.7 C4H4N2O2 M+H Dihydrouracil_R2 115.0505 102.9 C4H6N2O2 M+H L-Proline_R2 116.0707 448.1 C5H9NO2 M+H Guanidinoacetate_R2 118.0612 526.6 C3H7N3O2 M+H Succinate_R2 119.035 289.5 C4H6O4 M+H L-Cysteine_R2 122.0269 467.9 C3H7NO2S M+H Nicotinic acid_R2 124.0388 107.5 C6H5NO2 M+H 5-Methylcytosine_R2 126.0662 517.1 C5H7N3O M+H 3-methylhistamine_R2 126.1024 951 C6H11N3 M+H Thymine_R2 127.0499 104.5 C5H6N2O2 M+H Pyroglutamate_R2 130.0496 144 C5H7NO3 M+H N-Acetylserine_R2 130.0497 226.7 C5H9NO4 M+H-H2O N-Acetylputrescine_R2 131.1178 528.1 C6H14N2O M+H Ureidopropionate_R2 133.0606 253.1 C4H8N2O3 M+H Asparagine_R2 133.0607 532.6 C4H8N2O3 M+H 3-Hydroxyanthranilic acid_R2 136.0389 97 C7H7NO3 M+H-H2O 3-Amino-4-Hydroxybenzoate_R2 136.039 310.8 C7H7NO3 M+H-H2O Adenine_R2 136.0615 398.9 C5H5N5 M+H Aminocaproate_R2 136.0755 447.4 C6H13NO2 M+Na-H2O Trigonelline_R2 138.055 429.2 C7H7NO2 M+H Ectoine_R2 143.0814 431.6 C6H10N2O2 M+H 4-Acetamidobutanoate_R2 146.0806 101.9 C6H11NO3 M+H Deoxycarnitine_R2 146.1174 385.1 C7H15NO2 M+H L-Lysine_R2 147.1127 767.2 C6H14N2O2 M+H Taurine_R2 148.0037 456.4 C2H7NO3S M+H L-Methionine_R2 150.0578 408.4 C5H11NO2S M+H 3-Methoxytyramine_R2 150.0914 413.6 C9H13NO2 M+H-H2O Guanine_R2 152.0567 452.1 C5H5N5O M+H Xanthine_R2 153.0406 277.3 C5H4N4O2 M+H 3-Amino-5-Hydroxybenzoate_R2 154.0526 297.2 C7H7NO3 M+H Octopamine_R2 154.0868 508.1 C8H11NO2 M+H L-Histidine_R2 156.0766 724.3 C6H9N3O2 M+H N-Acetylproline_R2 158.081 90.3 C7H11NO3 M+Na Allantoin_R2 159.0511 370.3 C4H6N4O3 M+H-H2O 6-Hydroxynicotinate_R2 162.0216 167.9 C6H5NO3 M+Na N-Methylglutamate_R2 162.0757 447.8 C6H11NO4 M+H Carnitine_R2 162.1124 470.1 C7H16NO3 M+H Pterin_R2 164.0565 339.9 C6H5N5O M+H 2-Deoxy-D-Glucose_R2 165.0757 405.2 C6H12O5 M+H L-Phenylalanine_R2 166.0864 369.7 C9H11NO2 M+H 3-(2-Hydroxyphenyl)Propanoate_R2 167.0701 50.3 C9H10O3 M+H Uric acid_R2 169.0355 362.5 C5H4N4O3 M+H Pro-Gly_R2 173.0918 520.6 C7H12N2O3 M+H N-Acetylasparagine_R2 175.0711 273.5 C6H10N2O4 M+H L-Arginine_R2 175.1189 761.4 C6H14N4O2 M+H N-Methyltryptamine_R2 175.1265 306.4 C11H14N2 M+H N-Acetylaspartate_R2 176.055 245.2 C6H9NO5 M+H Guanidinosuccinate_R2 176.0665 528.6 C5H9N3O4 M+H Indole-3-Acetate (B) 176.071 72.4 C10H9NO2 M+H Citrulline_R2 176.1027 531.5 C6H13N3O3 M+H Hippurate_R2 180.0652 78.7 C9H9NO3 M+H L-Tyrosine_R2 182.0811 447.5 C9H11NO3 M+H Galactitol_R2 183.0862 404.5 C6H14O6 M+H Adrenaline(Epinephrine)_R2 188.0669 522.2 C9H13NO3 M+Na-H2O N-Alpha-Acetyllysine_R2 