#METABOLOMICS WORKBENCH nalipan1_20251013_150847 DATATRACK_ID:6560 STUDY_ID:ST004297 ANALYSIS_ID:AN007144 PROJECT_ID:PR002713 VERSION 1 CREATED_ON October 16, 2025, 11:13 am #PROJECT PR:PROJECT_TITLE ROSE longitudinal metabolomic analyses in ARDS inflammatory phenotypes PR:PROJECT_TYPE Untargeted MS PR:PROJECT_SUMMARY Critically ill patients with acute respiratory distress syndrome (ARDS) and PR:PROJECT_SUMMARY sepsis exhibit distinct inflammatory phenotypes with divergent clinical outcomes PR:PROJECT_SUMMARY and apparent heterogeneity of treatment effects, but the underlying molecular PR:PROJECT_SUMMARY mechanisms remain poorly understood. These phenotypes, derived from clinical PR:PROJECT_SUMMARY data and protein biomarkers, were associated with metabolic differences in a PR:PROJECT_SUMMARY prior pilot study. This study investigated the metabolomic and transcriptomic PR:PROJECT_SUMMARY differences between Hyperinflammatory and Hypoinflammatory phenotypes through PR:PROJECT_SUMMARY integrative multi-omics analysis of blood samples from ARDS patients in the ROSE PR:PROJECT_SUMMARY trial. Multi-omics integration revealed three molecular signatures strongly PR:PROJECT_SUMMARY associated with the Hyperinflammatory phenotype and with mortality: enhanced PR:PROJECT_SUMMARY innate immune activation coupled with increased glycolysis, hepatic dysfunction PR:PROJECT_SUMMARY and immune dysfunction paired with impaired fatty acid beta-oxidation, and PR:PROJECT_SUMMARY interferon program suppression coupled with altered mitochondrial respiration. A PR:PROJECT_SUMMARY fourth molecular signature, not associated with inflammatory phenotype, PR:PROJECT_SUMMARY identified redox impairment and cell proliferation pathways associated with PR:PROJECT_SUMMARY mortality. Integrated multi-omics analysis within each inflammatory phenotype PR:PROJECT_SUMMARY revealed distinct pathways associated with mortality. All mortality-associated PR:PROJECT_SUMMARY molecular signatures including those within phenotypes were validated in an PR:PROJECT_SUMMARY independent cohort of critically ill patients with sepsis (EARLI). These PR:PROJECT_SUMMARY findings reveal distinct molecular mechanisms underlying ARDS/sepsis phenotypes PR:PROJECT_SUMMARY and suggest potential therapeutic targets for precise treatment strategies in PR:PROJECT_SUMMARY critical illness. PR:INSTITUTE University of California, San Francisco PR:DEPARTMENT Medicine PR:LAST_NAME Alipanah-Lechner PR:FIRST_NAME Narges PR:ADDRESS 513 Parnassus Ave, HSE 716, San Francisco, CA 94143 PR:EMAIL narges.alipanah@ucsf.edu PR:PHONE 415-502-6373 PR:FUNDING_SOURCE NHLBI #STUDY ST:STUDY_TITLE ROSE longitudinal metabolomics analyses of ARDS inflammatory phenotypes ST:STUDY_SUMMARY This study investigated metabolic differences underlying inflammatory phenotypes ST:STUDY_SUMMARY in acute respiratory distress syndrome (ARDS). We performed untargeted plasma ST:STUDY_SUMMARY metabolomics on 160 patients from the ROSE trial (80 Hyperinflammatory, 80 ST:STUDY_SUMMARY Hypoinflammatory phenotypes) at enrollment (Day 0) and Day 2. Integrative ST:STUDY_SUMMARY multi-omics analysis with transcriptomics identified four mortality-associated ST:STUDY_SUMMARY molecular signatures involving altered glycolysis, impaired fatty acid ST:STUDY_SUMMARY beta-oxidation, mitochondrial respiration dysfunction, and redox impairment. ST:STUDY_SUMMARY These findings reveal distinct biological processes characterizing ARDS ST:STUDY_SUMMARY inflammatory phenotypes and identify potential therapeutic targets for precision ST:STUDY_SUMMARY medicine approaches in critical illness. ST:INSTITUTE University of California, San Francisco ST:DEPARTMENT Medicine ST:LAST_NAME Alipanah-Lechner ST:FIRST_NAME Narges ST:ADDRESS 513 Parnassus Ave, HSE 716, San Francisco, CA 94143 ST:EMAIL narges.alipanah@ucsf.edu ST:PHONE 415-502-6373 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 160 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS R-0649 UCSF-10259 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0543 UCSF-10260 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0548 UCSF-10261 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0839 UCSF-10262 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0606 UCSF-10263 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0590 UCSF-10264 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-1001 UCSF-10265 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0085 UCSF-10266 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0191 UCSF-10267 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0372 UCSF-10268 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0744 UCSF-10269 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0377 UCSF-10270 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0026 UCSF-10271 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0309 UCSF-10272 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0318 UCSF-10273 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0742 UCSF-10274 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0099 UCSF-10275 Timepoint:Day 2 | Sample 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UCSF-10332 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0705 UCSF-10333 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0248 UCSF-10334 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0035 UCSF-10335 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0842 UCSF-10336 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0198 UCSF-10337 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0736 UCSF-10338 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0779 UCSF-10339 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0624 UCSF-10340 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0287 UCSF-10341 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0723 UCSF-10342 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0478 UCSF-10343 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-1006 UCSF-10344 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0753 UCSF-10345 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0356 UCSF-10346 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0326 UCSF-10347 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0680 UCSF-10348 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0062 UCSF-10349 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0445 UCSF-10350 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0850 UCSF-10351 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0931 UCSF-10352 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0490 UCSF-10353 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0172 UCSF-10354 Timepoint:Day 2 | Sample source:plasma class=1 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Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0758 UCSF-10378 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0326 UCSF-10379 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0543 UCSF-10380 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0290 UCSF-10381 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0142 UCSF-10382 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0383 UCSF-10383 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0797 UCSF-10384 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0062 UCSF-10385 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0662 UCSF-10386 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0668 UCSF-10387 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0717 UCSF-10388 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0433 UCSF-10389 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0751 UCSF-10390 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0789 UCSF-10391 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0167 UCSF-10392 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0705 UCSF-10393 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0294 UCSF-10394 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0155 UCSF-10395 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0843 UCSF-10396 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0581 UCSF-10397 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0683 UCSF-10398 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0024 UCSF-10399 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0203 UCSF-10400 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0262 UCSF-10401 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0867 UCSF-10402 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0584 UCSF-10403 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0091 UCSF-10404 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0076 UCSF-10405 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0377 UCSF-10406 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0122 UCSF-10407 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0299 UCSF-10408 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0551 UCSF-10409 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0191 UCSF-10410 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0649 UCSF-10411 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0839 UCSF-10412 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0287 UCSF-10413 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0633 UCSF-10414 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0393 UCSF-10415 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0475 UCSF-10416 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0293 UCSF-10417 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0624 UCSF-10418 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0680 UCSF-10419 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0437 UCSF-10420 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0164 UCSF-10421 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0348 UCSF-10422 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0564 UCSF-10423 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0248 UCSF-10424 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0547 UCSF-10425 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0615 UCSF-10426 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0231 UCSF-10427 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0599 UCSF-10428 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0642 UCSF-10429 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0099 UCSF-10430 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0736 UCSF-10431 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0832 UCSF-10432 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0103 UCSF-10433 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0825 UCSF-10434 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0752 UCSF-10435 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0977 UCSF-10436 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0356 UCSF-10437 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0883 UCSF-10438 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0882 UCSF-10439 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0082 UCSF-10440 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0172 UCSF-10441 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0622 UCSF-10442 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0681 UCSF-10443 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0872 UCSF-10444 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0950 UCSF-10445 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0851 UCSF-10446 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0372 UCSF-10447 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0879 UCSF-10448 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0691 UCSF-10449 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0473 UCSF-10450 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0945 UCSF-10451 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0997 UCSF-10452 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0990 UCSF-10453 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0478 UCSF-10454 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0606 UCSF-10455 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0906 UCSF-10456 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0808 UCSF-10457 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0485 UCSF-10458 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0308 UCSF-10459 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0931 UCSF-10460 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0238 UCSF-10461 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0838 UCSF-10462 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0975 UCSF-10463 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0084 UCSF-10464 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0783 UCSF-10465 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0677 UCSF-10466 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0590 UCSF-10467 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0903 UCSF-10468 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0107 UCSF-10469 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0109 UCSF-10470 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0904 UCSF-10471 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0309 UCSF-10472 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0968 UCSF-10473 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0438 UCSF-10474 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0198 UCSF-10475 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0318 UCSF-10476 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0366 UCSF-10477 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0233 UCSF-10478 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0208 UCSF-10479 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0753 UCSF-10480 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0194 UCSF-10481 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0487 UCSF-10482 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-1006 UCSF-10483 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0793 UCSF-10484 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0490 UCSF-10485 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0720 UCSF-10486 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0726 UCSF-10487 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0445 UCSF-10488 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0982 UCSF-10489 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0898 UCSF-10490 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0842 UCSF-10491 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0088 UCSF-10492 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0170 UCSF-10493 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0374 UCSF-10494 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0026 UCSF-10495 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0373 UCSF-10496 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0785 UCSF-10497 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0085 UCSF-10498 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-1001 UCSF-10499 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0742 UCSF-10500 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0971 UCSF-10501 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0183 UCSF-10502 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0460 UCSF-10503 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0583 UCSF-10504 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0965 UCSF-10505 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-1004 UCSF-10506 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0978 UCSF-10507 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0638 UCSF-10508 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0850 UCSF-10509 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0964 UCSF-10510 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0969 UCSF-10511 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0035 UCSF-10512 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0900 UCSF-10513 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0723 UCSF-10514 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0883 UCSF-10515 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0975 UCSF-10516 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0103 UCSF-10517 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0882 UCSF-10518 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0997 UCSF-10519 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0084 UCSF-10520 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0832 UCSF-10521 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-1005 UCSF-10522 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0964 UCSF-10523 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0460 UCSF-10524 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0965 UCSF-10525 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0879 UCSF-10526 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0978 UCSF-10527 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0904 UCSF-10528 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0982 UCSF-10529 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0167 UCSF-10530 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0681 UCSF-10531 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0752 UCSF-10532 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0473 UCSF-10533 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0843 UCSF-10534 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0082 UCSF-10535 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0208 UCSF-10536 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0155 UCSF-10537 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0797 UCSF-10538 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0381 UCSF-10539 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0485 UCSF-10540 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0900 UCSF-10541 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0996 UCSF-10542 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0971 UCSF-10543 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0691 UCSF-10544 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0233 UCSF-10545 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0203 UCSF-10546 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0945 UCSF-10547 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0977 UCSF-10548 Timepoint:Day 2 | Sample source:plasma class=2 #COLLECTION CO:COLLECTION_SUMMARY EDTA plasma was collected as part of the ROSE trial of neuromuscular blockade CO:COLLECTION_SUMMARY for the treatment of moderate to severe ARDS and requested from BioLINCC for CO:COLLECTION_SUMMARY this project. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Upon receipt, the 290 EDTA plasma samples were stored at -80°C and accessioned SP:SAMPLEPREP_SUMMARY into the Metabolon LIMS system with unique identifiers. Sample preparation was SP:SAMPLEPREP_SUMMARY performed using the automated MicroLab STAR® system from Hamilton Company. SP:SAMPLEPREP_SUMMARY Recovery standards were added prior to extraction, then proteins were SP:SAMPLEPREP_SUMMARY precipitated with methanol under vigorous shaking for 2 minutes using a Glen SP:SAMPLEPREP_SUMMARY Mills GenoGrinder 2000, followed by centrifugation. The resulting extract was SP:SAMPLEPREP_SUMMARY divided into four fractions for different analytical methods: two fractions for SP:SAMPLEPREP_SUMMARY reverse phase UPLC-MS/MS with positive ion mode electrospray ionization, one SP:SAMPLEPREP_SUMMARY fraction for reverse phase UPLC-MS/MS with negative ion mode ESI, and one SP:SAMPLEPREP_SUMMARY fraction for HILIC/UPLC-MS/MS with negative ion mode ESI, with remaining SP:SAMPLEPREP_SUMMARY fractions reserved for backup. Samples were briefly placed on a TurboVap® SP:SAMPLEPREP_SUMMARY (Zymark) to remove organic solvent, then sample extracts were stored overnight SP:SAMPLEPREP_SUMMARY under nitrogen before analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar (LC/MS Pos early) CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) CH:SOLVENT_A 100% water; 0.1% formic acid; 0.05% PFPA, pH ~2.5 CH:SOLVENT_B 100% methanol; 0.1% formic acid; 0.05% PFPA, pH ~2.5 CH:FLOW_GRADIENT Linear gradient from 5% B to 80% B over 3.35 minutes CH:FLOW_RATE 0.35 mL/min CH:COLUMN_TEMPERATURE 40-50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Metabolon (LC/MS Pos early) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS median-scaled values (batch normalized total ion counts) MS_METABOLITE_DATA_START Samples UCSF-10259 UCSF-10260 UCSF-10261 UCSF-10262 UCSF-10263 UCSF-10264 UCSF-10265 UCSF-10266 UCSF-10267 UCSF-10268 UCSF-10269 UCSF-10270 UCSF-10271 UCSF-10272 UCSF-10273 UCSF-10274 UCSF-10275 UCSF-10276 UCSF-10277 UCSF-10278 UCSF-10279 UCSF-10280 UCSF-10281 UCSF-10282 UCSF-10283 UCSF-10284 UCSF-10285 UCSF-10286 UCSF-10287 UCSF-10288 UCSF-10289 UCSF-10290 UCSF-10291 UCSF-10292 UCSF-10293 UCSF-10294 UCSF-10295 UCSF-10296 UCSF-10297 UCSF-10298 UCSF-10299 UCSF-10300 UCSF-10301 UCSF-10302 UCSF-10303 UCSF-10304 UCSF-10305 UCSF-10306 UCSF-10307 UCSF-10308 UCSF-10309 UCSF-10310 UCSF-10311 UCSF-10312 UCSF-10313 UCSF-10314 UCSF-10315 UCSF-10316 UCSF-10317 UCSF-10318 UCSF-10319 UCSF-10320 UCSF-10321 UCSF-10322 UCSF-10323 UCSF-10324 UCSF-10325 UCSF-10326 UCSF-10327 UCSF-10328 UCSF-10329 UCSF-10330 UCSF-10331 UCSF-10332 UCSF-10333 UCSF-10334 UCSF-10335 UCSF-10336 UCSF-10337 UCSF-10338 UCSF-10339 UCSF-10340 UCSF-10341 UCSF-10342 UCSF-10343 UCSF-10344 UCSF-10345 UCSF-10346 UCSF-10347 UCSF-10348 UCSF-10349 UCSF-10350 UCSF-10351 UCSF-10352 UCSF-10353 UCSF-10354 UCSF-10355 UCSF-10356 UCSF-10357 UCSF-10358 UCSF-10359 UCSF-10360 UCSF-10361 UCSF-10362 UCSF-10363 UCSF-10364 UCSF-10365 UCSF-10366 UCSF-10367 UCSF-10368 UCSF-10369 UCSF-10370 UCSF-10371 UCSF-10372 UCSF-10373 UCSF-10374 UCSF-10375 UCSF-10376 UCSF-10377 UCSF-10378 UCSF-10379 UCSF-10380 UCSF-10381 UCSF-10382 UCSF-10383 UCSF-10384 UCSF-10385 UCSF-10386 UCSF-10387 UCSF-10388 UCSF-10389 UCSF-10390 UCSF-10391 UCSF-10392 UCSF-10393 UCSF-10394 UCSF-10395 UCSF-10396 UCSF-10397 UCSF-10398 UCSF-10399 UCSF-10400 UCSF-10401 UCSF-10402 UCSF-10403 UCSF-10404 UCSF-10405 UCSF-10406 UCSF-10407 UCSF-10408 UCSF-10409 UCSF-10410 UCSF-10411 UCSF-10412 UCSF-10413 UCSF-10414 UCSF-10415 UCSF-10416 UCSF-10417 UCSF-10418 UCSF-10419 UCSF-10420 UCSF-10421 UCSF-10422 UCSF-10423 UCSF-10424 UCSF-10425 UCSF-10426 UCSF-10427 UCSF-10428 UCSF-10429 UCSF-10430 UCSF-10431 UCSF-10432 UCSF-10433 UCSF-10434 UCSF-10435 UCSF-10436 UCSF-10437 UCSF-10438 UCSF-10439 UCSF-10440 UCSF-10441 UCSF-10442 UCSF-10443 UCSF-10444 UCSF-10445 UCSF-10446 UCSF-10447 UCSF-10448 UCSF-10449 UCSF-10450 UCSF-10451 UCSF-10452 UCSF-10453 UCSF-10454 UCSF-10455 UCSF-10456 UCSF-10457 UCSF-10458 UCSF-10459 UCSF-10460 UCSF-10461 UCSF-10462 UCSF-10463 UCSF-10464 UCSF-10465 UCSF-10466 UCSF-10467 UCSF-10468 UCSF-10469 UCSF-10470 UCSF-10471 UCSF-10472 UCSF-10473 UCSF-10474 UCSF-10475 UCSF-10476 UCSF-10477 UCSF-10478 UCSF-10479 UCSF-10480 UCSF-10481 UCSF-10482 UCSF-10483 UCSF-10484 UCSF-10485 UCSF-10486 UCSF-10487 UCSF-10488 UCSF-10489 UCSF-10490 UCSF-10491 UCSF-10492 UCSF-10493 UCSF-10494 UCSF-10495 UCSF-10496 UCSF-10497 UCSF-10498 UCSF-10499 UCSF-10500 UCSF-10501 UCSF-10502 UCSF-10503 UCSF-10504 UCSF-10505 UCSF-10506 UCSF-10507 UCSF-10508 UCSF-10509 UCSF-10510 UCSF-10511 UCSF-10512 UCSF-10513 UCSF-10514 UCSF-10515 UCSF-10516 UCSF-10517 UCSF-10518 UCSF-10519 UCSF-10520 UCSF-10521 UCSF-10522 UCSF-10523 UCSF-10524 UCSF-10525 UCSF-10526 UCSF-10527 UCSF-10528 UCSF-10529 UCSF-10530 UCSF-10531 UCSF-10532 UCSF-10533 UCSF-10534 UCSF-10535 UCSF-10536 UCSF-10537 UCSF-10538 UCSF-10539 UCSF-10540 UCSF-10541 UCSF-10542 UCSF-10543 UCSF-10544 UCSF-10545 UCSF-10546 UCSF-10547 UCSF-10548 Factors Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma S-1-pyrroline-5-carboxylate 0.38964834903206 0.594681374879493 1.03024372518881 1.1481564946258 1.31604214910209 1.04153293238629 0.685782651566142 0.851708242523795 0.999494636029381 1.84482456133783 1.73630831744244 1.57169193112176 0.775365091153934 0.608136285058222 12.6307426504481 0.646252957003134 0.306410785290689 0.478936804048302 2.20649945483082 0.58621871204311 0.645343052293566 0.488938268979911 1.17718460109813 1.39467927855487 0.572728863120734 1.41065526865024 0.797545702996222 1.71509151579992 1.62720360527905 1.18332034360757 1.32759639162638 2.18425445587524 1.10370443020774 2.38813300580757 0.990874249721676 0.782870931539279 0.58307921636391 0.873414186577383 1.49493799995159 1.01310677055452 1.58028236993491 1.53872073786634 1.39279558114735 2.37251938039632 0.423579359487978 2.29041782494841 1.12901355698122 0.464995247083052 0.598392368579788 1.46251484584652 1.24749482968985 2.07619890427109 0.778956294876009 5.80437847344144 1.34816982126087 1.29768683056431 0.618348879826444 1.10192554903116 1.20087207104145 0.484010907875767 0.51403027641787 0.911967093692983 0.477291688347405 0.636859426210996 0.656522452011012 2.83154659093944 1.74992943621595 1.19067145527105 1.63271244690247 1.44817498720369 1.34379798618073 1.28066217903461 0.914429276870327 1.9310448955369 2.00208634212068 0.66442010545012 1.51304575253437 0.752138812626762 0.720524739999596 1.93087918606703 4.57232606931897 1.38399301424777 1.05788476353833 1.22942550972508 0.8827957383717 0.444789672506678 1.00050536397062 0.790822490468586 1.27944032125676 0.520086658066744 5.39599497181566 2.16072770415269 0.617934606151764 1.0943268714127 1.78847036433373 1.16320560976468 1.53446120589077 0.410735378198174 0.406919069142027 0.687956839670847 0.646740102914565 1.73110693676312 2.66537692790116 1.63475985728022 0.446634438171276 0.945597131828622 1.8867310887187 0.721696685286521 0.500147117067002 0.155541297220648 0.789462874215781 0.362261864386265 0.425681174480842 0.682976072201413 0.98811209247387 1.18788983215178 0.925509350730831 0.442647428396164 1.94170320884909 0.676928175675996 0.590256632558966 0.752195213741508 0.569741600538855 0.60292641925544 1.29162396029162 2.35392148715265 7.05705871181351 0.813499232470671 0.911622697505598 1.27923518091905 1.08490688700037 1.43802727867367 2.21792392487871 0.554883151115307 0.36157007726204 1.42375879489285 1.07272374709041 0.287664152824061 0.553413727382467 3.07083655580853 2.30665435824641 0.958810964676181 0.803998888947952 0.604602480700712 0.335036097961249 0.604295019756612 0.862590662920235 0.746869051834871 1.26138697328908 0.833119333528491 0.621646598101878 0.630747641697194 0.352094190859875 0.568239234562004 0.769230846019217 0.287303285514671 0.592094410474835 1.81799110709149 1.98596261105217 0.426950948249981 1.0510487487812 0.625890158080346 0.476177641549953 0.910961357000838 0.814623760891218 0.546825278580329 0.85092311904154 0.326821500204766 0.650325317137728 0.822766484660768 0.714898104897588 3.15840502638749 3.7966679918433 2.51163198122891 3.50167868185105 9.50102233259538 0.717421680438771 0.667785205588302 0.418473311666321 0.564192828922691 0.495460833294027 1.42480595895247 1.82238390541783 0.81562450633427 0.380724993904437 0.803416909303763 0.693687791878888 1.47388690777894 0.899913726259436 0.377607958846153 0.702800814472027 0.754601994053925 0.440168774096815 2.83083084581957 1.26793199822411 0.2228647623554 1.27307997253815 0.424476786074814 0.898264617559264 1.54345044550642 1.10066126563602 1.49251973976626 1.01171720680716 1.18768169706462 0.561306888697391 1.05919796117457 0.429334768816572 2.97823940176885 0.481681991049193 0.877474068589246 0.95050153318694 24.1896470013948 0.925333658762774 1.01708030395709 0.883877342050051 0.487478827745256 1.66331878633785 1.0347742819901 1.956862131468 1.55248610373862 1.07684601971593 1.19705276723584 1.53418269419141 1.23356275609787 1.85534761179961 1.5807725105958 1.01230467682536 1.06986575786003 0.991861518792178 1.47324852702 1.88234378076637 1.91438959644004 1.59194142869015 0.61344148371867 1.94371368398356 1.60820890773252 0.616043920995515 1.72188959706395 0.614988770937354 1.50383989270811 0.615103569666482 5.28420796238994 0.747048237677292 1.69027302881224 1.11308448462733 1.0964576356503 1.23382928879941 0.531670348960685 spermidine 0.835805586664369 1.80829492591316 2.53565070066621 0.447738987479899 1.66392520244659 1.65349686997473 0.677069872788881 0.490700558522858 1.02020248248335 1.32566710458305 2.73806408654951 0.784510143866299 1.5874262362164 0.579568867734896 0.282855394268321 2.8135391540317 1.67566728405697 2.04350089019067 2.66505858028946 1.27697134160349 1.74285604037445 2.64358721714909 1.24852382695842 0.7800977773949 0.344957859522169 0.484426150068918 0.539920385366414 0.853792463530898 2.57230107110039 0.501711283884677 0.764157800654721 1.34131902567195 2.20154562945095 0.293456021709166 1.52701172323685 2.50705063318401 0.43436459051229 2.73832791322077 1.23177711492074 0.785558271594303 0.989830109981622 0.122240588387319 1.81484213473467 1.4002268550425 1.41221212382265 0.562910097920974 2.25855193257524 0.831500904548587 0.443690055708707 0.672863901332415 0.751168375258443 0.732610771307145 0.521292786583965 0.678673472317942 0.845727802664829 1.64543220910866 2.02566656616127 1.25510872530439 1.25090365121755 1.04395226711463 1.21876346054445 0.603433515678842 0.350993567654491 0.550697794624397 0.282897570640937 0.372211872559155 3.18171735010338 1.93284265161957 1.19315342866988 0.873542671720653 0.287032649896623 0.724211391569033 0.561430335400873 2.63616686767746 3.42244303497588 0.943057410119458 1.11693803124282 0.207043813174822 0.948293561911326 0.703624834883988 1.94051785406616 0.423696660349185 1.49611977371927 0.239516030611073 1.3216791939467 0.233755814955203 0.224783016023432 2.41127257781989 6.01693246755111 1.08127297266253 1.02056860929244 0.923904850103377 1.73316714047783 2.56741758557317 0.254715677406386 3.56921770905123 0.311307395761544 2.19634537244429 4.51398819779463 1.59121852027338 0.994803332471859 0.6589385194119 1.38872526849299 4.80310902682058 1.46591431196876 5.83979439467034 1.56787434671491 0.348916156960717 1.78935952934758 0.976529297323685 1.2488567510912 1.13426444406157 0.562706395014932 9.11777168762922 1.05514426114174 1.23778141511601 9.610619651677 1.42651619572709 1.19206940615667 0.959927959166092 6.41757749684126 1.03314165518034 0.916427068975419 3.67592752124971 1.47535912732598 1.18128840742017 1.01722321531128 0.234089636457615 1.96188871180795 0.749150190960257 4.40974166523088 2.29892818171376 0.378943042154836 1.14946678296577 1.63550281415116 2.23339596973352 1.29511436078567 3.11029390650126 0.468678210429589 2.63918741385252 0.994412079313117 0.258944980473237 0.409849349586492 5.81721029318861 0.344030876694234 0.515791910751206 13.9185493481507 1.44423386170457 0.550770481564438 0.640372839133931 15.0901946215254 0.939471521077418 0.662825924649667 0.862751801918217 0.87295040776476 0.550314617792327 1.34911357827935 0.987245685446818 1.99690407477602 0.777698211003905 1.34985749770273 0.704838975993568 2.11953681369171 0.767584855272226 2.3401533425224 0.748994946014243 1.75368190759247 2.94340648690558 1.08982311049851 0.338324503216173 1.05959341976798 1.6959971930278 0.624299154318861 0.596581201183092 0.345402954858718 9.30350117734895 0.219869019928785 0.679556484034 1.79590404606019 1.28015520905123 0.39389052808408 0.186524559212038 1.69602501148633 2.00858513525155 1.33006511314036 0.728731442396049 1.44019659573857 0.328268579140822 1.15584618366644 2.15885326929704 0.9317388869745 1.29479220508845 1.09906512031932 0.699850498219619 2.19210440357225 1.5869021723524 1.85575590828165 0.948875954801287 1.65390786526533 0.847895847691247 1.73287100849989 3.19727953422927 1.38316516626465 1 0.757151138582587 0.389702504020216 0.503322062370779 0.31486815845394 1.53330407908339 1.01040051401332 0.850889472777395 1.94002519813921 2.79055392832529 0.563685425281415 0.509656594589938 1.68780510567425 1.12621503847921 0.418043231679302 0.156521902997932 0.867281723811165 0.610037258787043 3.04463157592465 1.241663436136 1.11271770187227 0.740381992304158 1.64961484895474 0.91457579542844 0.626072356708017 3.15150022254767 0.714294559786354 2.81965831753963 1.65462486359982 0.929171512462669 0.802029491155525 0.994415668791638 1.28720494486561 1.65857149523317 0.387311013955893 0.628085156788422 0.992613750574317 3.48858276619573 4.18150736560992 0.453863535205605 0.522536540891339 2.74959169681829 0.820883227084769 0.595315910004595 0.407059427406386 0.770925762405238 0.629713882667126 1.6542165604181 3.19115947335171 0.13620814668045 0.765194262577533 0.961633858832989 0.465980717321388 1.56010850993568 0.713875488169079 0.126644878532047 0.692266827475304 1.60529735240064 0.373522929588789 0.242677463818057 0.532935260165403 0.66790593412589 0.447852953422927 0.376679875947622 2.37794426975649 1.30790726223294 0.655790546749368 2.42495387520101 1.21388894871353 0.65413400241213 0.276355746037216 0.6191078710085 1.27031196157822 0.831852673443602 3.17526167298415 1.502530582357 1.18226923242591 0.304898381863083 0.776593548989203 0.519332931311739 0.619951398460832 1.47079061853894 0.764497903744544 0.18295482282334 0.249309922754422 0.227306419423386 1-methylnicotinamide 0.860588971365373 3.47918723811191 0.922682909204637 1.27272656989055 1.58361580575587 2.60771118531005 1.98712074192344 2.35658436233081 0.756954449910921 0.737730553522249 3.8109874221558 0.70742310003343 0.117305042487089 0.325446165204284 5.07119006010444 0.979426029231992 7.81822434448926 6.41188514894474 1.13777572437 0.391644135361218 14.4251254027055 2.11124645872202 0.225740744692245 0.289386695958652 0.184240775668602 4.14143526400051 3.71936915024894 5.22801701730769 1.03791970000455 0.11089257574544 1.93784658343149 0.318033280668372 0.800278776907038 0.570832723856753 1.89152667260217 0.658917010885638 5.04635444354041 1.01183420546468 0.536738217413207 9.04042461009219 3.70872843651244 0.221561977402825 0.688310739147426 0.680816728511144 2.53142976659908 1.27921552401018 0.624622523965959 11.7238795346475 1.21207640862279 4.83618826079557 0.360548202149749 5.70375469528903 0.391964516453909 0.495997555702552 0.511994550635108 0.92177990458045 1.59858506597346 0.632175497917884 0.478423910572854 2.04891914160545 0.348040969608431 4.32876285170922 0.557989957062955 0.742466173663252 2.0303723956022 0.0805015221709798 0.523520126437141 2.90882395296047 0.925612313931825 1.63200561759589 0.920608369471558 0.463143134376469 0.218974394974016 0.829594883880924 0.244621478707182 8.62020986198564 0.985216804091394 1.07064031996052 4.75754542314271 0.64772892790776 0.922448602182859 0.171945584281617 0.485622176886442 2.50965663455331 0.15490848470773 0.564913507928659 4.61791410673618 1.79067033352517 0.661652517017153 0.934227967640685 0.407704835414522 7.42005630996644 4.98021100414217 0.954088502905953 0.73440273408359 3.32241336850928 0.589271748417964 0.481309298978749 0.178756259569298 1.97258350138394 2.14951189816829 2.29291655752784 2.7756680868373 12.4029110766196 0.242159038700036 2.25506293354659 0.624663241640223 0.214224240169542 0.465981413979481 0.686137446168915 1.15726413101731 0.455176901801443 2.61062285980946 2.96756028045509 0.710023052388597 1.82607172268852 3.97751003072174 0.211549862090784 1.36687809963295 0.189654577022223 0.852256588970128 1.70076550258444 9.99984001561909 9.12046071378392 1.01629407933061 0.215869543457974 2.59637053990708 0.107317667027765 0.40410807316028 2.17908684585124 2.17231410500439 1.01312851209269 0.0585081023533063 0.99188522522595 0.10570040223908 0.340811263065348 1.50803205089153 0.95602604570461 1.91418610987154 0.142181479808105 3.87664843442604 0.167942469946491 0.326417410588884 0.944969393194293 0.306987761091778 0.792854140941086 4.41847450563332 0.465921419836641 3.68974575368776 5.57919324783446 3.47118729748756 1.49719795397295 0.235898309721721 0.266636339730544 0.291187860319204 1.93455102888409 14.9204839486289 0.474794058765603 2.13412123579275 0.282754353775977 0.386431242228207 0.647716145650523 1.24315079754585 1.82952808627859 0.480275688548757 8.48420984054443 4.39437510585307 0.586459548743025 3.97739725822644 1.27174398540679 0.161393006270419 15.9454060515948 0.29963971558653 1.04263284811266 3.92418698916714 5.92735348414954 1.37316294996767 2.28698012678556 1.66757709324667 8.72889904459843 0.323898068920488 0.212044556062413 3.03286503884621 0.843919877100658 0.659767134074642 1.41715308825004 0.93137876126939 2.87030358994849 1.43354107593826 0.0570254635964922 0.738914561640219 1.37540778235362 0.0895874392469106 0.180619995140681 0.922327686152702 0.154493473678395 1.39431366855215 0.235922018747242 1.83357614467948 2.32015379529442 2.94756893321858 0.915802549998469 0.325930447821228 2.73463889659432 0.871268341121748 0.819425773586847 8.85771605596856 0.45869995991113 0.546898462593394 0.37434355635589 0.588288854686043 4.15116276792359 1.85829424694311 0.196306608004353 0.508269862725773 0.716373566415732 2.82240909057642 4.3255847083795 1.16107489299756 1.69191616035012 2.9785235400214 1.51614620716926 0.946248443579787 1.39418378432539 3.00630031274266 1.14337208522013 1.17953649267438 2.84094253890883 8.85843753192343 4.46681153912087 0.172298745679159 3.14063369277247 0.547999076791163 0.374558277660934 0.247133192254323 1.2663251329999 0.493370492592115 0.12785988831812 10.1892737894558 5.9296308906749 0.414412221817107 0.745708949858194 0.344444928933227 0.277794322554283 2.1801470516229 0.661982278637333 3.55946321529228 0.313331265493977 1.59697243990716 3.93605047012421 3.17617578984815 2.06402127544867 0.318402110639302 0.692105110975248 1.75974696078641 0.904712189438825 6.47068507847739 0.956809783622156 6.11531193810254 0.255296828237491 0.238804623919706 1.26478899431159 0.322691073356034 0.249529556238169 3.55791831457279 1.85669945418731 8.07468064715744 1.78402799231869 3.29608882514254 3.35181390023057 0.278052132436143 1.27268327514829 0.472037936090157 2.81058251323299 0.346717902901645 1.76243113172353 1.00811477477405 1.68969843871944 10.4023261852683 0.205766303021757 0.990163640724973 2.21294426203957 0.349590509050302 1.54534191352659 2.5954292915939 0.823136545329028 2.58479342274522 0.593402169911865 0.644155977761759 0.73694794951462 3-phosphoglycerate 1.21267819541407 1.61774747026104 1.15409694041401 1.17093536090269 0.96966246277276 0.953490936520719 0.853310066720176 0.885581070044543 3.2792604239567 1.38469034009409 1.06626283980085 0.729426774090236 2.56515200839285 0.596145456750064 0.235842446016932 4.38744973581235 0.665748478949558 1.27758484120405 1.30919334353444 1.88078233108092 0.460828310758656 0.256003915257864 1.05318854962805 1.29297085566748 2.61837702193502 0.340159993111396 0.23476258696973 0.878503556110276 20.1401892521076 0.491319172154925 0.674124635415774 3.22540102617362 2.25533877831829 0.659554006791075 9.18438571264766 4.14157224489868 0.271503275382069 5.02785096187852 1.77378842055458 0.455688216839914 0.581037973871629 0.912834111596272 2.03206452091908 1.92035578236403 1.76383508997141 0.699722303131108 2.30870876886843 0.530033305172648 0.553728698813781 0.302203255129221 1.48271412774583 0.206763572813384 0.713553109690922 0.473235706694819 0.581654785141878 0.862723028455472 3.48532459253773 0.809237056298965 1.08731438000582 1.51673188435404 0.717924386143185 0.818670226950523 0.482975525684434 0.691361083689955 0.297407591435461 0.549957539309637 2.00292062772409 2.73952156708723 2.47828969305732 0.501403421369523 0.445936975419368 0.786784071683662 1.6706192670929 4.92886681138008 4.50890532254529 0.643400932158229 3.05199534492007 0.409082941346257 0.774443453036016 0.128048965325454 4.3165665227001 1.46908804629423 2.70442658737742 0.236545364843427 2.67317305905441 0.50936837032224 0.429754905384929 2.21060590284871 23.2100607014339 3.20312464991348 6.11409426932247 1.69548238463455 1.00310118999764 2.26461291358536 0.113314908073594 9.04646600970116 1.11671571722103 2.41550146888069 3.19055118940455 1.26502631772019 13.5525675647773 0.161789068997194 0.644470247423034 1.74919592676113 2.36200055969912 3.12566123793671 1.22937251754332 0.351013938441005 2.03124474183769 0.555918290958311 2.38000670408831 1.10271972473699 0.543866747678061 19.2343034931112 0.640784316826603 0.526276204045034 3.23580510345428 1.74193301798638 1.80685635809848 1.07584362340597 12.9182448292632 2.02225441004682 1.19939039364772 7.26896881368829 3.4704376504411 0.851242606721749 1.51277445136087 0.396918931053768 1.98686684037548 0.268022948542388 1.61903117576793 2.51530364116345 0.590592398020756 1.18413090457306 3.32010527966724 2.39116729775598 1.8626030929307 4.88742535331556 0.321899919296132 1.86684960129126 1.04730863364442 0.635393808075922 0.690141519525987 3.57322371314234 1.40973973112476 0.580191835334236 6.65220499046007 0.969646647099164 0.510728518251507 0.213606487589309 1.30929438811575 2.50155015567455 0.659402879243378 0.995980622285251 1.3251821108916 0.323847004445522 0.341425246999086 1.52260389250087 1.69691018850086 0.675545410093827 1.64050183132321 1.04698353368716 2.51419390806613 0.371446031430137 0.482045036887862 0.76459643892536 0.527134643661891 2.82894162830268 0.766481140028899 0.269463932136702 0.261116771072079 2.22491733015614 0.258255891448246 0.320226972489075 0.128771214419677 3.3353964000891 0.254432891680648 0.719511225393997 1.36688452757045 0.701794156372201 0.643255955150264 0.248156705208585 1.97801269910725 0.655770546207467 1.89275303869612 1.03754596979294 1.51345540397404 0.310993255054536 1.34386745059689 4.62913607322305 1.71501474152576 3.66076346649691 0.806087101307737 0.347161943271815 1.75571549887687 2.3416616034545 0.871184413829401 1.90585368832491 3.04011338080671 0.762097562497172 0.996823246228511 2.35425175828555 1.4905876972511 0.720946937097112 0.484524583048322 0.571817436165086 0.525379982541254 0.4688178618703 1.10424242264488 2.07110902578526 0.70080479812391 1.13042087704061 1.48033035427548 0.434130575079858 0.863164988667631 0.86420179393671 0.404398866016203 0.328882539188823 0.276866546028223 0.626121430105926 1.37580456747867 2.00661798075145 3.08943543756477 1.7683900039671 0.892085705135217 1.78275678613212 0.932377890918421 0.621012967534376 0.390242959499135 0.50552779758398 2.99438060330644 1.78002067459998 0.758578575122033 1.96783267720254 2.36628572859513 1.73927862076783 2.2735470118701 0.340853246804026 0.408519727636528 0.978628192404699 3.65924779777728 3.04072492018576 0.386464770806727 0.901113818813007 2.77603292823243 0.915696748517171 1.00892750842075 1.8396167686558 0.434352873158737 0.503941836981702 0.940127570980524 0.979117599637645 0.650646267962322 0.865969634785344 1.74180297800347 0.295826902724382 0.783528678868459 0.469800190930326 0.226309988081133 0.862497215782461 9.97540223431536 0.661520422208193 0.456167080290464 3.00205296229763 1.42974040768413 0.723401002450111 0.529421765793598 3.28612618359449 0.996898810002359 0.422572832275221 5.7718044321668 1.38113708542616 0.677481072812286 0.632243853084693 1.10083414498492 1.14882153462117 0.313350669068892 1.37109676863822 0.138613835287667 1.87633109761214 1.31192857641804 0.410786640851973 2.20348182054219 0.820635763719108 0.839547794745945 2.58700224011444 0.861167820551853 0.34963182429841 0.691253888568914 0.696360593843398 N6,N6,N6-trimethyllysine 0.538356176163404 0.53673944665955 1.60408867574873 0.611410005145458 1.95655683510947 1.15924691717054 1.9291625698539 1.28734990837622 0.314970453365769 0.470282853430837 1.16960903267361 1.44045646960223 0.546834201556885 0.392428324162174 1.00808779850879 0.318584565262409 1.35083543556365 0.973091426861249 0.99624362545091 0.720222873890361 2.97318806626266 1.78097633117445 0.526429988133175 0.835017807763837 1.8021024291474 1.064273206614 1.44834520878245 0.751916830427845 1.55209024243679 1.6406975242998 1.37889007319835 0.430096100299648 0.735173364496489 0.630557018197084 1.85737696413449 0.837278098703794 1.61697679068109 2.69271547441285 1.63039320276408 2.6327893172422 1.51356281631655 0.605597618769623 1.36434015496212 0.670957436269092 0.958022894607675 1.05805703395617 0.612460043668184 1.33659137337445 2.70162052485556 1.01416836214015 0.524886730767403 2.24376592596468 3.22454176773257 0.392724722877701 0.723014867824572 1.63681355292432 0.595514293206066 1.48174342688646 0.853126776130982 3.44863368185526 1.01288418974463 3.43204813793027 0.902329813428451 1.37067824929477 2.48642641670158 1.19158318947094 1.65767811221427 1.29905889014094 0.817003529376013 0.43775768664564 1.53502009024357 0.604412076594601 0.643894444815031 0.84315762347759 1.24536742137464 1.34473587071192 2.23954574325528 0.908771328742846 1.02245083565948 1.22337023279506 1.35378693211674 1.27284766066056 0.690096700556065 0.469256226790046 0.901015722296167 0.96263640144961 1.25658610842945 1.45704176890862 0.406587714444663 1.16981133225783 0.30155524179561 2.83820422849598 1.59956965566451 0.450558574347732 0.924521914110457 0.631834047729417 0.875751317341737 0.596869171667784 0.479972094662507 0.508848112640469 3.09158680794457 1.11642036050949 3.40527186205844 2.08812934980093 1.59075783501623 1.43854934394702 1.04242057633836 0.431050063925427 1.9119335472868 1.16302986482658 1.10294475448807 0.412880757557468 2.17981348960573 0.681005559334077 0.466011342211922 1.00375637454909 0.774695684579742 1.59546798125958 0.430288697933754 0.386325379810366 0.327210855872507 0.501068891090247 2.22897660891065 0.712958781483237 0.741129048449631 0.676232252567578 0.274993673316184 0.449449198878781 0.433166293325365 1.34704101717684 0.627794243014093 0.47844531330045 0.474899525261152 0.605980510859608 0.435771910464699 0.253897663431335 1.34028258529122 5.88633051115597 1.11430553484399 0.491047894346591 0.549078976150721 0.501185434919174 0.76762667362638 1.60124525545756 0.672010259680523 0.690151664474351 0.484435533636893 1.62325540129635 1.14479874898283 1.7966832238963 1.72298961565807 0.459875265211255 0.278165307794649 0.630174668031388 0.619424158401459 1.46778746519712 2.00150889033381 0.439198087534133 0.811118995565911 1.35556993829308 0.54806187081861 1.72489738484838 1.19110502031699 0.880247941652066 2.06663799109419 0.553738986870661 1.43228886145188 0.863545281866959 1.16483077708462 1.43829543736442 0.826682063839622 0.409043195975911 1.17434281283732 0.308047404450798 0.96821166207897 0.575090152774667 1.08669602779846 0.272868987639328 0.604792323040316 1.57915519083967 0.309039148478882 7.19659391552623 0.609549793574829 1.35505521182983 1.33474344165766 0.501786444008542 0.932389062876483 1.31294141732583 0.444527359696884 0.445277254957784 0.672671576663799 0.366585396212984 0.974833423669729 1.04581236755902 0.790753070598528 0.656960017371684 1.0861255546374 1.17180052180911 2.49699968698227 1.04137000718144 0.988259737161075 0.49140756648616 0.994546657282094 2.42566850735893 1.59320458930842 1.8655959685349 0.931728622756812 0.841272366725435 0.978274541290726 0.691953423489087 0.344295918510393 1.13582640208091 0.818939049605924 0.261735680003492 0.662474446999664 0.699992633216704 0.976384113677651 1.31954134764716 1.07749344210456 0.779201608160326 0.669933699891173 1.15962335885615 0.664227643576772 3.03412610521742 1.13921251438663 0.583716307903693 0.23588151088868 0.604721635790938 1.36106188935317 1.16600559743813 1.587177514357 0.506569328534167 0.32706326806125 2.77112839268361 1.06343220785882 0.242076251193574 0.40712342165727 0.287255760321188 2.34024623120353 0.458480769826032 1.53463563635789 0.263103707655932 0.297316516996148 1.47081911385782 1.37723284238066 1.55642725499071 0.746560590005016 0.394364382553011 2.1708100460344 3.74907323702197 1.40030387651804 1.57230211789845 0.382717086073101 2.1799530464001 0.637354291753408 1.15630661285936 1.48940022247121 2.22595791374579 0.986446503652203 0.824574196632524 1.15530689426483 2.3717860253344 0.250599553608684 0.511947347539339 1.8095162394293 1.94785479176324 1.00895105755678 0.750061763374593 4.81218900625669 0.640079365564719 2.64406964442146 1.01160935048963 1.43163533463025 1.77244806864675 1.35095889269062 3.22508863331681 6.09568815870027 1.79639613197776 2.6791546470337 0.925032534744544 1.94637016006806 1.49199703334086 0.59306599217164 2.40452489093068 1.14904812409991 0.853914568458445 1.53239103111539 0.866045363014477 0.667789971596958 1.12798106953086 N-acetylputrescine 0.676113132392796 0.533473573897518 3.32134656479299 0.705904230676768 0.239353079455504 0.846128272755438 0.8460906627156 2.31046054770665 0.393919199472624 0.55004137684784 2.97106267283642 1.14033536315337 0.491939669317207 1.00780431542705 1.76145356303472 0.436510364061703 2.28977804388558 0.887063086546854 2.65118568552597 0.440158537925953 2.98165291714032 1.99532950631831 0.422645144282676 0.545647850928661 1.75653210359337 1.96456855654408 3.65595693696871 0.816553896522012 0.647218522805324 1.00762973055076 0.665767121187094 0.314324514978489 0.47437369126638 0.459677800360569 0.511127057974368 0.288577772861129 1.37446703149179 0.501183961732481 0.843119005246949 3.04952882397468 3.08948148175664 0.697242777798608 0.823167923836419 0.998857653080117 0.660149411687273 0.341139428659384 0.668694435954455 3.48736807611065 0.560604574425568 2.11374100217523 0.47677887653007 1.97013217259154 0.723143326406044 0.544695295413514 0.66796196882058 0.934056831323963 0.57355101807708 0.220423389219454 1.85245825140478 1.81308924572253 0.954321445813509 1.66964141961185 1.38931452336065 0.571126215230882 1.25705626450352 0.380127226406984 3.83199885405459 1.00473062331328 1.08992699821619 1.39574723313732 0.988619712698763 0.655354944170566 0.773382214003216 0.920002284461679 1.17072659694957 2.81923198673526 2.91761752934309 0.858343177916035 0.528545033553611 0.656333733849303 0.86671640323581 0.431221045928243 0.870753330258751 4.04821943740256 0.655934649537693 0.748668471097323 1.97134962351073 0.959543089091336 0.271068093789689 0.34505679290136 0.24283537447121 4.34184705459411 1.58723770624725 0.298393993258749 3.50604935435518 0.583386739976837 2.06704825379719 1.3239096193597 0.445827554949255 0.918378087926469 1.52057286591173 1.34407208312376 2.67684606384815 3.1068978322107 0.937303251028095 1.76941342615739 1.70983773009016 0.245878885688811 0.245839186202316 1.78798407980943 0.593101506131191 2.63808926603659 1.26816956695405 1.02965609681381 0.68161255599572 1.28191475963064 7.50106788136261 0.498861773933248 0.311867209628727 1.12711322862342 0.449771501595931 0.729880398912513 2.13559289964237 1.24464030814231 0.971176315518518 0.264973410050076 0.608543213413412 0.718323321207965 0.74297345207117 1.8228239777005 10.0698930354216 0.418877871958941 1.54724093792475 2.04119204789105 0.904688497747054 0.950099138439887 3.74990553959902 3.35914523523165 0.746625340507255 1.94483814391668 4.84599489641046 0.553531101007218 2.49549962210036 1.38184881437251 2.80423022405485 0.65088666249319 7.10652428558046 0.897741435851492 3.59749584461296 1.75541610691745 2.24623165393284 0.33420339439896 0.767831366796441 0.572402286736854 0.767037493146905 1.75014675460761 6.60081481454826 0.568956208796547 1.64586432921043 0.39542244026243 0.371290724331061 0.922822921369131 0.704246602995036 2.6267530892759 1.43649817562287 1.90356135735562 2.68095066572673 0.598911096482405 2.77435264589532 0.501796285683541 0.541060354711429 4.36625782773464 1.95512843654484 2.16629546099055 0.386518495491613 2.67516835426243 4.53455323741767 1.98587476019247 2.09170848365258 1.52438947239266 0.624115859352845 1.68853895558545 0.756952082371559 2.03786959554465 0.441858651023057 0.653883973723583 1.43923767235178 1.83735213247185 0.820099339258927 0.884697949010769 0.61585755359924 4.31376686488164 0.139201954421971 0.335408076477462 1.46676833759329 0.942134399941681 0.234941212837885 0.461027698981778 0.95850091953065 2.06602988071233 6.93598724787489 0.470452844613308 1.99917257912357 1.86865831174335 6.696535500105 3.3162966043822 2.30040694295265 1.90573763212993 1.82240748133341 0.468602523517593 0.903647372909697 6.69452580066145 4.5902189983866 0.798643624094152 0.0337988891340764 0.48290269644252 0.991857774616264 5.02856946847147 4.97949927803814 0.65859091664141 0.261775744101289 0.695668263661702 0.873642454584426 0.760009174992435 2.00388509389915 1.67206459733287 3.02563042958675 0.618727176422777 1.32857523766585 4.34258045037094 0.225947654021529 5.45066381139912 0.192256023149212 1.09494132195343 0.563561605767616 0.980704076197012 1.2220439872632 0.392312531073264 3.92132037706154 2.81801383933386 2.05542384947812 0.563740601697954 4.21302372996177 1.88200999196608 0.469388851943087 2.07962463322956 1.10440930124145 0.257406943300892 0.816303046842724 3.30845142866496 3.41683485744924 5.95595016948314 1.70203434330607 2.56526253142731 1.61489698853857 8.83318391855058 2.76006582221293 3.78938900052596 1.12181323109594 0.678276057924569 0.875762082138238 1.00114234691988 0.567343504217954 0.398691147397577 4.06264880777915 1.19172553585891 1.52579996496694 0.681135697836297 0.267249862183581 7.96913086332105 0.66388894080261 2.90711550612028 0.648658848034661 12.0156955750511 2.11083713564258 1.70198663427405 1.40334910439932 0.97778569961813 7.49183322361804 0.340094008848342 0.690820631335594 3.025924577244 1.36542332595565 2.01892202893164 2.20044293947535 0.983123771506936 0.654678892096448 1.55030638833225 0.145271332640953 0.565419472087372 adenosine 5'-monophosphate (AMP) 0.941754049317948 1.84553469399851 2.73316520160722 0.387769925450912 4.48995563431146 3.95477708230506 0.816398458662476 0.815671789462631 1.10790318249543 2.24626076193542 4.09710654024827 1.78171127804986 1.28945366565851 0.337803472701428 0.136915085246736 1.30750336411979 2.72416859026068 1.92937264977325 3.01055313075998 2.64348984171646 1.86278557170817 0.194015737413017 1.48951703447674 0.880356085086865 1.07992555935437 0.888459391506882 0.0463584456880805 1.99351902981072 8.44814681638257 1.04908356255588 0.632841260466136 3.93104781124725 3.71875904914133 0.253519938147223 2.29509684037403 2.33967576252219 0.609224081997662 11.7229777675515 0.629866082639939 0.085995416014359 0.392641873088642 0.579044333370662 2.96835263297869 1.81276071055965 1.79959885025643 1.32650950011537 2.63243089851551 0.827214749323284 0.35599103216338 1.58077715166503 2.64873843763331 0.782941612323056 0.660055494421193 0.793331006302631 0.842115547918562 0.437965931798102 1.83356290482577 1.30660125498605 1.37397083380889 0.235841304809277 3.12388110068481 0.252325787018282 0.843067475980888 1.10981906387871 0.206162107572595 0.13521179325703 6.47781806835909 2.91765650471471 3.68031429731314 0.391479932473878 0.223350926358283 1.64026632082596 1.07746617922853 0.78770748000076 6.41305539381702 1.57517874956422 2.19332621767286 0.844220827125204 0.683148285718857 0.206619926347438 4.20142265251652 0.353508460467338 2.66695691918887 0.236867746527733 1.88958879950233 0.367309162635074 0.281551030741822 0.746129718826906 10.1845653872901 1.67819914021548 1.08500279533579 0.692978505172311 0.910303703275025 2.36140025117759 0.195720317823291 7.06568228472183 0.336340685884247 3.58491491431627 1.46079856950959 1.26761901704462 6.696231981841 0.145701684040839 0.30040384468992 2.51364882959339 3.27726928709221 1.62279254635818 0.967315669158937 0.397046553534036 0.995219852327677 0.861175797577963 0.745847769459472 1.00478014767232 0.546805903414196 8.55147127428767 0.350676082587329 1.41897600842799 8.44073131180862 1.63521399430883 1.96168301654472 0.801634876857594 5.37177192937437 0.961434029270124 1.53963917137808 2.06061632242037 1.62918139447691 0.59496319895071 0.682491835439919 0.219348447866585 1.26325170079568 0.840102176045706 3.20415915043266 1.60059069788266 0.542819744916349 1.00663955328741 3.22234585094756 1.39349878013414 1.89486144593642 3.67603781471417 0.0611834422066607 1.77713416398523 0.890500034948408 0.161969926331333 0.486039265260993 2.79496687094933 0.647595393853525 0.556615937612099 2.64447032976802 0.317458452999867 0.228905951633336 0.100111781221034 4.04787599037936 1.13550115104272 0.112962273220533 0.34967455033317 0.593005014425479 0.174653997340915 0.242097445609594 1.05691393855243 0.9100305581148 0.303337148847685 1.56383764225908 0.542149336747934 1.14575032191725 0.238657147958675 0.508792772475987 0.892769158303833 0.469147427416022 1.34904504951776 1.4113178513139 0.0669353810917196 0.164541613783266 2.07671384898573 0.359897308586067 0.163254911110255 0.0877191079963782 2.16129307606008 0.337147022422491 0.377636282953906 0.878240283778925 0.833309837552714 0.567027664214838 0.0887133392006574 1.24382468074817 1.24508239395842 1.36654996081591 0.111145814957682 0.386391744917637 0.172787505412708 1.16305295118636 1.903508251099 1.71559919770051 0.866373071408885 0.347653662673672 0.28864378596371 1.01643391170175 1.32988129673947 2.00674015746003 1.52167322025367 1.04676118448368 0.70839488673119 2.15804045833844 1.74414329641758 2.60242787824297 0.356977962317778 0.239759177017068 0.481296159679974 1.88116918583309 0.368444690628211 1.70287797723125 0.731481665399541 0.411103866131385 0.768077104240418 1.25009005522922 0.221773255373868 0.294640095282996 1.68631039189566 0.0962935468704318 0.291582243803744 0.0893465979093873 0.832632987281464 0.502489389588209 1.98225952247483 3.72901981580095 1.21926845842304 0.817658319240339 0.839404925782144 1.78619669951745 0.613357764650442 0.533218434850316 0.19567844415486 4.4460267203394 2.65125794405227 0.515540875196176 0.571436639395456 1.40145112661105 1.59311871754053 1.31225956864324 0.302303191342587 0.351454503346619 1.02636462795944 2.673862423955 1.0901547597101 0.332934960851878 0.393049658198129 1.58790125845405 0.372321118641094 0.600596603143596 0.824375929340439 1.66737297166366 0.383313063972551 2.02556548510269 3.7213133429156 0.17010952326399 0.345034518397518 0.89306077082552 0.0426132218362806 2.7679355927148 0.569475663292329 0.307689218786589 2.22455602906204 1.32389808636262 0.161274608698621 0.347209801788306 1.42820389126632 1.67866189793583 0.460875337901715 0.544713937886748 3.62885950407189 1.02756049698247 1.42768766409244 9.69956802479436 1.67320028315189 1.74110477124683 0.395186718445426 0.761937565501423 2.29416724493487 0.0686811909601407 1.56603074880104 1.43776246871688 2.62406668693066 3.54216619358369 0.983274261039805 1.74712384266281 1.08783281111143 1.70499678485384 7.5241978803549 1.0420764873017 0.0967197993413809 0.407510246432981 0.206198183348474 5-methylthioadenosine (MTA) 1.85612937639257 0.401666325237623 2.20019927335675 0.684232244039412 0.768203010787318 1.01430430775234 1.40010765566161 0.85215007770622 0.413423063699621 0.944332023566071 0.281215353203746 1.04099583434923 0.358156361082803 0.48459981864761 12.1806092544261 0.235531822539576 0.190630710887734 0.908239781234346 2.25824437510531 0.771004135782489 5.02316674517911 0.571360996769356 0.365396821171155 0.499009963992493 1.09399059993358 0.555229854252545 1.52910614958618 0.975622290955334 0.42045087463732 1.19698583626795 2.75530088880852 0.120237998228032 0.912423288036359 0.560034426436542 1.80742850037546 0.37124353652095 9.81833366826927 0.232044701124054 1.22764172741236 20.1677090803785 5.08035151066931 1.01675480514033 0.715051112090127 0.694342980678796 1.00771250873728 0.851686794747469 0.257756418351979 0.566950555988249 2.68927673641018 4.03901089250634 0.444334133824818 1.97509505092379 1.08155241022391 0.545806737309472 0.630485901685967 1.10754365557201 0.536185256044187 0.874824645614509 0.725118669588996 5.67576750922264 1.89056230603881 4.36344726674417 0.722692196685206 1.15631985159362 2.50497387986654 0.57641750138222 2.08812115872035 0.486881170680649 1.29133193363658 0.984454860104455 3.46712362967102 1.0849853142224 0.359208568559547 0.363267083112703 1.12955657619933 15.9851294935931 2.23411372866163 1.65100281118931 1.53915033191124 2.55636777069993 0.316666076876402 0.590433515324212 0.767958545427865 0.84913338166367 0.711577626192661 1.10885688582299 1.47224149411514 1.58461991480399 0.0977309523987311 0.373856686160047 0.230978533474061 11.5460262042191 1.47383197989995 0.985497977235827 1.31559861060564 0.139171564360782 1.72218508527556 0.682792398263614 0.355706188350008 0.841779292258175 3.03469232914452 3.8291070261552 7.61594849150588 3.03610295595306 2.20464899741607 0.603340507130889 1.08181765351564 0.913141749975894 1.09118460511053 3.31024050131956 0.90434034772519 1.4558171879601 2.70844372962586 0.430123976078107 0.969390859203212 1.13062988626355 0.172173413921409 1.00982341679461 0.853566872963397 0.586485383536281 0.143177809428052 0.427750097315394 21.6177526004069 0.346954782998847 0.992287491262717 0.756859558384529 0.384630368701162 0.986969963875617 0.809638428266299 2.20926234769208 0.121115541211568 0.693638803567701 0.544883093288695 1.04450405835223 0.68312744242159 0.497895098063724 2.6371147113929 0.56666096355713 3.2232890752554 1.13912968384104 0.980483677797903 0.518635370339047 0.770887909223811 1.73734226221686 1.0590654930165 0.712316216754091 0.733860984594787 0.798300819656963 5.2678457277487 1.54542526745906 1.08846009874063 0.369713436601821 0.895892819633588 1.00823163238903 0.423536722235732 2.31841694232598 1.29838993750712 0.636919268967412 0.832271440310033 0.873404279150222 0.593017445996044 2.27995796364576 0.531764101641749 1.54476037362618 0.310454773746173 9.44458704021926 0.495126763242929 0.913341737574066 2.95045112462182 0.816291262457426 0.698612196451454 0.122965426494656 1.73326102180027 0.657362481742204 2.22333582560302 1.58870634970364 2.14065523858748 0.777370624094415 1.40170430989507 2.01781999882475 0.988158526532933 1.81333138107345 0.449189676873934 2.79316931969479 1.03268336281744 0.493937551275229 0.691267846701714 1.02376411073209 0.845093047801256 0.31786048332717 0.657097887760856 0.517816589945234 0.720948148994657 0.66674728937264 1.55407148452807 0.454371173735655 0.972923432345592 0.706230555183104 1.48185128779352 1.3031954836567 0.974259713115193 1.36386120211377 1.21556812548313 1.69817910642554 1.67312871182339 2.87069892743664 2.88332736508872 5.21477239560794 0.596587354485485 0.58419851236498 1.01390173531447 1.20628331165178 0.804498487269134 0.614858299371695 0.681657403712952 1.10821471785354 1.18500768296512 2.40732636385211 1.16945994582804 1.68320633363321 0.955168689214403 0.95378987861467 0.659985046381864 0.807801853846076 1.09297800039024 1.10077427016701 0.463482621694564 1.61016313598735 3.46270442319973 2.64197025444201 1.54845559901967 2.00367769401313 0.628715232269687 1.2457406050469 0.822681775253548 0.411638758765284 0.479009905554558 0.365411755309979 13.4347292099743 0.500716676335981 2.30959248955665 0.355861373531706 1.3717425315508 2.18738350965898 0.476194820386138 1.27982777691383 2.3381270836776 0.423556201547242 1.2679931212058 3.6273864185695 0.817086018367043 0.787408637970827 1.25488841438729 1.9581954495679 1.05110559702304 2.24560100331441 1.46512862351718 1.73594884213349 2.01173368794338 0.762030341624919 0.904482871354406 1.47660778179016 0.412047824306999 0.450144163137935 1.83660623643144 0.755367767778037 4.64314355830531 0.168924264761503 0.947019194588907 1.31856368647269 2.10432372537937 1.08356267517177 1.61210717127607 9.5315037281779 2.02655452210593 0.914406931258484 5.47226064877146 0.735687819359254 2.15831031257477 0.484114134480622 1.2101960560238 3.07262991158665 2.42882340737961 1.54383023650157 5.1773760133706 0.477563566674924 1.95563456941469 1.16741916329215 0.579950074524599 1.98040381262071 N6-methyladenosine 1.20007845281539 0.468648590821021 1.42712208922225 0.722657410819356 0.71332033710937 0.604776112306394 1.59569460458592 1.55264065044516 0.839766067968666 0.971661892139266 1.33052408858036 0.747708821187015 1.64476921796807 0.848265122968845 1.73795570981968 0.729212975620193 0.68025128674504 0.925523315938997 0.428893220963543 0.479905381149928 1.42054275084099 1.09036337917672 0.692482793871171 0.805122017901506 0.702259678818929 0.584473474627646 0.698241943727935 0.324485599153661 2.37537294804284 0.699240434105579 1.48994971887741 1.07041140180917 0.535214615997242 0.808248243726746 1.33419710675526 1.12865667383836 0.855694366850119 1.15008261319196 0.885013134903182 0.763809478526514 1.24250240707502 1.25375325400882 0.634606012338488 1.00859414932186 0.909927847183425 0.718532694616473 0.880204928263221 1.71534109144508 1 1.15133666955912 0.554548480273872 1.70957599819321 0.692399586339701 1.87534917446242 0.89632935918314 0.514709902884924 1.10457998026793 0.608235168257516 1.12645761764951 0.91000511131979 0.658629215352978 1.5062702818358 0.62473403306905 0.758620894599831 0.86481153494122 1.1607866677761 0.972660382516909 1.06567451591047 1.31277711079677 0.552337537294804 0.634546578387438 0.422492184435437 0.787826738145899 0.762882308890131 0.661523648769123 1.07001319433713 0.851034745087784 0.61266894100586 0.775577400834453 2.61981290192209 1.39445124632995 0.863527761598536 0.899746811368526 1.97688019304147 0.65020148109406 0.679074494514246 0.841424275202967 0.734039012445469 1.39153303933339 0.807428055202254 1.22622344788237 0.976517645940067 0.503839433237843 0.879426343504463 0.852181820343053 0.767898534358767 1.31565965742271 0.455406706527037 1.59343611444602 0.505152923556052 0.632840823992297 0.888448417273884 0.898795868151723 0.608954319065223 1.01831754371367 0.462134629785919 0.737545615557431 0.620193279208815 0.661898082660739 0.504094999227359 0.514692072699609 0.784028908673791 1.16227251655236 0.508231602220452 1.30427211240149 1.27220749580991 1.35548040462634 0.698087415455205 0.533835748332878 0.918117845638142 0.89644822708524 0.956743970425666 1.62655271197119 0.980897928132466 1.0318447109727 1.05948744160614 0.695805151734877 0.848372104080735 0.710211941469445 0.500641886671342 0.702818357958801 0.610154884876437 1.04056367159176 1.77825192863171 2.14319421826524 0.819558524611599 0.899093037906974 0.987197926943787 0.614814506638772 1.74933731144579 0.921612561959894 1.10583998003019 1.45177529211787 1.10070488665946 0.477040664709309 0.668513081412626 2.06587659134404 1.52495037265087 1.85696625340259 2.80138956577555 1.09630677428174 1.29816824562863 0.875557193291096 0.60651158367706 1.98759019102072 2.50854065876591 2.21423561995554 1.0826369655402 0.996974811891545 0.871456250668632 0.475750947971519 1.95447359349555 0.4263553912537 2.24157523743864 2.1893209076753 1.13002365471252 1.05799564943478 2.03207650338179 1.94145755821556 1.41253105423942 2.01374707287791 1.22196797698717 1.86849643990633 1.14509016130374 1.06573989325662 1.41562161969403 1.64455525574429 1.97292189190153 2.01055546970652 0.854327385975965 1.29195739774389 0.810263054667348 1.67578779702117 1.85516540468577 1.88352728612693 1.84425927466806 2.07238460898404 1.37972945665482 1.63273384288041 0.910343884840776 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1.89977334575832 0.850999597772963 1.26224391575098 0.768633938494908 1.35604457033601 1.50538683692302 1.94172145353946 1.83616761868631 1.16996122398032 1.09915769866244 1.63568910767808 0.685644423539777 0.0177490206845775 0.872146251944156 0.42464969226657 0.824963357007796 1.94551838957019 1.31570038149931 0.935389104218395 1.12251087187554 0.828212738476323 0.724969251742644 0.674445115673711 1.14872402449474 1.40484403807921 0.502030794745657 1.35262235058827 1.69361066858841 1.38680606307642 1.32519911571841 0.601595457688614 0.829262028488387 0.808304880939842 1.29980585688554 1.22960047300665 1.3753935682148 1.40389206319142 0.791557064810948 1.13611041210434 1.20888040387578 1.96144013953453 1.34260177929196 2.01436791917112 1.426063338642 1.16462010957404 0.942288730814481 0.565274300298433 0.989222187640922 1.74371244384851 1.51593073238188 1.17289185162885 0.34790739424381 1.37021780081418 1.50774518088412 1.59629753726697 0.984326495555093 0.654441839858488 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1.47808572278232 3.27674787701362 1.18205330837556 0.898769480156663 1.04486390318178 4.33718897442936 0.923437123346823 1.63319661178526 0.872839616263077 1.06801226781424 4.36298858876728 0.828695510700403 1.88511074220296 1.0940261064773 1.66744247175665 1.29472999982081 1.58948177267751 1.65548735847739 1.18402236328029 0.764597620167502 0.94268572591913 0.587174980658718 guanidinoacetate 0.666627170126032 2.12791258504099 0.773706849079921 0.713513361603742 2.529952429455 0.222613136701325 1.50312668287544 0.566109993308375 1.02667079861246 1.80866736393252 2.71351943799461 1.9011143341301 0.408584117377642 1.79855473043231 0.586348172639379 0.411087590414797 1.99144975850144 2.09012958663073 1.18247325818357 1.19751308512796 1.34105110928313 0.503610515498215 1.37653343420142 0.172567981521695 0.412684921663929 0.615503455567531 1.75701196517317 0.293817044428291 2.0161449705333 1.88895851420091 2.8609478714023 0.409121118420503 0.238456566337858 1.9562674553822 1.60316154616804 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1.75521259392771 1.09807066994488 1.46859075583466 1.65652137256555 1.10592212649375 0.935126172458606 0.192885153933969 1.69244347627283 2.56669256728274 0.513474016972879 1.61205966104373 3.09398961392891 0.736359831714355 0.895935730013801 0.892188875495511 0.80894915655897 1.19018723638907 0.973574535668794 0.970491526852711 1.14213741606036 0.998698133256771 1 0.95996417967584 1.10821292585056 1.15900623665568 0.553638201054102 1.46916345567387 1.77421878501046 1.79620164806911 1.02767112445892 hypotaurine 0.363282250869873 1.31676007777369 1.01299524321761 0.377234095208854 0.505378218012182 1.55352568427574 0.696654190606734 0.488382295176185 1.57335644618586 1.0084733771516 0.896282804289026 0.311918616244518 0.439099582122103 0.488124979854559 1.30286942094219 0.644761174778291 0.520257162352856 1.97687494639264 1.879356810033 1.90582587018743 0.643971200351391 0.209920680230262 1.99587803800072 0.557587551401604 0.839737898941183 0.0789302456951584 0.73408783357435 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1.62867541611603 3.40462588482872 0.930200897161828 0.685956210504693 2.10678913637657 0.570819349893659 0.990039001572847 1.59300255293949 8.95237372018407 1.65402398003976 1.87535121356134 1.40727716138041 0.857708451360575 1.21908405579208 0.366384785289212 0.884629315699676 0.351223395043484 0.719192499722744 1.35025750653259 2.57349739597987 0.42569241586308 3.4635642050896 0.573202931100135 0.809729797059612 1.01593278989357 2.53156537857858 1.17811683426763 1.95016004357425 0.843978958053232 0.532987988127438 1.97192640672538 0.754471468319895 0.582989108077352 1.06449709605182 0.858969897385272 0.742661733059665 1.40340431994729 0.795726052602682 2.150676422432 1 0.94831130674117 1.22485480259107 1.0695057305925 1.79581346332765 2.89463128790416 2.02140196969142 0.41867005674595 1.53292024481559 1.89775458237068 0.669141664923005 0.831857275768272 1.02071197128121 3.26876667291289 0.695659893610221 0.704238163631785 0.857293796734007 1.35666744425791 5.77994732411187 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4.22428167394431 2.15158791035923 0.829028806325822 1.04834485364823 0.607494092504888 0.102308747723197 1.54480065971907 3-aminoisobutyrate 1.24883092927263 1.44204523023231 7.23533491922434 0.783030629945399 4.62272760317023 1.07497321706915 1.44127013570622 1.46465752644984 0.218971550978117 0.409656265239624 1.66034555866439 3.93389690673642 0.749405885906396 0.605167960862383 4.46989890915018 0.525031336223122 1.99431676685203 3.69847410379695 0.379359977854442 0.179493911911904 1.59903250300427 1.21897043852603 1.40214077175717 0.617874621475241 0.590115552726995 3.81793536653356 3.98791664888037 0.535941464323273 2.65614069673133 2.37100892936835 0.598723422420049 0.133210497925794 0.115814463688141 1.66280938133435 0.554721518316006 0.646933370587543 2.23498995559246 1.2906393624356 1.03739530985025 6.06996206020953 5.08916135341439 0.376787031395726 0.87951879979355 0.312835653313361 1.00265133552461 0.968066390105903 0.447638121922162 2.54563663951507 2.51292038076907 18.8125690528764 0.713437955571768 6.0336265808785 0.425972729401203 0.14595115300485 0.718233762403517 1.03732944233812 0.656553235359937 0.548463328534267 0.308171141699232 3.06284847238338 1.22990941276759 2.09598391859955 0.321780182054078 4.86870907696228 2.20587659284383 0.518909667596728 1.18318145775205 3.10303495039887 12.9849208412725 1.59108561094963 4.19399211193855 0.249683921316005 0.75700132071347 0.327864415374088 2.80163996134876 2.44053713326271 11.8610944717599 0.41333876623889 0.752519121887236 0.587441631837861 1.80804287338614 0.675700527897323 0.0830400469816976 0.282944712424667 1.15468573875227 1.67649453410895 0.47628319408279 1.53280378026743 0.373855694267121 0.635938333934834 0.506951273304901 7.12923337821948 2.70241122696998 0.505847358637738 1.44530075659678 0.120735046250842 0.88940335055047 0.294826632103039 0.785389830376927 1.70819558977424 0.131805755516663 2.35806655826727 6.88795636083289 1.27467140622999 5.77824004905138 1.7629220494472 0.887207163156622 0.588293925364813 0.617317826268616 0.393205142633174 0.879047973849615 4.04309484171488 1.4672518164661 1.4634972130488 0.583129198374785 31.4958274509195 2.30726878782822 0.80985329861448 0.825057207201963 0.141629794054073 0.468853773346941 0.419222809924625 1.86618080968403 0.512449399599259 4.65637532063844 0.642580759494326 0.791758359883425 0.153873545242521 0.422408691614052 5.82707972271485 1.25148795641258 0.32362167832801 1.1316714592655 0.458937918705623 1.00148491657256 0.447382697748061 1.37986456542577 0.737080330682852 0.810073279547568 0.712389508283241 0.87069467458836 0.118065808008879 0.216894551183791 1.5300002457743 0.399164833061041 0.302733993302004 0.490063215736799 5.96181689297305 1.4674898812134 1.70598607882629 10.4990209128058 0.475758918696568 0.590880143635675 0.793047691855945 0.164391546916373 4.30267125617831 14.3655980400146 0.632588119787806 0.977299483744617 0.39808922124473 0.465821099594214 0.50719223560183 0.862076042568109 1.74571808135647 8.02599720334719 0.884105750213112 1.71129382058735 2.84117712953729 3.83943733208118 2.96368855480832 0.651274106901472 1.32045450135629 0.370470606040615 0.425679507727015 0.403630888396478 0.659070792052953 2.00566672746347 0.607590933256755 2.34732521243308 13.6066506007888 0.409388707576446 0.989782748455179 0.576410194717922 2.04490180023206 0.644738114548933 0.320566496823691 1.64280746688191 4.48055079313953 1.3382403853741 0.274312730979333 2.0529719416299 0.690580454216776 0.310601435580616 0.858642316901381 1.83458559219317 1.229066458664 6.37618040868385 0.346438407020349 1.02958343843419 22.5263524377577 1.97516142844023 0.912185360389203 1.90275815679624 1.84291157170077 1.55272319216834 0.633024278620094 2.49887236164524 1.59904435191258 1.86337388609267 1.20792296139921 0.236814946181896 1.22678675975045 14.4876407090201 0.307352661541626 0.40944443366487 1.08644774644371 0.91583948092468 4.02889216587954 0.753931470364147 0.475116154227253 0.530043398567007 0.762361528819624 7.95153649036888 1.36845665382173 2.34288673556108 0.501631087603015 0.808928462862857 4.63404248273436 0.962612736024174 5.07054612342785 1.50876423388917 0.715626485155879 0.873545449488854 0.355508823944108 0.490751668354748 0.4932952253815 1.03367687406137 0.0927724246410725 6.2823406509397 1.32441793531479 2.63417370033904 0.533794250692372 0.680384934294182 1.0660861995144 4.76214504046868 2.14983557699397 1.74666671840862 0.288928359378941 0.12429828203765 0.568293252719363 3.27548546245021 30.7773322364038 0.177789842277577 7.17626803368919 3.05155881702362 0.909058024724894 2.72103080328096 3.67801021127535 0.510619079588186 0.345755801243618 1.04182048903911 2.32044058276967 0.51799900914151 0.463370962672058 25.333375296061 5.40007652635541 1.15973213188508 0.316301562477767 0.707794098053597 12.5717951225444 4.88488513932169 0.405348540294696 0.586899350250366 3.34366894460635 1.63901848093374 1.00642267746521 0.998515083427439 1.16563063744798 4.35332854720225 0.485079456243767 0.823277853019208 26.7880085425972 0.858070154333324 1.54799734046338 1.64801749395589 4.0251510671132 0.542707190967924 0.350286611639095 0.229248874935808 1.44453854581815 gamma-glutamylglutamine 0.871670685777375 0.967050786766215 1.14877693990336 1.18538339110787 2.01438312977776 0.422775827362318 0.861940131363782 0.533163298690519 1.8032263228893 0.806058955681514 0.828909140771608 2.17144198013165 0.784666753949656 1.47668143271165 4.21453847505087 0.508548659718964 0.595815737653392 0.393553436358392 0.166553844466901 0.515728608014458 0.879030878634733 0.661547063893051 0.937888755927417 0.628537288717083 0.87821814947725 0.400160366639288 0.256017208008566 0.670083501687462 0.950345058943978 0.338812329869513 0.534947786151141 0.675130089991991 0.893433696088125 0.608894839966869 0.287870022369004 1.47092591513246 0.295317844119384 0.701871516787534 1.68614149633368 0.651632777057049 0.685311673777002 0.352190494605721 0.7341139049931 0.537537854096394 1.1243982359612 0.980063907982283 1.74642942527495 0.504285254645816 0.944839341360486 0.554971449411292 0.48676996844841 0.666554017418664 1.30883065180273 1.27632996013981 0.853895366604986 0.244073995220882 0.926891906359073 0.912905960303996 0.776589445434209 0.463063758609611 0.149760862480462 0.663818007011119 2.27070398343076 1.12878697341161 0.355800977949976 0.601789549182206 0.267493422212091 1.29706301387932 0.815375290623818 0.989817032600888 0.228353544764557 0.608096148727447 0.769830692331094 1.52811221364016 0.46861210880257 2.03058464556159 0.405937070809392 0.753109542976697 0.362521018683575 1.04481033158485 0.99771484601211 0.777080686090418 0.540215666235844 0.328787555682541 0.642767615612632 0.621700101989655 0.355432619521054 1.51082591557636 0.572518789335356 1.13429715891563 0.711434163864992 1.5037215472011 1.72086285980236 1.15375371334641 1.40225109402079 0.805595127879668 2.07673399851734 1.70809841439554 1.5176381395994 3.53094184860183 1.87292320244171 0.573265191491903 2.40757737415064 0.898835325535861 2.23939152802709 0.491294645984173 1.08617119791637 1.19988130320537 0.857727285855884 1.35919567514517 2.1887663564085 0.990428532382652 0.471888708769237 1.65159864790924 0.988523756971181 0.957847821704259 1.10244224030875 2.20894685809198 1.28184080862559 0.699534996126169 0.533997646818319 3.46197122232563 0.675085526087842 4.62822346774395 1.13549329330538 0.834576222349553 1.32919920970269 0.851643851734911 2.11297261014822 1.25646607548295 0.610157099580494 0.799998581795547 1.27095314927 1.01494409881956 2.21505142115328 1.43420594992113 0.779218254574271 1.29194560182803 2.62655978708946 0.637613970167089 2.46161468226715 1.11593417847942 0.787353069550764 0.995707106651339 1.02723768305287 1.62447240344204 0.405151408602748 2.04664350496663 2.16752629457709 2.17152084613537 0.72396348135064 1.73043259790208 0.938686582408027 1.2343646273982 1.21710182194881 1.99125968090285 2.06301287043601 1.41546143789674 1.46222736388595 1.566804664878 1.66393460532437 0.650020117172513 1.26871068554216 2.36060491493166 0.204153586468992 1.42615409414007 0.771357798743759 2.45386232128822 0.493405810498945 0.67594149318596 1.06687733344356 1.79372467013343 1.34580471197853 2.15594434919606 1.22177809170444 0.861632219575868 7.38490040025073 0.458243592987544 1.21880848111629 0.640697440665583 2.16592291643715 1.59659906501124 1.03948249488913 1.64171174510231 1.17375111676394 1.66032207538425 0.70843555503132 0.853114172318874 0.819168093951087 1.74851972027704 2.2865785627328 1.36003428941644 2.10422032855416 2.27392526765871 1.88592727251554 1.03325418484173 2.18889252471928 1.55042823721164 0.930435140292993 0.357085461865088 1.26457169043687 1.78836065769405 0.517087951217456 2.0580225491049 0.596688106343657 1.09855134450682 2.95200634709908 4.62961619063712 1.56332723908973 3.3462338053014 1.39142151763212 2.42579138546872 1.8755800297673 2.52477424462309 1.05660007850857 1.33725057545375 2.03697734625929 8.47222092027979 0.585997006666195 2.19827936633011 1.45592465575537 0.555697068531041 1.13836380253359 1.90088327618142 1.3928441611802 2.74155991074997 0.926476678002502 1.21444470637028 0.580914905599757 4.72285494702862 1.03987307761954 0.660561008244207 1.06640820178766 1.46053263839009 1.52567941649765 2.0731742476901 1.6913557325467 1.43639082071203 1.56898970862067 0.780146284906782 1.36301208638802 1.37213503243451 1.00228515398789 1.22572438972097 0.304279483822006 1.04346283557758 2.24705078330718 0.864422508011558 0.401058764569817 0.826594325556442 2.43983166720253 1.49404158117805 0.589705697786281 0.917554874855852 1.40087981714617 0.654856338483203 1.41088689260278 0.383854070912644 1.16412508286551 1.67848385527005 0.854411368188533 0.683188402638852 0.419355677432741 0.491088256880872 1.40687043382125 0.517893733479143 1.32323738949608 0.617888735173206 0.817767905306835 0.684404282354821 0.258159186762364 0.63124032298857 0.880589692870531 10.4508489539041 0.21194641816035 0.416203660385693 0.789395716342276 0.447065461146761 0.913961167832563 0.478537637503137 0.365774644891117 0.375394394875509 1.26481460118736 0.902544160782415 0.546976235332465 1.63882806271485 1.84314546332826 0.660712600464076 1.27640467530123 0.850840865526719 tigloylglycine 1.59369786107923 1.01085286028622 0.901984889106208 0.541466999201446 0.300444156943303 1.38172356164972 0.276914158515478 0.955483880351198 0.99068122302801 1.05374486012831 0.622782418504854 1.67746504333179 0.267163898967974 0.483863729076039 3.00951824243226 0.680292189195759 0.654002918567533 1.45099971673134 0.652509005380719 2.1412076941031 0.546754219075408 2.00803125512948 0.512433000729296 0.928396055293488 0.581547782712855 0.363978061569724 1.19881165681691 1.20504148950833 4.31352368894747 4.0690663007953 1.15252043308938 0.811045953933175 1.05294492052202 1.30423884880726 1.01979833210861 2.50632437100853 0.523631462628969 1.53220224412495 0.756580109276598 0.696733545311557 0.940267020533168 0.669491273039819 0.603529846058375 0.470886007567221 1.47642325185493 0.465447110832845 0.526487004617487 0.104075952014705 1.21549818922762 3.18354908616423 1.10194762785009 0.695719595888518 1.32808397495877 3.01934745705779 0.241002757194435 0.215746828464552 0.591805016971879 0.618046499000249 0.662225328096442 1.51512647703134 1.0546943988298 0.759781252878571 0.320045793945254 1.25536357774547 0.538709804766255 0.860341626156017 1.29803394929837 0.858755598711509 0.824838159404762 0.63702549902726 1.69359681243113 1.72678010802994 1.11769916591579 0.603094900540842 0.177290164759855 0.756276062967367 1.84612763434657 0.70901867841666 2.6628881351988 0.959588851820018 0.786823367101635 1.28049207020907 0.718619338868962 4.84706055092637 3.86981415775363 0.457602854572365 0.351682539638566 0.255875400575818 0.415456079852673 1.93195041898136 2.77510754166439 2.98640379704666 1.29889899221461 3.77174987308318 0.560317177785366 1.63929372604943 1.14402445114101 1.87263299255675 1.30103562744008 1.32911870203392 0.269831749499085 0.541901944718979 0.756766415557198 2.15086722456971 0.506377700315613 0.372766315824468 2.69010685946481 0.887316559303921 1.04865017983058 0.361665508889718 0.297889198321997 0.364116579250467 1.08108894289539 1.00931877697199 1.33948882820275 9.90480303132093 3.96678761568824 1.35188546804085 0.974784241397533 1.6671939573047 1.8342587468721 0.666076119621099 2.02000887898334 2.08248658629409 0.493592518383028 4.41870362687769 2.69790679006745 5.47601046916631 10.0816949577486 1.4204018536436 2.96381433367109 1.04342737067816 0.284317928551195 0.817819468521511 0.15979607427041 0.65964128076218 1.77216611871381 1.64169839298713 3.90048959074259 1.85787531885039 0.452630069833689 0.875492690075693 N-acetylglucosaminylasparagine 1.48873746358773 0.573246150587549 0.871330283172114 0.710120054796595 0.839210974137522 0.854322721660843 0.860401567871993 0.376033174328714 0.393263014795242 1.18132566846772 0.751512261986352 1.54307339312852 1.08795723224044 0.477503517403395 0.934322206231381 0.462027747822915 1.29458807119047 0.943514568533192 1.93333725274486 1.15693135848683 1.12499406048082 0.739261147974161 0.566912811079801 0.562644410852045 1.08642705102671 1.05532571517851 0.770874691849691 0.776779580617597 2.01721212257879 1.94203351419002 0.777718628667703 0.600386733167805 0.994437388608848 1.33065685847354 0.882653624153669 0.932104248830015 1.57022202929411 2.66075801955894 0.602074764654103 0.826913149330385 0.776210997492919 0.49554515927173 1.02176642508595 0.970750183420406 0.891765450602126 0.612935829837406 0.655283192247941 0.997802176561973 0.651787936212383 1.12778704387513 0.813317086567183 0.437432098208641 0.612947104856876 0.417778128556161 0.600776526698038 0.855445391456596 0.929615690961381 0.900394061930461 0.768025333358031 1.30268031373547 0.675892317121198 2.12568425274406 0.753119757619296 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7.30329254070778 0.517322077702304 1.19760152657137 4.3503893273206 0.672509057502864 0.635227544439839 6.04226902756466 1.37989791125161 0.674283760471302 0.364588189002648 0.141422137971148 0.218762346462847 0.602254910159067 3.53961226528219 0.107799216672156 1.27473846621024 1.49135014898233 1.80653620775958 0.411118187282538 2.56078843556207 0.0741447280421824 0.153790094456263 2.24975626616162 0.995687716897739 1.78549924321966 0.387167372402837 4.50141957049489 1.26413902302082 3.43036231311289 0.892149223353908 1.22816996816589 0.784092763882616 0.776978477827014 1.16259570858847 0.628544183400499 1.1443537526717 0.67077978673235 0.322305791744871 0.539592025052329 2.35571715002956 1.97055114641095 gamma-glutamylhistidine 0.697795560057994 0.889037188948591 5.89903310322067 0.466932077199962 1.43409844398185 0.567975746836649 2.78968649318354 2.61188143799974 0.580451777379892 0.992111809518599 1.47257002875894 1.12097196202303 0.7169512704143 0.467431541996077 4.66411301317581 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0.96869299946259 0.908865323641716 1.20847801781307 2.86011632411559 0.350703265846756 1.47520810297799 1.3473274662398 5.433291446533 2.76481032250777 2.09290133452405 1.2808818818704 0.758264774583419 0.626693746012444 1.25441686602607 1.00598828287356 0.857078060346996 1.39580158363873 0.975286640728619 0.705865534546462 0.449260200862503 0.682441871033954 2.5042022108818 1.0787574798383 5.13600444047147 0.95703190838792 2.73459667335267 1.72901740449501 0.506533634894764 0.697439492840269 1.00292751671575 20.0141998900471 1.31935081930758 0.446869211701595 1.18231126893179 1.17358034191277 5.30211487160843 0.440621048293657 0.500116924179303 0.590826702482234 1.01825120255415 3.33499395082831 3.46917305043271 1.96777746107749 1.41759448576746 0.395482579179731 0.692435579189437 0.844553936462077 N1-methyladenosine 1.05528770828296 0.540801609701111 1.67962729202912 0.613692811529676 1.05815663519319 1.02867474749368 0.978773992572364 1.27700137540379 0.577739613521856 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8.02108530918049 0.931770659716961 0.288039922778409 0.156288158464695 14.5738952873795 0.190214320220042 0.139910656829173 4.5101206275413 0.47481474483184 1.04675097106329 0.380528465211958 2.96233397446982 0.703611339381051 0.0558368078890091 0.571831944996551 19.6228513163501 0.242744432540737 11.0872771545662 0.303965539062681 21.8592506368286 4.34020638771585 0.395733917070571 11.0840649360141 5.18002595444069 0.619185429861511 8.66839102076177 0.741493949014498 0.0384191677822679 13.9150410975021 11.9437023938337 6.48013843556757 1.03845214560869 0.687506573282969 0.111465944600817 carnitine 0.944104018847181 0.732519949101914 1.25701976747693 0.937720225259741 1.58767845548723 1.02627093258881 0.191665696281406 0.523475875908347 0.835552204149444 0.853991899961471 0.416375099668042 1.32940745086779 1.94972884318392 1.03501631423693 0.571467125435577 0.699057608262165 0.664443766344547 0.924414912889127 0.797351044835868 0.781284410622488 0.702860614665016 0.423315729487002 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1.22551332780873 2.59286301064019 0.738553977600163 0.866265684232982 1.00983094537456 1.0876234640633 0.752992571070518 1.07113001843491 2.5378697213363 0.730013519320031 1.80683189618652 2.3500061372903 0.767132772702946 0.687210707889032 1.85855545227797 0.961367521728576 0.683843142860997 0.553746509701167 1.31395213700832 1.50410713611089 0.968035350408073 1.84010853859093 1.1963109628902 0.972104251464441 2.13076263836565 0.70531497020234 0.85377566243012 1.29375010710856 1.2505747859185 0.516512623160439 1.52399445286885 0.670591012174781 1.82903856623298 4.73440395006276 3.0423477830797 1.39334471952295 0.656136577438898 1.80285324233982 0.906060479359575 1.69239757025709 0.856263701194561 2.80542754399564 1.82903338181881 1.20876642193192 0.534447143913433 1.60239201189305 0.507158979916588 0.687201107122046 0.549415699721419 1.11714543851479 0.863535898155832 0.830649238906398 1.10903701474903 1.76513499710465 0.832631701281352 2.53733390253081 6.92104986883192 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0.935645128570315 0.237200328069017 0.593277498556131 0.432704636273358 0.494681664039225 1.46133016010499 0.414774663892241 1.10044286451679 0.987546392166176 1.67365377256086 0.82104448358443 0.30890140938574 0.556168656322391 1.21485182626002 1.78399412446492 1.93168556144088 1.4593548015795 1.3000096118634 0.762501286258367 0.910455379043535 1.31739276115642 1.49798822624344 1.27397313955817 0.671514694748114 0.770006649499043 1.45132325747364 1.92616625514757 0.93794522240837 0.778653391071379 0.282653614591979 0.650078562953586 0.317104195106738 0.444117607656154 0.604108810114594 1.86724085670001 0.581204654243363 0.391265311668551 0.771456104172062 1.00626755105362 1.33116387486811 1.11429305102873 0.207066226455263 0.168867071749993 0.37918077550902 1.08051317559609 0.779552784473247 1.19002405592696 1.44702563454119 1.45025998717383 0.947507261732951 0.675130178660063 0.905213801871674 0.853275619168181 1.96907988915193 0.3917737732725 2.94523129665709 1.71610408848073 0.677124660614655 1.22130703431985 1.19893749387318 1.47221313930981 1.35263987738844 0.984511431371236 0.734137830777951 0.822934245182755 1.38996096867046 1.04085071558234 0.754066335230512 0.548413723734986 1.04378278048403 0.555660557700613 0.407053345364282 2.11594537930264 0.586336696769112 0.64532779498958 0.659790303767122 0.52970403699457 0.777252394518157 1.20771419261482 1.09111099409712 0.298817124686883 0.978740435151146 0.27038009845175 1.5912496556744 2.04894622574363 1.17900697391436 0.595876498659653 1.33680866791872 1.94443473705942 0.634649833846105 0.369935199324376 0.748453131180921 2.66953494222793 1.04956983388909 1.82781092497529 2.40793803798823 1.50843605669065 1.40929258715184 0.242510719018726 0.817282211593054 1.04005812490814 0.659707066224067 1.07708085439794 0.992253258391843 2.49420667321229 2.10507387224484 0.635028214102645 1.60263719920091 0.895589129018311 0.560799000175163 3.23986350437555 1.6953303609392 0.537476115713462 1.48365252242161 0.649431327534454 N-alpha-acetylornithine 0.853560421507852 0.71809380726055 0.56980785026783 1.65791871722327 4.45131949368511 0.823184335970683 0.38970521128046 1.45535906094453 2.20927120702607 0.875582170863726 0.278004226311245 1.05024817292774 0.42508547398572 0.540518530479286 1.48849558764682 1.58179175939512 0.28166609332987 2.09277104204548 0.549858537920964 0.407478183949846 0.57668227546844 0.600282222113015 0.714016329568032 0.499729712652958 1.9236652368349 1.22369542477236 1.85568200167087 0.833158992144116 1.43307895900759 0.618277041020493 1.21437226641206 0.479993822003496 5.2037461124255 2.05070450221495 0.315417611502306 0.626726855329575 0.790002878384735 1.21393699847656 1.51244374863979 1.02449435204751 1.27487170126579 0.659192226957126 0.628510049774995 0.645274885742167 1.70369205495609 0.720938493832534 0.200054759514466 2.56165570306302 0.524149647924404 1.94736627796772 1.12269079829544 1.31326233317654 1.07080966856453 0.167769111421571 0.629613664604994 0.377149837476569 1.30140338806945 0.0954949768676154 2.2361202181956 0.428093035010987 0.779017277328859 1.35174844321509 2.89447279926426 1.56051979416039 2.06293131893205 0.719868577165283 0.797329420602214 0.956025301703863 2.92832822010517 0.661581988332011 0.874416776068688 1.52319907891689 0.767427917523747 0.329747755210929 0.660806930588805 2.10337473059021 1.29376232966632 0.848272618136632 1.76293061688699 0.627395202224079 1.10862743170857 0.169209707879052 0.470179232103116 1.08194129499231 2.50843787954311 7.29516922796105 2.00614991470153 0.89293672467899 0.337706137979936 0.227243560491712 1.0311244655682 1.00777725514424 0.279983993372695 1.21941294992313 0.382940305108782 0.311373831972536 3.73974347273608 2.11514943029044 0.304255095092003 0.589498810033628 0.596005363624237 3.81869826805484 0.460151220505332 0.551520980616536 0.358118800064588 0.460631419324492 2.35491747460352 8.08662393552418 0.593489234139047 0.169970724721113 0.621374463813088 0.776605050512142 0.647347322751174 1.72277363961219 1.88219403121292 0.460359025842279 0.489774713741128 1.67691044011205 0.619829964687134 0.939600255544401 0.477028383681665 0.851707022556708 5.55722018239131 0.445411082483274 0.724867137972915 0.305813635119102 0.787512022521606 1.08023392141308 2.01154162074122 1.6417829136274 4.03952232854305 0.450948813894876 1.6119656559558 1.04445770529553 1.02020626083782 1.37717932336897 0.646541375025449 1.20319570910061 0.344061049838179 1.1834935166139 1.54868612267535 3.11574336040887 0.857000442288386 2.75244346782177 0.412100448606792 1.16985980160207 0.702014167269255 1.3605015409889 0.559625388757451 2.48858685350426 1.62281927254091 0.587294388553857 0.432111540918696 0.769876650683441 4.14714302763951 1.12212073770895 2.18349211252378 0.992222744855765 1.25096285479602 3.02539016154057 0.834144663404497 0.745133774685659 2.26105685862919 2.01370672769778 9.52581911107055 0.24752985446606 0.511125308022269 1.97970528148497 2.85390301949579 0.401022177603359 0.283289221502236 1.72122352412578 2.71300538468559 1.59802023293855 1.19465322484397 1.62370384931305 0.448247344514571 1.28901088871884 1.03497448066217 0.477219339937237 1.15974754459741 3.47759984835827 3.61915459734206 2.15709802655134 0.969588812209968 0.684404069053152 0.915660519092115 0.54814554798127 0.359702613713748 0.569799425727143 2.33533884204688 0.737136077393447 0.389702403100231 1.2118112060432 3.41179295287172 1.7469380304828 0.975511264312944 0.785324450123209 0.391421009400383 1.02228431420729 5.00995078664149 0.539934428991653 1.13476878146039 3.34440505191623 1.72047374000463 0.825840874467323 1.16766661284321 2.21927113682156 0.551936591290429 0.808581798779846 0.794743086611299 0.402434692258549 1.07998399337269 0.595859338252329 0.882779536790671 2.86141490160839 1.51541761150231 5.36657844300447 1.86965550649041 0.786913880132827 1.96853434053398 1.52647341706391 0.958007876945542 0.569069298867601 1.74431238196868 1.04357312852339 2.20772670790011 2.42047163386946 6.48700023167487 1.72754473782127 2.42794700963908 0.62473304736698 1.13579657542421 0.359646450109168 0.519139854395855 1.71970710680212 theobromine 1.75858437536416 0.390788841392936 3.36176735456418 3.27157052201946 0.0561976042109754 0.165659327876217 1.88388255190114 0.0941939320019551 3.04402059533599 1.37385974368656 4.56465896180829 1.94491480582135 0.235694217567884 0.144410916812813 0.093712155308335 5.87882369073066 0.256595708234387 9.72393742503122 0.0617915669313419 0.81779884875959 0.243534000875434 2.62998829323812 17.062508261235 6.88558977085136 1.22033357065296 1.32398267909843 0.149046473332837 0.982231293166883 4.07736921924587 1.25878840985279 0.936326621538877 0.146157460270923 0.216444973895527 1.73441380335523 1.83553626069637 0.148534431180258 0.327619887247783 0.0888863587605739 2.63477455939051 0.945664648008595 0.156215269356408 0.709385915896613 0.0728598717485735 1.61039295271877 0.486342042510823 0.358097616193627 2.69158282585502 4.54819990520941 1.07074026018412 1.03400581673297 0.965459699379579 1.26627777267634 0.160114572262592 0.199147131719807 4.54325387037572 0.114056514465036 1.49803480404248 0.129255951486322 2.48560125937251 98.0045867611882 0.0640264754823017 0.0931434940998826 0.0968642925644562 0.260842343312425 3.28581834712711 0.0450195613690858 28.3811248950489 0.920791382044388 0.69061927246778 10.1215994080323 0.361488788809274 5.21686436668395 0.622879822244989 0.281433767440213 0.102264721057471 0.859701273743458 0.0519781462797574 1.68993325539806 18.6734000793079 2.52165771536551 5.42240059855607 0.271837146300758 0.17828105369916 12.2246675020208 1.69888627228783 0.724821505852763 1.5824661695994 0.240042149284068 5.67684498855472 0.413972800617333 7.08833602153748 19.4867789357347 0.435910317062595 3.57294613860098 3.18827236112993 2.81724130547484 0.685927714554309 9.55077143978347 2.1386703622096 3.17286847784507 6.36688962907724 0.379517943299413 34.4707345365123 4.67818346303558 5.45254396624104 2.14500037265633 10.5125793130029 0.282972570435135 6.27949142499252 0.114510290461933 2.01107921685345 0.145792627663618 1.67996109550255 3.48371471243079 0.564320482797896 0.0629801553297473 7.21139064224951 0.503211844624134 2.95616346806747 0.985774204852274 0.865656157209088 0.60213048242318 0.219316280634512 2.20298528604565 1.66087615003597 0.944347585825224 3.3664080582711 2.62693395253305 0.163275356792701 0.154693349134511 4.10425421173715 13.8984597969702 3.20771081539264 1.46902052327537 145.878115231926 0.714099091995054 1.92650146530117 160.905652270054 6.95826557919647 0.572804076242603 17.3374415433984 0.0973372160966123 6.7775954072269 2.68913955917844 0.212455492274896 0.169132443707276 3.19291327072433 0.629927350545252 2.79920494492304 0.506787080643242 0.468484804063066 1.01422579514773 0.0859343441310334 1.0740466071597 2.4283888357928 0.61242341500615 1.69092542714445 0.458474349097039 7.17898292410452 0.645697713537225 14.5920856442487 4.23192194723433 0.48188643164474 7.06345802016133 0.456380679354551 0.4959436049497 0.44325699986535 0.518248012877026 30.5833619860071 2.2934244481495 0.272643401656406 1.94873072429979 4.23412803153867 6.71107810506109 4.17469902339335 0.847341436789868 11.4956232440372 0.585377830283659 4.48576720467809 11.5085241532775 16.4393272256127 0.53227883258507 0.162649458865947 1.39707623313215 1.93511703261793 1.91981094588412 0.306206560316177 0.400322460964764 0.157472830059242 24.3143675280861 2.14193964943951 7.29558194300952 0.831390716369002 1.15883621692469 0.0585045733785023 0.895485546493304 0.155555399996129 0.16543038100301 0.288690477415997 0.0397994903049646 0.32775227289479 14.6448799284829 0.113468705721325 0.819935754872018 1.70297663877166 2.36352645715832 0.107624795605208 0.29081708915463 0.340886040870311 0.301148110920642 0.6658713919764 0.613056313107085 0.27978996183258 2.03800476917749 0.130857344273919 0.727428453072685 indolelactate 1.59088578718072 1.45618018890683 1.31832598860944 0.782906075072824 0.556312519434739 1.7166674645852 2.29843876006249 0.648880954118445 0.391362214265761 1.27809964623546 1.99573948688106 1.40500615636755 0.827207658530532 0.436431193935571 1.1538108356717 1.02972626126518 1.07944080010003 2.32100643711093 1.49817354123837 0.905876135465186 1.84245955366452 1.15610019563723 0.526188104568541 1.00235898804098 0.797341955191684 0.413987341448552 0.621704251728268 1.55000490371292 2.24696092972538 0.62760795024335 2.34966884831538 0.430424029401826 1.12589081406747 0.555358456766682 0.549252381322013 0.596743097965959 1.84859528379018 1.39060188311872 1.41936023046986 2.23654990562096 1.02228702663483 1.18490734771415 0.727525818861957 0.937241119980144 1.00517320797181 0.894999188911938 0.809577160503869 1.65502300561812 1.72600701579553 1.18948420841756 0.511398227505321 1.2583787256017 0.879195475011748 0.3603298455772 0.933158627908587 3.19864490192807 1.2704926163098 0.838984657188634 0.615628109848747 1.43180032266896 3.91528587251927 6.51151387146509 2.83836525549739 0.646774913999101 0.534603433714583 0.867843588755577 0.510050659305365 1.23509106264621 0.543310289755981 1.24959006354375 2.91712111613154 0.974444730042469 0.520029970749701 1.82821563880041 1.90250926011571 2.25429995198545 0.951513202143132 0.727552963585632 0.540514569140261 1.1213471405776 0.177501672142867 0.389830396605794 0.543669492537758 3.56450343980355 0.504540094476653 0.715960307348923 0.459499003221577 3.82267458263825 0.577988510902743 1.03777020968834 0.400572270270346 1.21758541175618 0.724592887245745 1.02505959986632 0.403520726437427 0.706317980915958 0.866484028537285 2.44793497909066 0.382459488591547 1.08056832870773 0.469732657008289 1.00688537071373 4.64652345345958 1.79430630124787 0.928792045852272 5.1754386731436 1.65957644005316 2.11692459576905 1.42631429964521 2.16360227216211 1.70626787473082 0.673293728685698 0.358922038401418 0.193238825693225 0.556070076149316 0.369125572700217 0.838172732474339 0.667181052982875 0.712410948805702 0.72847021354624 0.482456746230765 1.13939717332324 1.81147710523833 0.723532569717551 0.528640890644413 0.997641011959017 0.719685455866351 1.38407181080871 0.690020456152208 0.398341475975758 1.99058394157191 1.08946240897338 0.763694025046585 1.07842733510859 0.755155057261888 0.391501842262197 2.61416220180894 0.798439829118387 7.48288910962053 0.549630083418897 1.03238170315478 1.10709467326631 0.899061136517973 1.4621655075157 0.638647858100027 0.513244719444872 3.45036210782498 1.40799077451241 0.470679375727132 1.92735616433899 3.63089525064945 0.867869710904045 1.47987641713818 0.469678181638175 0.78031840203102 1.92987476707364 1.4315003362878 0.742062469119391 0.574455327640068 0.838482758684801 1.14896457288196 1.34684300821174 0.617913286552067 0.610336654998464 10.4330487940352 1.90123457363959 4.65863660047661 0.959357190632653 3.12491220959445 1.07013322760525 1.19540575551807 0.74667725806684 0.679871025377993 0.615882359229741 0.702561690335409 2.75345023846919 0.291663548586964 6.72092649032202 3.10662187167518 0.679534598134916 0.253464508041392 0.66994200604156 1.03698542969772 2.44142256944332 0.522035705537384 0.809600121965334 1.47160964028128 0.3653537575688 1.21014943077422 0.865914918953943 0.95511452609914 1.05462457313295 0.876214017553898 0.433627013834048 1.55770415132998 0.788090066564998 0.359869128965791 0.909464723711799 1.68874456117812 1.12824803584219 2.0611809535142 1.21760846617902 3.69047206254814 6.19197910599968 2.72701508902679 1.27585407108106 1.18962002499732 5.17651098269013 1.90116066934055 0.651598494211527 1.25195992806648 2.02208306936174 0.493946773101252 0.589329334754403 0.878983894905298 0.968403541642748 0.0757196489220431 0.902560481837438 0.780776887569251 0.894018632249884 0.694838272758922 0.756830500257736 0.510352411952789 1.40257261329785 0.729913439008734 1.13774868912831 0.551860598829337 0.839081894794674 1.04439584629951 0.932725520827765 0.78881377092735 0.743622268155474 0.592278255728397 0.755982785411199 1.73036504540466 0.347327244052912 0.776902443071611 0.443506763637783 1.21201590941099 1.24391068084452 1.05770698665214 0.599482576945298 1.26067719578271 2.17723478001386 1.98074816250207 1.74547972953815 0.466977095709786 0.454331279971331 1.08081114383868 2.02877647482071 1.67032863243116 4.86080613322017 0.843332089200165 1.14604158813367 0.473468682007464 1.09684205535757 1.3728398447359 1.58120237181671 2.38449301883258 0.674868494504356 0.592407007243086 1.20116052989847 0.605720285707513 1.83889634387531 6.13605790750435 1.98017040751016 1.48654444413974 1.54031656139565 1.6461701072449 0.620198556216769 0.541403372917839 1.29206718690955 0.539823773107295 0.708144114312753 0.724595118318924 0.71646769057432 1.3224603531324 0.547490670163254 2.02304391821072 1.54324047575776 1.65940157969277 1.96453383817561 0.54561061916464 1.75608374147254 1.46264602490157 0.828299954774287 0.979435175936388 1.82647224103399 0.414663170698944 3.68707599732457 glycylvaline 0.770574976474103 0.584438784847551 1.14824798480174 0.812164748582838 1.05599576829028 0.638792168030992 0.507580829315925 0.775179794530657 0.604725960193119 1.07254241450683 0.322162517017164 0.626956604903069 1.18195289153056 0.534154171669979 0.391326884226609 1.73661385294573 0.93504254733812 0.474088452651254 0.668444834870044 1.55883481573053 0.754224330205599 0.980457860601531 1.02676580013437 4.5004138432638 1.31863806012003 0.88724217446593 1.21728011108238 1.39313457049445 1.28137209409414 1.16150749935946 1.9335536561665 1.04589114446259 0.559194936117005 0.933734306721027 0.553921829080961 3.56219279074408 0.444577472521634 0.55142814299495 1.78754786354153 0.534841352210726 0.877713743256598 1.02614474005802 0.630257905232844 2.79452239181334 0.799148462876311 0.673139387842572 1.06433403114038 1.83710042872037 0.515083140580372 0.574464040503507 1.46427074441016 1.29176245278586 1.07588622084944 0.997252458559589 0.98764609966007 2.1222921603563 1.18849409461602 2.72560125345509 0.84659461897492 1.31202837512501 1.38201924813948 0.742209297245729 1.75116271655928 2.64250435981812 0.857589507626878 0.859773844397294 0.911387951198374 0.510235093672626 2.34901214845461 5.95520810825809 0.599660660330909 0.473337513091262 0.31892733715179 0.94849570039873 0.836622236076034 1.81201951970567 4.59164827691251 1.09274221638158 0.821272842554186 2.21022293223007 1.92287520116561 1.13814572241921 2.97553424744875 0.521204006427854 0.978566343030608 0.4930579415991 0.516041887314199 0.899509882057622 0.517373742382864 1.51831713972317 0.737977587524013 1.14439646775033 0.445366195204141 1.37348970823164 0.643682720951568 3.29921989659232 0.705344776896565 1.25175484893245 1.06789981332776 0.438225185048746 1.00474532404341 0.614665282859805 5.67314293001031 1.23225167337907 2.93447343905523 1.09836009441058 1.3204941560136 3.21507452130555 1.8629629760821 0.45531968654177 1.45689122829389 4.35186713564968 0.89488617243981 0.540853591580976 0.785487502641867 1.12386134066326 2.12013143803745 0.653175730483541 0.493749845030162 0.761962785985768 0.626104123201317 5.3915925468068 1.62298819631638 0.829981852293967 0.73107980621981 0.733342070680415 2.78805675497291 1.38588257241667 1.09920076888654 1.70290186188143 0.968249189138769 0.52950212471028 1.69645983949257 0.577205678331025 2.81712378341297 2.41799940727727 1.43367586095339 0.472787296369632 2.58816986819594 0.495150182008386 1.18796985379112 0.562401778640493 1.56201095946698 0.882767235893022 7.21196922092382 0.489338665476498 1.20402531941498 1.08176149640057 2.23592962421142 0.368581444472388 1.78152381694549 0.380235176323206 1.45980761306304 1.98966631599206 0.873888202101922 1.00274754144041 1.79902920989587 3.08679609747573 0.692203334596707 0.705665933437945 2.59720711881257 0.333372297178427 0.66690044973723 0.758675654326935 1.97181142915842 2.32507890178632 0.612929620669257 0.479099439274847 0.859499916759058 0.30943196617466 0.608683742276598 2.27748161319765 1.11543570434234 0.923343948029315 1.16142012588864 0.496951964663335 0.254471691585817 0.330434659402861 0.602522731861445 1.1835728429084 1.30952760470353 0.558753345872607 3.22617803643474 5.36802296269271 0.379274068144223 0.337922801996366 3.1106703080151 1.94222015989345 3.49771825361685 1.43193311442737 0.443663593245795 0.887449981639764 0.569519174344315 1.02933741391057 0.588302109124742 1.26609354392701 0.864510903382652 0.656760404232182 1.77432377066117 0.589711891883595 2.61964084780604 0.885690704997644 0.584951218446665 0.782724611807934 3.71219178712989 1.78405292470886 1.49600148298756 1.35328282202142 1.83263493592809 1.05066126368015 0.740192623081473 5.80675585845026 gamma-glutamylphenylalanine 0.816161391518938 0.719439575500717 5.16982659065142 0.655168288613417 1.85651541964908 1.3603260195533 1.32673715890019 1.08263408508888 0.551309766357455 0.772340722299458 1.19188475025744 1.00671756132849 0.581166902238051 0.444988899510974 2.53170587059349 0.550081843928424 1.60560800429755 2.76442879121489 0.853036306100157 0.538987503298175 2.10495416634607 0.973656408683502 0.351132762832492 0.509193432389256 1.64884527861191 1.00258619084409 0.345159684372992 0.456855829961378 2.76664959169383 0.915305499722268 1.85857355114815 0.422425693126199 0.720255555426732 0.521717889828481 1.72635634484559 0.902773664208362 1.13824491764839 1.23556980343755 1.07940442073155 1.21916869475886 1.59387264951229 0.425857376195029 0.544951622666991 0.764110831329835 1.19001282730984 0.734041487967941 0.783829965593578 4.30900202405182 2.05539370636176 0.927637600214456 0.451809051211216 0.628103929667976 0.98869187087245 0.349667688003005 0.473808537556684 1.70551732424636 0.645151498223465 0.93071425735638 0.66856388587032 3.18041272247091 0.789588025876665 6.30700853854043 1.20068363131972 2.5850540935842 1.22233792917119 0.437260366282761 4.78971907453647 0.751877456503615 0.632716104685745 0.689758986407127 0.937737481778791 0.789857325602516 0.69899124152268 0.7207869524722 0.552577214186562 2.84107398768424 0.716590936000121 0.800948855537649 1.19287200691712 0.901043505695698 0.65460825761145 0.669400067667485 0.652355134138668 0.565832452356083 0.856987792097098 1.86368286786466 0.672642555821283 1.80430956855479 0.475063688594656 0.593004320389731 0.563763605081877 1.72323190588669 1.63734110349998 0.702019765510733 0.935725199743805 0.700940634254433 6.5314595834339 0.753415609406132 0.418878947226037 1.08095434341986 1.70440200529043 0.780085241356146 14.2301096768368 1.61338010330007 1.27020986406424 0.551522676512532 1.72240731820688 0.647614018482428 1.57060167496349 2.22887578168066 1.70959880489244 2.37427532374816 1.20488562051892 1.44260947042639 1.3955030986157 1.01550572661563 0.997628651663879 0.906248210377719 0.321998151265287 0.703539648894993 0.487091004335146 0.697151641568916 1.12075220525382 0.534952750458407 0.665750555727125 0.655381374436939 0.375344090566218 0.65406684746463 0.82461859745611 0.806247015832294 0.548523137817868 0.41976607287219 0.848956582138525 1.12503183990562 0.815001979783373 0.719628770415747 1.0768419451275 0.8837605414242 3.15860875510449 2.30466125678124 1.12551967117678 0.650034553983089 0.387449403096192 1.55033744151558 2.45378479420969 0.796122013680356 0.355888985974983 0.68923567011012 3.15829325457766 2.58222460194409 1.64546805276096 0.57077734340827 0.864357083355731 0.650305961730278 0.546887313260052 2.26130698728266 7.02209399596876 0.525714522615731 0.631644527172571 0.64027388818563 0.639502528044589 1.69137408208846 0.500265435020067 1.83462186137581 0.967153865531427 1.69264855665536 1.52691416242515 0.697191518305882 1.17595127097877 0.556691017826482 0.329616716047067 0.474080472309207 1.00790103964099 0.794885659165975 1.07726495474254 0.724226891957934 1.41548661388884 0.431435200653768 1.09350392144669 3.41968948143027 0.788369589543652 2.18513187957155 1.02344014326113 2.35750144662964 1.64296952047082 0.536038557115608 1.07428719893503 1.3403057895752 0.653858680357563 0.672502021065457 1.11228779691041 0.569674496911924 1.04594467638535 0.951514103892426 3.02994865914033 0.772946251428624 1.05010468082625 1.05722364455106 7.10666640667737 0.836496243681645 0.896656713292585 0.754903521133441 1.40963861136202 8.06698308066941 1.21426596413342 0.717101252832214 4.33423609347107 5.16514572927174 2.65425200200543 0.659706331547488 0.771314467245038 1.3422604523603 1.17083931923559 0.557820038921101 0.70052289469274 1.15911643690991 1.30714011420557 2.62049836435111 0.72593913228923 1.0153349768873 1.73574002616055 0.645039246087249 0.568837085435646 1.60475917437236 1.59294002573894 1.09542626123795 0.278661975616517 1.8711644112595 2.77416626877764 1.99209685233767 1.11729048288093 2.09123832551433 0.630252003410778 0.827305094982171 0.884947006100262 0.473923951724906 0.640127380702681 0.640938968917577 1.54443761679756 1.35290613578257 2.23045556800459 0.355138003373537 0.551861365274073 1.61797119810447 2.7117247444112 1.12950154781467 1.2362533293562 0.43133243461357 0.805313338048275 2.51146728473852 1.53066661607416 1.97463136855205 0.424811270606348 1.01215239167318 0.595757747593255 1.26225348886315 1.95306701294431 1.12495314044235 1.82188414244462 1.00237134833612 1.20859099502472 1.4146968085611 0.481199436034025 0.69043126954531 2.64944430800862 2.38217882274738 2.74846843466416 0.871396996280396 4.43272425570158 1.01958843694083 1.14081424432178 0.991271210647194 1.45412365863967 3.96428678084413 1.25233682948672 0.708275670166333 2.30010933604003 1.5288874460654 4.56178645673585 0.760395443722681 1.10307802735579 1.45065227450232 0.983543907098094 3.39308309012037 1.43019550843894 1.6914620919793 1.75423510270104 0.520234721149181 0.772910766402778 1.39663194404187 ritalinic acid 0.0706663266080566 1 1.65323328667823 1-methylguanidine 1.1051766902577 0.156908085038574 0.376432003436462 0.547781368972768 4.8437639649564 1 0.224924567584327 0.255855322185618 0.516452234219816 1.27178879616447 0.267326072422047 0.581155233156314 0.390440262030215 9.17366170250356 0.593220089445005 0.666564473497327 0.927712189393388 4.64839574045014 0.0859496516771804 3.79573837162979 7.6966222559402 3.4993037007784 0.179440812834076 1.33983472419969 20.9215468235245 0.335998150130426 0.154076987830352 15.3675749734125 1.52715047337955 4.5320306302374 0.604973169962829 1.64508312288469 0.398619179752589 0.142408779605708 0.376278713682453 0.246216254603023 0.22668090442687 1.16189216715338 0.439393388275153 3.31865389078841 0.135395556848848 1.01613353009849 0.171684524489987 5.22717628148502 0.194891034368083 0.195672205882862 4.09284509247616 1.71252108816672 8.02598564445784 0.4693619682058 11.7054117345472 0.0672283826805095 2.58957058083826 0.243099362938175 3.89899417672144 0.110501993632846 10.2743739369312 0.284268487437168 0.6014665585844 0.759710949218655 26.6061813010749 2.86116884736498 0.602292764377193 0.184696832704586 0.0917192355258098 0.345627691231133 0.983197884081769 0.335918474100094 1.84104891761845 0.844481049229394 0.0533361739570234 1.16974805053539 9.10307740006721 0.783653596333517 3.73525300603806 0.621472170548275 6.71122981684906 1.38878958253224 0.3183914795146 0.951037347273174 0.665397046444197 1.11626118495578 0.160347144999983 14.4074207829729 2.37102529194337 0.30189854123581 0.310644717652398 0.123089074337736 4.10005057695838 0.285699191807918 0.239364115994443 0.255012661560472 17.3940222192199 7.04946409209163 0.42322435038054 7.86268529007271 0.0831601245717413 0.467189930335436 0.856603930453218 0.859925208456745 0.325543269280733 0.533884830030242 0.7325050490354 0.796653779934804 0.423659970415944 3.02922291621199 0.289666538492183 8.55835489782415 5.02618310244605 2.77272412347706 0.545655231424226 0.982362151807087 87.3120858145489 0.302797494708472 0.91962420627085 0.0966790684139966 0.574600147573865 46.6560940038591 15.19990629406 7.21706695211471 5.75271504733795 0.447292573847555 0.564503808860667 25.5207928457853 1.15639019084141 0.259116843166395 0.969649494750042 0.588859558871926 2.23332432647773 29.1937513207168 10.3201287633934 0.25663129743755 1.05229085908082 3.5330863376393 0.653456900463853 2.78491282403029 0.319952090456544 0.201555241470335 2.09967298185811 8.22599326564335 0.227494985606352 1.50634983319996 12.3473372617081 0.586580131569375 2.22124994370715 0.453548008272451 1.56816457603691 8.04540494476373 0.32514142495384 0.41507747627906 0.342836432038078 10.083866816319 2.56758086251035 1.86081463544752 3.09941923102238 1.20966574173188 2.06938742989375 2.42009100388334 0.282759839123702 1.67364957789025 0.692097177043604 1.24343452189186 9.05201632319369 0.657008546120297 16.3364649477429 1.15145200904843 1.00954813298276 0.579001382205918 16.3361921439434 0.374044320657916 1.08219361968206 4.18161025257302 0.807507040936159 1.57060075726871 0.258458649872345 7.40773948709422 1.03160280459627 1.14746907357562 1.87397590319709 0.835804156317443 11.4064092438052 0.621039148644295 15.6286897796438 1.23540802787968 1.44171698381191 1.69354000602767 2.54000083140206 6.73836210330863 3.32589661515438 27.9984731647666 0.974909844839591 29.4294945075502 0.662491469468492 5.50358542136496 0.212069013298969 1.67013777024897 4.45220823850154 0.162230790282296 20.2940409257662 hexanoylcarnitine (C6) 0.940365465950054 0.651763771109753 1.56338630530933 2.46858929561513 1.48930935346158 3.26003172068501 0.456520327725817 0.986123821783708 0.319793352361726 0.516772792093113 0.808086514437341 1.20549537381017 1.14556189828036 0.362954134069783 1.30558881677154 0.367743618143173 1.75097912670435 1.9925398279085 1.0179915207539 0.443834019147323 0.658301895779029 0.843926865929103 0.438247226765817 0.35796594530465 2.01993316630259 0.299585746905255 0.512857857617508 0.840890215362998 2.24107124431263 1.57107223947394 1.75252355941228 0.301292785958359 0.344756243457994 1.46342814925481 2.90940887352391 0.750977095762886 1.39421857791252 0.802884618219366 1.10804136857414 1.35516508049047 2.78880790091259 0.237349511332555 0.379222368238906 0.711315953759263 0.629812504139681 0.785031398027379 0.400472370777583 3.35079560821357 2.79434090610257 1.1060515700586 0.588453495076638 0.248236078207494 0.602018611678555 0.262384468093484 0.363607376562818 1.2374854533818 0.22411275210453 0.354748868519929 0.60516847085242 1.21706531972882 2.40612395674304 0.946160986702116 0.189409924372326 0.655451371170472 1.87493534563381 0.565855733580313 0.998265772537046 0.744214584819551 0.396441869181557 0.405213701884131 5.91695722778325 1.16825865179424 0.477643756751652 0.288762073701293 0.620127009837684 3.23881945434892 0.514421551512177 0.52091689538234 1.67658659275962 1.41186123533521 1.01141939419375 0.923334646020334 0.378059883553679 0.740830905320982 0.664216848991706 0.386879345109169 1.18725594716984 0.270110890058784 0.433195096101857 0.774000044680712 0.823239434174468 2.09249359450891 0.556437864951172 0.417859784718895 1.380880664697 0.280533485081785 1.42125132592634 0.369080632765362 0.604268763786244 0.327811771297386 2.90623149836899 2.40817101470487 5.08646798774386 2.34904853995946 1.54809344715428 1.508513542809 1.70090122044513 0.461582875154032 0.963666588333473 2.18252988088135 2.33127066114417 1.6967850262224 3.12115797468491 0.680100907653944 0.525653378435084 1.24704227771526 1.7786480179944 0.714958414508207 1.58888667523549 0.433989456269146 0.48495036346318 0.237930033018522 7.20720634371771 0.950697520292545 0.99948892340907 0.344882358371151 0.726251038646392 0.365408821636628 0.456028905407067 0.344961696116519 0.309186662322636 0.360912579304169 1.00051107659093 0.433764545881162 1.7771563897644 0.350767306061633 1.36804334579392 1.98797938162026 0.264002931893295 1.6334962388602 0.637193404000051 1.07666037489738 1.73500138267805 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0.533245037607467 0.345447418696336 2.51201678579667 0.298450581658358 0.602821881782567 0.824553977412131 2.56595885299502 1.31854995758936 0.207472724619996 1.32652507161198 1.38349573112484 1.36810689460731 0.306614900807836 0.783698314259627 1.61920804158477 2.7308745096341 0.692367532007146 2.3338418330308 8.55033259286955 2.01225325944812 0.560772483652068 0.566247770796071 1.11778490849331 0.873643142752189 2.34518398593488 1.60361329380903 1.38317661125887 0.364394726706363 0.914277433285702 0.158665205000283 2.28163228992515 theanine 2.42516269283147 0.160079420891657 0.652096867814167 67.9239543567075 1.88358672113946 0.196050443149599 10.0640753019445 0.237481302882147 0.788245373160985 0.345518552005894 0.971224577500949 18.3889935369366 0.312562788828612 0.205280400955507 2.47837413211886 1.30965078248834 0.914919741923961 0.223851941151519 2.60348994262496 0.991593273502556 0.7608010738285 6.41485137186614 0.648065825017302 6.04908272497935 5.02268909204563 1.15636232223785 0.997132643493403 1.88875354408055 0.514201437724644 0.19814340410332 16.5776460607684 9.44045665617396 4.08852108588396 1 98.2100258410912 0.590595907842743 13.1682991762106 1.73518741767687 2.73410605451745 0.724795168887996 0.913380717969325 acetylcarnitine (C2) 1.10200729940509 0.838707086586315 1.39693449923994 0.669946167532209 1.11623040243462 0.978291553743772 0.13428380502416 0.771116533380098 0.354199058641513 0.504671441468129 0.856880416113426 0.942966278751691 0.982978115607796 0.382194303224308 0.718113051222864 0.76108409030377 0.954527992135402 2.73557140462894 1.17998340968572 0.468182728811293 0.895436089134596 1.01213573507258 1.06111448907058 0.508602045494841 2.05475486422729 0.393355653687965 0.880581442036803 0.75653215567571 1.60918460691529 2.16115112501504 1.78580919723987 0.363241268139705 0.346595601960971 1.24577285557019 2.81905882766708 1.04375635391534 0.836839645491639 1.15853167922843 1.06425932358066 1.07193184147169 2.88160702412364 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0.632641351139105 1.00537106050939 0.597426139398442 1.28820753946503 1.39775527633557 4.33389685526177 1.14133614000121 1.03122184222923 2.03746675406456 1.33553798165182 0.626540119206599 0.612320459566988 1.73223771047507 2.11043327421742 1.10145207966109 2.29063802037859 1.24891744618441 0.68873407200763 2.25921085684635 1.71582019707096 0.918211701393788 2.01339288152571 0.40201990852596 0.979084712255912 0.52541729797162 3.5026396063691 1.79577345503277 1.42761347682065 0.629626059423088 0.966982913784141 0.601887982043254 0.684811531623847 0.438880835111432 0.543121994062829 0.738507279394974 0.718430382026898 0.437284401654077 1.94642297771709 0.650739768577651 0.877884414747679 2.25687892198904 0.376508497403681 0.91461233351324 0.308238546057034 0.939208345781133 1.1790301086281 1.847798031001 1.49994469677789 0.617869362445935 2.18256823078361 2.56271969966459 1.5536634369788 2.73387355311048 2.09313702370258 0.588131087259347 1.43342894935017 0.683257446224085 0.383206796233376 2.04498136446651 5.17488776562469 0.471523860805412 1.01945553627974 0.795695647336517 0.71079950410871 1.97999724566177 0.967123144724154 1.2353457889941 0.925228045668609 1.31753717959701 2.53547982350412 1.56098776992837 1.42311353659365 2.54069455496335 0.995601290650598 1.35925940041605 1.42715733386864 0.774004917295214 0.831721627919351 1.006973702821 1.5623645607408 0.558508189893619 1.13816473592209 2.27358758935292 1.92146309118541 1.63085911591507 0.813117539622948 2.83978230082481 0.551141514787162 0.629403981753381 0.87214543241783 0.824267731851059 1.05549370641045 0.462011066048812 1.31079054480414 2.91271160325636 0.442233380382735 0.675434114804174 1.35169126405194 0.680379593102749 2.51414576820932 1.03664557014802 3.61408122998853 1.02578811654713 3.50033152872285 0.578389882719585 3.54097913193036 1.86090059712286 1.13398977709262 2.38556864177075 0.935870008099247 1.98568159597485 1.54651945846057 0.769825628658615 1.08653715684881 1.62768919422449 1.80132963348254 0.430048274428652 0.7406904023741 1.32768524307879 1.7069491650946 2.69764892787378 1.83975757522647 0.692730293199272 2.05434025437978 1.40186118510033 1.39689532313978 1.5710423157391 1.10885744963233 0.66352349331467 0.871221865674705 0.660647505472149 2.25587029722074 2.6572375581303 0.912768951564907 2.457558953013 1.2585945644647 0.988578494281293 1.01931150331799 0.576894567698585 1.09845805736862 0.225118592779691 1.85184453735579 2.12078636363907 0.733006252224122 0.936026330265243 1.3703405550365 1.13942884881459 2.15752980191775 1.67926134665256 1.44587347788827 0.537021453168591 0.903194578348999 0.842346113113667 1.04601054631198 2.00080182533838 1.23441205140028 0.983114357014739 1.54047056448137 2.13567658412804 0.503770403621523 0.824677623756097 0.384541455347446 0.492996201118423 0.543106498808179 2.04759723147477 0.87801499016534 0.59683643002633 0.673302395499855 1.32327625830507 1.92407730861845 0.329339084835214 1.0043987093494 1.13094367385539 1.65506001885839 0.312099279820866 0.536507139742959 1.55838412197152 2.32485552234628 0.96786947392011 0.725483521139084 4.04850021852135 1.26869970948728 0.727940696519964 0.449003779286643 0.838795174296335 0.932081174441249 1.65961464879794 1.69063663377818 2.03532823452409 0.403122674473269 1.21828287731906 0.261987529901735 0.502266425052458 cysteine s-sulfate 1.27033012466424 1.09033197711021 0.298401661295021 2.19218133566724 0.604144914968703 1.52665065688003 1.74664875073997 0.849849589441595 0.982822993418447 0.790799518364049 0.603613880458172 1.20689593146487 2.28274124417251 1.41735741871051 0.85328171541866 1.13084953440516 0.790140691928839 0.766332734196824 0.787389943903104 0.749339092918958 0.69225207762554 0.828415447251601 1.919644115598 1.17470149444065 0.71455069460012 0.39815077567819 1.14130055130403 0.663201429336569 1.36882924072535 1.71576444941413 1.3414425721615 3.48711409053628 0.898226887045094 1.14241792523367 2.45151195834413 0.857990149819923 1.18760579412882 2.15246865272142 0.231133173414447 1.28418910520148 2.14526236943947 1.38899459166319 2.18845389221718 2.23708892143347 1.55610669551829 0.947623835341716 0.337705732246386 1.44032452705578 0.42103251042672 0.510976010824728 0.474755591232293 0.942822510171673 1.03224356711291 0.686201291074298 1.36851942584914 1.46281268415394 1.23237162750802 1.15374684043863 0.4520236629837 0.478070664101879 0.362463538359726 3.58279373014158 1.77910682572645 0.848329509866959 1.26256112736103 1.57163126660322 1.09162654152365 1.56919194427628 1.80853709120343 1.15097676254193 1.50838178105968 1.01719741033423 1.08859497342814 1.00806404630578 1.30799008270232 1.31518294246276 1.32111989755168 4.17801844660325 1.10168720241731 0.845263577556409 2.00172358016057 1.31624017901608 1.01387696805605 0.980128087242151 2.80407484418647 1.3722307610734 6.45462030898262 1.2384460394571 1.16526153718114 1.07372761795584 1.04367235331782 0.189682412904837 1.04724032533247 1.10553545756087 0.548050166384549 0.850926692806737 2.97814838629136 1.07736217063712 0.64085502462545 0.827751788348652 0.846055565324896 1.25998058958791 0.585392255433506 0.96964378000996 0.856800825815043 0.914363570710413 0.68359820178506 0.664014357798596 1.11729446239468 0.516225681612863 0.471516227023965 0.629457380990414 0.426489977327672 0.962673750706413 0.536418953475417 0.334006746661906 1.27250043962033 1.98709355254839 1.66371716103259 0.90404303044052 1.01395375059903 0.916027013494666 0.743841355453507 0.998234806922779 1.66385783953791 0.730840943351397 1.10772671321049 1.06823149131297 0.577916964780707 0.583512962423536 2.14323649157473 1.13531795624201 1.24307232190678 1.05843178367727 0.92257876586828 0.530551263757432 0.425027887365916 0.494243322804818 1.11640689915311 0.491489353133922 1.13316858197946 1.60499354999792 0.879043063999323 0.82970625307902 1.00176519307722 0.601032268803333 2.01189860945741 0.782153159695608 1.1665356978419 0.877644333059046 0.635393799138478 1.79549372383252 2.53479685513738 1.42651279731422 1.04222851934531 0.544563272439765 0.831972143508184 1.56319753651533 0.778907889137821 1.16110883656997 0.825521336016248 1.88643378646667 0.737023817354197 0.407765238717195 0.831242440879455 0.532064900041747 1.24703333463094 0.712815838681488 1.16221976720929 1.06428068046515 0.0592428328462832 0.652278978362626 0.783228652238171 1.3385651060928 0.563201026630924 0.171223996960915 2.56618856557592 0.887037576463735 1.77139635497697 4.02824684782156 0.907212055396189 0.771212989673285 1.00796686001012 1.72335947787871 1.1408661661483 0.707321859802057 0.790253449509438 1.09133229793238 0.96780636838707 1.78658211637925 0.197248983503834 1.20536028060529 0.830426290772269 1.45002651145496 0.988627324114954 0.562013850389484 1.23186905086307 0.678737813120418 1.6770665846937 0.884525230179835 1.2866139301252 0.585298827723868 1.85753294467764 0.635786302907132 0.743104135652739 0.981952075343541 0.449357214672983 0.980927055241818 1.1098229303279 1.98410762442598 0.795829043399587 0.767248755303969 1.7632026374535 1.88671084795043 1.5033930635295 3.60192654380565 0.871446961653026 0.163581717700658 1.03235793551609 0.867055322359157 2.46631004844549 1.29169661230588 1.55168498753626 1.23501069183488 1.08086678363028 1.51443632619694 1.21205915477455 0.503373465188111 1.6071826578841 1.17339994979603 0.880130906181666 1.64951239058152 0.774277848102115 1.84077179879215 0.665940901604245 1.27326558034582 0.714829366906456 0.229530941888233 0.220806189854234 0.705217051630891 1.17164576400644 0.463959858301307 1.47425811552551 0.181775421800604 1.04995939384746 1.48545440633805 1.72909400626342 0.807864572776293 0.897454766088426 0.249858985906645 0.566781885226206 0.878675796451089 1.26483775660739 0.811703162984371 1.10782389950615 1.30897483223954 1.48902237835269 0.957712954100953 1.26860976614883 0.862496157516971 0.709016445156189 1.22022870995931 0.73867329967609 0.594902551945672 0.265507590330232 2.22123359477879 0.724368658225061 0.505083621827183 0.523878162749459 0.918392237982928 1.11080767986512 1.3261483487055 0.076410979903646 0.972478290809855 0.433819757007414 0.889509115242274 0.654674808479907 0.969944466891555 0.917348424951105 0.70030994911143 0.763213107800274 1.07318262298295 0.969980441929175 0.806465304895156 1.6543453952623 0.956111259515599 1.55685787578142 1.69805936149678 HEPES 5.71149683110783 0.13445586884851 1.05696629382631 2.7077325485119 0.943033706173694 0.122394508257185 trizma acetate 0.688077711363442 0.127432269459144 0.975593939673523 0.821395338109015 0.60207985976104 0.631035613314793 0.834015691210681 14.9215559736657 3.35516603950152 1 0.147998233832649 0.757479026762708 0.333717815224626 0.218706381268082 0.204635200769733 0.477879577701478 2.25441541837737 0.740557759603535 0.431553930710882 0.0721042763656494 14.6335281828906 0.566408880922098 1.24661956887064 9.56278395423781 1.25210852702961 1.17694607917438 1.05607548388372 6.29395235961276 20.7275237081606 0.0987399582182798 2.758495561516 16.5696469642351 3.41311247454544 0.440552157953355 0.100529685450867 23.1861810585142 7.63344662945414 1.00107881192295 7.73737849361741 0.866634100210227 0.33627084967148 2.17126617064604 2.81719064063108 2.93033656032318 3.61901892039726 0.665337812456752 0.564976341265709 1.03118735213291 19.0471107017879 2.33063229450182 5.25319112830415 1.84247286494751 1.83476136970232 0.0218472594750265 0.586487995993173 6.30041139177941 13.174092203162 5.83643296801787 0.882717755913036 0.627006544045446 0.870781627905444 0.165047185665048 14.759211748967 8.02463737552804 2.93528265267792 5.80679084756262 9.62490790228086 3.47862624471962 2.36589649468502 0.322604470775862 0.381154236495081 0.860163040971128 2.1032824022512 0.40709201863702 0.491077065526127 0.562211762147343 0.574547254861903 0.188599982865541 0.754807863398818 6-aminocaproate 1 5.34968965471731 0.105556662281897 iminodiacetate (IDA) 1.51337068746896 1.71305798629744 2.15789192951276 2.20672891187081 0.763316365537476 2.05250332785788 0.532356688697343 1.18095522106227 1.64398792947597 0.774098798246939 1.10667619486589 1.62440756214143 0.724196078579445 2.02525377822257 0.418126876050692 1.10031620008435 1.62160313072923 0.876671911956049 1.20028252695196 1.0030114420334 0.545641898373676 0.712829982715443 0.712877822095993 2.07364025587451 1.39798694333331 0.618129580307432 0.4331554305939 1.55106521325969 0.531666269601013 2.44720399532331 0.809718494796658 0.816272407343468 2.49075950593926 0.645510626297886 1.68270811651329 2.32311727267444 0.676153783281376 0.307920862195095 1.94503932400436 0.799870875999115 1.01217986860693 2.2369208776314 1.72977396814068 0.78109806404304 1.01542017623965 1.04714137621701 0.459739131207479 0.812361393453687 1.57010038302707 1.86607907918257 0.520141820638554 2.14709623618951 0.594299529510687 0.773540954317854 0.517280392847413 0.874758470940355 1.08136734044668 1.75596680842043 0.693784742314542 0.836658110490908 0.509288578625856 0.625284040192399 1.33238254715233 2.75257991396763 0.797962008320836 2.39748445175612 1.71439129997816 0.966899595533471 1.13218552251145 3.76070732557884 0.94053395433199 0.59216645990166 1.11954471465937 1.37865194122907 1.16399530896367 1.47943914086853 2.1972547375601 0.784136979652502 1.63781940061401 1.04639318647468 1.90823020356377 2.04822792324405 1.89197543195914 0.555405756961014 1.52173136251638 0.63279868911219 0.689352884137431 1.148923942614 1.03800218080575 1.11347691277973 1.85872692827088 0.973831309109757 0.859632131629653 1.14060527929708 0.534777687577673 0.507923736790588 1.79479371010529 0.978235773718398 0.719519278438025 0.776081469061072 0.859261572578048 0.787602253159462 0.782052988251316 0.644424907736596 0.772763750208017 0.905627801654697 0.752575314821308 0.613044896280488 0.541600864397936 1.04034196423361 0.523425652403423 1.95864814117798 0.662372072273979 1.54513114794788 1.9111430117168 2.31456565820903 1.1485247614902 0.850934046484222 1.55298894686546 0.726236695540109 1.06360494699973 2.45884856407697 1.1322204987353 2.63708074209915 1.48181852547544 0.751957878137752 2.01029983721474 2.40599288792866 0.759608581264764 2.01508045108314 2.07650573566325 2.23268777896955 1.76162215307713 1.30753526945814 1.25029843930138 1.62406975458633 1.39486497467756 1.39571218801467 2.06356802220379 1.91605890036358 1.71629765903117 1.37661299668525 1.19366769507312 1.55198025239098 1.23692925262006 0.980115678646972 1.2534567726999 1.64184104178087 0.977442423559536 1.15576622318344 1.16508393360731 0.956141170264549 1.47769576503097 1.91207988517909 2.12664968597496 2.14113975842728 0.951782005440511 0.681254329459423 0.536328079932213 1.30875772874344 0.807842404423784 0.850475226149922 1.77592726345315 1.14438557109877 1.56585843191188 1.45540858071297 0.610096347960116 1.43614313359933 0.662605322805731 0.697337327336608 2.85320693323837 2.36041110493972 1.06222430495472 2.59680777280298 3.5741611762981 1.51800760769517 0.38939149244804 1.74945505213397 0.932829439644529 1.37560139096664 0.740904498414431 0.83360424636547 0.552838044796981 0.773658090599987 1.91743889202426 0.971824568913718 1.06015433294905 0.506545071707466 1.29350158614156 1.24125031834313 0.776489740080123 3.04746768848721 0.93851016477536 0.992278531444886 0.89724273203321 1.49722237758464 0.854765543147269 1.3991244603607 0.723017210529441 0.721573460557524 1.78527393146494 0.911209291557747 0.557082695523318 0.439534482668601 0.831475672667153 0.70201797816619 0.524786158343172 0.816446111576771 1.09445906078551 0.866768793695874 0.722945905695289 2.01283104526793 2.47768898503244 1.1397720285759 1.7944996486389 0.882095415247049 0.70667377502325 0.492647855540535 1.72997146818153 0.663574457395389 1.21017682889125 1.00952777681905 1.0421665916561 0.382886322593347 0.589924590285812 0.652406310647129 0.78778474274297 1.03317261777403 0.862480365910146 0.911908857328909 0.817929762111015 0.793053041621544 0.990913705094959 0.58499532230429 0.992725572596362 0.470730796684592 0.572924008519611 0.755106084123171 0.858924043759086 1.27102351402337 0.708087947993597 1.15342376079158 0.871144512349587 2.04602434371505 1.14274960674912 0.912527770281654 0.540624358785898 0.922103962019765 0.649384248250604 0.524396247776928 0.870627229690718 1.06469277672919 0.614614867268005 1.80976405525117 0.84172641618871 0.595873469907315 0.928767531428939 0.861912451347542 3.53740744692275 0.837856815262908 1.11925678538807 0.550276067370948 2.8469692468429 0.63700861138014 0.889865608428048 1.05429163441274 0.770612000115799 0.6897134035262 0.705525253080092 1.18595594873135 0.8830786260118 1.2090838115725 1.47588029460686 0.421498969098256 2.43178762073491 1.38609799524941 0.797229711700294 0.511635227221611 1.26187115607216 1.351247171696 0.512486807424925 0.865567255106447 0.880105218557124 0.871115152142793 0.996988557966604 0.83920373023492 0.766342929006491 2.09397565231038 1.10176342393446 1.6539700332995 homoarginine 0.683130610730481 4.16933535277445 1.10397875387515 1.19110937238471 1.38771507583042 0.484991635678717 0.45555206156638 2.04126068548434 2.01086351533842 0.695487826820988 2.90762170165782 0.827751834102677 2.06916144481037 0.745779121525412 0.606136815261046 0.628789626911712 1.35456711413058 0.526768349321158 0.167838018677327 0.326169925748053 1.26555626285449 0.693655409806792 1.11747453453094 0.120072970145328 0.364015872454124 0.319788118223411 1.21699001516025 0.160211045175603 2.30832896720549 2.05273127222287 1.02983885777041 0.974283311919306 0.447432210835839 1.44258706371023 0.330293213390092 0.655989313680104 3.92110899286319 1.08977151302141 1.9698083933368 0.594493435017152 0.607705861341329 1.82243579614386 1.9354407456565 0.967619221434015 1.34596468064883 2.13561718881037 1.44895589832983 0.478219243562484 0.534848699069746 0.647775717989447 1.0596904438938 1.46458154118881 2.0517172661785 1.68482620668425 1.243973937131 0.919543545191936 0.688023026277597 1.32767656446917 1.9490969757608 0.677072147623554 1.20499578421345 1.55889334971273 0.129010533125492 1.09749621418839 0.539832320893587 4.11108985060815 0.13058325913216 1.21578115934287 1.45247039106193 0.78000818969946 1.22554037069645 4.37098772589668 0.59334806957525 2.30609841942154 0.0934167479482052 0.403166026994147 3.30835972253961 1.14751468194554 1.12848361657762 0.863872687217216 0.591759133259951 0.40292205719111 2.24740044934463 1.06339696822743 0.121720901736149 1.08568917038307 1.00956821618701 2.59784426418783 1.48505287850421 2.70061671257433 1.01340626295289 1.11818881290035 2.25926355380063 1.03890219038651 3.43892602606159 1.03843204485486 1.06749090962109 2.09603282624763 0.208488302195275 0.283451546892574 3.77347071895968 0.530447530404315 0.507780464861577 0.275559478947112 1.1720855504162 1.2324904939408 0.562611554319038 2.76550587930543 0.730601963871903 0.969027864647137 0.199372845052286 0.742945904278617 0.462340524247204 0.447098478777824 3.1673378631131 1.57321168707821 1.42933660371652 0.964634940880061 4.35305050700128 1.19549542540316 2.24868218167883 0.693411905817222 1.81374106172374 2.00425499639967 0.676177972093418 1.29360801561565 0.79411288171856 0.902700778326557 1.10119013826776 1.15834680145632 0.838483081707304 1.21820511287807 1.01843078319908 0.140421961553783 0.202959725197072 0.809932978409092 0.49787335773241 1.04264744710988 1.64046967832075 0.205621383344185 1.33934251337551 1.25082950024166 0.318544303105382 0.29599685846082 1.20691325876661 2.25212403080084 0.899915656320169 0.205233290854639 1.61496911604314 0.849844318734588 1.17739924766234 1.2519115383428 0.857077703147862 5.95306582294805 1.12668713707236 0.610024098510325 1.04268543419807 1.28411101066232 0.922920110556634 0.821833347942408 0.537667406227062 0.502412756544001 1.50310995120453 0.913151303445647 2.86427917933869 0.238697679642215 1.06316934847707 1.7854022514139 1.22725586853058 1.45253951778035 1.68135088886467 0.33272829986714 0.442359991290686 0.529485672177508 1.01302336428349 0.665962892390929 0.291406033842536 1.67389575395071 1.54641048043966 0.881284957626638 1.23995098570962 0.561728045917283 2.73795401426575 1.69278761096419 0.120785501714234 0.392191415143989 1.27899036980733 0.73775415699798 0.511173869383086 1.00348515812906 0.429938143581714 1.22134183088891 3.03758903893401 1.1831299644143 0.923075040115565 0.325948501316791 0.177208275786447 0.392932524369061 0.707505045662355 6.3318741144231 1.16484464311544 0.808954537222881 0.485599172892293 1.43288999187307 1.18482734210458 0.718649306776982 2.08889635432604 1.00795014323939 0.984816961451478 0.996514841870943 0.505819879272096 0.987414756572346 2.33517326158968 3.77703885011244 0.927714775147822 0.124775962646325 0.762553879624694 0.576871548547842 0.246219751951301 0.555989084266972 0.653931303204122 1.11278812498935 2.24131399084837 1.0962189303728 0.919790053678364 1.27156413861896 2.02118116716621 0.280661277647383 0.740594873841585 1.2267042056423 1.27094539859152 1.43830216208601 1.11326747033697 2.9922928250647 1.01226746548086 2.16563003955583 1.32980221106048 0.473783581409864 0.783617009658514 0.970226728765657 1.78044457540014 0.482646195003282 0.723803136841451 1.08877960982602 1.41939858986386 0.292434363651001 0.725904072028364 3.01899178564736 0.781855279837848 0.291533573569641 1.24522958391107 0.353624878296042 0.642751989626148 0.448949435167983 0.47166853207492 2.8143456060858 0.392994477560094 0.320234740175013 0.799456391026555 1.07948183329228 0.445781926887013 0.772332305783762 0.903035255686118 1.05654026387378 0.95850211065322 0.0648886543362814 1.14276902093101 0.568873391585404 1.25662880802654 0.583159960472467 1.289839607963 0.473369612982259 0.496557155201699 1.17514620108797 0.398906256006446 0.0471433040076972 0.849425668881645 0.69861937430235 2.03415102112775 0.620033428404697 0.693768043502972 1.38010757333159 0.796899960141506 1.14221484265002 phenylephrine 0.948708105062489 0.310229260688668 2.02734721317668 0.797161076322586 1 1.54224102024769 0.394954673580936 3.82003684514987 2.03380416544338 glycylproline 0.542480917928445 0.651670147435419 1.02382648367768 0.263089555207479 0.227859824469804 0.271570199646951 0.571568334949405 1.0315761666791 0.526726088361801 0.466768603465851 1.25427885930235 0.48840593222446 0.17877974192586 0.655709082320181 0.250266030183238 0.120080927873499 0.313151090226499 0.382777653464608 1.46651376146789 0.188878322269461 0.302437781258547 0.737819795629149 0.953580219288431 0.427054896695756 0.829107928693966 0.169026752194127 0.406364834290545 0.254071877874742 0.357493597871759 0.441963775142339 0.589104572238383 0.671987270331419 5.10540389348848 1.66374406404615 1.55744635886726 0.656323810944532 0.32088461251585 0.640041271972353 0.494787548792919 0.612495338256135 1.96198130329927 2.27951443275901 0.762173988712364 0.338721066109744 1.82116431714776 0.857184058079113 0.220718032868402 0.325573705278337 0.726656472986748 1.01267186295716 0.453357077148753 0.573740707590562 0.403899704134656 0.738179682255538 0.514463837298924 0.371410457223838 0.376658959250143 0.748636284527983 0.263798761840829 0.594990179259591 0.871897764849208 1.28573879316775 0.853757365555307 1.82641281917406 1.10276721115835 0.610117227319062 0.863245568235499 3.37021332139927 0.850059048755625 0.343922950697397 0.5785951368688 0.925712314462594 0.320300962183934 0.811775565003357 1.02378110937073 0.594727256905597 3.46673317421248 0.788507247457796 21.2514557072176 0.856292732652097 0.352277417269586 0.406476094577459 3.29073121006439 0.49599835906616 2.91210437333731 1.17223962606599 1.76153128962482 0.902769075855896 6.33906292732652 3.36307712389051 2.79507657691256 20.0522040724994 10.1430602172994 1.19417654956366 0.683177320305313 1.93268441858731 2.27190833146864 0.569570622311728 1.48141828895353 0.774057084607543 0.120210213570026 1 1.35379963203302 0.595073469083315 0.663229407523433 0.966700231222496 13.6209138261107 1.5614939956739 0.960387608463241 4.47807612938515 1.15644377315333 1.56047151985281 1.32651848536834 5.44887993834067 1.32062852738619 1.61325427015738 9.01269237463017 0.651115710698391 2.23494816140822 3.13904676661446 8.15841102906442 0.529775490415455 13.4621155615226 1.20069428905298 0.558515452126998 1.47611571069839 1.27058688247433 1.38533850476119 0.40523669227518 1.28096827527908 1.579871833122 0.945107655204992 0.916890430372194 1.06298264588151 0.587089455756943 1.02912284627433 1.27085477735511 3.06517925959076 1.75945525969021 10.3876998334204 1.01356380995003 2.70764650307054 2.00048979388876 1.56633661520101 1.09142052659059 0.762435667934661 6.7979892344795 0.900064021282415 0.796862957161682 1.54028181795579 1.46242261505184 1.54512195121951 1.68352228935133 2.28681596678352 6.50472700827926 0.671340220282937 0.71306531413938 1.0450106909326 2.45651836105517 4.38299085055071 1.93392879341637 0.803956266626886 1.3436637577385 1.22239066656722 7.54216702717486 0.943959623082469 0.808515452126999 7.02122150120584 0.264471917654956 0.32551092712762 9.01859911489023 3.49714390492529 0.957287238009995 0.374019790656622 0.52790457721091 1.83364225156013 1.02862870142463 1.11285211705328 0.751910693418861 2.50666318589791 1.01944941697123 2.71680838368017 3.96362907436414 6.18181671266254 2.85163720444544 3.13933082220731 1.45550396559012 4.72841923373362 1.38003468337436 0.915675269138012 6.16840270008205 10.8895092116059 2.89372964371846 1.48358320280451 4.29178414261207 0.329284453394993 0.811438676313369 0.875460580293876 1.2167692250317 2.74731110613858 0.874429402550906 0.447808980383382 0.668778747420502 0.510977474453644 3.39965876034907 0.816648019691206 1.33966087367296 1.14685922776659 1.35112565575197 3-hydroxykynurenine 1.03696811821445 0.121546855515224 0.631357645546308 0.429191830360025 1.85575214924275 1.22732657400311 0.754646074216717 0.181599930559481 0.124098979922485 0.94637727762894 0.143861109077525 0.238286623155139 4.38147556777972 0.582346477916957 2.50877844922147 0.509941145453484 3.87183776124756 0.769630152012339 0.204876713733623 0.461429158778156 3.07138874550822 2.1876345834789 0.375532348995445 4.02879619238607 2.12843901235071 1.04644637835878 1.40700268093533 0.540625329170609 2.23467126802774 2.66543292364045 1.0147459165855 0.936803876560211 2.90998587404392 1.81199288420021 0.378001688442509 0.207336786207531 0.210443693407753 0.454140993289785 1.41473195434595 0.309264841752533 0.666349736184719 1.27431939487901 0.923517508246834 0.199280697543603 0.945855238141132 0.598970809961255 0.237933860376987 0.238525711062573 0.147546893200915 0.533592314343143 3.92648942653808 0.306382813100905 1.63795912832379 4.1316799817626 2.87879942038172 1.65736911249889 0.160376708636788 1.48821719808124 0.823872834887559 1.1013352781621 3.81163765022922 1.42167229944185 2.27792888092341 1.21440594223031 1.79687536199114 2.24414026119891 1.17736461492792 0.597904490250063 0.431215737297374 1.59881666930775 3.913315497499 0.647641570776662 0.219619232428969 3.77611054634058 1.24989165363885 0.89611445082527 0.837174030357986 0.256047703906616 0.291333248694979 1.13575652325408 0.496741268889566 2.95567514069582 3.06884032789022 3.61826989935758 0.516007923879847 1.61264175766062 0.265783585904687 1.69244275250108 1.38548291587164 2.23038004165813 2.69450341843195 0.270032801995983 1.90512967121088 0.606078578372182 0.225281970825715 1.53243054480844 4.79427968281004 2.66252309406935 3.83618833331326 0.198352146833336 0.599441572197598 0.288312833244216 0.568509651398093 0.784908919554333 1.193703524199 2.34864638867601 0.42908248007678 0.464216046505378 0.971300493033862 0.985254083414497 0.534255211822928 4.45632614556005 2.41141098006581 0.184415854802593 4.80057998895995 7.12527125202676 1.24098238564632 5.01499180027325 0.320416099450685 0.0861031543849927 0.42268456180963 1.45390344987788 1.29937852589022 0.11482273979297 0.224527639210788 0.685725123660034 0.764163255648297 1.33190683726547 0.38040801247211 1.1653144608336 0.772092695679088 1.60300843016548 0.497989839072833 0.287145812424725 3.00577177978089 10.9590588214943 3.543973486572 0.517113782676506 0.562187104512614 0.66250394232483 2.90674119784277 2.15895762614744 0.316711163582773 1.1002979949668 1.03552617719132 0.396785843030449 0.662604643433129 1.06524288891092 0.482562182162127 4.00109226723603 0.444263635501527 0.224090855876018 3.04957552629457 2.45115764573165 0.888678631564608 0.85351664641833 1.76083177879859 1.38687419744151 0.598572330115531 0.297241252981263 2.66414852116098 1.0793354838889 0.981775261691599 0.95308100601025 11.4054569498129 1.87013696277426 2.97371546623841 1.08602747410422 0.514217544666038 1.06113638420624 2.70385811893419 0.598640287918678 1.74755158846731 1.94703121703467 0.197452014840749 1.21756906906768 1.4521742326869 8.27900261421313 0.110727355456069 5.80478317908457 0.72742773846007 1.48362325058853 0.474021121903016 1.64939024861127 2.2688070903465 0.32615173803626 0.269564510952481 2.30018073686646 0.512513657201689 0.787121872744071 1.34768046117401 0.595835484043353 0.12203676949609 0.267950822026854 3.24745814648799 0.425037755193135 0.960275266170636 0.283951177878623 1.15049718855479 0.159277645620444 1.23772164669171 2.31045039651834 0.669522129995246 7.19236351988059 0.505421333746023 0.612826788224643 1.26054249478656 0.0891383969928054 0.232988385702543 0.758803238374659 1.18009713641263 1.76377373387663 0.370222991175062 1.21492427492885 0.375445857245985 1.09519930633617 1.3287381502442 2.24517939778884 0.341267406850703 0.146339715497746 0.981059233565718 1.92975263668554 0.288510528671552 3.99672134489728 5.37677875688498 2.9199182158729 2.00151175222091 1.20045605863894 citramalate 0.761054821609157 0.617208484434682 0.653666046158107 0.3467139884959 1.40969668081598 0.439835361258366 2.67687392511385 2.00573272613672 0.406765905094397 0.546528480054622 0.376936405387474 0.877107098918512 1.83697157469613 0.915458392646651 1.50093076283905 0.97665041320717 0.406050924643637 1.15123446849899 0.796488222146358 1.02334958679283 1.25018518637801 0.387145810923098 1.55441258880895 1.08152065391726 0.664906054145276 0.651443809621962 1.75572789518773 0.28763470296105 1.05411306997146 2.19708339506213 0.67085134203763 0.319905442225071 2.80577008547559 2.06143034737744 0.491094950692114 2.58176864263216 0.326385355139164 0.688635675592113 1.12809100219647 1.51003227073926 0.840797686297496 3.38489136806034 6.84160284446277 3.26053629975072 0.390533916482554 9.30633369619128 0.702973932199241 1.74613685112304 1.50511758529846 0.46078235608603 0.698638960637428 1.53362662561434 1.64383667527649 0.70243286591218 0.401844778388267 5.60232916154049 3.04251879239158 0.394392234410528 0.421007542721692 1.21225901616114 4.7390063704114 2.10954015806865 0.779180542225715 1.22470354076355 3.55256394566149 0.756745615108632 1.73358926627547 1.14282217598825 1.44864057095376 0.76529961545646 0.311853860572371 1.19904798098539 0.704268626528995 0.468769525085508 0.607945944901416 0.836108445142964 0.890698168748269 0.580660744996747 1.44654715972406 0.588531971220427 2.31150603224497 1.5075717073862 2.82596989352588 5.23506109540158 1.79523217540854 0.558734677840115 N-acetylglycine 1.05584475997714 0.771969136097873 1.15220349372391 0.727512372022059 0.685418994924515 0.599530735818623 1.06716044499869 0.523155140089574 0.482488451371901 0.543720107984247 0.732067605570366 2.08886637653172 0.759036924644674 0.567743858325569 0.924650127942754 0.727170874655512 0.971965371005836 1.13967242291766 1.20394817403593 0.410437433319164 0.690280186185561 0.582399215171843 1.55517408096567 0.714788648141945 0.608373775817271 3.35409740539415 2.34720148098312 0.864163396549346 1.984434863204 1.29629726070201 0.951049229106202 0.686265612816233 0.502987794064245 1.53552487494264 2.80634900080791 1.23240083380954 0.811639834814504 5.61063036789524 1.07368795339449 1.22396861109625 2.51637744660607 0.521026631516424 1.36747175125339 0.444079058487714 0.757279471169951 0.785824674794574 0.613000968367597 0.70296397193986 1.31832375287484 0.626948171220903 0.994876659807396 1.36051635950084 0.813577625641473 0.897825430628003 0.969072583936921 1.59467658211279 0.989191370831304 0.502117776301455 0.676832473813257 2.79153353958062 1.15398927335835 1.0999387380819 0.553571101827794 0.856542603951728 0.996204294597691 0.729747323617754 1.14243325582639 0.699649459375009 1.31937604331756 0.516287717777146 3.50301506459068 0.668398491711168 0.717283637402636 0.457318811103573 1.11655933222046 0.991495114529173 1.22577937405169 1.78651910555488 0.663220434526809 0.764314387296368 4.62067823734577 5.55799473309368 0.375310356184744 4.59782553619133 0.599989056601649 0.593926554666321 0.531261699935536 0.741607187595887 0.891311293587098 0.781438694449058 1.02238276840532 1.35114726225027 0.502965449826454 0.490311749620676 0.937806661468259 0.690094922544667 0.74354075588973 0.312159030450094 1.52263963917047 0.508179574481262 0.778912036189924 1.94647429040331 2.12555016087851 0.478358813974896 0.634492430405617 1.36111701483798 2.49180019254751 0.810479166021558 1.01374276187447 0.914297708290522 2.54711467273961 0.892718452751262 0.788600814385889 1.47998589673936 0.398946161295135 1.07134075279321 0.719637523681373 0.67035370048728 2.34625598544071 0.413597999363805 1.06343476327072 0.598963508868727 1.12319838586634 1.18775475949859 2.61481595385616 1.57308430709639 1.2440156149275 0.5872246908402 0.787331767242714 0.731966440714228 0.621645373370454 0.777427112040694 1.16321234133832 1.03262733752396 0.469201899013898 1.17856670335579 1.33805301108837 0.921591078632012 0.435677801017349 0.812438245453036 0.649063512528256 0.772849710193477 2.26066277583698 0.647287057654467 0.509945473022236 0.654906442741043 1.10980222358594 6.7504523388611 1.35829724240437 1.33835773722895 1.34170409473112 1.34876768889502 0.788463582059301 1.39169730349035 0.561500667160234 0.896114952834305 1.18954071507191 0.825065554826778 1.29398595163229 2.13002182345871 0.660640994603603 2.65392188876722 1.76601976286254 1.27108996951331 0.634943185816793 0.839020498990815 0.561201747002705 1.32011674600337 0.424450965130321 4.03363933796311 0.907151950669553 1.36100494177127 0.93484473041941 0.846380374229036 0.577625113656517 0.608295483015564 1.45292491350845 0.932426098632744 0.724447692667149 1.85986820066603 0.684437255972773 0.932250335691383 2.27209158955852 1.85584412659717 0.646177763014551 1.01946534989317 1.47927774274639 5.57444976874594 2.48432208638177 0.859624701255781 3.42479527751895 1.34522392796922 1.7717854559069 2.90960594617115 0.788621047357117 0.955303607169298 1.94419605784307 0.711880202512689 3.85269358906871 1.81714109172187 1.27287645290327 1.07412744871733 1.82783553655728 1.06831354841979 1.13590715494163 0.926577010559148 0.627199763819647 2.632608476876 0.823485975559978 1.22191206152512 0.761680230381407 0.669447263376281 1.83092590298871 0.676482531380459 0.478341571964632 0.86551231994415 1.76603630111728 1.55188613517173 1.59278471133356 2.67548143915189 1.59703838564114 0.886648385444084 1.10866759374727 5.56021842460104 1.09648540974054 1.01314193059845 0.519326710055541 1.32895749879658 1.06197922091449 0.983894730841664 1.20844481993711 0.835413751945884 0.885879884415193 0.765967684953989 0.669092922471477 0.983810456118028 1.28161340175714 0.859526175482847 1.13500969071352 0.660787551690843 1.71321346734715 0.712902407406886 1.61417500851544 0.646280863198372 2.22540251297021 1.75289120361899 1.03379240478892 1.51776278934908 4.3350574757134 1.00379570540231 0.690092635339224 1.59460427123301 0.674665610564215 1.22557722027829 1.62068826586195 1.56114315935559 0.600054153987338 1.53513816128388 0.378243433257234 0.508789554579056 1.33221659061415 3.10713023981173 0.917708283483984 1.25461470088983 0.781998531965983 1.70943025360534 1.06437304531904 0.553719066426076 3.70150315141722 1.46111240523932 1.58412728685357 0.907441018249788 0.782187842201122 2.18324738132571 1.70074714204883 1.03411138197879 1.08143735731357 5.91250524297863 0.981175947325307 1.49938491767468 1.30221813183874 1.32282251004259 0.855526205040579 0.916142075572083 1.02545518907096 3.04915697126144 2.07360825308175 1.33440368683442 1.35830867843158 1.68840766868316 butyrylcarnitine (C4) 0.591534531451501 1.16013909493559 0.91800632208876 0.952868341537842 1.52772004474843 6.47907838369709 0.208006163235386 2.08662653393909 0.341082112769721 0.741851459088912 0.556094054258719 4.8536729648792 1.6452501869696 0.332693414626582 3.0368579370138 0.420573553817409 4.49161322380359 1.31750081841176 1.14909091850964 0.425257730644939 1.03565037581912 0.306056996508133 0.339338941532548 1.14125364685947 2.41329426670065 0.267291344818088 0.283717996159882 1.19441948783991 1.71772639847009 1.083694029002 7.77198230701309 0.434915547387581 1.06103420821313 1.50752858220663 1.64763607372489 1.42001550039702 0.719739565334457 4.1930817440315 0.93330319941305 2.46835645600574 0.266637028732635 0.309510163013184 0.610354702225905 1.62125776134098 6.16315836991198 0.669463174928964 2.95956820649319 3.48544052334706 0.785996742996058 0.349441272176079 0.119206741081413 0.281117843343762 0.255400928626793 1.48277173154463 0.370674085408585 1.12612424755958 0.871980423643075 1.56698413506687 0.301629106798887 0.479027269558346 1.16270483181678 