189.1231 519.7 C8H16N2O3 M+H N,N,N-Trimethyllysine_R2 189.1596 787.1 C9H20N2O2 M+H Kynurenic acid_R2 190.0497 175.3 C10H7NO3 M+H N-Acetylglutamate_R2 190.0703 226.8 C7H11NO5 M+H N-Acetylmethionine_R2 192.0655 88.8 C7H13NO3S M+H Caffeine_R2 195.0872 68.9 C8H10N4O2 M+H Asymmetrical dimethylarginine_R2 203.1503 712.6 C8H18N4O2 M+H 3-Nitro-L-Tyrosine_R2 209.0557 345.3 C9H10N2O5 M+H-H2O Kynurenine_R2 209.092 377.6 C10H12N2O3 M+H Pantothenate_R2 220.1175 122.8 C9H17NO5 M+H Hydroxykynurenine_R2 225.087 437.7 C10H12N2O4 M+H Carnosine_R2 227.1139 807.4 C9H14N4O3 M+H Deoxycytidine_R2 228.0978 527.7 C9H13N3O4 M+H Sepiapterin_R2 238.0932 288.1 C9H11N5O3 M+H Biopterin_R2 238.0934 381.3 C9H11N5O3 M+H Dihydrobiopterin_R2 240.1092 404 C9H13N5O3 M+H L-Cystine_R2 241.0309 629.6 C6H12N2O4S2 M+H Anserine_R2 241.1294 802.2 C10H16N4O3 M+H Lumichrome_R2 243.0871 69.9 C12H10N4O2 M+H Cytidine_R2 244.0933 559 C9H13N3O5 M+H N-Acetyltryptophan_R2 247.1071 92.6 C13H14N2O3 M+H Phenylacetylglutamine_R2 265.1181 139.8 C13H16N2O4 M+H Adenosine_R2 268.1041 398.9 C10H13N5O4 M+H Glutarylcarnitine_R2 276.144 349.4 C12H21NO6 M+H 1-Methyladenosine_R2 282.12 514.1 C11H15N5O4 M+H Guanosine_R2 284.0989 385.8 C10H13N5O5 M+H Xanthosine_R2 285.0828 331.6 C10H12N4O6 M+H Methylthioadenosine_R2 298.0977 314.9 C11H15N5O3S M+H Cytidine 2',3'-Cyclic Phosphate_R2 306.0485 520.5 C9H12N3O7P M+H N-Acetylneuraminate_R2 310.1133 400.7 C11H19NO9 M+H Cyclic AMP 330.0595 446.1 C10H12N5O6P M+H Cyclic GMP_R2 346.0544 405.9 C10H12N5O7P M+H Riboflavin_R2 377.145 272.7 C17H20N4O6 M+H S-Adenosylhomocysteine_R2 385.1284 629.7 C14H20N6O5S M+H Glycochenodeoxycholate_R2 432.3101 79 C26H43NO5 M+H-H2O Raffinose_R2 527.1575 498.5 C18H32O16 M+Na Betaine/L-Valine/Norvaline_R2 118.0863 435.9 C5H11NO2 M+H L-Threonine / Homoserine / Allothreonine_R2 120.0654 505.2 C4H9NO3 M+H Hypoxanthine/2-Deoxyinosine_R2 137.0457 288.8 C5H4N4O M+H D,L Glucosamine (B) / D,L Galactosamine (B) 162.0758 665.1 C6H13NO5 M+H-H2O D,L Glucosamine (A) / D,L Galactosamine (A) / D-Mannosamine 162.0759 649.7 C6H13NO5 M+H-H2O 3-(4-Hydroxyphenyl)Pyruvate 163.0384 51.6 C9H8O4 M+H-H2O D-Mannosamine_R2 180.0866 663.1 C6H13NO5 M+H-H2O Paraxanthine 181.0719 87.6 C7H8N4O2 M+H D/L N-Acetylglucosamine (A)_R1 204.0863 356.3 C8H15NO6 M+H-H2O 4-Pyrodixic acid / Xanthurenate 206.0446 248.2 C10H7NO4 M+H D/L N-Acetylglucosamine (A)_R2 222.0973 356.4 C8H15NO6 M+H-H2O Sucrose / Trehalose 365.1052 448.4 C12H22O11 M+Na METABOLITES_END #END