1.89690972596939 1.17324682671785 0.661577985495902 0.257387877106786 0.349078320458839 1.01335901770584 0.622357900179929 0.388826603578318 0.401006234864067 0.492469571622323 1.16916472209057 0.655679000563454 10.8310809288781 3.40787984655894 1.09955338229076 0.928043485649747 0.309949689496762 1.51493484180388 0.433317948115347 1.01037714835928 5.540939952088 0.606423763186294 0.793806955840705 0.814712418146941 1.14296686603799 0.518417395494353 0.458530251930568 1.51600462903969 0.737280312017236 5.5933744062304 0.511342179165472 0.584741972176632 0.392842990027218 2.15964764144691 0.996910019427919 3.47387613545203 2.78837403265631 0.910900960817679 2.30213203685834 0.445820989992141 10.3380041323095 1.64424603524779 0.962248295760239 2.4233342408504 1.07035974172177 0.770922343060547 1.45616363975212 2.07429940185298 1.01584399149235 2.28257846774609 0.428693895843466 0.698024405471957 0.678407818550925 5.99334237654045 1.95789704970431 0.542911869429084 0.441791349688397 0.659787254688128 0.500176206004693 0.847858187390412 0.180911812032453 1.05506269906873 0.763953488227911 0.347045410586168 1.26032862092662 0.519132635224417 0.930570921370376 2.1437509238605 0.268551535665056 2.75525295250627 0.324957406836181 1.33799769826558 1.15391176710437 4.67114332835735 2.73303497280349 0.552039201320503 1.6721141801133 4.03965316397828 2.63177855282978 3.57162604284382 4.78600635961839 0.43427090303404 0.802053691696627 0.831837115028732 0.394554776356561 2.6889759078398 16.0894690587037 0.320851742861935 1.32816738852644 0.79392527611658 0.588691786248608 1.29431690548336 0.443090117243848 0.991154374522277 0.88764592897171 1.27271221278108 2.21374191358137 2.63894753811506 5.44669010945686 0.738202019802058 4.38840121270292 0.849356010761634 1.46016021430574 0.368367584008395 1.14127491915872 1.31761393083199 1.34065136248732 1.66882901517369 0.90576359032985 1.68957763560516 1.00064314261739 0.411586944247577 0.676471212675502 0.542340741259995 0.8696219539056 0.632139658375967 0.631330759908665 0.413694279612828 1.16152689202326 0.488278956225039 1.16251539262334 2.83532701207122 2.44602737538252 0.535328515185108 4.03015742452085 0.469769162625171 3.08111379830033 2.05739219494266 3.1320323806829 3.30626380899779 1.62498958945523 6.07176725426296 4.03833855241756 0.919882031874364 1.77464004934402 0.811326843546111 0.404175807452185 8.20481347217697 2.92489590178546 9.38934913887211 12.9984706952792 1.15651015641381 0.361633137789376 7.62950408387502 0.446548243611418 0.965367167531494 0.568918109459674 1.82830300632285 0.484951880447143 3.27660143386594 2.92636043896822 0.933230151660058 5.39005060120629 0.488178904776109 1.1057153226011 0.751210361450394 0.868283452340412 0.356009149678828 1.27316998053681 3.34110546545575 1.22862782496375 0.646041216154432 0.944507942165854 9.7315986655049 1.03918086106988 0.482436100403434 2.50461299591168 1.24623056992802 0.870783112830934 5.83714299684565 0.96438530763623 0.784641185014762 1.85915125702825 0.401038887292318 1.29427042054964 1.57385999247727 0.8768565471501 0.185196416824476 2.39914427491956 0.56538440029827 0.54983845521114 1.38493607364084 0.999356857382611 1.07728310359319 0.256734305000711 1.86989076467675 0.537006519339737 1.53160201892306 0.294558437010648 0.998259405135858 1.2693033543812 0.766103313082077 0.534807150969963 0.583047132044229 3.34251362553454 1.75729816559347 0.638078873304404 0.495070799075322 1.00299521964317 0.648021523929608 2.44507976609344 1.06851318490587 1.3062272713439 0.351244898626403 0.93262763858314 0.263476934992887 0.367032196134677 isobutyrylcarnitine (C4) 0.437120673554775 0.393392954215871 0.871360551279174 0.465925787404334 1.5756959504535 0.921068398699733 0.242142433909996 0.207695831734965 1.12461548172413 0.341644996884855 3.4036358524512 0.874728010764463 0.303163087323415 0.949650597166022 0.743272720821669 0.628442741614442 1.14465024507125 1.2300584252761 1.28419332879306 0.725835542978327 1.05321822201515 1.58631774121444 0.569946690998727 0.102819046846981 0.342846404507921 6.26547036409032 3.76621000638936 0.57650087484744 0.456163433504717 2.92013661539182 3.5347304955449 1.6119857589407 1.75906477490253 10.7692615630384 0.720117441524993 1.00800169289936 0.161657816765015 0.459228370316571 1.05084912852193 0.689526459571314 1.9345586905121 1.76321823941872 1.31620571444483 0.454584574296647 0.368459554210029 0.159430384575633 2.02894183478561 0.241862330026786 0.336933757359113 4.50765086128856 0.165441651945213 6.53509894592949 1.99418241750423 2.0722090519627 0.801935321715347 0.86256235506734 0.272497213885196 4.39082242845388 1.1039318834065 1.16420605473138 0.952860226871046 1.30883846582342 0.708567310742791 0.207233907346059 2.06264809290481 0.501845367723084 0.786044666127231 0.7567817074349 0.336144945301052 1.40915925850095 1.65582340146306 1.1364019267659 1.81859774134993 1.12667007589472 2.41557531790004 0.465524532229041 4.2882088934218 0.998026079789897 1.9987997151878 1.1414062199268 0.711068446793465 4.10114100601271 0.32782323259231 0.604721603070004 0.238698323869816 0.458239922487126 0.569437496272502 1.08484634436269 0.214141364919201 0.235099715054931 1.08889048452788 2.09173001705905 0.640356213991807 7.76017441145108 2.00634388137413 0.516942607728603 6.97862256070978 0.937973888172567 0.801875812739625 5.59870339298659 1.33839608751315 2.89532971874318 0.422095330871496 3.85222282024376 0.20324130419946 0.494433955207744 0.375465557149885 5.44680493595889 2.97421642632245 0.684132813030265 0.388566364587504 0.423270090450088 0.530033796419832 3.22877250742211 1.29436966305775 0.305691133407765 0.823201696297739 0.415170095459695 0.399827670988796 0.688282048292208 0.124400594438527 4.65537205020978 0.268981094241689 0.715890844594612 1.04867873512437 0.411764310696961 0.376805295071233 0.632932076286689 0.900545062919233 1.35712416100531 0.6238184450765 0.375293767087895 1.00146910444624 0.926710485857664 1.22354911643487 1.01058718947286 0.41262176392576 2.15360524182006 1.07618221176786 0.723614136540575 0.78267817974469 1.26365532161729 0.379837670368069 0.602098230343413 0.456103924528995 0.375657220964144 1.36348653133165 0.856326937222541 0.655057476033088 2.94309622618216 2.02393829016528 2.53446152620275 0.366011639394246 0.324400119115262 11.2490843056361 0.950310884807334 17.3216780700274 1.54721884708396 8.27339680994837 9.77425183977706 0.950614305729459 0.700549206091316 1.02264741322997 0.248924248947603 0.637247188140078 1.42197172810903 0.374823758460777 1.03421318851019 1.22024146534153 5.98512058530184 0.393289580762447 1.66216196819911 0.741375769296202 1.11610861750413 1.81372178547063 0.294607792528207 6.742714796104 2.04712949940956 0.511328815404411 0.55292454147726 0.374817096449659 0.752437814196398 1.99443838095389 0.667636999814194 1.36889754401405 0.331485093085792 1.3845753146626 4.3511179275711 3.8762645212895 1.3044432601285 10.9279872340896 0.389947796218886 1.45572750218728 10.1171355216056 6.50223438425997 4.39168358695853 2.92691360234272 8.45386533908505 0.490549890444537 2.94406629734049 0.383628990954018 1.54788317684438 0.797613959548156 2.39559310210129 0.379458609420829 9.40242445181146 1.80674561187269 1.95656144188527 8.36265626883925 1.51423504290083 1.06920064867778 0.41634657668161 0.821333226741155 1.52722413065761 2.90073743784704 3.88603091730822 1.53420056624475 6.07408927360631 2.43636393646036 0.341339292913976 0.59542641334332 0.675071916503593 1.19621267662072 4.15588840285526 0.934830130038153 0.168629386838415 0.396139649002213 14.1839709504877 6.57643073659555 0.379764762516052 1.4288525376377 2.52064077243998 1.04827624485713 2.47609725615528 0.709636301538118 2.57241421757758 0.677287334616744 1.83236377679665 0.687325787707493 0.778890040456185 0.603916098557119 0.878054487653263 0.79679161287233 6.67574114920478 0.190662004980527 0.571860821530392 1.32355009515167 2.80221505132827 0.534688708267296 0.739354522608237 1.99403955853547 0.113724983610236 6.04886521529515 1.17199637848584 1.10873332207154 0.692763598142474 1.28543373538009 0.340114530824966 2.37200512892517 4.03048064707291 2.08076966139599 0.584153167719854 0.99973690670136 1.27463532647045 1.36586808802545 3.67805015360333 0.512558929558533 0.655553908142506 0.32135797536392 1.0781551401617 0.965211520630798 1.00026309329864 2-pyrrolidinone 0.777435344841699 0.351939474664765 2.22985479315523 0.37428514737113 0.553933596714739 1.31143083160289 0.607391116149105 0.923890337202853 0.213470236656903 0.589003040477047 1.7022143159778 0.671379798999779 0.461103438430504 0.778178765381651 1.69659863411005 0.534122855442113 1.70414023520968 1.60028089869246 3.42135556948207 0.303375662955621 2.39916673378898 1.94275760070148 0.291147614734952 0.3772416396704 2.36713072741596 1.48118004954609 2.1485790042716 0.737431101401841 1.13249306020773 2.20912611332997 0.485082311600766 0.249479556508147 0.308960403074398 0.625292636911509 1.54607684817195 0.381870950969279 1.77741471700906 0.842149767232917 0.448513748286744 5.45102084851771 2.70443426368133 0.240241561743032 0.550690606739866 0.462164625820939 0.483180621886589 0.297126248229444 0.641722869324972 1.5719488979826 0.453185133815697 7.66628079522587 0.302716063449904 1.88649518716648 0.519634586130369 0.263038427360233 0.320438318523859 2.64443297362322 0.433739145012354 0.289448601662145 0.934963390508447 1.91412420443688 1.67284519368225 2.22508910896276 1.66117851719281 0.529459164422162 1.62662476924659 0.314302520590179 3.26369278805131 0.541046440127225 1.9926458502367 0.594754931525418 2.75691163363922 0.449256513974866 0.242149308836636 0.369813000511439 0.802805614437649 1.39456623597062 5.24670445816577 1.01088036315463 0.51677124650391 0.417308748885933 0.571678444176828 0.499201899332248 0.355676222919421 1.42540566433736 0.480136870580978 1.34698764883964 1.52008807102261 0.835325065174128 0.332994283798376 0.281130510005154 0.35300393631435 3.53716235021083 0.957713925358679 0.30774892718899 1.25394564598841 0.381989806576415 1.27436245262966 1.72037008296318 0.340112686902898 1.15176043817446 1.90834857500968 1.35571764229767 9.30926310833279 2.9329618358902 0.739435439140363 1.20764631190724 1.50044120642043 0.438681966624822 0.406105707492094 0.847044620948841 1.54676329660269 1.44380667333306 2.3798675955085 0.642077144164976 0.711527946129269 10.8140589157094 3.86413461658098 0.424218581682616 0.426202946440324 0.453308245959728 0.516701341071063 0.594585324901461 2.85409377347235 1.08760329469053 3.00196177236958 0.335245828102704 0.661290824281644 0.321842320847273 0.397875202267359 1.60288540813313 3.14711901211672 0.270638801411599 0.521940155710668 0.355246967544888 0.649887889366713 0.517205740693082 3.13906580802495 4.11821843630551 0.893539919440128 1.11852703523037 1.81329519476276 0.386916911744964 0.905057617138258 0.861902390405635 1.76078786533365 0.338519596113585 12.1339270220024 0.653639044361628 2.8848723006189 1.2363063933839 1.31185648529236 0.224182957743066 0.845855737451566 0.34184264172467 0.363762169602695 2.71455729069462 4.74095453167289 0.343151526819784 0.703786287795592 0.428550099111825 0.377888796991349 1.14826156484703 0.503935823210961 1.90720684084416 2.54601529209993 1.69010856133637 3.7997500757991 0.506853351826349 4.35224365333978 0.778681364161138 0.320182598884263 1.78628583103644 0.874401383570946 0.558351554585502 0.681177528366544 2.40374332951555 3.61367016292059 4.62593291828824 1.97558761491831 4.36978778871599 0.483856101549183 1.74147251947038 0.465142891943554 3.36870580977995 0.427566675376196 0.270310393218878 1.6992124751893 1.73407793260658 0.908082705166715 0.43691157470255 0.442901831817024 3.16517147622593 0.248801784864148 0.288932578420144 0.989119636845369 0.451813382944908 0.490800314066938 0.526481225725461 3.84943532126703 4.04934848791438 3.00305635720334 0.422091950364851 3.27740505794456 1.87214230847057 3.28116390744848 1.68985185941903 1.49370032539587 2.09779491743301 2.33776471566661 0.283468985889908 0.485204768892966 3.12875074571252 3.24362763684275 0.549006818972105 0.460085307547888 0.407543107258836 0.502826667923982 7.35868592192987 3.96577891678339 0.713985113908202 0.966075564662362 0.937335100123571 1.28330068896961 1.22801073040209 2.47403823548865 1.10555245592356 0.933818545796735 0.476482961082811 2.15409089212429 6.01577652657421 0.532438085396608 2.52733662592834 0.322986510707155 1.03102000375885 0.650998681783266 0.52434133365814 1.13076261424709 0.53970890526455 5.29203706723298 1.46604871573733 2.13920611002951 0.701231383381039 1.79332434221771 1.28969351624655 1.78932385238854 2.12813027360364 0.655482615975896 0.264663114750341 2.1638468746869 4.82939325358548 1.37600888110052 1.23823967969887 1.21774494568986 5.00876240862361 1.56310283203771 2.18470095863759 2.11576863560966 2.44115075802374 1.32451706314671 0.373534523461049 0.403388890962586 1.86684701286064 0.329460048472132 0.454966003367248 1.62732677040829 1.366680025644 1.52404026552932 0.214341844442567 3.11116568209694 1.85796345664848 2.1816094031484 0.53639928411598 0.497614047357575 3.81416254601153 2.59050887226002 1.8230398811313 1.19437262902709 1.41391776239749 2.44511621328 0.264598120706218 0.657254481314785 4.01361993578523 1.78049874170221 2.59013740755948 1.91185301457766 0.898569017781192 1.02528399286735 0.516435798654018 0.48353767984687 1.071500651905 trigonelline (N'-methylnicotinate) 1.33485648596078 1.15788643594215 0.946635691317581 0.395732497546322 0.269336031153 2.06593612767339 2.32335413763373 12.5568014724394 0.055249322381962 0.312187364195585 4.74127811272435 0.187051859954033 1.3781718295261 0.295608012586382 1.18106961009947 0.562911848071025 4.34543453152367 0.798480307439894 4.11512790500411 0.201311933591496 0.302157765127014 8.38367581544621 0.276786382414389 0.128321451617026 1.30833228111136 1.87284453943276 0.532843811269336 0.260151566442201 0.179904083834849 0.376387364350513 0.219414231256957 0.20055278448919 0.690590656733691 0.198998233041732 0.222114323206956 3.69936022322082 0.240385957600748 2.8876259470966 0.854877804106997 3.41538206502499 0.583087242499336 1.62721084746603 0.252462935319722 0.0509235668543108 0.131580060406579 0.0608312372813476 0.323425869477481 1.44771081686767 0.673672631667827 1.87313549494585 0.351066798149226 0.632399554116099 1.55198598827657 0.198062465576849 0.379524509283696 9.51546673338916 0.180573374471985 0.267330483167418 0.440108171000659 1.15889780846048 0.117341366886691 3.68095442084283 2.1765848980455 0.686196887643609 6.36760664301943 0.487096092008871 3.1776257069576 1.87300349595908 3.75084556041084 3.09663069487706 0.331799284075918 0.243442074986889 0.402600937781534 0.194686885854186 0.457380827147172 2.39744275202395 7.30762177952296 0.808164726059497 0.199619495878517 0.206339669646198 0.0377795973256262 0.0825063385076833 0.117785546575734 1.51834096484752 0.306295437591359 0.176356843458033 0.650926665422075 1.13593571711316 0.229374577335991 0.0762534287588919 2.11450974073509 0.404550556618967 0.595919805967687 0.357453256168667 1.91649468324504 0.211938626668288 4.30644478855761 11.2049903983131 0.183081200292195 15.4556594178256 1.96869114173701 0.306791828147235 3.6710321871473 0.277671023511158 0.385840165029719 0.0802457783950813 0.823797620145028 1.79723437334178 0.396594054313245 0.737559521550152 1.82789826472459 15.3027568732043 0.110262688828656 20.6545767782487 2.50132750389451 14.4038343226802 1.33207025382693 0.0680061258684705 0.151767074464006 0.990156005140524 8.56082604718034 18.6764069627916 48.4901508150395 3.07196578561474 0.124524001893225 22.4904369677726 7.62919733925986 0.30666215308629 1.59296671595972 5.34958940103911 1.45730398266661 0.423659269094343 4.55672679695628 1.46194486253591 0.688954612954027 9.20660754082944 5.49250495189861 2.59019070909949 2.74635604557683 18.6440202677318 2.98961530506562 5.82727266389293 1.68213001745268 0.122218357619649 6.78443976732855 0.807068297856024 1.41112680191399 0.505564795312487 1.64679658444875 0.0611122773775892 5.13459000913303 0.557171286502097 0.195129051474182 10.0000661544218 6.15894118840919 2.0142938480261 2.1865102303088 0.381624718514485 1.44952611279252 0.327081559726056 0.875005325663345 2.42073948868984 1.33178038281256 3.98649799096613 36.4820454265527 7.60918632385146 33.036905801216 0.149673062368747 2.59040838348494 6.67879564868129 0.067766296723497 2.43638353761932 0.330177958493136 23.525687204232 7.20508986233838 15.4646726866674 2.29932582911864 2.78378349067602 5.37312085421316 1.18752934924654 0.0548658746211033 1.24614696971692 0.511028654780044 0.978286941318549 2.5261533837522 5.65197646018069 0.120393920919903 0.228160558485854 0.327957060047919 0.847420016282974 0.844336786428893 0.0930005678125428 1.98480075047311 0.664361900320624 1.40706473450309 2.02097513476833 0.466534461108714 9.5978776360097 30.0137709647158 0.347415600823909 0.345534305405684 1.88782038222383 0.708278830817425 1.68299963049579 1.35894134333758 0.354328195649766 3.65782485190783 0.141995586090219 0.572901630543822 88.7924808605342 0.413539346775437 6.06935307327571 0.249134918612245 0.183985517294269 0.109385019509357 3.41830354964177 24.7916822046929 0.211801515044709 0.283439162333191 1.36266055422532 6.40260682506029 7.37165337251989 0.267031316449754 0.533993379909971 9.76564168627156 1.79127939088355 1.08934673670463 0.803974532871543 0.352117212621396 4.63461131178641 0.629885376231971 9.33481651443661 0.0931610736227447 3.83693802632078 4.20522217118193 0.2045922323554 5.37794718336317 66.6158603289594 9.40022201238033 3.02884998981346 1.37193100419159 0.942774875882995 2.05916622189309 0.542613905287628 0.396806461133503 0.276286893290749 2.63853301407757 8.46948708633152 1.5979749310375 8.97099105366022 7.4865101528446 12.1713157835619 5.50852051910306 0.794588041542498 1.01411599023641 0.211780754640686 0.946387496039643 0.873221480201314 0.191406277233506 0.808944015852273 0.512795148262594 0.41386825974364 3.55885613272405 1.17790194427381 0.603687450568161 0.0727813286503646 2.02161715800914 0.323421996267775 0.269737915392058 1.53808426400107 0.694131080261426 5.45605293593169 0.558364235091435 1.61125461783427 0.410516384064376 0.317336564106656 12.8391150800321 0.0976945881190067 1.00395842031917 4.89875910107451 1.58537801364764 1.22038160411304 0.996041579680832 0.16182254657341 0.0977641509653201 1.27459894850103 0.216552858854816 6.14139756251167 glutamate, gamma-methyl ester 1.64433333365543 0.99424100616193 1.66036865290757 1.71974426588772 1.2427831400624 1.070509023551 0.827673704685367 1.45446191575442 0.6707464371057 1.0798813995128 0.62041998138956 1.31337622946305 0.693427306713769 1.48336510764777 0.836172085693055 1.20668410469387 1.46033348052909 0.479471989162269 0.707557616510919 0.970214599822399 0.737971094875558 0.579417104791464 0.685620294848889 0.249437870022601 0.94595483827953 1.87044003157784 0.825050270411816 1.54015062281199 0.951408972628353 1.20584247992324 1.6055896059824 1.43999824138108 2.32941686322293 0.804790400646244 1.2788768609232 0.506516069621984 1.74361027072102 1.60277919766394 0.889375622642895 1.03206822281895 0.824443450255724 0.985519898966377 0.997083784663877 0.697301582853659 1.11381163258779 1.11485762433774 1.45408603511633 1.25231156929683 1.02942063169205 0.948310614617988 1.00445259120903 1.25880831343614 0.782499422651205 0.483965647021991 0.993846766315297 1.66391391270486 1.25734682380861 0.932416854526463 1.62343234100201 0.849918784659045 0.98804767210067 0.851946994066111 0.27467260216658 1.00802683923034 0.858992581913474 0.697297234620056 1.30129635337805 1.6913846031947 0.794539198359653 0.693384307514811 1.10211536733394 0.818151556232806 1.36529848691133 0.543776566499469 2.2279957638542 0.824262756992684 0.801270263976431 1.590021480274 1.09672645648916 1.25979487932686 1.01153731315882 0.673330737276827 1.1946080937054 0.78352898774088 1.89222903016032 1.23667918635853 1.06056026506832 1.46532090447124 0.710824106220583 2.04421283927093 1.38995103888964 1.09092881168573 1.1084797319169 1.40657820104879 1.18248860038091 0.436747212057555 0.900934676969726 0.951559228256175 1.38236530380142 0.934513186259968 1.3130670217402 1.26097373377022 1.67145181722345 0.695674377212164 0.840472488725997 1.39747638184448 1.45641910401265 1.14207080277089 0.818099860566642 1.35473227925709 0.639932921249624 0.806138353063041 1.898576968083 1.36260789658548 1.1812300283215 1.47655915578562 0.808881605329195 1.03756632264087 1.0936865580639 2.04370602848769 1.02385054444716 0.584589087093186 0.651200643925083 0.806245609491904 0.843583408300102 1.09834641507465 0.952104206867697 0.758361411649208 1.47415409946633 1 1.13299410669406 1.27198925889673 0.850795678435564 1.1485718951438 0.332359167960669 1.42962287286828 1.19592899044645 0.801974677820047 0.702389499305732 0.754681356610233 1.08421417272923 0.751718276978615 1.14566099431541 1.22930844726511 0.385396505759477 0.907770583330032 0.943193709941898 0.23151445111281 1.53801950520967 0.958137622559796 0.964836801130154 1.80962756896057 1.00264179348209 0.863730223992007 1.48654704837072 1.11379520592751 0.983252053574103 0.642383875590273 1.75252414960629 1.18592612061227 1.11603696191817 0.791812855890842 1.50465550877715 0.58643998519668 1.88877315072041 1.04900410956389 0.334105225320634 1.70886160345462 0.707320879348113 0.623916444343093 1.98364146205007 0.35145564366902 0.827783376799565 0.965641707483696 1.06738699182436 1.57174343875706 1.18492506060955 1.15675478764677 1.1551725137525 1.01643245792118 0.953571011002964 0.612175247342021 1.00802587295621 1.76231540540514 0.653043328698438 0.806575108971565 0.967515313029337 0.628540549210892 0.929001075463111 0.762270956794985 0.92032393374065 2.29556731403813 0.53274992922042 0.889163042333436 0.742126073651347 0.400360226997119 0.974844019197934 1.10043066838148 1.02547823322572 1.47445799268144 1.46735249583777 1.23029501315582 0.955900697939807 0.453308184438542 0.857103515981691 1.23463406715412 0.452898967342833 0.77652881477781 3.57525632837087 0.846212640218455 2.28469141552397 0.815341631051413 0.976703613768633 1.86096378114664 0.374466495893818 1.68490573512687 1.15456231163694 1.47600354815862 0.994414452368966 0.749741763237714 2.19477236030816 2.46070549607065 0.758534857856244 0.235373266866557 1.29622631299745 0.900526909285218 0.735495500544496 1.49414292933734 0.471052359496494 1.67201467190645 0.346792404698798 0.427102346789989 0.62793856042547 0.45605240297883 0.527513689688792 0.591634191803483 0.829599489034238 1.46974450745625 1.39782085857322 0.224865035660347 0.745411405706622 1.72359052007773 1.62229841830587 0.755839919296784 0.701526616504156 0.646211770571735 0.877670660921845 1.36873793969097 0.660545964211139 1.34168999413472 1.33969850314474 1.17312298833804 0.640100569811857 1.00486808908661 0.992556307209468 1.24541043943249 0.933756110476054 0.392470598693791 0.961883867376942 0.693220040912047 1.35738760057706 1.22883352352829 1.35387567723738 2.71000325634383 0.579999284957141 1.74696420823981 1.46426283429462 1.83514590256285 0.40523942823627 1.04514770949548 0.569113723701642 1.01047054651499 0.968956510900055 0.854413408792901 1.48253411189261 1.12160125151826 1.19282290224301 0.728163895553496 0.816462509046742 gamma-glutamylvaline 1.52087314793494 1.34993618573464 3.45673326665087 0.825069859795889 1.66558990013688 0.881012125208486 1.56011424927062 0.611122190322505 1.24004918027627 0.957336385272008 1.30319085671134 1.15011176810281 0.987250495107932 0.322145552308472 1.50701909104627 0.823915620690605 0.943512212370114 1.79040742353295 1.06310115374901 0.904835958229837 1.33073313428473 1.11665843794489 0.453351953314997 0.728378427538883 1.20548392673833 1.73887141251206 0.990389509079014 0.289796813992464 2.12029770985462 1.55406804137522 0.939656859313322 1.12031886771726 1.55375246647485 0.650369587218069 1.68991865299882 1.84992477005169 0.923924334861149 3.96768377546161 1.79778709476368 1.6609911131797 1.13153476625323 0.465611480359865 0.625797220095921 0.96639999923497 1.68259484490071 0.524504769544058 0.763450752564455 1.57775193764782 1.47120891046451 0.727024563401926 0.904673867485557 0.725318466674155 1.78622669362813 0.688006436452917 0.506618844850031 1.59438209737215 0.896381738525236 1.05357557319579 0.670064489245012 3.21665400316125 1.50029304237434 2.07761237942957 0.560462059031393 1.93374162297063 1.29940626893524 0.545468187041722 1.56937693043084 0.772390288214317 1.34562723360388 0.586358565684983 0.970901244859307 1.16564522535773 0.928627755617363 0.695788943825397 0.862973991408473 2.3712819987271 2.36968276713605 1.93178458044457 0.744084893154587 0.864834687961172 0.905888193326922 1.11790527756386 0.873068642760566 0.515945995731053 1.33049948135345 0.574085570923407 0.517854666043858 1.14196523392607 0.712083765372771 0.885419973412815 0.876419075976769 1.78297165009772 1.20564466274188 0.740673974749147 0.634449231947671 0.874305919503776 2.95821784334599 0.343580977415954 0.311093418020036 0.739650428279368 1.73323736456229 0.722852519775928 8.11774713150584 1.00031553505505 1.52617464687986 0.645854873877025 0.78213461955075 1.16204536046523 2.71591608783709 1.53627965801403 0.937486564657611 1.82478070233983 1.22799700825432 2.115464871513 0.582811615371733 0.814647759639349 1.27585234808246 1.1683480128125 0.503326824866649 0.459945954610687 0.414133563809265 1.53010969056805 2.02968316638611 0.823388148401328 0.94594182034042 0.905141492110647 0.540379940226448 0.465202667420753 1.40926554205388 0.771794441363295 0.613944354343118 0.938531707288501 0.469852297000767 0.772701480129958 0.641714387741063 1.06228137622373 1.41817312176055 0.701507623225723 1.21502058428932 0.741534235115175 0.437148297849951 0.642713070733843 0.333477002259986 0.915010140832073 1.04149766109989 1.03549536274239 0.676643588392629 1.13354846881823 1.0761120837574 0.929551529416621 1.80636236453738 0.765795171249788 0.625288873558182 0.795715736026855 0.642202891311582 1.1986492597358 2.54192179456289 0.58827130021999 0.646619107032208 0.903752564095872 0.790541024876506 1.18656776156149 0.563923102843987 1.1781927543445 1.0364915753256 0.832114910065337 0.864579917012567 0.704355208557754 0.970510999837312 0.811523169672551 0.471435829537436 0.534725650856298 0.660161493861451 0.771302351714363 0.596999336934101 0.873328195147056 2.65970558375918 1.1228076858267 0.540979293465253 2.18676272469122 0.595447282196838 1.6423490837749 1.03311651770429 2.26512602894053 2.10366786889281 0.406831431562901 0.796564042798172 2.23396260907605 0.632011495532962 0.516063300340482 0.867237121426169 0.584173926715619 1.44175804226895 0.84626206909632 1.91847305737451 0.659756585763277 1.70633420585278 1.15712820943559 1.31471715025665 0.998431887600508 0.852024259581394 0.685550052430459 1.48766279451217 2.88562286576037 1.10976798750037 0.373122692931318 1.05490529107143 6.37114843722887 2.11828241347699 0.807690369064448 1.03776224244337 1.22766294512746 1.32404820597861 0.493153200098832 0.676447230676845 1.48453469815759 0.937239125247096 1.86702821243594 0.780908818258463 0.999684464944948 1.4605207232897 0.837689827566607 1.4319025425017 4.91649732739537 0.554829764275511 0.842887728690695 0.352511667405731 1.09650475695294 1.224116472958 1.45731963031676 1.63485298453169 2.01092168072483 1.00069661565444 1.40746126646822 0.722458848056782 0.439500048073373 0.842840073693115 0.729657462172949 1.93749250160965 0.760265278955262 2.14532152440368 0.679741880451063 0.572262647729994 0.659375823926419 1.82350525378418 1.42774779174272 0.7808355825682 0.914303524003396 1.03383723977473 1.37215321655495 1.22690261681322 1.85766520077078 0.659258838079515 3.4952888691752 0.637546488027897 0.802422419875354 1.27229408169955 1.15417471525442 0.700521929805862 1.45508661913413 1.94646391351208 1.51383088683759 0.589786936338701 0.913009029386837 1.78720848220705 1.86420620779659 1.39571454863645 1.05340447741016 3.35456637080059 0.559674874974365 2.65757250462833 1.0662216794936 2.33400734341199 4.53818231168417 1.2608554478488 0.862308734017496 1.90079847223497 1.33796808732882 1.80368037633741 0.786881073247923 2.18714165364356 1.35877770190787 1.75512862008141 1.35923488706025 0.791318008532715 1.67745766803776 1.55269688437125 0.980523888601582 1.02759602890427 2.11019341593613 3-methylcrotonylglycine 0.229720914717764 0.532869426633557 2.18649790593381 0.445665468292502 0.739855824469071 0.994103257848115 0.740515547978207 0.614449056743634 0.0938882917608688 0.884611393202624 0.606141358733924 0.867017530855046 0.682971350209407 0.303456135799266 0.501056298876988 1.2931655609503 2.28984099922168 1.73385715874134 0.713654052852007 0.983506912271599 1.75294837107594 0.304317853304177 0.704944220006671 1.07294021718987 2.19235387865535 0.828112375375264 0.403917571624477 2.50226455653979 3.05323561024425 0.537743226715096 0.630399169786146 0.504731107075349 1.959749453319 0.704397539008932 0.763077721359475 6.18102183017679 0.799028946295541 3.31599644194063 0.236616507912976 0.536887068677959 1.67904080649346 0.529669026351877 0.696647640932508 0.882204143656647 0.349362514361958 0.210540750898781 0.719941810903969 1.82043845669175 0.702462844223713 2.67454875653238 0.541712686705459 2.23496349282829 1.13021941366147 1.52548645343019 0.613101812386494 1.84802824209629 0.808759868055298 1.68761165264445 0.88116822949483 4.09484637337386 0.497500092657796 1.1410585226641 0.491395797042363 0.45245357844409 2.91188058263222 1.38560839109003 0.637822912419851 1.10550943256366 1.54376598346985 0.679646788480783 0.900005559467774 0.842707831436937 0.809121233460583 1.013162966532 0.262851636336681 0.857694303398688 2.23051962492124 0.508498573069938 0.716969348801008 0.511639672362033 1.40011118935547 1.07134464993885 1.12120566324451 1.37218412957266 1.67537897038657 0.730186056854824 0.859076757718395 1.78700011118936 0.954540232015122 3.03142396501242 0.30213112931322 0.68042140765724 0.568325858937771 0.689525962714503 0.527319224639561 0.81643934620659 0.591338349208702 0.471602238612357 0.161876876320374 1.12619250583744 0.147077573107001 0.319626774396798 0.754490196805159 2.60173084763352 1.22893517660576 0.323816759942182 1.09735739965161 0.548106074645121 1.41150995144732 0.350600422519551 0.434894926059079 0.346927467477114 0.522526963418702 1.3538286201401 2.98905896742152 0.340624884177755 2.07380008153886 1.29486119862125 1.07046810718654 3.4719376598347 0.72567362217857 2.77750083392017 0.781310922501019 1.46542752307179 2.21776805900448 0.345585782587747 0.875343760424002 0.842741188243579 1.49209814313776 0.422419480375079 2.72086097624254 1.19446832956525 0.655967162077017 2.85010192357585 1.87877580519625 2.94907156888181 5.99186093917942 0.330690115266299 0.410216448611986 1.12260108965568 0.546812571809792 0.887569030058189 4.06065379341018 3.04873058819169 2.09410511100404 1.50819650865424 4.21634112894259 5.53545643230421 2.48973351617805 1.06123383121456 1.98645528334754 2.63778028983359 1.11901893925355 1.03179644935325 0.850548534153664 0.174413476149883 1.28585300767207 0.935469404395686 0.838073088469664 0.927847374078055 3.80245913791186 0.883579185352656 0.910714947555687 2.4683128868463 2.32309032281976 1.42295318928135 1.4794892702272 1.25726251806827 1.07186723990957 1.00589674215189 1.08624587672807 0.982046625403061 8.65445313368667 2.76683406841852 6.86704347503799 2.15012786775879 2.49292650383603 1.03734479819132 2.57189874356028 0.803487639449983 1.1905526110967 2.30817241762722 0.574524665505356 8.00346725473481 2.62656499017827 4.12446536451577 13.8314184055446 0.870747933731144 5.65928801749379 0.859204625477188 2.09410325784812 0.475299284681813 2.27856454542085 1.83212816426374 2.4766724732219 1.59447388903302 9.1271487342945 0.983833067714317 0.705053556206219 1.76204180719766 propionylcarnitine (C3) 0.623694224142813 0.874338286128787 1.36893431809508 0.867173674333609 2.58815382115744 0.904283730970777 0.335801504381831 0.413055170315591 0.820712946977308 0.912172772240623 0.47682775000056 2.807034262365 2.40379706596126 0.605163698021306 0.289344977402171 0.583456490277175 0.551499889291283 1.0151924743839 0.802523791788617 0.809440084543194 1.14333232578869 0.547541485959905 0.58223952147593 1.10046382376782 1.56212440891202 0.449781682883499 0.124240682417127 2.44519317789053 3.38648344653866 1.92681725555147 2.81795210264221 1.47596113438917 0.760796798576804 1.93040082043292 2.76520741987727 1.76698697380212 0.918707259791539 4.02530956140711 1.25242707105936 1.38470537742436 1.80002469753717 0.532016984222951 0.365091374310337 1.00832998484088 1.99290860122134 1.48713050044614 1.53026509406899 1.53529034790201 2.50135032793679 0.427150731018251 0.368743488886924 0.182606970876197 1.51111799330529 0.538456432606682 0.436745430070665 1.82695385417104 0.525065327006971 1.36821643759474 1.92111649759859 1.59879436318262 1.44565385871524 0.649401500244686 0.485019410341304 1.65291206099932 1.14945241005163 1.56730164411493 0.653152368837692 1.62051198153767 0.355825219234114 0.459703548369226 1.22537308871642 0.88319060248379 0.994655613518558 1.36547529663932 0.885143517921463 1.6367177233927 0.718595670914559 0.62442907551974 1.04044853744551 2.20463224423758 0.850529738347643 2.84686698733343 0.57268431951355 1.72627475545467 1.65378188899553 3.62253646145695 0.901554016846435 0.963372834243602 1.96618571469632 2.10455019744508 0.76388975494997 0.597487091929246 0.536813091702301 0.923199890058529 0.620204230554993 0.628538297213491 0.850759381520058 0.711161749486906 0.588634290046836 0.514478774500369 3.66894790213572 0.529406235604783 7.95818215670631 1.96400969376923 1.16092867459548 4.69682813356721 0.739646761761124 0.693236913160595 1.3747870122525 3.32337616360666 1.91662270432409 0.690869854135654 2.41664385017182 0.747457384708991 0.767786146269208 0.441192590131374 4.84473517198309 1.66076454092624 1.94460178574835 0.693057505137854 1.41610041515247 0.970656411544954 3.54106709653984 1.83963021826156 0.509057985200255 0.591063541745277 0.679008442152963 0.728955775696568 0.901230362018324 0.124610914002352 1.69681918518418 0.561246298721539 0.93337747040932 0.511509243710725 1.02322446395558 0.691865196612376 0.5554273543646 1.35440023581276 0.895853620216273 0.907942755844419 0.181496061585155 1.26622586160268 0.902849708835706 2.4291706605295 1.13677951240097 0.597435084039967 1.86996636587924 2.0349016747438 1.53899325090369 1.63483498360241 3.07566906820002 0.705730696363224 0.823695970912347 0.65719997371603 0.643211567783073 2.72205044682833 4.98282731902159 0.357068045192643 2.16272680276651 2.3091568781001 1.33380239044677 2.24080155200304 0.449247546278567 0.696549711827346 1.88731727493587 0.558924122753456 9.73661791194275 2.09356372843339 1.62784893297985 2.3489283362845 1.28683231096599 0.675415663542108 1.45717955672398 0.685145858615221 1.64752659099526 1.00534438648144 0.621934729274688 0.296975921335256 0.590571250828071 1.57699027578369 1.33475513071631 1.2343311032589 0.489455866216378 1.71522159981812 2.19670438335781 0.666260050636105 1.25870962634245 0.611592069605345 0.937225591271184 0.724937121801319 1.04168996327849 0.621188914011419 0.877352451565917 0.504222640331577 1.03749140454176 0.830193750332989 1.87110200319406 1.76445394344316 2.61105018714456 0.249593809746865 12.7589414628567 0.9648674795566 2.07584924967921 5.79171107948647 2.17295933804503 2.12413191298651 0.540265496435712 2.26546497805278 2.40972590888233 1.22635349275686 0.643387125460559 3.51661162300786 0.62099711939412 0.733808080150503 2.75234281793999 1.31418621375074 0.702218018483272 0.840160724702273 1.61995103930331 0.385721467729254 3.02836171654105 1.88796846881135 0.431133139727962 2.92077562913018 2.19714214841802 0.745325377405958 1.25688485626636 0.627399893521581 0.955367232521949 0.850478114363756 1.76961155430574 2.77504045643009 0.484962919792007 2.52472277048397 2.35114928543379 0.514712539010081 0.803549507956645 0.45946127019288 1.10349001447679 2.12190646988587 0.856704325884912 0.448165971876006 0.853052888788429 1.77952857580872 3.85928013346674 1.49982329342917 0.434548746000419 1.05655238629297 0.419905973326829 1.35042225330639 1.23198974331256 5.70653096408981 0.965808612333707 0.903827752987118 0.773898202392924 1.30869418741775 0.615139897411333 1.09448051144644 0.802395894836412 2.39276009080785 0.88120624067798 2.15509242626757 0.395324928857673 0.695800215588848 1.72902726678449 1.19938106772705 0.553474574422948 0.938322352519399 0.576954352401201 0.416158096937613 2.69367668807844 0.71308767863379 1.93870843149338 0.904824732707423 1.25912935914058 0.571903523694271 1.5922895040949 4.99701015045292 1.56491563822976 0.789647796894265 0.904275488296184 0.524632225268141 1.61794307860723 1.86001112320708 0.879194237683947 2.06308991685868 0.598790597522377 1.48079955050098 0.586084604968663 0.294559564341451 pro-hydroxy-pro 2.16915626828682 0.636958075434054 1.6472212712741 1.75156169826096 0.950609775149212 0.722564415200053 0.431669129105648 1.05405015199108 0.542411559829717 1.10165991959 0.825145086855683 0.814557612079339 1.23753438989552 1.48292172881571 3.32413736830801 0.453291494889833 1.49535804317036 1.70170596409903 1.42972374706421 0.926514780557493 2.67771647410658 0.914907049450551 0.56447752066064 0.472921396725592 2.69268029500651 1.76857236977111 1.89785389987047 1.99353665780704 0.886879886934673 2.03971667311511 1.19706414538451 0.439390822735761 0.730207321831966 1.02097475937125 4.08746228459951 0.948679969423156 4.51216712800183 1.05362477279297 1.05278507895182 4.35060668443993 1.85121818142421 1.21502885470223 0.638068183317917 2.74480510699348 0.50823442296335 0.965643850602664 0.607236900380148 0.724310190212746 0.851921156650835 4.01160608907172 0.710341734231045 3.13690163239171 0.384258201229298 0.696991374066733 0.619262567815287 1.32543514393651 1.66467108745516 0.746837194632859 0.552726840413022 1.67659959858224 1.76151186387326 1.26444872826367 6.86404801642453 1.05919658193949 2.44056799317945 0.430707940004514 1.82015656851839 0.767741008875032 3.22741983660798 0.756174758339989 2.26259640511532 0.582379709871099 0.994506670929206 0.545717774721239 2.14706731896286 3.29541115917312 2.17123990355514 1.54408746394198 1.59797948947621 0.906226391907216 0.862524299819303 0.688902631854047 1.02126538425865 0.9498742661407 0.880048851621953 0.844254356104587 1.68378302692956 1.04094161604134 0.768415118043303 0.723817625685826 0.260618335830762 1.92651476521137 3.32688604318559 0.750492856103267 0.625605412246293 1.09473841887907 0.55543676632869 0.635213973148826 0.728766090640712 0.645950013747057 3.26661151883715 2.85200511529266 0.968753604420764 2.88894257474437 3.69250705261799 1.07481689465789 1.01893650259021 0.980049011221638 0.979214826638833 1.00865487605581 1.26226038639452 0.313882259875062 2.66477289363866 0.730528638966423 0.680258467392465 3.06418187759085 0.473217561563583 0.488920329003701 1.96181468585963 0.632086187635579 0.531745957938485 0.988665429891879 1.37015276574898 1.28562016355407 2.07210555689885 0.534698061029569 0.229138909365733 0.993024020550546 1.14135826943361 2.01816488415303 0.488733628064843 0.390597362590657 0.852089181357357 1.55489498678361 1.00549332907079 0.564078321949272 3.6900358203077 2.81739311532385 0.817674348383645 0.80314460793386 0.609829812103905 0.330018892919599 1.55173113788007 0.361176434443601 1.10094485161802 0.764144905710041 0.698795771271308 0.694658210829833 0.850957496823813 2.09125725817932 1.5520920940516 0.620971634900498 1.2894710430619 1.98041777857005 1.62605602047148 2.49604442923746 1.20347782752173 0.681249919049198 0.94410771468659 0.450084492686928 0.695973250847306 2.98208361562528 0.831651919962723 1.74339521258647 0.825646628864867 2.34322627325099 0.661523413365823 0.691492366930233 2.83741620019055 1.22676460317165 0.46210417513389 0.504000826480829 0.85264511002833 0.441466293866357 0.878068158150274 2.72154573952018 3.4649443129077 0.331641975674676 0.35575721180333 1.71678834914936 0.597006499206084 0.734094755806037 1.03264900057757 1.85133817276408 1.14721923023967 0.59316766640523 0.929468740529524 1.88716721240551 1.10313506571425 0.781440339888399 0.838853610197045 0.919870415491384 4.14314968381768 0.492395750253257 0.856986313529038 1.21089321252619 0.944519205642905 1.03645720251586 2.0288191606051 1.28339693994614 1.41483358755722 0.832812194324402 2.33196685310979 1.81455113601521 0.727325933678106 1.73260651943841 1.80607844913794 1.02841196656338 1.19872662163869 0.44181107522369 0.50381398742686 0.575405541264222 3.11290405499216 1.36844357589478 0.700081868499804 0.448035892618631 1.72608480059155 5.46734565897145 0.454242770395167 1.36778430642796 1.19362177968504 1.74572928124466 1.78158313556784 1.47053924866239 0.867467347592583 0.508776923776234 0.540358125732509 0.468534032085307 0.654154435038908 3.02556570568627 3.21802096513735 0.848054716173752 0.389744164160798 0.86775892393964 1.07705478915992 0.581019859172921 0.381752271333705 0.317982866851078 3.80150082325814 0.400606534047923 0.588332486534237 0.394753675995084 0.427643150328355 0.519481059783648 0.784873467221509 1.70057418748875 2.22824926389249 0.899068545547817 1.33999583751745 2.10970188681817 2.48105797280532 1.02994119242695 0.445389192731904 1.68998666667403 0.451990680728872 2.22972104921569 0.936628136847399 0.610998833755996 1.00556226385769 0.427354873397857 0.827508405225318 1.47717491247645 0.379170009819678 2.21257694316146 0.816292706190055 0.644543295987621 10.5258714771976 0.565756205711471 1.39055500728972 2.03997094303586 4.91293605472894 1.37830900021294 2.3056662215677 5.55487031021698 2.72779302363997 2.93037509793129 0.960131753222793 1.44837611617728 4.72325736940802 0.45616608471097 7.61534287628956 1.51573201715156 6.89217103082797 2.26480695282522 0.990593286660247 0.959165975630724 2.30078527955634 0.688003840091183 0.680730790382449 0.779320395691815 4-imidazoleacetate 0.389921729104981 2.12134915992128 0.633384364537047 1.66633890527696 0.926787509663429 1.0733812113895 0.312275931757405 0.988676789007869 1.31853105735087 0.640832062163105 0.0766804916513043 1.00749333528792 0.838007966768407 0.819613684107168 0.497094632688275 0.337001402781869 5.26826048133443 1.08119769820229 0.980777324628064 0.985108753626235 0.868846118562958 2.75801298230135 0.685352292785423 0.926614178745665 1.33664967009502 1.25306913275996 1.19265962002728 0.694671595534147 0.385072151299452 0.914847037770006 1.78204466866827 1.06944438682113 0.613176561050054 0.639732148413676 3.47496774247082 0.474599414270574 1.2161939019786 1.42851229059113 0.825054246584436 2.01467504371304 0.953696212673348 1.10314342073176 0.826775570113509 1.89500940642919 0.849315965206584 2.3693829373229 1.87667873990267 2.26207358174051 1.68481708747818 0.781184006903734 0.820030415888176 2.3888817435984 0.96946840421692 0.78262505065089 1.23181396798265 1.37359312687593 0.645300865133333 1.96190223306462 2.49738782009173 0.507105415162122 0.691723125986223 3.12818420651088 2.84760478338015 0.631108013281943 0.371988432927158 1.1961308482474 0.83264853791222 3.55621292228091 0.285804243933764 0.602569262066667 3.48951002207664 0.907382744630545 3.77616340311286 0.992506664712084 1.9694660992845 0.903579606142368 15.1154748091631 0.503561351077625 3.80167070721319 1.47737777980612 3.22852621238293 0.933129761702257 4.86635955747142 1.2975552503825 1.45402604850223 1.91615116853159 0.752790927417217 0.710321164673131 1.47533284376569 1.69895093305969 0.894576540121267 1.52055192989686 3.07414368303307 0.709518126219021 1.32867552590491 0.813266822203506 1-methyl-4-imidazoleacetate 1.35832219652176 0.346375400917813 2.97167209712701 0.519748091392827 1.92540540412486 5.92919552292772 1.03493039110271 1.75450720312093 0.224667309655283 1.04552300174803 3.03451996023618 1.00611198484782 0.370307962329198 0.263035547873385 2.58740551724506 0.496307750895115 2.33815831437879 2.78674485976797 2.76869964189463 0.294988094247483 2.98897391987241 1.12100449549133 0.423914734616172 0.679897267910377 1.97127641334356 1.17301710217448 1.65928238561609 0.23156124525791 1.75952642318976 1.44469621749164 0.92760414090986 0.211037510597615 0.387781301350128 0.629172632375059 2.12324504529102 0.463796414445153 1.84414127705594 1.28421834092946 0.763160483502959 2.41135347721709 1.39158788476783 0.234839717270581 1.49558443312124 0.456385975583213 0.507780033930136 0.355616965541871 0.443442656204332 4.51425264122331 1.45137960739001 6.98261271524301 0.382136425917081 2.69316999803668 0.678259571760106 0.247744836374006 0.377431395710731 2.5597282035595 0.351477299412278 0.785020576326668 0.741029672137992 2.11425364805228 1.33259256385739 2.23967077877332 0.581404579709613 0.63918258517551 3.78750679239394 0.733708011900718 2.61970115539546 0.403536694029711 1.94943657554963 0.518228016555822 4.591500586774 0.674588199549947 0.318052472964421 0.37032993489074 0.499089086299753 3.34970433282923 2.93689421099996 1.43989044516351 1.12661738929842 0.28221321143201 0.896011624728786 0.486276713911622 0.215601821649725 1.55801019799292 0.360504527917146 0.419352496447226 0.781284530161783 1.46807733275609 0.29143505405339 0.212925670259368 0.287431013707976 2.77023404923808 1.15025311384067 0.305863564606882 0.692930550418589 0.356394652079887 1.83964999071645 0.354143145612047 0.638991169221594 0.815211823488668 1.43067067542529 1.87427400968747 3.9788689697978 2.3081372805372 0.657915289556607 1.40575213233049 0.72707899076649 0.427127525845152 0.519307100305928 0.952228097694391 1.37589023669068 1.28290632433692 4.83078616463016 0.540874738927769 0.536998210509577 7.05205128076048 1.24974054905937 0.894528743338272 0.269128343745623 0.356770673085892 0.226928351385678 0.463998313265357 2.24903369590034 0.453719359455412 0.674888116131206 0.41337270232006 0.447005823913313 0.441475312405702 0.488836902295244 1.91613689201967 0.993888015152184 0.355658719331323 0.404824842853247 1.00792836352685 0.444990389225272 0.297971565373257 3.51132774385324 13.9780155341864 1.13561482751095 0.78464887876269 2.86482468294512 0.354942330909738 0.803420020320178 0.71108047850435 1.04034422890079 0.333880179653823 1.5725054553843 1.4302215112562 1.77840701297832 1.43318377974847 5.94880748512188 0.304799820192192 0.896413408711262 0.659031092951338 0.279868188320843 2.42724899679858 2.79583155040704 0.385224962606668 0.731935282218601 0.483450071203537 0.399222787263851 2.04733262875048 0.906252970515606 1.83789917437064 1.73742380303583 2.68108479306259 1.24393132360401 0.51362414304789 5.17999028113922 1.51729296857302 0.351786395904694 1.16229620967391 0.429263424657656 0.23366587314725 1.37581365846407 1.47160917031667 4.3139054629059 1.65877577297073 1.08838223017946 2.01973479532796 0.548231934305002 2.55515654857846 0.334647975577883 2.13681242095282 0.899770472608478 0.309448527201706 1.06877488755349 2.07795699004335 1.1002763153258 0.19783371864283 0.460956682960516 1.84199400699865 0.244286852679305 0.788749574688794 2.17642231618635 0.293312375497455 0.790653488262595 1.22049601725113 3.25125926171601 2.11107206852123 4.80641965993463 0.45564986515895 1.55070654222656 4.48086257998738 5.44664982103615 1.34109191785816 1.32223975618156 2.76295301751083 6.61300319608971 0.317244640782673 0.789513343296992 1.89882654084068 3.66855000934278 0.350174166604727 0.347956833096482 0.636423459233347 1.1708935222105 6.98784064503386 2.01065408643745 0.489713850324214 0.60135169749883 0.875154037428571 1.21476852261767 1.53775410216175 0.617774440106854 0.667268316069671 0.53370386613439 0.46094406798583 2.26653386395194 4.28422414500232 1.30345973083908 1.84217114967134 0.381290867261742 0.921739302960462 1.17238392520564 0.407365723810824 0.359449963413612 0.250339671519089 2.71744381524215 1.38027094951967 1.84853691464371 0.520660870687922 0.624628694803193 0.658734374532676 1.603191470145 1.31608708359849 0.652385251850863 0.244449544395087 0.715817549561896 2.80885008583217 0.985688163156042 5.11249507320091 0.826341133197846 2.87223624708649 0.783814572901672 3.17550823393612 1.37054184277537 4.82212198680521 1.00941035653887 0.508686594575739 0.544740547578739 3.42367966966534 0.200515259529414 0.509345771421989 7.28042851825277 2.37556882134975 1.08962317649208 0.150449090137548 1.36594815600756 3.75208974754948 1.39188075354633 0.553668218466487 0.777943930879415 6.99518226417475 3.82677016078762 6.80072254784585 2.43271749948696 1.23137172451146 3.34048740590221 0.463520247182434 0.804199009813325 2.91835416630268 0.664017443015702 2.45176243929784 1.52711926392511 0.480343944619669 0.643186092493824 0.274865669767799 0.153434515696019 1.95417577871558 N-acetylarginine 1.56694609348611 3.93640326584868 1.54564951128508 0.962217158380377 1.4909120947931 0.946843883848519 0.661131099530276 0.329676423028424 0.603394194023429 1.41082342594615 2.12345240975416 0.992844736821639 0.85780509290954 0.636402446086445 0.633825870308989 0.313055007938031 0.718586343139441 1.00787623355825 1.46410334721534 1.02598793436101 1.53576443984911 0.512266060350896 0.532085809348106 1.15132705843875 2.80013544994542 0.653086499419756 0.376666035379677 1.28624899290107 2.01911517386211 1.29133277995879 1.41523584874924 1.72873731181465 1.18644315043457 0.694585806720663 1.51568194654436 1.50017751005417 0.759236881229274 1.46824041398414 0.774308735491522 5.2363204278234 1.06331486205819 0.413407358564214 1.41584541554273 1.09610114773019 2.40203410337034 1.05430294250503 2.11397427670171 0.925398903662593 0.698919616426942 0.678871595175342 0.497694891641095 0.850656345790006 1.48801686271946 0.685238835626531 0.80162237253065 1.68883927342161 0.708963175229223 1.47588396118363 1.38088697013144 3.20936538421521 0.403098112718149 0.88287972805754 5.8606063676188 2.1581069125505 0.492485407706648 1.660226628526 1.79680574388484 0.968499900262261 0.45631035105372 0.703290420531723 2.10626977282286 0.965982599600587 1.01419512905685 2.18498964892526 1.0523077673313 1.35684859853237 1.29995373598233 2.81340592923518 1.38113289880329 0.922882864173595 1.30380956124433 2.42675771212346 0.317779781173929 1.71574008660473 0.79745755996298 2.65222385730924 0.316788499450444 1.01384452305287 0.908632033323545 2.54206546873479 0.596063417647631 1.44702580800706 2.52294062588216 0.564937675999274 0.504170172551544 0.955825535257448 1.29527520574456 2.3356207502422 0.358321017631825 1.6576420653216 1.60748312603508 0.757157207486237 4.18938105218375 1.22556935114978 2.52758342289411 0.57477440248266 0.861250196269998 1.81819018778231 1.23077631273887 1.18435380770102 0.139659739815873 0.774939742220509 0.48476324741034 0.52788904707264 0.457167107691745 0.842240960912685 3.18766312480334 1.30149909290155 0.40060225199197 0.36609152288072 0.543897532242405 5.09854614115843 3.08318043366263 1.58600619614136 0.736721165441262 0.581295926391236 0.971406903280878 0.400118802466097 1.18943759475874 0.939892300057362 1.46145866811337 0.811367453799566 0.796885407958882 0.461941907443799 0.660378599833483 0.544459594865093 0.516799135340013 1.64091345055373 1.89156143056498 0.920535401432314 0.691816691914643 0.678132127596203 0.280984227564316 0.622117563574138 1.47678822199246 0.764941165243679 1.559663241672 0.818332910490161 1.33910431936928 0.855306289447117 0.91406726716703 0.767141911563629 1.38649414384978 0.761734423519021 0.418173750498426 2.45253986514281 2.65321261668737 1.0606130097949 0.655041737458741 1.88857034936795 1.76430952792835 1.22896821151211 0.895701650265466 0.747120374938229 0.962980588240364 1.05140855121318 0.78966981868751 1.36501216926535 0.562488478662114 0.777119889386749 1.60806032272988 1.22821865455156 0.854452895936228 0.387720213886478 1.02770018646438 0.985074231572743 0.356817279410915 1.16227067414094 0.687677943582281 1.04979256862408 1.49895165021292 3.05536527028927 0.884440219048878 2.19832192567615 0.864351419880748 0.688795342573385 2.00443764625662 0.682663941412644 0.790436611674633 0.271690225722584 0.63533381243882 2.64405019719486 0.621948566435529 0.312680439653203 2.20243082625518 0.592205490431168 1.32606967936997 2.56338307048043 0.814677611683672 0.435405152773203 1.11084299514217 0.404786822931566 0.730226126158886 6.81579501067478 1.3188221403908 2.25457443094312 0.721871277570023 2.78518845177812 2.64757391365213 0.762978360168636 1.04839729125333 1.8796483934657 0.779355948541633 0.657793195847295 0.567313725321215 2.20878167146158 1.46522032581555 1.59939732761714 1.05172006086419 1.6441298612689 0.569659506498928 0.510014026342114 0.572658575122907 1.43965004980581 1.99812421583961 1.53074371142519 0.535041998101094 0.691380326168681 1.16364156883995 1.71389751332482 0.637983115840602 1.59189124823935 0.993976429103073 2.39271529846597 1.74015554883397 0.811990052710712 0.693212810067185 0.217944511344984 5.18631282925803 0.360968219079146 2.05635466025374 0.399778706234418 0.734751213721054 1.83811335293896 0.870017027933083 3.03855383851567 1.12432240870529 1.30661903357599 1.60971582206283 1.88020120748876 0.877906503804432 1.2789695042141 1.96688833177754 3.16797453776445 0.849516666081623 0.56409731460604 0.870658964825264 1.82320292877927 3.49223464453953 0.435572888739136 2.14912315918711 0.574925743203803 3.17437667065968 0.961534863962558 1.00602357089693 1.19070633447098 0.365073336140143 0.66119499894587 1.53684736678706 0.991337635473592 1.25192239500054 0.633967121648723 3.9006549059512 0.832756521996848 1.44573100405951 1.51644663757702 0.451548163028429 0.489641463321841 1.54149436770793 0.560880903890865 3.62531568728551 2.00506192673133 0.861974109386131 0.678481052036615 2.62513428861558 0.763031329421036 0.563834570298501 0.868813028418214 N-acetylhistidine 0.85028577002095 0.389426695205784 4.96450037464824 0.339582981175011 2.26276459402638 1.31232603034465 1.25771045911251 0.777200226648752 0.934631838363566 2.29602459577046 0.4572386461746 0.256536299549968 1.84818087925995 0.265051746092231 1.89160287865406 2.72584138802936 1.31431313318755 0.787107637079306 1.49737043638977 0.95030465741694 0.230822990383133 0.22594202437342 1.51029156435994 0.68714413066937 2.00347247048379 0.65507440683451 1.04120056058783 0.900700652131775 0.427734632499629 0.328476200434534 0.333165399447761 0.883227537740696 0.371436967138824 2.37574345874096 0.755427233310589 0.729500666018351 2.12213573879682 1.61148171828188 1.19217408806321 0.148759114615084 0.370785620616275 0.293158836387622 0.260413795155652 6.30596672264004 0.707009373025244 3.48466669945442 2.25840933409324 0.306924731040588 0.089507245610127 0.330269056535308 2.16175876786398 0.510143192912226 0.229245045571526 0.37006649437945 1.63708509205849 0.688393922474059 1.71189984472659 1.11200639113111 0.350345903852822 0.71430478471055 2.06884269857493 1.03027066836998 0.244205351043126 6.26814481549246 0.527754346477501 0.53528698716277 1.23698722476373 0.744746968820918 3.0574205768467 2.12552224476495 1.8017236711973 0.841808346245231 0.618157606847074 1.00644692538404 0.106361250172032 4.52579534741856 0.811915839085999 0.687128425613623 0.764797365518228 2.5792198141596 2.14620167027401 0.371965152961044 0.655999351959805 2.04335339309796 0.794298899447554 0.241333805587115 0.396084812260524 0.773825292826964 1.43911211880627 6.07971390347921 1.00800172590297 1.20932566210242 1.27957354987574 1.2077617691828 1.10052599538023 0.501383078133066 4.44130214750106 1.28721033987807 0.285486503364395 0.28689251914467 2.07345419889131 2.728729465123 0.302893491204962 0.65903208088269 0.504942339714408 0.130490828454089 1.30549102476729 1.41110917782793 0.703268263429993 1.14015150419304 0.353429880852355 0.254293782905708 0.461232689825562 1.72414978820906 1.84500432508969 0.230886637188002 0.204800539592652 0.289817792422972 0.729054311802391 0.923330810880959 1.41635053353794 0.36680810860294 0.539617449639466 0.749026183220966 1.03852739478336 0.270707219324823 0.306367614852519 1.09217586521425 1.27360066920069 2.45687577672866 0.810804086455505 1.43877569998053 0.954904585586974 1.06689485837139 1.23084158847547 0.578484982867024 0.158938470484621 1.04731230701896 7.77115254031343 0.53127062580101 0.68613983368346 0.273833352000308 0.488894252486875 0.490990464138125 1.36482389879662 1.16615659676402 1.39325252944388 1.95412966507316 0.521218563541209 0.425598744918071 1.44092067996279 0.866163581380913 0.549910873808637 1.84072180436212 5.50389795350725 4.14720183435051 1.25442727587956 2.11930965534429 0.575931671435355 1.75618644876866 0.337002392541256 2.9673562150485 0.532775831407053 0.255365033024013 1.83936125058532 1.37103648821728 1.05555002204907 0.0906107324218064 0.510602772438288 6.84892190991663 0.301165108490938 18.4327759553943 0.434904403738961 0.703628653130286 0.44167989542086 1.11214856321471 0.530804433619896 3.32023063287655 0.427930532405523 1.62894987318168 4.44320576557394 1.16924057376355 2.13681831275627 1.22440664852871 9.74332235494831 2.8329936770619 0.657145821029318 0.777388687317713 2.6310894803817 3.66292817458071 0.101652213193652 0.969506154522043 0.438481850121693 1.77863393292205 4.86626690411609 2.75708287681905 0.745924848001924 1.42733002066868 1.25379246099463 1.12001348981631 0.302080961215538 0.620629913254365 0.850961913999941 0.41312727749139 2.6433600884112 2.35063355434755 0.652597967517812 1.17226338370386 0.411118683519569 0.943858971905722 0.16453938931304 0.525345686875078 0.785223030389696 4.47544163236696 1.50586025889371 1.71833891758276 0.27601883449475 1.75550947820779 11.0329281291187 0.594215662652096 1.02555749848219 0.65563234960446 0.329348244319419 4.20574614926498 5.90300309596244 3.16814287302504 1.75201716975884 4.62012735147047 4.47329499922095 1.87577218246134 3.91128627299602 0.676222504270329 0.99355307461596 0.450374710231389 0.826571962425241 1.19879666209705 0.859975789416694 2.80557264972808 0.981912321980093 1.49642152038992 3.72886213151496 3.66634526407845 1.23009353187279 0.395333449330324 0.551520228731738 6.99180154760926 6.82224232653043 0.533390808326821 2.25699505249415 2.14363182720471 1.28664495787119 0.208291194877837 0.513519779897777 0.952981129548938 2.28498063525297 2.42938283677116 1.83020933599438 1.31448092930948 1.4801725737652 1.84303953995759 gamma-glutamylglycine 0.898361082610543 0.78672885141177 2.14842832744743 1.07182932181232 1.62793031415813 0.51702402549525 1.33282121274642 0.907368757689061 0.751567750420585 1.14208700588389 0.887946081592878 1.26360208137565 0.843083157785049 0.967462085864056 5.69321965494058 0.615190811721187 0.794477730993267 1.14735658747596 0.802484450139143 0.587160564424963 2.13447342825202 0.809110068252059 0.696363162500891 3.313019551944 1.00088839770697 2.10559794990857 0.375453394976561 0.529351123876477 1.81812076035518 0.494899719904077 0.731607811865772 0.837040521657479 0.766043202399881 1.12278129751089 0.680030615837383 1.10814222996644 0.42381397861765 1.93741762652531 1.30131094360694 1.53377013660855 1.42621970762247 0.411424683113783 0.722961947661121 0.755893931626332 1.23182051210047 0.672828281867148 1.41222512294956 0.974263619719366 1.4437098634193 1.45633193397543 0.443974433269334 1.11164081811496 1.31888163075286 1.0508586800146 0.505669105273504 0.458392329702306 0.829605412634974 0.988600056487984 0.902988502119228 1.30822155450568 0.924038282793143 3.16703547858481 1.60028415730209 1.57802594223419 0.632680967518017 0.368137574465389 0.939057727516726 1.0058054515778 1.80093950146221 0.665726205945349 0.575935840418893 0.693146550113591 1.07932755627273 2.16903808668654 0.642747154075501 2.5829074880462 0.862160268524473 1.14730483390003 1.12503687152186 0.784188516693777 1.66036936271853 1.26326672748679 0.564636619112944 0.336159202354393 0.519036380907247 0.726997334110643 0.441507203378325 1.76454536572256 0.531510617257706 0.823804370554676 0.749076616411546 1.31125343215559 1.621102091239 0.939883463943423 2.00874797888361 1.03396357430154 1.59187176438616 0.578394019236085 0.932289613010895 1.33381520631459 1.02927047648798 0.495715012784062 10.1762510962823 1.23128974784869 1.12377714770958 0.370485283766249 0.960028833472078 0.999111602293032 0.887891078913528 1.12975851502977 1.03202548411061 1.84090463394092 0.452767667522032 2.17689813202082 0.704856550923546 2.91516033977267 1.20978950219326 1.12257497944362 0.452640024173329 0.419856570650245 0.686977895189029 1.44203587892077 1.2466264443135 1.82240145411303 1.17700419203965 0.396107481269499 0.75353740333047 0.519905516072502 1.23890750289925 1.43014601702855 0.509996678952146 0.352962404856389 0.91661361731735 0.85470450448736 1.20202576956755 1.02819432701901 1.16095872687132 1.36854208784137 1.35631130216871 0.858301958211424 1.38948905759987 0.52925875650778 0.565436362712268 0.842292697338358 0.772797160097947 0.748550493736077 0.322334963532295 1.86915025037823 2.47352734967617 2.70435874186361 1.17751128425222 0.71443444365254 0.725664273392558 1.16640468836341 0.789909955740249 2.08923337636848 3.65069190817755 0.899906727523921 0.878872728209482 1.19835289022835 0.748668157695699 0.710618835841602 0.614252517068817 1.84178258810118 0.786270495750521 2.57009047128477 0.724380181304612 0.928679859109593 0.892716461652109 0.651424116841472 0.338701161624097 0.727547360904142 0.758954122891767 1.16798491302034 0.870917298481903 0.592898248988543 8.64902558227995 0.456962027960392 1.06164245427061 0.695875332830032 0.763490567504649 1.11994738309088 0.795775747810162 1.08098784812113 1.29650714419823 0.797981889033371 1.46162077810921 2.71394847061221 0.766355348407162 0.656926937643439 2.08812821704753 0.832425866483665 1.86813954713532 1.15854441095031 1.26059225121325 0.830446930421146 1.14303667239824 1.04339525737657 1.73946924967294 0.56006304188953 1.3845186256014 0.957549535482646 0.766598567006144 2.48132334125728 1.1184119496454 0.721499619042624 3.10451855133618 7.08823265251466 1.71198206680574 1.69781203054807 0.693046292065156 2.08816349302754 4.81270612950323 1.09317825207983 0.908735005677808 0.73560281660134 1.99777227544692 11.6358196014232 0.997988804982082 0.700881737044954 1.30383665735953 0.305982458090627 0.812708218212571 2.19186118159216 1.07702626273504 1.50614672347647 0.832181487490604 0.691358382837679 1.06305488594371 4.17264087822337 1.71499607438683 0.76136170852711 0.608181567325716 0.948234355973163 0.652795238485352 1.51205196894507 0.831080969745974 0.8361138309459 4.19492067662115 0.552728422994276 1.82493552270299 0.689108842875911 0.922015251755618 1.02401110636381 1.64968770314149 0.6928782670025 1.68400357308545 1.1896102491575 1.63129290412058 0.805551139611421 2.5238114025428 3.48690042728031 0.437566737164475 1.03359317651149 0.9292094629673 0.720227827131917 1.8280128878008 0.629830575502085 1.35722383607252 1.22417142640978 1.27286318652105 0.899042233934982 0.404668404627559 0.710821208569 3.95560285837553 0.70777795905712 6.49072972774138 0.547874494561349 1.40331097563381 1.93895793362592 12.6519857475758 0.96911796821495 2.16170161116076 11.710774560727 0.388393645589191 1.59008174047972 0.970685892694646 1.38320645197674 1.78373108934779 0.567619992290342 1.72143347658011 1.08873742393907 1.64889329735493 1.47176726393697 1.36476222016807 2.64034235338595 1.54516126112557 0.430552387035056 0.891607356991293 0.795835624144645 gamma-glutamyltryptophan 1.28717280653596 2.16962044162394 2.14862608986945 0.685021448444639 1.65843468227456 0.940266314310439 1.66146072747913 1.28362939320908 0.753239599132757 0.811999962779272 1.0857305033173 0.922430141345716 0.713750267523984 0.693314226692845 1.46434347288005 0.590698540016935 1.3270901765193 1.31739603785348 0.842982496952553 0.732265718778788 2.88880307443215 0.78443056938409 0.501646086705686 0.591141466682796 1.84086835958946 0.647017223891985 0.467397433630789 2.69223296453795 0.756005099239767 0.997070728688807 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1.15496545605757 0.234145172291623 0.647969369714451 1.55833556400202 0.744551288393168 1.18707140516696 0.830986993428207 0.638955601541968 1.49380707882953 3.64358033462395 0.462932757503478 1.95062114634095 1.19438849624557 0.503915336883239 1.35334800036885 1.15104545250343 0.990124702157508 0.208863016035801 1.71693841002416 5.23429711909606 3.15637043510919 0.976359391899182 0.637306213379856 0.795474250118876 0.795669379184682 1.21425731425997 4.08796338642014 3.09183174548301 0.95113796458731 1.12439067278088 1.62734455101462 1.04278018100959 0.784433777886625 0.732051081504092 2.8341894496651 0.119982722117668 3.34570187788081 0.991740988067385 1.33450435661728 1.23273235323289 0.713080753193216 0.592178136908177 0.307096065100432 1.1751633054814 1.38723773776222 0.692991917201561 0.804618187298268 1.48541229788493 0.250074573400947 0.953192046449678 0.659323691120147 1.34868904503362 1.6836970287742 0.819898983375078 1.32891156932427 1.4345898873615 1.24599988526212 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0.932030000596089 0.273711323720489 0.781242521659886 1.57137660693701 0.732172041613762 0.186480915742697 2.24889782566736 2.44593960431857 1.13192952406055 0.272812087349626 1.21839683801313 0.644021739468599 1.15957239356786 1.42648556001357 1.17027661660636 1.11553992697842 2.48801953580438 0.850299544271587 1.32117037119447 0.399768931346053 0.355316588820374 1.96802148211726 0.70625895145256 1.26049916951925 0.885804820907482 1.0138990881574 0.835354997388531 0.543163159134598 0.963375095682309 1.55871785768197 7.6832574905979 0.864222401339422 0.76500051582269 3.46623688494366 0.331031233468318 1.04628155307305 0.534724324816721 0.739752457375561 0.693672380040736 1.22204580132153 1.31574807294492 1.34649334526508 0.958460282337323 1.85895279656165 0.866662510218454 1.5074432156374 0.850954371531964 gamma-glutamylthreonine 0.834171765982815 1.24744099688354 1.46188715610529 1.9349863117921 3.82023694013224 0.759240936391487 1.37774234259245 1.00422031233867 1.1936493370832 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1.46328025121298 1.35047533216498 0.597385940907878 0.926576685304328 1.52686141279263 1.23103041856901 1.15871642878975 1.1747604990982 3.02171514350452 1.17992853549737 0.724242156945201 2.35513554528209 0.824320495752222 1.83272396818765 1.46340401604339 1.28995319045447 0.311209971023531 1.38389867421199 1.20587014539291 0.433820802657092 1.24270739099407 0.808039608392578 0.943571898591246 1.02724239421811 2.23553039839739 1.66107741957394 1.7129305528869 1.82793041726982 1.88721399896475 1.00023909632984 0.839267093393215 0.446390796455175 0.797023398846639 0.976674090277213 0.477808601222651 10.3333957855682 1.25647400608066 1.45455334913785 0.301343429626018 0.449884702689754 1.42365909467508 0.639298912123096 1.18705675153105 0.918961159496398 0.639094460828659 0.601331144314123 1.51362792098106 0.562041622819044 1.99864747605219 0.982854582250391 1.63131528281403 0.503540289555001 0.573049171106132 0.635313593412702 1.44844693372063 1.24577963067936 0.894704392375084 0.791235626583956 0.511690534132996 0.710747687728797 0.428383583449975 1.46439481847027 1.14662964206436 0.331723478826527 0.443827519691258 1.1188723588004 0.618423454871309 0.924843977678568 0.880612980081612 0.509520660863167 1.05868891789651 1.91649247279624 0.390464364276137 0.720411829182653 0.526232331886675 0.352824128808418 0.823425878884147 0.663698817943302 1.61350408777229 0.289169574456398 2.10994670362745 2.71534408104386 2.06987584541294 0.624596197297095 0.721432034304055 0.624690559432989 1.57539226955296 0.851094270280964 2.65234709858085 4.97409212342841 0.921225850757849 0.878537013091949 1.3387131147186 0.72642069147388 0.61295660504181 0.58671640964381 1.54751144938645 0.75386069915049 3.53050438385058 0.860012403834385 0.897725120363007 0.615677152032216 0.625742902383282 0.499030052972715 0.62122468832574 0.728638201667383 0.879374875921769 1.58056281315864 0.580962142777205 4.5938785869293 0.44944571362277 0.641195955739144 0.504605396465705 0.64377495952571 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3.04379930222164 0.337788867228144 0.999760903670163 0.442524911945768 0.256636974503761 0.84848426830483 1.58766253820926 0.539146724687984 1.56768602845497 1.30522891593177 0.319456401160335 1.03385640498952 4.00820585897693 2.35861007764819 0.203320772228722 1.11408792499714 0.898601047146195 0.764527039424455 2.82379557788033 0.730553251584726 2.78977825581849 2.12056928175143 2.71486862351855 0.852297273549678 0.52992043266179 1.03974856821414 3.41054982354964 1.71807716406681 2.67997651431284 0.615062202653855 1.52124116751034 1.28374967776698 0.952534933933969 1.09947615338907 3.34956453241852 7.70032203927972 0.826733112197719 1.29983842193687 1.04283197636479 1.43856990764135 0.96807346023901 0.598761485570001 1.06797583873465 0.992237916575211 1.09536980498264 0.770281990074653 0.925820648577855 2.32724857106324 1.88891137777152 0.592794334077974 0.597617743546052 1.27884808904139 N-acetylproline 1.13659446729592 0.563723494759265 2.31696044109859 0.672761250605935 0.417360115742072 2.28036828924165 0.785184028848876 0.703714188188423 0.781734771693983 0.421763184370936 1.7077490273289 0.481424577563098 0.452880443428971 1.29302253669037 0.812583141064758 2.28133181062099 2.77485567719494 1.00665726050705 0.239592662000435 1.45606603930719 0.518264705464959 0.514586892075896 0.494871302673436 1.05499018179184 1.17293714927635 2.03627471264282 0.607396408380694 5.33813102247544 1.20926414602503 0.390300103298455 0.690308543446972 0.747096551564453 2.03600208837657 0.901314497112797 0.539715380266037 0.37861535255546 1.65254746836625 0.709957657343415 1.45461403499599 0.724327570380008 0.314970657412878 1.11337733663271 0.119050162118074 0.418849465843167 0.31130180701339 2.80589824467318 0.392044151686648 3.25926493028661 0.31868506967604 0.949606338028695 1.0324004603989 0.557329148613089 0.283868336670802 0.722903948869132 0.955063304848455 1.34230553487014 1.80491978497788 1.68589576491273 1.82790462482793 0.726108217642301 1.20034373065021 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0.0693675639864091 0.473904629309424 0.418312433384447 0.768861677916464 0.851720781961087 1.67289270778637 0.472604248905208 0.632281402020706 0.531827202523978 0.73948174500444 0.271147613716063 2.69755960201339 2.86226797994382 1.3402866214683 0.461492382579235 1.93819645229934 0.478067191051351 1.22499045815068 0.836487434262073 0.134197614500325 1.05514255261462 0.868048361304085 3.42789461615624 1.90908615599038 0.0991777203980464 0.588961032655906 0.367252522521379 0.376848149777531 2.72598049504085 3.1299962131369 0.581567313172084 0.718544948272346 0.525747307928735 1.74075150186094 0.524864453455569 1.19248169496108 2.14408677966507 1.53348012718482 1.96086011835628 0.576843070750105 2.7526289568798 0.578303291135081 1.87702180770055 1.27326810766642 0.711579958456543 0.706854969118766 0.312891990747207 2.70550678610348 4.0448821702983 0.780478459321845 2.0702041096801 0.993904420173001 2.65687285775213 0.580985465765488 3.62456576182797 0.527568288644116 0.432019085192469 0.293250346008743 0.983424444612086 1.3439890830787 0.371852030005101 0.624495551742965 2.91340631696567 0.614321064743408 2.23069838867855 0.573611913008211 0.536901001539393 0.636830119230169 2.09183777885168 2.27036633979142 2.60225912152245 0.853385657274698 2.21379493725534 3.05790016574062 2.82956501864675 1.42685939086029 4.95655116111795 6.89988340644394 2.16155265868413 0.564562281200353 0.448205497449656 2.1814445202149 2.83000121747275 1.17899911789244 4.48080164978761 1.89317087416784 0.0724792152006328 0.8030622053884 0.498540153072924 0.754893605579162 1.78493530588816 0.645481644917724 3.96273413009331 5.85537170638142 0.781186535498294 0.890543224390685 0.372336031442167 1.50006236746913 0.720440620567522 1.006095579827 0.682585434096258 0.715873977378908 1.82081639390547 0.080270293888959 2.64887413647197 0.539089464827362 1.42692437253471 1.16767288673246 1.34743087107561 0.4046513434401 0.829765938996399 0.557797464818399 1.35017055822246 1.82149982186058 2.72513573327338 0.957531861560651 0.519706252954986 5.63971321421022 0.823655420853441 2.12878098113365 1.2920679783006 1.28034438793612 0.704647086020052 1.22034389497169 1.54050711101185 0.896753082334769 0.434274770902252 0.770362231754528 0.968713191055833 1.44813976885944 1.43981464537558 0.629750851297281 3.44286355566278 2.83322490605667 1.47046956355469 0.252237946459582 1.44173720663948 2.05865305686494 1.07607561476772 2.03654658999327 3.42916810759173 0.42747634330939 3.19084072095301 3.77373082200324 0.32495094630497 2.52312413964637 0.807846201074214 0.437175044945658 0.356600756326937 1.02171657682515 metoprolol acid metabolite* 0.680622250007028 0.366251237939959 0.127009467924015 0.00708918864525772 0.0161097626414162 3.4975728167416 1.3073404086738 0.0109780179676366 0.00560334973305773 0.597533436506399 1.19956829759218 0.0527164028506016 0.00617508457546091 3.22592569051613 0.110820285572629 0.18751895313752 0.391434997859337 0.00534189283351863 0.494132581286104 0.405610949645789 0.770732711193614 27.1290182828277 8.63693637193849 7.65002426747912 0.02456351499571 0.121783999285534 0.0109229154907118 17.268084433911 0.785785638179971 0.49054843258952 0.00951910836978016 0.00302827291920982 0.467617219635985 4.93249175390811 8.66523814842742 1.04682423155678 0.256884264648117 0.024703261345202 0.00720586160994263 0.0293657020789431 9.12494088611251 0.900885072651932 0.472250243358908 1.88243364131845 17.4452923826983 0.0279691714702013 4.10787821133628 0.243768506906965 1 1.29109842496473 0.259953087019872 3.65629830018188 0.0466634019796591 16.5039495913088 3.08977623916515 20.069352997413 11.5059118862884 18.2481038155542 10.9437273106533 1.62071827011558 20.4896987598584 68.613195973514 4.51617021366576 19.6906150779781 0.305984551902429 5.6696086579798 46.0978786665848 20.6870539404739 1.66594191776024 11.315301597126 10.8449780746871 0.661539379115738 0.763176146573086 14.0442230339299 11.9805902457919 46.9508201686509 1.31767206090478 5.57679357318542 0.353186975515843 1.82626437795274 0.250296409035015 0.199422829540799 10.3507824924878 isovalerylcarnitine (C5) 0.83218903630066 1.20112060573544 1.10416479325705 0.66109475251513 1.44933217431725 1.68332862927304 0.480132134807169 0.515089773788681 0.354259796498932 0.650692107083054 0.642704726705497 1.33397493631078 1.52907347313009 0.207434038043811 0.89738737899618 0.35083397993207 0.934242668757241 1.32240086922183 0.766207398833031 1.063902865279 1.27477968535302 0.562961617349138 0.275594295822292 1.37012444938522 1.45634836573972 0.202417223123806 0.274389613810397 4.87333839883176 1.10805156079245 1.34817080452977 0.499029984545335 0.479994466442548 1.01302277013293 3.16228096027741 1.2272902688181 0.756285754462537 3.37370516800872 1.05565919240773 2.23339220282057 1.22865877148989 0.694129393107824 0.465593939748733 0.738216261912957 1.43642266374002 1.51047516775859 1.75516804559673 4.39814328091542 2.74282865505652 0.498070463537364 0.215654643249499 0.259075902611267 1.22600759932055 0.659773391032002 0.448648526495863 2.1287427874149 0.391595684978571 2.66571821009131 1.02029739987845 3.00919883516336 1.81582185700207 0.615626506062069 0.728843815743266 0.807738249589325 1.34306138366162 1.80460379641471 0.845319969644562 1.27410348087721 0.18954901976168 0.424239985799974 2.36336743391466 1.01211488314383 0.846237378751421 1.71491128102056 0.760083403022495 3.34482230487689 0.481196332053413 0.530600901288564 0.88253683165211 1.36068990827854 0.398314276692223 1.97966048822044 0.690457744965365 1.39783025805811 1.01579149351668 1.37870045757799 1.36460095050853 0.630309611659203 0.396598753179264 1.47467200495365 0.368947126697611 1.77018194420052 0.614061592947035 0.754746658356942 0.407361562657312 0.387823585199383 1.26548891481319 0.796395060327645 0.206978853991668 0.36599848893379 1.80143749108559 0.462844059429012 6.89586565069694 2.13577681604388 2.41246434486589 3.42392595708516 0.718235170693014 0.909907689773963 2.04302401270224 2.34378519872626 3.42647104481571 0.691343972489395 2.92551651956671 0.379546115515761 0.386738130831082 0.498571179406154 5.71207851804197 3.44064545474114 0.511473179580637 0.602720214228874 0.295268533444326 0.595935302976688 3.85884090747392 1.67133592428817 0.242148661850755 0.933189334772112 0.245846059945487 0.711575857515321 0.609696640751083 0.19402052579659 0.946219883536453 0.631002647484025 0.765847167729892 0.691785745108062 1.11645710966576 0.389098073722516 0.393916868827262 0.59429743166355 1.20872173682892 0.95209221379783 0.251009663004876 0.918389013246406 0.496947054812327 2.41709953744637 1.85287315486337 0.66303941036901 1.43313746605315 1.13828797284775 1 1.48537017132235 1.22612072476191 0.442365672255815 0.736389959959495 0.594880627848211 0.741814281285639 1.24051776448302 7.16260115825163 0.228620615961658 0.934717232330755 1.72657386357045 2.29923690955242 2.27613082021846 0.828801174090532 0.501059670887446 2.91896114499845 0.912028372692203 4.22011629188081 1.94711623669276 1.71780271902061 2.21256894063556 2.08312158356306 0.955261536699483 1.37794465624451 1.03215726461476 0.976124295556075 0.805318692876095 0.432212948886546 0.790930772929746 0.48868581296321 1.55599632231671 0.896143200312701 2.51322927267986 0.796105105135915 2.77258406605024 1.2700013257202 1.33628485455535 1.70465414964169 0.311128559386062 0.589481989417172 0.560003725696219 0.305262063098246 0.399520501018967 2.04284631120869 0.695680693617881 1.38783102854496 0.460688775012407 0.748298575256482 1.68085180573887 2.37978316260243 0.265254415898879 7.30670110991012 0.795699744559132 1.69322479191993 7.51861295736257 2.6307823646892 7.65500361471661 1.13557852799996 4.3414415507265 2.70990827987704 1.15064580410898 0.587446066758495 1.93409849584738 0.326602134872215 0.397836561431842 1.63703578083277 1.38285055860967 0.802267256474688 1.3127849384774 0.913671608578731 0.480636739991667 1.43639161627153 1.96939598055315 0.434435290470526 5.45962350485149 0.955962284098553 0.921604136193375 0.599611779235198 0.524324082193579 5.19052952966304 1.27204972101201 1.53692184399968 3.44851079107407 1.13103480139578 2.08072589920141 1.98312130862867 0.273778790072776 0.950806526727746 0.543585113550249 2.3352607574952 4.21169914211754 1.39243698420046 0.306020814947096 0.60330763501508 2.57166785056096 5.94781953226419 1.23208116814122 0.302714628366831 0.506662766621812 0.662624997074631 1.36559822470173 2.04012653955712 2.55958401488562 0.668176257618616 0.984861308007719 0.349555065635891 1.18070753224327 0.591374745023503 1.09149990722641 0.889881804366213 1.82862588665501 0.942604697528923 4.08193876218772 0.654394400351004 0.876188462559536 1.46627302768274 1.91383395398095 0.393120162621678 1.10415077830907 1.15917581108494 0.31443032019328 3.08423587251333 0.67065066709476 1.09854660966003 0.595130214625182 1.11928846444384 0.313211355004735 3.68324909947254 1.83132446824169 3.64630683656539 1.22881253357469 1.17962288256097 0.376717443024375 0.822436241877617 1.88359257969526 0.64492954940467 0.631385812138407 0.633732343596366 2.30383173371813 1.07767473102867 3.37465509984175 7-methylxanthine 1.14510068696053 1.48345521772394 1.25286100385329 1.78265559486308 0.149423404599579 0.206513640331515 1.42813282169189 0.265753249529076 0.758265399681589 1.48403650738797 2.81854174199129 0.120243062977042 4.34870987653088 2.79395378847049 0.478135718152418 1.6922680484448 0.578065603832117 0.21586621148956 0.719720501547109 1.13104785951567 3.07456887683251 0.340581809029366 0.4982571297874 0.609089692395892 0.932116953083332 0.418997984462986 0.0937174772428093 0.578754761681226 0.498107312863681 1.19395698456486 0.480289086736009 0.585558447577061 2.43207001044723 0.479264338977769 0.201701520741654 0.244553156043315 0.634490652422739 1.2563227735707 0.499467650531051 0.658495318720524 0.525995233824267 0.525507829432434 1.49185495324713 1 1.4159437167781 0.74711902055688 0.815159874633198 0.420064680959867 2.61225382582484 0.210598648451592 1.80914322697664 0.888406367419014 0.203299567927992 2.40538661755335 12.6624365025938 0.342667260607538 0.441086991696147 2.87203437399498 1.41850258983522 0.295263188383795 5.71888751945123 1.54445267882647 0.228966203299568 0.453563745103484 0.471144261712188 0.27183182151411 0.89849803540074 1.1570121311757 11.1142423957923 4.749795749594 1.45649416413143 1.53521396853046 2.38988955496383 1.83447826755705 0.677220436626443 0.382001194540272 6.25335839604004 3.78468111967176 5.48217078729792 3.60397793895859 5.35415122720036 3.11665344948473 1.89860989870378 5.70803278393803 1.12329333554396 0.129627595078814 0.605080591517166 3.4155462025405 12.0174147192131 0.447119619824574 0.95581000017978 0.292174962196196 1.26065547900466 0.576020103433604 9.35530981141046 11.2159441162899 0.184772208361382 0.345683574671751 1.36406710999159 0.36101883498365 1.29566270018038 0.399244123680862 2.02917834406355 0.511285209474023 1.21872471839412 0.526061153270703 0.138630593414847 1.60985076236839 0.542373219925251 0.740199476240035 1.56177750788536 3.27551532027862 1.43881776469155 0.907828633409973 2.97293507334038 1.63780859789337 1.43479268334096 1.22505897792897 8.76092415068786 10.7495500498391 18.2745425090539 3.48880468068021 2.51808889536986 0.990193982952832 1.35762498227166 0.170497651869416 5.5725703190701 0.567618370351431 0.585622369464514 0.183653575330946 1.52013040065041 0.341604559228623 11.3091961622897 0.246900287848249 2.75777599773077 3.03186106577762 0.684060078583971 0.412316149665109 6.69298716967865 0.461627890717543 2.28922456757842 3.96897391387724 4.87995869048023 0.531748203695085 0.147286016487852 0.143756329765027 0.791624634696401 8.29929625997032 5.64734094935988 4.65644182808608 0.944118287452733 22.0112742228996 2.6926895333902 1.31389042589955 1.24564382324799 3.72662806051006 0.363174201126224 4.44717754903508 2.53793064874723 7.19851940928186 0.451787915167665 0.518514375433221 1.39436009196762 0.843335444087325 2.20664747678337 0.368651507857398 1.04822706652471 0.565049509499392 1.59846867128369 0.222991504381646 0.162345613660107 1.29789197600532 4.94377670486665 1.25436716332642 0.446028952619899 0.249307346422671 0.38208908713552 0.310254868550631 0.554652214993278 0.149958750407003 0.507044391753278 0.383013956944614 1.43484861499248 0.680015021643552 2.69297118920679 5.23928759056433 0.927288853021608 0.427265881093304 0.290267293367505 0.590686181486224 0.296361845824403 1.34977257790979 2.02810565488973 1-methylurate 1.7327750561465 1.0860568498729 10.1184459759619 0.285375379451615 0.258005503590908 7.5250947086552 1.09482279918063 1.34510970162146 0.524908067820035 1.38731829512081 0.463080591821121 0.412979096226462 0.726142365310102 0.264396024087465 1.71215201510403 7.35004103013401 6.24497149485427 0.501792369012068 2.35968928157161 1.56339309953355 0.143232187368889 0.212571571361583 4.7314516029517 1.67883585478418 2.41569232952442 0.42036606283472 0.854378501443767 7.66794898689504 0.725511488437523 0.282540289740616 0.140913830548632 7.84160517288186 0.285278202818431 4.08183198005874 0.440700658950122 0.855743601767072 4.48445482366297 0.293564438905205 0.8532817937264 0.721271193760952 0.254550334411017 0.206700868728251 0.296519842543005 0.173687035711642 2.09879932870999 0.874828784027246 2.77402730817641 0.510384017374565 0.677634258002419 0.467737357782769 0.700134504800217 8.86736160813446 0.207097287692194 0.198942162935907 0.211760223598806 4.58371844073151 2.87704070929687 2.18140563686172 0.515687085071201 0.298140995582319 3.62433673091636 0.102604642266591 11.0104981613564 0.309575446087021 1.48326710925739 0.636485352550655 8.6505235198302 0.700103655075397 0.224234309829956 0.121984439398801 1.01710771489918 1.47407697623337 11.5640733359658 1.55943353735285 0.388236074434216 0.504061366272613 0.123550062933439 0.225412769318098 1.97153958636689 0.211445556405637 0.0990199042424542 4.32446352328537 0.363452947999704 0.135910005182754 0.137017510303808 0.256791566919223 2.95911948715418 2.15340025666971 0.219895296033959 0.304570078234902 0.154381277919001 1.83309064883141 1.17903792048175 0.116604247390113 3.45682581011377 3.37435215577877 1.68974740245317 2.99675152397641 3.57686054690392 3.56704107949357 0.247160282830277 1.25979170265801 0.329860682642711 1.22270107850638 0.837895493472198 1.83808521927984 6.01090229275155 5.79906957229942 0.27361854932254 0.681345479898319 2.56771823095338 1.4006098990597 0.246642007453294 0.360989597472791 0.235300106123053 0.115421160443249 5.47868592512155 5.23272569658679 2.6193637552753 1.58455446827414 0.30316487326933 3.88873583997631 2.09912016584812 0.369038290678447 0.545460154495422 4.80135399442237 0.364301315432266 0.172520916113428 0.9145447197611 0.946592956390829 0.125555295046768 6.71802271773736 4.77191101705373 0.327067240060219 1.92394617340013 3.10102976381451 0.706810385251364 0.267422382092352 0.847033181964017 1.64471143167403 0.420335213109899 6.41287420716207 0.213396801500531 0.498201461042967 0.398277659863274 1 1.12923720970409 0.479611416866162 0.104736358251684 0.665733976652928 2.55861139218638 2.11213566474987 0.358970482983292 0.310118401243861 0.490900873664207 4.04874410770256 1.68122362348528 2.195275673141 1.99301562230065 1.41356524099805 7.59281602458106 0.5990893161233 7.44160455588736 0.307533194303907 0.136496149954342 1.90881129840322 0.600036402675288 0.593352809792937 1.14348052765369 1.34913713319677 0.717010846763247 11.800385313063 1.11793387052987 8.06021249290456 0.889582664922629 6.24865803697031 0.350901737456502 10.2441817418989 0.781064130407957 0.14855839235914 1.05314636343444 3.24747186505096 0.683114711616772 0.124474012191811 3.12517738591772 0.192002517337545 0.561697907154668 2.65058213430736 0.160708556479676 0.446983205409808 0.599323774031936 3.83652422320393 9.33213739233446 3.38527758582394 0.27701201905279 2.8515295293566 0.954728028825983 2.50399349687801 3.63834404847109 0.798480342555344 2.07465941903798 12.6623374219502 0.191737209704089 0.48609448653718 7.59305356746218 1.26853759964461 0.652453170117723 0.49119240356376 0.271821552851749 0.346534958908167 1.61924961129347 3.38494749376836 1.70450591080728 0.481243367309164 3.22828642118512 1.47611768553025 1.12847213652854 0.109146326414768 3.48881697475259 2.25500228287964 0.685561094795034 10.9821734865125 2.9318560428441 0.763112675534934 11.7252384683729 0.217782089883758 3.28296755842938 0.982267578173203 0.698325168439498 1.35349774180014 3.64549809965695 1.49438535008268 3.21852248327945 0.471497939238382 0.834099434833041 0.952863162960586 1.72301883067203 4.27210999777882 0.649747649250969 3.47769410646857 5.97446414027987 1.23084694834522 0.193164009477036 2.14417464646215 13.6856150818135 1.72828642118512 4.53310021224611 0.913031540758656 3.24516893309312 0.672397517214146 0.470786853081271 5.49336268170488 0.131506206964634 0.241274155334534 2.75167514005775 1.56676805942891 10.7073934450505 1.61558003652607 3.0526897875071 0.696784224684716 0.504118438263531 1.57157444655594 6.11239171746588 1.03793590661171 3.05225480638713 0.532540289740616 3.42990325526296 0.364839643130383 0.955923455662776 12.1729450998297 0.535725523828328 6.86240251486957 1.69960234704706 0.881180742367778 0.697442866309633 0.136323391495348 4.04866852587675 N1-methylinosine 0.990717110540472 0.540340219979565 3.4861462727393 0.450903752214702 0.718076197284324 2.83938351256842 1.52640935217869 1.83395995609852 0.198647707114115 0.709912147631072 1.2360556531937 0.83539284849543 0.566313467310804 0.246529746325667 1.58882258279706 0.408805551483487 1.91635703387211 6.09423598197162 3.4766043447968 0.662975121214966 4.07967338530574 2.88834343297915 0.260984950182584 0.288710962357064 4.17943076320819 2.84909344766605 3.02656193122578 0.892977136202742 2.09703851701292 3.11783308104808 0.830074598471135 0.152508989206364 0.433219736338575 0.399090345573149 6.79559206325415 0.348104236909854 3.30494232028862 1.46898033382912 0.909409773294659 3.90250182419534 1.53828734823765 0.440780497553739 0.890125846143879 0.455753119525012 0.621701583055655 0.692048924122808 0.307769781881691 3.73386326962788 0.949672633116846 2.49422895422134 0.412608003619291 1.7188614385695 0.657659067362634 0.304685038743219 0.483474739355566 6.04417226553256 0.452425260150295 0.546871855013119 0.299872786739075 3.28142175780506 1.80094819724479 3.35222063182769 0.337199803881844 0.477511034391504 3.22146736131586 0.141993498232905 4.96110041392351 0.421487126863521 2.15487756066788 0.600422214059783 6.37755336560608 0.714758440300634 0.407490264095169 0.379137244825407 1.19060170170385 2.53268853724516 4.58947166142056 2.20733532416322 0.943701680785307 0.4908442139928 0.541655946602275 0.496904550523211 0.249070278051842 0.628634678323948 0.285552208223456 0.356255329148528 1.90264962656841 1.61166694393338 0.27071025848395 0.249735059304879 0.160876843617732 3.3039024328644 2.60924313874701 0.410935179435485 0.377883011017646 0.363667848756226 1.8305214096569 0.322204780956554 0.204868364197785 0.608795558901058 3.90884217265096 1.71498519505576 8.04390938374866 3.82534920506811 2.17311259608939 1.40826803839567 1.67374921143701 0.550683091836774 0.897470943272329 1.00928288945953 2.46929010388442 1.03467151581436 4.33331148142231 0.523106638972938 0.390654409830944 2.70452559665874 0.906601088971868 0.429887265002737 0.518936108416225 0.350549674390054 0.259751140774074 0.33608788201725 4.71362675288838 0.518427474989719 1.01644043350238 0.321288757631011 0.221737161041447 0.64650558843408 0.28848827052007 1.43692456863065 0.583339510066978 0.274118497752492 0.345834932421044 1.07823785750248 0.584881442401822 0.268557131491953 4.20811101210036 2.07186248010406 0.656140414450592 1.25089123403452 2.45358374086049 0.414778919604184 0.469147572324061 1.17735571012946 1.75027723925811 0.599653553872922 1.38688786510673 0.719519741115249 1.78118462613741 1.44809385999733 2.5059262053278 0.329961001476377 0.757632328968991 0.668018410509561 0.165235366494432 1.56172643274141 4.9998301260987 0.568899459796602 0.366520017283873 0.540444757764978 0.457117601165289 3.50655683610682 0.604576053709582 3.11868761155867 2.64250570043885 1.81586262065906 0.316850513712074 0.657738129553282 7.38807379796645 0.683049889889428 0.257766460171598 0.809767035568652 0.618250079199451 0.190385049339748 1.66538179626003 1.31160221176478 1.98887682824453 3.18380367101124 2.10950003596232 9.73486164940201 0.333430733559869 2.09490647327176 0.623458520625623 5.4116303776702 0.90208971252658 0.400537842513607 1.14714363129347 4.57544075798679 1.02823629272996 0.191634890803585 0.674705095283666 0.900581162005566 0.377704023002705 0.435586111628127 2.29619507717074 0.28414028926879 0.95227926961909 0.525727770210135 4.55281645328111 5.28458007270427 4.94948134653892 0.584839275900142 2.2083073498738 6.49287830846443 2.08895967883181 4.10515578820337 2.040636428673 1.95994116455313 3.25519089950262 0.371531242467817 0.556045924151907 3.50347011641359 2.61103214042763 0.303842367561222 0.477292076046847 0.608861224442735 0.819661449111127 3.33854726518941 4.13891775939948 1.26939134741189 1.50162203770718 1.03983449648091 1.55652545829991 2.12456248136685 0.419813424210929 0.952129271074054 0.434679312224827 0.552966012591752 8.86747540699184 3.69186741051011 0.693608645450548 2.81852954208167 0.290224564073591 0.950548466495475 1.37507070301112 0.279832278347227 0.514770409437829 0.224767878349643 4.26381691392818 1.32458070959414 1.8764699390727 0.346002939576172 0.568780866510629 1.05026104248989 2.01479407319072 2.39805023853173 1.84158242974583 0.223893801908583 3.05620893501582 4.79206918380916 2.35618329470816 2.28991753923324 0.922860448095946 4.8175684972309 1.03929599511571 2.98522140982161 1.9220793795375 2.39629439904774 1.14510756026708 0.262156168690165 0.486219954308642 5.17823527700042 0.173487263026182 0.480270085227944 2.79173865992881 3.22925257130559 6.5094016474584 0.198628380800845 7.71342766989998 3.75374587325562 2.77128571044241 0.794807590629154 0.837924595533755 4.14976267616731 3.41535596378732 0.695416534210045 2.29935163513238 2.10359101568012 5.37332013433984 0.461627220673006 1.11868146227718 6.83883952077332 1.22472274701581 4.84386831533296 1.67384079180784 0.847558323464286 1.42418106120127 0.567761403485654 0.214677127033724 2.94558182360237 beta-guanidinopropanoate 2.00227532043726 0.664068125215377 0.646110476609378 1.42811928410433 1.39360461128647 2.91471713579531 2.9138102287233 0.113792679266177 0.768346888345189 0.0817843577134724 2.25508024850253 2.15568312233721 1.92766235955228 0.244383965460891 1.50179534833868 0.537594297092871 0.456934548577703 0.354313542710575 2.73507345086471 0.166195025006588 0.248343700564054 2.36190312755206 1.8953197097342 0.298189157045704 0.949420631885975 0.983531000755015 3.25063207202164 2.21591108201011 0.73801687247015 0.665403216826597 0.865678065761037 0.538249069559439 3.24474411808563 0.71203312404495 0.954664365244189 2.37111992471505 0.168739696288873 0.558366523188747 5.17091699523305 0.590719169533032 0.894767401661256 0.279553966107889 5.42330040310992 0.874338389631825 3.67025902943172 0.672208074360826 1.14948000014439 0.170835079254404 1.92274073648296 0.273441645694788 4.28800658437859 1.58062351110767 0.160981836589563 0.511947653745879 0.4580508273375 4.13098670434246 1.94352240374248 0.409128938804876 0.705251591738538 0.488389729013612 0.880309092590325 0.686034380830439 0.839136177955938 0.308725495668033 1.68497724818403 0.88739274213322 0.278793674753579 1.64447243471782 1.3612230860887 0.569432122337488 3.9137866258142 0.293251428461943 0.37640031200269 3.91771581597617 4.01917056045247 3.44125694099078 0.701872210517956 0.455849370121661 0.710413686799393 2.23552371106596 1.91296413385238 1.00107268279828 7.88598906324497 0.224711357247801 0.302384365877302 1.47569941667493 0.7871153662991 0.116001911557956 0.431678880477923 0.202338576233648 1.14461502405692 3.3476578000256 0.759354457659297 0.201538854137076 0.419114357760678 0.988569805325983 1.00596820382695 0.986145092358183 0.277720158911445 0.469674010503572 0.341328610530063 3.66764882536652 2.0336388660496 0.771065388110965 0.603242040057747 3.05012674762187 0.625167754205414 0.962275053863227 1.59232000213259 0.209587723821528 1.14042536885099 2.11280357853424 1.27171085825453 1.45024937167668 0.368727978138708 1.21130684864787 5.2148456189252 0.714410075831982 0.14084438990784 1.14542863021767 0.963686785508702 0.941797725290462 0.759160636123392 0.4320670789123 0.786305647676321 5.55040234629577 0.350387129361436 5.08499796320779 0.703706573076967 1.16179849724443 2.07393042029006 0.403996277960075 0.92997960986335 1.10533811722649 7.41784507661366 1.17262029222623 6.36173874023221 0.475988482891084 5.64706097964291 0.35779622136863 4.11675109566092 1.64447410080553 0.690898246192781 1.75561436845141 0.456446940243821 1.24814016018323 0.722231802226504 1.26979541276073 0.947820076967698 0.903471043812275 1.01314793109395 1.97657702837153 2.93368721036107 0.732232771334184 0.998927317201717 0.498369594343743 2.49412995650678 1.43445763708223 1.30283393187534 1.92224535307314 2.13130159491799 3.03934604947003 1.46385686529487 1.20744208054368 1.87195893871324 0.386857789140496 0.360260365078691 3.50269725714759 0.624573516258656 4.01887066466625 1.46557626780249 3.57219643951505 0.978624372475009 0.28114230304969 2.67609949986824 2.57574603936243 0.414642578370683 2.11510222419931 1.17743028741957 0.617636482433466 1.02379534222969 0.970475537528486 5.58999580978943 1.70430108870501 5.482796950282 0.891410790305924 0.445146422729213 0.34628799825394 5.80373375807463 3.72601465435206 1.75247379313466 4.67336600531315 1.44105145684097 2.10217727117604 0.702116014684897 1.53161942891512 0.501445747602708 0.568781237408889 0.378930543858232 0.699850690773845 1.88794060730563 1.85776276077396 2.15155011411312 4.01721846102924 4.71396578577833 3.83083878352273 0.198071170268332 2.11977393411345 0.334267175489851 1.12484300594432 1.08859338046695 1.28232328154855 0.797020257682678 1.15298267185486 0.256416450838889 5.24995452968982 N2,N2-dimethylguanosine 0.91794591362273 0.495149966032663 3.54759495497412 0.445010810907583 0.729074657279382 3.09272745224392 1.57270987949395 2.37636923958298 0.236829040577379 0.76216292765102 1.8552254971254 0.688049061334065 0.396474558159295 0.299375251860539 1.76299836225658 0.421152307993961 2.63082720461523 5.48970157735585 3.32850440053091 0.687891258210828 4.59332666457906 2.9551724422574 0.291533765955456 0.323254337790235 4.32452340937507 2.67374022025328 3.97071122575184 0.809593057691729 1.49746737779558 3.83799386776206 0.836898786984973 0.196974746890544 0.384722942419334 0.345959548584441 6.98698842494795 0.35928169133216 3.24677267420227 1.20703437438727 0.762851172251007 4.98615609923544 1.20844023726643 0.486627096532952 0.872183222290463 0.430433961804998 0.462847709587365 0.614539177895041 0.370763583798979 4.42069111979004 0.96701410869269 2.71181086695342 0.478983078938332 1.8196556868783 0.606836412942043 0.366133906027168 0.412978492141844 6.66708976199708 0.467493253434067 0.47711881513868 0.351232660014993 3.74684455395371 1.78457600970146 3.62684256855029 0.483128412613144 0.461519033018481 3.35433865858126 0.256939719314127 7.33455816572737 0.427328713661194 1.84139263829134 0.621792332590665 6.82499558590788 0.689399178544693 0.34183179623586 0.390010419079856 0.944278452187208 2.42047435490201 3.98129775701943 2.0165918406137 0.876592704671562 0.443887964499443 0.419280325563281 0.460855873969335 0.4107430908336 1.64578516112482 0.357711593137237 0.315810146976671 2.15264386161395 1.26449936798348 0.369889448835071 0.285114866630096 0.200292686200449 4.18916735160584 2.71025963652323 0.405216122204797 0.638639531247538 0.410691633293414 1.75333699468026 0.394198634038155 0.275827852658624 0.584951521100968 4.30010123199 1.59078991505111 5.98173857661368 4.43788072549557 2.65410702460818 1.33141132273858 1.63593189980488 0.528426699645232 0.743490272756052 0.946038300061567 1.99887586715336 1.33572539426392 4.53212906966161 0.56955285220033 0.450131479375336 3.00904591395506 1.04083638228193 0.427657827511967 0.54060262568531 0.335477647648567 0.364470326634241 0.468914124762451 3.60614463063617 0.461276539360355 0.886353985638415 0.375504324095025 0.310703843738888 0.52346190464296 0.359337651407112 1.68561158197738 1.37900204318596 0.316450793351986 0.357268200665968 0.891617877593018 0.462961988207861 0.285998435476372 4.98064563990078 3.27163652880727 0.799451848553169 1.26602915777193 3.1475391664243 0.463645515866665 0.587099015778061 1.1656848103452 1.6848422917516 0.638186276081067 1.3711129590562 0.60572471566761 1.65524841717142 1.54272085388642 2.12105579294515 0.33228728015704 0.684400507328465 0.56744116339495 0.279228981658496 1.30346280300585 4.21986048788824 0.530981137702629 0.350530907810708 0.489247786173338 0.418187281647165 3.39567707348962 0.721457869299778 3.54438550531144 2.42302793533374 1.84898198224951 3.07092553568639 0.442700581759653 7.64921073245628 0.482225761595716 0.243882368491948 1.11467452194605 0.6203950459682 0.269604277579553 1.44607351631563 1.42644632405021 2.09934778639846 3.34434710512207 1.78393364807481 7.69481669269739 0.346107489012475 2.59950478549764 0.582715476573473 5.88346303670885 0.841639741687436 0.375321435420948 1.21501994140487 3.67384431456895 0.848727374628795 0.232521186838147 0.507445316447256 1.17588733971914 0.322881270623887 0.433071160739526 2.57197886081368 0.327889375722483 0.738526764192284 0.462598140517464 4.02875018532755 5.02770913496766 4.45053456344013 0.518870391213453 2.16022034118708 5.97762368865015 2.4533739476263 3.4986489715621 2.27418185459193 2.29869386826591 3.53471513266558 0.313511281368865 0.572070412353926 2.71474137386701 2.26936843052037 0.344310334421482 0.418663478300302 0.43430271120131 0.746269623145344 2.81789337333014 3.6632914451089 1.21623905629444 1.1370926425473 0.902505006657855 1.0975878313209 1.63394585316012 0.391880257446362 0.790650893930036 0.821920569068937 0.583989693912327 9.15064848829003 4.8001283008002 0.546316342303705 3.93785558634313 0.403184406993123 1.09543326123203 1.25014721680638 0.307372825637519 0.522252652448591 0.307900908643677 5.03886105595804 1.54590757646885 2.57955984292157 0.36230760910151 0.702632557035591 0.958962718904932 2.38954001139999 2.59986498827894 1.81573805281881 0.247193661202912 3.16838976170764 5.35959740478184 2.13637127215582 1.72554992297986 1.03298589130731 4.02466874476513 0.95692993166117 3.6912530436331 1.96721640114755 2.99261723662503 1.33507638603833 0.309026971148079 0.610787923215487 5.36970409448719 0.234601786712999 0.488831408910666 2.06325696855698 3.48311501221205 6.70658835543738 0.363954893606712 6.36339079032242 3.53710040405961 2.84189081160226 0.757316913804011 0.797928062144414 4.26637767540348 3.71528350049351 1.13996075719342 2.49025120820696 1.42934745728461 7.02048085141646 0.518743462614328 0.922574304956037 5.93793941925235 1.11716914061298 6.3454488324981 2.20839296065138 0.574832181416988 1.05847817112184 0.530438260653667 0.292637744598861 3.02702946662437 phenylacetylglutamine 4.40278187660593 1.28025773062614 6.4046611176958 0.448112812727216 0.168984309544082 3.921332665249 0.209839290917266 0.235553315543275 0.0412324777005881 1.26518342487758 1.61590391911753 0.0764337831617928 1.83391190424075 2.59632146433895 0.315315866901886 0.27866906377963 0.445931098968699 4.66360394648886 12.2064692043858 0.69620802635403 18.2544696979599 0.948642788076668 0.53440438757777 0.955154422197564 1.61033875890242 0.279393257595879 0.324843376139618 0.701062154508558 0.328166579077137 9.43028769178583 1.91653166302672 0.234820749066892 0.0896777461373612 0.587591389050987 6.65346843680115 0.242577036090368 0.315990072469172 3.33274128002103 1.79619747960966 2.85963455749579 0.631228058769105 1.08361163827172 1.74232870910103 0.0412020256586032 0.0483728870376301 0.416509406118051 1.46145504298903 3.61650486803717 0.814440655563435 1.78167023719887 0.641811101177958 0.767562692955653 2.12847726421893 0.710937599794327 1.45717190713584 4.3846890369668 0.954153781969803 1.24491271927049 1.61746141555772 7.41592773743648 0.782865867928652 2.10806717941751 0.0925003564779779 0.797236655542396 5.61843439463021 0.564281605984877 4.9325509646671 0.537959366225298 5.48698638839137 1.83410396348602 15.2217095183513 2.29161005866287 0.296585978471216 0.743185222324224 0.602825452421108 0.215565017945938 9.6635150427101 7.0784010362678 0.176697907560762 0.71413242194313 0.341286273280506 0.0510103905785676 1.37207332901252 8.61933640426103 0.60603158674386 0.580564811560692 4.24784499164191 3.16610347866441 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1.04510965513616 4.35029201881622 0.0508926448847757 1.50755890610221 0.160784056849933 0.391123368480038 0.537375492908369 2.7923831384104 0.887697286687554 0.306022709577282 0.274723179337186 18.4237233528428 3.06600180368898 0.817950418543418 0.347672912007809 1.09447428128949 3.3368959525149 0.971521156205244 0.232995476129525 0.274714195654518 0.843091617800484 4.33735270837349 0.503593724907565 32.8627941385071 0.513620555154762 0.617158967660254 0.240638145989847 1.17692075738753 0.606667842857522 0.175521342385461 1.64468889345908 6.56081179066735 4.77963805056299 3.39042273205961 1.01597588601219 1.04813964982778 6.57853474698956 0.0466421244236251 9.30406561265665 1.5549318960476 0.92942107604817 2.98732145580941 0.553334179461926 0.743928341324916 0.432139610259937 0.0740363949627533 1.74263466624954 0.204904276590481 1.74315709051646 4.6986547917795 0.40765910801791 0.0575746552080345 0.645391164777642 6.88962162784611 13.3406149494276 3.09627181050097 0.501897262126099 3.80417105945767 3.29628348103138 3.0610900082185 0.553058129389356 0.226802515031505 8.29019308089147 10.5504164808037 0.234890653347653 1.95715443932271 1.33664416168835 0.430179994935614 1.57883582421486 0.765453608308116 0.0564171638442806 0.410085957411581 2.72352304561903 1.15277740747152 4.24069320407443 0.245117056765884 3.0905091744084 3.58448071461364 2.71299431815925 0.755964246693478 2.81450281472072 4.46580056094016 0.78221375825734 6.43263630552392 0.408961263095214 1.59802227859171 7.02647350086509 1.90609368067036 6.55439182644073 0.517953860912263 0.549112261461034 1.1696568884703 0.989635199977726 1.24259208871307 0.568975629721269 0.413680223156659 0.465983421819167 0.926428386759396 1.43896104106284 0.389596571793666 6.31160674543446 1.16752271887061 0.304156795384316 3.49126660124487 6.13726581601486 2.23088176752767 0.0566486257859618 0.505708077560195 9.160979592318 3.26564620013384 17.3336045392633 0.35547964967568 2.9888016166137 0.479960991660839 0.732394415739551 1.90345300641789 0.436792893655995 0.60046858987881 0.0546792341010884 0.128025834164868 0.429723924413111 3.90063574665298 0.267009944631202 4.76190323710078 0.438971321104125 4.12689904255494 0.701030893274568 1.67985106044984 10.7600910433485 7.66318416575066 1.05978963666643 2.12507013651061 0.203360998809802 0.857129183449385 0.61330298610098 3.68452130384976 9.11003068381769 4.86625875187599 0.753376087350725 2.459226635549 0.118190765908738 2.34424271407028 0.759273197943235 0.29146876383032 0.815384222983657 3-methylcytidine 0.723173305511892 0.655860688077262 0.47411938972377 0.575007771293659 1.98060134081559 0.393292901631154 1.02256506806646 2.22070977395918 0.665614133560536 1.04697259344745 1.2176440458047 1.7882696884309 0.520548307242342 0.666983391455478 0.663976813228441 0.865125580330006 1.82925681262436 0.343980739776816 0.423779025939131 0.802188799017356 1.4133849993267 0.548562719688494 1.37385019462843 1.08810822171406 0.92544592123495 1.36820955686636 1.09414025580456 0.885558733990191 1.23468677596399 0.484643042772949 0.535839192741926 0.499571477653283 0.537525594928712 0.460513647901877 0.553258217120506 1.1611470555292 0.404561592064345 1.23131397159042 1.32688389372646 0.537896855111623 1.21667876932913 0.542490413306972 1.65135774253673 0.803386899675431 2.30974299985779 0.876915293528369 0.808637399618169 0.896423443004011 1.31140549037178 0.806062490010584 0.755712058153188 1.95663177659953 0.871526357585223 0.837376713302819 1.06500954579148 1.24663883683555 0.92842858778919 1.2157273364536 1.2120336122609 0.8625557047588 1.06039081741424 0.997924718502978 0.743655541026767 0.978621706009758 0.438581609910004 1.18682567509574 0.75973677023777 0.605237159746335 0.628288012323321 0.478874037083229 0.834640714531124 0.597565288305556 0.54488913164131 1.11471813801062 0.319964610724259 1.08063645321933 0.432607467237862 1.01740895630582 0.920430762492905 0.458506325895964 0.862653868468181 1.71493384646944 1.13179610642456 0.650152090824084 2.43482118473529 0.986658545087976 0.668277138804744 0.423400214701652 1.43729541361531 0.563956802933836 0.928137872188333 0.766243262256935 1.5770780187543 1.06803751867313 0.808516582745085 0.98077879059793 1.72659896726744 1.26383510510439 0.770875834234216 1.6387424473723 1.47487071965326 1.63071567636684 1.2573575587944 0.625528101878828 1.1418150973268 1.04154967775875 1.22223508698186 0.849131188246532 0.78692182519057 0.77412404620742 1.0655431536476 0.632892897100521 0.978307078736104 1.29209996086037 0.834216596966238 2.60365143828712 0.940877759753131 0.799335758899862 0.68133291215229 0.968788974453524 1.09364692023947 1.00062170349274 1.11425374815471 0.899320530939817 1.35185019714545 0.715812285817484 0.885975300500509 1.22884855227406 0.597610594632962 1.12715094935634 1.33380065971047 1.5090581192085 2.45381334548214 1.08680314778295 0.827823370765589 1.05570035401861 0.90352269280674 2.53666603321709 1.38210475578002 1.03607012916079 0.561565635654066 1.39815578077275 0.816976280879094 1.74673133725401 3.34552241341772 0.849775544902975 0.713575915156351 0.892332029937414 1.11080669174456 1.01596167084701 0.770182395723083 0.931912140963087 1.19636139850565 1.03546856181356 0.919800249436502 1.72647940890345 1.75321517610947 3.19331203096939 0.916222308080509 1.9636051754928 1.14049617979564 0.675881050754413 1.07474159662015 2.01914192332911 1.7218631975444 0.780953975063901 2.2836541063264 2.09382437002181 1.14238016791028 0.517739314943159 1.23851516062981 1.00117293047618 0.999266289197839 0.591150667450298 1.03518917279456 0.439258687802907 0.769227187320269 0.805921536991987 1.27300837789504 1.42149860745969 1.43266158312893 0.745462760086636 1.12176578894047 1.77766297378148 1.10654034591381 1.03448818322886 0.492606888323679 0.956852015691091 3.12298654276225 1.33977480238261 0.746438104634963 0.688268555772718 0.715039561233389 0.811325575044268 3.83565507286138 1.23852019466619 1.25627020693665 0.5869661247107 0.457260401892294 0.450002579943644 0.671425928559473 0.3700708918173 1.40545513352152 0.872645172170337 1.19112851769023 0.707799358412064 0.512705278564696 0.981504950345524 1.32552218688608 1.03390801053624 1.86289801923254 0.916972379500901 0.462364914780057 2.22555503397345 0.744619558993243 1.1691637584619 1.39416756545191 2.15224813772117 0.717372837094807 0.99937829650726 1.83293669321701 1.26377469666785 0.811956088100671 0.963796468875182 1.05611692052893 0.965871750372204 0.609584050159139 2.07069674839005 1.67188528437901 1.74437792524708 1.03157221765663 1.19854491178481 1.51028516557575 2.53711280394568 1.15210718470257 1.81801455088215 0.879634931681834 1.4994267491074 1.24142483365656 1.77946641731407 0.592668429418405 1.35067978368746 0.34180603606132 0.577997988902467 1.41280230961589 0.613218624424389 2.29866686131607 0.837107392356571 1.08486630228633 1.04949464567306 0.812078163482848 1.39700424495118 0.605587025274638 1.88733071479541 1.51893741560123 0.685267011582059 1.41346050987237 1.35559174468374 1.16233257109633 0.94810537748351 0.600833636424274 0.972852700320039 1.77440469373552 2.4295593582107 0.530313079307468 1.55108351340501 1.48666169136071 0.932947893947956 0.413227685689871 0.681500293861874 0.794252640666708 0.74448238150193 1.24263426089649 1.40383669082585 1.50517184312432 1.60327640257692 gamma-glutamylisoleucine* 1.59267145226214 1.87432667462519 4.33560167623142 1.21473266696829 1.99998831831863 0.848975628867591 2.33393254368163 0.737521605494344 0.931527824641788 1.30662032333995 1.57110347408711 1.34016157562518 1.06435438267481 0.3375039931132 1.45847589103148 0.532080817466091 0.851660169105817 1.54004278191155 1.25429672459133 0.814183538084753 2.64383586878237 1.11545589783381 0.448751340585261 0.977693829421393 1.05701918536447 2.54620711531212 2.3190294140244 0.507026306697153 2.52517290011668 2.43552318431851 1.19113162693922 0.813366269684195 1.26578161456113 0.568110267883419 1.665471241273 1.02983052126807 0.951966723382727 2.85070856136949 1.02535553871197 2.14543738236884 0.865499367167377 0.564890616779298 0.694883917784327 0.931608697820513 1.42122435702453 0.648351737223273 0.892524487724575 1.40853625387349 1.63627153079898 0.966623639140282 0.641880984334416 1.62231192156021 1.89655646497944 1.03518252851791 0.702126110939131 1.44658034503194 0.568576187251961 1.09849814014154 0.976657754142841 4.54624979837867 1.45202670432362 2.01551551933835 0.721280474024658 1.78693736417237 2.00870509909885 0.627196661555182 1.71803656096692 1.10278307072764 1.97973722507051 0.539021533382426 1.11993447475342 1.57614996043954 1.04121297187815 0.847893725454429 1.29034998766684 2.02126380516393 3.15873697661013 1.54440454201744 0.820630029019992 0.76510879464368 1.93641076745502 1.06138723560648 0.803895121864648 0.475522159924914 1.37568062642567 0.574406244847143 0.604252940750961 1.28478186931164 0.568101731270109 1.18490888513178 0.778650559125707 2.66866213746913 1.16139905207649 1.16952186428852 0.802549032734318 1.00135148067558 1.02701209098952 0.348192282272554 0.336210022253603 0.913615763440561 2.21157322145278 0.750656757605561 4.02493634606891 1.70189112942539 2.43539468582343 0.673214398840458 0.805108668840957 1.40223982761433 2.2420826281267 0.678474749821068 1.43352606609945 1.0629292175475 1.63982051545868 2.94917165646691 0.660258964904186 0.812526087216332 0.980931901638446 1.38722437409776 0.581577898618282 0.37026212345111 0.30779028865884 1.17461193229837 1.35048728336659 0.347852165626473 1.64572830116453 0.791564208586305 0.480884950265242 0.42847778256527 0.905320421780585 1.48161954830533 0.488738185214855 0.696364795545865 0.434274592298088 0.603910128332256 0.614801948324735 0.496299827425623 1.08669784477472 0.900036258141795 1.29907889942387 0.381882251347549 0.472661495875243 0.51398724090817 0.287204470309884 0.651477036285549 0.563184642003642 0.876819365711659 0.536353167779946 1.41863686460078 0.70211263207601 0.986099248463522 1.18055790811639 0.529786714962931 0.540594067413186 0.733522426806404 0.754835205173008 0.744027403427316 1.97728811564146 0.464296962717914 0.878126366138939 0.799378354832869 0.850776854275967 1.39373107062161 0.597305934698503 1.10841768480757 1.1749767601935 0.392661298185251 0.687195124964787 1.11156185427821 1.12952064220493 0.955276233574321 0.447185096690625 0.37336630562783 0.535116257440894 0.692274859179578 1.0464522059732 0.572055531118876 1.7087761327075 1.04813931034049 0.543109672566964 2.25409993318977 0.628226446697611 0.986739943757197 1.10083807077931 1.9908132561923 1.90159935696837 0.628959247555945 0.740610062330756 2.37949155032536 0.936931500866916 0.432516499251698 0.921710270040037 0.805387681307558 1.34297551294937 0.979490561875395 0.653489879844921 0.603530473687687 2.14186143998289 1.26782411161936 1.83636480453177 1.01240953997988 1.05172334004431 0.946300209326744 0.889046941039409 2.14819111410442 0.944921770924924 0.556893157994291 0.951288287272314 2.46689344105042 1.00507389337411 0.704444475395908 0.537432824715922 1.52180767729086 0.957020398462152 0.371784785688323 0.724775093936444 1.0304586362895 0.669293846854056 0.529402567363988 0.596574481726481 1.12980684339853 0.937399217417207 0.619676354524652 0.977376626842617 4.32221626656159 0.627489152884904 0.624999606866492 0.332537930644061 0.890284300673898 1.50072673536993 2.20395406942603 1.89911160813171 1.02991094515136 0.832812674804006 1.50448374381713 0.684903718234251 0.335965605535679 0.784579012421671 0.533892825964963 2.07036775280843 0.490565469758598 1.87598906774342 0.45204108177761 0.311260646617007 0.226380201886412 2.0468682535482 1.57674662478035 0.997620082068305 0.726364701193823 0.454731462856522 1.72544274695636 0.927512022022665 1.69203089175709 0.187996892672755 3.70596489115593 0.888700534257205 0.771140136594799 1.92856427193696 1.36787636467873 1.05485133487921 1.02292485039585 1.67834804850773 1.45652460094703 0.666243130834382 1.27331405256847 1.67323911008951 1.91369888309647 1.69918547230161 0.596713314016625 3.10893482385597 0.876475205406642 4.09331102431722 1.39987114206857 2.44770717798884 2.98067490464828 1.51628134341133 1.09765436331018 2.18573424085021 1.57554880314435 2.41051135661612 0.844373944998151 2.57765824522275 0.780257688905143 1.51335822729587 1.45124403167173 1.10352845185822 1.79251042477739 2.38786956234581 0.948814915889648 0.998648519324421 2.78969513956689 gamma-glutamyl-2-aminobutyrate 0.607370465031367 1.96119427755834 0.702328476117768 3.14649151923524 2.9165101072128 0.879763999070601 0.276384970292429 0.405103395625187 1.2293374713712 0.446333853354134 0.489152587380091 0.334323032495768 0.754109270753809 0.683831778803067 0.749767650280479 0.428182361337007 1.53477611444883 0.54770637634016 0.5809904736615 0.421610183556278 0.667452783217712 1.95117170644273 0.672655757294122 0.617784711388456 6.56427291134199 0.139618946459986 0.468732366315929 1.00753642911674 3.99914030603777 1.07964284528828 1.27449463936004 0.959244199555216 0.434927141766522 1.32759318883394 1.65408769542271 0.413947621734657 3.07232382912338 0.539336807514854 0.365220566269459 0.797477345902347 0.263887874663923 0.98251236432436 1.22633186178511 3.37306568858499 1.10951804029608 1.58348325422379 0.432887443157301 2.99276894480035 0.191087728615528 0.191032960467355 0.656494174660604 0.154223785972716 0.662473860656554 2.80971387791682 2.09037408304843 0.971313107843463 4.33559099810801 0.744564676204069 1.9707704052843 4.26765857868357 6.66688518604574 2.03104856109138 0.455594649317888 0.0995203637932751 4.68213894513227 5.16209878182361 1.14316393932353 3.30456567198858 2.92319348093073 0.89731802038039 1.11224483021874 2.07346234274903 0.584064128522588 0.565763268828626 1.08838915258738 0.675792478507651 0.567288478773194 1.66824277226408 2.14914030603777 1.22065589006539 2.1614216483553 0.843919075911973 0.660759451654662 3.24998008430976 0.0702658744647658 0.429075248116308 0.939326849669732 0.404890961595911 0.376129385600956 1.7841354930793 0.917074385103064 3.2003335878116 0.457201181664288 1.62632688286255 1.2289358382846 0.536103827131809 0.670086633252564 1.82317356524048 2.17906529027119 1.18355959770306 1.33338367577256 0.7997991834567 1.0917880970558 0.839487834832542 1.9742988017393 0.795847578583994 0.995223553622996 1.89205032031069 0.484596873236632 0.609113087927772 0.965844591230458 0.534837521160421 1.78570717296777 0.921205231187971 2.24052842964782 2.11487204169018 1.68632953828791 1.42850765094434 1.72559830052777 0.575168453546652 0.591718392139941 0.730807913167591 0.458218541507618 3.00083645899027 2.7821522222591 0.879121718060212 1.4722906363063 3.93015733395293 1.4323065688585 0.976522720483287 0.598351976632257 1.07771932153882 1.89903076974143 0.737969263451389 7.38135891393103 0.472542901716069 2.56814153417201 1.3489959172835 1.32986689680353 2.78093238623162 0.831674245693232 1.27268563082949 3.43287250638962 3.41817804627079 0.718436950243967 1.74231254356557 4.72608623493876 1.02690443787964 0.413303681083413 1.40150363461347 0.539346765359976 0.891278587313705 1 2.14939257144754 0.37767949015833 3.17285657383742 4.73234805987984 0.702348391808013 2.14029773956916 2.42629369004547 1.26623792611279 2.09058153815514 0.173186842367312 1.13649218309158 1.22316526703621 0.193880904172337 2.22954492647791 2.31376174195904 0.196971155441962 0.894488332724798 2.13079131675905 0.345094101636406 3.19674212500415 0.488078799747735 0.584958674942742 0.688492050320311 0.728925880439473 2.18494871709762 0.869841006406214 0.586742788860491 1.48665482789524 2-methylbutyrylcarnitine (C5) 0.833749151828608 0.946509091413931 1.33925611970482 0.473780874740198 1.74312728095197 1.93117548311785 0.548635868524613 0.578079346614459 0.314068249380032 0.953455275264517 0.711770681064997 1.47724268663675 1.60190146576743 0.23755581444989 0.812497433070383 0.274248446392965 0.749225293410901 1.39926428181792 1.62049890699414 0.938127017751295 3.40698849841993 0.753556679830557 0.296733737524722 0.829187537130095 1.12822876361051 0.728533093001234 0.783271601688881 0.765001425911325 4.22145256111606 2.9999100490016 1.68483252628102 0.530336624980694 0.598634885137492 0.764925068793714 4.82611358468323 0.763945730914047 2.65972694231972 2.01871125382436 0.798959663195696 2.40702913544654 1.27225593054742 0.700210676229046 0.763907696970994 0.911709190446799 2.17798800730483 4.70771984920626 4.35077519828266 1.29660806643532 0.248259838643527 0.306868554114347 1.82445137121765 0.402644819661264 0.367084384448832 2.06409500329435 0.377701349959132 1.92332183541686 1.40954154492431 3.06398943379462 1.5135124621179 3.21577104202592 1.21381178780357 1.9838483003889 1.5857911262617 1.81375052857058 0.685368183030325 0.415077291335376 2.78471211920503 1.39791111221662 0.663492302681928 0.913042403074184 2.5087117975796 1.38166685852357 0.934621387281565 1.16548438468022 1.65753239826716 0.954391083802515 0.537852594898303 1.4023338957922 1.04898251248468 2.89727451367168 1.00856168642793 0.302369413421152 0.927800874520382 0.277459060726468 3.45596305703819 0.764037995764494 0.893971056024721 0.444137537679634 0.795582451514676 0.402093399794877 0.28814197102016 0.672449947041711 7.11563403306148 1 7.91550390780688 3.76018716749223 2.26558147969682 4.55828246233194 0.497931271652594 1.153378744608 2.34084588067812 2.40846184371202 3.27655188610757 0.5794176207932 3.27801669907024 0.47059325431143 0.313803602551947 0.723916379700807 1.75899365368229 0.47883143529978 0.459033827938491 0.227520059651106 0.578796062286583 4.32370602162642 0.402505699306828 0.318460663647475 0.423244465988978 0.34828983195071 0.247763372763301 1.86250208969763 0.391864149118509 0.504475423709695 0.825382552051548 1.66047937808285 1.01726914553493 0.446682051854581 0.248087601281643 0.62740271842908 0.589471597176869 1.99634498145737 0.435598700540689 2.92322074900548 0.903750840940604 0.900423666310141 1.46985311088731 1.18250912959249 0.450635991158771 0.921408858235491 0.525493877258247 0.58170732201127 0.836381303149905 5.9166897569819 0.474142269507074 0.981882538457667 1.00679014345304 2.8305998545744 0.500315406957406 0.521026696646476 3.63178168343149 0.833472212661514 4.76874986623043 1.10358537159596 2.82037769006993 1.64981989554115 1.69864130607693 1.20426975118571 0.752401199963673 0.602651153831247 0.733370345325064 1.98965592441571 0.65210540290238 3.15415605428066 1.14494547696878 1.24349200188116 1.14056333041981 0.792577625397766 1.24653211424182 1.30572030503512 0.388322220094764 0.769671791656134 1.11339321196794 0.921123965201979 0.391722425680518 0.833873665991986 1.56776694188009 4.88229275550277 0.397575748285291 7.15986490574813 0.976417219918333 1.49348650648255 5.69288039293836 2.43396931485105 1.04232064320459 1.58569423370716 2.57039735781235 0.716263458665058 0.554870687485936 3.96582599601208 0.918050301986615 0.413004369131131 2.06520073534218 0.440468925256216 0.842458346324649 1.11764968742751 0.375697698700599 1.19046256216308 1.74986854428048 0.527211623172997 0.672319503632459 0.652896884918833 0.404938714736172 0.412535235628231 3.46771858237227 2.47301918356887 1.50028388072324 2.69643302352783 1.92006277480609 1.43840323383962 0.247343697847944 0.760978649508683 3.57541017366038 1.49990599976052 0.258131165331092 0.373516459297318 0.919485902567161 10.0725370924945 2.53278511429561 0.513587517693737 0.551157244179071 0.690853458543581 6.23043334399634 1.27035813802012 2.53984308612331 0.26523194342169 1.5821563539245 0.764618917244503 1.52401532579905 1.17716297443367 1.27775783687227 0.982635118836549 1.14645367465736 2.44928050770542 0.814303394594495 1.84700405329033 2.48189468618092 0.813521601833496 4.49032419381056 1.84693261310832 0.659453184699191 4.35519465569592 0.73100602237842 1.27859010053109 1.23604544752502 2.32894718574852 0.947680189782145 5.50409566274218 2.36488853885449 3.33772492811151 0.77817230562052 1.94373131202931 0.460267834159282 0.972400661993071 1.86774079535193 1.40911999000416 0.647415658646663 0.738656629562121 1.40251582240954 lidocaine 1.04473743304169 1.05082471088965 0.996555366176039 0.39178267008134 2.57040148128018 1.65773383118945 1.01788422919864 1.12567787407613 1.73340318791108 1.47908328962807 1.21656099489477 1.23628705110292 0.58669850822665 1.68034005305747 1.01223850508163 0.685129285427349 5.6875984875107 0.530127702329846 0.858481703455264 0.813112692858463 2.20087625969784 0.838796368964956 0.554693909343878 0.816038988080297 2.07707533104069 1.42919723062348 4.04791766889601 0.889974055704899 0.408576632295039 2.24936305532247 2.67328317481889 0.0386939066073789 0.0240179949596938 0.181930887686863 0.0136096541875885 0.328323899631586 0.0330376274211057 0.771183657521101 0.0318465334627784 0.0360091400384367 0.0673055068044199 0.0537887632882702 0.0112567207530351 0.0398218004596081 0.119839780564019 0.0290094350917156 1.38564903462978 0.103295165573039 0.565136912442215 1.65984875432754 0.118786879827376 0.160079288116611 0.519034259376689 0.109953068708842 0.358357827989574 3.7254529403377 0.30606899216778 2.0051478766833 1.61143499717603 0.0218897802529053 0.504332285829582 0.0346186725495324 0.345411449142272 4.37918480398406 0.584633363316463 1.44200092057144 0.611898540634622 3.15941298308052 0.0965700878914754 1.3903971869307 0.0542115524516413 0.404978787079853 10.4849038565128 2.04039770328208 1.17899478667537 2.3259702494948 3.32951333214383 1.57738493011713 37.0432106618188 0.137890186948846 4.18866906147289 0.625114594986192 3.3715658357297 0.660552849117793 19.8395634032423 2.69741076006565 1.56778730988129 8.07164416151067 2.74745299500253 0.841283065098292 2.04748061084271 0.142553963850386 0.0590103951469355 0.128323710682815 8.7886897611365 11.5764629904251 0.0197712736036515 3.37196438732661 2.90419082183952 1.7396797403036 1.90933026098288 1.89127555438465 2.26910325011107 0.0102128765264414 18.467033016615 0.805104392404116 12.8512602117445 1.44175535232414 6.93635433315402 0.164490850986497 6.79996492068338 4.16154311985239 0.266405257128166 0.0293776897305464 4.19970282267637 5.69334754705891 7.86917845172185 0.0196927621316432 0.543476020820982 1.21491153728036 2.31132958656608 9.43052117511411 0.250939213844759 0.869720636961944 0.110651788232342 0.145093891413292 4.50171150122372 1.63973144385431 2.64502875295342 0.224179441911137 0.147627889894078 9.96935641865979 0.812808876265953 0.1246459857459 0.0286500414986882 0.0268971181435744 4.82892731404664 12.2804534679283 1.48345119881643 1.95926655429862 6.65975835211392 0.415544476569717 8.56558986825417 0.180960863790382 0.923799599500276 0.0695823394926615 0.0144358815540098 0.130424755859456 0.134741648879692 0.256032946932011 0.21174537485172 0.0217399243312297 0.0283285679693197 17.2887318673928 1.99216735674776 30.5188290219187 8.48724884106805 3.49046041635644 3.01673105530397 4.07510146793323 1.17647818451245 0.312747679668373 3.19802596749019 2.38411115452227 1.61510034271072 19.8322852269003 1.81511844921534 0.0278593886249778 3.36024695734654 3.10311048443826 0.352365089681765 4.85228177304705 11.4905884454373 1.36154679458021 8.89636260911018 0.0141508295290833 4.09512684505624 5.79504381510242 3.79285832937165 0.18660476357443 2.8783098571544 0.099354410916209 14.3326270449999 1.00344463382396 0.216167688255117 7.36559772591684 1.81926639597258 5.33903654565682 1.05696254882249 17.0148851561227 17.387341298914 0.977314387070874 0.52630982952879 1.07847534370026 4.21108555271311 0.297520428538418 1.35757658997703 0.803304492475294 0.278724456365881 0.13001799476423 2.87205428459093 2.02230377352522 0.757528069235781 0.273050324778504 0.0326891798258355 0.0713476422500007 2.83585417598447 0.56968914441423 0.0425143204436283 0.0540523142461737 0.837794875324923 0.23501526298851 0.0824186068149065 0.930664499272238 0.836554654686185 0.147784977992844 0.41321649740386 0.0268852599793375 4.3000659594097 0.268793439281687 0.131593827512772 0.312645582177388 6.40377055742266 0.0505472493929288 N-ethylglycinexylidide 0.297522466850152 0.387358400313167 0.0957592775143091 0.392436287438731 0.272599299133624 0.962056756045898 0.548896284877819 1.83188409640505 0.14487058789536 1.34402477473778 14.7407748319823 0.275341690664489 0.464135665754779 0.287203617574026 21.0651189844067 0.0411283525127902 0.995252418962696 0.218479368931318 0.0847503279806859 0.235754238812687 0.154096597016083 0.252079157092111 0.201506108683567 2.27352253334677 0.146959887699888 0.110194583732198 0.893043761697516 0.123471146902297 0.771423239259758 2.57418399652159 2.04204604534159 5.68109154980448 1.29784742946065 0.187222596815406 1.07446393538429 0.697886496220281 2.18893844689642 4.57413115546374 0.204788983094622 2.24709032792923 1.36281778602301 0.370156755867782 1.55646739914532 2.6773756557882 2.79379479739215 0.674321363481367 1.49258632041986 0.0574516875395442 5.09606761597177 0.166079840661451 2.67796680275383 0.38329458652268 2.4872151357372 2.48671482789351 2.97804325406713 2.75924466181624 2.26553304456124 0.132261959445379 2.38716108744918 1.04455866732873 0.121021063395614 3.34779469725141 1.24243952321138 0.641734263309564 4.40526637335592 0.162548791394388 4.26502185185544 1.5181665379944 0.297378984576942 0.569885267616209 20.1689211854842 2.08851668817581 0.983190012683833 2.73363357081464 1.94315291707378 3.17245856776193 1.03908674819494 0.770514650133815 7.54032594026902 1.26556668868048 0.147105349038936 0.662732745563973 0.152278627137861 5.24406849230213 0.0635408773080113 1.18190999248153 0.11127990343742 12.892920861709 0.602195298570778 1.65041602932501 0.1649230766795 0.125779529295023 1 1.47625962098119 8.08631458161856 1.78298513978835 3.20519192089911 0.565176278362735 1.67590817846978 0.568875152412808 0.40556145207227 0.49521768635725 0.0305963578459768 1.73830753060279 3.91145402164979 10.7222525569036 2.79807769377083 2.59604455985477 9.32900722735053 0.150958194411158 3.56388830231576 1.24187370828847 1.68125699970848 0.0682120664039919 0.709477489016679 0.802793411848153 0.155274339095911 8.79921446918783 6.23230650821738 0.135321001510225 0.693305552526485 0.285261362361216 2.27361772641354 3.20698554826754 14.9792556297991 0.284704849047743 7.48576547001131 4.35618237408342 3.69920514778773 2.13426833639132 2.39232724091109 0.174626634386784 7.47231395742119 0.267831927437947 0.672778879567709 1.1988745448396 0.425535174036081 0.832418246274557 3.41331642155606 1.85178993641064 7.79493097908939 0.969470534579327 0.836183221123599 0.293993198742343 1.65540644174056 0.230516838980631 0.283584301970615 0.732318481565694 0.100300046171606 1.67628558632497 1.00690100257496 2.55472067563724 1.01358470372098 0.365487941650806 0.0932029181721586 9.46437533062769 0.56860580155234 0.132580984858365 0.972281995507916 0.340794939291166 2.54361653303684 2.29207904626442 0.223822252972507 0.700736351026116 7.98066769327409 2-amino-4-cyanobutanoate 2.25838008073718 0.629700834614157 0.673486199295635 5.20805741412769 0.996484958798363 2.05515526989755 0.318678635337351 0.944521803199533 1.58619682786886 0.713513678341642 0.74693062828999 0.447830402056365 2.22056517617105 0.207540638922841 0.40926714029799 0.330101605911672 0.716362432171674 1.21496692266031 1.40259565551294 0.326922072658882 1.84132247512191 0.636910338706781 0.575933393031546 1.24203689799113 1.95861943466333 0.368958752301284 0.401786418251914 0.712552464219856 3.428186188222 0.537068519365416 5.81837803364694 3.82328209415659 0.164954379778149 1.64661478661434 0.299330588870955 2.18800597045775 0.855369368862733 4.50044687879859 3.52308303029747 0.329212586292913 2.68110064103477 2.13121685419298 0.372197305877716 1.34754846823722 0.255395130704673 0.542890188053861 0.474534052492448 0.624944606120311 1.93487147458458 3.42527988154194 0.844280221360148 0.178372084163898 4.20464406577549 0.275539970444892 2.27029366011486 1.37086229479748 2.18312837409786 2.77941154983922 0.685732635244714 3.13669345154173 0.338162192712591 0.385128853505661 0.219470235266953 1.33919178023461 3.21424373228609 0.50767254873178 0.149781170500104 0.975783880392176 2.00653090742947 0.84259131992004 1.11377288900536 1.49656866032677 0.387677609412605 2.19403635832003 0.434573361218987 4.04243433190864 1.49614208157985 1.41790990531054 1.19159878776093 5.43984918171084 0.490739533753102 4.81822308402964 0.60006829352808 0.942910786562714 0.732262199215082 0.244109934871276 0.347230250955735 2.64936386566654 0.168904227976511 0.717218697117707 0.933259122806706 6.09360573704958 0.193826975120294 2.06737988515202 1.92532319328128 1.99771312551149 3.02095789337787 0.227632335323118 0.471170371387301 0.580836345255972 3.37541870111935 1.13311583830495 0.593599114513661 2.83237506873111 2.16496246860614 0.117919248698503 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0.788673368897789 0.501296028930612 0.083689428701057 0.79976187158928 1.63364306357865 1.77515986228087 0.274587166685294 0.703787344082285 1.17073677760443 0.969449203440222 1.00294623942367 4.4237321380301 1.4585247776541 1.23465906452178 1.63196231725924 1.64122717617096 0.0849724437558148 1.66028595482977 0.119694655345786 15.2446705626639 1.46606891298072 1.66278240748538 6.02337785439804 2.42684815324596 3.4690467939849 8.39911634932373 0.0436805214260282 1.92802254921924 1.91657714310891 2.8810016295414 2.20724946034944 0.893452931703009 0.426373019190278 0.845254128673379 0.936864159462678 3.1875937445616 1.25814749433556 0.0636727267097979 2.35893188231169 0.755821923226298 2.83348499176894 0.752251698225741 1.14360514301569 1.6317724677762 0.323309927069559 0.0787252729979428 1.62721131693449 1.20387793086519 2.54187108233428 5.36828826364445 0.376765485363983 0.883772309228063 3.78561349196993 0.106451463091372 5.67660008155362 15.0214002556163 0.481452164819972 1.02420155618737 0.336698908756739 2.27396488226865 0.22127348515508 2.46018408935446 5.69095311075013 0.434089992397515 0.459504305721631 0.51368642955555 9.45854570192508 3.86707695249391 0.0911920557177612 1.8151301532184 0.468253713079932 3.21161633869148 4.98275652943577 0.477448654305696 0.134826986049295 2.29825251716428 0.997053760576326 6.21140046145673 0.531697633737138 1.17574635428601 4.84515341998703 0.174352593699481 0.476136039062722 8.45557105312536 1.90643295446794 2.44168822461984 1.72922768515811 4.22371124778233 2.25135748334437 1.27305731327938 0.683454396401978 0.803818458303116 3.11244822306158 2.42585807798493 1.15132568865944 2.84598035398083 2.01856289044817 5.99401089525089 3.39570892535836 0.157341671740377 0.257260169153168 0.763582276019714 0.0803704650682905 1.88035978178197 0.100485324005532 3.3105037628814 0.917300306327925 0.893904249515297 0.746186891845846 0.798759888206554 0.717803883782857 0.449685719151033 4.797885491842 0.263908813728227 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0.698703965995508 0.532317236103938 0.813277685159256 1.04993663138144 4.45735411359406 1.09475323363045 0.300068738983475 1.45581691518983 0.660101799844264 2.071188595488 0.978331568945572 0.447730402787494 0.917785323944377 3.46778645876619 0.550926288809535 0.883978855696312 2.09114146283678 2.15885328492102 0.868985454959344 1.81969799227663 1.13517238027651 0.367965676238629 0.808064339081044 3.13410936020434 0.54144002222057 8.99406551473956 1.1533108827049 2.46185138289217 0.14646803375711 2.43762745124675 0.714411249804992 1.80683771904698 1.23309273704761 0.24433751338689 2.90743684590073 0.546616244016557 1.01614366287237 0.551025680637856 0.439722357618042 0.842967998615602 2.12087421609758 1.24741562262357 1.96324097008787 0.47296090872143 0.401124747628708 1.11396192786735 1.38924539918349 1.22463920049146 1.3470494337661 0.831410112705102 2.50175247705445 1.89973102613794 3.26991006895751 2.68766970121112 0.965348532464468 1.68218298541834 5.08762570893668 0.401068976832001 0.645945129804631 1.63401279488387 0.459208555864578 0.124676417584389 0.579275909437338 1.25542813958156 0.487616562863517 1.33059856745832 3.94280928387175 0.508049092813321 2.68412686345967 0.982147270171373 1.21248741043872 4.016536505277 0.31203060458328 0.723718897972432 0.643867773094025 0.207792116844291 3.05130963921019 4.63340075046737 0.819948328061545 2.03063563267919 0.587715693134396 0.745850116954145 1.66012415878697 0.330269764440523 0.692117527715175 0.114393750768325 2.95434894513461 0.511174113642997 1.48403567272279 0.313214362946051 0.802091970178064 0.920743201130671 1.65958518170775 2.67419417737695 0.558143333647483 0.800656947923322 1.01673064839837 1.24902175407002 1.47181925266964 0.997349832489333 1.60141100959401 1.20647023927697 2.19034885097394 1.5550288594889 0.617602005926217 1.56466725126161 0.959005764472922 0.611256453613505 1.8224562420726 3.13941037021262 0.258100750408304 1.80714973176441 0.75384052808954 0.768283898835994 1.30941292081956 0.628859269524061 2.10645514488131 0.527481967090843 1.61739807549408 0.723539942057433 1.2004665678542 0.668725601858442 1.26794990685602 0.576977747620861 2.48133083126921 2.56116651582115 1.41901645795367 0.611298049684271 1.46781987062019 1.58090743726777 2.88280277531009 2.66373795454149 1.2142888662337 0.594779178441322 0.717653718363889 1.51932677476639 1.40918316369927 6.63138599879633 beta-hydroxyisovaleroylcarnitine 0.900813568179841 0.650870915113657 1.45786902410843 0.798983561687819 1.49658345528744 1.06707379869833 0.567138744299176 0.474087276354097 0.592051584891578 0.869961393695156 0.979892118599107 2.64140453063303 0.985726625786367 0.49656981258673 0.738670006738225 0.415417825476608 0.844727981363183 2.09685886016949 1.65546419035362 1.01568523510149 2.94596887700204 0.784064538731088 0.39308275732053 0.88920153587621 1.65900837363588 0.483106687886671 0.406818862943715 1.32857061363535 3.21097890946342 2.40807272232098 1.76069751131123 1.0086933192583 0.843116619772791 1.13950194497321 5.24712077146871 1.85654643090134 1.18330224806961 2.68734680119596 1.02478853337985 1.29504815016717 3.54660140337069 0.567883699212588 0.642714610628121 0.990194578543027 1.02219007480198 1.19862484114979 0.450110388485104 1.96467555785796 2.5581997929736 1.23657921526297 0.339284194778932 0.336636749387332 1.65252269717082 0.445591164555528 0.313029673889324 1.74337546939615 0.437972192114862 1.04182274603707 1.22249106450694 2.27076864816002 2.07577054449541 1.27712773305334 0.597790022084042 1.24098244450927 1.65543627040797 0.972778750992348 1.07493288267157 0.91579414192584 0.818210124622581 0.757856847204861 2.46608783119956 0.718064071579634 1.03205558759651 0.595957712196505 0.678032707327964 1.88032508715624 2.22470619492196 0.989968553892126 0.970604675588316 1.37091793737848 0.90372815668775 1.73939928840942 0.696793387896945 1.90265241387284 0.698310075489822 1.47712350698884 2.13041926938198 0.567271110223313 1.80255839345587 0.910234265476676 0.46490504077486 0.759070730296307 1.09818474031563 0.647885511470878 0.340777784962228 0.54931947353389 0.929080863332945 0.540744116045954 0.45140993504615 0.720879798098182 2.97204293351569 0.582261455950289 11.6037515015696 3.12125219940958 2.18097302660396 3.62936411752698 1.07275220800766 1.040223313878 0.63380865560195 2.03456451198505 2.29578466564247 0.773900409426967 2.35838105687528 0.551851178059898 0.700896858454061 1.28651657623037 2.37575982704355 0.816426674639926 1.18301124609065 0.478170695313885 1.00939499825595 0.671438269983717 4.76173365856686 2.1438026953281 0.681040827653792 0.541001867907818 0.533688111236617 0.726516835124409 0.42433964410826 0.266829143829156 0.623839712099673 0.494163493998449 1.11366990362479 0.279136636597097 0.49506226243061 0.380837830612609 1.51347578385723 2.44940388695138 1.14896084183205 1.07883977142956 0.340540211606537 0.900199963919816 0.471472192717679 2.53260595952509 0.958410893144467 0.679634931481598 2.30629944408216 2.45562267411782 2.36996719977476 2.0513265051722 2.43621691589554 0.60254351973937 0.615319052323438 0.885987188679122 0.633974525460865 2.80959453703114 5.98161941141836 0.348011842879491 1.29841834142451 1.12705472556819 0.70741426213009 3.71163442536913 0.540791579953555 0.921466967246033 3.26220744100817 1.16998912962298 14.1139182007778 0.916742024080572 3.26927575597536 2.01292503120213 0.910763094629008 0.717887668286679 1.15871327884671 0.463111691902385 0.797042237103412 2.60320522245122 0.601696910842032 0.894431449331359 0.436196864298214 3.1246599556847 0.501198051213176 1.18210651294283 0.535071925269981 2.88527726060661 1.63387395020211 0.32854745277135 0.879054412357165 0.571896937581725 0.736596443138524 0.569766645728823 1.7646593515986 1.90645802937343 0.64087823965758 0.452058185420547 1.42637824432148 0.529845692171304 0.755078812612937 1.33291673390192 3.37328897530817 0.526017106169972 2.01425681260951 0.623101356446141 3.30013491044646 9.78680697539231 2.15304686242314 2.89261119578399 0.631161844754569 3.43582939974084 2.42653288274771 0.516680422527767 0.559910904915262 1.89701258485205 0.871226674868362 0.405153565094687 1.27796533142276 0.879241729810691 0.662875222653635 2.49581089770049 1.97505149802248 0.490499001132217 3.49273215260306 2.52821212153324 0.771163874026982 1.91911997854225 1.3905127897781 0.38740472873774 0.321468096734743 0.59160918066191 3.13963240726469 1.21116978036458 1.70173439336906 2.01633849837522 0.346294004769107 1.7853034863192 2.07342285779299 0.167812833314181 0.607680155194287 0.294615962099435 1.14803174218621 0.566698497519852 1.17680514980859 0.243458245689557 0.692049916040282 2.9165308477644 4.47670439053202 1.72318807960459 0.492882856855137 0.770948382810121 1.40643350423936 1.72065332926633 2.48342294472555 2.48470408950424 1.23193143267457 2.50028443444628 0.575320811280013 1.8111751232269 0.832334825125641 1.10272871146976 0.771780143372728 0.993208029040297 0.753614157646039 3.06054053141682 0.373144108862914 0.913031082577491 1.64251174684122 2.01980069854435 0.888321296135251 0.643006374060137 1.95635414496658 0.521370592670012 3.50724075235878 0.420580350335671 1.7841111777312 1.0067919709597 2.99842220579881 0.924899470745703 1.43184128932279 4.65496930931702 2.58747119089927 0.627092005041073 0.753741447216423 0.920663126629073 0.897233342785927 2.79396698199919 1.26389037918649 3.02342134440503 0.671489541156633 1.31910917859964 0.553147678808691 0.907941911030174 2-methylmalonylcarnitine (C4-DC) 1.59126643816163 0.43000272992745 1.64453145896698 0.659573634967337 1.67682953395451 0.718486020841204 2.13023242988361 0.479833005650123 1.17958124567417 0.808827316922517 1.41089268627619 1.8170110327674 0.758869093085011 1.8316202808792 0.74485436250679 0.115070578275844 3.3966441194881 1.01260564681357 0.641586997824331 1.91535791003372 2.64349408653594 0.983668415842403 0.427958869093085 0.834348553827827 5.34203343747501 0.264711413578494 1.39859974024327 3.98829274749274 0.97964577123208 1.40134069770328 0.771423450352547 0.161927163329629 0.533062730423801 0.833420929995285 0.593049439261872 1.6236362082135 0.981455795856577 0.992073283385772 0.531944287419998 1.17535785488368 0.512550221013823 3.17725170758341 1.27385584328562 0.121761382280841 3.12010302029246 0.772890441669171 1.31638976745982 1.76927314992265 0.383223354942961 2.23848094703665 0.844164159637333 1.94203619497749 2.55396901118719 0.575574594578199 1.44602988581182 1.09512115087123 6.06220153482588 2.57172732712528 0.96444090258571 0.31155145361743 0.184403014501705 0.6579544295141 0.544148993373722 1.39133647872449 0.630782000126845 1.31779940272496 0.648444354978809 0.58664651851525 0.364024519712006 1.32925627400751 1.18678715114147 0.534989673153232 0.14885991060177 0.441406657162475 1.72238457784016 0.151438726916257 1.01536314928843 4.1943951004696 1.41742134913566 2.75537368294788 2.35629689477646 2.47031631310889 1.21721122744708 1.11655246010583 0.850710470512647 0.645938336729657 0.896461848574509 0.665347845149691 0.219630660118518 2.4241623396857 0.345523884107686 0.415110010561235 1.40533576728885 0.709195443502911 0.282368253425507 1.07660617625404 3.33938402909717 0.501782725349996 0.310355800544331 0.753141208944235 0.467695582756786 0.365478275016752 0.431272284066875 1.29745124046249 0.309845111085987 0.540887419446459 0.619417780927458 2.46901587494175 4.72141890047346 0.359187860371105 2.30035158156555 0.647191345854233 1.05989791725838 1.8906826748877 0.197900437615643 0.758733423963248 1.34300076934319 0.795548288004588 2.08247138401807 0.413402565028802 0.726568812095509 0.252212206360455 1.48074794497128 2.55123136273015 0.558838760557788 0.911963424487173 3.10720232071408 0.424497651986643 0.892143599698881 0.573175567425072 1.51852241987387 1.54795269228754 0.862235727856566 5.89429059112581 0.966552046480462 0.705808127462794 0.980343970858714 1.13698003843959 1.44971280611724 2.63762281226647 0.828038285164361 1.91304381395682 0.812483765204179 3.1126511456044 0.668263076766111 3.12507093675117 2.29966882395277 1.79759159733846 0.281377758536538 1.23110573091739 1.39667941551978 0.46780808885776 0.428423232509851 1.02242456162604 0.590982415406718 0.454414347836877 1.638059049158 0.758294429569251 0.45553168783969 0.795475489939252 1.31827259014965 2.61354760965898 4.15057728314311 0.451402052133342 1.24709703926959 2.62382316688129 2.37050575352891 4.07765016669103 0.137426202340017 1.11436190013981 4.2966598372522 0.65251332563071 0.662087374223418 3.03316779126809 0.463611170091025 0.546726706687219 0.353467697237258 1.10798434841595 3.13339638822326 0.727649753065653 1.11494207866052 1.11881692113819 1.19648804484802 3.10958369985137 1.28758269060547 0.975220531260427 0.411971972744846 2.31883126015106 1.64329278885528 0.240546867890814 4.18344119763847 0.884923355218711 0.994239577330021 0.19151626788585 0.202948873146614 0.844800591208531 3.06539417119127 2.53536248748783 0.247325911975006 0.576691934581011 1.30000689375619 1.50541766511236 3.10545075514205 0.518336564207066 4.22742556811445 1.0178338715059 1.00576042266998 3.92282632973663 1.63038878027393 1.34419752541728 0.273398649375288 1.10970392695928 1.67723433531782 0.867174966289532 0.944081710313335 3.687195537258 0.916426166492484 0.610868420254407 0.981825301188208 0.600261962735112 0.246923316613677 1.44237674653313 3.50399589683632 0.781567750457056 1.61957275256655 1.53385523663508 2.46480130815917 1.13530899193982 2.10106467170554 2.83391838344175 1.97190104978119 0.430266347164047 1.88850976293751 3.09653299213836 2.05440000882401 3.47770917724399 0.523183150556878 0.406540795870364 0.925315251470438 0.374420304042223 0.275380742154216 1.58411568274383 tiglylcarnitine (C5:1-DC) 0.550773140896155 0.419706518239109 3.27064141332216 0.382790086214202 1.15971618636729 3.50782314050609 0.799908483661428 0.976943370432152 0.378291474427209 0.386218855324828 1.38614595430263 1.2165189950204 0.811861292220385 0.198522395812738 0.374514071645833 0.225882337750167 3.97321869311333 1.31589196552723 2.20970449799307 0.657936298494984 4.19590199412542 1.02090241781217 0.217590720749003 0.644160157358605 2.41078649980672 0.515566520299707 0.278859322278741 0.614099380502716 1.94353775479378 4.63888572805121 3.28877466832052 0.478891925983135 0.525699762385709 0.646216181390656 6.79303211491784 0.679941377893881 1.12614943525919 2.98704191055556 1.22312205218261 2.39367923926842 3.6518873967045 0.319003574840163 0.315573191684764 0.535364662480373 0.735712542930228 0.627942773504594 0.641823827551152 1.56512415097882 3.4858619093235 0.845901765469072 0.398256401234314 0.705196874456101 2.96815166855913 0.26957587476519 0.401007002533243 6.82501333604493 0.540023871722178 1.36077424651682 0.58706305454207 7.93828215600873 1.24500688524599 2.37110682313217 0.175595427841573 1.36726405153753 1.65085521507281 1.18705326267045 1.40879261649839 1.19414752745826 0.948475117751291 0.430292499883654 2.93614838882016 0.891417290024208 0.717624481185484 0.385326019558457 0.40836866073828 1.55181823488602 1.74501562798851 1.00094394718415 1.26609922232633 2.59468699502256 0.666156897526181 1.55493764541535 1.53205506367541 1.64969552390414 1.54089626292144 0.662549238453326 0.96921344101164 0.764560096132507 0.503371067010028 1.26804011116464 0.259477603649248 0.950946489304667 1.09265693021059 0.65260268754595 0.574919519692557 0.573731582740374 2.59947747990582 0.200271482330648 0.221013840702927 0.833359023545954 2.65809312984533 0.610442762071777 13.9820881381429 5.73197468424577 1.02168173242958 3.81214267402564 1.04587303547213 1.05363121067615 1.07044148697641 3.61443268074813 1.28684292573592 2.06504196919918 2.63740430395799 0.325100090951423 0.496740302079239 0.673424134112056 1.87214855452875 1.44073106543902 0.371681154063533 0.371772078585688 0.371563597802639 0.445175875733617 12.4007363810265 0.533209912709769 0.608381357890487 0.501275498881063 0.538179018547796 0.419456341299451 0.385716618393278 0.468925468523571 1.08810559296104 0.3175167705977 0.791259086735807 0.265260995074742 0.337489767628664 0.241559285613024 0.672422619331038 2.7973093335636 1.15484365420812 0.56293443023816 0.999056052815849 0.55502157574349 0.452165496618711 2.35726154707805 1.38379886419669 0.304985326987985 3.49468804415166 1.56959962812408 2.47403822434631 2.47955502937696 0.682604820775124 0.634265793898857 0.482572217070729 0.30327336349983 0.910982471742784 1.22694034409821 6.90802607973543 0.263539078310493 0.471369939330747 1.04408628790954 0.770149264170439 3.03375263526435 0.482938336226509 0.433092598555591 2.07983684159415 1.11335436433671 3.98815990556762 1.34246425361593 3.75198292125425 1.2052602257134 0.682611814969136 0.818776129031043 2.20701926550741 0.338920618319031 0.640243408711914 3.65762478785399 0.482041196340745 2.0979396987493 0.890438371869997 2.0319231155153 0.379184041186119 2.23533364592 0.743530706798276 1.73220549264816 1.63649209965435 0.264387527845635 2.18482910897465 0.486017664644 0.34073399762036 0.654103749183899 0.257965512705357 1.76912488375515 1.35133880978725 0.879865840598552 1.13362326957588 1.14758179777149 0.682926015684749 1.16757120425764 3.51626943679791 0.610952531212263 2.60080691478301 0.548769842326656 2.08609799027215 2.45722660300874 3.20172062552843 9.70596193167802 0.692873104607049 4.62512249927301 5.22008522694411 0.509055732696969 0.527562101045121 5.93753781236138 1.08485921090965 0.217322251301929 0.792712534052982 0.941879861805487 0.713964903672463 0.96713320630801 1.57658359985248 0.430215025734599 2.5563211507924 1.16833410941986 0.972263447615773 2.65484889985363 0.609454428656397 0.699023691218171 0.493033379252907 0.495713769604255 6.82984605509972 1.29720159607507 1.42736354663742 5.52203561174583 0.620575466142855 3.17855719999817 2.43458693500699 0.209834966612139 0.57127527560487 0.188698243300571 1.61264539517062 0.716664393553613 2.58677252648311 0.228957362048266 1.38553638339374 4.21797190432265 4.27758207484917 2.4678117776309 0.317329541404149 0.429445395385823 2.59566187806484 2.96827245290957 2.1516066874179 4.67290817779994 1.31645150104819 2.49271379838805 0.41140467895439 1.86120344792244 0.720443141372298 1.51641443181992 0.576769753016179 1.04258065314474 1.43294733452611 7.58266827963541 0.331567568352779 1.84737377430113 2.85557285273536 2.44267303030719 0.546686648540944 1.22517700018481 3.78612669336835 0.852270517131875 3.51908809698472 0.479629544443933 1.80056082675677 0.832608223719518 6.01274691858678 0.914055881996111 1.78719465299248 3.36098837645658 2.68056117108633 0.858503958041292 0.849224007624748 0.731863315156499 0.460701372395369 3.78374947442667 3.19839488627575 0.407610866717832 0.512348653039287 0.717596504409436 1.37455522978752 1.50034796115209 N-acetyl-aspartyl-glutamate (NAAG) 0.694589167006088 0.276293902994653 3.80927024012701 0.429778114283763 0.678413557526281 0.961520873782769 0.993149937571476 2.92132590021598 0.53767659276029 0.748735811983111 1.13995650410262 0.889636032127992 0.263827355770953 0.854584435931843 1.29368559846007 0.167939808741326 0.913862797181013 2.35457152542994 0.945928319227569 0.589788376050436 1.52690840123841 0.894773578949385 0.482816954904033 0.41382073393288 2.20496962700311 1.54177130420224 1.13610001224415 0.315297778644031 5.41698422336668 1.96323505526111 1.73656079222171 0.373372547941691 0.266214549219414 0.588543970254204 4.40811679089901 0.761930344926964 1.51061701370929 1.12144034556832 1.00374904316522 4.11444535234426 1.20484635253333 0.635867206742114 2.24652894909348 0.539482397155358 0.434523348434456 1.61809485970449 0.570076121985086 2.23757572425833 4.51034131202351 1.79297302204864 0.839596592627021 1.4648530326769 0.931482717002631 0.385224388687735 0.217799334151276 3.3148504922233 0.367119700343086 1.76409181282604 0.707110687979823 2.61158463500345 1.34431892104853 2.03273853401667 0.712752993778804 0.943304572066838 3.07477762701643 0.5521313572769 1.91843144898311 0.940662500322763 0.788367721079851 0.269353050585012 2.48560229157244 0.375741416806808 0.815342340698983 0.837957375353269 2.12125376799245 1.42733511414966 1.85180326394147 0.76200197738913 4.0795195294247 2.90663624785832 1.754139065263 0.727639218939623 0.558939772925095 0.291798166375556 0.699652582558495 1.46122809691706 2.93463287946672 1.93589394397509 0.875841785547401 0.342199099929784 0.374885159003243 1.85772127142623 3.48678339426257 0.382731412417238 0.792333327502784 1.43693552995112 1.46256829030805 0.80705213260668 0.477148828101248 0.26232473993668 2.08861102157053 1.75080232522304 11.0083943250431 1.14065866881897 1.8570465935849 3.41508346431246 1.79593160932322 0.709920179780821 0.952312770652014 1.08548168249661 2.12177351981096 1.9347944689744 2.87885118189398 1.39622580217946 0.484742702026449 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2.39713479744812 0.862644242962971 0.647541028089698 1.65029279156691 1.46353935339887 2.02942354530388 1.13382059834603 0.975513249163572 0.499902426753425 1.43098666456399 0.700263478092787 0.97588296765047 1-ribosyl-imidazoleacetate* 1.50759630965029 0.419586674522618 3.08175428029096 0.592800470422314 0.713090879666942 5.93991920677871 1.2917447953105 0.828471708789191 0.218729725379582 0.764769271350773 2.19822966505779 1.52806102403319 0.683268839166338 0.183698394564087 0.90373285247277 0.371074811578395 1.32785257062834 4.31201291616557 2.68478462492555 0.566350315645077 6.54715951563795 1.12419511308802 0.430809740405988 0.430160076207013 3.55084454885291 0.968459153678008 0.811180533910631 0.382324752059923 1.53695768448462 3.08525411247078 0.452788779972115 0.30667713997021 0.60812366521612 0.475625469757752 5.25443525807063 0.454642543014693 1.33389438925577 2.31573037416744 1.01163816157885 1.76863833714008 1.34184372012209 0.224803968793918 1.00968215821719 0.593859972243214 0.422322917576484 0.285707358411034 0.508466228708088 12.2790518057539 0.591402407087649 3.27520903033237 0.50411984668626 0.889884839425737 0.974528723249186 0.467318589889835 0.739009384784946 8.58154118225447 0.609396995361503 0.863299727427309 0.286998215468259 2.86635934200468 2.04713074229101 1.53330098644381 0.822158807258595 0.811906440176122 3.18958393156091 0.471959131915426 4.78100678671238 0.353111771745859 3.73052665156821 0.744077291344305 7.83736603231904 1.05669254904687 0.328316449561783 0.348612029245405 0.834813237609131 1.24809489771148 7.8861530677792 3.6181630803197 0.677151654817988 0.268099530658512 0.187020328588701 0.341890166438476 0.406094457785995 2.42123332789025 0.342359011330272 0.218557669528325 0.734785983261215 1.07790741525665 0.240422784167473 0.209326537175895 0.198161894332001 1.20549018828869 1.83923235631511 0.415249932302303 0.5921662883288 0.377714297899662 5.03360843768905 0.29981155648617 0.696667286924602 1.38430733790455 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0.864610740433154 0.45565998024717 0.419635457760581 0.379214893668608 3.05708456764176 0.598906846508362 0.987470010723549 1.25868407361654 1.99300208833155 1.26007454195607 0.445048019356721 5.51293938872558 0.746359879496639 0.462342991732848 1.13837146361691 0.964297972691319 0.481772449856236 0.661418330287059 2.3523265660953 4.08420483468179 7.31680827924577 1.22941325449339 3.14549147943787 1.12177523079292 4.78023998431926 0.322617574176082 5.22026333016583 0.953074614692752 0.163636214923172 1.59761043926239 2.19927660592521 0.742939502650507 0.180494182964017 0.5305028149681 1.73315305930786 0.285804340656564 0.575320004895851 18.0604590824019 0.373529163466788 0.61567747210519 1.00502321293416 2.59008993350582 3.26824295922043 6.52038482087642 0.565348360518061 2.99618263860063 4.64933264822582 6.84529725204313 2.60107959934648 0.923185679811948 3.39935419172163 9.42623989025816 0.332805968030329 1.83617274173774 3.4052353469905 1.4407571392224 0.389705334636946 0.230737996913511 0.505379155302168 0.4607868940764 3.75286966667027 3.93590671242749 1.33790542303101 1.10992674627195 0.732991811718902 2.53984699590192 2.65697788717167 0.209158278822203 1.85723746073607 0.928714252037576 0.656384601205793 7.48399690708429 2.11748902450175 3.01904970836679 3.49062500091286 0.643310109201424 1.58215287147778 1.06546301573303 0.490059758005928 0.694608166898265 0.34422621167193 1.70790291376146 1.18011881493538 2.62877124371259 0.40404293275479 0.660103227668451 0.99634417830478 0.862127177025023 2.8881049815281 0.722482967493129 0.248324500256623 2.80999892793723 3.41821344097973 1.9646350736291 1.13377094137336 1.9643117021056 7.00405572740044 1.45184553999977 3.51198008241738 0.631882562679888 2.89329791339193 1.26279121329171 0.897717908443502 0.534528746618402 3.53701727598489 0.345081232854664 1.14318464572415 0.876352310791875 1.1680611759331 2.04289448769859 0.052430296201889 5.48075209147179 2.00896472329242 4.28430286854203 0.439645640896361 0.993115721143327 5.52902997014291 3.77815252911877 4.25594899902346 3.87389211659953 1.15187682553741 3.42701983783517 0.394305272650101 1.19945917792357 3.13386412612132 1.36691713597407 2.91147565789455 0.823862130974523 0.53002988046354 1.55690652342895 0.468547810640413 0.216107407252695 4.99667076309545 tryptophan betaine 1.67619659853907 0.761874400501734 0.159870600605032 0.0725112521213016 13.3772159300524 1.26121532133107 0.919571128163506 0.0325141112668782 11.0051388069062 0.291137109864974 0.418169593447945 0.271785213605844 2.06267256327012 1.45037906736516 0.269507396886298 1.56799463218476 0.910478307385819 1.59154993359404 2.16459852062274 0.69881640596178 0.918772043090091 0.362653102634103 0.992181620305468 3.61618912786837 0.181037869844315 0.00949725153102634 0.483597174057404 1.18101647236774 7.62767450011068 0.886246495240906 0.726478086032613 2.28127490223567 0.172308068324356 0.843297517154874 0.983017782040877 1.95688214786394 0.448882904154062 1.60265900538626 0.28017053419907 0.187224876411127 3.7953134914779 2.28907336014167 0.591648989153693 2.63781653508448 9.94425948129565 1.96416605179665 0.257033313657493 0.579281985538257 0.092339887847709 0.877107928133993 0.622995831181288 0.9528843245038 0.754875212130156 0.0350151258024054 1.04835525344942 3.71792970191102 9.95679914041172 0.492333431712536 0.692729561720652 1.72073729063676 0.35812836641334 1.65651968198923 0.730966760126909 0.177253929019405 1.46845643031063 1.30325555227625 0.953207315723456 0.35407538921272 1.47979423374899 12.3415403416218 4.12132987161514 0.530896111562016 1.74630672175902 3.70880413930495 0.503599940972478 0.475167675053494 2.53962351508891 1.15065354534052 0.238011141444699 0.403563878846012 5.3500148491109 0.613575315428319 0.798376005312477 0.25275188150225 0.069848096362429 5.86538155758873 0.330024164391648 2.67950435327972 1.81616265771416 2.30635984652844 5.90814773481886 2.00768150962886 0.402778259425957 0.366655260827861 2.65629814432229 1.45802866524017 1.81876448018889 0.738205932265919 0.478065188519147 26.5090270604294 1.92301602966133 1.30642837379178 0.204618811333284 0.253968032907843 2.61118184165867 0.938342064487567 0.962194348114808 6.65181251383458 0.195239707075924 0.40880709068103 0.370452943997639 0.529870692835535 0.958666623625765 1.96731111193094 11.7464219176566 1.32367824466908 1.85349931749428 0.346777281782631 1 0.434349959418579 2.25102486534347 4.59736847930348 1.35380828967756 2.31642016527706 2.63326182395042 4.46683677045673 1.3246938869623 0.334936084261787 0.168543311443961 0.595577547406478 0.11685595440124 4.23759472072604 0.425759518187855 1.38319200546005 0.868802571386409 1.16449559138198 1.57358518409208 0.0276642625249022 14.2487105253449 5.06776433262008 0.126888972921125 0.178157326791116 0.566393879583856 2.70395548955951 0.305631963402937 3.98553770382941 0.963903010403601 4.76528259425957 11.721212738877 1.67884767210212 0.0786945694680145 0.637491975946285 2.91968115915296 1.08642053419907 0.576852541872648 0.661325997934037 5.25187126466465 2.60530011805504 0.742824928060208 0.752879344056666 1.15675616099757 0.186654522983841 0.651773223640522 0.933661827639637 1.98212452962444 0.266375710174869 1.09872980151996 1.9506157308345 1.69508097838117 0.206657197668413 3.32943942300598 0.469992344868295 4.68489873090829 0.212702261491921 4.02618027374013 6.81201828008559 0.146146425145724 0.705288312550727 2.59753965911606 0.472894193167564 2.40715478122925 6.30832712314617 1.94172950638235 0.49660859219361 0.341626946063602 0.645692005460046 1.99212176270936 0.256443222902678 2.32695934479451 0.341293348336162 1.30018870360806 0.950569431122261 16.5532515863646 6.4767983103372 8.90721805135394 0.245476555006272 0.858919888585553 2.17411348041024 2.33824669814801 5.75065123957795 7.76382664354755 30.9201802184018 0.517277263336531 15.9918221980373 2.51036624732532 3.0042648306648 5.71314736589685 0.0855400095919723 0.0476128901350255 1.99804314542906 2.24049878255737 11.02371329226 1.0332015974323 0.402610307680956 0.604080369659854 0.0579381871172434 0.0869496605917509 0.209915793551243 0.432441525861433 1.69893436877444 0.343991274994466 1.93158184534789 0.0299163469342581 0.573573655279274 0.0700843909097617 5.1775894635874 0.761621320002951 3.52122694237438 2.23947493174943 1.226921622519 2.44634259942448 0.358478473400723 1.97801326274626 0.294286873754888 0.125997103962222 3.67164336309304 1.48203266804398 3.31632009518188 4.02536394156275 29.9971604072899 1.16493423965174 0.680625322806759 2.33128596989596 1.12580572566959 0.908060669224526 14.5397948793625 0.292073065004058 0.0396292333800635 0.632658452003247 2.45435669224526 3.88130662952852 0.397620545266731 0.651426621412234 0.47635560392533 18.8069935623109 2.62798162768391 2.48995738950786 0.141658673356452 12.460017431565 0.881085645244595 0.535352320519442 0.9129888216631 0.0263020180033941 1.00231932044566 0.121063878846012 7.43663137312772 0.137099166236258 0.225884398288202 0.36558806168376 2.07509010920091 0.165128753781451 1.32384490518704 1.49389415627536 0.818925330185199 0.22803133992474 2.06106655353058 0.272163081974471 1.71197696082048 2.00346805135394 0.0425819006861949 11.5069658931602 1.93494143363093 2.73374843208146 N6-carboxymethyllysine 0.606878333024827 1.06405186934166 0.236382078241227 0.451251881402737 1.32627481001706 1.90722852311246 0.317533040237938 0.436085074163074 0.318983720055649 0.293705707989544 1.18628588275793 0.749157190204058 1.09590987023451 0.3188664595623 0.759100880040003 1.14392804226068 1.03223909749624 0.40567440278812 1.28061859935691 0.339348517450455 0.416614806817525 0.650710305438458 1.04142561957513 2.08819329219724 0.742195267198973 1.2556069361257 2.5814914362149 1.29964495197764 0.732405691154287 0.811400735223293 0.146327694499562 0.405391302454178 0.447801072598484 2.17711024915342 0.181386906860828 0.843233608867574 0.262846096440055 1.46445290022891 0.529333968773531 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1.61932888469357 0.185358687285529 0.177369897388693 0.350190087635467 2.14138767742978 2.68748989675214 7.30959869271301 0.782093987635719 1.32422107623356 0.922659166462159 0.334777033359773 0.482652566371533 1.22016076413638 1.33685170651709 1.20863573279014 0.470661843351707 1.48800383274298 0.701536028705369 4.62258453853389 0.765329087386708 1.03735165500623 1.24670853983046 1.01175703960808 1.02323516675699 0.843791433785931 0.834589835357892 0.749465417786574 0.938772433398134 0.818096309393487 2.62252423313731 0.289883015906386 1.24868856701814 5.84653449175533 0.826435205620463 2.15352413849134 1.2355151881654 0.456521903003795 1.37133801761085 1.0723438613713 1.00876354672789 1.17790678293324 0.318662091273893 2.66982209070434 0.836806058682176 3.88962772306087 1.0881321492257 0.814293719109189 0.930391658423533 0.577730724678225 0.822778353377898 2.90424424355675 2.68014771471862 2.3371758480237 2.70095642683825 0.334199106642556 1.58283071856393 0.331724910232905 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1.2741053519725 0.686127932678463 0.729570937929378 1.34570870783881 1.61634488047037 0.744353476312095 0.643986897252407 1.21848872548874 0.622197309285581 1.19060891406256 1.55000884687645 0.915308631270715 0.52070675328616 1.27918247913366 1.65400198984144 0.69424231502986 0.587404667242625 1.64599524680589 0.949263373119574 0.964396517231944 0.943339853911036 1.4306627867158 0.899647077562559 1.57325020572048 0.61425657238247 0.581347221076805 1.20771638956019 0.9732000348292 0.731029930032187 1.32978568835798 1.87157203226884 1.6827678908039 1.48667305925401 1.98558076312264 0.562297872955445 0.834793330912175 0.783445645881251 1.07122786088572 0.821676896943378 0.786091089201348 1.68612802543778 1.50754348636148 2.24783619063807 0.579452011641897 1.4698626096022 1.16415955287123 0.605277057100571 0.892489659869126 1.48831997123943 0.939318485334873 0.695174119159635 0.773888086016131 1.29334925314299 1.38938714324628 1.4971654685549 0.538161817210257 1.28302468220687 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0.977427603277433 2.97829319465696 0.633883245127073 1.9817953183093 0.665344424716837 0.651624460567315 1.12335131536947 1.19087880243956 0.801055976045156 0.645606214991543 0.488257151068415 0.820185318343381 1.04652724056966 0.536634848799816 0.190598223606563 1.57552625570387 0.932773538803371 0.56077598790444 0.349658023248285 0.627215238043309 1.4638195298771 0.458238623777863 0.877273455311289 1.04147227778895 1.37457955773052 0.221071129574031 0.484324503619694 1.57006235211394 0.57423241242135 0.468675701986657 1.80028012445432 0.296809239336016 0.624404905926575 2.51859374343281 0.890293676298359 1.66805138568457 0.87600119501592 2.96448462666544 1.31047127020423 1.16159182481885 0.261699398970605 0.680661529915724 1.78753707446017 1.1658584405951 1.18971559302665 0.704959429663885 1.16734425886862 1.46489867923478 1.24294151124076 0.614242726817316 4.49253058252482 5.1219472852578 0.814998585746368 0.93831014298161 0.931648951578 0.35744607377065 0.47551182918088 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1.18754442441058 7.4374586630002 0.639102263277925 0.877008532231196 0.529470364973119 0.932835779934849 4.20618826893681 1.72032037718554 0.27706149847825 0.87826407927922 0.934354786035572 0.48859579069276 2.0181951408271 1.03702834654745 0.654923528265589 1.06343188348523 1.11489970717624 0.31648293142106 0.728313340633345 0.766469621250168 3.02902989436939 3.35667827533118 11.092356119797 0.773032770464045 2.00296940307314 1.05554869464273 4.07014871714652 15.2436955071998 1.98059459414956 1.50754288756611 0.673659309023747 0.882841680319883 3.5939341297481 2.56891512501955 17.4596578325553 1.33227400839227 1.41050350867082 1.76343298123129 9.81867842352689 cyclo(gly-pro) 2.32125498559553 0.686365537678436 0.959738186274221 0.527733755942948 0.626629707963403 0.819210670500003 0.545160511137688 0.225051402447287 0.400977382923194 0.393571895675125 0.900320492049558 86.8823252169507 0.660796870489398 0.461755990078886 0.519335568136963 1.35883326754606 0.929780427597665 0.373614785052345 0.764470746263381 0.948886231213805 3.3789730115059 1.96677840684816 0.952161848485027 0.83072246213304 1.76133357684445 1.19449566687679 1.1221198428175 0.208302158019076 0.664013573780923 0.71153653550451 1.46857233752997 0.550474552106469 2.09071574593935 5.03958430295925 1.57961046076624 102.146586818586 0.879603391088672 24.394384908595 0.481377291017386 132.439047596604 0.375664991545844 0.669689935724848 2.76739287965641 0.614346143196319 51.4618031212627 0.239447033386552 0.661497946847808 0.333158555193562 1.80583130571053 52.143105002386 0.607983433388909 0.39556613388791 2.08262096512882 145.121913643889 0.597160935318342 136.232291930552 1.10822203500669 0.777281591148764 0.82166149205545 0.97788369202128 0.463535192265773 2.2317646504339 0.600127254196148 1.71809071574594 1.05679602212809 0.509809177619757 2.33326165465803 1.22828577993272 0.715819581828572 3.29030158066208 1.31944927211778 1.46754723428322 0.404058584061412 0.354936107789017 0.618587949734593 15.1068699591726 3.49723104295418 0.362079427827429 0.666311218989154 0.462206682023577 12.9844555464566 0.444011099393775 3.58399366085578 2.00735541036533 0.803218470710915 0.449086538744779 0.430160422766718 2.62284743046678 0.969756508521907 0.945728441901979 1.64409770294393 1.73776503926617 0.901419237770931 0.969659300455405 0.765130582836001 1.04974401875821 1.07934534785759 2.70774836660991 0.450037999516905 1.96737932944108 0.770315013049447 1.33469621006369 0.436157865899999 0.715460206552413 2.43917426166055 0.790631498948386 0.453758417334849 0.349960822203501 0.694666517417918 0.156758317181084 0.922466257018128 1.57473827464519 1.24023058931654 0.828589776067963 1.12724535905125 0.399045004389092 0.369069571518626 0.79884999911629 0.274285815281108 0.283134695031784 1.07969294033781 0.761984576320115 0.594462675048162 2.14382375293834 2.62607297085525 0.415782466021362 0.890019382699321 2.1359616823476 0.999513959667489 0.296829249612641 0.82936154920201 0.960975379847884 0.383715586871609 0.927571153358981 0.686851578010946 1.25925685906009 1.00048604033251 0.910017733107889 0.325016643199265 2.00468366138601 0.564437165294953 27.2779856132062 1.11863213521937 0.750455110493169 0.559538467883044 0.506898827022664 10.2579283488179 1.36952026346332 4.14102533890267 0.848564560884652 0.731579071397852 1.20051962130094 0.981009078644271 1.06844626161342 1.9008006409841 1.0273920548607 0.960577710484921 0.708399366085578 0.57125351274604 0.682483106416322 1.16254366998745 2.75721548966354 1.53716293839365 0.917243532717879 1.22549914869299 2.17622349607338 2.10513788816948 0.462424663748461 2.21243202799592 54.2489852066997 0.381750805648672 1.26236162579018 2.60837815705289 0.641093089979321 0.658511008077107 88.3700976204644 0.470248440252388 0.767790549019377 0.355539976080924 0.855816871785506 0.990299813242684 1.90005243344193 1.71568113397628 6.49139855896406 0.790216155391513 1.14758541054207 1.86966460271358 1.15990432369697 0.427194103888912 0.892116720376578 1.36866011935972 0.315837845162279 0.793373944703339 3.70345942888788 0.575333305840143 1.00583248399013 0.768588833444288 0.319257801683762 0.581878648984618 1.91447162997308 2.70284083210105 0.515529725048457 1.91977094244693 0.991908164888446 2.49641508433536 2.73235673592987 0.511432257760444 1.11981925191029 0.96984193379247 0.955299017903958 1.80515968634197 1.62161023689311 146.306682612717 1.72020278191812 0.442770960121127 2.01772427079222 0.903628512009615 0.724203041139632 0.804832713754647 0.411926546050112 104.728524381551 1.3161648177496 2.02287335261784 1.26311277903134 1.18051243379542 1.16307978720271 1.03016101190652 25.1941480743966 0.746089584597529 1.97472590270945 1.20348299447976 1.71966371900388 4.39050247733285 2.39665309681334 4.52999310706438 0.735219955343203 0.652625501505252 0.701762706272571 0.898382222117486 0.86860415107901 1.06803091805655 1.64005914963562 57.2633484349501 0.57458804399696 1.12624087569739 128.909001466958 2.73627156988082 1.29328262803481 265.771779025445 7.20167728100201 63.0682459540824 2.21381356081985 1.10012136279818 122.511508845934 2.01084311796346 2.41382063049741 0.706623109597676 1.73271611120603 186.689994638828 1.94462675048162 252.245641838352 2.57990797636371 5.00369685222607 1.0828978608334 0.620482034181891 1.06764797718851 28.6757462928378 1.79582771195777 succinylcarnitine (C4-DC) 1.24286984294228 0.225467854549614 1.39212753163076 1.23043242428286 1.3036709187608 1.06033387112706 0.770446183946251 0.248238191210798 1.1494711887552 0.741383833955175 0.553537394571345 1.47923035998676 0.728707267493748 0.44349786586581 0.356508026181486 0.272897795507834 0.747893159852976 1.60315848394157 1.22098539292157 1.27955442258803 1.09716436559114 1.11229444986474 0.278347939256458 0.861347649852959 2.29384298387139 1.79162844056571 0.575212850208561 1.16150621524342 2.41195427078116 2.39974664196628 0.735528178716192 1.35957154418429 1.38289330715416 0.85783806921076 3.82473897364002 0.573435878062348 0.947848796202749 1.97312117341855 0.732093461733752 1.21916128439699 0.578293697762235 0.733253155277975 1.16713554654804 1.39105136652173 0.49908933210178 1.56211170975082 0.33450712157893 3.09542309231972 0.837963500499957 1.4615497124161 0.257434983857523 0.256910245057179 0.842317376860544 0.414372782900586 0.456448239230984 2.78027585179075 0.581442823746337 1.27449835282619 0.515633161135363 1.64153442775224 1.08141977544368 1.06175662725349 0.442229342742124 0.83490587454445 0.693816296363047 0.876751194439294 1.77504336720105 1.53631598009874 0.748909364715995 0.304303793958572 2.60313872825358 0.749433410334304 0.647759202424751 0.905098180570454 0.98334907434204 1.11437884824339 2.74474368727786 1.59999168181558 1.44204876882206 1.01224991291901 0.634590823309632 2.01263358917527 1.36926084266674 1.64954241320928 0.56014619209114 1.05534538661362 0.978177589771406 0.419858278932985 0.85369665314384 0.362730028125861 1.10489542482527 0.527952738848867 1.4392171202099 0.196356288634068 2.04869465158072 1.41477274893467 0.201269562896738 0.300372758639214 0.795357413321919 3.73414943964897 0.704152680274985 1.56958594504106 1.2905527953432 4.12041750353956 0.649345202920376 0.755499792911867 1.32386885689084 0.9405218620949 0.806705496413649 1.85678893820109 1 1.2165819540455 0.651802533233746 0.62990976502862 0.968151751411059 2.5834398811886 0.747333068768857 0.313416018397051 0.728089295709723 0.426638292415375 0.891450466078271 1.68814121504413 1.06923190231679 0.432857521631612 0.485325509618767 0.621414472601114 0.358582373420628 0.132261904968209 1.85961088226476 0.383894955194446 0.437588835610148 1.53474626938094 0.213148970018144 0.409323644959094 2.40988130990609 4.07207290888642 0.940705555334122 0.626102116111457 1.16206977223771 0.560845612764254 0.509723091106648 0.674581534670366 1.81568255035534 0.549860757058759 1.00383780233568 0.400511568341683 0.893733461109888 0.931216933050746 0.461615218118392 0.791911258835905 0.831226464303725 0.512021336143031 0.942661021854297 0.916359269316817 1.29713351899059 0.250674379472107 0.252683221008961 0.876392126145267 0.852399709556728 1.8326322374703 0.472434403317569 1.01040708847949 0.667425469934096 1.20622373489946 1.48015818414034 0.819497824274888 2.61594595952857 0.749101722730652 0.494839779637431 5.2378966084336 0.662529525222295 0.224849882765588 2.23252756698305 1.10767508478483 0.899809894826956 0.813550669007311 0.588794019225404 2.3618105221567 0.485036799301273 1.56777223424701 0.598903039429927 1.70045247457322 1.65332649393726 0.476965734279065 1.84069567749013 2.04777029333731 0.57685707799511 0.335630423066325 0.928879176638379 0.605619973347151 0.99165582125608 0.336527054028341 2.48637221449132 1.06638950938309 0.779191021906285 1.30884829537873 1.2078558320004 1.41146869676579 3.73272495056746 1.07124420976382 1.13392450207868 2.16450041504274 2.02453483153077 4.21604508455954 0.572705610788685 1.43324882289026 2.36494959700129 0.87120365861478 0.798744647334975 2.6609002008495 0.341377595316862 0.39513455529773 1.0828920940856 0.517620860620155 1.55004306393391 4.29268190396309 0.903745782420557 2.03023140149277 0.881047883282009 0.75892480534582 1.95521350873149 0.605619973347151 1.80215614271925 1.12143440158461 0.788863684019901 3.61304949839615 1.52176054373199 1.59341269112328 2.91587993393975 0.0963176437356273 1.45574673901177 2.23047228224986 0.392704259083717 0.664402849671345 0.208011797958232 0.858869524078544 1.09580572880293 1.80319037031517 0.360080686388851 0.96893019483614 1.19380711170109 1.49416808624571 2.06634861164303 0.0834601567631172 1.68285188952758 2.60483043900951 3.39417276522444 0.536943309840239 1.1779543851562 0.945271198806341 2.51559191680429 2.23121641316422 1.06692291295887 1.29900129798336 1.02820938949725 3.11695228654759 1.65434304539129 1.32043275354433 2.65208188559377 0.278225592627316 1.88638642472303 0.637215903675425 0.265354935196145 0.98167573291003 0.570023689496039 8.08814641390939 0.413228685952146 4.67584208620065 2.14346407324161 2.85407166462467 1.25729842699667 1.29042767598592 1.3071368289348 1.35017095601933 1.45718786446212 1.73423435444824 0.711965881580247 2.05162819795199 2.29931634921818 2.71139435299255 2.75904229970072 0.890869926124125 1.52172865735839 0.983039568563501 0.638135756235606 1.0469953158224 1.71821942330721 N-methylproline 2.61898320701976 0.22923058549823 0.790161653827075 2.29537007144505 2.40174242844082 0.742066003696334 3.84427869633655 0.583729167889029 0.121290952388745 0.834733644877979 0.383055535691378 0.738802532702288 7.59409582786868 0.388003448803022 0.717492965745488 0.254607150796715 0.795616201418486 1.37078076947869 1.2133172543485 0.175381144355659 5.58238465183209 1.00570668955502 0.1829295822372 0.514120175976829 0.798599143006623 0.959637396531615 1.03212680977855 4.58293413869291 3.43904859035104 0.47196979648464 5.14805551896629 0.925920166737349 0.34783322902003 0.997949594931992 0.539132586442248 1.12410971692205 0.637336773336851 0.618095059780428 0.928501977492736 3.01622993249665 13.647359348586 0.308464005220396 1.58139398433935 0.814350105218869 0.257151714334818 1.07319466941693 0.211689948738969 9.82773053518737 0.756710850123436 8.10499357711517 0.4310740696174 0.209598770624855 2.15795966252936 0.127632291131483 0.555178181375686 0.866683168750959 0.596031779108813 0.714529823042268 2.85219698462079 3.69783999589919 0.474123173835385 4.74440742525085 0.275918435464992 2.18616041671319 0.673885153268231 0.361165653473045 0.497602300793158 4.78338103297563 2.04908848736429 0.525778735798707 0.931037590849986 1.12041754130576 1.72468656059828 1.12864537927928 0.838592528913378 1.6023415662039 0.705575393114093 3.40908564500382 0.149533202865613 0.559243914035231 0.194827808013016 0.443647988844639 0.176051142237449 0.993399558041878 0.290567982997188 1.79455438450827 2.0720342197056 6.98611700381576 0.588406225022554 0.634071584631328 0.44424123214518 0.245291820646693 0.596250290089826 0.268945521334022 0.355128349661688 0.427211569347312 1.24888039113918 0.273482358967525 0.460405077952911 0.492605116483892 6.14643237202665 0.895972952011029 4.15028330034574 1.70477430672487 1.1660932071834 0.224652974818621 3.60337644216569 1.60526565357249 5.32236056228472 3.32520500208431 6.31403391069835 0.935299775458948 0.403694923954653 0.209567309383071 16.494306916528 12.3371130820997 1.57240963006914 0.736297566934018 5.42230741267539 1.27847646947731 1.03453413721025 0.22127134335615 1.43984416198236 1.70801969654547 1.5071206825209 0.301287677888235 0.918809112441303 0.383781946834298 0.604731083679761 0.409951914023297 2.47763354325274 0.466795145458068 4.23197051611534 2.83850384075766 1.08524179365602 15.0619441112737 1.89941036389356 1.23183789070817 1.85171286120195 0.300650587742104 4.11315876382272 0.803534580108594 0.653128779812804 1.02293262349057 0.827288360090909 0.358035892756583 1.29343873090413 0.945887477783888 18.4968186627363 0.38063754036735 1.47997469358965 0.138917474721841 4.75967173267998 3.49095340129022 0.304862597094771 7.9860835536449 9.64623921989139 0.62794595428772 2.69458583670947 1.00533918970487 2.07983470914489 0.919442947976215 3.4274775434086 1.84889029962222 2.36074146914416 3.32325322981741 8.51874045822575 7.47092850170628 5.19139437398864 2.57601628173506 0.420391350726036 1.40762757917768 0.452813878096186 0.374526013339024 1.46514216458225 12.1972854915127 22.3462717388818 1.71945640036925 13.6425974003431 0.332653903106065 1.71348608730549 0.649195401342834 0.447848697463907 0.804049351116409 0.829911847951073 1.86568020606029 5.25562512086134 1.29291021820451 1.4273006191265 0.542630299038199 1.00415640974434 0.36888776102547 0.519124321537869 1.30945711367155 40.6718321264301 0.341233781526447 7.63437824133286 1.15661677377803 4.21345060300261 2.2324347502434 0.673442887765908 0.226948198974996 0.538563300696514 2.33705531275051 4.1824109237771 0.65532274939792 0.813511590800624 0.843402753889283 1.33050613091909 0.278815129855824 1.3250038490298 1.23551307002142 0.625432851991402 0.871955367708236 4.01616493067814 0.198703236322112 0.129541030205595 2.71135992212077 4.00670865778116 0.535609741015216 0.424116253266251 1.93523658175778 2.37266564140386 0.670066228626132 3.69767762696171 1.05011088731641 0.726701526566352 3.41279599219942 0.777155052119435 0.440692169016662 0.407318119894272 1.72038224685521 6.43068342586525 2.74092770342247 0.294856746931105 0.658085552699433 18.5591929251261 0.13833263916695 2.29355029174425 1.3169966917781 37.0821113096926 0.377509406956496 1.55075525513485 1.43026855334068 3.61215186847682 0.52189752151411 0.934194744544209 2.32692081503782 0.215537170417501 9.35580350067791 1.72337377700073 1.00205040506801 1.00536133914233 0.651043478080058 18.7497594525889 0.834568021329275 4.17429907653119 1.33365632336154 0.929793244493898 1.13552137832062 1.33822308533708 0.859570035119967 0.230735300751842 0.974420202312058 1.12044285494858 1.16990435692092 0.871139635568525 0.326752750530705 0.196202881253069 0.735909364140278 0.426965394170937 1.75045187112571 1.06178951724081 18.5767679161149 0.33855975678652 3.00714459487278 0.549680238968021 0.971168845704216 1.12486189373712 0.299540855722271 2.86150860813025 1.75610440756628 9.06118343630712 2.06108444188254 0.55328634819874 0.619274494723868 0.670551075291905 0.851541632489482 0.23496376397234 2.19748971836674 2-hydroxyglutarate 0.824700633629298 0.944270186377276 1.07241593263776 1.53665119058913 0.887173682872544 0.675459569390952 0.492617790894732 0.771980479501 0.504748113538957 1.07492819055898 2.47516338379177 1.13574061966577 1.36866330865447 0.417482451824488 1.43114812491374 1.22211738137806 0.976177430912294 1.58544802545794 0.574032303891034 0.996154882367837 0.757866434071983 0.596354333289452 0.714929573183363 0.354134721056756 0.664771196502058 0.441102775324273 1.9988453615526 1.14182024461175 1.21412659691278 0.541365106237769 1.39219734070341 1.02310527140255 0.650899355486212 0.772244747069216 0.828619049965447 0.533510132749101 1.0990441996088 1.25969485675987 0.729705022971422 1.3189564912131 1.27037636555608 0.591619580216606 0.7371805101933 0.633849929851424 0.810446854884991 2.85659464027129 1.06511891182558 1.37647415583305 1.82819960487341 2.41068552919335 0.669934465075129 1.38260575176646 0.493984235630574 0.466412155915904 0.640079584251712 1.82993376886001 0.814726126379223 0.745662077285271 0.840859198092567 0.786453418918763 0.598235584976364 1.29721055530755 1.06963548480964 0.497506495760565 0.637104000074524 0.310710019295455 1.08167020044867 0.830586593103205 0.547438847675732 0.671874061549829 1.48506312146086 0.50985990141692 0.507932562250579 1.46656046934705 1.52104273412501 0.707375148895653 0.728268466431768 0.465198682388381 0.785565009208916 1.62134673988692 1.28688205699207 0.72472071110039 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1.37726401678369 8.10224360223662 1.47663499623333 2.94551601919887 1.91653655533844 1.98695283069054 0.625554183554173 0.992791967246511 1.04962616435236 1.5040972504651 1.15287780762841 1.32224586248428 0.83148824070608 2.18905476295714 1.82221852868664 0.465056987903753 2.31009519270818 1.67026418666998 0.674924660454173 0.785011959455766 0.568839617777902 1.32145845299531 1.12956440712993 1.0632852184951 3.38263222755252 2.46597873749234 0.852884107884906 3.90232445144255 0.933045433674601 5.23286507963941 0.698088031498341 0.364649530459289 2.34989320207227 1.26047785361783 0.416708770520879 1.09022138905212 1.02335139815439 2.55799876397303 2.7239715444135 1.52989153017541 1.02843327819996 0.535419331099071 1.80997641939018 0.859918332005867 0.698996543193897 0.661389650272026 1.18960315493311 2.36227063205301 0.821078353863099 1.33866134013075 0.588837171219154 0.797322219386698 1.59156295145199 0.820809183371539 0.820044327329949 3.64928310680602 0.675671865971726 0.575774802847324 0.547531022634591 2.6525261454516 1.05590975090943 3.64220328549796 0.914215266281444 1.43673549635603 0.890734676096949 1.00384511763216 0.72223590954989 0.581688708984288 3.85309419815018 2.08391402331683 0.945128688254728 0.648483685154855 3.48151536612948 2.05766524261258 0.950773914192468 2.5289273702999 0.871447065955841 1.10172953072405 1.65636243782174 0.95937168056768 0.936239197940576 0.55661613959015 1.2312392702587 1.08653929362112 0.912492869310862 1.46955811667928 1.44734591276376 2.00802853697503 0.616427391750194 6.38105520225907 5.74993080749431 0.867864990161059 1.46788818098847 0.507203497549396 0.853175341531511 0.969249600227888 0.759390262647152 2.37454657152054 0.825735640747117 0.96722126084067 1.98141056614301 1.31383293631912 0.964088783116489 4.23156016659153 3.76404828496967 5.5016609878557 0.417252014427342 1.06236739124519 0.728175801180575 1.13723159865454 1.21756305588426 1.21422563596432 1.60276515070728 1.24622456516586 0.755890065672207 3.58085104453105 1.42086767524703 0.876073954715129 0.477599156108834 1.28289499972911 1.09941829265991 1.17518561854913 0.881758404039617 0.637432495938541 0.686953982877521 0.793567560690224 2.22630276189026 0.921414718919082 0.836101891572341 1.84535983657576 2.34118708109117 0.891609357621435 0.665530169035637 0.840951373051425 2.41479270807823 0.989577120410159 0.612866398525789 1.96907579159536 0.809706513460118 10.1204118749784 1.09981984208174 1.67830694212271 1.09150301321411 1.32202572122615 0.810666015558447 8.07913024101055 0.956852068261441 0.539540238169307 0.625964558238027 0.295671772816183 5.41690219084678 5-methylthioribose** 1.54334752722822 0.203346899488392 1.64056036241512 0.711116749144705 1.1661318672121 0.902632845439993 0.743692784130737 0.422420774003202 0.714844477458909 0.913291344514077 0.243000177859616 0.69091398918195 1.56521955200301 3.31049110178801 3.1102729621996 0.606784821251086 0.955799792845858 0.67927046170264 3.61828449168768 0.390462539626076 0.97366474508532 0.511024157520846 1.17342515771963 3.37714765486865 1.09158828637491 0.365132191544345 0.488760841589856 4.97210324227619 0.489297036021804 2.4515107605068 2.1260491101788 0.990116759607035 2.92554639520407 1.70244766219228 0.570904782331216 0.794405268829579 0.515293834548707 0.246072964292066 0.356849687699438 1.51521222837175 0.897516242767914 3.01816155930572 0.508306567204779 0.315300635063454 0.774251681819608 0.534102488988397 5.21765675186491 0.495835469392453 0.515693495569203 3.66199558489658 2.56737269959511 1.01186532888336 1.02253847521997 1.14001945993451 3.29903641937205 0.416461430619056 2.95721953107835 4.32107217961729 0.423497347799249 0.371032945878365 1.4418362436049 1.96419842855798 4.54663322208389 1.67929034013036 1.12292715079357 0.784867808455655 0.30095311829757 0.524241742605748 1.53404285370523 0.360768353543068 0.325123193940218 0.61278025967504 1.70682876303868 0.417936096086042 1.04667821010452 1.007278643245 0.358479718772559 0.266815057385882 3.26480785930258 0.350672204726881 0.54083761417018 2.46799311578661 1.60699877590735 3.70222167585608 1.06965924189954 2.62945773741643 0.608006821439408 1.61841997886609 0.867043659304674 0.742126050156412 0.409261777968425 1.43636862974859 0.831297538213662 2.54170284889256 0.385910902794488 3.31579968822256 0.233469518000439 0.427473033343447 0.371815528190749 0.242059091241983 4.78011163306515 0.544341448614264 0.300875697052762 0.356781159435453 0.397291825781275 0.761245435808372 0.50602839476465 1.61029964114207 2.66731881859365 0.509872254946067 0.984822297318505 1.53248292024566 0.308234377125161 0.271055439888681 0.844969711553551 1.99037884098304 0.56678053169563 0.78658258440485 0.405853673847313 1.49345371988157 0.794380682353187 1.08244420962325 0.914508113537209 0.325257111769076 0.331032318138542 1.16810610895471 1.73952040677541 0.250522593402454 0.538389951977904 2.90240267417165 0.414078111758613 1.09339094589929 0.416452014521714 2.06631286552767 2.13748496040008 0.355911739780919 3.29610278193365 0.744529770561095 0.400944748433266 0.396477856477752 0.606880028457539 1.23435724673314 1.92383109613835 1.98172753999226 1.25861677530053 3.93930279030351 0.431751603352131 4.40926962471621 0.332992958851655 4.95030654628012 1.23181228486833 1.25196691811134 1.32798516441552 0.259551584519936 0.671399127441646 0.916747052238416 0.442048628911604 1.43119134556031 0.326856802084096 0.701452694573189 0.845352109728921 3.77675845617853 2.90983668302278 1.74506334941045 2.31038177043555 2.02990552515667 1.38330892122912 2.14429175254496 2.69891139452402 1.77185894686182 0.402338330839811 0.615145792573838 1.27160837404924 0.994009269624716 0.307673596216821 0.47388393090677 0.604254506648811 3.46001558887227 2.99985980477292 0.832904029043429 1.06465824797816 0.918970297444053 2.5449242004164 2.41236542827549 0.22193218317448 0.972436467498771 0.206176959856038 0.540912942948912 6.69735564599659 1.95365187641895 1.00193866981932 2.9660408449378 1.37409003881525 0.998061330180684 0.194304307341417 3.51240100019878 0.707089275065128 3.53416003180548 1.10669484520982 1.33695138155073 0.857420407821638 2.91245331185068 0.699253512727425 2.90762076144841 4.77421820236239 1.49403542545067 0.711703162762474 1.23403396072441 4.48089996965924 0.935780646781264 3.30067638965903 0.644309538506607 1.24500476036032 0.455015641183917 0.515315805442504 0.425259204235151 2.64056140864816 0.717820487335349 0.5111497054854 1.20156464150825 2.08556459965893 0.314389889203921 5.91545757001915 0.680932925999937 3.03846109582448 0.975645264226154 1.32460060053776 3.35827779579624 4.78227995103629 0.854867076092529 2.32688191167701 1.51825938209477 2.0064018999592 1.31172931858842 3.06946307320493 1.05975350749626 3.60555758989757 1.08149736872391 1.03559180171792 1.23061225557381 0.25031596237746 5.08445454640567 cysteine sulfinic acid 2.4853396003744 1.98772704458823 0.423761174188472 1.17169250803728 0.507253896553127 0.290684898058845 0.507372590512622 0.524311914160529 0.636131797772623 0.875093259539603 0.506300953621183 0.773531925283848 1.50381855423975 1.46827480025502 1.58580216769083 0.798352527842212 0.93939147302595 0.996737611741885 1.00771171611118 1.38325262144088 0.344042919735753 1.52882228462133 0.48187034550116 0.42548393222914 0.440432588613519 2.56047626799061 3.85582414302961 1.20658514087277 1.39674982026343 1.39780110961896 1.97200518183915 0.70863006823207 1.48303354630421 0.797633581573272 1.69974497754989 0.66378749033492 0.567018000786771 0.489422672581017 2.49344809343589 0.391768065220635 1.08060337226495 0.861982663899402 1.35660074065031 1.45422482670682 0.731107312904407 0.902979557508919 0.846365930085867 1.16606302310124 0.730741057257966 0.467755938089231 1.50765406475942 0.531036774779908 1.60672621712177 0.742132286113485 1.15954842035296 0.605369714727547 0.47349394321681 1.36587582577083 5.20718539318222 2.89304317747121 1.11278639156798 0.473612637176305 1.9739653277988 0.410325017973657 0.805053649669692 1.13626744801205 1.41799603901301 1.66965097193397 1.26427379644325 1.38210298566177 1.18139828266797 0.510136464140859 1.19351184904841 1.0890984685088 0.454173957867036 0.842245554063403 1.49124377704527 0.78374299705639 0.562565281677722 0.730032284756983 1.79730462974267 0.478316309228286 0.813904827792021 0.851195078609314 1.28324448242651 1.82147750240779 1.33782335625822 1.26985241253951 1.46261140275913 0.883327229072559 0.211339681764538 0.953366838942471 8.76241538816316 1.16790786635738 0.81859493482006 1.24796863766465 1.48395596793228 2.71686064650904 0.836409202512242 1.39676338528738 1.83065763236072 1.15081593619013 1.3626168287687 1.30530121135664 1.35093056064244 0.513398852398975 0.501363284906198 0.309258807091795 0.773694705571155 1.14084903484855 1.1871939391473 4.27976844504131 1.06029992267936 0.880929611090764 1.46132950799658 1.12188513137726 1.02119195865381 1.08650754893582 1.13010214463029 1.88330688153665 2.08522565417328 1.92824780585738 3.01096732185732 2.21889540010038 1.07231853389221 1.90502109361223 1.43591543564074 0.317350343873357 2.26963876341242 0.776027889689225 1.86754432371573 0.377226359554525 0.891028771415782 2.2885111029721 1.00893935077795 0.831647879108507 0.246615526526404 1.27132421763724 1.21477502407792 0.981131051696306 2.15828348187035 1.94428844666911 0.805043475901735 1.58106797433498 1.57234227268411 1.33492044113458 2.09323919206717 1.70340414275831 1.63421234688479 0.944312185461007 0.378318343981877 0.866103039921866 1.34737652436957 0.887600211614373 0.832739863535859 3.52399652735387 0.687061680163866 1.4143572213405 0.285408103745303 0.324319374923697 0.536513653196598 1.51495204764036 1.05887220390944 1.8751644759153 0.869250125476471 0.198805599641883 1.80887559516543 1.35718064542384 1.35581396926166 0.606183616164083 1.00326238825812 1.99364817753903 1.91357723246382 0.854766071162116 1.34204886121624 0.890757470936936 1.37932893826558 0.595138295419091 0.344724562188852 0.255955045510655 1.03306813711526 1.42427664509828 1.6189856075096 1.11909751895712 0.871016969844952 0.76448066305837 0.902226698680123 0.544520408578521 0.786598434596237 1.4021147872326 0.723402379305199 1.51730218803836 1.25931238893637 0.809940449544893 0.787073210434216 1.82560805219821 2.13006144955846 0.494245038592493 0.706198537690419 0.86385802845942 0.97911664564088 0.809096026804487 1.10065586890761 0.376348024254263 4.82679838304915 0.512486604538857 2.06027618388746 1.60235488815638 1.90297955750892 0.434453804310965 1.64248362023359 1.1711702546155 1.47295134225912 0.55597268004178 0.619711336290509 0.218393494214517 0.476803809058723 0.662522551852304 0.951979815244374 0.980496886827005 0.78254927494947 1.25158371654526 1.21289626826191 0.410080847542696 0.880180143517953 4.82212523230104 0.782311887030481 0.678539453872136 0.780439913726448 0.641235638030901 0.277286045659871 0.608499844002225 2.1563911610304 1.42527028310205 0.586575374055535 0.566624615092446 0.640442084130279 0.98034767156364 0.455774630692223 0.783447957785645 1.36789362308225 0.39481680435166 0.819588572823831 0.443288026153366 1.2818608499844 0.648845616462513 0.88548406787938 0.429550048155835 0.533580216769083 0.929746741002998 0.214781806589889 0.392724399408565 1.03431272806197 0.838108221761011 1.08608364193763 1.35740446831889 1.41313297792971 0.750976681723843 N1,N12-diacetylspermine 0.26564277762273 0.282710408447251 11.8672061580259 0.326606154519949 0.298074587374812 3.08407879063263 1.34695491973992 3.97855826531722 0.154868319161552 1.53584525244172 0.379447109933306 0.0550541629253517 1.98514947219982 0.0353092021183796 0.958634389193404 4.7195381369267 5.16638790565848 0.264911534305969 3.09158739067175 0.204735050901825 0.110449461431506 0.171174655574103 3.68182484719157 0.636178068321165 1.28283589959484 0.943820034007823 0.56917609079215 0.717045565529613 4.75857117059311 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0.0649576683021326 7.18933776011936 2.81794963046892 0.175947492945645 1.35529465516229 0.38394698319003 6.08017632201863 0.308583288419004 0.210227445053103 0.116173082065367 0.507938080274823 2.03306455225677 21.953670949968 4.79780760565395 0.937549372140798 4.10406638620833 5.52592171300147 0.0802194509052753 0.547156985530119 13.6492205218929 1.67908157175019 9.41249802789688 2.65838833193883 0.435449551863043 0.574472596322803 3.15203989895041 1.97733451794009 0.401761161129799 0.378603453260391 0.232354511657182 0.0994604993657271 0.160180128490692 1.47037755027367 0.187477652976074 0.886918563479739 0.443889735853656 0.0513726255113208 0.55699649320414 0.362953788928342 2.45827029791487 3.15723261690224 0.0657248059826166 0.169156223679206 0.516335413629674 0.210070511555898 0.352512146346608 3.97919212082544 5.10196475729984 0.169439204825761 9.60290232364529 1.77029694099328 0.177147588997849 0.422735990833303 10.8955627053665 8.40304194993766 0.433458666805421 5.67608703576275 0.44961029572782 10.6890446228156 5.1781506834259 21.674343237488 0.0891657732494611 0.224415179253392 0.908882296816337 0.366590806201322 3.76733579511163 2.68692268159279 0.138501045805938 1.27482589146713 0.26126589125566 0.126145593660777 3.04643812437759 2.70669518923703 2.0942466343469 7.41454372837817 0.338926547054033 3.00838369906166 0.407549335968184 4.68357059322253 0.291156992208141 0.228890844683419 1.3476814327917 14.5885726814954 0.100440220719729 1.04201393536065 1.63802509767302 1.86756927542636 2.54303859423203 2.46719408193765 2.5357384041032 0.460410047194132 10.2434909466902 0.721337863628687 13.8413118527363 0.402948457641451 0.209999557581098 0.583886658398906 1.86980196050006 0.419548070483174 0.0647784747344026 0.166270205535579 0.574785350313686 0.150571290797492 1.04735718703941 8.00494618767076 0.130572008684767 0.994499536573157 0.856512141894594 9.80664262764551 1.34133870394635 2.49934485829935 0.422171976296364 8.37921059668397 15.590375747208 5.02329488555402 5.72172630185936 1.81765718879239 13.3283443877771 3.148199480283 0.237336593691663 1.1471307186469 1.78956553629101 3.13183387643268 0.0588781647907456 1.04567488220945 0.108904056035276 1.65569736766319 4.54799006866954 0.700181336099518 0.302011559098122 1.13642306822239 5.59742606804514 0.241827841171058 0.494698903329801 0.839819593258426 0.630409649295371 1.51918859816928 0.132658333794766 11.3835844222913 5.99042010039848 0.640783676912884 16.2642415061832 0.180383368499607 0.342049356697874 2.34694267670114 0.093227679618596 0.0652804393247519 0.0689455599367703 2.13741308485901 8.54108193403284 2.95642424244111 1.44014253123158 7.69622599981802 3.53747635910948 2.06773377734754 2.26123723141486 0.0398995069116128 9.79255255950465 12.632395804088 1.6524137290098 11.9471014466542 3.899802414049 0.998112902521203 0.123834998340234 4.43184648119761 0.708098408432783 2.50900155514418 0.909159991196142 0.17701124606588 1.23066413755165 2.44033897635396 0.0367012912788661 0.0585620717892839 9.85486600967923 3.24051894902416 2.54116624404995 0.374946123673056 21.9925796054903 1.88948987987631 1.27692279011063 0.270330748475394 0.295971288961036 2.12700900614628 1.35895643676373 2.86642955981545 15.2611807464859 1.62057793264604 19.5078356839504 0.724247533097247 0.526905608118693 1.78899762624173 0.170839363261813 12.99146214995 4.17392154827695 0.186180725617084 0.43028799800995 0.263959638040123 0.0858339971935616 2.28279972698024 ergothioneine 1.43599299384506 1.1373003306132 0.258868792221162 0.213220788421356 3.97686493963981 0.452999328777783 0.14903230237259 0.111320133852999 0.849165131325212 0.423195734235147 0.75084234805799 1.2613965790909 2.24275561447414 2.13804914269318 0.346050789555496 0.879293065475884 0.462393294278604 0.251212210547433 0.403262129488744 0.683908508969231 0.690025526016458 0.671989727381725 1.34320006109328 3.87589221789401 3.18337787469132 0.055219866779603 0.227706676065991 3.09933616979039 2.78927903813734 1.04287801073571 0.3899355462405 0.723940334793269 1.1430783288891 0.861559238200356 6.61943168221289 3.06069187440158 0.271992313710496 1.12403246401814 0.221799710855434 0.373004179891748 0.169566354798522 0.256699421588541 0.314560139745635 1.80352953491343 0.76131697958041 0.966041328485248 0.374661876832383 0.295879156933712 2.14311030849485 1.10568246138812 1.53670009263601 1.47299741699152 0.265303508302552 1.32666048860294 0.573071039985517 1.92739301380173 0.523464555150578 0.561792549520769 0.356240225905333 0.722049868263247 2.2159850146713 4.22424553906344 0.381141678915322 3.99921151922874 0.390074648787912 1.58525282324872 0.386426527205295 0.512194802283029 0.515998103591904 0.454208612230155 1.18833453883049 0.494495925396298 0.662677196286801 0.231396388611276 0.86592174572998 1.89303503409498 0.24019270246367 0.151317358792128 0.351297541921681 2.6196696943606 1.8438364202973 1.98988710500163 2.01142388408214 1.42066095728765 0.327860160698393 4.91913895523152 4.33766723979479 3.71607562355426 0.514866060498774 0.672368939100171 0.173282629639293 0.221966074706106 0.279584936172726 0.0639046888917354 2.72473266010729 0.969599977072545 0.482089236381188 3.48119607919548 0.386289521681212 2.92949265840871 1.48613387012471 2.52212840178687 6.75857686909874 1.16081669971517 1.72247748627018 0.639713043327822 0.573986740171994 1.72707870495528 0.293546917489297 0.861169541365271 0.295628562646038 2.57770825757108 3.27128963614374 3.68164634505435 2.6537997975324 3.68798320004711 0.217478794288477 5.4497788252021 1.40711838063665 1.52911760578653 4.61807316060036 1.10771762252776 1.18401816581408 3.86579365255504 0.166307580547103 0.541271079234803 0.369774064959142 1.27190441348267 1.95455645597466 0.244249394091322 0.863281243856377 0.537824970899433 0.323488566067681 0.827534685202722 9.76959130937612 0.743946636348369 1.21338243396954 3.6693193429257 0.541654834503793 2.86571798496329 0.769367801639767 1.02442175892375 1.5262338492069 0.560837005891063 1.12108020467647 4.50329328776036 0.632209194853136 1.00146180001143 0.203360235230097 1.7769183088835 3.86700083898408 0.757225337563961 1.16439072647354 0.606812844337784 2.26948042926767 3.38141062215711 4.20129606526775 0.694260814130862 0.794639379267115 3.84864908883463 0.51350404384736 1.9287071484205 2.64852193932018 0.344493749734596 1.15146362616924 5.95583598970851 1.40127642314925 0.156679097937455 1.84396398921641 1.53018219462928 0.624633348577528 1.25598276386626 9.69116088939652 0.264277364887476 0.630730443903141 0.462459700017318 0.74476552395788 0.444788433937736 0.323659473468898 0.918285816240991 0.24563307998379 0.711774803460857 0.104502361510395 0.599290122653147 3.6561105424877 0.714622211636138 1.9173545631315 1.2483475019297 0.638386676072981 0.493286991447815 2.64683558306074 3.75913170652089 6.55078352655365 3.99493114511279 0.120275471974419 0.998538199988571 0.189274879041073 0.742932725569372 6.66130224799153 1.36946492877023 1.06832643733037 0.298290733760695 0.714630949233337 0.685535449567725 2.96600113553813 0.481539117261525 1.32495386111799 1.99524779563529 2.52635005924965 1.10799128407204 1.54796005939469 0.196810532369565 1.24887140825776 1.83073736408012 1.4125664472423 0.240678862371835 3.86194107119796 0.357961532553579 1.11618470371769 2.40811114643042 0.541044251211512 1.241564330472 3.48547225926478 0.949244171629476 1.91317239960807 1.95127007091609 1.40411159868845 1.89285224356157 2.21286044991286 3.59313064088353 0.508329289282096 1.48412946532721 1.51841125318638 0.316785431000331 0.271923461444566 0.484518637906458 0.837439974891641 0.328292147503922 1.44360379050947 1.9248755372967 2.54134202852406 1.1696818658335 0.552517764845746 1.84841562023746 1.46638759946225 1.464457289489 0.713501352667422 1.40849228042025 1.0900893454264 2.06648193056162 0.171957660400004 0.474510594074476 1.52674831892999 0.395638750684372 1.51843746597798 0.65845518932014 1.33962568483102 1.81951025068691 0.398840555802053 0.814423745853355 2.37318242687461 1.96479587138047 1.78610327105931 1.87358933677618 1.58090080083573 0.312732933419335 0.684573614868035 0.751334100028362 0.71152141314208 0.199372046364487 0.578330374491669 0.250313286547578 0.248657686630271 1.60850252088417 0.434102702066984 0.179648842958641 1.46470508774557 0.825020004728788 0.308036300172812 0.719425443568491 1.01584038996246 1.20214029190914 1.03991072272686 5.358496797758 S-methylmethionine 0.538242146282347 21.075934070909 0.498744589196851 1.27386064069481 0.558986895670313 2.21535954199271 10.0419665897053 0.580859947694119 0.726139359305189 6.61933367461006 7-methylurate 2.06148718245472 0.664688386088768 2.49081187431283 0.854510734332504 0.382288062033447 7.46219084543719 0.489888316648342 1.34778542908397 0.210078120479139 1.03761356402986 0.641435102135293 2.27400034720213 0.736728198599618 0.359641224466177 0.456906429026098 0.344762455876396 1.12464093513107 2.712731902089 5.88668942769516 0.445256640240727 0.231530582720907 1.30758636652972 0.468496036109022 0.601506857242058 5.37361263815751 0.29880678201493 0.9346310977374 1.1319321798507 1.58433655459754 2.04620334471385 1.16044673340663 1.04442798449164 0.268259938660957 1.61286962560037 0.533619582200104 0.611534054742203 1.58856316185406 2.8539737283722 2.7820380765002 1.53886464903651 1.85919101903825 0.784894392685609 0.206411665991551 1.85537411029454 0.635933105723048 0.217015219026677 0.807187084080782 0.303683814594063 0.531372027081766 1.96167814362595 0.574251490075806 0.466611885886233 1.76382153810543 0.29284184943001 0.349836236328916 1.78315606735721 0.541188588623344 1.01237659857647 1.14578091545628 2.68746021642266 1.01278861177015 0.432102308894161 0.352292112724958 1.37066604941844 0.575087089867485 0.298975753717956 1.29661940859904 1.06024651351195 2.91369017996644 0.907838666743823 0.836849719344945 0.888990220473352 0.166418610034142 1.35163474335976 1.63255830102425 0.347266940570569 7.71855100977953 0.752472657832301 0.428336323129449 0.918972281696661 0.2825091140559 0.704366645448759 0.781468665007812 0.192868468259939 0.154708639546323 4.9347699785892 2.22176957352005 1.00543487066721 0.515331288698571 0.739866905850356 0.339774318615821 0.219443319252358 0.441210578091546 3.10466986864186 0.647504195359065 0.622139922458191 1.89750130200799 0.65916324286789 2.05379549794572 1.24658295237544 0.556095133383485 0.39075747931254 0.76742549620971 0.461785776286095 2.43417857762861 1.17911000520803 1.54131358138997 1.86322782246398 0.78332503906024 0.965400150454256 0.660128464787917 1.77906834095249 1.14160754585962 1.91756958509346 1.26727851397489 1.55257913315202 0.880495341704762 5.88453677449222 2.05111046814421 1.92057404085412 1.06129737862392 1.37619350732018 0.637551067646548 1.35036398356577 4.53564492795556 0.236602048492564 0.266778542908396 0.44237949192755 1.53030495920375 0.363062322782246 1.64491638215381 8.02579711822233 0.776950407962502 0.573573288582837 1.55308836294196 0.762627162779932 0.129929980903883 0.517115907644234 3.44444187257682 0.4522863260228 9.74256582373705 2.61654765349228 2.18824373589491 0.407599097274463 1.05654996817314 0.238921358717667 1.49750824605058 1.16875412302529 0.667313234187836 0.895587060933974 0.588704357386725 0.67509750593137 1.32391181065911 0.625598055668075 0.957673745732307 0.676115965511255 0.404914067472947 1.41220068283086 0.976610149875586 0.700695561599444 5.27717145998495 1.23954400786992 1.74046177883224 3.11994444765928 0.422338985012441 1.48408078236213 0.53792951796771 0.831493547827093 0.551396331230832 3.25699207221804 1.19386841039292 38.6405902436202 5.28135408830508 2.26055668074764 1.21315896070829 1.93497135582432 0.264033331404433 4.36521960534691 1.93890631329206 1.69337654070945 2.50437358949135 0.882791505121231 0.991248191655576 0.370184595798854 2.32355303512528 2.08951333834848 1.6262160754586 0.448362941959377 0.418126265841097 0.342521844800648 0.357178404027545 0.676972397430704 0.856156472426364 3.47998148255309 2.49916787222962 0.233525837625137 1.30809096695793 0.564879347259997 0.926853770036456 2.69867484520572 0.247930096637926 0.854524622417684 18.5387813205254 0.463482437358949 1.04677044152537 12.2345049476304 0.835227128059719 1.26560962907239 0.319868063190788 0.676428447427811 0.150088536543024 1.92976563856258 3.14869509866327 1.19804872403217 2.43035472484231 4.71565071465772 4.05271454198252 2.65589028412708 1.30408425438343 0.554539667843296 1.50728082865575 1.72633759620392 1.28638157514033 3.63468317805683 4.94883397951507 0.54083675713211 3.40774723684972 0.384697644812222 1.01281870262138 1.80014119553267 0.243738209594352 1.47450494763035 2.50826919738441 1.91053064058793 0.598562583183844 0.53088131473873 0.621477923731266 1.75043805335339 2.10705861929286 0.347211388229848 1 0.2039627336381 0.877007117643655 0.943200046293617 0.776149528383774 1.01907991435681 9.69159192176379 1.85276315028066 0.917613564029859 0.554685492737689 0.45771656732828 0.367277356634454 0.422933857994329 0.299167872229616 2.72497656385626 0.527897691105839 1.12864070366298 0.193692494647301 0.990019096117123 0.754447080608761 0.478331115097506 0.316553440194433 0.56993461026561 11.8656651814131 0.543713905445287 2.89222151495863 1.27587523870146 2.93196921474452 3.80433771193797 2.18125571436838 4.15675713211041 1.24597419130837 0.248596724726578 1.94545223077368 2.94563046120016 9.11554886869973 0.953567501880678 0.681384179156299 2.90701464035646 1.02741508014583 0.805559863433829 1.09657542966264 5.35026213760778 S-carboxymethyl-cysteine 5.62036202139829 6.21829755736492 0.782442635085122 4.13501110288675 0.379546463898796 3.92833860440078 0.366107260615033 2.49520489872822 0.143869187807012 0.975614023282417 1.51052822824844 3.7913061032232 6.8930704528632 1.57405289011507 1.32488527017024 2.00457304353677 0.178531727340018 1.00533476885808 2.67055783594644 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1.47779291798477 0.759788944180658 0.523215539855094 1.37599270068611 0.720897287368465 0.793128080148387 527.251952386383 163.572557941305 0.756313366268286 11.1361958329081 0.206499750886903 metformin 7.64182008516376 0.98678991744259 4.49717358517696 5.49155988740159 0.385016991935267 1.39439588594822 0.0165660864767991 1.62066955080948 0.148106994504265 5.03019689916856 2.80699484439688 0.399741762999651 1 0.0055895383886486 6.44426436151326 7.38055775937478 1.75458989999581 6.28954803239552 0.103457096530572 0.0708226669668722 65.2495550271132 1.14668264109549 4.4054712390921 0.030507436489324 0.35179746837638 0.0449475302804316 17.7901338933554 2.63081751029667 2.31517087105577 0.091237848945577 0.636818341819742 0.172838503519901 1.99447488664262 0.102872152593688 0.00684259190837613 0.411756731215301 0.00650379360727621 0.384565983370072 23.9490869519171 3-hydroxyquinine 0.68330758288867 1.31669241711133 5-(galactosylhydroxy)-lysine 1.64662844113042 0.280020022035963 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0.870746232830197 0.724421551197089 1.00855392009851 0.840827326492872 0.491462330326641 0.604588287335242 0.764448597521365 0.989454400690648 1.46727273364064 1.69058437794258 formiminoglutamate 0.890840299327187 0.595731119628446 3.33212645802991 1.00239781718644 1.54078849945225 9.24786057249105 0.383896091987213 10.6361110000107 1.05804012588053 0.894189853858018 174.437178994419 0.715343713143804 0.553038535790202 0.245411052981224 0.709439893122518 0.162613684141727 39.3534536664264 1.67577692496042 0.846393860495425 0.868839375513975 5.71146055161502 11.4816584788396 0.0989940971554942 0.554849702321434 1.36329625236197 0.661202113161753 0.938121464365881 0.241368272722927 1.6738640609346 1.7080616116102 1.3582642993506 0.729600141059546 0.856333632166259 1.20637482330975 3.99870975876476 0.645577890525696 3.31901065165413 1.01330566608689 0.478789853467811 11.7114618929489 2.91610883436624 0.240334957891872 0.278881112946164 1.02862040641928 0.997602182813562 1.07110191308352 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15.3980641138075 2.63682190695728 8.41088177824776 0.417479677572605 0.581439573153422 0.76184385605683 1.64378489297131 0.974622207220961 1.91153573947492 1.16244748068235 0.635911629023148 0.347030506321828 1.60174383157139 3.72306882067 0.727397061161898 0.508089096760411 0.325166154683596 0.743248091159976 0.694227338042472 12.5732731667868 0.484221036212112 0.588001012585126 0.544203169645078 0.337647632082365 0.260068051963762 0.318737873122498 0.13848577064264 2.48265911390022 0.488118586595051 0.267192729677817 0.158923308870655 0.246663249110574 0.303146208317441 1.49007071512117 3.45039588859222 1.11120816135807 0.445015798474099 0.4193323035141 0.270506799831041 0.979950595015701 1.14768037038374 1.20676112746184 0.527029950277973 2.78625918082058 0.583869582352534 2.55855849044824 2.11913605417623 1.09150847869328 0.849251389378001 0.896896055893138 1.13260389972091 0.487730453351335 3.78883027395403 31.6589437946969 0.718132468181122 0.275338040520964 0.578854213105271 0.455599898156178 2.84006166721458 0.222106230715277 1.43298098525118 7.04273806725009 4.01238173093526 15.6730777954129 0.653748442833326 8.58599108476352 1.92290293425318 0.701777950227246 2.876019779553 2.55266954703887 0.265159511422799 0.417844032625142 1.83986802738077 0.176524657618435 3.3553692131199 1.15735321661615 2.80589399170227 0.187646632178941 1.77773902813289 2.94644834303809 1.70213864709652 1.80904173645667 0.192103396842646 3.17283208743741 0.488217357543028 0.699453418645419 0.32370239362247 0.57782553197301 0.81182597973464 0.519559940064326 0.384549443517163 2.14269512017864 0.56663380805171 1.1229438571299 0.678587141339519 6.80414074640596 1.83560026885208 1.69998178224737 0.70223607671064 5.30320047136911 2.45831853801438 2.48707649212418 1.3908257885336 0.72907226521536 52.5692809913969 6.27873393203974 0.405572413005963 0.398953052339335 1.46859413090833 2.96062051079945 0.470890738357954 1.20042173975392 1.49425848137595 1.35393105934159 2.80305121749216 2.71930552561265 0.525715686972673 2.08993753286268 0.984706477130502 0.571083012470015 0.793569206486398 2.27684923602501 0.968304524733709 0.367862030886773 0.434441575886817 13.271755581656 11.0175740343128 0.788195335279812 1.80275002707056 0.496294260359243 1.0931623433444 1.09805760224134 0.263945238459895 0.604838166850226 0.20551356503128 11.607116605323 1.04085117632541 1.37911667556012 0.188298276556703 1.25233428673718 0.706211912215308 18.9496084036761 1.12231745421662 1.48882766444997 0.658050222466318 0.458512055908746 4.06961656874117 58.0433720304088 1.43448059650824 0.828737882877654 1.43908966353494 0.537983770348035 1.54005552146671 0.534038053885527 1.41945997410982 0.355333850681739 0.396743143832937 1.05710887436238 3.72468232336584 0.19934135629827 0.854295414394122 0.859128118357349 34.6146957513372 3.25777144451414 0.436616365833934 58.8078470957439 0.743753042389077 2.21443733727182 0.474061285788007 1.63661534154262 0.276474638059348 1.14748124327504 1.2949651692178 1.79302108869485 1.29953484980475 29.599942542135 0.484450038484088 1.07474107378897 2.60213355002785 1.45313391682169 1.07494922441637 2.11368731215229 0.837320224680738 0.363705115310814 0.600991709093463 0.424811530398527 2.37948663982698 4-hydroxyglutamate 3.53049755781763 0.823860156711281 1.61405426250488 2.43238966221056 0.929346050597982 2.24704755187327 0.495381882593419 5.48189568099873 0.483792880556352 1.19904410714232 6.02164745656372 0.652498778659053 2.25136945039158 1.76474725485514 0.810424906763481 1.06081928250091 4.09690004186028 2.06703438436923 0.466347436282968 0.914474164018347 1.313299678605 0.794326184450956 0.731264030435117 1.6499342124324 0.892465050666917 2.13686611405776 1.07873827737477 1.73894973669987 0.826413733367035 1.60216954110549 0.879063768483709 1.02699538138307 1.41695730751517 1.10369059762286 1.45207597989508 0.822343595927465 0.776900721215566 0.788128066464925 0.898842997994903 3.94110589050991 0.602146562911797 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1.37515098171835 1.40926860409471 0.474643563258468 1.59876077602355 2.72203678708905 0.972906711530757 1.30438214134786 0.169982686430577 0.841443470146831 0.64859848004244 0.564979834137404 0.521726881189751 0.517850559818732 0.604170642060684 1.85595270088686 0.871041381728739 1.089687886196 1.23716592953287 0.453048057393534 1.46053794948594 0.420247185421036 0.996016780075708 2.31022959211708 1.49944902287729 1.47383932647917 0.52951548980018 1.19136739234467 0.380406993762919 0.402266249329386 1.0205634852525 1.80190798931814 0.788553662574217 0.345228378269023 0.695483985697573 0.948681701065689 0.646490480533973 0.338338916368366 2.60825676433065 0.49320594755577 0.258764432553507 0.472905212952908 0.465895864824282 0.548985013222452 0.223202181130108 0.534420834627938 0.541943695433034 0.345028567889073 0.283584877950825 0.418842518449991 0.653789553713526 0.14452884212882 1.00398321992429 1.73084342958532 2.53472854261306 0.248955741001789 5.6586359544792 0.706205810685659 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1.10052360310066 0.311506380444958 4.22968402985567 1.69680772946474 1.7214403531049 1.02087718754902 1.48401566913 0.62315262815588 0.597243216187838 0.76147735798727 1.03617467023794 0.694712717630968 12.9740935851877 1.85121519677826 4.38467094727104 1.17647152851944 0.666047920523423 0.960906100110995 0.768264916594152 0.865922239794435 0.829330964914296 0.164425959764184 1.86622894872766 3.75649108995563 0.871407034724047 1.66300980369629 0.531615496893448 0.4598955591144 3.3054131629084 0.170765943119979 0.481968611787414 1.25543659067545 0.140760418362974 0.650204955497233 3.56497683698171 0.493589583485273 0.577250189570098 2.51611021140937 0.673730629632479 0.156729263928532 0.807040118927138 0.870557840609262 0.807891311145723 0.988012376254934 0.940317638561006 1.22578073408336 1.37886745478541 2.96459060351726 0.437470840172676 5.77261578761755 4.08755491039004 0.650836356297873 1.8234015918893 1.69190638084458 4.94036958925979 2.06652686600416 5.58286186409098 1.6590435676543 2.11784416588657 10.3380451951098 0.660587102839405 1.09629761356473 19.4207477104228 0.627404593041204 6.52347122580671 0.883773299139117 18.2447876964761 0.926394851286129 4.96140362795707 2.01385485174569 0.88301002348771 0.785112927831488 0.745028967509833 1.06933719899815 gamma-carboxyglutamate 1.41136380369002 0.987126176137117 0.795176917526836 1.23304264279299 1.09540772753376 1.33415215054555 1.28592647946638 0.6932855270714 0.419865121552575 1.49508599237259 0.779579756453109 1.36623510962555 1.09008474077128 0.529727003666456 0.755987807930735 0.413972656192482 1.59170519635416 3.01172345500861 1.89044807327021 0.947515939510845 2.04593266384934 1.26855462135379 0.6764949273335 0.56122870437177 1.6231343778069 1.53956937552457 2.14172433849189 0.681245858672125 2.39199159218412 3.99921038681843 0.656239968783591 0.63854711174591 0.627232267754333 0.979595217410511 1.68202847761106 0.906307334383697 1.799602800642 3.25492136998807 0.742991032644707 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1.07409774270022 0.41798587899224 1.46707736368589 4.49721334648742 0.612746823141372 0.848412306922091 0.831788096535273 0.654703812230354 1.08351346575766 0.553683757159896 1.81299640716799 3.91028558597029 0.98078828795665 5.91970609456216 0.694520194955311 10.4423932089585 1.13928702899298 0.473279048194013 1.6970454846642 0.469462032306039 0.426026681195058 0.838830194513569 0.959375598191804 0.577418535479216 4.13794744746956 1.57184081103765 6.738448824231 0.436809962746455 2.81142711999175 0.715027314358076 2.24282501141166 1.20614683492115 0.391502363317774 1.64200300384315 1.89274881097875 1.26750180377836 0.362312075743967 1.50789539557964 1.38665498505441 0.634546404959286 0.575010675422968 0.988826513333235 0.511762107402117 0.816050314372801 0.466929748354512 1.23116303211462 7.76576170983464 7.65927694255886 0.906517161662716 0.711063051256755 2.30902441358797 1.40066187622399 1.44786565164254 1.73530730493425 1.42258551381915 1.81843571922901 0.476370503438223 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0.410477743583703 1.42744908927599 2.12914243222947 3.02421480423483 0.68828353923402 1.33310559097669 0.820956959639539 1.81998291932325 1.39826137852841 2.29746072180584 2.55590571760929 7.52481667721938 0.605211446998366 1.56070928982669 9.51732068970595 1.50213471647549 1.39027395344043 0.919028389262733 1.60834008216395 1.92528197841356 0.737911003784253 0.60865224625624 2.67067534934401 norcotinine 1.7117933032485 0.393754520986557 0.443945274490437 0.768195020213629 0.944541952919318 0.569242236754657 0.732733962201798 0.574869373322416 1.18498316448864 2.57792253094466 0.475460911137141 2.32458204970974 1.04824099199166 2.91797415739826 1.24678987005262 0.188535696057516 1.22357632526869 0.19280607767468 1.34731274394968 0.383374152257648 3.22429050344972 3.1015932232018 1 2.19469158150994 0.569480908126209 hydroxycotinine 0.499358936212801 1.95382756427447 0.258304654841828 0.129173387081193 0.965961406337064 1.78699641328868 0.365009509692467 1.6717718632119 1.59055190220898 0.134348653688764 3.07842192430424 2.55295094142478 1.56953706616134 1.66397708399829 0.204786455044774 3.3045223012142 6.11676093923766 0.352530984749715 0.14387264353994 0.865835280224863 0.217995305821045 0.299369060306366 0.0478792342475673 2.52455169972711 0.974343151127986 0.290500431626432 0.414940611758014 2.69457541792799 4.49839289675047 0.118572070021632 0.0393038951483953 3.14664131263897 4.01462506462804 0.515847297755775 10.2954040479372 1.00735117389251 3.82723929879446 0.702756612926535 0.506048179865728 1.03399531509502 0.0815681216251412 1.06219825757394 3.70749832102341 0.727646426465463 2.73375720568835 0.0600594462043537 1.51938068369318 0.276184113210551 1.19063359050592 0.891679154336783 0.0462829506400205 1 4.02588908475876 0.486485107922065 2.09478354146976 0.0717933479295456 0.851766267911338 1.54652948391081 0.244070642988138 2.92997102654445 2.61646842248847 1.82884369713349 1.79278569457851 0.975117141945202 1.5683867063696 12.6919164909119 0.10329241705392 4.18737803751788 0.0363223109518735 1.26596225645179 3.62818686758227 0.0485616445237541 0.0483201346581727 1.78334439770531 1.41760997200031 0.13478646277309 0.039538063114063 1.09825200955529 0.762496106860967 atenolol 0.172557023321505 5.02002524484758 0.721334150377292 0.610114180137868 0.586978458918736 12.7511045198218 3.27977427266782 11.0133375682152 35.0999782250949 0.766021392250665 0.903740415046136 0.147769661228853 0.497122469845175 1.09625958495386 19.7323848454421 0.0680380330082433 2.56634431122982 14.9240658154591 ranitidine 0.238893845480465 0.359622330110492 0.136702018296726 0.243982032386631 0.0245813981170425 9.10250638728655 0.179871287826972 9.25816904750977 2.75135180618321 19.4372069189789 5.77914242632185 0.416476643259365 1 23.9967395640115 0.0108274162077933 57.8087113558436 1.0295385183137 0.165698358876882 0.0359960491549602 0.0937479593706261 7.76707076258996 8.20300889984936 0.0356830749126937 1.30256288123621 0.0476753523315695 2.29406024329713 34.8065449770573 argininate* 0.606972384169965 0.538412933076412 4.08556278134012 0.788936753311922 0.931357919751731 0.8943221716575 0.660301240623292 0.423030359117972 0.280951569010995 1.06560716000096 2.62054125790348 0.911126414246588 0.896419785658028 0.0798833392988343 0.490493661566147 0.125119010285483 0.734093353058047 1.77323351990672 1.13295303183867 0.857824971230473 2.20139855190948 0.682861721762167 0.288415606372594 0.523537935433773 1.70351356663789 0.961359496510425 0.581706332873397 0.377161651595433 1.91111610990494 2.8926427583906 2.05497035751983 1.27273959198307 0.779026309706126 0.919916406514444 2.252515668918 0.782716041701865 1.76859520521485 1.81714692999639 1.14831991597879 11.6066698642529 2.23227560886508 0.531511746074581 0.916620572559771 1.3034406974445 0.60514073883685 0.669746627904196 0.86645476014895 2.85471986480704 1.50038777376254 1.91502495497683 0.30718292325618 1.23131944372887 1.43388005318596 0.347226178160512 0.2874436930916 2.51351492175602 0.366726075408728 1.47547868041434 0.681345622589294 1.84270869645607 1.48615533931128 2.51434860132172 0.636073983617652 1.42846969055673 0.658021259217768 1.01260823690187 1.91667928786501 0.906323813352988 0.297531060299258 0.1733730756885 3.46402569630617 0.620673075707942 0.545620334004541 1.39159395139034 0.424032018894663 2.58264636102175 0.712986367356001 0.960455825190149 1.6960860805259 2.96775888151621 0.649726847456665 1.13537494096876 1.35775216036355 1.32565744129976 0.945242728488569 1.48447942563211 0.807315421536035 0.794715933603489 1.17815720653575 1.23370946772632 0.207010140833131 3.05465520020267 3.62405406629736 0.850074745361248 0.551358880194142 1.06003601075773 1.55713145015333 0.223950867343655 0.200434221068568 0.581905420530876 3.00458679298364 1.03103123323722 25.1085136609323 1.96057345022216 2.3425027068339 0.727190610683891 1.03393316915082 0.977457794485933 0.884784628566396 1.8952182605377 1.12663841462454 2.07477880175283 0.753264483481265 0.334498372011231 0.110769922909915 2.09302856849558 1.97416234937434 1.44604189823082 0.479234904576936 0.378917666949291 0.581321961487815 2.10775016754276 6.45230246625668 0.678092755795074 0.692753500900075 0.635469138205135 0.478474327510473 0.716490426780556 0.888431393401683 0.892383400055566 1.19721343382853 0.353058824375717 0.22445130838892 0.550411852870333 0.387623085847026 0.25504975927697 4.58050714081155 4.20880912334744 1.18031178604765 0.697088517988756 0.662090307639036 2.30214448903395 0.476599326173825 0.82073128551717 1.07533251430019 0.479386358956991 2.50188695826139 1.0005980406586 2.39570363391357 1.86236665841671 1.04538226482819 0.198437706269103 0.603914327759333 0.475118611721325 0.809431116739831 3.32227081248567 6.5417913961858 0.212844342420661 0.358025128206424 0.902309397384603 0.884456056162939 1.17472741613967 0.685203140374491 0.84148306306471 1.46461673778931 1.61554754063556 9.44858298776525 0.920141546658351 6.35865699821307 1.1626260361939 0.764442166688085 0.445037322131023 1.44548876894808 0.251550365969387 0.627423974858962 1.23338420048905 0.408589310353744 3.54624345504187 0.503688662677266 2.90264710760046 0.602304517403936 3.52503770319724 0.708048449070208 1.97706136896484 1.45050640006548 0.286155261542661 0.968667413374997 1.3477569489661 0.384739814401309 0.207709280692794 0.339816578830255 1.58970327967753 1.18485191786157 0.484205291259994 1.10715698742268 0.582518042805013 0.506713084161391 1.34180901077737 3.94956860776485 1.1029918947604 3.06035233460414 0.755818988101985 2.16650124633929 10.2926326095862 1.57641029010999 3.0666191241193 0.550293255730623 4.29500533006653 1.34898997037599 0.857349416142393 0.616472792746832 1.3176632163972 0.852742792161623 0.328104819651663 0.792018529150496 0.957342747483553 1.43097286789076 2.28683884767908 1.15667129325126 0.213422163239047 1.28730682032708 1.39717268307364 0.388839775847518 1.45485774856357 1.25240776496302 0.783120049663038 0.368819217713824 0.453769960044429 12.7493089772397 4.15745325668718 1.31145086491339 2.85856144002591 0.435808520446244 3.52233446609804 0.717659872346705 0.33582529902519 0.719561315012862 0.388588972060264 13.9839751933668 1.09438893601451 1.24567008647676 0.23162818513519 1.13708273978057 1.46542825329938 2.88261721723283 3.04948047648054 0.413138191136983 0.971361901504881 0.726922892222613 8.88075388118861 2.92297212986659 0.818447804523917 0.984962854792579 0.907453596924873 1.06732195798823 1.44767270611259 1.33243633715262 1.67319119433736 0.928133827345506 2.26681828954539 0.659953420487326 3.42652255882856 0.175416446079227 1.69510911228486 0.429961681458582 1.54303063908499 1.44714154646393 0.501824743368427 1.58336241555543 1.09401253591209 3.85745420935273 0.845032228286662 2.0420162446974 0.999401959341401 3.700687066282 2.39050402423426 2.24856716185185 0.668216724801948 5.3469049937756 0.532744378641394 0.825109075344763 1.4821990553835 2.73899763641733 3.73062253971692 1.38277012977443 0.587254734796381 0.276074893510462 2.21679362717298 0.661810729463787 3.14067001162446 2-oxoarginine* 0.477091534053628 0.51704591643682 5.85997662549896 0.560941223009161 0.951464080705211 1.15881525648616 0.562769346255679 0.855064154733621 0.665969996517328 1.55705330706865 6.71929873648073 2.92969285026574 1.00312260299192 0.153389389132332 0.443173987417816 0.266622944188012 3.45226566513296 1.10473911039136 0.613565695991691 1.15481939092607 1.45083800343465 2.92074717415672 0.308198300500608 0.469212127514038 0.76170431795426 0.634195977294563 1.11302976326679 5.78773177500613 1.23484109073272 0.944158913235264 1.52830553995209 1.39628142557393 1.3242075037907 0.633598947730306 1.95565437767248 0.911736789321921 2.30852469294133 1.33609803738231 0.678066255020141 7.63180104223781 2.02040298681641 0.511488495022566 0.768037226645059 1.07762879961549 0.881914206200459 0.44919902094477 1.87342810448506 4.8543307891748 0.64498910787321 1.31160313934994 0.15272276716488 0.992244211545034 1.01649838497805 0.533592629472647 0.489369913026792 3.55905113810541 0.392836092899347 1.43774873052367 0.980958440006922 2.1380318515476 1.37116975978107 2.79493977764413 1.04035352126877 1.14363800799275 0.483364007236389 1.1253541302023 3.52818304104354 1.20816542724699 0.343895133608766 0.217274808292769 2.75528899720705 0.343682693641116 0.723010534804392 2.35037536656832 0.381210702294179 4.82773835169172 0.849821730512779 0.420971772446272 1.77503950437186 2.84776244653518 0.374693434780879 0.990383123475949 1.25604072742782 1.38130074509656 1.09793248499109 0.97503596370573 0.422371352999428 1.39239320440357 0.653444788348034 1.13705867707894 0.285916318797915 2.0134763043463 4.30302913144102 0.669798392639321 4.73351084822456 1.21346462421781 1.3880617895076 0.272159609973243 0.179467819567247 0.498584394880319 1.17059163411814 0.822087936919981 13.5458188141434 1.80388616595611 2.02103379514947 2.38096021033999 1.4240123703549 0.997026959628979 1.14422852598712 1.87266136713055 0.910520957131588 3.09594950847313 0.792822093024084 0.441636442977623 0.1858750008521 1.44680835910575 2.93734028212801 1.17035945595427 0.130758631467426 0.603060498894101 0.472146607182119 1.75759806093588 4.88217548294228 1.02895216936512 0.365104741145257 0.52364457857374 0.30280468576639 0.735784810521964 0.676454844959012 0.862281212523499 1.16136473958452 0.556483239473462 0.310084010443337 0.563045477516312 0.294795251315566 2.30812667323182 1.97891411229141 1.29274115624522 1.78713271057629 0.905499722800435 0.952098755282893 0.985976418553131 1.6330091419389 0.593637036344429 0.690108589584805 0.66146236226122 1.96048270674565 0.4880425702021 6.09682439893377 8.10945684451968 0.419685737393067 0.35353062915297 0.244216225224621 0.235123021360289 1.04253713553395 2.8121720368974 5.14047541989197 0.203760858933045 0.29049537683625 0.871686768255975 1.14512793657812 1.19819784163842 0.613331075989105 1.38380993785622 5.43359109314913 1.36805071780392 10.5291824652783 0.763391628501915 2.28157798535894 0.633399937875554 0.736812010672056 0.813941556014915 1.1086214304515 0.333042788441434 0.648387740382488 0.920619791570753 0.605137689688899 2.90917143427196 0.590461425103872 1.46959539444801 1.13272583777706 2.69471165903711 0.652584650662924 1.35541644083898 1.58532491563702 0.591302028079314 0.709253012033483 0.952392182901045 0.318201496257017 0.368700145157137 0.128479175032932 0.779249132562235 0.811082366373683 0.115724840998146 2.42880498753696 0.435959371466647 0.471375189636755 0.750835897348764 2.65388208096344 0.747065901869217 2.70885417837774 0.398643802781234 1.80897739966358 2.9412810028306 2.65550244443316 4.29860167088918 1.06116714396135 3.3186299372071 1.94059738973547 1.18551635579177 0.384397301808924 1.41979144866049 0.631653005766097 0.369398511027802 0.756180268335691 0.800872224786718 1.95967262675407 1.99421874337079 2.48453344449126 0.323789644141688 0.609041172351182 0.534080386754694 0.525166251062327 0.562074439656519 0.84130724242239 1.32884597990428 1.06660898501006 0.398394735232955 14.4163298370612 1.5393383776973 1.14973731411376 4.67068681495614 0.473869731364167 1.85219529948084 0.672109796463587 0.338451257694463 0.522410839566211 0.775073791857058 9.67380758656903 3.21402014252402 1.17949132226482 0.221445265320529 1.85929575947238 1.54960814084607 2.13306250628901 1.01282870837212 0.564567150004899 0.690865966557595 0.761736672317149 6.72037558735124 4.23825060977291 0.781931899356769 1.05076307968361 1.10089647021023 0.459062217948552 1.00297304037102 0.870965408404137 0.898766556047982 1.48871234621122 2.21333225621115 3.0992716300362 2.18703100799407 0.223493357537381 0.960349524792752 0.55282617903419 1.54411318980545 2.11574661405996 0.685348835482033 6.16660624811584 0.672111627842618 2.13797263695892 0.96060306904533 1.42158518267853 1.21477772298337 2.56809275812702 0.730214365967931 2.03220337586236 0.394393985995445 2.82165573146856 0.552205952002201 1.02201124283587 0.60213829780848 4.58138043043308 4.01919142784382 2.47613921695727 0.255091971346244 0.323703162354091 0.572364551461191 0.592343065315421 1.36033389702502 1-methyl-5-imidazoleacetate 5.51606297577952 2.22729319897559 2.37911683804498 0.125591993087501 0.254552454578821 8.7592889945867 0.837405617996135 0.527629699455034 0.0621858600959398 0.182104244469346 0.986611742480206 0.596813998870214 1.53123878047611 0.448724888425776 0.121906496183481 0.14487304085533 1.09316589812421 1.59582925141551 11.4994774820469 0.266308269681392 0.237839997913175 3.7377998958103 0.0956742007748311 1.41200500015316 0.984918470422453 4.14678040727068 1.26437817332919 0.151197158714598 1.82331024296463 6.7317398781697 0.839869651388794 0.0976131726261855 0.135628667299425 0.15167946632706 1.45054901997713 0.35099698373738 5.43823891912872 35.6004571747966 4.83314299717164 0.599804284419916 0.111729004600864 0.694132548219667 0.223618850564411 0.442413434388468 0.107367562669954 0.0892235529337475 0.227930070158656 1.54690685066226 0.305949928979771 0.741484202098579 2.38532384261056 0.0726772412827175 18.3337874991192 4.06874810110319 4.71598305299203 4.84661156713498 1.18666235447293 4.98131436833993 0.39636106699519 16.3067177678942 0.372363773805956 0.658756865117416 0.0402435696738048 10.1704786394336 5.61525209069418 0.115159060309774 1.73743632505845 0.276628202201622 27.7933765396962 4.20684513130706 2.28124302880955 2.47648387792638 0.172452896805978 0.610512465909154 0.356262427728272 1.24806706240569 80.8950282809122 3.12654567629518 0.0838930580283382 0.114427697532081 0.0659236358547219 0.295122685916542 0.159035090368276 0.328090186328116 0.251191454582826 0.0703084571492525 2.71992853707853 2.36728125168783 0.13436109448759 0.0899353246706297 0.116572754144236 0.838704579768386 0.974823239563685 0.0527706873002539 0.363309898768438 0.124437204057575 10.6863477613231 0.050191488894207 0.259855998273391 5.00275963080954 2.57090836512548 8.70656560720266 0.913988728332552 0.572993025048282 0.584930571407883 0.184343359724955 0.830835259154293 1 2.86340065615916 3.25673939921746 4.21818055081564 2.17175736073828 12.6643968118774 0.107968931856407 0.447522150052869 0.954241714694482 0.637910374127184 3.2580744041753 0.2331528684585 2.33237910893669 0.172918427560287 3.24407665963446 23.461537645592 0.335201409429265 1.19038898173888 0.257012591410876 0.426610932861503 1.45905120697588 1.33059264413784 0.174561044330196 0.304770894683868 0.190984289608836 0.27138256572713 0.628004342933268 0.224634445790562 0.348985059612506 65.6237232134459 9.96155512599583 6.52859583000908 0.77917844699763 9.29941821103058 2.83721934075174 0.432226742593315 4.05178648103452 0.582169317031423 0.25686766100399 5.8881529079653 1.21786947539414 0.24322785884969 0.370642576397212 0.136528989274392 0.180070889261155 4.63007807083882 0.30235600124993 0.160728903615002 0.827087200805029 1.58730898870506 2.02949057773763 0.640288033759801 1.1507572803176 1.06844232933362 0.705735639794145 0.216981925478928 3.32743816185382 0.205556885076465 1.51923975504921 3.11832782998267 1.31292098413699 54.0200485619689 0.432451336016981 0.28854161153304 0.825692232109023 0.283557585807947 1.14625188211995 1.54257560707602 13.744614222641 5.5405309951372 12.5440700463052 3.27098414240544 11.8366642973413 0.608821683320675 9.27163172913016 0.171544348758626 3.27768384541175 5.38055856546823 1.76332485723164 8.53183755195549 24.8300774863547 0.458532964415634 2.61384532407857 0.405973990241497 1.29984813155048 0.250010147293238 4.43261271856864 0.892655383742488 0.658048448752164 0.323363658316229 6.73134091365904 12.3475898744409 12.7927986581111 4.16503449484393 0.13787200382902 0.432732213093807 1.31941059758411 0.763760839068042 1.43907040186637 0.847580511871684 1.56925849642334 8.0527024974897 0.242115174321839 1.63337954004782 32.6323234638865 0.6673476988699 1.79748091686504 0.114631509299196 0.199055365471949 0.525059376548139 16.1304316295947 8.45074417272068 8.96691625219709 3.42082594745683 21.9013885501948 40.5897459626491 0.112147884865726 4.02951558066817 0.521492616504727 13.2314395724088 3.59164510299205 2.23295522624567 0.968020494176969 2.75301412492395 1.04288468009833 14.701716229294 0.565450041384721 0.680911951043613 1.20332004281454 1.89398530152398 1.3399369211781 0.981927427208189 4.43681147909436 0.208808023711004 0.930832693918562 0.466736848052645 1.88367976463042 6.92395656330715 0.155247958175184 0.190632841489971 0.80160336974561 2.26874383653409 1.97656218797073 0.629905648032123 1.10791134934971 88.8876295782287 3.37714561133085 0.777115218158146 1.26405118695189 0.397175123447911 0.929246144326224 0.575676564688264 4.06238934714967 1.23001018409409 0.316890713489471 1.06048057364299 0.318093343624583 1.18332743978542 0.285897362212476 0.981219876745294 0.930769266570963 0.517588154542356 1.63993171494018 0.224782298617901 6.14684188633798 5.69331589405988 2.41800808471383 2.3659501432906 7.38369486380276 6.47416639850753 33.5020920742117 0.270105792702759 4.06866897927539 7.55867836024504 4.93253700623136 1.41425190852997 0.833214434116033 0.311077586258216 11.2985070652762 4.29190001382197 0.109840688037353 7.2828371550475 S-methylcysteine sulfoxide 2.24395917238884 4.10315974426347 0.212222451376817 0.944838024901664 1.57875582149393 0.586320899166919 0.56680049890229 0.33045967518973 0.640314483433462 1.1486055645283 1.62144523934305 1.79681963182297 2.14775293087239 1.5770547206293 0.509429116382857 1.59575849724583 1.70542266077055 0.543232395198229 0.456033119683874 0.637540820022279 0.370563217354324 0.688532181489249 1.78398578408221 0.614320614658097 0.989095514908887 0.112274740288979 0.159746049092057 0.223035869836619 0.885174203620821 0.532689200598659 0.414068366041432 0.999234861734962 1.39005802372911 0.868524187862723 0.865740108333579 2.06099202512249 0.708829326550357 1.53690147870187 0.877652576039893 0.503147304442593 1.19333981513474 0.530950006502634 0.247264653022743 1.08618028157445 1.12269800073032 0.561703743582555 0.830887182431164 0.819928831130027 0.496152732430464 0.39026039402091 1.72914075657324 0.272205898677361 1.89459483830763 0.963963207890537 1.16293040515425 0.378596127525425 1.07227208566692 0.743076927197585 1.08213704218558 1.69534789387583 0.229650997551617 0.179562862313503 0.222612380240684 0.90658765892392 0.325020973597522 0.903157482477858 0.461050117300368 1.60336523939066 3.3047009130769 1.98399310512512 0.93790833042426 1.35969384946091 0.51256109425188 0.799159389520255 1.63668669834952 0.453196364358187 1.41511652511162 1.56925245307018 0.798902855415057 0.265489585816461 1.25422648866414 1.19703962023429 0.400030117461074 1.24290327563102 0.811202207502759 0.567385289524927 0.130605322279154 1.51365954829165 0.795378933907351 0.966016968748968 2.06936569115258 0.356282124423803 0.672579748031131 1.26331678360991 1.35660323846036 0.754284967726403 1.41365469735672 0.296068332114648 2.76805567087686 2.87963610250293 0.431901355196467 1.16161678387775 0.869382178379294 0.736910882968368 0.535608689661289 0.344669640914749 0.344444057560063 1.27161247755699 2.24951632012242 1.16185992583129 0.482674573393009 0.265685706437488 0.529063796341681 0.641184080481475 2.92452153562149 0.616027072383389 6.83212848608868 1.57745886600617 0.389997610244937 0.54308359351308 0.513125350241966 4.0311888332073 1.10924781640967 4.69567555518653 1.70787372212833 0.974734366671756 6.3075465965037 1.08901971533047 1.66766423316391 0.467372105695623 2.28886275931298 1.4717540177199 1.0550500762311 1.75580810177559 3.26112939883822 1.30550860862389 0.583194278158561 0.651066297995612 0.564981547103025 0.559842532104708 2.72738846792892 1.28885829526242 0.862761991407 0.897076255209175 1.03119657089493 0.571703812031331 0.361727373290157 3.66486348784603 2.40148123149465 0.572627275289367 0.74770555241584 0.590439432208482 2.99598056888075 1.00076513826504 0.577607370087945 1.21569131626102 0.941177801050361 2.05472509335074 1.45819550577246 1.31646904314862 1.3340410341479 0.841501504236235 0.400307483802193 0.467104857869094 1.09301623099021 1.09115085306518 1.55918512625972 3.27642978331201 0.79700236029233 0.887901143302868 1.40337934579042 3.44707882947833 0.441788631967899 1.47609396766897 0.766386711176227 1.40872549273446 7.46150842649063 1.77341104352539 2.46554839224243 0.895751920211346 2.75284873386134 1.79322428550639 0.975114703778997 1.2470235942928 1.71504507054242 1.50105217671569 3.41307913243856 0.149708185015254 2.05400935724517 1.28618551939377 2.44039912183198 4.43022525301495 0.756980063847827 0.758171667742503 1.87422359000731 1.20155218013813 1.93382372416691 0.551800693832498 0.722193801100359 0.846523858713395 1.4471773361939 1.07604212516186 0.438478092076697 0.454174289032989 1.20985233813576 0.585171852554196 0.619156074218709 3.958205177882 2.40302430496965 0.834746502937196 1.45424482103175 2.36028131851388 3.33062752349058 1.41641199258253 0.717454169824983 1.59776940321894 1.07793428739022 2.87642555734415 3.40933885328065 2.2228626646751 0.324767117922657 0.366242611624328 6.48025208195878 2.00046842770485 0.505742405831598 3.0718283590418 1.18970339955306 1.57307308513808 0.446207149206723 0.805599526453517 0.537890117097998 0.449878384382728 3.53580302466209 2.83229038232212 1.44487031486734 1.4846295299325 2.63763962434122 1.0680699260783 0.627658602508142 1.68142392498967 2.55352084131282 4.31589139500687 2.1672144056697 0.564645850501328 1.9177329051416 0.546099803671057 1.01248684221099 0.935086455267088 0.445881868722987 0.356154452577945 4.02344311028854 1.56695703827507 1.38489430765106 2.19834580142653 2.10364751618739 1.36905496347365 0.398655189890295 0.483137644237194 0.387076930768826 1.10114735027351 0.429358036793895 0.426716806882495 0.811527487986496 1.30324176375233 0.339295519253896 0.905260050289017 0.875349721160522 0.661545507870568 0.735690411546773 1.93554506206072 0.498486240456976 1.07829587548513 1.49006555309438 5.13429738969108 2.24741018107082 0.311474960991638 0.583363614476261 0.510743332866096 0.252248914268504 0.598696735320788 1.53595748081128 0.827128749467662 0.925556302540015 0.289559746406216 1.06215624950709 2.09149875140506 1.74336084081285 1.26137551682545 0.720440024439189 0.92094761674757 benzoylecgonine 0.125120332081172 0.486248267462913 0.761967498230051 30.6351574833358 1.81676328604942 7.91260829887306 27.8507506708395 11.0457988390437 0.241661646594541 1 0.263978520077296 quinine 56.5329988228796 0.161859689182248 1 308.467336116984 0.320068855906616 N-methyl-GABA 1.77361175662891 0.412808619766292 0.928341940674227 0.380316989215855 0.376608951477246 2.33395625473325 0.355844223251381 0.483591396276627 0.522139700799551 2.39102162727108 2.0429782736403 0.470820052705709 0.0714943271764698 0.747250172815273 1.47638670985672 0.974340057990436 7.43763055515579 0.701173964229008 4.12634742829641 0.758456388031038 1.15525960038975 1.33421341329628 0.968120831495082 0.38841017026728 2.30661251394908 0.486849524492584 0.4329339904639 0.375762215621557 2.13509884089906 1.80543571861663 1.88933759257119 0.320885993823476 0.189733475203073 0.440694280935113 0.822050521040997 2.09507222852667 3.77244038757806 0.408352227016748 0.427815119507954 2.10253053463029 0.462295836154607 1.5557390005733 2.69133682345475 0.829313716932122 0.38330757815615 0.971957684440491 1.04612244994255 1.30264094766469 0.184564116235671 2.04501666812154 0.519866088806997 0.614981727586508 0.989275072370082 0.603022202928777 0.257044375187266 0.341134281595704 0.234798979859058 0.413860610621828 3.90932494697579 0.54111540757273 0.312093766146137 0.184255997810613 3.17917676230291 2.75980470104727 1.77799902326931 0.293943326027514 1.15587984796975 7.51302873805923 1.25047409186459 1.70601467927137 0.387144902952133 2.31415410167908 0.238035638873881 8.21595515532141 1.03162908770051 0.763345467757271 0.381661527427494 0.168836864741674 1.67124684155022 1.02826526495589 1.22757376793917 2.06452768937133 3.73222880978052 0.116903103125302 0.50311893229652 1.29401363176309 1.71349704975428 0.641720791859634 3.12205807065019 1.03400202423896 1.01072492762992 2.36434508319905 2.20729150692559 0.592000009437012 1.43298683772823 0.51877564212965 1.99803993271411 1.57603046267308 2.2194003722901 0.494811059233762 0.770364245050877 0.74250335603721 0.612038559628937 1.84635483635043 0.370536470510519 2.20632539287459 0.276983364908001 0.820436792076685 2.02517322814211 0.506212148736738 8.12225766344314 0.352698867322696 0.115721353361817 8.55332808006361 1.29280640206859 2.56122048869564 1.68765473749773 1.16553202331886 2.62032048091011 4.88598768941852 1.25994460474257 0.32427152169451 1.19357457480365 2.67672691412084 leucylalanine 4.58666388596942 2.37864613035343 0.900399195011712 0.437932323798841 1.73345524412794 0.2488959689316 2.26417645016504 0.422289330763152 0.388283524290255 2.65895887238799 2.32443470938572 1.2817816414283 0.921583944851076 8.33622007412051 0.704476294163206 0.508748984731301 0.768871036917291 0.359515483142219 6.67652282449716 0.751391526885572 1.04218883290837 0.334671052941648 0.92340239517007 3.70875848937444 0.936529799805508 0.442612378658699 0.809731576309716 1.72784789743155 1.02127429771684 2.16498135990235 0.309317613753297 0.433172932661567 0.521107770085039 0.439697359594427 0.586118743627569 0.567827018636956 2.40345442719993 14.8635172521056 0.422342352532713 0.362468206575956 1.86321718816523 6.07832257973296 0.471522596699925 1.92858046190995 2.83901491050711 0.559134590459852 3.19607528934176 0.332638944529017 0.877005990281699 1.49093170638979 3.00723216936803 2.93268277585852 1.58439848177072 0.246265303653711 0.744426822888438 0.730894881788947 0.592451899436163 0.675484776075321 5.90917567251242 2.78803663922103 1.68383825768109 2.50675615170353 0.503722913730832 1.43732119881043 0.786914541475592 1.22410809528523 0.418492186554936 5.92374723304914 0.997699247954931 0.325286199729471 3.5413145628414 4.50305837421901 0.763647410730978 1.43664212740621 0.307494450388119 2.79582416253097 2.95774047139888 0.762363498399921 4.45152396348332 0.409891662778404 1.10718252528157 0.316872234031021 2.21645332277611 2.56270629395897 1.32096040884105 0.727730856784666 0.633812414477849 0.366577197339957 2.50781815811013 0.572998408561405 0.271712218258027 8.35682040623316 5.67754712653429 0.435794564600939 0.170672755922335 0.379559283051415 11.6620439538687 3.95733829145792 0.369734152774963 0.229179332978284 1.40722682791569 0.965589264309201 1.26535549721852 0.609880351467564 5.21666108956202 1.4982121844812 0.598674298659453 1.14182891328152 0.503905544270428 0.661285153433219 1.28269636514168 4.06455773560125 1.16044583845877 1.79017754044972 1.33854478415034 0.745908683159186 0.80409791510547 0.965563342555194 0.593712246536304 2.63402489430994 2.55187178629163 6.3182201652394 0.710618964355232 0.756340225377869 0.51659856314932 1.55849793647128 0.935455618029601 4.46185221143982 0.785388692773801 0.948167489093226 0.279473034306263 0.400096774548294 2.44869338649649 5.41170736382046 0.906567394203896 1.10202566724951 3.82208957615576 5.33869128133587 3.64841186053782 0.368659185491359 0.45393036631366 3.03465188655384 4.0578200433286 0.412917438427979 1.60624345082958 0.889889494777159 0.454628289902613 1.00230075204507 2.35933245984877 0.481116002205706 0.847898217054629 4.04064491752955 4.37131655803095 0.353623389905598 0.351518622030977 7.12886450149325 0.792364393878696 0.211111084927521 5.20125492709703 4.02204998656782 3.08091318411829 10.2841428775661 3.48043261050915 0.537813555035026 0.461511693853088 0.934756908932951 0.701728588238436 1.65822481544497 0.351666297478049 3.13199789169734 0.229590546257763 1.6839749360204 3.02639855717946 1.00523305227868 0.851183995751974 0.154539213329751 1.84137379012177 1.40041333415026 1.18554870069172 0.556723474583328 8.23367832831394 0.521682761719382 0.997358730368199 3.49878089205396 1.06696728046238 0.843250368010356 2.61977342815982 1.69566132678534 0.381323533339303 0.28158172971937 3.92290595430545 0.395221128271836 1.18490890467236 0.659906194670802 2.99124983700715 4.62233811079115 0.96065313394006 4.68235561190264 1.01309244954291 0.661501953557643 2.39033330662607 0.483209772972565 1.03187747336736 1.99251018410729 4.17035226878188 1.61999494133043 0.491624916932561 3.24886415586986 0.357229262989548 0.756186658623068 8.27284766963432 0.615893412889553 2.05282814191296 0.541410787534307 0.94924245637683 0.988295149804173 0.823042789746297 0.748103784418984 0.764539747474986 3.99488870141439 3.29034446083537 0.732891642355203 6.77516373907948 2.2994492805535 1.58082795653315 0.856751281555808 0.389777952684158 1.13360543319964 0.558122463792023 3.25347508605237 leucylglycine 0.529666627434826 0.580236469918986 0.761624884756468 0.516116930500794 0.630634673100689 0.670158300476667 0.658197493085388 2.48158310284627 1.35462886678829 0.823000647325369 1.36694766472469 2.07856421271504 1.1262921987485 1.28330047666686 0.752488769885639 1 0.805159967829891 0.851541811334079 0.895689891916279 1.14818846976206 0.926491790737362 0.977878145903215 2.11018752819788 0.833679063928284 0.697667176680594 1.71743266835364 0.921823201710508 0.718651307401087 1.2664945369662 2.42814688401106 1.44429569038231 0.928723101669315 0.715551991996705 0.912128033111673 1.88906216285137 0.828775083858059 0.612019164754114 2.11761950999431 0.432060260107103 2.84617440514722 2.42746277879127 1.00795670766394 1.23113929264992 1.11566527393633 1.21930598874046 2.53051256399694 1.52212430608682 1.73452303889837 0.605984817277703 0.94202024362973 1.73321367621962 1.42850977853626 1.42303693677789 1.39056032876282 5.29389307361855 0.974371800153004 0.610077188646305 3.22397457776732 4.59682418250652 0.637590968830303 0.419535495007748 0.838906706683144 1.89276221581436 1.3244693893564 1.75160850546303 1.14182065164087 1.52726858118049 0.618048608250456 2.31284450459993 0.512397261617529 0.768939171031209 1.04406716491104 0.774122677965437 1.05408844818455 1.23769591400381 0.829697032111261 0.595916946193531 1.64796043468879 1.07991280723435 1.716549951941 0.800170168108437 1.28795435375351 1.77425018144726 2.050488926813 1.34669177504463 0.910911846054258 1.00520067086447 1.9180937248671 0.750534533827655 1.13835598972126 1.15451705604268 0.863755173698974 1.99374252143039 2.34976657054866 0.606303575982267 1.00063016143902 0.513532533003786 0.570016575452637 1.07984169952333 1.42736224719983 0.970593283508896 0.585314541281704 0.840750603189549 0.880107495243139 0.789364248023696 1.56418083916907 0.471235704898095 0.781454128170423 0.826580552776634 0.583750171639303 1.45217393436513 2.34261656760627 0.678970752662861 0.753533317640597 1.42338757135291 0.706163322152259 0.754545989525099 0.673949077070951 1.57668353635811 0.721331332509465 0.551224523823535 1.11575354557759 0.838408952706016 0.999320798760274 1.0571509837384 0.691453833931619 0.577764863963593 0.663864042056533 1.28938631593401 1.01475852802134 1.73436611153612 0.940929108064105 0.672436199219286 0.752702093018694 3.63612958276938 1.18507130387022 0.88534984993821 1.36300486474823 0.767490044920458 1.12334735871633 2.11906128013496 0.546551030816611 2.28889836991703 0.916583299005473 1.56810892720532 0.945936071715805 0.486094764510877 0.775714019498225 1.0593504187999 0.654647011514545 1.53861639106299 1.67613870417231 1.30698179642598 0.40965642715628 0.678384727044469 1.58354665646639 0.742347339100414 1.60787284960474 1.21179799525295 1.0562780752859 1.02753094411424 0.547926597226309 0.927266619588458 1.3437640989427 0.649821495125444 4.03428617666098 0.9750559053728 2.32320906647835 0.929044312363915 2.12773151689912 1.18506149591008 1.15806018164342 7.76429264991467 0.812197179230664 0.626718845014614 0.961969634555405 0.725857706114282 valylleucine 0.347174870905357 0.596626592499551 0.405257491476763 0.387847159917858 0.921137627848556 0.675184919353231 0.8564208385669 1.79742109775306 0.447584584404968 3.58164363897362 1.15595530035688 2.33787905975238 5.33186793468509 2.07515401638854 1.19771916183185 0.829300994876089 0.889596666467293 0.728662001315868 0.811352353609666 1.46424726359232 0.431425324481129 0.753957573220089 4.43846820982116 0.569631357537333 3.34635245329665 0.979564168510876 1.37497258607971 0.569122953924676 1.86776023286879 2.08219191737943 0.465722630938852 1.02620272344837 0.392213449767729 2.72818350379807 3.06079410650557 5.2000867276751 1.06532986422633 0.555505712064119 0.64034930318799 2.76059174193034 70.9439808999741 1.83689714297107 3.82612596447156 1.10041469784876 0.439754171900233 1.2259505153817 1.29268596606655 4.43381282772096 1.62574017584784 0.909917857926112 1.12451901030763 0.932880754431086 1.25578184500668 0.912300376816795 0.730939848874534 0.614899216460315 0.476588512072094 12.321146599677 0.706511553721315 0.475202863010148 0.741745917818051 1.38312199692964 2.07007496461112 0.719939390314413 14.7116205115936 1.0132683374205 0.555854616504177 1.84393504396196 1.81966624798134 2.136152481209 0.51570069980262 0.710902765316905 0.861968419163826 0.820543493430628 0.519558586039835 0.916965727615288 4.54203301632873 4.92228901250075 0.910191997129015 0.622041788783221 0.916078513467711 0.937740494846183 1.32438642662041 1.31067946647527 1.93925075263672 0.581668560719341 0.914807504436071 1.77496660486074 10.8572731622705 0.750897182845864 0.932925613573379 0.366813206531491 1.37321809518113 0.795417389397293 1.50907151544151 0.823469306377973 1.87283928464621 2.82756644137409 0.549738820104871 0.442665031800147 0.614849372968878 1.52690551667763 1.90682756145703 2.34248958271029 1.13693003967542 1.84651693681839 0.492423789301593 0.515326873616843 0.524094343760592 2.9855902466256 1.03794086568176 1.93867256813605 1 carboxyethyl-GABA 1.37989440914051 0.643344673385113 1.69534309005713 0.496236921496887 2.96442058754306 0.888749812782164 1.36283351520209 0.376989858142371 1.44367685131694 1.12474324411066 0.880327684703768 0.559733187838329 1.01472869461027 0.893446305924642 1.0100535977919 2.21348449836318 1.00309711791514 1.93894291460727 1.53873537026339 0.666867257205212 2.58746014934634 2.25153251171449 1.35768235017224 1.52729101140424 1.9964883283052 1.09005980272589 0.345534587157926 0.747595588077968 0.304461668485354 2.91956854312429 0.696493142478122 3.02358677279243 1.92251856131117 0.522605216423818 1.08970141429702 0.953679632839078 0.692184457710165 0.963013779232728 0.532410081947921 0.478929969831183 2.454527462182 0.467996448210197 1.51609271027238 0.404243425979417 0.817352953762544 0.772824528745962 0.50416158503969 0.305272054261078 6.28956447782271 0.990451890365235 0.865280719772343 3.26702345037123 1.82563600573422 0.559658300703939 0.524661938079038 1.66477041744228 0.457718189015127 5.3250583049832 0.647484862100691 2.27602060466012 0.527911504803475 1.36740430494041 0.579270706292659 0.879303335686929 1.14370841089501 1.23324667822068 4.05679654235402 2.08211909194001 1.12702462716905 0.585152020882812 0.364435564969938 0.834405824079423 0.492324068724993 1.44716177760661 0.441414190042151 0.808949547467745 1.57353649143077 1.88080107837474 0.73635449429788 0.386572736803817 0.319035239745812 2.08657487643623 1.18820206688491 0.801896784132486 0.79878361897426 0.582688769069474 0.730614930354965 0.480620279435993 0.308096369043798 0.62076352782592 0.521297366112502 1.92702248753664 3.52281115604339 1.7961812910542 1.89808930825684 0.868380512227999 0.888281768192225 1.08338682414361 0.597690266812162 1.04002449879111 1.4632384406359 0.677193658129533 1.70999154845198 0.616901491323791 1.39179611442754 1.75868958212979 0.737911076876993 0.679060487408263 0.855695166570383 2.07110800864412 0.974776408413035 1.18592603290755 0.690574384320774 0.575841945353788 0.7134497293365 0.467038962706207 5.65718274600424 0.601386481802426 0.587858655882919 0.943486958940454 0.977023022444744 4.49043851766267 1.21756049810643 1.23553875944113 1.04172818109849 1.83682628324454 0.468790786742838 0.926816547917068 1.62663414425402 0.671708175535443 1.49715696343368 0.998491559150138 0.994263110597599 1.31636069923187 2.41270834670604 0.617674433532319 0.88013244324625 0.439753300382994 0.254600209683976 1.73548526863085 1.94569880394548 0.675802897062285 0.668803624537305 0.722730384919871 0.675792198900229 1.87765314418983 0.793151036651903 1.66064360142927 2.14827117701179 2.23758745747481 0.792971842437469 0.880635256862871 4.25544001540535 1.29441876885551 0.546646661103622 0.55676712240837 0.333750561653508 0.733153069302694 0.643644221922674 1.82457956223121 1.8666153154888 1.29602616770439 1.16976645912232 0.916300254616257 0.625679333290541 1.78684179557952 0.640900143355372 0.373700173310225 1.75891691807348 2.62355307358196 1.30544055031346 0.364844769668571 0.940135759676487 1.53354943620686 0.264284720884952 3.36466824999465 0.611533688512314 0.783643045124848 2.33513864818024 3.57767133106532 8.79484936987826 0.592135246164709 2.63275349294991 2.80736087040247 3.51655273124077 1.9948006932409 0.641370862485825 1.02086409054924 4.16879827545628 0.595641568778484 0.545790808139162 2.24423101611143 2.05839056850033 0.776617027194728 0.833932430408456 0.957252818965702 1.80106500203265 2.94247063354516 2.18010623274921 2.12885133834007 1.87229069045938 0.809099321736526 0.850982626184822 0.888797954511415 0.503316430237285 5.05122547446349 2.65519556240238 1.47380822474699 0.672243083638231 1 1.13950135866658 2.17190341699296 0.807834264073432 1.35871472281062 0.461732674326551 1.09915324047329 0.440876607398849 2.17723645077776 1.51187495988189 1.00138273744571 0.376064467124548 1.79170678477438 2.10244559984595 1.67236611250187 2.4010740954704 3.84888578642189 0.976004022508933 1.80847347925626 0.51311594668036 2.56426653400946 1.70582193979074 0.388514453216937 0.275520465584013 1.96996223548794 0.726175193101825 0.861862656995528 1.23066574662473 0.963075293664548 0.994180199841667 0.571479769775553 2.58127126259709 0.656115604339175 0.411322934719815 3.30489761858913 2.32763923657916 1.2959325587864 1.48362913751418 2.10561225581445 4.61718231807775 0.561656182467852 0.683505573742431 3.57295611613925 0.941550591608362 2.94305903245822 1.41239007638488 1.97324657123906 0.713334724094401 trimethylamine N-oxide 3.16378775875324 0.518656879480835 2.96400608568423 0.854600916020282 0.0167957282373911 3.53668886448393 1.69863724640211 0.126411255031412 0.0548829633468349 0.310371416163301 0.831071174820244 0.10789328956067 1.28475015339333 1.752363663663 0.523480572976736 0.0845139482602805 0.426116163332771 4.54252125095465 2.56887942255055 0.590522842380715 0.28099026993741 0.703333714506907 0.967246132856835 0.489690289608501 1.65304091301735 0.312234322283418 0.0774099033962566 0.443275588176693 0.23646107895773 4.51000507140352 0.976998989837237 0.172178945471167 0.164556977582876 1.1282798502463 8.61538198185128 0.261491955600987 0.0556601773185675 2.18650444088331 3.8484413749237 10.1618726878154 0.915576304350098 0.493275610350225 0.452478997705673 0.0614615081739558 0.0290041455001826 0.608218233168626 3.41454516542564 1.7825041076468 0.802778381566573 4.08234593434037 0.401145446649373 1.07711608509188 1.56702463827842 0.412741139535819 0.884728841461464 2.10094785513841 0.797232844575895 0.89397071890075 4.3368479564081 3.88439974823538 4.53349662344623 2.55928373156469 0.0314228597077465 1.50548105002444 1.89219122327258 1.67882751431222 3.07114666619363 0.857582685892597 1.45911872881042 0.922748491645488 13.5245973714228 0.968835835722004 0.883584535165163 0.422823634577659 0.249337692438541 0.0867779292265207 9.19798423588583 3.11172610493086 0.10765804739244 0.409277481796322 0.0606869043436999 0.0398897278579069 0.119046500113877 6.89803468383869 1.58971409131124 0.0249999857455866 1.18496300029427 1.76301646194689 0.274056543140032 0.802033097480865 0.352825215233723 0.219652781495364 0.99966963971495 0.0613148841100352 2.33613257491407 0.018299372457369 8.59356517767176 0.129324299625236 1.14143602761808 2.30969067606149 5.23702272818703 0.110841127593789 9.62646901391452 0.582202294200323 0.0608970080619795 1.0739085759936 0.296858358962241 0.540384153273589 3.29639300621461 2.60642894317462 0.553926808972171 1.27725727347282 5.35067102492717 0.123041790455688 2.07945417633723 6.08662826422107 3.44552838101224 0.895190972711668 0.327404844663322 0.359639483711482 0.15328299096872 1.64519594275048 2.93272219700423 0.701069885587743 0.854861398003178 0.782774637407319 1.73334969528816 1.12511255759971 2.22429888400614 2.09252437108736 12.1753446162823 0.205119741824064 0.433755160493608 1.18573854174817 0.460272829472552 1.95667654233545 1.71539336637612 16.2487625997136 0.0518388288320536 1.21431596712869 5.72175559889601 0.601690066606122 3.94724088089741 2.07809616787518 2.08050198342243 0.500850114209528 1.58282387531886 0.136363369705317 1.90786894935787 0.0748438302305699 0.0687908868050696 0.541312121921482 2.78545020980913 0.791087760622151 0.200484713408683 0.276033180473228 5.44504018319139 1.77727181297449 0.966016401444827 0.179499961513084 2.1670992807223 6.573883874679 0.279609758508063 0.208763828760782 0.312491915371864 0.575905746017396 6.91780508641817 0.826421296473743 16.6675592928164 1.09904923062596 1.23572234556689 0.865074070683518 1.08421807732037 0.50431111112519 0.065116669206064 3.65708034769365 0.254212347046185 11.4448509099226 2.41405274829842 20.1802598928005 0.954498860755604 5.2872080704054 0.0133979068819358 11.1894487184807 3.85459580977264 0.509449592751409 2.25639898673294 1.13123202162109 0.260201861499685 0.498188454115202 0.0293988343691013 1.80555892980398 0.288567054502858 2.02870821120733 4.49783562887463 0.194915051615231 0.0107565197311174 1.03361919239562 3.25169537241556 11.2259073773558 3.30881061491322 0.136859017832905 6.85677919311784 3.80605161301358 1.73351618683671 0.832385621794935 0.0441300927455489 11.1382139726828 8.80108574283074 2.75829242263892 1.29816392385356 5.46630095121285 0.216113100217712 0.835678074526508 0.460647068009707 0.0662284881103938 0.295528479209304 5.33882154012918 4.5624525953644 3.55761563576109 0.171769254624052 1.69503971121192 1.44318939015502 2.11819359203932 0.0296549576691437 2.94072337030084 6.90275883718197 1.86894299723433 2.22963013598394 0.766103258337169 7.3115921894684 9.28966748254705 1.95097898360964 4.05912738282318 0.561674823886722 0.826564828913779 2.15703381495301 0.248874227608772 2.60740756884011 0.462157300936325 9.27648616672532 0.280208722624003 2.42257437873723 1.90022468123172 0.139487379617519 4.09434883463835 0.582713020329645 0.0451162954236681 1.45807692758473 8.07792402524362 1.52656686254343 0.213525791143701 1.49809863230487 11.4817894293705 13.8284228315157 8.11202443396516 2.28391669467395 0.583292040937408 0.067520178705997 2.46856497019085 3.68743776285534 0.316779592241418 0.261665390632696 0.117642725481855 0.132934454722756 0.133176260256446 0.73685343010285 0.136923131016748 1.49146025695322 0.131370017013434 9.12545390328602 0.227236382838066 6.33888508313649 0.301258702715339 4.56407070569166 3.39852606831285 1.9907197813563 0.241825629245242 0.800316004506929 0.345396853955932 4.67022997437057 7.71113374219215 5.6534541262884 0.530121533128682 1.00033036028505 0.0536911169980079 2.20186020728451 0.534572483217012 0.0875725272473112 7.98990128660335 N6-methyllysine 4.58175397732232 0.576051628364488 0.883551153300154 1.63015929542787 2.11893548551438 0.339458870158773 0.71933492590743 0.476985462011502 1.02147842722154 0.712516604711613 0.305864551490435 0.787176200560189 0.610026444159494 0.523372981831903 0.328205079367189 1.12500576057607 0.844280676733228 1.18015089869083 0.408191998372918 0.485002113299663 0.444699235913899 0.299737667402392 2.38665320487359 2.27166595297744 3.44534664530258 0.345053924905578 0.408839596309799 0.645881743726814 0.609940973545738 0.877076757736236 1.1399572489922 0.347182634099072 1.36866749938466 1.09463074817946 2.41207498745717 5.61914640067466 1.75007056930659 0.46448442143969 5.00729217025106 0.821036104796832 1.59924417813805 0.569616642802806 0.733296639110827 3.0184821700439 3.01281170972914 1.06141122905395 0.705843493056046 0.642261707392341 2.01664527518759 0.923035299545173 4.21529683535865 0.444340137294012 3.00702238177194 2.02250486648907 0.658260728477505 0.902906990574376 1.0608302331981 2.37660246816383 1.75293447250317 1.10440715068437 1.20024779210313 0.537112413846628 1.48005052557006 0.51758994795648 0.459933814027717 0.970334076250956 0.680423253139567 0.96698845639691 0.965536964348658 1.25739457849256 0.855629632944269 0.680003339154365 1.76503422079578 0.457188565928332 3.64793652488462 0.502373737865625 1.00247560703068 2.62111250247114 1.02844114891442 2.9487550705625 2.27751799549457 0.866040606419421 0.313617598680481 0.423912852582523 0.577764331662772 0.754443259207596 0.296437566512306 1.21325471778368 0.604155505684442 0.983188421870649 4.54147164826236 0.520846477071303 0.419394675461186 1.86811983713673 0.850098732580019 1.76344158499213 5.42067920636305 2.93864039201543 2.92827464268342 1.2324426511705 1.24666797532831 2.21293141246871 1.43493179116263 0.961559618888138 0.604995436499319 1.2016321541354 0.9602930206343 0.269757104699346 1.38849450147336 1.0978018820998 0.49826116563508 0.830591014587368 0.653907774430956 1.75566031042226 2.65476789704413 1.28951759726706 0.73187614438688 3.28492345236131 0.938393133332303 2.86020269473295 0.6523833999325 0.540385638047645 1.90118809261064 7.49579617215407 1.08695668554504 0.369961375421008 5.10219616591209 0.697276205600597 0.788398294582204 0.753805822304695 1.56823320979895 1.61442534568864 2.47227325850651 1.95859436246294 3.24388137003799 1.08934256077261 0.718772023822606 0.784141602962829 1.58079411271063 0.473509188538352 0.89434151318166 1.35197911865008 0.338061488016166 1.7749982527581 3.06798715953838 0.551739421092641 0.370025372108703 1.21935209922043 1.20789933865416 0.708647808164697 3.62391067776472 1.17862990434741 4.36012761998139 2.00648370641692 0.376238720973746 1.09438418198245 0.953096506028021 4.16503551389363 2.05246590245475 0.902201930002015 1.42154229089705 2.67468622502528 0.622078246358568 0.64795294229074 1.89738534278459 1.37881578064936 0.813342590844332 1.04540786107571 0.92238336842781 1.40172031447495 1.11897529661006 0.847051773076947 3.69177230191063 4.35756943912296 1.00697534070977 1.18580358748057 1.07927126202445 1.52581835944368 1.19296410652114 0.850891697752009 1.74285447996886 3.16224450343169 2.88850872314997 3.08746533374196 4.45152650457891 0.416258481236628 1.1651936029901 0.654572739371258 0.685582226749939 0.58760181692863 4.40260525345957 0.389894629563411 0.950640511438436 1.1970006149791 1.2602136757802 0.554630632925082 2.16919067059249 2.43105979615259 1.63018342959765 0.5471130790104 1.14208027431446 2.0462646138183 1.26170437214174 2.80909482612525 0.774716160651803 0.959215354534537 0.353606745571758 1.15374824722592 0.448008688794773 3.72264837258202 0.838091359193487 0.622558783732734 1.27966967671529 0.560696489102564 1.04398964264278 3.60843346896908 0.874678719435604 1.24357145164532 0.372586645157636 1.09311739175226 1.0124435196578 0.858835295182511 1.11103935766468 0.472323138076141 0.852650249116569 0.6389854732764 0.825599067258219 0.697761432682754 2.2360243847949 0.690975589771661 0.7164622877869 0.953497674893858 3.33687420684842 3.72746637562503 1.57269982755759 0.776861119272106 0.629177874614534 2.62299462489873 1.38114391898952 0.672804548257073 1.36812568727319 1.21502398554237 2.39169241952275 1.74778509771032 0.847294417471367 0.81980853259253 0.753340663607462 0.331024101235547 0.891576313254421 0.653477274321284 0.929733998905742 3.3025299531358 0.557952523130948 1.11026022850252 1.02572751520618 0.393272563151023 0.270511846008694 0.534940461980186 0.893114448343427 1.33751024506649 1.09902418181076 0.917388719717158 2.38029633997396 0.298906066989866 0.98711264473247 0.548468699440478 0.998923352060524 0.728246701211234 1.01314906702733 0.79727066674007 0.730812780525228 2.06906622775114 3.79293290282225 0.964140521518908 0.466180285669517 0.396891605322252 2.09126777846273 1.13740120044252 0.850880227165067 0.430953681224854 0.958137558165106 0.540692999041075 0.698671194895121 1.00107664793948 1.04384708648994 4.25498846004446 0.922969684771096 1.79721991984871 0.466459974643284 1.78474060688599 cis-urocanate 0.211330707616055 5.95837766075143 0.660616896048148 0.384759923883701 5.93496127804576 0.496734964818339 0.986445103332301 1.09798822852591 0.38284993583219 0.626329158737886 24.2459184847546 1.54944019117582 0.673300880647874 0.218895428596716 0.154452360932867 2.26099216710183 132.320664690003 0.402168429437536 0.600369960614241 1.00004159844227 1.18192503429659 44.3696649997787 0.657536841173607 1.17346019383104 1.22358277647475 0.43752268000177 0.457202283488959 0.457450989069346 0.423698721069168 3.42014869230429 0.71046864628048 4.86868522370226 1.33703323450016 2.51376023365934 0.425517546576979 0.535821569234854 0.955268398459973 0.521406381378059 0.230881975483471 1.28110457140328 24.8158277647475 1.57366022038324 0.670537681993185 0.41593485860955 0.187454086825685 4.692160906315 0.675739257423552 0.398302429526043 0.404873213258397 0.679684913926628 0.35967252290127 0.726189317165995 1.18877815639244 0.84126299951321 1.92906934548834 0.294242598575032 0.646324733371687 1.2157914767447 1.55798734345267 1.01012877815639 0.522978271451963 1.7248732132584 0.456699561888746 65.9979784927203 0.710192503429659 7.8827189449927 1.25208656016285 0.16799132628225 1.10969420719565 0.80607337257158 0.511387352303403 0.495786166305262 1.49714298358189 0.600348718856485 0.73439483117228 1.53597203168562 3.68313669956189 0.225829977430632 0.450689029517193 0.42626366331814 0.691500641678099 0.818885692791078 2.14007611629862 0.978145771562597 2.0384104084613 6.92491746692039 0.560603619949551 1.04859406115856 1.00688586980573 0.460670885515777 1.48837810328805 2.02687347878037 3.3573633668186 0.834103642076382 0.388917112891092 3.77492056467673 0.706669911935213 0.468523255299376 0.813440722219764 0.448616187989556 0.701806434482453 0.853775279904412 4.46985971589149 0.38854980749657 1.33902287914325 0.999958401557729 0.300314201000133 0.401084214718768 0.851597999734478 0.633059255653405 2.84462362260477 0.585601628534761 0.507885117493473 1.82093640748772 1.34991282028588 2.35573660220383 2.15909545514891 1.37419126432712 1.43939460990397 1.13004912156481 0.434154091251051 18.3925034296588 0.733485860954994 0.667824047439926 0.498869761472762 0.0739779616763287 1.56322166659291 2.64322432181263 0.953698278532548 0.98126299951321 1.20614417843077 3.02763995220605 0.427123069433996 2.81068283400451 1.29980616896048 1.05070496083551 1.32437049165819 1.0271274948002 0.606707970084525 2.63239368057707 4.86321016064079 1.10997831570563 0.9481302827809 0.161703765986635 1.38798690091605 2.38775943709342 4.87287870071248 1.05079081293977 7.69132362703014 0.981946276054343 0.583288047085896 1.16497145638802 0.892870735053326 3.00006549541975 1.03387086781431 0.671615701199274 0.735417975837501 0.998017435942824 2.39234411647564 1.20773554011595 1.02147984245696 1.35910607602779 2.41016860645218 0.31055980882418 6.52560428375448 71.3141417002257 1.48927379740674 0.318351108554233 1.2449510997035 0.764183741204585 1.19613931052795 1.05522414479798 0.935736602203832 29.9340646988538 5.09725981324955 1.17969553480551 0.896420763818206 0.684783820861176 0.979749524273134 1.34957737752799 5.8633438067 2.15902553436297 0.555108200203567 0.681145284772315 1.53058547594814 1.51311767048723 1.04492012214011 1.33976988095765 8.29320086737178 4.77231579413196 1.75792273310616 0.452309598619286 0.943974863919989 0.557051821038191 0.674949772093641 0.400500951453733 0.174963048192238 1.02143381864849 0.75752179492853 1.43163694295703 0.518310395185202 0.605174138159933 0.888885250254459 1.29632960127451 1.82601938310395 0.115304686462805 80.0774801964863 0.517722706553967 1.30150019914148 6.13996636721689 3.03699694649732 1.03824312961898 3.10237376642917 0.720336327831128 0.633464619197239 1.49511793600921 0.889271142187016 0.625319290171262 1.79605788378988 55.0321732973404 1.14265787493915 0.835531265212196 imidazole propionate 2.10849516042791 0.301964048429559 2.15082139377568 1.47662241361901 1.38585319387157 16.5411469626136 0.214055176938822 3.06078773978374 2.14126286885243 7.92829123771994 38.9764823970441 1.70721130643642 0.239867069187473 0.105524240755335 3.38187289324618 1.26036869484411 3.32764721103879 5.53159181701233 0.846379040706006 1.00391789581244 32.6097182722329 36.1079828552126 2.26381141292562 0.310227346816348 3.37528276476841 4.07716154614525 12.4694944322516 4.3913253074586 0.97099861353177 0.936651725407468 1.71026008568789 0.943174177329967 1.81772504853946 0.444233144200942 1.13736380712795 1.10483319193499 0.283260627595967 14.566569286622 2.40540437395109 14.1395822193774 0.778615343987269 0.344599467211588 1.36391274302225 0.472199151465763 0.272975323154425 1.05397601789797 0.108535712291914 8.86445237568815 1.0354881527504 4.28250870592198 3.63697349543686 2.79884486663641 1.45566016384485 1.21851727876627 0.181857898068024 6.26723272863445 1.71806289513004 0.877863327692269 1.92610233821597 4.93995264713782 2.30700131086153 1.1198250358287 0.225774305176477 0.537028515304792 3.94817039226404 0.0853841124375225 3.16410577890646 0.129231671492414 0.346655446716856 0.588470717566585 40.093873509995 0.951567151566332 0.13150122414813 0.77844340408387 0.31209913074376 17.4704357311305 11.7605060079614 4.01187836189033 8.81578860691776 1.99890960543442 0.200861853271551 3.27516201483468 3.46858070864022 0.311088127716384 0.194821788300256 0.067477220328325 2.49021246968917 5.18870237684838 0.244254330297005 0.3952764107419 0.380155071229124 1.80209194450288 5.40221352800271 1.34335826476952 0.215538744354786 0.22184960566241 0.503288012720309 0.25611719236376 1.92392308104412 0.366182791311862 1.69974642919435 0.315264969709335 41.666821559768 26.0529355922404 0.182285494945188 1.41270663821848 0.134176926250713 4.7310818908397 6.43563056188528 0.537649319285146 2.24192521145882 0.500066933104429 2.13535788664591 0.59335054865095 0.0763817788579793 5.21715798028468 2.81910935400385 0.417255250689145 1.19606299074233 1.46779616524452 1.1650728056902 0.145177835919138 5.50973030712495 0.173935325454166 4.6199577981257 0.356660853181481 0.173451136197896 0.240083075449762 0.671357556103166 1.87303698001077 5.01597117140953 0.638199738746869 0.138063507012611 1.56107761802496 0.222342445983002 0.72829021040605 0.728503423095485 2.42389890762741 0.270156247683756 0.245772231624497 0.781142265806565 0.260919704560747 0.605370031028033 0.666293078864679 1.47447100206044 0.384788707441326 0.396609936261031 0.136774137967624 2.6289924830812 10.3913902805563 1.35503575976012 6.28356783049465 0.538964100831579 2.31741340746454 0.520484255941558 2.35237010550829 17.7966699800543 0.854239073334036 1.59405060899663 6.45474364666062 0.619484242469327 0.800585713100699 0.231860419042236 7.09406360812193 0.394446269028005 1.05132230391721 5.40340025577412 1.37079781872425 14.378613830051 2.15041362225425 0.239085950171402 0.161695421167379 0.541751635963574 0.271573490273252 0.260877260276417 0.372032352637568 24.2196775577108 2.3534666279111 1.94461083975656 2.23317772381576 0.146750617435923 0.96748736280009 0.378347629592606 2.21860897103655 3.48434484025517 1.22701649888633 0.68030536995443 14.338573189874 15.7887033410816 0.362804280348373 0.0666307677535723 1.15512092768607 0.678950577235508 0.434217104136421 0.260981433509294 0.335160164768532 0.832618982210393 0.330589429003171 6.54625721840076 2.25125781744191 0.477432775034795 1.6218285457277 6.72294709680419 3.81035452196764 0.6966557914077 0.751352776390128 0.996082104187561 8.66475733471702 3.12638776926945 0.139816879497117 0.276832436228477 2.14671439110408 4.02993205174724 0.040149769748769 0.407830096340866 0.693278992634024 3.07144089468947 12.4100517076818 1.77666673680637 0.657620927573425 0.34888597946787 0.665167449235036 0.251128231707584 3.5658332702902 0.0932975834107912 0.190457957156595 0.134185306969275 0.602122367412414 6.65703499819612 1.88860168657005 0.161751743200725 1.07049225141741 0.616619208219448 0.882507867850126 1.37234212382097 0.125931560799342 0.200225098891353 0.185178104462593 10.0074396449711 0.377538124271728 0.399121808833016 0.901414859041045 0.657947955827846 0.349542739434313 0.534137167400933 1.05255057482042 0.617546674406966 1.47971661095817 0.551963045897366 1.38305944078709 1.59263264548511 1.26272250526172 0.271276920974465 4.63004764258272 0.483247912333719 0.659116300087579 0.404797898296015 3.47228750947168 0.495878916820062 0.244905142656727 0.500183001550748 1.20895199519902 0.219884912908789 4.04483729488248 1.33387732907941 1.30770587696988 0.984624670645646 0.224896582608811 6.28938666251896 2.84090670183084 0.300046756299203 0.994568978968497 3.38732396492156 22.9070020948642 11.9298082378949 0.743531673551547 1.79534411433175 0.661691433567418 1.74819842711936 0.399793978507782 24.6409095945305 11.7086174648498 0.884461206081824 0.382125801704719 2.4961740442748 0.0947431221898403 0.712965210420694 0.60541130381407 0.593385513369251 4.10416890734489 mirtazapine 0.123448790196216 1.28510163910367 1.57376497159757 0.24157323387114 1.26721721402257 2.67609345973211 0.290370798480655 0.559379472110707 2.19432955124513 2.57187875384396 0.257387686201652 0.732782785977432 alliin 0.8070122962279 0.670570334293536 0.341004116082634 0.334764967129861 0.403268806856236 0.57915168382243 0.170414274288464 1.20531319292268 0.454602794774591 6.57885582006281 0.360114964203736 1.4518522371852 0.391951205238414 1.14471639345328 7.40130505179242 0.341563331100808 0.529732682216312 0.194268696313733 3.18165059465364 0.585868766540735 0.204571907898587 3.65196668118892 1.68388745472634 2.84102362358327 1.85393758900297 5.75686501459811 1.03674562869423 0.639537152034957 6.86293054679524 0.357595245371845 1.46987716777101 8.96501980011314 0.355911097817111 2.52475826955464 1.23095905375617 0.66155136650042 1.9794553505823 8.21927731212651 4.16533257037331 0.250973749406647 73.5998946594966 6.15882681891187 6.79256699200843 0.551447781672053 0.627712355400652 0.631643116778401 2.8121200101439 0.492544883507709 0.666252674153212 0.566117422148816 1.89829439419457 0.857819581629136 4.59902332446826 0.509935820322914 0.465556256380578 1.78848992437592 9.7347662676299 1.64702478102831 0.59500152808755 0.592738658014006 6.98804190211136 0.494446864819523 2.35406113650699 8.57441136116837 0.210781795600408 1 2.81214602014475 0.622910258994583 0.422012263715399 1.56942394350628 1.01267337291189 5.51158420412649 0.752573364458634 0.886316788805296 1.55096334540631 valylglycine 0.543712095823919 0.875503497183875 1.74672280898998 0.294356939774926 0.960404527420732 1.24240835432364 0.667511323957061 0.235163183896738 0.681000616196231 1.4259234835627 1.05963698474644 0.781620055565765 1.98811822319276 4.02900878890414 2.30346367144849 0.994097488730095 2.1176210501281 0.988294433694042 2.17638346864426 1.16590705166319 0.774529474719739 1.91915181129261 0.723979762818503 0.551350767002151 1.32910067781586 0.427915851377793 0.823415456795996 1.03917170253938 1.06554057706237 0.695006648433024 1.35929537420408 1.07730560089943 0.837390138698204 1.75430634682118 0.278627720182048 0.774849464341697 1.11658648908684 1.09247808179194 1.4021966855129 0.522845745543388 0.580416851345362 1.99049220025297 0.699282185442634 1.08032171929559 1.20573170599872 5.67704398776256 0.557374355426311 1.07837151227528 2.3500643222382 2.31023534371858 3.21606974908922 0.693691015426527 1.86955882511919 1.23411673134925 1.07881366009751 4.52479270942564 0.573810579116353 0.900468092926716 0.712376895884458 0.816240554360399 1.43556425197021 6.15845432040042 1.07596618488049 1.56080883863226 0.695049890273829 0.456420872836557 0.576154286887993 0.567809692658616 0.978993113736852 3.85256370063674 1.61204825789434 0.450712949850275 1.42188037144741 5.22351275093781 1.78202004259321 0.637295006648433 0.60309611580165 0.992782936769618 0.632952444785575 1.46868101575084 0.247022258737555 0.592618617774559 1.48554857680291 1.15289666281094 0.856378712041772 0.748287082581105 0.584181053587451 1.08374431099532 1.86137854988487 0.710487227441272 0.977746667675643 0.489971136071263 4.40533171897128 0.320066376225636 1 1.89004032301655 1.03197734127542 0.371813887117175 0.894994756926803 1.95350204858221 1.59982703263678 2.05275828892036 0.549226511572598 1.27962120147455 2.03093845605007 0.647201712376896 0.800078916359469 0.502769639903571 0.588086872858178 0.942872123066279 0.456824103002065 0.955551711836373 0.580101185907484 0.838638746851454 1.40672626833724 1.25046755240371 1.78256056560328 1.01700377285061 4.53801930748192 1.86170394473693 1.27424948380053 1.23279569311266 0.64765791379739 0.350761596921181 3.08563506048453 0.464514664389263 0.217457812179065 prolylglycine 0.922148185495214 0.734319344275862 0.533436856496641 0.827573677674896 0.127556726301381 1.56227669650762 0.64497544228747 1.62089578026955 0.203391073268773 1.09525292574536 1.55356942567512 0.597741002613851 0.541381497013183 0.902623978244164 0.716523305960677 0.683196252258217 0.645416468386414 1.69863434362794 0.376185461819663 0.448760208483745 0.878715281899164 1.17066221792933 0.444577901724866 0.881739668283036 0.657707484630331 1.39836744116657 0.182337612556939 0.549121414303547 0.479508620699043 2.02672944845603 0.884373846390065 1.50516581310875 0.662572202143133 1.48618463058529 1.81000740851249 0.960519996994489 2.11436042685519 1.93414518433984 1.94624708568865 0.948817741518052 1.08657178979281 0.908071285788905 1.11750278318322 1.19600252491979 2.42847736374562 0.879407856217506 0.451860821600769 0.717253993645594 2.96488379597516 0.459169876356609 0.508557176765075 2.06853146294709 0.81933320483684 1.39284971463978 0.513360549906913 0.832996302277473 0.575412377551735 0.0996043832549469 1.39593108958129 0.294508154264033 1.0865017337952 0.632480428786264 0.907939522435887 1.11018102397186 0.812837961203497 1.27854772828001 1.21283375058395 1.3316004455997 1.48617192612976 0.774882492861003 1.59127661265821 2.01738477694061 1.85678339883388 1.43818683462683 0.445738725975421 0.548542817100488 0.716526209836225 1.15997160009714 0.860322860143183 0.965623558271163 1.01652958559155 1.10575951046466 0.236291257265587 0.885106711981645 0.503770500907643 1.43447931152015 0.929674304948313 0.867859143160702 0.860771871899886 1.38843727574367 0.70299487574861 0.887396780836164 1.83742144562911 0.813186426269329 1.77068602970883 1.03903135423325 2.65506640981888 1.41904376104153 2.64636167987749 1.21998236621573 1.51659038548585 1.52509257010772 0.856702090318515 0.82839329654849 0.692858535161759 0.239751587966195 1.06265728569671 0.644678883997069 0.601167212776762 0.392666407495774 0.625737629762401 0.37967628321353 2.05149660301009 1.76331417864425 1.25400126826765 0.664337395492241 0.63013300838966 0.948164732504059 0.968072977296412 0.919782615876431 1.02639368784572 1.01237450266594 0.819563336974067 1.71366081063864 0.850862033605826 0.887252676012064 1.14229498366389 1.86804063538249 1.34555719745519 1.1125004945663 1.24897901550633 0.699350148950666 0.694937347070117 1.81162668211529 0.882908115206907 0.754177860199445 0.813811485481167 2.27688961534176 1.30686341875446 0.460087138045525 0.464277430462163 0.985002571744783 0.704808709013158 1.23052779027049 1.44084751059824 1.25337766099358 0.799360711797975 0.737597456785795 0.879336348282122 0.920549602005707 1.12809031343344 1.09236284360561 0.863705149188421 1.23173616548316 0.645269459686766 1.7681393308527 2.05444294773859 1.3830879739987 1.28682958134463 1.01580906147105 0.504201726426611 0.236631010704774 0.564593263226518 0.975889484304371 0.850828639037017 1.2921963063429 0.655811616881535 1.73642574300193 1.84316676340202 0.810361681329423 1.4953968127788 1.24062855838187 1.17351527565583 0.288092767208276 1.15649348315879 1.17703259491408 1.1602362157565 1.02203315572505 1.84304153376899 0.819032290733116 3.46330100230894 0.987625497334061 0.548375118287556 0.958960615824888 0.469679001967013 1.21592093327656 1.85769630470947 1.15495624404025 0.342946613336992 1.09728854250493 2.17952194222812 0.51061130573127 1.29096034431252 0.585311689296932 1.09737529578695 1.40406629693071 0.596978009313455 0.882290315683941 1.19956812110903 1.10615734141482 1.12689064984742 1.23157935620353 1.16306096069641 0.59532280025075 0.48821516556265 0.715395513294487 1.8446568145429 0.888421485920378 1.20550727257482 0.469774103891229 0.856395731448137 0.424944073171856 3.03440185063989 0.294819957901064 0.875866217001538 1.80509405108425 1.10168138024109 0.517357008630681 2.0881794478934 0.530138779842312 2.67286208514962 1.31820450470954 1.7517959562807 1.03210887790982 0.708821502036887 0.617375557135748 1.65834307039103 0.769609054864736 2.08358805766661 1.54688797102223 1.01566241575585 0.74607749935661 0.717774513337682 0.557816706649403 4.78435566086944 1.21616631076042 1.1263665003109 0.464616820916906 1.65073128660925 0.492553555632266 3.95354379897341 0.68764898242756 1.32445763771902 0.537704464599761 1.4385955551103 2.25682782812977 2.64271223428178 1.69421573399629 0.643055980549842 2.57517680064786 2.08623929604249 0.584156672797474 2.27536798455429 1.6079114637384 6.50591210912474 1.83859715224185 1.02600130166221 0.687412316570349 1.77601427835607 1.52575755760835 0.856753271125059 2.91495274487021 3-hydroxyindolin-2-one 0.503031779824044 3.08492830943648 0.751086259522405 0.615812963295458 0.827342447482494 0.543945417703337 0.389524713365994 1.02625234052376 0.613391643368302 1.64271423807936 0.91839074563316 0.702498268653654 1.08974529971529 0.775745761407649 0.364742093518352 0.642391053428066 0.548582860953651 5.7890168517711 0.811247338856542 1.18977351424834 0.231254007746172 1.70162618308667 0.434239618334317 3.95409238977095 0.304152666273373 0.451827532254341 1.81662861979634 1.1378382537769 0.859301818554903 0.670313181316849 0.632944314771591 0.551640290353195 1.19373380870547 0.980739733757406 0.984212686280042 0.949824300407828 0.735270731269397 1.3245030394747 2.22755020904404 0.565998922717829 0.381378408187345 0.520504270654321 1.43301869854054 2.86492677046195 0.792700130812835 1.25569035832457 5.09489060456049 1.34821094210891 0.904455331264268 0.36055351783928 1.03268525405905 1.52205094005694 0.243129761202452 1.39918947341422 0.772354887526611 0.405586477543797 0.698463590427578 2.52075820145177 0.568176571677739 2.20664067509683 2.33902069920743 0.686800728447944 4.15536204375818 6.1324877523277 3.12815297406828 1.91358401518455 0.570218277887501 3.30770000256496 1.65241747249083 0.465065278169646 0.967260881832406 0.997871085233539 0.903029214866494 0.834026726857671 0.990507092107626 0.909821222458768 0.96975145561341 1.50402185343833 1.35252007079283 0.452001949367738 20.5575704722087 0.369423141047016 1.06294918819094 0.901808295072717 0.431818298407161 3.98868853720471 2.79378510785647 0.66379305922487 2.49554723369328 6.67864672839665 4.67001564624106 3.31525123759202 0.171236566034832 0.728581321979121 8.52641906276451 1.6352912509298 0.950647651781363 0.510577884936004 0.830594813655834 12.4577987534306 1.01992202529048 0.785466950521969 0.74813399338241 1.76070228537718 1 0.500700233411137 1.14636160771539 12.637792084541 2.69908431015467 1.44687203426783 2.99483161053685 0.614171390463488 0.410583014851104 0.566029702208429 4.54256290558391 1.30340369866879 2.21236822530587 3.94490727678457 1.5054530997512 0.555777566881268 0.878972478005489 0.750096185908123 0.475207120322159 0.684920614563829 1.3217149306179 3.0189319516762 0.404139841485623 6.30429117398107 3.40946469335933 0.211770590196732 4.89776848693154 1.14586657090825 0.542265370508118 0.505263292892503 0.821694410957499 5.15748069869444 0.489670915946341 1.62278708287378 5.18680329340549 0.297776181804191 7.15525431554108 2.2673327006438 3.24771077538667 1.24220381152692 0.485538769333368 0.646797650498884 1.23383948495652 4.3621514863929 1.37655628799343 3.32144048016005 1.49828660835663 1.65232000410393 2.29951265806551 1.96985661887296 1.40328571062149 1.81881139867135 0.753846153846154 1.67973683535538 1.06126657603817 0.540903378049093 0.353889758124503 3.43774335034755 0.607607664093159 1.28800112858132 0.6621514863929 1.55557493523482 1.66930258804217 0.367548157078 0.62163541693385 2.63176699925616 0.448526431887552 2.20810526585785 0.578890399363891 lanthionine 1.32951106602019 0.398278630053924 1.5509552431305 1.16128609628045 0.91613868266414 2.00435444841404 0.58070460558303 0.579505716777168 0.782695972398564 2.57112337066172 0.889793413880314 2.37598956881151 0.9065534975326 0.194827660557118 0.663153393576234 0.386982345522914 0.946552009620079 3.01562209392086 2.17057007788169 1.39780559237846 2.10113920771292 1.32960126248719 0.734536325968715 1.79495314556887 2.52442266854477 0.96210069546743 0.799607480776467 0.605554061425111 1.91865727087217 4.62279212051565 1.16066525490542 0.545281753682666 1.15595594593874 1.54514250877194 4.81061737506555 0.951718226237099 2.30695635313958 2.92026533562138 0.811339605169903 2.16800441633504 1.60468073577933 0.262583641586892 1.4947430931397 0.715321186656322 0.986559080496397 0.51567492798273 1.52285410589789 2.23523831124562 0.394014378106882 0.729614364017798 1.34154603986486 0.861947723576139 0.384820922156828 0.687698683230337 1.55979054668605 0.558222642407548 3.13683231983009 1.27881143441022 1.82581482138631 0.786207709296129 1.30960068970671 1.38409441265805 0.420586783979132 3.20647847645658 0.373169777073177 1.61007277274803 0.457350073885391 3.22649155823614 0.515915890806972 1.0134409195036 0.756820120264151 2.07662420300394 5.74566571411736 2.21458661214499 1.82655811927857 1.96091661994994 0.409566355796094 0.888794669059616 0.650858364224526 2.65915248897809 0.674262701489526 0.278243591689153 0.747566752792223 1.46686580115366 0.37512513113875 0.580341186241549 0.36026246513528 1.44103735154205 1.93038083647677 0.843211876438741 0.259974527727678 0.789898522390944 0.977494664747303 0.183755221272672 0.282132573664014 0.767022854928858 2.2021842687486 1.78596773402445 6.08617778645361 2.28246768316549 1.20731921286794 0.954712485594077 1.02143153643756 3.41881610224198 1.75120456723307 0.956217515693033 1.4017854291887 0.18445506685237 2.30005138565145 0.191724112050347 0.420718457653582 2.06172071816139 0.768689185279015 0.700249159510477 0.560668480910444 0.29640204976409 0.344493225883226 0.704146041905805 3.24138121734287 0.4431497264644 0.514190965671686 0.28825276605242 0.214687342505941 0.548900804624906 1.06642640610202 0.496055550489777 0.592931822992396 0.251271556214948 0.265121651661903 0.953356246747249 0.329030127924267 0.191872903302475 2.73928316193261 2.21997864911369 1.52209369042795 1.03992707911909 1.46747545026636 0.333562994167185 0.32048055624227 1.11013350723037 1.2117704414327 0.747043349936286 1.14105641130642 1.44148240856169 1.21719605518839 2.2347168834948 0.9544320206675 0.425982771158067 0.838959475122399 0.41714878433926 2.18442675701236 2.88042614867999 0.336244528547346 0.277629992366219 0.284827933779992 0.555081566903559 2.32656124652834 0.641270545619497 0.965202268869085 1.81773203288023 1.76454969413851 2.51235280117637 0.398153540063197 3.59675727241934 0.807103004694496 0.345067981472197 0.745547536994542 0.73645415303707 0.178274304573718 1.1575913329754 1.97619274129119 0.158631225819364 1.61455955320489 1.48424211760237 6.89116216172622 0.148921609065469 2.73428877946075 0.487721923633877 4.72010489124907 1.81514069496707 0.217861994796915 1.4219301846427 1.27247068861711 0.795782360533713 0.131506448882798 0.548002790165162 0.423833198422681 0.336622431993016 1.52670029392856 0.297172999127991 0.892694843296806 0.773384010141506 2.75177965200623 2.70446271709286 4.41072574249962 0.650837954804986 1.17825422433836 3.09276179936026 2.00740532745103 3.16017411209972 1.17926811163162 1.1537174934731 3.96151902701055 0.319855106288636 0.402087949455743 2.62270653262726 1.39395545413757 0.402007628514329 0.689280742428846 0.420553207192148 0.8731360356941 2.28625988498963 2.67601527809645 0.62409108131409 2.07581638501119 0.808529688957154 1.32722191918989 3.20061241425986 0.49293290930021 0.632031662251758 0.313303682616409 0.646767921527757 3.24737697810892 1.37118051703643 3.69995717313739 1.68844560214865 0.467702258170598 1.23483966919623 0.905602155234703 0.274136689783078 0.564211819489876 0.381308526890892 1.26081295984973 0.434644265463345 1.40370588973054 0.329545630359736 0.382173622932024 0.838981859647055 5.44000568830274 2.56640023595922 0.772867190969293 0.39567544151006 1.08203500347125 3.15063040417564 2.53338767066966 1.590141987015 1.2599669564914 7.07999340314891 0.625434152793473 3.46879942906295 1.26363538506156 1.25743289662662 3.47348832861009 0.754683056527838 0.623328690739028 3.79250994053946 0.553323064981288 1.92569917898172 0.933407685068172 2.24088777024787 2.52281888318998 0.249289867414485 4.3853601258537 1.13894765741012 8.22214336432164 3.23626042814354 1.64674981639752 1.16239083840908 0.869141056411307 0.659538951212599 2.31972869956117 1.96287131564715 2.5842920548434 0.34357151016208 2.39765252173192 3.11175441016284 2.08904234724126 4.41005157328644 0.60070715346863 0.707931660046224 0.793198264672644 0.470776180100618 0.467760852955728 2.4175273461533 (R)-3-hydroxybutyrylcarnitine 3.98117371889215 1.38790590971241 0.843300829040552 0.236229164169011 0.652052903016515 0.63209683467132 1.70402891308659 0.0814973195044762 0.944878825776696 0.417315101031212 0.325912899045765 0.0721185435115705 2.63805296015133 0.560793299018178 0.486278858312465 3.23666508609608 1.15884208522005 0.127344484822638 0.530852443117089 3.56688395428402 1.01994674509038 0.18168166893911 1.92364672657535 0.245808091318173 11.5235951857103 0.601970768727461 0.856436697430619 4.0090794158431 1.63100332445752 0.0503094185074019 0.138265004433925 0.516952904534532 2.83283726844412 0.533480106863625 0.511642773037195 0.851635520023064 1.34965319285021 0.941333180017588 3.96845691885314 0.332631140842466 0.154177648883116 0.213742489550484 0.562027733814381 0.295428126849336 6.89200270326578 1.02156211851602 0.743258181126218 2.53877876358581 6.21608059451766 0.22995300003813 0.283817088737186 4.44706405327069 0.17216370153297 0.206048533278701 0.195847577692894 1.06003978878286 1.08141275280215 0.208048132378744 0.327223055405115 5.33017165426933 0.521799921278261 1.83982056559406 0.21426512970022 5.87622171990863 1.47812692703011 1.2130667926342 1.17108716442409 0.112533896904165 0.114549393348957 0.304224020122931 0.96953172279286 1.3715929629507 1.42956633597401 0.5132742828654 0.521338360400455 7.27043588726368 1.31945212251665 0.0730297721408476 1.36011496051303 0.18496984943063 0.109225755085029 1.03573980086723 0.155879800295882 0.385613644081401 0.212855883876232 0.130213238376381 1.55165489565903 0.170161592325862 0.119561061163301 6.49608136428383 0.107337855749406 1.04037806037333 0.242217442925245 0.883642373332527 0.818956017784467 1.78719067263339 3.49071971582719 4.02706254003471 0.818928884722377 0.586437269974087 4.66673320442539 8.04627137341225 0.481205453817197 0.871712551623041 2.99059558505635 1.5494083498353 0.758551367010284 7.90326214709538 2.16326973479045 0.385592128877981 4.22928829978137 1.37248016626949 0.75916341478312 6.96826621048061 0.457094261811578 0.488375216063442 0.117468946688553 3.67086938275392 0.925557635225743 6.09797700909268 2.95111440984335 1.39810387707552 0.228287962351263 0.247117112152899 5.98529435846265 0.349332257732534 1.81209523776511 0.335664724760186 0.174573404315974 2.60009727262524 0.306455983419906 1.33410421510327 2.0904604337202 0.150933275736337 1.25013975917555 0.215797370770425 0.501775960513386 3.80193498177244 3.49037535304357 3.43376783685069 0.16518661988624 13.3050717789021 5.8655990663358 1.34533897621339 1.52853728770022 3.23682561341937 0.186550679001891 1.31416954243258 0.490804402058431 0.0827716171914603 0.804946871193378 5.09461693196307 0.239785089414197 1.07778248057625 0.282205898823322 0.378946919243999 3.46633791037412 2.43027430569542 3.40588389416098 1.06018621169502 0.664765280485938 1.6480222089492 1.00713617462313 6.81176456104144 6.64947460470894 1.11722367336957 0.990542155634527 2.96380730410079 0.646038985309539 0.307162996910058 0.743661411896975 0.746009975643594 6.19158248743721 1.32835385863818 8.28397325325534 3.81267770213324 3.22911157629106 1.6742487040377 5.58155660584279 0.146004620748521 0.619219507309014 0.425656127045842 0.684479003970392 0.66931682176937 0.224549157877009 1.57137698616704 12.8591706223763 0.259360458187772 1.88356031673726 5.33668813126952 0.15523810935389 10.5225378329911 0.373156759652587 6.27291258599956 5.52217309052869 2.46964151009475 0.392647322666016 11.6793515126443 2.0567389382271 0.747798426927855 1.5980932509556 0.736757661235233 6.3880081666931 0.978703175895035 0.516323525070053 1.09660852262628 2.96895027442044 54.5188271775747 0.110791763071711 0.333099216045752 1.96945564264299 1.7005063364067 3.26496475032742 1.51613771738274 1.86948351678431 0.94457761292882 1.0583513831945 7.59425045633149 1.55165884011299 0.333673074332518 0.182146696155245 0.499892304453994 0.644092576573505 5.9928096787816 3.66508681324815 0.93881960661363 2.5573875020813 4.17294386671475 0.444890181022945 1.10655589763401 0.171246735516115 0.98272341118291 2.08702009292894 1.53581307208777 1.47265967478336 0.90063286970859 1.40374570129224 0.743634039777069 1.50721046183938 2.24943328356548 1.11948557865797 0.137265623235081 1.99627231171418 1.47959796929948 0.691968625574142 1.0487976766449 1.12639213824905 0.76138013814434 0.986033047113395 3.53076530654324 0.295191101024996 0.726723149653659 0.228229632244214 0.444929326740278 1.71115600351272 1.79121586837094 0.274047453215489 0.420721435848178 1.17998836266553 1.19161960116311 0.209687411585961 1.10641240318009 6.49844971006471 0.587636204684649 0.118724478336999 0.713801118479803 7.58223301993252 0.552671130433889 0.667677423033245 3.14057394434758 1.98619112409408 1.43531209057614 0.188505753583746 1.2042215936861 0.495520235825754 0.992863825376872 4.20741110306416 2.37380084117274 0.206347355548418 1.41770751443581 0.145086041091409 0.85114473432728 doxylamine 1.42701026580061 3.3269254684132 0.0316485296980096 0.0995121221514927 16.2604645022456 0.215338054111727 1 0.103574466704635 7.85676811113594 triamterene 16.3300169091677 0.0681214969312354 1 15.7506928301131 0.784567460548148 histidine betaine (hercynine)* 1.24493897245423 0.869142028041072 0.096748587067168 1.62020124930706 0.272214671758947 0.442402964398138 0.268314550720708 0.794027249457952 1.32883804383837 1.14943466285876 1.88539854601039 0.481568183234619 1.00216381820428 0.0884136774303593 0.31241642402527 0.253866499305151 0.787597024667965 0.484850539095789 1.62600824197151 1.6641106860255 3.39533800502303 1.25500799814561 0.332749098773545 0.448019707255843 1.67452850302924 3.22583745450132 3.57412362082558 0.310895518961017 0.666090814761198 1.11553083522945 0.924547364001456 2.62903365125461 1.32589573217201 0.351031667845705 0.777747770305067 0.164686355699348 0.679415954961092 0.434401538617977 1.36913492100806 1.48523541226805 0.74334973053411 0.149355938800792 0.78047140403264 1.29355107824625 1.31830979447554 0.323793143790585 1.62119514053884 0.372508028213828 0.638915707308326 0.503843811469002 1.26147649157489 0.276927181339774 0.252065686479252 0.854946549644812 0.425999932209839 1.80321172288694 0.579737083514198 1.63021779229313 0.22459536380902 1.75479314707075 0.375974073543578 0.165425487132443 0.437852276492012 1.5232722529404 0.451159922456803 0.876251247830988 0.300763076667392 0.54475408025699 2.27570586505166 0.576582654247218 0.628661898758675 2.41123151761396 3.06476803190949 1.38199646397773 1.0584821345591 1.9831836665074 4.47500237812258 3.77430140598981 2.5382352909018 1.2421191204336 1.09184692106929 0.292103430291487 0.262862909706786 0.384762739903366 1.38390770916272 1.76676357743987 0.490478215850433 1.94883045571389 0.572584128136525 0.560987637042731 1.95618787496433 3.63935087640651 0.531252904316375 1.1414868131736 1.5398196125683 0.503665588948892 0.629792463702196 1.74767408677359 1.25999276176023 0.231827043244656 1.25756106308093 1.96350593218578 0.536659716352846 2.2614568105604 2.43278441526066 0.188962887073619 5.02686567816949 0.735105572241897 0.248366749144696 0.700257055917042 0.878497070262315 1.99871417371994 1.08500011480592 0.134549255565627 0.719247048121174 0.578769433635073 1.87709315789531 0.538170780909853 0.802098652178524 0.701254227317904 1.56546397444967 0.288272192803965 3.49117907864424 0.372742013608328 2.09445137532023 1.32483951772767 0.25914757152682 1.52727515260987 1.6517225807933 0.8455499586152 0.778975646931347 1.16887403822709 2.60096743120119 0.890721167040424 0.458456111884381 0.312892048542129 1.05612041282021 4.32640743854877 1.46879192466108 0.587219149189744 2.58450098241064 2.46434292199649 2.57876834024538 0.680410939582566 2.24446334793738 1.39713225751077 0.791769399739992 3.01717933887099 0.640531737275951 1.60081763681312 1.6963033587838 0.172728236898185 0.361421056717404 1.1863737402784 1.47952463789667 3.18209639979576 0.232794693123782 0.3352059454158 0.565931945238671 0.609664252826686 0.334929317823236 1.00265693695624 0.186930275632608 0.150899805048618 0.617359529492547 0.335928676003486 2.44721278566173 1.23297728920267 0.934158259411078 2.24107165310681 1.45147153851957 0.534853436578478 4.62999364740588 2.1880488132895 4.21941597682889 1.544553989943 0.498522283828657 0.514588551991227 0.243140346407723 0.418946475294313 1.42795928654136 2.73312763028558 0.473421336625165 0.237801324532275 0.222924664356699 0.333032286704272 1.02432136035172 0.670567152168137 0.1289904623617 1.1780005620023 3.59966192390664 1.12563047583226 1.94789670091528 0.276658207475068 1.01689943110934 0.73570474979417 1.04006507855458 0.465321505772551 3.60678535776258 0.399421815529851 0.835698517472914 1.33604457531104 0.503594518618787 0.415107584078934 2.13901793924471 2.47158116177029 3.01550645263928 1 2.04157067616312 1.16919768157649 3.14618292190901 1.48007133274363 2.53974854223819 1.56881412047186 0.642175101985924 1.87129381895872 0.979925365219492 1.04274825686348 0.431338954085287 1.32760360687392 3.33434435433699 0.390939298284362 2.41706584502076 0.835612139687094 0.762648058631929 0.444490245323846 0.944934708234427 0.877130333144906 2.3763491062086 0.188935552331271 3.03906244020525 1.85880293509529 0.284942821185956 2.79809247233997 0.94636376856439 3.06181915990496 2.57706702588163 0.640153424441852 0.90141889180581 2.65982350503561 2.35682553983383 1.55846737379823 1.26041918374086 2.46579385012033 0.579657266066542 0.827469666636416 1.81847653640386 1.12806982823941 0.440886432892661 0.288926039840934 0.33047594159987 0.941170167518235 1.73224963836136 0.350835951090492 0.433182409109248 1.80957853107468 1.88334625355488 0.423417345752782 1.47370233777651 1.28956129925311 1.18184820033523 2.11479061040666 4.92802871678692 O-desmethylvenlafaxine 1.37380856763248 0.717866452780682 2.69800329222905 1 0.180852772276734 0.563100569678923 2.47456555061519 0.256909095652476 0.502096974594073 0.000766788941755193 2.06368308691637 2.356498886412 3.63522950921376 zolpidem 1 0.0322310887027181 2.2856782568696 1.88986058958143 0.191858708614684 1.62089954389345 0.588959085311899 dimethyl sulfone 1.66390806892494 0.554864696674603 0.452176046182176 0.394180714523895 0.337171936427296 0.569889195911059 0.184567286351154 0.577344100112355 0.13913484880987 1.39842002756828 2.09349639254849 1.00185735433733 0.791019495317853 0.417723132079239 0.506386580322876 0.741492170226684 0.28788779838201 7.06307040105686 1.31851449883291 0.87920931289571 14.2281784759287 0.319147422323509 2.04718996837507 0.586839014423434 2.01430768152479 0.130836754589226 1.65848043140745 1.08697494430061 0.518456728635115 0.525188443411755 1.98964702833926 1.92437944825213 1.30891976101829 0.119222183755955 1.13589164689666 0.52681960193785 2.71353309361533 1.37703337290875 0.832215805671249 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0.445601500326019 0.748990614466762 0.68358816645463 6.31818954147029 2.35588034772562 3.4830724824831 0.352402454383845 0.721642160350529 1.33334359887093 0.940991565975902 1.50198478859718 2.09027549163076 2.15574378067714 0.553220794722523 2.65919300131045 0.343514976711389 0.990333049438121 3.6255822152747 1.01356750086549 2.89607736109135 0.975601648999323 1.2342889486886 0.738766139018034 1.58367758282696 1.36227648561798 1.96742992708636 0.452013567500866 3.98069477158471 0.403717044969426 0.399051889106707 1.02886492180846 0.606633802786987 0.615728361131701 0.286352215550803 59.5181753113113 1.1353404937228 1.84400135080316 17.4238962600169 0.293654198640276 1.515990875707 1.53523982065752 1.8863233304519 0.624902565888822 0.946009289957543 0.212291671533947 2.09417179412571 0.511700588958671 0.721574195411942 1.01316926880346 0.797631209499799 1.32945791589764 1.06215606024242 4.12630752860368 1.24178420707218 0.641558223651374 3.17461679456111 0.425129186480924 0.627925943703792 0.441163602226701 0.956223145884617 1.97725723242522 1.37102484755677 1.12786859828686 1.21525770393198 1.5237802948404 0.632548621479894 0.575306213906901 0.463860705858365 3.83355174149536 1.08734768951067 1.46615027472703 2.67598565090234 4.83207881384191 4.97868768199205 1.70669624557431 0.693091576383034 3.14796604301756 4.04252375056018 1.23346274990389 0.96532726179882 0.391067070774864 0.376527883678008 0.653868373153 1.04384588100614 1.69819213263358 1.51121846267557 0.570162117617574 1.08377634437834 3.66260611557013 0.96031378562584 0.288682138601749 0.610222139153964 0.327635605981764 5.65445138489182 2.66960225643596 3.80906100065629 0.589159379904892 0.422695192117766 1.46147556129482 0.937733496732373 1.85599503855948 2.01181527979254 0.586467331165535 1.75538781431129 0.452611446570001 0.924802105213973 0.547972627120984 0.470608349917486 3.93229523969322 1.30876683990646 0.398814011821652 1.84462790258076 9.307595506668 3.05959781747591 17.367437573142 1.33370678651151 3.51155297760768 0.806476209085638 0.246946356548316 1.69991568099807 181.825604091489 3.41893906730865 3.75062071104069 0.219502326737194 2.03313078365698 3.10054669297476 1.29363720740563 0.180024254987458 0.799325023203655 1.54110285856284 1.06169942081129 2.49521271963826 0.903992090580272 3.36808324005854 1.67658140606715 0.793204992874301 0.202242418192515 0.434436135258723 0.998142645662669 1.49121659363976 1.02400649065164 2.98219424804229 7.38298030503514 4.98891215744078 0.617422174835557 0.419335175466356 0.492407042017199 4.59809783128129 0.662075139487417 0.906615112428876 0.495341215850273 0.442102367940938 0.256394544964117 0.679242658193704 1.19887496787595 1.14803613186048 2.41151071191149 0.297070498756454 1.7775029681563 3.68614640922114 0.952930032219629 1.92742725096691 0.442937062342964 0.453273042769062 3.00547330146061 0.712247069543 0.654828377910545 1.00317098916596 4.7224662352309 0.253957364744463 3.36296994038201 0.461029541385338 0.642031854317154 0.392257519152307 1.28890302465216 53.6511476517052 0.336082373505568 0.567615556324881 2-piperidinone 6.28584366434556 1.91034922058547 0.551329033147051 2.32960115856818 0.487134581436181 0.466771210927966 0.404312012486257 1.75483063537475 1.02527332142101 0.868854468329071 0.907922465005431 0.0550432148575265 10.8544400323014 4.37468083473625 0.539652078912924 1.58247939372325 1.47164663670592 2.85810984652232 2.35447655666451 1.67232509789683 16.3949617755239 0.654095596023012 1.9022831033375 0.473769355797893 0.186706469764209 0.0779601381559026 0.197093229705641 2.13623587449091 0.560843975763817 0.693211804858709 0.889864973658629 0.0409531920678618 2.84815315134512 51.1419050707965 2.60036894989303 0.658370330590854 1.03884262213247 0.114146016560685 1.2447965854411 2.06404550920268 4.62915406960606 0.722126182370528 1 0.831555865589728 8.49137571358994 9.40174115868198 1.28068673184459 0.871866767120199 0.38120208676374 0.605443221993234 3.22239938460677 8.35436475366662 0.355587204877379 3.6944922336901 0.795361528911379 0.212280521257256 0.326202854928767 0.803173052124957 0.591405025352522 0.32160247682856 0.0891042211552495 0.521713310969658 1.40164142794727 1.34641882079671 0.0532885075591591 2.14066485721127 2.04671788997139 0.288588912372132 2.35030785808985 0.0311511295101629 3.82680846731623 0.136722379007857 7.89504789612748 8.18405111011765 0.974641711376332 0.263923817714055 0.112194385274976 0.528296692861171 5.61545904819201 1.0432311589265 0.57161812463466 0.470146677228744 2.32830135260097 0.884325188938608 2.33356039953194 0.488282753626331 0.520726922484844 0.356907925848315 1.53344908865178 4.31830213537575 0.298551605234226 58.4761759653082 32.3726755318601 4.34979236476259 0.169701264542656 0.496324034307373 0.0679228586996189 0.577679861727219 0.78068819281911 2.3107289047966 0.671040670608837 25.3135511231126 7.39550210541808 26.765897440511 2.80141703763886 0.791665263362188 4.22358984816476 0.982487375257766 3.49132304161363 15.0863267547957 1.81392090345434 68.8251998574704 13.1069505632364 7.5828896199913 0.064721248367361 3.14289945619452 9.57546794629581 94.7463464487323 1.6354666329566 2.54000532717448 5.66362207264919 0.0893283654047999 3.71948827752488 0.417762051540413 0.347670337711182 0.0589290226280348 1.55764374951269 1.32439024690316 0.750921836478812 0.599160493280363 2.55550011541699 35.8830898196373 0.216663137259787 1.56887233835432 5.03888698962201 0.426319825162872 2.63146048702124 6.29659120810137 0.37439156178023 88.4953403370914 0.916260784875499 0.174027210112281 0.0203101602781326 0.947395689879091 0.855643490843304 2.01291447655051 1.87566822283522 0.648338356778899 66.6560844437124 1.51841635282627 0.641277928258154 1.11605205006252 0.97873013324549 2.77300608119112 24.7724695959667 0.763253614873889 0.0492481440625457 65.3844563690723 0.683811740975676 4.94256555431142 3.6268334269126 0.0696222796462104 1.87459233043737 0.334955245736684 0.11283936708123 1.66557624141697 0.689197892690345 0.713455375455843 1.04661170019142 0.487612089425789 1.28163359712382 17.3037435242304 0.928072994593318 1.97452806293694 2.79774384010849 0.812681612589848 0.304716379477522 0.554765399017518 1.06830025148754 0.881993166022531 0.441511422744667 1.1280275044602 5.40722696423796 9.54401162689663 3.92893804529913 0.789029127064645 0.596811707603942 16.7190239951994 9.50815977340439 2.41032799800815 0.855182976294227 5.72705474148517 4.1408013429893 0.536005102030616 0.965472865935287 0.55190227341477 0.0637314765731197 3.23738821430313 0.784422905066337 3.72899068651808 0.661478207873299 0.521695087234789 0.955169073968218 0.676834203535897 1.28213186633037 8.00419276620763 0.707252923448472 3.25576696625872 1.32613026756288 0.173119868038629 8.20370929129049 4.01463681172913 3.13641126832735 0.858463633037647 0.813665540485988 1.79120121171689 2.66599984713593 12.5676358156521 1.82472765512512 0.404160071135619 2.06126296787901 3.50277754325292 0.671999761938046 0.379582865629252 0.622373763727201 0.0989764104901662 3.20497826300586 0.810113373161037 5.12446111185698 0.133130227116948 1.38118317098831 19.2635920996034 6.44721568243889 0.0965779516798823 1.48778179315092 2.39871132819655 1.09833104421693 0.677923167811071 7.96784864119373 0.180686408892321 0.251889232294796 0.517112625295867 0.191431645846242 2.35121973687387 0.115921177502407 0.0442706807480005 0.106334262666918 0.680889868818329 13.9323424235168 0.777719800157139 1.85940657675368 0.474444787388991 0.358991890668663 5.26047914735681 0.308879926194643 0.543577102315429 2.95494139262245 4.28746826801778 0.0221720569706247 1.20178526473397 0.300644182114934 0.0649445467895546 0.0341734244427805 N-acetyl-1-methylhistidine* 3.31943705087046 1.0700110221743 3.16673661816589 0.406674431924837 1.17265201214846 2.79734745840212 0.897898085799685 0.126253471503588 0.295100186269933 0.709465111689762 0.445361301097886 0.378141921323816 0.398300467359443 0.0656834951362851 0.460603668603168 5.15570289223779 12.0593666822293 1.01673974673065 0.598368814466484 1.01152466993642 0.0647815058504161 0.341895332662697 11.5399310753118 1.6856326679919 0.403288362220415 1.39309694218894 1.87284983370475 8.1642905618421 1.4090670619889 0.0894307456091797 0.394927874549366 0.564650587448198 7.71518460938666 0.653761738134317 5.36776182477149 4.32257620461776 0.572214494399869 2.73593421350289 0.271145006569986 1.68789293570077 0.205598205647781 0.291531697174184 1.00127115992742 0.164842151874973 0.523837738192075 0.485521002295885 5.51549746586255 0.239062778261769 0.607925376510736 0.870899534565827 0.881076033749994 4.31519182915149 1.78447028585456 0.308908227162681 0.242376169000255 3.62779416931793 1.75175897537098 1.44120030996857 0.222772582221088 0.191607264046052 6.29902581306585 0.491032089448073 3.0501542623085 0.231930613246825 3.22759875434991 0.438619003383663 2.72338193037259 0.691146161732359 0.116726269836304 2.56299918657316 1.14655304361219 12.2530012562391 9.4434331425711 1.15982393400172 0.433803901560913 0.431680328066114 0.822636850642318 1.12314993526278 0.116057719613213 0.67203640686744 0.489203082358264 0.44826557182944 4.15192069810313 1.46016711348989 0.243112103695076 1.22423241866935 0.1380683759861 0.125857828391003 0.590638852923764 3.80167835466373 3.03341692216612 4.79723146084722 0.554667577961427 6.17411858704389 2.3504733759139 1.13996187964171 1.65549833223433 8.51625746644013 0.326433484306638 1.77280603379813 1.40473327782136 11.5395113663164 0.288667857125667 5.64253452250882 1.13825416460101 0.412633625814029 0.467144775537512 1.23612625924732 4.35251416277201 1.32391426769925 0.685475758436295 0.284518898937732 0.2938968921319 0.118277556639055 0.485809311571358 0.511593017043458 0.257384616125104 0.134684712869953 0.233854439914711 0.321134658240399 0.367294946645938 6.80805003778344 2.86968757671 0.120019926550926 1.25206557471735 2.16408985237987 0.271563752930021 0.0923037306931456 0.484888550896935 1.76049055895419 0.410498982013159 3.0952864562025 0.254792239234127 0.301104624018714 0.410536524790266 1.16362008634839 0.202852288424792 1.82021293493067 0.357637307894091 1.36632797947662 0.899838758585504 0.150853135543865 0.368077087835659 1.10854675760362 0.359599158656739 4.22788128781352 2.20880474386681 0.815813210244365 0.875560614738909 1.90680535032706 0.434941736497836 5.40397905305565 1.85045893638425 0.720119559305555 0.705804690921868 0.0508945288622132 1.29846604063284 1.85506129580339 0.380142758816536 3.55568219557862 0.505553443105847 5.76696043087557 0.241249404369402 10.8630891929747 0.422522297040378 10.4291346389877 1.31413581821595 0.255398699479696 1.61222065526586 6.00427843263719 0.430739352050173 0.282667751235783 3.11454975139943 0.160212838667135 1.58059952927133 1.84544986354645 1.27685632186674 7.45027940489885 1.44890187376963 3.36079475171229 1.32370681978986 17.2769723194217 0.584271982980608 5.67749936225411 0.240042259690128 0.813262226671737 4.82635888007008 0.121096152827982 1.14405019180509 6.15156548567358 0.572778117374123 0.13900646409611 1.1486539951772 0.766323647617718 0.728599895072751 1.30916236288463 3.63911812979212 1.35357931874299 2.25771287476596 0.430351891337726 2.49988063322151 5.84520776076587 0.129604886336836 1.06459331064723 0.0947098376515549 3.27651747423747 10.731292386036 0.535643016321482 2.40624894711763 0.574366946953981 1.10703686411921 6.15256518244346 0.19744612852144 0.172052771667718 5.80192912116209 0.239796787685969 0.971338014949726 0.0821195304264956 1.07697087546868 0.443102477341971 7.87110313193398 0.29450720291871 0.0988621650630767 1.08308168441927 4.44872186096658 0.898906446287356 0.357295091041235 0.949970398964204 11.6980025317309 1.78573085679356 2.76546353296785 0.392485187449161 0.564319922219067 1.97417153198597 0.207832000885625 5.8110476841401 2.67843889431708 0.400408157371621 0.429675640032152 1.89120247589802 0.998728840072583 1.2943815790107 7.25207135052921 0.261526835865866 0.740668935277215 0.617425624389328 6.5104932062013 0.808608366263483 5.44827279159427 3.84235162179984 4.90001877138855 1.61685237506197 1.41510615460886 4.17671962765266 0.238107362716172 1.75280969181231 0.349872691480196 4.14598653273201 indolin-2-one 0.944150538148227 1.85732250036782 0.180867852826929 2.21078132407476 4.35710180866595 0.407428319209484 1.06339699230534 0.399892106279088 0.374686724671069 0.509804118823933 1.25560626085382 0.919089769336303 0.839537641453321 0.153298366378405 0.440029073459528 3.88082019347935 1.31442468628455 0.293083610088692 1.80824091737328 1.00175170108661 0.835853158909343 2.04174405547095 0.820626060231858 0.388162122261945 0.345453562316169 0.504476080414775 1.47135094759107 0.622794497671734 0.378154916772192 0.557893532287007 0.33793243941667 0.971909907485536 1.75110125787983 0.626177179597775 1.05783505841728 0.22758658848354 1.28096380027338 3.71940213297587 2.16906493366045 1.26564867641567 1.21821945180433 1.32115609756711 0.580928464451031 18.0443370257801 0.594877940512583 0.346728669926952 2.93359631903846 0.162525920271822 0.589863020244534 0.498442583061189 3.8229536974977 0.857716098673712 1.64057558407851 0.234135661892768 0.235264899204881 2.32787870633165 1.76616110871487 4.53738618029821 0.432663880879296 1.65785744196311 1.23884123652743 0.153659269617354 8.18668883224538 1.19402887477412 0.824617373404072 0.665857673343586 2.37665471620053 2.59195173202117 0.21875640540374 1.65588819293108 4.33776896408195 1.27605073771389 1.57412914802943 1.1953241024261 0.672311176557134 0.501019205836824 0.279853425499889 0.58976367754113 0.767314238575904 0.833787082179051 0.281309613481434 0.718236428089087 0.694248308973413 1.203920390027 0.671634640171926 0.624005472651205 11.5323813200507 0.315900994307286 0.315756381511191 0.887183156507513 0.382282040222477 3.73015126498472 0.472751805459322 5.44528794922708 0.991983421086055 1.05052268094519 0.507394743890738 1.75340248759159 0.236874502500544 1.08266067424773 2.51260960706817 0.402946580033123 0.94597265937902 1.96195551710392 0.26703318675045 0.593004261676226 0.374454086694743 4.54389627112762 1.14197078318518 0.232840434240789 1.08361889120968 3.97714489070416 0.668778851824699 0.809422969793531 0.523796349973027 1.1615815358382 0.377827966102761 19.569898909368 0.120536651798795 0.852707465918537 0.535942567342407 0.864090379225052 0.534044995957129 0.243365730791334 7.0265056392703 4.13846989601711 0.510451732649923 0.832680479913283 3.43628423079196 4.62625137224968 0.707857001837211 0.171261790658516 1.53998040810989 0.441516699005441 0.377397900222201 1.28390384129312 0.155497738381619 0.998248298913392 0.227268440332132 3.18567402766757 13.4473603134702 5.3479358723987 5.63663708601443 1.20325894367269 16.0044050315193 21.4383226424656 5.21310644633545 0.151365584921035 1.20836314662354 3.38502213833283 0.597314980502423 3.67750843469852 1.83828516888888 2.1411634665322 1.35194227560181 2.56265443703496 2.33467802275325 3.94611349966739 2.83834301400732 0.75083969734428 0.772576886851176 0.83238245180307 1.28502804859493 6.12607217813279 0.955441653766786 6.75405764643303 0.385979097792203 0.537089409690566 0.769319955182608 5.63590270451079 0.674793486639664 13.4276313555752 0.741006027209841 5.80142651092078 0.92573692794636 3.78357248936467 0.945170372736338 2.61341478596677 5.99647019027271 3.51350494890138 1.47409104570142 8.46251321949582 1.09733950180263 4.91431754706518 27.2064731202537 0.64608218785328 0.920762247760702 0.453669203887695 2.89592028439678 0.37212519192633 1.48050053632485 0.322509170337526 1.43759957848514 1.14868836193942 0.177605891148062 4.10802953119047 1.56880739713315 0.559436487946209 1.41757007747473 8.96856872314446 2.19393204707587 4.18982001365648 0.911157443094865 1.76576248039868 2-aminoheptanoate 2.37321724554487 1.57133593040351 0.702100911159598 3.67140077912105 1.36006372498525 0.213115828705741 0.762812889209361 2.60886975942765 1.83766984745334 1.02529568205868 3.12341741035894 1.34139689288022 1.83660113122384 1.00373758041709 0.795539251032429 1.24698231058088 1.8253392266849 0.168459175742366 0.997929289145683 0.864378388755186 0.440059417344808 1.3189959920215 4.57969017764335 0.559420856471293 0.5485920570856 1.07436064314945 1.00499592647045 2.29851597104517 1.7712221525092 3.47868654424228 0.586308492606778 2.13731657411483 1.1396729002594 0.378855806418384 2.06112050155918 1.01207543989437 0.880570668714357 1.28696493955257 0.665731783831365 1.93267555975915 0.873581287984493 0.922086724039443 0.688001582589641 1.17912175639357 1.83995242866641 2.0528821392117 0.842458585782914 0.711688922808956 0.841155758659762 1.23659598078418 0.599535758097896 1.63739266015526 0.78178757713954 10.9245203067789 0.704713588732711 0.415324430876418 0.319379933887084 0.506885201382191 0.383446721042824 2.04637151525935 1.22429462387744 2.07500678921592 12.6039066084823 1.97278812027681 0.445541123919578 1.41628194443144 0.351156976036409 2.34139806343469 0.817701358779627 1.42138205024956 0.924225327052918 0.889253841759765 0.39873065073464 1.13983911899389 1.10118623989811 0.256995233502205 0.580754211654977 0.823493262288481 0.207657533220336 1.05295705469767 0.164462902787793 0.299379840242726 0.68959236611198 0.478515643289914 2.19112462191091 3.30832053527115 1.6380434884396 1.25169496287001 0.842971288640003 1.43761178795172 1.36287188515456 1.08833940460918 1.41827305758192 3.75412035172821 0.23116577860601 0.837460318203527 0.627091780834746 0.623856368284529 0.541571071385094 0.494725481566108 0.406808647119968 0.872506718982648 1.04471401013232 0.759336342438686 1.49215143229045 2.35696292619888 0.540807869871801 4.44599529905326 1.0820582093326 0.826761450363808 1.97667084944797 0.293463857960239 1.33114985906524 1.47687335537097 0.790789141000309 0.600714506447414 1.04637151525935 1.38408818489142 10.3368282187907 1.74134843192523 0.674595222264883 0.894257962111493 2.0218636163578 0.71541830934477 1.54599459672058 2.18559843426634 0.751878739921526 0.225289595175443 0.188222817384139 0.466973976233062 0.600613838763145 0.675858250536114 0.710755990897768 0.921440577972974 1.43865826364632 2.02595587477877 1.60328270295073 0.471975755475854 1.26798322829558 0.780202646389542 1.55432192120764 2.18054398007248 0.753571361682602 0.546420678547014 0.30557792615206 2.49163872943336 0.644822169365185 0.791638963544252 0.422291571071385 1.90515348310188 0.477485555357862 2.92374071750307 0.626725397286187 0.672092576811784 0.496608903705507 0.859910382349911 0.513041147330668 0.784977338065495 3.02554735126935 0.365176706902526 1.02356443200015 1.26617120997874 0.837782220682293 7.85076132862614 0.477095760719938 0.304902516223885 1.00018026538811 2.20661925140701 1.57950640059183 3.22572152977422 1.68115735061384 0.815629477370841 0.948607976626368 1.57136285315628 1.5643079213762 1.91662842855404 0.572224381244908 0.163503048123835 1.2653986440297 0.72671533051776 1.89477651774092 1.91605368631013 1.20390239448622 0.272535514622566 3.13261796847931 1.66509500220064 1.41873893826028 1.84491909127516 0.660229007276167 0.183298294736251 1.80017581728113 0.596130615149784 0.791733778456179 5.31540004869507 1.57247956211898 3.09566122280802 1.48700099263019 0.600165516401809 1.01792235946323 1.27237046644255 10.9194962870012 0.642908312809612 0.542288621274125 0.969725949787895 2.03563636023111 2.60520124172418 3.61013278769888 1.42375710526562 1.2484373097849 3.47522404412522 0.964884536507253 0.506598415537472 0.539800022474646 1.53730557090283 0.175765776733123 1.66839713635555 1.86179029282591 0.967814434341259 0.115334731755738 0.411053077621808 0.850181904164365 3.1545483064418 2.02214571998464 0.466876820212198 1.48475821026904 0.202967121466096 0.799771975989587 1.18516181744969 0.257701077846554 0.561025686647251 0.940906898779814 0.691619766450972 2.21637816400873 6.22658891063519 0.999819734611891 0.884130324852276 0.386527620403233 1.10415476602957 2.65324079710077 1.01730664781294 0.631747075954938 0.615641417026417 0.465307106670288 1.13810201616302 1.46204008914943 0.113187934860985 0.300102072349631 0.862236274078305 0.663946688267298 4.14685659303099 7.9215576334198 1.37034236377087 0.512665399346362 0.860574086733404 1.29791547660296 1.28232603219493 1.34129037242361 0.337347944974576 1.99321663685655 0.937302761572101 2.10111249496662 0.872121606562597 0.473239954301554 0.936895408617154 benzoylcarnitine* 1.9191858620233 0.656947182473946 22.6451064021168 0.84994015895979 4.87265102054584 0.375481914013797 0.258215962441315 0.71164489152406 0.565961316952629 1.10752023226819 3.66190062139736 30.6031389686353 0.35603170200911 0.488993746049117 0.63137669372631 1.31947869584011 0.350244985970462 0.566553480899589 0.512409207774588 0.178935953846192 3.0071459446764 363.483010891319 0.176226241607888 0.870389803786351 2.24845525164469 1.26000119931939 0.343318916514878 0.492296871525409 2.74670624420641 96.3114707403549 0.600151913788925 1.23514155716631 1.04445727049899 3.60084776889115 1.1106322162173 4.62900553935642 0.266496263370537 1.06638732519295 0.806473576245481 0.234674322322082 0.830145142631557 1.15629505255767 0.572558822868022 0.251770870031257 6.84502170018515 4.91979551604465 0.246913626516952 0.652790791225979 1.18887656255075 0.977997486426453 1.44216657047126 0.686131870163682 1.51712278282075 0.473696177419315 0.459933987462115 1.02200251357355 0.134026439995303 0.643233714866813 4.41160391477836 1.08211464993616 11.8058889080447 0.546453637560684 15.3389738823218 0.777961007128455 2.47651332868597 0.465024848398534 0.768255265137035 1.11117815639625 0.801974879256022 0.745798009629535 2.85352812279032 0.863392524742209 0.151529007288364 1.15058204468964 0.446629038020923 0.371945171115392 3.19853733006519 0.260128627004175 0.210344379564597 0.323224070340082 2.42452658116519 4.78270956232338 0.208850227495896 0.339767182124144 0.18632551027292 0.302891858870091 4.64523632838364 1.84905191303935 1.51081261384165 1.85868394686016 1.92203299627461 4.98003632938308 0.220947112513649 1.30099793367264 0.268577582222089 0.582020953109111 2.44816566598455 4.12432444587697 0.955211667378762 5.82531163564677 0.236653199309392 0.406856608874464 1.82595626981688 1.07295234954164 0.504037708600369 1.14271400979944 0.293319791018597 0.741210612977136 0.303134221329396 2.56410112261292 2.31892026275089 0.36777253908407 0.466130470957732 4.66347472809181 2.49727404697834 1.74038608089909 0.379258520789452 0.744472511849525 1.58308534906441 3.61714477034283 7.4469251199944 1.46044744607435 1.07157313224745 1.7011146174546 1.44927628570786 0.357505865421373 4.03519002965817 0.757655030770038 4.02043215475218 0.16434798251992 2.54171257811192 2.49933162930037 0.196052490211805 0.974681868039887 0.782605871168112 1.13322939231986 0.58647217703953 0.555638425193703 1.02397264552367 2.06215347790129 0.946281735115322 0.469382375501903 0.798707983219523 4.50547314399079 0.26933840045774 0.370344829309367 2.32906950305702 0.481059498734468 2.90486274039483 10.359728354159 1.84980148765576 0.750619023704048 1.22184785134436 2.98350935843909 3.81036886566873 1.30598260487174 0.308106399618217 25.2759459007014 0.791410874328818 0.56471577379837 0.330068935878889 0.620441649363986 73.5571962911048 0.533067484202715 0.250793924447876 1.84846974342061 9.37430133399296 11.9798926609149 26.2159287104568 0.511605913644007 0.23714292139211 5.82207722117698 10.7560384481807 2.12067401749507 0.786402466600204 0.362399338375472 14.1749232310664 7.87949463679362 methionine sulfone 2.40493213184173 0.599896705522813 1.20374802999064 1.40164112934208 0.622891308989964 1.54876773375473 0.744494944329138 1.79550222045606 0.397501519972033 1.49923499770883 0.602275480106433 3.17401139012474 0.8459851939145 0.592912419757956 0.742439984554768 0.551120896789209 0.991821269885859 0.931958759859427 1.3896470940598 0.716369711357841 0.267192894279603 2.07474282007952 0.855311876075339 0.880723589884384 1.63622367006322 0.492129668826356 1.24058021088582 1.60078788955452 2.03835321327879 0.964727350377575 1.50817049200438 1.45199849201809 0.487255644206317 2.44846768711561 0.576897044998187 0.851700647645932 1.88212618924455 3.67653641154791 3.3955400341955 2.06319413211677 2.78198731592107 1.25435123091226 0.184738550944226 2.39637151232283 1.08905315081597 0.378618467362485 1.19494336666587 0.543441510317947 0.642053967938582 1.80148863458959 0.761156154267659 0.691981806991039 2.28890284201736 0.465259728024924 0.480837585747711 1.36063948612466 0.931756477560449 1.48896917103572 1.68330503828111 1.77891262497661 0.506667893410931 0.636901315764789 0.546310819476588 1.71346174017915 0.380658419095319 0.467252208669852 0.772071241868129 1.51422215849242 1.9272426459373 1.09933235422175 1.10868024339781 0.813935358081268 0.31637555144357 1.91973585194371 1.79129050723428 0.443853856259177 1.75677967885075 0.784712906768904 0.176931269858127 0.606658970151452 1.37542061259889 0.543847379962992 1.18090399633151 0.80805563154736 0.398310649167943 0.277383354483253 0.762070013492556 2.98921737467918 0.154124103779302 1.48280836998477 0.76453704188565 0.920112521160115 0.477118854064251 0.409950037903461 0.693247702668511 0.286420479320958 3.10228828588101 0.710349202869081 0.873368018222373 0.896545980805694 0.825683718248816 2.12490393629935 1.65741453532086 0.517744154327039 0.528800350144134 0.303941878422792 0.873467201801226 0.712083610451926 3.13408380066254 1.55570405903903 1.91755642330312 1.22407006014799 0.501348358340483 1.27960062948946 0.733342338158256 2.11435148865906 0.693590930053228 2.3962839110369 2.01125962003228 2.20748666364222 0.118554392812975 0.435468928704788 1.59188909970837 0.849575704721351 1.91906668904822 0.308418026811214 0.780085372918022 1.10191259544992 0.81003620363759 1.76781890905567 0.571176534209281 0.418018980931141 0.444787617452199 0.586901699122372 1.48985040408336 0.521618512876002 1.54100286669906 0.335775402700828 0.987154095229612 0.580600279247451 1.25202090620186 0.978764110617749 0.219218710721141 0.590560072377912 1.51020897555924 0.705058541965502 0.861678711435655 3.92726205851277 3.3270534467354 0.666487222691767 1.50208179480516 0.372291272807533 1.44832331628126 1.5333900376294 1.01140823226967 0.96166913565263 0.654801994177206 0.810681386292797 1.96214319400814 0.793439104137375 1.28792846123366 0.808051879536976 0.379933139174953 1.91208860225705 0.510049433552467 0.450675337399534 0.836373358964458 1.66167584033206 0.668924235001787 4.09872713863368 0.615549766584171 0.978403265097315 0.674744418762205 1.11322343858049 0.278350068115302 1.52771487722688 1.95256594280599 1.29774420979154 2.63843915062968 3.22587689784434 1.4001613690727 2.42320670624548 0.444144555498514 1.51888917001778 2.61512481062543 2.41007140728285 1.40758023551859 1.06831007984115 1.42876832755116 0.604865672318663 3.38303132096703 1.59934352868746 2.31419693845741 0.575609452912841 0.645527350769089 0.598096719323686 0.649302199477427 0.82734422754018 1.18407738146217 2.10079302817744 1.21653063997715 0.475761115697808 0.554441915371938 0.842362709453941 0.609304300603242 3.38307977084026 0.486084853835542 1.17100488789075 2.08817860613467 0.728560319358073 0.820226011317695 2.33721062823825 1.10627145273111 0.609041496745457 0.508436884741667 1.01499809055298 0.292059587797614 2.81918931453544 4.12048406806669 1.46908579983155 3.46477881817219 1.45318363790686 1.95472693765643 3.67422941455424 0.309397627783278 0.677011122426957 0.498481659276022 1.92448475517398 2.33891094146587 1.0126401967228 5.27957126592994 1.43404577485295 0.721022530496096 2.54548325649053 0.530028562586877 1.26747380566576 0.585882131083171 0.397634634775231 1.67965351652279 3.38950794341381 1.48363968498121 0.646983293929068 0.706184308211666 0.878292124024498 1.12872805053534 0.913228560890316 0.526633808843554 1.48987112170592 0.255379934281091 1.20902906617192 1.23169789725919 1.2366815458348 1.07543270059757 1.94888701505878 1.99906134488039 1.06936260031938 1.00817873011414 0.344544503492388 0.353819146900505 0.827212417784073 0.437678373428458 3.38106053672998 0.723025940910404 1.80290216371914 0.513038480781632 0.895916132453797 0.580443836727516 0.641236682198358 0.494783482084232 0.771593268371352 16.1349040227587 0.742817143163829 4.10181226995486 1.85116019501971 1.6635885499736 2.6080392205802 2.59124049130455 5.86121541971864 1.69629808711092 0.343962941882827 2.45428868653046 1.85057390261445 12.3326630285216 0.938987417225349 0.673768732931412 4.23711922600267 1.47366635198719 1.03851732295038 1.60638164764479 1.78835741389911 N-acetylalliin 3.41848015932423 0.262429059433564 0.250003402425249 0.166480667419737 0.966674378830564 0.266713846963449 0.158773040089643 0.423479456156348 3.80847067789921 0.683118526885964 10.7514505672977 0.243148649690833 2.84603572092855 0.340369548747681 0.264121198923926 2.08153345037676 1.79102757779078 0.305458397412342 0.75140746991122 0.656640853600447 1.21103882847694 3.96608235683729 1 13.4495692529635 0.304140524699339 1.31305261056748 1.96714391351489 0.341040960663428 0.585759262535669 5.2018613534394 2.01021408059665 45.6240683025527 32.192216612001 7.87032903720439 1.22760183458769 1.09369598649918 0.287568445454587 0.534276031955578 1.1427158611992 0.301781509860228 11.8460062332431 0.687412387549846 4.71991008524209 0.259507510286666 3.73270093589377 0.509674229123853 5.62407283911973 1.31160998226202 1.97894806084444 0.48061071264931 0.19817085618629 1.27393379334123 0.287679591346045 0.535639270338564 0.249418185282469 15.140556455308 0.373729194169604 1.17945978560184 10.1838421093222 fructosyllysine 0.731903145587643 0.821620387934235 1.44000338073321 0.709813365065465 2.82541374704257 0.808333855900222 1.26738672617294 1.04991202224509 1.82628994399871 1.30454021088903 1.86528317275713 1.78566962846597 1.03883897735979 0.463376865083885 1.86982418145127 0.805816113653846 1.0901112709414 1.95528550109554 1.36608785315572 0.710406518193047 2.29470588778269 1.58625173212885 0.861621846311095 0.926607238989547 1.17066333901155 1.2586870017479 1.1172147528815 0.945064256122562 1.12002847265711 0.797305466318315 2.88735228658706 0.828432391094632 1.12410631872271 1.32387149173029 1.60938116435491 0.628866533221735 1.44212227487948 3.28989071186299 1.64616695076788 1.69744670505262 2.01261174683351 0.63886104361459 0.993481442086387 1.92399487651189 1.50862213583539 1.00092079780185 1.11312432709019 2.28968140374273 1.91698824157789 1.50498409005058 0.446130932453653 2.09755855025033 3.7453261758143 1.11383173244524 0.737351963925268 2.74878426617218 0.650415494453607 1.31074593661926 0.876350200068012 2.04947355617764 1.2396941209741 1.47133228907088 1.42129166499777 1.63553446857099 1.04613075274329 1.17130937055328 1.67669620242859 0.787065079468333 1.36155789937205 0.867850934389079 1.59042340878927 0.908689570789289 0.557672092894141 0.792776002653832 0.645648159611996 3.98066561507058 1.76398833505451 1.28023819574494 1.36486326314654 1.72338969368123 0.624484159770032 1.29851904226028 0.834732982115742 0.525409561969322 1.45884301757559 1.1441329153125 0.950015222284979 2.06303542627748 0.612368522465743 1.3534500210901 0.599749151556043 1.59885678066685 1.11103396877195 0.534671235267256 1.79455919238814 1.14509044482428 0.93882378638798 0.851644599005042 0.387944146344578 0.957523303601524 1.80274646997785 0.639519001389787 5.89866230409766 1.35529983980455 0.582793423940215 1.88567534380023 0.68463866548606 1.29211922933333 2.79206042864571 1.06740813348973 0.752237210278638 0.355560828269835 1.78083792463824 0.66519079073678 0.446431375513226 0.964555370275377 1.09376271331723 1.45776034429892 0.433895488237807 1.17166998935706 0.386982205760148 0.618236283790008 2.08431062871645 0.569683280354626 0.787520890309121 0.957395273579219 0.494014378626491 0.422855880372363 1.06332348021325 1.45654343282363 0.429809364603772 0.559797304132105 0.390242369654369 0.347616377506786 0.930894148115814 0.436489797992205 0.750944493702935 1.99708046893841 2.76311611350953 0.654843939108573 0.636827920325463 0.657861112803081 0.486934498103389 1.35982848660372 0.720423955272159 0.376088980157552 0.764019784368798 1.63850535323148 2.00338438187843 1.67208075007622 1.13868583962086 0.919071547625657 0.590167757177312 0.372680636896809 0.49852755944254 1.17838304290005 3.11809233850866 0.721102879256879 0.651799754401277 1.68408888790623 0.594037139216802 1.21334999702253 0.63791489575941 0.589729917373257 4.18817358202598 1.4249451767657 2.46725398011494 0.554395428320737 3.16561914128886 0.696584122518251 0.520656222753288 0.267631540705174 1.02098693067245 0.480957930320355 0.751856877792131 0.634849472554156 0.926623031718798 0.84341010660065 0.693084889377786 0.985336096915732 0.773031823629196 1.13254099758477 0.425297708602961 1.22632105567533 0.908828111145199 0.624299493753172 0.934588448691369 1.40308940092487 0.561622889175802 0.334195498358768 0.751740066053363 0.297806436196108 0.83714709138362 0.337190725605386 0.538839535551081 0.526215862484102 1.08765860563107 1.22322448267308 2.3186211444332 1.65016724908709 3.17002787226111 0.343956385274086 1.14256279127885 1.1819838396269 1.92661069705268 2.07207665485815 4.32641545535299 0.504557822505026 1.0071719412431 1.05653756228496 0.486667274232929 1.45743125649595 0.933547707833746 0.539796520485988 0.673316367767029 0.732085851127768 0.941205711162799 1.10539035528767 0.869206005016479 1.02059418183329 1.9239055114474 0.942036408721388 1.76643032665817 3.44785743173572 1.32511884505266 0.572028772936795 0.478169914573043 0.745697876757407 0.798830880590875 1.14458600326893 0.721983786802947 0.751428459167939 0.781185609741348 1.8978070461222 0.429868451194245 0.499911220355652 0.62076655130441 0.549511009451921 1.75206580470858 0.806782029649433 1.12995915864072 0.459350154786445 0.28440450832319 1.25256552205957 2.95579655925986 0.850784875499244 0.475166790961799 0.459774489084106 0.806659227565087 1.54506843302716 2.76607746807479 1.76788549051441 0.914034538317668 1.83454289755902 0.632208329188877 0.682030469021459 2.17301724530637 1.14461323211247 1.34074373571184 2.22135998761197 0.36795490772812 1.40448531481757 0.293261833294619 0.683066635433368 1.86717116631021 1.4689535772996 0.753863589103028 0.594405817758276 6.72206895862553 0.866050944458305 0.999079202198152 0.809179692695816 0.749509424733228 3.73532709097573 0.540145539802429 1.04762626974564 1.78403333834253 1.32084783757102 1.96489292624869 0.965729314635577 2.20844681748052 1.60090025091652 1.55526416457374 2.27388611498071 1.13594215243082 0.975019251473101 1.04118692053788 0.56550180131053 0.426926102361773 0.763348920121764 N-methylpipecolate 4.38942644232582 0.10972020721007 2.79308816695993 1.03832233058455 0.694377707260384 0.468517230429166 0.54835683374613 0.187260884811978 0.198102331294646 0.232970946537624 0.165338059248304 0.813039839278322 0.525775727314861 0.116769450163236 0.186376143718963 0.381725260883693 0.167470093352974 4.26289918045068 0.970399642190357 0.229789228041944 0.562615827430759 0.37653039679268 0.23752510602602 0.861253026439034 5.78393684002343 0.391355603221041 0.204279435005159 0.603266246236052 1.07318514234381 2.82994915961721 0.58383609983675 0.126632139116635 1.49898537486867 0.615432379331117 10.2075418219245 6.29610708737391 6.56266428651982 1.07628967450602 3.74619550033937 1.79778225258614 1.52732834575034 0.257989599037932 0.318978865432613 1.52755575940522 1.85515810420333 0.170293198008253 0.10411101583495 0.961811190994452 1.05195898354719 5.13257716565856 1.27900830401831 0.305698090382336 2.79108318769526 0.448841886842721 0.257280371873972 2.06021445986469 0.954383353635508 1.66675899042017 0.585085009533155 1.31540555687297 1.09101087421544 1.30930937030689 0.528059646879157 0.334919128350737 1.13545909276668 0.412979590826624 1.39800073716679 0.708102656082467 1.63553069324706 0.571819074819818 1.32484185558682 0.410088046516912 0.925163310550031 0.0952560603759625 4.20859627346289 0.788886030212563 6.29692968973768 5.79298335189861 0.330104350989887 1.95787143389139 0.487412875977916 0.484276341748336 0.201579612925461 0.805356317008085 0.273669451350878 0.165893038105695 1.58602092491654 1.21823223274341 0.163754868889665 0.37630393656726 1.30707088372942 1.29453506872143 0.341441290621821 1.02281504900534 0.318824575672588 0.908637434671168 8.85855291418515 0.503797395574757 0.512872385973618 0.694527478593798 3.22101222580534 5.2617047198676 3.71323063502361 1.82920028222341 1.14604025300453 1.31584997936551 1.53526821618715 0.12249388214364 1.15608284995323 0.609105960275195 1.52369416279182 2.35022710171764 2.48535877436891 0.997803899580414 0.994735556284538 6.03118290563973 0.370303258761815 1.29686122935652 0.220865211126696 1.24671191712012 0.157660713542883 0.17730057297173 5.17950537861689 3.02696458131813 1.16596270063706 0.083296821475493 1.82534689339413 0.427339689488334 0.24493047561228 0.856912642418786 1.36162897818705 0.810358919974167 1.02813377602031 2.06749969733796 1.41826724847696 0.624310382911161 3.07976044794438 3.80571126221771 0.649872117127235 0.759409721867421 1.11515485881233 0.800063871483677 0.160952822589596 1.52489100694857 3.30359629657319 0.145472983197692 1.00511110738491 0.497213633469337 1.12561916176015 1.07285276854051 5.43687860623038 0.204319313229002 4.57432617978658 0.69781909019905 0.123416428787742 1.37641165337044 0.778133833018809 0.763883295839029 0.760867598431178 0.252677338761967 1.07165965519472 5.94911662998001 0.412328439953313 0.770796115471335 1.23344996193847 1.692735839536 0.922315085100938 0.820524758044991 9.64031031807796 0.771257202252838 0.379598574274736 0.281246230974134 2.03797401792775 2.03517114255858 0.586407872193526 2.839476531572 0.686063139042578 6.69178471073458 1.36228945608776 2.74829696252087 0.84780042681721 10.4222316703858 1.00219610041959 8.04163046139167 6.78712504598484 0.146516366663521 0.756617126955124 1.69433789121672 0.227441221436005 0.109204774948881 2.10713794712914 0.720051614526062 0.505546026672853 0.294334869259844 1.63892792825601 0.16439217430896 1.68372008612453 1.48075165809157 6.16891341975398 4.66307085578979 5.0489873926156 0.786623500631119 0.828145063796142 7.96306090903323 1.1057896942275 2.44561912942645 0.0794999337055619 0.689471856658595 0.611625749999228 0.78603772185656 0.738273475614995 1.98714196728522 0.964931931457624 0.121569428640603 0.153135405659263 2.01305526825432 0.16692614111465 1.42136672331765 1.86382403190689 0.9580992413541 2.08766240919647 2.81668649972683 1.23801535531321 1.27979591966594 0.176054316296454 0.648912759814971 0.42398415665526 0.424587553148252 9.12963691353906 2.92087341683814 0.952227110713038 3.24820577528293 1.01275230567745 4.13844637383103 0.937771171663048 0.208215482023989 0.513836510433223 0.337171377475308 3.43194709593986 1.13698462136922 2.31536739896752 0.393451448459375 2.24110639437578 4.2197780942657 1.24249659817402 2.62530825048325 0.213060022965629 0.100652263898582 2.32440230387526 4.89786351586692 0.573182976400776 3.8956194952532 0.889741498948233 5.49177400745246 1.344346037857 1.27323313300882 0.224158273602877 0.543082005940156 0.553673861169436 0.914682716394342 0.593923342156632 2.00090426567039 0.897740316198251 0.225778398990045 1.17247139053522 0.601909143021737 0.530451801414819 0.161667521609634 4.94488035631234 0.625337184994935 3.91479652685542 1.90718538231786 8.96490747391909 0.774044118041781 1.21281604865541 1.15866523439452 6.38750113660192 2.74224890341621 2.24653717007998 0.0954098112410702 1.55597206144903 4.21840034723072 2.00351956415506 3.89033136088812 1.04187667418847 3.24053145567974 1.1548813630095 1.07952598720212 0.285847481587567 5.88109428747967 oxycodone 0.28234204930552 0.628213411358736 0.303206583310848 0.198684228983434 0.9047283097054 0.417150406010992 0.314347647067075 0.10717270959219 0.214914766984099 2.3572055089763 0.207298708735693 0.130672746310998 0.150576815332454 0.564618087271941 0.343600571988253 0.349898053738181 12.0795783195658 0.552326775931936 0.185244320343127 0.38868796687551 13.9217056009796 24.0061951641743 0.342085611755959 0.852409372619982 24.1828547098678 0.211422767145827 0.243728716500277 13.9137957922722 0.294547545904698 8.27334305350302 50.9465695969925 62.7223983899834 8.05681430927798 16.3040647307191 0.534158805128751 0.414835058292138 0.848163193232518 0.507249282745544 0.664684676210256 0.105307889262678 3.07426853247717 5.25060462260905 63.1935609239277 2.79860683068834 2.15989596612958 151.517638642378 2.50099305808255 5.16393998579106 7.67121237250529 0.316095297269689 1.8228602218146 9.69660363408925 54.1960998850578 4.63548786092731 10.5511699272143 0.810436062654663 1.0952716902946 0.367140215510519 14.8387994847815 21.688687224248 8.08389711142632 6.0601561333198 1.83607734218545 2.06056045277178 11.5019196922551 7.16778349601003 3.1223792466951 21.4259224878354 2.49257001121368 0.198222149609749 3.14649318886752 0.307812524496395 0.57281339502093 1.342173901922 0.298739265937406 13.3695207494267 0.257074558982369 27.4055662411411 6.14845950163089 0.179606951984177 0.497118192477513 91.4127928324888 0.286665792016424 0.301559600400359 0.159131884879525 0.429354252326693 3-methylglutarylcarnitine (2) 3.258162159035 0.125173127315149 1.61596369376185 0.152308352723298 0.630554254364255 3.06972801313844 0.604589264822488 0.2812235979922 0.362448632460241 1.00328490540364 0.941179364375183 2.67507457621749 0.724580453125481 0.502845058468994 0.794039569793196 0.380789280505655 3.2522255782627 6.1528246969159 4.72512021384206 0.678580757933848 1.16568145085634 1.5758084874667 0.30276325805708 0.390662592191494 6.48379797915398 1.49149207827849 0.294429730405953 0.328535405636672 4.30001270198843 4.40360681373621 0.630238623234328 0.327906307929455 0.615572008123369 0.633295168334799 8.35947670169011 1.10567119678017 4.24054673451162 7.38634007896485 0.656219551754601 2.53098601374314 0.295225105111168 0.414967763415971 0.773955866542736 0.454324053010681 2.10374444976728 0.606978930933356 0.44293614481172 1.57686203426821 0.664572953934483 3.88738895230044 2.06933652427748 2.84177976208221 0.128743458500557 2.71658557957324 8.83877890501776 0.617658636865106 2.51705928207889 0.675481315335668 3.07650444033376 1.77927269653966 0.845800123438534 0.304864054779711 1.3770145958736 3.64984346840831 0.255327480579781 2.25626020598867 0.363259946143963 3.87269951099804 0.203987046923467 8.43846339195434 0.861792428650688 0.236591506511909 0.150190042802061 1.9839403968786 0.64701272550334 15.0622034378409 4.82923165367 0.33584018045285 0.431590150222905 0.280101966171388 0.732932084307751 0.157744528281504 1.87866541161969 0.223539647667896 0.605745135930462 1.49741252329477 0.975847429736408 0.19141473487723 0.530058601327087 0.155726181336578 1.75027831719413 1.99422733489555 0.262679481998941 0.254484682494072 0.555667030016343 1.92072719523271 0.182163043353136 0.584019127561318 0.171694873247241 1.36116515113546 5.91914352981273 10.6003475287647 1.65144248247426 1.54759944717326 0.606414966582751 0.399594717035413 0.443063459862258 3.72515533862803 0.828188929631673 3.49162450954435 0.996715094596362 7.7149797766831 0.363183006136605 0.689826002436302 2.91402111599808 2.71546591552755 1.64664425961133 0.156274600263701 0.175013722771773 0.240325556587654 0.100919315021415 1.97661437009108 1.63469219028425 0.110960281147839 0.131587680665124 0.255222401388147 0.706997595280409 0.725364217957463 0.815445421149627 0.371086574923087 0.25389985972715 0.342419043025698 0.222985128637887 0.251127461354618 9.56110369751833 11.0698147920214 1.11624897196048 0.76889238759306 3.43935626991696 0.694607892765701 0.299318864479622 1.64876355342013 1.87830707976957 0.25783167120288 1.35553888850025 3.44247519348887 0.579512135416774 1.13345952675205 3.46257818093555 0.567892029753153 1.15383564138597 0.222410538301611 0.101283943751935 1.33127130178065 0.420841768939319 2.03845701636294 0.770001819208102 1.29229833478014 0.625399470648814 4.7169730344952 0.31918394791378 0.699560192420858 3.10002938872148 1.68322519917082 1.45438161043307 0.441926676172988 11.3938729189179 0.801249301070873 0.236627910351707 1.97119551095397 0.668155091770637 0.151136345859304 1.43305407652658 0.703009505436126 0.886175523770084 10.266237022646 0.43902302719967 21.015598061466 0.55017182120441 6.77602222720069 0.405669042066408 10.5379788962021 1.74600214507166 0.110720212582682 0.699624932222446 3.46492573665876 0.947086428520618 0.100641071618848 0.685451244780108 0.245576564506669 0.490642884923625 0.156687636262278 1.03473998754202 0.201768380470894 0.713708102009069 0.728238350303918 4.9304246862112 10.7153992079508 10.9585140857771 0.277944300747666 1.53592581802626 6.7431572341858 7.31350386662893 10.4932037474703 0.362681420257438 1.2671003839818 6.39077967481139 0.214894424437091 0.953356743953986 17.2131172283336 0.640973623647069 0.796060474845783 0.503479075614022 1.97066401489291 0.116304561607743 4.38906869434087 9.50902613530048 1.17650323015206 3.59286417835599 1.42922695068746 3.34026816642616 9.19226687989478 1.0075006668298 3.92021891891812 0.479120577683679 0.854796791306527 11.7609566456833 5.28680391307826 1.85344738951508 10.7947991309912 0.341049077984207 4.30097553435671 1.22359681153526 0.264528206728158 0.270483284586624 0.0933486937859531 2.33584372244807 1.27455628392752 2.12885404746254 0.571784288948886 0.531187907470885 1.69972499358751 3.35801100438883 3.34687516818328 0.180781074883387 0.361840786724366 5.10848727976046 4.16357583308466 4.44028830660455 1.54356373717097 3.28073942692288 12.7858612995994 10.8902389794016 2.64141066650216 2.04260488954731 2.97587281403551 1.49779427166887 0.922243267577176 0.274946788900922 12.5455583724257 0.330107461183422 0.348299345429444 0.680622127847727 1.9287210848974 0.748766180399917 0.137654724928159 9.24093507493238 1.02206318663668 13.043831108616 0.353916556299079 1.46657079666261 1.39355197479516 2.12725857539181 2.72885209936517 4.18651733614804 4.12906440262332 6.38296504946052 0.219726296254645 7.92122937144442 9.97548250583962 18.1204762448711 3.4135260729712 0.481861491654223 0.678910950599694 1.92585147843373 0.652360351180955 0.334458015205589 3.87142517982759 cyclo(pro-val) 2.54442948698187 0.906276996221813 0.49991402313497 0.791738000061657 0.602771811919613 0.49974206940491 0.147356125765999 0.174243934520568 1.86101000551485 1.02425164161006 0.413778905867322 0.977425421063989 1.98006021805925 0.55007244664125 0.188066685163681 1.70902483052967 0.461832780135576 0.735900307941042 0.417092611812742 0.950143009327291 0.26038453238519 0.990605571711899 1.11884606030712 1.260661987607 0.405979331298662 0.322940066246716 0.319483864779971 1.28788753815009 0.435693757942584 1.95386981526963 0.60874908799441 1.57950804791412 1.51991683194092 0.650065253357722 1.07649269196647 1.14195294222423 1.72807675576062 1.75850914060814 1.29958313209266 1.11257009169724 2.17453098078708 1.56606756890994 1.85825052493843 1.11272834393486 0.932785958710553 1.69251521722004 0.435366292273386 1.58448168966805 0.561202854020874 0.644803880262658 0.104950006679478 1.64767023248007 0.905880338015818 1.10221450371482 1.14087463476959 1.68290841579919 1.00051997163791 0.282786472516519 0.702976991768828 2.17399799273136 0.23958429671952 1.29922415299087 0.868926042769209 0.331970719910666 1.63899855791792 0.634645593771302 1.5785530538914 0.705547391749646 1.17774466583773 0.488660987398052 1.04433323399751 1.59650474927982 1.98227163893827 1.3946872463083 0.298867914187553 0.305646727569801 4.44547251309349 1.202532035802 0.318658349860759 1.14469872130822 1.32032856178859 4.48970915156933 1.04017209074498 0.902325485803541 0.669439163660902 6.03088864454561 1.71485139018768 9.38729597621421 1.74806106755178 0.336203110923857 0.258177907028523 1.6939312664632 0.3452618526473 0.916055751372718 2.61705013718619 0.502942738037741 0.975409931526791 1.70104165596238 2.62290684012756 1.6755582501824 0.216733632710943 0.371174800215114 0.510529939473657 0.464721739815509 1.42573893861389 1.49914605448399 1.35374855706158 2.26892741291845 0.636060272865222 0.611958662597323 0.526042084134014 0.855364990631605 0.878413641205868 1.07363524571914 1.25317343691662 0.429491092317231 0.808011262626782 0.634818917650605 1.19589914331419 1.52124724685636 1.22339529833287 1.11708747375308 0.900014044029746 4.22533542966168 1.68639065010156 1.96550306742162 0.317218323005833 1.40660754472681 1.49792182613491 1.1117123782708 2.53433080198261 2.05793059509007 1.14947985709343 0.428841641575809 1.61047753126509 0.972215428565556 0.919483179705349 0.156742333158639 1.24918013694642 0.217455016287649 1.80819349247617 1.6907977351433 0.767317830094643 0.474579278547916 0.690357232161513 1.25865951448762 1.15290454512758 0.512757117068977 1.16876265247192 3.04481552653123 0.85337416378079 1.17310945094694 1.50121634999092 0.540886281038162 0.451610096629775 1.2537365682557 10.0683108457589 0.805335361154214 2.27814988747649 0.963955483851078 0.364400097280596 1.05199305334334 1.68673661278555 2.2897050411216 1.63692894748561 2.18732474934832 0.767056131589133 0.824611305786483 2.1752968942142 0.850777730964345 5.38159410013736 0.774400816608949 0.812177201401663 8.45073388618855 0.320561487159989 3.07408876511874 0.854533310040796 0.48334549340787 1.54265240341304 2.4137562984048 1.16442201966849 1.11929683940823 0.497968411209191 0.779150438961564 0.497960875388352 0.51219946632687 0.872580915876262 9.19438444332549 0.446703592188779 1.08812525904384 0.954492548100802 0.777130153902014 0.81978838044934 1.09560216346566 0.882435714310181 0.957989854044852 1.60193191043334 0.617706438673833 2.27724558897578 0.285880269508356 0.560144413730266 1.5342643497443 0.704549923100374 1.52980725425517 3.66482313085953 0.64462096533865 1.50132048133343 0.707432717108711 1.49597484405989 3.6454225026461 0.584021319522229 0.462685698039659 0.56424115996835 1.62514771921532 2.53608938853665 1.45851770404091 0.852026621999801 0.803504156690268 1.41925607746824 0.425216911752113 1.1442760302666 1.02818739531203 0.999480028362089 2.189424503064 0.793503437361915 0.696688006741134 2.18932585231846 0.454655253323468 2.36892707038114 2.38055141656305 1.52202549162668 1.01495106854514 0.711278726035233 3.32335111101977 1.53282569303861 0.835508102720089 0.644709339964856 1.15982927940426 0.421646302823535 0.929993594552286 0.767067092783081 0.651483357824751 0.433526181839357 0.599447829854867 0.593679501539705 1.7161872857001 0.56984095992656 1.3433374780348 3.82903483261914 0.278597241204498 0.41896355060475 0.831860080359253 2.50757932307777 0.645295078766455 1.18628206577402 2.06336529206444 1.86956932783904 0.411438005884791 0.664840942799694 0.753549200346648 1.61567998794269 0.833307643035018 0.446208968311873 1.93472197959163 2.62007885208896 2.50703057830574 0.532083072148634 0.480722342681177 1.50919198873737 0.386784910546381 1.25537937719866 0.441701862375359 2.15479946153135 2.52311681549913 13.0296130355999 1.28984000082209 0.84510188772312 0.458449196578737 0.198808655232771 0.866663241293558 13.9963074477888 0.995746371673535 phenylacetylcarnitine 2.73483565835261 1.22749470520954 2.16967896724382 0.590396815855337 0.163270096800697 0.376028724208538 0.063466207190841 1.05086562755563 0.120332518067864 0.0552530451281988 4.7857022362857 3.56468767982924 0.511603396078838 0.460082008071556 6.20333515964203 0.732819907746859 4.9932280853648 0.749814557596914 2.00273186002651 0.464594400280932 1.0715258832927 0.813624326241775 0.497118217928206 7.36811540623647 0.436281705186257 0.185742722365756 3.77359870406529 1.94984097809047 0.722730700565997 0.154951918028043 3.21521582834662 1.20582562379213 0.694089650056761 3.19667633992531 1.57918901439679 0.58367384565965 0.223960251412855 0.594894002025254 0.501922851208429 2.63594413111027 0.245635510283797 0.807478710356786 3.46899227200563 0.466654343438855 0.812335139208915 0.53412116457354 1.0661671799497 0.718092858531087 0.404920199180109 3.22749423002081 7.77011034357571 0.832666564342693 1.10839862822517 0.122753604662932 0.092576268979632 0.8038796308924 0.103286547834636 2.54997203514306 0.437509117683816 1.33836621560168 0.530919342890012 1.95066020346631 2.48357914054515 2.37052746424561 0.368697512434501 1.63641646871096 0.269087499827744 0.78278695340822 0.0720485908990903 0.954301574727942 0.802242130518189 3.71868304293758 0.378037822172021 0.284061171995988 1.22111292052421 5.64082954647512 2.07918640085876 3.62531463433989 0.654466037548463 4.01649522649158 0.64869249444148 2.75938866019111 0.378686454792682 0.46277347705575 0.115274134004173 6.46055719680464 0.0752019433318428 1.35808464726978 0.200278745710828 0.986774547180777 1.04613845003889 1.64350628460859 0.148553026548319 9.25483563934506 24.5581001384225 0.127233208849725 1.18705376808034 0.475242429411902 0.156935830988673 3.20606179259247 16.4643377983651 0.749462442745698 3.44667693391123 1.11505839831935 0.496574602017556 2.58150508428185 0.142922040061261 2.3284347710802 2.90742943328517 1.21287789977985 1.29319715057828 0.763511872828091 0.496941922908231 1.64496083732056 0.960331244562059 0.957520503205861 0.401260295557888 0.476977343476395 2.19686118834248 1.53251645222191 0.0359508787902835 1.0984343956811 0.514540062449303 0.78380195654209 1.28076051105598 0.554867904660033 0.882501032347523 1.52657611786962 0.447127412830191 0.801342598246458 3.93120074965775 9.98185396784968 3.5138434357666 1.25761406786741 1.75370492775468 8.74340331121013 3.88047625315585 1.23833280983375 1.35279579667054 0.488557692901678 2.81638612315847 0.81526087623852 0.547269636818003 1.89088621273154 24.7722572462718 1.72251496488118 4.77681335584461 0.942301633651345 1.40606635440431 2.43547863622734 1.34107621694647 0.534393447717597 0.925758413097722 1.51886570548658 3.9570600453235 1.26421396418122 3.50585076127611 2.07250239613919 4.55446019272705 1.07035074155578 0.271256261205544 4.93859801266568 1.09961096298422 2.22108108287909 2.41292570376639 0.968497362940126 0.178422915121313 0.592557023835942 0.831423470616942 3.06047869562594 1.34010730711971 1.07139758233476 0.789114566577981 0.147909145814989 0.14574371075832 0.361850993168212 3.05267942294981 1.99368426654857 1.18401113462239 0.138001935918899 1.52305591973492 3.22274852014349 1.94036523956402 1.01322545281922 4.65120576765077 2.35509333419501 0.856171775024746 1.074769046396 0.0863071040240408 1.37772087128705 4.1721908148869 0.383287707295145 3.78940680764883 0.474112430604625 2.45852528978197 2.36459663366798 0.688406392809064 1.12480404404619 0.244556356670961 0.290789369267739 1.8590766037501 0.513016607371033 3.01240100036732 1.31767792372936 1.23942859505224 4.11125023581241 1.46981339813641 14.4126529454336 0.487859165464043 0.195938371822829 1.03759930850536 3.12434643729623 2.31977635717466 3.7156499132543 0.810239081707277 0.836143995491409 1.0243173082269 1.1062317676023 0.122042722318237 1.10325043349092 0.0970886611890077 0.512496750897038 2.19282018335633 4.7073455149549 0.25346994692617 0.487754148754031 3.05517321342104 0.553116358989882 0.679887209202315 0.89067332817912 0.788316724695131 0.0947930244194738 1.06712801156799 0.575203131303676 0.565518784923402 5.10709946222891 0.198780000446677 0.286125391852509 0.866666318194929 1.27346826475806 0.287936811303029 1.67130767662646 4.54187767026369 0.377183432829934 0.320487239519356 0.614201395439234 0.523777731420477 0.922901103245682 1.36539162441843 0.148144364237866 1.5193903138479 0.540521956808195 0.742422521665042 0.514474961592871 0.0452664787136831 1.89165554329041 0.395087593915113 0.381257225838673 0.327591311078978 0.780429542103385 2.43620567498896 0.283224364637025 N-carbamoylalanine 1.31429070654467 0.358752860655703 0.730572045906865 0.461817437960528 0.711206951659713 0.963029887193212 1.14328209368035 1.49528444613018 0.70450758366752 0.243316613324583 0.578830508546808 1.02942266960439 2.97307041581255 1.40946690588922 0.753026861397236 0.830265630793227 0.304987449339226 1.62590081355557 1.71504672937025 0.821068915699619 0.511726024828574 2.16441152529949 0.989823097477509 0.545393332168473 2.7238684162302 3.64127697113561 2.2903613482265 1.43666923788297 0.71420717752899 0.560275134349603 0.540100320052504 1.21292654134473 0.789298057950385 1.93138261829371 0.318944465989627 0.423065941043857 0.79430979889111 0.559145787964151 1.03770738422069 0.549463240840575 0.774603769886085 0.283350877267749 3.38504319217214 0.880442703783097 2.28610818712204 0.573477832848212 1.87142497943737 0.472049742381174 1.2357990019135 1.79613379984573 0.891544391836317 0.497658204381864 0.486492591061543 0.774441825876096 1.20167995601942 7.31885497061569 0.533371120268998 0.673137324258787 3.76068937008042 0.229815596912836 1.00153420641043 0.972171200388666 0.269014570699215 0.635847585116493 0.560479695204327 0.573605683382414 0.423193791578059 2.83279707137043 0.278922987099881 1.24126674309288 1.76410724102809 2.12747550596849 3.74039949030254 0.504400189218791 0.533345550162157 0.372816419417939 0.593806067786353 1.40625359579628 1.18595007862808 2.85573771889077 1.59161130028255 0.392275270723506 0.470758451985732 0.639043848471547 5.73722027368538 0.571040149329424 0.688483650047518 0.570405158342887 2.43361787180001 0.396477291614284 0.326248993177043 5.42867431781086 3.89878925544111 7.58184351946951 0.33200226721614 0.381642367962361 0.731189990155509 0.344207731547972 1.13713248298523 1.836151017051 0.505116152210323 0.680940468529591 1.25381740386705 1.56588777280108 0.501647141048971 0.251724916790611 0.580181462524878 1.12146653086099 0.365797425090241 2.53142353046465 1.11678293962472 26.0756917779322 0.505682956245286 1.07853005979143 0.837587204718537 1.07310493545679 1.89995269530235 1.14927828373443 2.87285690542044 5.16543006788863 0.505154507370583 2.46309594330255 0.806110403197968 2.40904926081083 4.84333621707316 0.79174426483812 0.620215726468044 0.959633324667908 0.95377777020145 4.06438979070868 5.46027044649668 4.87185967125366 4.29065540445516 1.10104027717996 0.998465793589574 0.764682568431998 1.84184888919194 0.728547745781998 3.97460462222298 1.09450285319776 0.559218236600199 0.507242732762552 0.753823796393763 1.69915490796892 4.10681485964142 1.51684430788113 1.6202540816283 0.344075619329296 2.36629178048916 3.67540454039864 2.23091937319145 0.711143026392612 0.532220465461178 4.67540454039864 0.913671057622236 0.727972418378088 0.8956654407221 1.0410059280031 0.369743744912614 0.755063946575524 1.23654479669634 1.42139109904581 2.46731501093122 0.803429803664196 0.87482580364715 3.64520624422009 1.48556780553081 2.32255837442308 0.651577462507831 8.63780369828979 1.7050402942267 5.70273472292658 0.828309517619934 0.655932904039651 0.653081837126943 0.505047965258748 2.38352603249961 0.281381979041036 1.32731867597987 2.38305298552306 2.07626284365158 2.48368840267804 0.808914591581469 1.37344714872 1.66852191997409 1.04700211805718 1.64470336545223 2.32071732673056 1.88607238897247 11.0284510055445 0.401373967074226 2.24634667098517 4.98354137456371 2.57986609787385 1.09821478037409 0.832818379792797 0.845744068800634 1.6737765769298 0.292730844793713 2.46286155065651 tramadol 0.227886160817135 0.353171841416813 0.080767841993821 0.677738731709139 1.62362166357132 0.146744889972502 5.99585403629909 7.33798653788993 0.900845906692778 1.09915409330722 3.98872576138077 11.1636304993798 0.100079233169878 8.62129857473651 0.239408548930774 2.80001951466898 0.328874271625521 5.24174458731444 0.525613454761956 24.9598109245406 6.95969859473303 1.62696475524299 0.592129565355921 1.81461937812653 0.895664280235465 0.171767935652186 O-desmethyltramadol 0.124901420132282 0.249000318411293 0.169928807534032 1.08192252350131 3.84413001391426 0.0649279588850858 5.87596809796499 2.0052801638721 1.65371916482196 0.19043521136285 5.17136376318261 0.19229928332828 10.6287780216493 0.0804615933731041 10.152050304506 0.0956957152408842 2.2930361972287 0.213297410926568 4.38967612958757 0.0484377470094641 22.7793669481912 4.89529696219504 1.23460785925057 0.396633707440479 0.918077476498694 1.34965438267843 0.120932519645439 0.228541564317514 O-desmethyltramadol glucuronide 0.30911601693392 0.350519746205222 0.690977803387411 0.723399425858545 0.299660268834132 9.53974776817345 2.42112959018354 2.08127455555055 0.113304683547191 1.29650907338706 1.5656557959395 3.17481546958746 0.18218814714269 7.31792583157718 0.269732559121124 3.17166816530579 0.198764944101788 5.20327956067013 0.0520659548211918 10.2140487932685 6.53381547034408 0.954119917286794 1.03382125304821 2.95920296826744 1 0.246641086577674 0.394669773546063 alpha-hydroxymetoprolol 0.754934673482407 0.320427280978903 0.279045151625316 0.185964762805061 0.167110749166088 2.86290487190953 1.41718882840888 0.197709971745115 0.189904922350683 1.02564056994842 0.0650748345438774 0.100680537373365 1.76830105578817 0.190601167046195 0.262032109320871 0.197151198787531 0.105159084333684 0.381218015279226 0.174604265648714 0.561368194005553 9.32429400029951 2.53547019123991 5.40017944504803 0.264324176130045 0.40576534515207 0.111334858415871 4.47256301942298 0.828862060701352 0.717829326485185 0.0631920467111194 0.176319264782328 0.184356395741931 4.85450968718384 4.20288789963831 0.263589251173672 1.62417474487362 0.0591645952254445 0.0823988870538996 1.46855935107067 1.83570193304604 0.354062381329352 1.89843190745173 8.40763140638554 0.0881455193230118 2.59567340374012 1.13271484990099 0.591152517575344 0.81812828831221 0.122827077541639 1.62732823154631 0.130213439247554 12.334608823647 3.32452869539582 13.0460198403603 3.4200145782767 4.1994694009081 0.683175994402862 5.77984084118068 62.2000375825778 2.93598233880197 16.1359694802288 0.619752911539028 3.42559917161517 27.7615529183865 8.67163045924185 1.86917081281603 9.52696863579686 2.07724761717832 2.92343477580215 0.974359430051583 9.89782818175855 8.65677410283356 14.0096998594704 0.330524919888737 0.247341450786817 1.44008754283904 0.137526622081568 2.89037412959612 N-acetylglucosamine/N-acetylgalactosamine 0.864289234350771 0.441763003414665 1.78220547035045 0.478067736696553 0.803554322184256 3.65398365318884 0.971314897116926 0.788088414357059 0.462440663920559 0.895783010448344 2.13617647872369 0.850221030247641 0.512570019255119 0.359363401274756 1.3247832176201 0.538011783387535 2.40161712514472 2.5582883661487 1.435720305711 1.05272295378376 1.73334680608329 1.14233066531488 0.708272531904168 0.49649670867869 1.75955149290677 1.39615925016244 2.39426789057944 0.950705541195285 0.997799294035429 1.62695084384387 1.84874542542748 0.633435263342397 0.565419703445204 0.796193797605049 1.63373473096179 0.515866138820882 2.52916069471972 1.11258684137587 1.17126471300502 1.86771434232564 1.65947059995699 0.491181087871872 0.719637906673358 0.734414276900011 0.626781211384624 0.757235911050496 0.439513185889515 1.75898134720349 1.69139847709002 1.61481210312073 0.968212965790693 1.72694734393955 1.08120398966512 0.461321259039773 0.448170086317801 2.38923677812357 0.524584005324371 0.56700595040184 0.694933098199977 1.76174627161403 2.07034186726669 1.51651305661886 0.331216549805614 1.11533087926064 1.32745161241156 0.507610598387673 1.72011857901627 0.524045189409741 1.12894607155498 0.516159679182964 2.26015550865182 0.856126836532453 0.581570915117724 0.41226530177925 0.847522999169619 1.56779879162981 1.45285177284266 1.4393777057224 1.9794993104624 1.19674825018897 0.662590595305499 0.583181153353953 0.716670326512848 1.71499714644898 0.601195499574649 0.923630112047743 1.17375303207437 0.995158842028432 1.0105841058055 0.483670688357794 0.534389382419303 2.00699444587765 1.53426095851089 0.561880001828982 1.01688054657215 1.12480178969301 1.67832605221519 0.438293864385482 0.680439825072524 0.492083159984578 1.43320912436346 1.76267035925389 3.47441908644594 1.85808762970109 1.55958474199778 0.978973478063785 1.40122197465731 0.656863735741418 0.87791204740451 2.14832114670413 1.00959905209043 1.30205359708311 1.97320032944261 1.21856479084967 0.666995394238819 1.63367489388798 1.73723028862356 0.638006025480432 0.967615159553299 0.638942532135613 0.866528608613039 0.465471750409404 1.71607618952998 0.514912132644116 1.02324218716924 0.786320680426559 0.535492981280592 0.740469958119693 0.457096818078925 1.77519804095678 1.84827011584119 0.443028049475099 0.645397315347589 0.895181817206771 0.60970167831702 0.54651739762921 1.94418894515706 2.84202673813998 0.688214693162824 1.03076077194341 1.18498744268201 0.448419595625571 1.17227658050316 1.31211441074313 1.34257571506714 0.887031556153425 1.34358588906319 0.986101146105764 2.31834621618006 1.47658620461908 1.38944649013225 0.489743869099063 0.963821150373389 0.526169123279614 0.657063286737564 0.914849021466268 1.97013396166024 0.70427925397846 0.730946549122568 0.550832723202164 0.57839418744923 1.28379962031683 0.800102964927007 1.67995237872126 1.40622712008115 1.53883538990345 3.46705348136047 0.47325339250806 1.9868832618205 0.770482202139796 0.393842257054424 0.684426328989877 1.77283673454411 0.372329417768337 0.804506634858934 1.09004181256658 2.14758870705067 1.01415541946071 0.961226140672444 5.79919186080316 0.491652163702944 2.23273150032431 0.732881093008828 2.4082096465266 0.754267484138942 0.405281016914134 1.31517795602201 1.48838201116921 0.674301444500832 0.554814428863598 0.672268395243066 0.948716522991831 0.526762131261089 0.686474619766444 1.33552453686952 0.60517607623469 0.832435589059299 0.649999125023921 4.17636328329411 2.04424471782586 1.74153460643294 0.64463636840896 2.83115981748564 0.778866448731765 1.38254688037158 2.16346105537921 1.76203077996497 1.94474413159189 3.06274538139643 0.595823710948547 0.538538744787542 1.14668240118274 2.8729709728097 0.419969889532859 0.775796129444526 0.807407886187628 1.33552030311429 4.3281276019954 1.50028112134676 1.06560514192394 0.966500552928432 1.07178219079333 0.968598519766274 0.7942346979385 0.730748409378163 0.739384423280686 0.883984663645083 0.928974804640422 2.13949658956904 2.19603726156196 1.04802800149254 2.41462830169401 0.537304746265405 1.37010443827383 1.07512685741898 0.605666345089437 0.488704905567501 0.402627016890425 2.149619780556 0.951128634467171 1.42286662485598 0.540080960689865 1.30871611655133 0.977704762748825 3.73380913215356 1.32947139590297 0.898594788416671 0.509462442921923 2.52683015359499 2.13481885454906 1.5663152837999 2.05598689680984 1.33288606061496 1.52787193963004 0.600621966867196 1.71864890145342 1.29701542836853 1.02536866129224 0.592456464295049 0.54490885289507 0.850916495105497 1.62407753529964 0.406737710960966 0.672357304102735 1.00220070596457 1.65201015875453 1.64756245776829 0.728280976834585 2.94983084736635 1.95018761180642 1.2710630733563 0.905309524199298 0.561220100514994 2.6647862207638 1.18520082394522 1.29109917882084 1.63884826051933 0.887858549673521 3.08743805310484 0.702830745191724 0.864206817249109 2.99759042877779 0.750650163676977 2.03688475774735 1.5569948128031 0.830002308807848 0.70202943645331 0.223297282437198 0.358168353300664 1.25121409987259 adipoylcarnitine (C6-DC) 2.1215062366987 0.496934114971808 1.60722901172991 0.548008675996611 1.03319042712462 2.67986408240164 1.07601659443184 1.24538493392338 0.190150252280022 0.157033236122431 1.07979658410882 1.23868414004027 0.506754341960224 0.281118379483817 2.15075251215811 0.469601072866106 10.7659929842425 1.9811654321472 1.9395266321557 0.573649499373448 0.863369611711416 1.70449420803105 0.358501427036712 0.661462020981892 4.00840559125783 1.06672410204281 1.06223963713236 0.668527169199914 1.48523313169835 6.51168829802891 1.19785122617279 0.124232533821811 0.35926446048589 0.605325087995445 5.91445923868492 0.391946980368145 3.62344118065302 0.65564670691407 1.07441839575078 7.40439074333899 1.28475062337139 0.427404690640997 0.430796305744099 0.475875543040395 0.245137411756713 0.37530749281507 0.108353734546654 5.5224681264576 2.07797623375018 3.4044577583844 0.63516881359989 0.344952306678472 0.613531695025117 0.138805641231294 0.437282338792395 2.32221409466405 0.313722584859134 0.24716456358104 0.297250315123505 2.51308800994239 1.2579399148646 1.36523242388303 0.100797450614069 0.342671947423819 1.15974134040182 0.474626277416562 2.20374556540551 0.483491024780856 4.92543314780186 0.474418907424507 4.6639883389557 1.36111657725524 0.245578730348442 0.15709726640442 2.11628417989397 2.95687343757406 4.7608947951198 3.42001704584177 0.975964766146984 0.320604241192478 0.436169519496439 0.22994240756845 0.32589679526662 0.981163229107527 0.312777907235969 0.120028423475676 1.37784631836894 1.16710425430412 0.176408117220472 0.333605657462722 0.310468695268233 13.7531603492372 0.819370858774 0.275975987436136 1.61885239115438 0.48375133879076 2.4774898025913 0.197656434826589 0.467039435191796 0.264943733300871 3.76703175297927 2.7800687732132 12.0019147257354 0.632088182419075 2.65180908287672 0.456097789946137 2.70167225634683 0.854329758226346 0.69482819381945 2.03102363101161 1.41434187352321 1.32242466261691 1.72787862132641 0.985817683401453 0.156208304365138 2.79574048675948 0.940876598012133 0.740393947553585 0.653776752629985 1.43623760052879 0.221411243049499 0.16324204150143 3.62579537726948 0.511155162429049 1.01140144094429 0.273365456494337 0.434174702609188 0.739092661767249 0.186009959018488 0.628793003600833 1.09214767728198 0.360540162585749 0.536382667137691 0.716214236937769 0.988448112766068 0.322556773931247 6.03912996420345 2.58006865950793 0.172779924083253 1.01927275954952 1.23682015528303 0.602536466169448 0.516094732695603 2.77783069810703 4.60722773254558 0.44232957373954 3.55535687927918 2.06175489733942 0.614415540327103 2.0781759286363 2.53814055066185 0.137548771567314 1.48445659574798 1.32340416248 0.111385685657366 0.453712821840111 2.86324240393699 0.228310879029173 1.01866422314035 0.148284610268425 0.634390501004622 3.44804198453509 0.63923995984214 1.32672606203746 0.933769165645629 3.0025214854997 0.50081608406572 0.463937697469638 3.19929343543214 2.31801943606875 0.471584661357625 10.7154721678983 1.19453948902414 0.577136342642882 0.532818575348256 0.691755237744579 2.01455136127598 3.14934697284938 2.101289154855 4.14662174171321 0.997094972400532 5.60118571858926 1.24114010287627 1.58430453626477 7.3126479989613 0.601041099694865 0.695800089642395 2.24214319658355 0.546178376426566 0.383401247361061 0.709673270029344 0.367076581283245 0.658931652257721 0.872087608207446 11.7102889840839 0.293856141651755 1.3830495427378 0.855241105991294 2.83689433376065 3.95933579633168 1.14484118820021 0.58933890830288 1.72728358741843 1.03869788416517 1.02935138177135 3.35743437411323 0.734526186928485 3.12082322333556 3.27054378907331 0.982851752415011 0.915295540969538 1.81944896008355 10.6907289055221 0.2728033260498 0.180311619250502 0.679141201127075 1.44856829781856 7.75327789206342 4.80080321405011 1.00290502759947 0.796783377312401 0.65220634067507 2.26605442062295 1.05310277883607 0.287298047886549 0.858687370691343 0.426771778663874 0.858030722738432 2.9318832215575 23.8549555636239 0.449424924920763 2.48598564740976 0.883540358656279 1.44511968794725 1.83956413357612 0.166874356454803 0.483100376101511 0.0524721409644069 5.47789210606115 1.29876152927054 5.2593812002686 0.582298064587011 0.543492089346477 2.83880422702196 0.469592971365388 7.14756201325704 1.4523640641022 0.150465051014226 1.57224666056496 1.96620196032155 1.34857659119692 2.20572062600154 1.17803154425903 3.5862661654254 0.340646714375978 2.76981802963401 0.416086752006738 1.39032426398754 0.243183386636234 0.461230090650818 1.15712128664339 3.37655775336004 0.782588979528574 0.777583175940362 0.877327218263739 1.01009347497315 2.71407480115613 0.587349847745086 1.58671565658364 7.02065363902712 1.57138996239696 0.318846997260485 4.61778398798078 1.73087077559149 1.65312010467707 0.91733520037392 2.44662479043585 1.91273091853181 6.56030291653315 0.373140909899444 0.547563306654523 5.26589423831929 0.599665976546724 3.3790076756034 1.0378843229352 1.09960638787697 0.457760018909187 0.956040333250257 0.323196366093173 1.49692352616824 4-hydroxyphenylacetoylcarnitine 2.82894682036259 3.69076795136527 0.516609989021948 0.949057146673574 0.724954553354147 0.264602652446746 0.661178438588739 1.31150090989044 0.317072762030973 2.20728362393493 1.79868033568997 0.178218836192431 0.114429316042941 0.47384585627609 0.99008384588979 1.96191913393559 0.476884569589024 0.594124228651806 0.55068264524614 0.118701324691329 0.651094717177516 6.068530238477 0.475893049930747 4.23553068324849 1.07214538330541 1.07555753231775 3.86644263716461 0.245432474447184 0.79702189817366 0.691648397841159 3.16024748254068 0.240043510046617 0.948390707579261 5.89255249524468 0.934498420797879 0.271990934130252 6.73617150848393 0.15392301383675 1.48243439859856 0.177825771180627 0.196416166318685 0.927330849187993 0.539245937570169 1.35428850205845 2.50090797538963 0.455912803721718 0.136297806352524 1.50871373903452 0.154657437378903 0.135897081121245 2.61601761467468 1.49199961890408 2.7428871271448 1.05972194360834 2.91068327721425 2.49533995335884 0.084756019615907 0.318376435632852 0.367275925414358 0.193794456203413 0.269867138280846 0.131835728508416 0.806276879590446 0.562753714847372 51.2252631165699 2.1730481880469 0.154752711358621 0.364107467134068 3.35560222969838 0.911771028379677 2.3937778909788 10.0369500261644 12.5000193899306 1.54444387524758 1.01828207130419 0.241389793619324 0.898878400239765 6.2698436788587 0.155801203899243 3.67967212345593 1.45322215163117 11.8066651569651 0.430118450931267 1.06627765518767 0.0688208480533228 0.13950600202134 0.689475768092601 0.10221365979912 0.787128724721874 0.131626987527726 1.74716871106753 0.0634601307120701 0.180332099240058 0.514692540334646 0.977648437099784 1.78953546992813 1.81788881478691 1.37849766818132 0.448038098101558 2.22534163381949 0.370977726475586 0.400509308842335 1.79118241711523 1.07706851060917 2.04299202427524 2.1901850565396 0.857092381768103 0.567019499567437 2.06019831350693 2.47892410302421 1.96461265860844 0.913956584748599 2.26755662458174 0.618929934366282 0.87848162959679 0.141540747819351 2.04496357326258 1.56894173589191 1.85773631896771 0.668739553974146 0.503582828277509 0.518226774094861 0.312270283183951 1.18918348284326 0.0721171362460999 0.4291829466279 3.5638998751863 1.53772394771326 1.00991615411021 2.4449960334426 12.0489387484063 0.10238505720987 0.453567819034975 0.58466050625433 1.35017304914557 1.56861474027308 2.7355658723817 0.471796747566564 1.14677267772068 3.29905065942521 9.03995809859947 1.47250244528569 5.99600950441731 0.643861554938376 1.92704215466653 0.714984298943895 0.301123227556873 15.095596666464 0.540350445465701 1.19108369603675 1.18917917396981 1.40300941297344 1.54486901742844 3.35955155160139 0.421623746297361 2.4712878217352 0.865782900762335 1.71570435957453 6.5963035610924 0.621458764320421 3.78217782912253 0.725609502119248 0.491957008933252 0.113619726597192 0.765045269503278 0.202082334911498 0.314302156399659 3.2170982801371 6.44239012253 0.160716192219802 3.49320945481739 0.32447780044458 0.521830428594067 0.712900719246732 0.0713243035304515 2.45383544795288 1.95316110925723 0.480921505252277 1.54885664042882 2.9673847005309 0.135463799957199 0.525346948096747 1.18710421201956 0.284149617491728 0.110008411878511 0.458456954114807 0.0881298675308671 0.328743106400927 1.40395497131487 1.81474429469247 0.188906757414733 8.46382054403836 1.50215036723571 5.18465437807875 1.61716281748618 18.7815458610159 0.924261016233441 13.7302683518511 3.2782627388253 2.3480305815112 1.71912464757006 1.24484646765736 0.187424983710065 0.168290712989291 2.03849834802579 0.182316096084048 4.57304474094813 1.49575360521048 4.37046161918847 0.606743961472926 2.93671892691816 5.55891785994534 0.604377911182628 5.27371400474838 8.98896545384646 1.11858929398151 1.96255014451483 0.267345968546181 0.765500095034598 0.788726838009818 0.903595180381412 1.48020718978625 0.635240456683135 5.06855034655312 6.93796706392884 0.433506661757743 0.459796056231756 0.419540166600198 0.554170438925788 9.32481532886519 16.0706238722122 1.43003897615422 4.12570803169224 6.34685521658552 1.23737679614193 2.36915938187774 0.458077294487084 2.57289345161351 0.37561359554903 1.25370407518888 0.344600239477611 2.05813101177615 2.27361873076866 3.21931160480162 3.94228264007549 4.84539522662999 0.186938559773411 0.465779645169059 0.202344218664795 1.01671842900389 0.324196766142596 0.0480999543738178 0.282897650371305 1.64332916968487 0.585675006571032 1.13205500229088 1.1139404982877 2.23441995142463 10.6948010569188 1.863836726252 2.12742439961833 0.707273809278728 0.711892921622071 0.546941106796386 8.14351038175183 1.23311915040506 1.78914336244376 0.79467308337718 0.738236416396125 2.13801178046003 0.220375896544906 0.69995207575191 0.513431476703597 0.1178170481057 suberoylcarnitine (C8-DC) 2.26336463374623 0.684848374176004 3.58758711898539 0.54240841735894 2.22770521297176 2.85943632651418 0.880703692716671 1.21327058980601 0.213159693781853 0.121062662058455 1.10119304530762 1.01512116267407 0.530605307263617 0.176793416670224 1.19606030083177 0.429241382913329 1.98658508814904 3.44999466078575 1.61815197399156 0.467382117344924 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2.12735557070286 2.14301379515602 17.3526389823022 0.194851533551641 0.674239146466451 9.27451081722654 0.402211540311346 0.689292316907978 1.58561042744954 12.9039891693823 7.13022806839525 2.87183228385634 4.35715991268211 2.30990232753415 3.78816923255085 4.27944819375912 0.0895555380359811 1.45442762607209 0.395759642671095 0.34813766713957 23.1833573934092 5.4733668728402 0.66252735285475 6.01571631567373 0.115259017058826 2.6131988534151 1.42892180808547 0.161449081724917 0.267049867540701 0.13485537360765 2.61147874974114 1.21193601063447 1.99719125176396 0.175004705766082 1.02758540823983 2.78625486278212 3.37442696217243 7.38076720396016 0.466204678003005 0.204751937285624 13.5505489808952 1.540426774319 1.18181382669126 1.5747247362602 1.11329032822671 9.62822297824635 2.51429364659338 5.99654772174909 0.953238453521177 2.22689299106791 4.92401404298675 0.484942491577716 0.274299953640188 15.1637542469775 0.253989904952956 0.830524145012284 0.837659557533507 2.18450375197614 6.06175247632689 0.0906977472300107 31.0205639148654 0.859463380463923 3.26628072469175 0.26883485231816 0.76240502179741 2.93694122564177 4.11163171071478 1.47499418144755 1.41010628807285 4.44622657914759 6.98931159263117 0.572283018917745 3.25036750241324 15.8366112750533 2.71840808931563 3.08448010055062 2.73462308416852 0.351869839453218 3.53132380461282 0.286866518068822 0.452781833894567 5.16633892907703 lamotrigine 0.011368302068547 1.88611043091069 1.00576778590226 2.25235339502757 0.0190357482927414 2.07933921926978 2.16581192067417 0.000392656847489544 0.00062379604944115 0.994232214097743 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 2.68367839607865 0.3260536114669 1.22044510958511 0.455597445239886 2.02841638069883 2.33590943177511 0.453432614228087 0.252338520313133 0.455811549405888 0.586517276746395 0.763640354742488 1.69312276873452 0.89913639246375 0.372238475275565 0.388220053666615 0.334650218132136 1.32421047737119 1.42246698821941 1.93200732928302 0.608029338758747 1.48336610676986 2.72893493450089 0.284257883061279 0.823573841877585 4.8627154355587 0.963344934246772 0.571997662155521 1.07391189397302 4.5509051578018 7.68815782288503 0.939477726408397 0.289177412875554 0.336933995902825 1.33868413525977 6.0861136687668 0.620589035163365 2.24509412202964 2.3660029617743 0.769991030333046 2.28638432670998 0.792845568719598 0.703859876392691 1.14316485966715 0.679027037138963 0.409820244413963 0.589315228915741 2.26950848495891 0.985347381306003 5.33213395351453 0.476764561651457 0.20811681869324 1.6392139349372 0.3018890367313 0.672311951932533 2.6420216191141 0.718834192002777 1.23085673565759 0.405269449552246 2.52142690694633 1.99343522024344 0.595862166658467 0.162131461039259 0.692930831919038 2.00525474340751 0.752117657808557 1.60237882704438 0.74553828004068 7.2236161220437 0.26594008219221 6.24699943284023 1.27385652966343 0.438965985011627 0.322001852325436 3.27085744933814 1.021774285549 9.76091377062848 3.82924868361081 0.476577490839748 0.435026684624023 0.549903842358779 0.514081944584868 0.320170612905615 1.90950746850479 0.284526594602953 0.418931025477855 1.10544684242312 1.15652149935634 0.348392894120624 1.37351120559569 0.173104840213953 3.57602509127812 0.544586922236394 0.645195334908116 0.370127170305266 0.800773910866706 1.55438380983225 0.257341853525717 0.40294620308429 0.336233291359545 2.52280020134442 2.90710474397521 8.10504188277581 1.5536971626332 2.70626260092227 0.894834845128617 1.84217224896422 1 0.845452476174153 1.02097572026318 3.72832776536346 0.580522360098337 4.62013433414415 0.827165493328979 0.25908009820677 4.94994341918947 3.02898840647568 1.34786952838151 0.492983492893201 0.470771267004656 0.261290885920867 0.148268216290624 4.01780903314127 0.961888917784541 0.622436494595762 0.171702349793222 0.724766391268875 0.908279613552794 0.355732449811226 0.302057184195004 1.97822733645226 0.274571291550941 0.427929888454973 0.829366549035531 0.71259327183065 0.31349553706354 7.01857786173737 4.82889130266706 0.525072084439223 0.451565150113513 2.22111445543741 0.751373159231323 1.06996502424622 1.50767774295281 3.71254731512835 0.45207932451217 1.00105213814909 1.9147584272427 0.72851483617517 0.980455425513107 2.07249967154474 0.385503201560149 0.831736833539958 0.796288536722379 0.249465956085938 0.480883363511568 1.91430967356143 0.316932557728376 0.701068412228376 0.43998784580391 0.919696339737895 3.06494168635145 0.967066886465859 0.692668608382394 1.87642459018787 2.27717568490355 1.89601404004289 0.278211062372977 11.3007357938372 2.12362677318529 0.484663167108842 1.06303853820921 0.555411617962475 0.269294921459996 1.03871122268077 1.86068414931711 1.05343737209844 2.89036136566018 1.4819414489986 10.0080900016058 0.301287274264733 4.20368280792207 0.786381353041009 2.51865977280088 0.930772445658903 0.327151165651204 0.818771636820942 1.86254080008997 0.971424122510836 0.445429119356044 2.19680281925445 1.05805358767755 1.44226513556957 0.393061727420526 6.55683195039704 0.121642524980171 1.51396245715889 1.90824825486181 2.75997679456868 6.86648604781552 4.48091039686586 0.72921932538805 1.67393773785973 4.01319281756216 3.40674547069666 2.88336729623744 0.471341130113156 3.97152198325338 5.91112298175735 0.672315195935049 0.753580162275819 1.92844217051883 0.760659657098121 0.735971175956319 0.461200918917779 0.559483922453201 0.509385169609968 3.30664798842107 13.0677450451917 1.37572091197561 3.56558372851592 1.0054542495622 5.13420276205188 2.67019740295972 0.496519455634751 1.54702857479616 0.667628152967695 0.680168385357221 2.63185815923403 3.9790518537582 1.48357912960169 2.60061354900904 0.694051094120948 2.50832492145459 2.13975379102244 0.190775462581242 0.399417269014856 0.292982627825864 2.60860190520268 1.14701603131976 3.53756690079354 0.385043093870079 0.534407242343749 1.49794735740852 1.50322372749946 6.84786655471254 0.731629078589746 0.391873881832883 0.861714660782767 2.20220949011309 0.762886124157708 4.02544487439493 1.10306682591115 8.37358095164976 1.3008028365558 3.06332184776221 0.873375227823593 1.39462425529867 0.620491174420824 0.427834190380776 0.851066222526678 3.61982939790773 0.57292328420652 0.720176127709891 1.30038273823008 0.903509307854217 1.77250837628483 0.553668507277649 2.60144347298584 0.588929192616434 5.02532484630186 0.651747679321701 1.27200798889686 1.01865950246733 2.97023573625611 1.07937695687693 1.59453699163101 5.0450629796055 4.20391042876522 0.408833526982261 0.997044173041582 5.90131257748435 1.84118823486795 5.2308297023033 0.736545364401506 2.54685772399702 0.902712905236739 1.33999254960756 1.54967189617894 2.45863977893204 2'-O-methylcytidine 1.00043962735756 0.99956037264244 1.68962153210911 0.791992956641558 0.360352292198401 1.84437618742107 0.792304812443784 0.934552613141906 1.48016472821553 0.616037932229035 0.668151638815833 0.672154888640682 0.485458897948975 1.44552970436225 0.978373596260526 1.03023253646344 1.30421358743691 1.17736905551577 2.52798197061798 1.0458439680175 0.612018371141804 0.513612913548756 0.571600616410373 0.956459415249011 0.796219127052306 0.766719432305931 0.37101558579957 1.52574849276168 0.765433949484797 1.08766876331116 0.633479332077107 0.52028693840712 0.887323741275417 1.2103240193436 0.554038435547989 1.57476538967606 2.62391044650916 2.23178109664501 0.908263518541245 1.48701273987265 1.033793440387 1.04269783619454 1.58246702406455 1.2138247269417 0.785993907355137 2.27370880823703 1.06800242960137 1.0272615565294 0.803587157288727 0.627692717565055 1.05699543439999 0.693599538313602 1.87812030565752 1.19014038559824 1.27808566364313 0.575942907474753 0.72234503135646 1.37709696812469 1.61752303383267 0.48421924200787 0.671700891837689 1.20699924036121 1.06649985164518 1.2443912559206 1.09506863934556 0.70508189030443 1.24847179006007 1.33680387804147 0.717255917492975 1.21343131482756 0.865063140119958 1.00735832115167 1.42634105762225 0.551780490798118 1.97256212649151 0.98845434477659 0.908215749844266 0.939760954566144 1.70801830589675 1.14007646098424 1.19181656198979 0.413076117671 1.02792449283625 2.23182498170808 1.20069260726985 0.735202189748139 1.49282382127828 1.47402120774801 0.840124773389962 1.37629732790453 2.33820820005996 1.0524853703511 1.20023123156245 0.413665653297128 0.711743875897702 1.03586846598014 0.982161304403886 0.879653952684912 1.37728920800277 2.11050142374019 1.12706318050975 1.81528971132173 1.46158969563184 0.995906649868656 1.34571720620698 1.58878686151117 0.894673518432503 2.01757499685426 0.809661160709431 0.958639298957477 1.12897820038619 1.0755304655545 0.700212590119725 0.706817874658046 0.308400533145262 0.759116830581908 1.13643167056842 0.941212656918228 1.18963667828132 0.525713928419967 0.875649537769893 1.70655068064568 1.41220967894775 1.08421698950021 1.30141154557755 0.924643909607644 1.32209034264525 1.07775501105282 1.02529915631937 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1.12759834526127 1.28611313491589 0.741623390039567 0.902150678781533 1.14155612550041 1.27359890139764 0.593108180952485 0.810561387047615 0.337020196449737 1.04264230022976 3.09731299137678 0.524156591225784 1.03005621948435 0.701878280699738 0.676154643195019 0.679640592984293 3.59147588962402 0.749137056547263 0.775105751351116 1.36198963225094 0.464136194380537 0.652017470138739 1.4977785614088 1.00538931876401 0.27375113984655 1.18025925586468 1.55816479656749 1.67642300229756 0.296466902895171 0.474055383726331 0.825660567290171 0.565325440753611 0.753696054383302 gamma-glutamyl-alpha-lysine 0.610285394101803 0.794429527232765 1.70321302781285 1.15561163662453 2.37196013418498 0.615892776459946 1.49095766089671 2.25619145031516 1.20957396134424 1.33336737793968 1.84794395587379 1.57579778886567 0.788160003469407 1.03313181807076 4.23063128363591 0.384466420325133 1.5719016979276 1.1950117999915 0.491504705344325 0.457168572418259 1.4055567396968 0.945269471832239 0.608130213391331 0.852808982496542 1.52229577341188 1.43002933833234 0.369739980652712 0.440476999503237 3.05076718603809 0.345311378123832 1.02798026680339 0.671539916371258 1.05459751850959 0.901898816968261 0.730008778008923 0.955318889673399 0.631049435203909 1.4278598588872 2.1612980548457 1.40252383665848 1.39144388858332 0.393449011144292 0.826694622002343 1.2679877492841 1.33706878610578 0.900576655398688 1.48281735982664 2.58856899441949 1.9260841838789 0.829076461226585 0.450704680140841 1.19213853996877 1.70798322711285 1.42530454929956 0.7360675132827 0.908395392067769 0.633601602212501 1.21144041760476 1.15408512885242 2.32297353343496 0.524514748477008 4.03516930919592 1.56214234013249 2.18993119244612 0.887197675057169 0.577493603083939 0.830769054301331 1.50211122388605 0.855295705296479 0.687610515666582 0.697920610439695 0.753665170301465 0.880044458065779 1.69244278090277 0.684076135576831 5.5827299254211 0.534192713474806 0.513064997412479 1.43881198255963 0.860033850290206 1.37942415224413 1.26781420035623 0.42302382255616 0.160514138502415 0.812965951177363 1.20066671385773 0.542194505373378 1.29860903951864 0.576497169832592 1.38212732017593 0.596612268361481 2.40085622708716 2.49079448247969 1.16811375884744 2.01434571622087 0.882261626147955 1.82985495662102 0.831629335315463 0.578647872367923 1.66911604515226 1.42685761186462 0.487427680417624 15.9835325715355 1.26098734019887 0.996221362953817 0.612857830745249 0.835743128417015 0.999942647932391 0.848953038005801 1.33964200839399 1.35582063384405 0.546961169271956 0.853266306312365 1.59358808598002 0.590912729872783 0.913551264381326 1.43681573778446 1.7064337785137 0.368258490325453 0.691476752103701 0.547787431867904 1.16016633356638 1.21946727157123 0.827653737127505 0.962594745812101 0.67759605901732 0.43631378934617 0.348757844564741 1.1243251409702 1.34202958282499 0.503261329252799 0.551681323000638 0.85369935370505 1.11694023733857 1.18799575657551 1.00005735206761 0.456469034322384 0.942360150714948 1.82572474354395 0.412233384575704 1.32151702661112 0.628519344813122 0.204393498349635 1.19221129067371 0.971726609135996 0.50312918380387 0.158637783117893 1.55469159946982 2.2595731796277 1.98158810075014 0.806072704037641 0.825429262549045 0.68639268772137 0.927588693597679 0.582157033260821 2.01529980321956 8.82932386076207 0.841332676639065 0.849091311483872 1.36809028378196 0.885094582594402 0.763024242090463 0.615976133369169 1.62525310528056 1.42275466066078 2.34722725143987 0.997365261726946 1.19368390321517 1.06287750721831 0.696215682742189 0.470709709838606 0.497587402783335 0.645047739311126 0.794282375968887 1.00828022440214 0.334137309806206 2.98747957225414 0.681203032683058 0.548695401519076 0.546183223828857 1.14878642632117 1.07940605884526 0.776981378412163 0.989699882915361 1.34406840954624 0.683747500372985 0.905780923429569 1.46782678638531 0.785647747214713 0.712443489554342 1.70920066223568 0.40905042338789 1.44801156846199 0.809193992111655 0.983649161218155 0.988596444847463 1.78529067167049 1.60637751849231 0.97029477155768 0.478304459186108 1.50792185254406 0.834783699033948 0.86472682071013 1.94292903608694 1.4394630463737 0.638610480391132 5.53572927749987 1.38595639561582 1.52319761503391 1.75000233729317 0.6386033310238 1.29794029869742 1.82726005053739 1.16543203901763 1.40202660208876 0.981591636151569 2.31457640509227 3.4663203911191 0.466692708171703 0.992771832498337 1.32582039579369 0.450990419140695 0.58088782414819 2.23212832972945 1.22576507854601 1.16405173973569 0.401375773968117 0.7205795481427 0.833319178633542 2.34599583184028 1.2854606459147 0.63558755504129 0.587649082967937 1.33633043715867 0.723108067243964 0.751177504727814 0.915729307354366 0.664702528574096 3.99329939295586 0.70932235860928 1.63122667666216 0.583005136781146 0.364801181986831 0.808791663429156 2.19555499477978 0.849561755567216 1.43199046478666 0.729366827674085 0.27175373744962 1.05160366201594 3.031516768134 1.78599068115322 0.317911938492814 1.0402799283712 1.06040461176618 0.695114051657243 2.13316168042815 1.08437259077123 1.49683247673176 2.02690267644815 1.24641237283652 0.846070507374887 0.524968851149308 0.616257787016262 2.06504180140802 1.16889798944863 1.958096929551 1.02713538442659 2.30224115381675 1.084869668212 0.419303951738157 1.92130479253518 1.91453944836267 10.0725075478856 0.721987737813687 1.04541608100123 1.74766747962568 1.09318281112966 2.25487400261415 0.750103056951625 0.695571925424399 0.446269322638299 1.72032932028608 1.33598656044645 1.44666575898509 1.78963850834657 1.9046777210551 0.607986990351261 1.01219273531573 1.19648024861571 ondansetron 0.100948256759119 0.0983105323850634 3.71210510939183 0.873993758099189 0.631824180250049 0.204168349765265 0.88312510480138 3.99038859856126 0.782665227427418 0.726885324794094 0.500970614386816 0.564669239908048 0.907418411506409 0.679849474496646 1.59645393753897 0.653075422505648 1.24660939044148 0.658014714014625 1.22739491221262 0.216707649043914 1.1579015384347 0.781467667263002 0.249073882842067 1.22053302328642 0.373990388598561 0.0754665073619625 0.124063031067985 1.66637662533809 0.0904611815689108 2.49609673083121 6.71577786507647 1.38046260468741 12.2662444616311 1.01649747148709 6.47187438184529 0.822309582582298 0.7326669914601 4.7692030813885 2.2875757790781 0.319995132062622 0.728296947351355 2.57387867974244 2.2414544508923 2.57654732423991 3.6399621188847 0.559005307558107 4.73328658316383 3.29841843568753 3.33301884660804 0.536906933203416 55.4785626423862 0.41129353543466 0.155363313432138 2.04261149776681 4.52792225888151 1.2531244190089 0.268027918492969 0.272462577731406 1 1.13740268584877 2.23733137135901 0.322813223823242 0.139542120541705 0.989918057708843 0.285326934717709 8.33802711377694 0.297994275020227 0.684491853538511 1.8846738858548 3.59754961986087 1.08593059066553 5.43983915193237 0.749571577905431 3.25667507984726 1.16787248541105 1.95093372826523 1.28873250882314 0.127124916109345 0.872456472989092 27.5472136410071 13.2578012858807 6.73368656270898 5.81860273547953 0.0948296400303017 1.46504262021883 0.398245243355246 1.77238745768799 5.64063324412746 3.77362743391914 0.615097186308411 0.720008372218031 0.48405889252839 0.435454836997434 7.22511871543537 0.0758787756741082 15.8371294391684 1.78823322811242 0.952704896360107 0.716499334622729 0.339177897344398 7.6562768445142 baclofen 0.1096869965281 2.55801374614961 0.896182557503293 0.260088707248664 1.10381744249671 1.28401771446062 metoclopramide 2.1258077990071 1.45074881308712 1.20414622815385 0.666315952838589 0.680593770720943 0.722973962177793 1.3313670901969 1 1.1719278255833 0.680263354558724 0.451905151873457 0.462391742673966 1.49346370009802 trazodone 4.60370994405276 8.19134315208822 0.00509920086208981 0.146610904144219 0.749524816407944 0.589301248043011 1.96965835843968 1 0.715390618561086 1.66666788734875 25.9405904471597 4.85408969383705 11.6844539606663 2.17065563511265 0.00813856688864256 0.0191068807466551 0.015780374997066 0.754543716978711 7.85226299457258 0.00402136799576297 2.12419631321067 0.229481775451795 1.84520596671756 6.97690303307437 8.52861580299144 0.251252508060473 0.00848897618187469 4.68800839570431 0.240903785955779 ceftazidime 1 cefazolin 63.1977717951974 10.9397490263671 0.154931035988433 42.022949079506 9.62493563124949 3.7108444058827 0.00933224199301665 0.1081333629049 0.168450334732696 0.0377186672582195 0.00636323480003383 27.2902177639611 24.7007621484916 1.72716640973861 0.0364181503422471 0.0200552774383925 7.82957111717229 1.32578504807248 0.0705934559508084 34.676934338876 0.0498307033873087 1 0.240332943269416 N,N,N-trimethyl-5-aminovalerate 1.22026084040192 0.211302876835889 2.98397276231777 0.580497860836658 1.07546303146171 1.25199554010742 0.228273714879853 1.10945220862832 0.736257932238875 0.497293939331085 0.317117139086575 2.27540605918192 2.12549863050128 0.300645566670477 0.692342604707764 0.630937899506929 0.421323245272176 1.39000526805339 2.30454404016121 0.647285551860586 0.698068260107023 0.737492345450904 0.828195869343917 0.637638301081366 0.947115524457486 0.67283025861543 0.852539626415691 1.23898041725546 1.05856193213055 0.787644510728268 1.09390985015796 0.471772250841826 1.31474628191023 2.89435333517795 1.74125103409921 0.625309512168723 0.419272125759451 2.23613499141988 0.865190415441526 0.608760104579055 3.12136337352854 0.714971846405649 0.794476984091854 1.23489084103938 1.54993217746109 0.305389305138353 1.13597039044163 1.22172859333683 0.909082379294904 0.783311950882116 0.209827269228719 2.28731785273225 1.60017299622052 0.176863420392335 0.366405159158751 1.11414841838454 0.245242411368495 1.15419378274367 2.36795441554425 1.20796035456074 1.36123027379284 0.441484544801104 0.555716342224202 1.09808658076739 0.752031350711928 0.771699968168544 0.927061938252984 0.648691545103323 1.67012603726621 0.748168102352113 3.21175344971316 1.12700659286441 0.376760974603175 0.703508522172602 2.04570120505491 0.603157187932688 1.74484297503276 1.32440707284568 0.84607608085981 3.01745086766927 2.42415139704621 0.927650941957064 0.337411311760836 0.0444675793825768 0.590542577375301 0.332335196998824 0.81106140956515 2.10275822826572 0.373382892147319 1.06152857345145 0.545471763308121 1.03676568637029 0.252286021362049 0.55498540176001 0.831573799818427 0.282632696164784 0.891358694748283 0.86130950270443 1.02531952221279 0.897375636212478 1.66831627794646 0.43018862802001 2.12693282319183 1.17470727140758 1.04839795859348 1.57867164262803 1.5833291662236 0.430769915216688 1.9778889801487 1.57430097691364 1.10722027967227 2.24778412666416 1.36326568396104 1.87428163210625 0.905698514639681 0.751010422932479 1.10467742451652 1.55562510851339 1.63122916830126 0.844472656941162 0.354352962478241 0.289056367342228 5.94785093110076 1.00651134023489 1.12917185727577 0.365474570472653 0.846968321889167 1.19769286100271 0.383624617959052 2.3547300489209 1.12905474183266 1.47689344534336 0.517869871603223 0.365095515180752 2.75140129131986 0.946508289900202 0.907908288860512 4.29602498835832 0.484436296785925 1.07903659646896 0.629847834031811 1.48683182329792 1.15704457282992 1.06064858764513 0.688453042850467 0.697073659641542 4.40897693705535 3.18272014243139 2.79601518038036 2.77312746677165 1.66142734351306 1.14327196804426 1.80182932000973 0.469755997231383 0.486678367042652 0.962266164826567 4.85709720846019 0.205428735662179 2.13895444398894 0.782618667250367 1.02660181645686 1.3493561301667 0.845538930427482 0.936119881365434 0.826939315213162 0.434289464672135 1.08179740669049 0.99591913853243 2.6468355074639 4.07260115019137 0.970907188567383 0.734158344493456 2.82956054438544 0.944805953758674 0.423054409511628 1.35676285813562 0.932965411826356 0.714626385899323 2.16068524105528 2.14550257407178 3.7946116913757 6.26259092305577 0.380487550284021 1.93256169756116 1.07377378644062 0.800078850685288 0.739992307326038 0.920700911022815 0.539398692369775 0.456397140933839 1.54601224696768 1.65954922022085 0.898108683690776 0.261842490920367 0.661633074442898 0.603652398421929 1.22733911595871 1.5843136253884 2.77524755127397 1.03720717836218 2.44510793205667 0.657003087103808 2.29751023987268 1.2187122402995 0.877218433271632 4.06316350241218 0.855251139415372 4.62893531040109 2.47861474806596 0.984453092451651 1.09008561264622 4.72121815535302 1.50976120051999 0.303917310542257 0.387401299126178 1.62715322895681 0.654549431181318 2.99035411359877 2.28776544470268 0.832458676660776 0.183175703060091 1.41653129763072 2.23940618263222 2.10630950728114 0.348152724603257 0.911691429234817 0.987784309387181 0.489127311543434 0.415013339040003 2.44460673212077 0.95231546947478 1.31478514077695 1.06739285656244 3.6651992372678 0.870603811350185 1.04496721460144 1.82167471940401 0.177820253493486 0.720501908721627 2.96715806438147 0.995791577825942 0.785515625124402 1.49485875259618 2.87698815390039 1.25388290662872 0.864362400347084 0.974477513608677 0.453487492617463 1.83103617617146 1.11406700474111 0.787670154126182 0.680132050373595 1.50454637514733 2.51369778333308 3.9611119321366 0.0405481670073956 0.593730199572404 0.380843020834415 0.305550336282042 2.41612537272777 0.201950656389297 2.96953201299655 0.672111877336961 0.444663158649372 0.227187911790649 0.632485608446004 1.07640652474568 0.355069015678827 1.71264221762337 0.802275036392192 1.30718141735143 0.315770287311926 0.930169887683886 1.06624840939864 1.62256311599615 1.56788138850779 4.27863390807785 0.257617326619465 1.43790398519785 0.485497409814745 1.78302754197306 1.37252442897198 2.86571725877534 3.21943882857062 1.01614255698217 2.72999237001834 1.00408086146757 1.53453605958622 0.495241825031373 0.722335162975728 ethyl alpha-glucopyranoside 4.40611475242239 1.44499221882703 0.740489361943817 0.371519770994968 0.397731532493497 0.491406631604058 0.655146365567458 0.204996989765202 0.755415582792816 2.50365771926437 0.41971192620949 0.519998182499744 0.458810900457783 0.934609748616996 0.548646530278418 0.593044653709404 0.349931275771586 0.547414037917599 0.438369702270739 2.33369872661388 5.17305442277328 41.9403632728636 1.86663523905808 0.480700419160996 0.92519850510604 34.4259709427147 0.36751559074438 0.557467086206309 2.16919223473016 0.498971976417934 7.02734769915827 0.515318119341611 6.48118319266639 0.756199379778038 0.626782002203719 7.43784149125896 0.237217861483762 4.86632853588995 0.633075096838685 0.358842706712256 1.53517998932219 1.28033237535924 0.312610043960788 0.955812025036066 4.01414242386378 1.02286642509059 0.558006656594686 5.67066895368782 2.18015403314666 0.431258732520759 4.22762486794725 0.291714470709848 0.474242613565368 1.81099701248396 1.03026137925551 5.9675349016846 1.64272488725819 5.78153646927857 0.51338702532005 0.328694921222723 0.321192052980132 8.20870014653596 0.658457623845603 11.6466779503141 1.01395499414992 0.827553303874683 0.282394102211671 0.55324707780037 6.30499926164052 6.4192348323924 3.14015766814717 0.969079776901844 0.558551906671362 2.13488691740597 0.567417900105642 95.8853838901321 0.526132245862347 1.38348119455204 0.729402610384742 0.471283495961742 1.05050378835209 1.33640225824407 0.300154487521725 0.540019083752684 0.331938023241285 0.356008542251201 0.441981984028717 2.15535083434621 0.973328183749276 1.18721956539025 2.10286483477787 15.6364033941817 0.854849885838265 2.03298194995059 0.910953846852885 1.48163756773028 2.55340042938444 0.648586325582452 1.44641782059001 0.395732282212352 1.30560130860018 73.7350084627356 1.97532175434212 0.665960492088194 0.286403962150557 1.63328524530574 1.98979360012723 8.21326093623982 0.156157350084627 0.336987266138834 9.64809787238876 2.31918144332239 1.33694750832074 3.24718003475969 1.88513398384697 1.0513784603501 0.51347790033283 1.32903002283235 2.75643792668658 0.799762589029114 0.428384810241614 1.87044630990651 0.340406438494655 0.708881896561517 0.563033180739041 29.608209421467 14.5987754592028 1.87938613928868 1 0.314796723955789 1.21682778049141 22.1326945577227 0.638550316358638 19.9538298138198 0.609362398191587 0.33595356286847 1.69827791850783 0.56110776640578 1.18943464382675 1.91391864414481 5.24240909658878 1.53060216055343 0.518748651074029 0.316608544523077 0.443924437426874 0.357763565935502 0.407012143173583 1.62206786091579 1.40644985403201 1.49394545227358 1.47467426987607 40.3718264741631 4.47537855122511 1.18758306544137 0.426703622505197 0.846307634637011 0.289635704792521 0.594464575784081 1.48193859121011 2.27169924914521 4.5008917110629 5-hydroxyvalproate 1.70062023058958 0.620147123827278 1.06443510491874 0.909133234439754 1.81395620586177 0.331552273229834 1.45834452879694 0.643879753517624 0.65136651733538 0.776269702777306 0.454734692094833 1.37433041599561 0.665515220380462 0.465671449978516 1.59234502410331 1.49593476042241 0.254158938461957 1.12411540592598 0.379392099474715 2.06456865012551 1.08612385266031 2.43168579556927 1.44564881589536 0.738354069046988 0.513854743518884 2.225488794894 0.972133185732341 0.966139201212151 3.56546767920155 1.10041318978443 1.35193392439283 0.523733887393493 0.858344208654324 0.778061815423602 2.097707069961 1.47372600959833 0.443789930645675 1.56545990430937 0.326436851525399 0.335589500328261 1.87849970192435 1.64420058215649 1.95730029217587 0.30045384789704 2.39738274262066 1.04455264756802 1.11133554125026 2.13302886245781 0.500536353223413 0.488443651811973 0.641965071982925 1.06906756861514 0.889202069676297 0.698130664380544 1.90403221915317 0.545587965930423 1.20914963031531 0.750237763062905 1.32008339257877 3.21352712328304 1.63519977242433 0.938386266247524 1.15748707252671 0.714098234847936 1.3186868847402 1.01157795781481 1.03734234976907 1.29528148654109 1.44323768462796 0.379861794431394 1.1558211875416 0.998504933969441 5.35960865766258 0.692234323359138 1.02574060993114 2.32441446486675 2.32449678725448 0.99262871619837 0.430539227646785 1.00149506603056 0.413017822110924 0.932245016122611 2.24840506090599 0.397716148290976 0.663721049674472 0.409573316204179 0.420866118414809 1.96372075239918 2.36070857623202 0.896752862017845 0.246233579256222 0.988561075551143 0.737098195287455 1.75642566254087 0.820194413465564 0.273751438069211 1.36580524672591 2.20354096030437 2.7614788851079 2.20301661242917 0.68008536831608 2.17849597454958 0.65252154616994 0.226718828570716 1.42809127997821 0.418467564178876 0.810122040653082 1.15314845401986 0.761183896551858 2.96367821916552 1.78356598173678 0.403092714903165 0.768804205576381 0.375373394913528 0.555082252642377 0.366751725511548 1.37736148057729 0.951291443891233 1.0555541199954 1.44255555217627 0.920324963052112 0.429242421366684 2.64968028042664 0.421155618811672 0.695872972896955 0.8228392488448 0.116536715441919 1.21093328204954 1.10862759204043 1.47679640598749 0.431936192831961 1.14277057367957 1.19023125959427 0.393319446766114 4.41265285952531 0.282104187671262 1.29298812202282 0.725075239232289 2.37697456535494 5.16574629474936 0.266218939591603 3.60117227080132 1.64286330070242 0.520771882148184 1.84097487086247 5.86216373877186 1.84462129529246 1.28264637206381 1.25243862923163 0.590023990115825 0.429525518911168 0.35032269232625 0.714601316106307 0.379974530367929 0.243559245021382 3.17309265316137 5.78129662791493 0.262759341247106 6.60217042975259 0.677683155307359 2.91455096224581 0.821989041518153 2.90833996676462 0.554588318315977 0.384929194742984 0.886864113864668 1.2262594239125 0.43636490861872 0.941726725803106 0.649744537623732 1.00181337926313 1.32790996491923 0.431424421988218 1.39395630190455 0.229007162276406 2.01621430895729 0.554276865282385 0.800688352365431 1.45912156066783 1.67944050961217 1.2875278609831 0.426909725040938 9.13727967041775 1.04534019841067 1.77916402072603 0.585593216269373 0.902310766556347 0.569227296914671 2.12558897666641 0.793565636440096 1.19764393326307 6.51547626588393 0.513824558643382 1.07891835700064 0.577290317446561 0.79139369744373 1.03239683232599 0.806462581845032 1.08518697815324 1.56518915512305 0.562615894486481 1.35162498676553 0.855295536228596 0.568076155526199 6.08381974049697 2.29996425836333 0.354347342393217 1.12945607083018 (N(1) + N(8))-acetylspermidine 1.00645972132054 0.571639024103849 2.46004135974274 0.582493455179085 0.864899204093885 0.804318211475024 1.06852536732686 1.63276280614038 0.306387808204568 0.581926078147303 3.44285632277283 0.580037512729485 0.433478940847717 0.350013578870967 3.79596376478239 0.882906142534138 6.67359778689896 4.7645913438478 0.710270430867399 0.982958068860598 3.9566821922456 3.06208205515007 0.202445957755347 0.523952416684922 0.957095030989355 0.759943362526586 1.21611247756337 1.1536409010106 1.11719861149062 0.982855089737918 2.94067516822722 0.169839475245676 0.169726055522522 0.215692086785264 0.859756651528202 0.330011754898064 3.3569638692058 0.569971068574055 3.71828646289666 4.65380286082546 4.08031675528967 0.31434650393622 0.998305995172023 0.599515670984592 0.845916034707271 0.887080677425833 1.14253290255184 6.27340121823363 2.1828106684631 2.55080553669915 0.284104817434007 1.79719920103653 0.815579408344744 0.576292364933301 0.631374884916306 3.84179375502095 0.956035971279231 2.09754496414254 2.87923950805352 2.79332526843349 1.00169400482798 7.05182204226185 0.192829712292375 0.31932308575636 0.700475442324305 0.300262621124234 1.35205268034663 0.5557646131125 0.471366279077355 0.837265440382179 0.962042553138176 0.570309100415416 0.442840540065117 0.658648865535663 0.974190400602186 3.11630583574405 1.14090416887783 0.295527217175052 1.63607905406907 4.79219246328202 1.41592688196913 0.318435217092015 0.688693050678901 2.70575974344243 0.360588689081511 0.491490432085817 1.50153221902313 3.93224976025336 0.424835585338954 0.318698772649991 0.236675570816775 6.08683697988996 1.77120325432125 0.840912098513887 1.46116422892276 0.720237654516319 1.48206203042638 0.30326401534462 0.367779269836258 0.8762439257674 1.61203250667037 2.47869175239023 9.6996389936173 4.79883710503796 0.411593458539218 4.25494916219315 4.68233796157612 0.412138805903999 1.40333649225301 2.16521585532557 0.970989173288719 2.74033031171335 0.537346384617557 1.42162553571809 0.812561169955592 4.71374777726141 5.4386654657424 1.51903633814453 0.719939888590789 0.301787401219521 0.397859022625112 0.339419153549546 1.90795169878923 0.608606441025685 1.43461820177049 0.655249754041204 0.307323042393066 0.428630256383388 1.1151734134146 1.21589813203563 3.49382392369285 0.403875975480528 0.309191979481993 0.734382371227069 0.730354561574042 0.910290062676491 2.73008341917972 0.928227014291564 0.823267866534115 1.0099645264938 1.06736259765202 0.591641857334798 1.4094165063353 2.27835364746467 0.848803974402502 0.738914322675006 1.20941674646911 0.632288367853816 1.95104308472135 1.05355024005638 13.2328971001041 0.539735820442135 0.822377387719651 0.832194162315735 0.594952258527226 1.64614918723667 7.9125349831895 0.370116085034445 4.35088317648448 0.948248396989355 0.739297353504411 0.613480739763178 2.6312294821537 1.01967000428882 10.0377578747838 0.859729923590987 10.5119219215702 1.88933071383308 9.66988724969335 1.0230981406526 0.449110190254016 3.84605164070643 4.38804705070525 0.351995448455025 1.1338130870456 1.70884739442373 0.423956103956989 3.40022352281556 2.57341131603438 2.59489368675856 0.343971881792426 3.14347039887044 1.05972334949289 8.65258037091591 1.6590061950869 0.99512686712956 2.19728704824892 0.62978982775428 0.584197987612541 0.270772031420152 0.516749307209605 0.431612787918917 0.946510245822372 1.61238780030451 2.65690824342657 0.266763467273999 1.20994082981092 0.605909877537151 9.79901252452693 2.10991439595062 4.95659123721446 1.45028655011047 1.29637066108438 6.84407852382577 2.78137241658434 3.26501360523348 1.16777009602864 3.37383932497063 1.65651043914749 0.512223272101938 0.456507738512168 1.82474752583435 2.72990568535764 0.292702373508689 1.60339945255407 0.840690653377824 2.07494812892172 3.1623269585753 0.985598113898564 0.992748463539483 1.20301951214241 1.07834530890509 0.624521500754882 1.2286745384502 0.667513526972482 0.960853403546139 1.12916259998028 0.376396106219816 13.5287557715422 6.96182020315007 0.697231060528877 3.98707304012659 0.567761071869631 1.08685934017598 0.905129552277992 0.624307468445156 0.481014229163768 0.217618760394814 2.61202476322502 3.04197046566418 5.769437191949 0.541098910438076 2.09347667976167 2.0853986827686 16.1983565485595 1.05382883007904 1.37332404653522 0.351108484642721 1.47412049208151 6.1998702268163 1.23322667505905 7.62171578078839 1.12723568275672 1.77370182922279 0.679953920061786 1.95681301296954 1.56027973779267 2.73851897193704 0.270443570129226 0.280580731951869 0.710817135510242 1.65667425216894 0.251470736937082 0.28666335618427 7.61378840685816 2.87477030461444 1.08699082213795 0.589983750771452 5.15977844280149 0.812644485947378 0.945250726583138 0.467762845031612 0.94634625879092 0.895624638418079 0.988881682747773 0.828282312931977 1.53819953828533 0.776404187244583 33.6809877309198 0.843433607934467 0.966078924083592 0.906144552654115 0.63342113820329 2.6587267176132 2.11137646283906 0.523432057157276 1.03267739158789 0.569953980791279 0.725696905296393 0.57574590390447 2-furoylcarnitine 3.23626389146451 0.841355146212692 1.78773829948456 20.89652432457 0.478169722410191 0.758041360304277 0.987787669525298 2.07458560482598 1.01532067806435 1.57143488742525 0.173135329176589 1.66880808194936 0.220708644301138 0.264929217853287 19.9164602417658 1.05278541594259 0.246410540135264 0.370514787064067 15.3743342106136 1.78191582776488 0.300577580352198 1.22981876773852 4.98169378539261 2.43842192717551 1.03053696673908 2.4123282641027 0.651416809639193 0.568287240300691 0.385464575767661 0.606765169313449 0.606233397481637 1.2169444857226 3.70251357369093 6.84849046802062 0.966938038142655 3.29270662037509 2.82430774483303 0.452079743668784 4.07023686566559 1.05272646664022 0.389073992427471 1.57618890303945 0.34968480544888 0.410906112182979 0.0821605901807656 0.591057636452284 7.13550479638543 0.814671990116167 0.541896374495093 0.736093798164957 4.80703191490668 0.175061006387403 0.253865170664371 0.124369518789476 12.676116567333 1.31171162983768 2.72701560559969 30.0981849755422 1.18870162933416 5.41576451718679 0.0896876792273712 1.00144302979764 0.735419565519079 2.90029830803221 0.829712658994251 2.48177299851767 0.581699434700752 0.38505438687199 0.465494394289778 9.77003631522648 1 0.321950386793391 2.34409199038635 0.435454812289456 6.0392369012808 16.515759727556 8.35483918507502 1.0169663460889 0.578218969639881 1.39734408830606 3.8550989304386 1.89884790957177 0.441963797759681 1.85643757084662 0.375249152910806 0.624472066013394 0.593167530233009 5.17848006592497 0.581967162782358 6.13449037714044 0.540475450685838 1.53522036600148 2.49745596916952 0.148288198226854 0.83706658446514 1.02588856862497 0.340099403261124 0.152697114800082 0.186834901425713 0.545761238131848 0.544477862694794 3-hydroxystachydrine* 7.10776705127404 0.134836579935661 0.226096629896952 2.80083705598646 15.7637930008511 0.200916277571275 0.0845984944292439 1.17551022186852 0.117000603478537 2.21694602593756 3.77833659315929 0.0173046268290689 1.47103723775131 0.358113871110449 0.462493117699953 1.3917286474387 0.542316077293339 0.0798032744120292 3.59634228292805 0.130078927058439 0.327444659094734 1.51885494756228 7.45573448867817 1.75278673044465 0.313698842571444 4.9708668332043 0.328535909377239 0.635275063593655 1.9341646390429 3.93108112819231 1.04931032741716 0.246358842523358 1.64227081640308 0.741545440010387 18.3882666100855 1.30830675583403 0.964310165127115 0.478354865816187 0.0542116370377138 4.76473052639678 18.9937751249032 0.0785686679233126 1.00425410293276 3.46936625136444 0.227504195498194 6.34039976245546 0.0860257452118426 0.475849287847241 0.121966528579878 12.3638069457735 0.304970793802684 2.97620888051125 3.98724535489827 1.11184759402003 0.0186858954323166 1.3436602896697 1.73508569515438 3.94563749332808 0.226693346348594 0.652102738013378 0.566326288342526 0.388015060516155 0.796583554127937 1.71871694091681 22.7626435966359 4.20936647977265 0.0463048059491924 0.332090512163338 1.17656495689096 0.185768154846341 0.0572146039401619 0.527307253523497 0.585760972009175 0.660569770293469 9.08015355042532 0.0698278463269555 1.19219709464755 0.026435695875669 0.612389312178726 0.0207046032669587 0.135267399897096 0.0958360281495088 0.229649880266011 0.352196295218815 8.84932105659234 2.13062319978265 1.51737164660682 0.181774617596569 0.844974237958079 0.0737781062314569 1.00349329321363 0.74589255918177 10.1667270245383 0.441666947167979 9.40586365953232 0.18100839820928 2.92860740715807 1.21971307120085 5.84896807574497 21.7890140759566 0.321375311957531 0.742548182111069 0.436152391554186 1.27640984968335 0.102109740528272 2.54265192752487 1.17268502267252 1.85991423872745 0.112784067685768 0.14239959655897 1.92518999956723 0.512139445617207 1.73241346935243 1.37976651872226 8.16334733435596 0.660572775664668 3.71628830045057 2.79131904539794 0.868375861339386 1.96933694899524 1.64285656324984 19.7102991967244 1.14025826957939 0.08091526175581 0.0307181995662648 1.48337128115368 0.643000821067412 1.40181332076688 2.1380865883507 22.6011779251879 0.196344657171297 0.895319014142075 0.111255836430869 6.25181208856468 0.350879642096355 0.0269140007020547 4.81776360711864 7.64335004520078 0.129581087319257 0.26186896220926 0.383985458811989 2.23964920105212 0.797831384249932 1.23525820346123 2.81763122051731 1.32464169964561 1.24740591384923 13.17676541515 2.08422567813196 5.08604302609624 10.3373467561225 0.016375666591332 0.658747012661028 0.522464548641332 0.0808293081395069 0.669867036367396 14.1656234522338 6.95937234024649 3.97152020090305 12.5993054286621 0.961828630127764 2.98251069311073 0.128395618649651 0.668914934771424 0.422530696861431 6.66628658738898 13.6855208127966 1.85842327407543 0.518934890436188 0.706556157164084 0.169262956756315 0.0371119765244445 18.6021778121859 0.763872192382226 6.52996279951529 1.124996243286 6.6352448596131 9.61349664119715 2.97291258937974 0.45697811128048 0.991767837479143 7.26201367083251 3.03064051072076 0.657632170214608 0.0342652889243656 0.244785981506148 0.266754042825337 0.0126488560355067 1.41251003793981 0.0414808846370233 6.04051946639033 19.3976244343891 0.646870987829449 3.76397482580869 1.56581041637615 5.68674670370887 1.11414745433038 1 0.91157626910815 0.161820605786662 2.67057179591366 0.544263107024875 0.0503727261361505 2.06530100595785 5.42858411553128 2.91946581931228 7.7535455866725 0.0189745613360197 0.235119054774693 22.3328547780594 0.555978344497286 77.4890365561331 0.259035798779579 2.84746884632215 2.05655747952741 1.32364061049908 0.550924662556922 0.740238704612884 0.448755565947461 7.93629755098312 2.3347048845697 0.103000682820337 2.92201512543217 28.0779354362116 25.2458784339371 0.0271239258803333 2.02819398829588 0.342192466375907 0.811065686595083 0.0624218603488154 0.069673370247306 0.619760135313833 0.186661501435365 0.776868319059824 0.976585754059655 0.714066730059963 0.120442805381778 3.05756397834209 7.66044068960045 0.410379830833666 7.05598225147985 0.829754286861479 0.297521831016393 1.11461794519165 4.2063815450974 1.56232568847043 0.138611626699237 9.33743180812749 10.7632577442405 15.7987057970004 1.2539848216733 1.48169608724713 0.403620450469078 0.571387183173768 0.849161020575973 0.055874659190906 3.70900298012608 hydroxyasparagine** 1.97885357063278 0.661884173902871 1.20615635386386 0.689662512840939 0.810293314631117 1.25516434140268 1.13735726469234 0.81475428767502 0.281054568600237 0.780096793617205 0.919136835636888 1.21821801690376 0.952377190572949 0.351138731588121 1.08920438492996 0.480634793901236 0.948003054990124 2.90673415465089 1.92167743441133 0.766391852233999 1.28712535138266 1.81838819420595 0.56005549154978 0.390886468763691 2.63724374280312 1.2866130706661 2.25671475190568 0.756671182415655 1.44827939711887 1.69333471228005 1.08137062077629 0.371762628594068 0.685633314950727 0.823347276575203 2.71007625113032 0.571047365312233 2.3030108778996 2.71424264014828 1.37204273970984 1.83956447395042 1.80646342077484 0.585962905328172 0.651399153515666 0.67803202191681 0.766856492954557 0.486716129847332 0.355905746378531 1.10654745410957 0.896780410674857 2.63909808441988 0.61907209951573 1.2151440310854 1.21497457742871 0.311049674947483 0.674077902248156 2.30638035230079 0.791496622535346 0.618461222098566 0.345141217913483 2.136302551363 1.46327423662183 1.57081971849587 0.275460185777893 0.838824244898525 1.54005815094703 0.403435084927338 2.17447002765833 0.62597778830414 2.67613456308847 0.735679432275977 2.36169460893141 0.783259727529375 0.453979010058974 0.40443492180558 1.64178461837197 2.09113832755271 4.86705214860905 1.81103716191056 1.09770058624332 0.65476470817035 0.582618457000833 0.588097961098627 0.403688360855482 1.15695268051865 0.528549172164614 0.271208768412632 0.716213368084399 1.53219725008676 0.411846559412352 0.411148543015147 0.403024416100992 2.3038050788457 1.23192657651451 0.572834468200454 0.617847932529705 0.611812427465845 1.91765818664687 0.271257312965526 0.638435647260203 0.766456075772921 1.71446636721814 2.11189971720537 3.44633490133244 1.88538329542738 1.02600691503588 0.853514248730831 1.04348446167257 0.531610192667602 1.56494914430426 1.01125932108181 1.57899208844395 0.661203344086505 2.12840396063248 0.671223723753151 0.491075491001016 2.79779233846348 0.734181787591349 0.561028493240397 0.668623122705252 0.478923372272497 0.351633222685925 0.744162668273964 3.00056987083832 0.53300622546201 1.48052504099904 0.53295104749195 0.508274735635712 0.852161333148 0.617539780150464 1.28956343371 0.87945905086052 0.502336922715564 0.542492615046821 1.02799332195803 0.861521687806664 0.464969376226617 2.5689129125797 3.04116005199393 0.612075352000774 0.980939478812413 2.43012222674166 0.559996996871138 0.596879700869068 0.961392909057961 1.397737281101 0.536713099581763 1.13607761821729 1.32349818681572 1.5741801473282 1.90732332270278 1.53843628045002 0.330704188490358 1.27269465385774 0.877314648002241 0.323300993414524 1.52311007160774 2.64453869257157 0.614823395821128 0.444430507567975 0.594220605142527 0.583835689050731 1.84538167928574 0.600485264617564 2.34310114061608 1.17137433247471 2.0777840527224 1.2453764328558 0.799739547920559 3.35691613642045 1.35680608199929 0.493458998396221 0.589271774417986 0.938327009978167 0.493758105206599 0.810357839689001 1.84920132149731 2.19067214908545 1.86598688211604 1.41011403145627 3.55415838368951 0.579074704639563 2.80353657620997 0.675163370511626 3.89023473552717 1.41151850678161 0.504577811641708 1.01536932605386 2.59493339596887 0.838837511732857 0.343485577292728 1.0226302041796 1.6235285497752 0.573395594988876 0.625162481030688 1.12087653974427 0.539327570501918 0.952347641714666 0.664462161028614 2.36388996849428 4.36156224210706 4.47968832587928 0.638692239896929 1.48762611407488 2.79123550711419 1.2634772191871 1.64813460771328 1.60794574829619 1.13081731840493 1.66357569528011 0.468223368865333 0.854179098042207 2.78359893636171 1.90225810565888 0.40425913625069 0.483090665847339 0.882249307335565 0.886230563710806 3.03733618851689 2.91378547709798 1.01931078192611 1.36004077742443 0.754644371952586 2.05294100088013 3.38869502894733 0.333318056372588 1.29232233221299 0.565432177681506 0.801406043223949 1.60114709873932 2.97799424159086 0.84337989489652 1.37078359652421 0.657855880569545 1.64414279817436 0.997104211888229 0.428700564835472 0.919640070784592 0.286458994476474 2.14137621093784 0.803776886822747 2.3476685498536 0.594207338308195 0.686720592327971 0.805886313481425 1.18914676465631 1.46477007219269 0.978539689393256 0.388006359637948 0.616965386527711 3.28799493206929 1.30708138388761 1.20922129411336 0.831548893862612 5.46715146895516 1.28457239033077 2.3922013929573 0.96665954076853 0.985601263485059 0.869435656004253 0.42735337811292 0.672896550954745 2.33389184695742 0.341308911905506 0.744036934866778 0.791589490375666 1.00289578811177 1.94984563736737 0.288704707706011 1.79899328848942 1.54505220951588 1.64026858103066 1.08945102744094 1.5577735960448 2.66162969189888 2.31388757141854 1.50578268141416 2.40178366557205 1.76998897345156 3.30739104386166 0.541538609050815 1.73458009414025 3.87122607560106 1.30381985327484 1.79215544146748 0.84312119162706 1.19563665879602 1.28046117928287 0.702653155802989 0.418036442184794 2.4348826081149 3-hydroxybutyroylglycine** 2.74463813296 1.11275114168289 2.24518485434489 0.555552483149019 0.575390143866772 0.817793902568779 0.542176894875006 0.76554849770341 0.474327538707814 0.376749643684331 0.480303603191482 1.37197101625256 0.235582815816508 0.153430939681513 1.21078048009291 0.690706277467565 1.14001237111171 3.34348650148207 5.67185415793786 0.412299758408659 0.33599079800884 1.29816964052242 0.791801643831005 0.460324678564494 1.49175710061537 4.59940410675223 8.65928497619252 0.49569325413738 0.97286380415893 4.7849873132987 0.419550203690535 0.236972311672667 0.541101185234255 4.35914635722457 0.500585493819554 0.690964159242297 3.21926352812324 1.21606254805227 1.48900485887736 1.21033715186712 0.508158141039089 1.19302931737071 0.21340348038205 0.457479863881704 0.258096976772005 0.635904596968056 1.5704645418571 1.26151015326834 2.1845703142611 2.86589666815545 6.92423715986205 0.377933254906817 0.852027257322129 0.674858270220426 8.60058952134378 0.608066289441935 0.495292906207377 0.268024823976152 3.30861234959151 1.30719520207652 0.803567424662755 0.233817618074086 0.779701638601235 1.33315019118718 0.450250457905459 3.3504120397727 0.471233257972544 0.731922577759771 5.54637664084042 0.628190385277776 0.353346421785179 0.355249577260238 2.22051055782413 0.375484580292903 11.7002905828669 7.14745427407483 0.252320485130321 0.12899769349098 1.73332139102271 1.74228563802897 0.252342125558969 0.980368524477429 0.255858995775909 0.276474209117473 0.912049090110144 1.22418672564084 0.447542699270778 0.283273511574323 0.309568135190162 1.43486441369767 0.568271043964334 0.738622995480156 0.533655374971522 0.291822382575127 1.08101936036904 0.209739034464186 0.922704296166098 0.602757170946763 0.994824931937846 2.45396660040287 1.32679872537875 0.388680132223019 1.09313619704332 2.26018768262869 6.57445449588922 0.491452030683723 2.51821733362267 0.476576941041253 1.38220603731892 1.25511991502525 1.96052214747591 1.05382665896428 0.46151730663225 3.23682774158683 0.816109555872281 0.573535378794664 1.33872981504046 0.259077708975909 0.495373456691792 0.724837140746342 1.04733483093115 0.776052521320331 3.96733677856972 0.755942852436923 1.40328832324549 0.542415841274669 0.453451137414919 4.50329956424592 1.17288297998321 0.59031151998163 0.473165267352468 0.541597712847141 1.38319999422922 0.487415790179213 8.28470057761911 1.78249716119655 0.280670348344778 1.4973081711253 4.30965439634325 2.89385009073952 1.08713368314686 0.994536092327687 0.749483485046764 3.94894692264088 5.96456469977211 0.653852928040165 0.782174959258887 1.00517506806215 0.343549619398961 1.30762440391139 0.752485493398768 0.328314757630205 0.611798061137818 1.76851473923584 1.23136443503754 0.494617845058138 0.475274908584217 0.528796497616848 3.37218140930887 1.67458235475515 3.21270737992718 0.822047749605814 0.704068039912164 0.54336711845069 0.611204452157521 2.38747157439529 0.529721625941584 0.857061662598066 0.482619429618413 0.979159966649695 0.260695932140425 0.82033154338936 2.45727067307143 4.88977628004638 2.46689435202846 11.3461239287236 0.680044459058413 5.88089709194718 1.13211090960132 4.36335091217412 0.549740224687762 0.560166402873849 1.8282946200091 14.2340583678428 1.0384844967368 0.655551100566078 1.55035757802727 4.78659110951079 1.75473219067863 2.25362582376396 2.71227397023119 0.239030256324866 2.15951129900881 0.545736444826224 2.94127028113922 14.5140308123637 2.02184931889756 0.922510133431276 2.15938175699843 2.42220476293812 0.911792110019939 3.04975374995567 0.368461660073349 4.35593034907815 1.61987955899211 0.786996266424935 0.489435563519768 5.07864251995578 27.3941193938516 0.198367590332259 0.235124158953757 0.727743871099989 0.592415751106217 2.60800437377108 1.55640637839612 1.39864705242334 1.07939151923624 0.613669958215939 0.16106700537945 0.816077095229307 0.288820674784633 1.08141429819188 3.02749686965188 2.27349925130128 1.0084286463972 2.9721190127396 2.13166126958384 0.593939898518412 1.09418575783278 0.727933525412175 0.503047693701373 0.383972136745869 1.33127889523207 0.458528222425135 2.02495201535509 0.657694705248345 0.703619602140719 0.871374101095667 1.67891254441548 4.86300767093083 0.409409558938008 0.247675006447044 21.9066275616106 1.43251883168135 0.639787551102971 1.01849024347286 1.20436048626043 9.37367580113167 1.31288362919606 2.56868912502337 3.0375169892393 1.03716142497414 0.158981409068422 0.317566377506458 2.41240164876021 5.19049558384975 1.49852634692132 0.752328600291064 0.976437480501072 1.3241787307047 0.636008891811683 0.271645989036718 22.6305891666812 15.719356101068 3.05315340118409 0.382456705617435 0.661185426614 3.10540511784115 4.9640771890045 1.33089597986959 2.02140779404083 2.54927826164841 5.51128518297884 0.735413599686935 3.91441871704719 13.6943394649885 1.29720573976303 11.5996373424832 1.27554577461614 1.62175175663174 0.446476307036806 0.445330266002947 0.578041697499268 3.33080340692482 N-methylhydroxyproline** 2.59722099267245 0.188785072731734 0.802172466909654 1.64518144360666 6.32127671952185 0.382269695490405 0.218354550444282 4.59152993370549 0.334013309489904 0.183039632534646 0.562830555674998 0.170781091519816 0.590572571119267 0.510743454649848 0.305360724610921 0.585043391162924 0.0981695025002719 0.635949281282487 3.58756263326563 0.568450792574812 0.436430871339068 0.447259059533535 1121.65705931601 0.718301433893924 0.319922247487714 0.82360246561968 35.9724489512011 6.3598633639976 0.763515000366757 0.380879812422696 0.421268625571319 6.13898451273153 2.41699653730679 0.447033946534398 0.299598843576818 0.917267178777662 0.292082851701121 0.472307307066778 0.688944422382808 2.26833469497189 2.27814228659161 0.894973403784428 0.435702415791298 0.22543802183849 2.55501989341279 490.252636224982 0.282334700030605 0.693875408807736 0.49921589854233 0.393114324521888 1.37204728890598 0.749459349398139 1.76854716117332 4.91760611295614 0.615102299946631 0.676664381811881 2.54131582342035 0.63587213581649 0.845334722794841 0.717425010813012 4.0994771813829 1.42145959221666 2.07219550937507 1.26890759490789 2.51619801849974 0.321174280460445 6.50859855775919 0.733567383402849 5.61466598542583 0.11809200292394 3.39654034202 3.26891518298652 0.66120493629808 0.728664219932871 0.532542739852842 0.533219343530025 1.06417111623166 1.17678705574961 1.3162357059569 0.313450881102396 0.211584719633142 0.529617535543825 0.799777163424449 0.852247462420041 1.10829452874238 1.41154703217598 1.11178757426832 5.92421532943643 1.24412113608713 1.58870843313765 1.07788403898249 5.56266488262507 5.7977814987467 0.351687209281738 0.745469284722415 8.94770928553181 1.05856605548909 3.6448033043553 0.745293494234325 1.55841049987733 2.34801584390816 0.703738646337361 0.817973375961473 1.14664973682014 0.524178147851183 1.99571526493777 1.05495665942427 1.02856152793551 1.76278528013922 3.43399509810121 3.50939151197525 3.20079320715202 1249.35557357022 0.265045262888984 0.832343932192929 4.3892595805816 3.80279974807579 2.00137976562955 5.80264672182357 1.48230965937115 1.02022855292811 0.218821217279573 0.771835328576451 0.934934755170643 0.614574928482359 2.64763998108039 0.771006963326816 1.19655526524129 0.763240564856573 33.9086028576704 6.74795058643201 0.672340441676763 2.26040009409218 3.48169755436226 1.13529797120071 1.86217899265727 0.823923694281371 0.42530927743786 0.808014022769295 1.89331161456608 6.01586793707965 0.503966035760085 1.19765680132134 657.373430848575 161.950234851033 1.18048118535906 0.543042111306996 1.99092592264713 0.147341516654568 1.38045488001983 3.8025898112339 2.84703445240631 13.0560885478188 0.979771447071887 66.9509152487499 1.28648664371694 0.970440639725615 0.94918896086322 0.85041494143268 0.909084700662945 14.8206734672714 3.28513090700304 0.548735699633496 1.80613217927089 8.61609001484734 1.76300912845858 0.529799649430768 0.932326985484006 0.621741868741416 0.345238607132288 0.519025842466429 4.74903694635481 0.290613293807875 0.666481180300336 3.63624268698923 2.42519672093829 4.46088345470043 1.99316567052057 0.311929471338562 0.615052977435584 1.72323115563908 0.88463844070043 N,N,N-trimethyl-alanylproline betaine (TMAP) 1.18892994019744 0.668891403726801 1.77817378594726 0.502781658509347 1.52115010896835 2.12199371292884 0.624477144053169 0.722805878040624 0.242989522730941 0.500672048736356 0.421047678207486 1.15053898275245 1.28008130980769 0.665585854681668 0.725234298140244 0.344855363856621 1.60187564662443 3.20063367111783 2.41968984189967 0.530372719662801 2.23808348292287 0.738055071275117 0.431452752573841 0.518685957266827 3.09144847571598 0.702573238760943 0.974224267226397 0.566434650949885 1.76135774539054 4.51094293912996 1.16721756914943 0.201028427234297 0.6633669214441 0.507364101672219 6.96652622681609 0.675008663084739 1.28791317983612 1.71761669876133 0.869567002590297 1.77822420554844 0.432018130443112 0.431404213583282 0.801964697460803 0.474487762795782 2.02245534386292 0.522131172657009 0.58377568560394 5.33829685705518 0.89022079740614 1.84872987228386 1.0719663215693 0.690998753628471 1.49274779845672 0.160158073245517 0.492205134719023 3.84854440054109 0.326271103836582 0.758018780704101 0.482335505380392 3.63769404010093 1.60826166118685 2.10284401682413 0.140704626885814 0.591414763935453 2.17323966910345 0.734440788230279 2.55298236471686 0.775322456256073 0.844594677813205 0.410925477546393 4.60909609039983 0.818472614013994 0.49680449578422 0.363918481001588 0.87738814832906 4.19660489187271 7.67839845741129 2.5558762397432 0.60754560919916 0.604339522435561 1.21822304508766 0.767421676908249 0.382828866240195 0.671914261306194 0.558056591355222 0.521338683845212 1.96725454453608 0.952472899451708 0.397217076444635 0.935122297222729 0.30057991248362 2.21015885763479 0.783484999897819 0.372516101254121 0.486930414232814 0.37997697717492 1.58416133986871 0.368684697536128 0.870598045467961 0.538690275736041 1.35809580170712 1.06738105116273 3.95345201925213 2.97311626864821 3.60042745241788 2.46876344728351 1.03990236598585 0.812511245380804 0.640301462440275 1.91699409160738 1.80815055987449 0.795324129721109 3.25484381640115 0.686590511200135 0.462250338371968 2.39032788337436 0.975967165520529 1.40657979136521 0.531187165805937 0.525471888867747 0.336058687423586 0.669696763204865 5.24098111157716 3.3307071529787 0.941695279410673 0.469382087184289 0.114182423310913 0.718802794568155 0.66370581355365 0.680146926666376 0.418515252493795 0.368169230516042 1.40267720539601 1.02951654573125 1.72078095649233 0.485625105936214 3.46783847033896 6.78141459693318 0.685553793586233 1.44671343702266 1.40284636670153 0.948020208297648 1.00932890948918 1.16646786612772 1.44391954062317 0.627903819103057 3.20678094684376 1.14408424111016 0.404770909708462 2.86405430006783 0.81417432023304 0.337706666768721 2.18386803750678 0.491613726971309 0.467508973689225 1.58596970011793 7.53979536101298 0.594033125708352 0.602164179879298 0.6573365194674 0.744677098674516 4.90486813449364 0.726307904070796 1.54374422822754 1.45566850238056 1.53874132052003 0.759388665069226 2.13938783749931 5.57988433267641 1.03343718100649 0.835458904251158 1.91970084207973 0.75273198938064 0.78755515004562 1.32996284120953 1.05589160607848 2.01711486022019 6.1593202903191 1.22983191527446 5.4050952074696 2.15632995743224 5.35078605044134 0.53227066582389 2.34018312723132 0.6592659044772 0.295321869444811 1.54509304874121 1.29268796415932 0.687266617296968 0.637472044520548 0.548579802086968 2.43207224798794 0.593720131859811 0.612703385065211 1.85212695872241 0.919768093525687 2.53711087919782 2.79966441958755 4.39351755592542 1.23792139352326 3.90304654922352 0.530625802268367 3.46294420016671 2.62691585562359 2.19127436306388 2.87068639620084 1.00200293890591 4.88453771864801 4.67918842777413 1.21909834910685 1.04168570626732 4.0222753291814 1.26350099607314 0.506138778808202 0.750628196085737 0.673625806809168 0.38726180212381 2.94355150790777 2.57592429822888 0.419861807668954 0.268548038649419 1.97480926115537 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1.18639522068042 1.21133137403974 1.11543018744576 1.66919222515014 1.35214757880581 1.45260670359529 0.772360050762518 0.426755448606611 1.30918904791728 1.95962644819408 1.52990680238966 0.595773255386197 0.986832053594208 0.665532916754669 1.1590113534829 0.769475650426785 0.559717885148889 0.723927381927182 0.382964175235373 3.11597156156969 0.677878735856647 0.70296899233035 0.427984613115163 0.401073670439692 0.884124341081072 1.73684898297435 1.34824485337693 0.861559765104393 0.658627925900195 0.692869198667466 0.932191701345968 1.63781265819819 1.47760984239388 0.561523929724587 2.19483648415026 0.878519526621588 0.989357368050581 1.71490704214629 1.62939884777724 1.58599521145619 1.04179159329077 1.01709190219247 1.51734099285599 0.507845166268475 1.10513419599354 1.92785778002933 2.30881275812729 2.61217114450297 0.777380298301169 1.39569140869647 1.84050144640964 1.20388317885808 1.37234350572506 1.77023738102306 1.35833769226743 1.00018338636652 1.35715355075904 1.69394242985838 1.06581118085812 3.45577332127351 0.570535118489189 1.87255709044535 2.52115879685366 4.54450011109334 2.51556166924786 1.01719695585952 0.714069175094448 3.52828268001788 0.958197059449028 1.26987628192012 1.06208086057621 N,N-dimethylalanine 2.1610264499881 0.471420347697728 4.36259298579949 1.56295137869538 0.432254232278169 1.65694906839407 0.265823478552945 0.389189055224583 0.259126304732894 3.74692760753651 0.712695111756242 0.370818976225819 3.7008287747565 0.644863407918091 0.434040554996193 0.920983705585485 0.62887999550271 0.568412100046968 0.443541986492414 0.738096739686507 0.311086726164414 0.404528500869134 0.265258093459405 1.3612527652187 2.29687734548676 0.282254504291668 0.418018758453827 1.47755928937179 1.41120804418466 1.41612091020149 10.8813315927156 0.46931284756021 0.480439912318968 0.768624109382471 0.996568297854378 1.3685595515122 1.57768977525439 2.33502371252485 1.69752088912549 1.33952362175294 0.565417130684755 0.381285954895326 0.630369521270347 0.349431763802015 0.657784653562601 1.49878490562844 0.830648728014509 9.08243631005428 1.29585679113937 2.65982687046052 1.36076737224282 6.79014460842045 1.150165454729 0.670502191320593 0.833207266830533 3.85833244844992 3.54216209223917 0.74004486006316 0.604047379512628 0.670915551092295 0.441966323116977 3.96351664289403 1.28686805471461 1.93328355150495 0.966729122309157 1.66312921507583 0.864125731489633 1.99036407294072 2.54254250815386 3.95557324426873 0.738273649206154 4.70902161983434 0.904826809005621 0.65559726205317 1.55514438980219 0.965442699953597 0.490252547406412 0.968770633986898 1.46366443689478 1.48530311068592 0.782604897975797 0.576752235396855 0.790350834950471 0.754337960450849 3.08038955959806 1.40645224077668 0.693715823266987 1.26210132643856 0.634821274034659 0.486886229246126 0.272895628017713 0.453912249251409 1.75305919477154 1.77589110110863 0.489296168095476 0.400826397157036 1.97828072961677 0.686778773839716 1.25008427381161 1.30624357619975 0.678283490050049 1.01790292100184 1.01623789615492 0.359136197964573 2.56317987003397 11.4175039477218 1.32461053208057 5.87468378430821 2.47493647477357 0.354594882237297 1.49660768943876 1.46417914688104 1.16992028392568 3.28708284463254 1.70265227265263 0.45982965104295 0.63562794517578 0.428406147988642 1.06678334366649 1.00903024366969 13.229976633033 0.418329458316349 1.20446650194067 0.871820086645366 0.891501975926201 0.274748845907174 1.89106363121095 0.45042312203392 1.11372783618904 0.77517389218473 0.62764535645757 1.97928365345964 1.05081302819732 0.746222488101424 0.494899041686371 0.861429070263907 0.54229648705649 1.18602438973772 2.15613403535652 9.84665198734069 2.1823026406063 0.821635611120637 0.549806477507808 0.733521069661851 1.60829905123707 1.10395630536356 0.780758933779624 0.384242943113515 2.08255911911149 1.59741589191513 1.44147196377022 2.35241947947094 1.10915720345139 2.70861259212946 5.00812121485661 1.74515166162972 1.15185334885892 0.927721177701583 0.597439164181101 1.00846778020262 0.347816305859231 1.42836333104909 1.62510192950256 1.64857326905218 3.46352832939988 1.00009248458943 2.10583742982304 0.891790310234417 0.807186959310206 0.910995369927276 0.578097694756124 1.51775613445849 2.2444346541973 0.630781571347428 1.16213586207828 0.643075876251187 1.04520511731942 1.40101035887849 0.281014626468042 0.822736661314381 2.06350094670772 5.38931881573785 1.17155730145684 0.377798439609679 5.26943198947247 3.93302513868155 0.663392765931982 3.66697881055146 0.99173431575206 2.0224271099533 1.44496542305453 0.69310107276079 0.545045737558556 1.33578011154165 2.72284625253048 0.80804773091377 0.767072222001701 0.628576549333476 0.764499780273541 3.60569356490615 1.20732254292726 0.782636733629674 0.265807459980266 3.34808005820686 4.26162580654521 0.337150958827432 4.37820424345087 1 0.692345681201389 0.833622641517037 0.786283930913407 0.384626482146142 0.303790518173625 1.54354573423395 0.60343152080329 3.50342334024919 1.08418233447626 9.09988184539599 1.0847140704926 2.32561013131401 0.960758526766833 1.65867796604022 1.67639591786321 2.93270345753335 1.38926753615614 0.904891790007997 1.96191821098133 0.651392840080846 0.62906849078247 1.18016763688173 0.687065697707571 2.32912021364545 3.14433217563045 4.19601332987037 0.53508571145332 0.883877437568369 0.632453849887638 0.841225519540745 3.71590335985028 0.552372874491562 7.62306918270421 1.61284540425135 0.649641778371864 0.318116663164073 0.254559701824848 1.45759289412086 0.634748233373074 1.18555682875783 0.342484539054993 1.8985136779469 0.973539232103879 0.770417484302303 0.22937880781118 0.44599907434814 0.698008800744874 0.673960691833087 2.48704399707515 0.54475800772478 0.600518155490572 0.327694762168524 2.81464990150089 0.664117430040647 3.68005339121243 0.415219739556142 0.344580654923878 2.20706906664512 0.814846657931339 2.44470791694279 1.89578165496639 3.06515972531875 0.470013131199767 1.20533160561105 1.32561849321044 0.924978274181144 0.843233180649806 4.70074273789444 1.00701401917272 0.900217792140986 0.90370238580017 1.42472600684789 0.475370185184775 4.32553165038246 1.47396256570385 0.667486669827396 0.885234281196271 N6,N6-dimethyllysine 2.12806944870092 0.451529778298702 1.42346491952562 1.08221565176863 1.77010283220258 0.628186421199265 1.07388987085672 0.74592199043849 0.844104401544174 0.785982397247829 0.631451951064446 0.868216847034172 0.580390546125016 0.371298413165068 0.749247531408389 0.72797047748583 0.949740945578796 4.27169334153444 0.415011779893113 0.48323262493672 2.80194815298621 0.523344669970363 1.05180716068477 0.881370429153337 3.32170442925169 1.94196443627238 0.842601641555638 0.700971329909778 0.78203872141774 0.621140167158987 1.22038305641144 0.296623560191763 0.980712721782763 0.670725569279574 3.70208660659262 1.20338611736693 3.57213375135744 0.721078818605417 2.54398349248121 2.5169730554441 1.17359522042888 0.461914493105758 1.03240348550231 1.49867575973495 1.48332462421323 0.683811480173488 0.596409513075017 1.53803526961177 1.46886781390831 0.772742816962628 1.18446580807912 1.68177852924334 1.92691054619793 0.724408357584749 0.603832276376657 1.01777648943926 0.718541983308024 1.25150044044669 1.0630692009759 1.37628593402994 0.842292721593104 1.19938940237071 0.698577185863014 0.473651591952261 0.710676604314446 0.487117092541036 1.15449263304293 0.655432003455165 0.907918489845333 0.682329537688991 1.04088884270059 0.531372550023608 1.07160106780442 0.451691050462027 3.01008644937581 0.903723308089823 1.25419382075281 2.18624727766178 1.06170038249603 1.86151363121521 1.643364974615 0.670516107994346 0.300919839153035 0.637918026756228 0.487862541062291 0.6511175122501 1.61936810272967 1.1842997514127 0.491563812992535 0.591591272681305 0.87679638684813 1.12143129065432 0.759276595421333 1.73776254064651 0.793631351210239 1.14703827072001 3.716685379003 0.774501457747564 1.38680908810628 0.808967658049434 1.82582791514643 3.3015161119473 2.10374393716309 3.99442002411218 0.579231991809324 2.41155541061861 1.15592079083084 0.292963333399352 1.5974729876807 1.05140846574811 0.685278888910577 0.903536311029732 0.772671164113228 1.7469525879707 1.22630217491918 0.758076307785855 0.967978398132389 1.31925195359188 0.493701093125826 0.929334974346891 0.47854452466566 0.511478635319624 4.36511407424873 1.51496800046092 0.950875397140895 0.448954224573884 1.16288455315598 0.485109968915682 0.673557388854979 1.78541574085542 1.87136884735893 0.964031592712948 1.13359454617442 2.0267592997806 1.89367263598286 0.585035200814054 0.739240407291476 1.06897003350606 1.45942652282326 0.581445586405474 3.94528328385353 0.708979244493782 0.259564257525306 1.48774629156463 2.24694985777266 0.568960990877145 0.388127665207345 0.921063568001809 1.05775905795428 0.976285991378432 3.28976936216818 1.06353178213708 1.86564363230873 1.07168598454167 0.28142809306604 1.44213863028074 1.5820097850052 1.32273734120534 1.20752552361379 0.593077106670886 0.824294133717891 3.34366044021074 0.674628183586545 0.877079352519914 3.4945874100348 0.894128855557306 0.909211534576729 0.724899383599932 1.4421076784782 0.852012308543838 0.541719791684865 0.628284798447789 1.8859579688367 0.904357434987748 0.776873178532402 1.00330394926116 0.983021891743777 1.45987540588654 0.923270788722263 5.1264573128416 0.894840665089351 3.53507834019607 1.28761825285472 4.45134971221398 2.74029640611108 0.362866742351662 0.850548889623541 2.88902560133124 0.679525212621085 0.303366883091015 2.53578229708049 0.410184191694557 1.39016631821652 0.598353471428375 1.20341701182098 0.44373754321542 2.08303468250654 1.59702679999673 3.17831935194069 4.59663875139871 6.47605442019984 1.75498893102342 1.30008601250316 3.1736437044859 1.1786484749591 1.0851177232516 0.661447836105044 1.10126889487011 0.825658208657874 1.53414824590306 0.543557810980873 0.874751912966612 1.21938063747236 0.305355663390299 0.516962896567666 1.5529836548389 0.817249731214768 1.07122273977647 0.496988898785373 0.817754832189391 1.1591639547826 1.72670239983179 0.916657196313549 0.726929635054448 0.575658131851852 0.690404394353082 0.585721645925593 0.509678982167424 2.55865495820657 0.91661828945535 0.548681399345084 1.0779286632637 1.19051283011817 2.98572120352291 0.814476046628997 0.481150989229809 0.601198685973912 0.621025814258012 2.83939712229753 0.83675812475088 1.27730549402483 0.645787805198711 1.49724470994431 2.08156104736132 1.42085190084765 0.763592102514041 0.571819608585455 0.297164405664663 1.25679692633362 1.28794519663028 1.0983533301053 6.36863211773433 0.438409884324602 1.27502938956807 1.05157710309685 0.511862755545666 1.7466932007234 1.07296872292908 0.728536638223383 0.931968818721548 0.756717607219209 1.32311534972024 0.613440050145525 0.26770855502538 4.60930773872689 1.1720771647772 0.730909342125295 0.393206628249046 3.01508772159075 0.9596545588767 0.942931065653644 2.1379518234538 2.90017928573554 1.28163853337202 0.596431149843284 0.71653898877438 2.85532261939173 1.21075495669707 1.89201676370271 0.440299869550605 1.45086174615069 4.46366802168191 0.741400135264621 1.89572050981093 1.7380616458236 2.94123667156949 0.996696050738836 0.942622186654321 1.02415866428143 2.36542661535915 indoleacetoylcarnitine* 2.70591886488616 2.68432886792735 0.281971193395121 1.03065375737241 17.7084689822963 1.78441412111936 0.450872224908889 0.364041101012569 2.93924339038484 0.497749016596952 0.290469091978722 0.602465861331445 2.57771750781488 0.827177820210491 1.66131050608488 1.07393595540909 0.621510726446936 2.52417002776961 0.668858654196102 0.359441915654181 1.90888378145269 1.48100748333574 0.542389781582319 1.19822114977141 3.80744245409539 1.54050274455452 0.401550012713195 0.242146485923252 0.554424939799281 3.59770713783597 3.14848264274924 0.378334720982755 0.788604490001446 1.29180273109348 0.193803937600646 0.238950737614606 0.587691134166588 7.26732110539987 0.442947666505467 2.69862248789754 0.785655527248615 3.06968825250899 0.424742869393107 0.884172819687006 4.08860847845487 1.47761979070591 1.51669915594354 0.656479491871033 0.335346671386337 0.583338734364016 0.342259159732574 1.72194247653044 1.20981508532798 0.401532563229451 0.265920161133519 1.54653029479656 1.66169688751066 0.207484332856381 0.976699953634229 0.827282517112958 0.453469705203436 3.63821985352405 2.73689419131614 1.15054666739788 0.466748762333046 1.28143025939904 3.00107937520877 0.915267799719811 1.28318767169046 1.17297922514321 0.504287587434378 0.301322670867838 1.27812732140453 0.456884818450586 1.27454519167012 1 0.366598696772843 2.14996584886753 5.17280473030576 1.44651483953953 7.45800407819363 1.16259428953181 1.07418274096491 1.09862946769103 2.78513453551967 6.07800916347175 0.738853519062315 3.22589603099028 0.909915793777016 2.56234451263592 3.46636238090727 1.6558612815898 1.22351293006746 0.833519461159942 0.509425214005454 0.96107269454928 2.20853878023123 0.564974399114563 0.529604295564341 1.51305719940772 0.914018915240379 0.83831059083952 0.241807467381929 1.89652206861137 1.19839813739225 1.87565497883627 3.55254288833826 1.02814103171319 0.908676880431152 0.418191834638721 0.391314644105315 0.626364175711316 1.40121597973866 1.00350983901605 0.560634463228952 0.276220342109593 1.84855094501418 0.190550855273982 0.566068731023686 0.954234989704805 1.60588596014538 9.40816585983578 4.60741403636472 2.34229655148346 0.722505845577055 0.436453965769099 0.54879124933318 1.13335394034271 0.767769806410442 0.509352923287084 1.10855074559151 0.182461773166682 0.245848269260491 4.26635390544374 1.98931094481476 0.975859885631098 3.3832305475648 0.78399533350949 0.729523030825759 0.391364499773157 1.32044730505188 0.399852427223189 0.594970061671461 1.16789394702337 0.709680475024803 0.326826337752207 2.43112688766022 1.04506952372881 1.87213766147004 0.249824258770858 0.357973666236246 0.871332492434402 1.98306901520099 0.629190992077934 1.98448990173448 2.0965006306742 1.56646259079964 0.864200639149662 0.357500037391751 N-acetyl-isoputreanine 1.25259957663335 0.71111610150971 2.79898955040264 0.851223779662571 0.581131389083191 1.70243424392204 1.2714814751602 1.4229644491244 0.225813445113321 0.574827316339754 0.977034125849534 0.485624929577751 0.31216739680092 0.259910579361906 2.39346864570614 0.290749583543081 0.820141535660387 4.74487835463358 2.63223070130978 0.995861928972128 4.82157853800588 1.11360564225426 0.25876237219187 0.363318783118196 2.32779265597911 0.851877876731885 0.890116935137324 0.775885329971923 1.13635951851149 1.04369671872716 1.33574848300101 0.248854322630221 0.38952713478916 0.749260486641095 6.14200023404284 0.28785268747598 4.02564837201447 1.60954548654767 0.6320315766573 4.42219858604821 2.1947670794269 0.219681133489986 1.23496503070685 0.379737483669524 0.626319496123923 0.483245919312169 0.882316837692324 2.21555987726433 0.951737816125072 3.44400794037661 0.322206604346453 0.583373505887651 0.573330255714989 0.200112038884211 0.253174046581449 5.90426836616353 0.738042878554163 1.28412696441517 1.3196336364112 2.55801680942046 2.04731278552712 3.09108237260826 0.410666208906522 1.03435362630665 0.794666541816866 0.333186531224677 3.93421804290938 0.703853420808541 1.41989197670785 0.434672945843565 8.00804106328825 0.287460754775919 0.362621505737871 0.389374550881497 1.22581320508234 2.6687586167176 5.02039718887332 1.0972594057942 3.29981357046003 0.886234118112957 0.919631094609388 0.366026029440154 0.257672985246546 1.01551690413795 0.268146749941922 0.862154740219707 0.567180687127102 3.7796612826748 0.600975129669476 0.234024526138724 0.280797418812898 5.10160735233606 2.98173572646584 0.91064807393389 0.437213105333037 0.764492221334795 1.26685398095243 0.398973592132047 0.43487767964118 0.644948705188852 1.18406191222807 3.14179111652144 8.79542713684458 5.72052247367798 1.28500969731499 1.33509827696031 4.31588878667078 0.674051148354347 1.58371651016625 0.667197151989401 1.04139219386641 0.95405694497632 1.25416076343093 0.958194649641109 0.550325736575822 3.36180485715838 1.11023838652081 0.668367290411607 0.719254945841619 0.246763299014672 0.500380922857743 1.02545206456778 3.26023435589523 0.226493692926869 1.39160841819997 0.299666178801583 0.452261279488707 0.370060141784787 1.0106852319938 0.407898601108258 1.41587064917151 0.388804262525831 0.343144911494069 0.538068566922919 0.520564420987718 0.485658382317236 2.56642850581709 2.07318340096796 0.796571427719589 0.894698747658545 2.84578472805885 0.194625789608773 0.669838554022012 0.603533405181766 1.47791378256278 0.658974877940138 1.99783014515545 0.487807897694044 1.91642694624735 1.90789642187957 6.66898662088762 0.32601473383463 0.883709143741634 1.04404663337151 0.245347040399628 2.19285506839386 2.93775687026478 0.318240256539054 1.18389378947239 0.61892560690603 0.467568611309702 4.12209961874615 1.28695124479248 1.10687800325348 1.59229026537788 3.69841544302765 1.64218722449733 0.730895463258981 3.59710422576193 0.958887025336041 0.382197068547051 0.58291411184739 0.344537141744121 0.282539209977426 1.14645441324571 3.78090679082653 0.48164630229045 2.35600796988778 2.87053690017188 1.78311901745666 0.230134988246757 2.18531966196007 0.537334526902149 2.2592471842502 1.00413807102787 0.427726524915905 1.63876799573887 1.39661068920893 0.567207772728859 0.21374435868755 0.666322858073708 0.841690203705075 0.280487829374151 0.386799094203912 3.04338872107284 0.234105530279802 0.564060309579079 0.855104070044983 3.33609046398962 2.82307163180278 1.74217266219642 0.958947690009381 2.16461448806564 8.42006011209674 3.33164708618112 2.83691447141381 1.18742911742868 5.83518224358908 2.95540210388675 0.303070070843377 0.263010187913058 0.638737713935038 2.84367680120862 0.34526001400745 0.748735829439136 0.604020895480567 1.64093939183501 3.53326068311277 1.92985195507828 2.79755547896181 1.26788765544265 0.371664938422514 1.03961412012341 1.91350700720562 0.627670794774303 0.629581896216236 0.772764093365636 0.741541898665563 6.14470111322708 5.4314015635391 0.638869402513733 2.18962217947958 0.362550633431033 0.861144032904863 1.79415382299814 0.485514818521352 0.243039635167051 0.222353966948516 2.973304625459 1.11832374184253 3.6734938090387 0.230455821242204 1.08963291391793 1.51785880434982 1.12308065065124 1.39620839727685 1.59200366838092 0.363799603082235 1.28725325430536 5.03829581941696 3.46769788694533 1.48307371602973 0.941482403827448 4.52371324852415 1.35928450654184 1.46544260633629 0.401743549707328 3.24250993731439 0.920054382936111 0.213584927580188 0.353395523171979 2.88021024996233 0.280097816921975 0.427676623737293 1.94391946369195 1.49880484150584 2.52177374762665 0.274342758208943 3.45018239638775 2.62763064643364 1.27033026128624 0.511216098418364 0.767558427679302 0.538250434610841 1.23293853752683 0.879471131391231 1.9311615641364 1.1266323512474 2.69745116275873 0.356674017973546 1.76500423269377 3.15278976581655 1.19699634825702 9.50792531150369 1.89464299730381 0.539447633368385 3.04611468981168 0.161843747231353 0.256258747945066 2.40532928417063 N-acetyltheanine 1.65974748360141 3.54322252414136 0.573448525222422 0.442028787015529 0.315022790024981 0.846744386495449 0.360104308191261 2.22643113321938 0.466804721625688 0.463760573256782 2.47765554922499 0.629737878190238 0.246759543322961 0.636975719858001 3.97513367226191 2.08392043213393 1.57790152810039 2.75867408803378 1.495457517056 0.398981570758645 0.833803560210954 3.82445380637244 1.10638358095572 0.458368942747367 2.60975825773181 0.433132824940468 4.33652722385356 0.27371130443675 1.35835853384173 4.42555988955603 0.642460482681042 0.172635352295803 0.100521723568684 0.827622131159516 6.0445373332749 0.430796299542739 0.419350155585748 2.72534824180801 2.53023239251435 1.05278410834027 0.600479722721363 0.237246351404654 0.497191421600853 0.228775876174198 0.514563337277761 0.614468744065098 1.00424939007465 1.80917736775212 0.766120107814349 0.647803720909848 2.50833534206951 8.3581037895721 0.53141572073454 0.970519057427941 1.63794721771778 0.987715665220377 0.852659201472586 0.558456961914362 0.621733977589809 0.781942557449855 0.790156462286891 0.582999152678558 0.346860345356532 0.170937057164979 3.62618789352968 0.525870695826212 1.98984949087669 0.247261727367022 3.16966972725015 2.51720665147332 3.95525722779799 1.99290459598837 0.281060539656104 0.648999831996611 0.73856937809528 0.641961037822676 3.10363161239427 0.942159354866985 0.16871283838074 0.976031212107931 5.43558804838498 2.37347518662985 0.600823947057019 0.523535996552278 0.567522753502506 0.602862814275905 1.09492191494646 0.737888233919154 1.11293114782837 3.20548640633446 1 0.420283304845802 6.95927196096478 0.397992724722794 1.29146761917284 0.158794246979591 0.617324801682956 3.1282066733868 1.22493645089188 0.855935267563659 1.9805380856379 0.881348519378826 0.355456823128954 2.41772673153058 2.79434832946195 0.343213576134753 0.260907437436999 1.20656290631255 1.75779754861142 0.916331572949994 3.24495989832143 2.62794827686959 0.909626959430834 0.956157506829703 0.679385618909877 0.608098311200713 2.85871828022965 0.164048005142365 1.85949986121459 0.352924902484989 0.596953477670158 0.696488181326789 5.08164416882149 2.59946439789046 0.896490737900104 0.34672795138128 0.557341200274649 8.45649807891777 0.332190179836672 1.43120626433507 0.574333282201867 2.12352083972477 0.459909278169786 4.04565218185271 1.74597613621423 0.431698404698251 0.649018093234577 0.941997742910987 0.25714836160173 1.77743203167229 1.69443927042702 2.17642547223561 0.939700479174884 0.683742750288528 4.12209098479204 0.517969971220289 0.324859205855283 0.716905158434501 0.718425406495157 0.323783618939095 1.60504594527472 0.426617215234255 0.410226841098012 1.65220467925962 1.30461844969394 1.6480968137792 0.956851433872405 0.349403222743276 3.42877843274751 2.22880783334064 4.48106492235322 1.79053538297468 0.533493849615053 0.980478736614513 0.655843230924311 4.95182502812231 1.75211830360404 1.64982341382887 1.48451538326686 1.78150154855298 1.10037198141736 0.499238506376824 0.468459189785394 4.78231782589005 0.960022497845174 4.60304360053177 2.2615484068896 1.94785046967904 3.22463240127975 5.06673843333187 0.260931177046354 1.18354005054711 0.430262158332238 2.70062526478795 1.00700866313129 1.32404201545631 3.05252114651356 3.51845115484069 0.387281595593929 1.94946476311522 0.418221611079458 0.757616762355554 2.87360210223372 0.462992688200319 0.797628960862515 5.42303527340726 2.89523984309944 0.478028991541395 4.49517355480563 5.60608683583878 0.81252647879505 1.39543706446947 1.53997841521672 1.65725665074287 1.70758827482433 0.563104446976669 1.75841203926897 0.408534937400476 8.98537183532746 0.437955617887248 0.185236519554134 1.49897554455012 0.998424968225446 2.42799867788637 1.52177470015047 2.89057409679917 0.501974952886006 0.412066660823071 3.43099534703657 3.15442798498196 0.481223795123519 0.402301463820835 0.526631276387489 0.793849797665483 3.60256241691137 6.97624943390162 0.457268703159925 1.59152258549912 1.9938532673007 0.320360549882398 0.327378343632672 1.47876857167901 0.766903514923084 0.558559224846971 1.65013568099809 1.53401703408278 0.557159500956889 3.24349443397467 0.426472038392427 0.449801682955691 1.5291376312983 2.22157273085857 2.02821452571913 0.469843391623205 0.946670793706447 1.5768286803699 0.8864415786475 0.753526245051205 1.8303056200786 1.15394314911397 1.74329538648084 2.15478773136989 1.59039038874523 0.568305247549342 0.482232728521132 0.738804035003141 5.30116251040891 2.97803264378899 0.268048494543542 1.6886248922587 2.35643379936013 1.06553684387372 0.349888058611269 2.6278323180085 2.36300967115163 2.28137645907291 0.146425910505325 0.306240047625309 0.70089279192415 1.87837376371419 1.30542650947393 1.13327416692232 1.35926611736863 2.96483433404917 2.0572051540518 0.611161633869483 3.37400658865466 0.728142211216783 2.00103723831646 1.94151655929059 2.25324502198653 1.0161474996713 1.36858939241209 0.443817475274284 2.20183324567939 N2-acetyl,N6,N6-dimethyllysine 9.31505341273708 0.439196664852942 2.24190345773798 0.56522866484873 4.28933379979483 1.52780671225459 0.807714146497867 0.0540381956153146 0.457346018348363 0.315332184026958 0.666029099089637 0.274975104065402 0.142745905102462 0.0741234169726175 0.191735681645819 0.149806268431744 0.599336950779099 8.92205881152876 2.01926127977345 0.464565905191964 1.74685750522597 0.180023602109396 0.529065000040802 1.3521821158346 28.1291371804824 4.96580247566806 0.280776653128227 1.21043441727719 0.155375113226158 1.40348103473375 0.627220397529439 0.120601093025637 0.631720750666063 0.537181482742109 11.3337832107029 2.61399310784711 3.95095415331052 1.50365548396302 1.99474151531018 13.3369539379801 0.232665045633992 0.0352499583422506 2.66913375309603 0.746223886250784 2.01145226153538 0.774610911355731 0.33024394725405 0.686174339194901 0.585686897459812 1.64485906518694 0.962085261896282 2.00172474928353 2.09753230811835 0.200991467597905 0.367705649106708 0.752338954299672 0.473102519129002 1.09329387890375 0.688728558104861 4.51139527004883 1.8188786865792 0.339886169706169 1.51112465920276 0.23238153602191 2.56532027241141 0.459359015566178 3.76817626979796 0.223192876301097 2.90823923157049 0.308290247506261 1.99278406175824 0.710197106306628 0.300071101157125 0.182626520442043 5.29243108307779 0.230987942812663 4.74056185445296 18.9242979320119 1 0.703598729392576 2.20882891576922 0.679969506264194 0.0498279330938375 0.879555534847333 0.0657389558264647 0.328224895513414 1.14326396166381 0.338803199841635 0.0374969760290912 0.39471224300854 0.505750875339218 1.23994100262371 0.476188746326813 0.424458376866669 0.965171225853971 3.93406124492045 1.12924168681112 0.791687561351401 0.407993233675888 5.49391717886614 4.05863779027817 1.09153411868391 3.74278570700901 1.78970273082671 7.53193142173621 0.587153934663275 0.354554699059943 4.54844579082993 0.430396810793266 0.207022562047671 1.08492968724704 7.26767835110599 1.44236160084742 0.550272414040912 2.48249492670474 0.986821672980481 1.27299817074439 1.36465259016435 0.29569947244047 0.0410264995934256 0.676396284839501 8.15348978746782 3.13505692436032 0.464689364809481 0.0949591359195622 0.999309784398442 0.0762427631999785 0.419677409759312 2.38329078056751 4.39381143530887 0.520999322683164 0.571451924588023 0.91126807242157 1.00014135994586 0.651659084034934 2.6813788938808 2.68486392986441 1.31025270262053 1.41281658244299 10.9111098651079 0.669207986810617 0.0940254232045642 0.671678495361577 7.5289486479066 0.334238616115087 1.31903992115432 0.2865729373886 0.242657640689342 0.221680825036663 1.64193920574664 0.722371172258282 7.51877836576847 0.861151364913198 0.0449021839190294 0.915628908293196 1.13923770398806 1.63077729806653 0.739318834593859 0.577632276187325 1.60955066753747 6.8890192804963 1.72295424912993 0.285652649919857 6.24185001999309 0.583902129428324 0.573665510779288 0.345048308511106 1.84132174971498 1.21630730441325 0.572738115827233 0.666699834922119 0.88186704636422 0.531788219109496 1.68345243632682 1.11774204205366 0.169445297781175 8.91428691014799 0.258343329876991 21.2140966138633 1.24772185416866 20.8356170730173 0.943424432842575 25.3946756526315 2.03626395929465 0.168441299953433 1.58953046649045 15.0731460063973 0.435816135198021 1.92441665330723 1.77674473578984 0.404072798529435 0.163694817302142 1.9361571627769 0.0947214300888199 5.26147509761602 4.43219737323211 12.2233647721012 6.33830093768764 27.2622969332789 0.549653010032344 3.39609478013264 11.5062978883141 0.307577919734401 1.55320596196759 0.14592558254381 0.930677293143937 4.16171841046137 1.02290873491272 0.775409318647693 1.23165157116183 1.23263108765817 0.066606332030558 0.834471978483805 2.23329866460918 0.717459901290219 0.859284465963447 0.676578973484612 1.13977524031849 2.01664151407295 1.63428786834203 1.98432826253885 2.08375537305995 0.261096821559787 0.72678412967419 0.126407117170548 0.202941813666532 4.56881136291784 2.98083138074972 0.453578262473041 1.28051104384449 1.71500755630772 3.59354987992302 2.7946945532723 0.326260334478165 0.132474801997361 0.181239771475985 16.0202257915828 0.0937398076715016 2.91262402229328 0.0973877892910233 1.07327762645858 2.26569457354179 0.780310323250973 1.68241711292448 0.333879030107563 0.105249982033862 3.1438754684687 1.17668071579201 0.668978704663799 4.67429747134171 0.276513742582222 4.12099568996947 3.19400165262149 1.4557091912658 2.53964646325049 0.236410426098889 1.2661923606137 1.11238457907773 0.176984758133659 1.63305880020943 0.398367332111373 0.293122351639841 2.68112249800135 0.778418153249449 0.833580647428552 3.39643225396986 1.12829533857023 3.5039110901221 1.60099957539368 2.16632432288718 0.336937617092497 2.86741042530917 0.590418638664235 8.82198518326646 2.95526286763787 1.56607656128375 0.0672862812673327 5.38293909176366 6.25474141527893 2.0118176388256 2.09059856328806 0.708832732750994 2.87035555580125 1.11992061730862 0.875947302486329 0.208255842022232 3.64256413779778 N2-acetyl,N6-methyllysine 4.98856355362012 1.30428162592139 0.752324028379872 1.59867547185858 0.400533962981066 0.554808021607257 0.306369376368 0.130834190274265 0.274139100145722 0.47309495057939 0.0932592546191364 1.00838620914175 2.25675306795523 1.50059372403743 0.215541258219431 0.229042593126884 0.65281158166529 1.5332807814021 7.79761028932673 0.479982332308967 0.268849766556945 0.904574349932763 0.360080711718974 1.68075204739916 0.424618537449881 1.0513922222837 0.907568346850062 1.3973442680368 5.5188128445577 1.02683120542212 0.451737345813503 1.39834150494526 2.43944037680101 0.281389529149633 0.199427720442625 0.646930581611793 0.692498044162826 2.6110314246222 0.549429526534229 1.01575963527009 0.355932187890224 1.09462182499384 1.20880522239389 0.581797888747501 0.625633332312168 1.0138497505536 1.23871730002565 0.435511784633407 3.03143102353269 0.809323822165362 1.64004045645193 0.383553958472696 1.54829786154182 1.17149868566828 1.16209649284445 0.389481139602651 1.595421763541 1.57085160191181 1.39578234172808 1.00171967355009 0.948469691725311 0.232988103114571 2.53894230703283 5.07010927540062 12.7436803940298 0.911801459779254 1.8967926099304 0.931825757426809 1.50398963349143 0.355465347503456 0.494367966244834 0.892503713918748 1.14236025537678 0.529710664125031 0.233577940625767 0.251479737709775 0.67865743837684 2.43018815816607 1.60533286268263 0.782739982707244 1.14232047563765 1.86471916647272 0.797033711728576 0.712153807675478 0.210046624597687 0.963816440737562 2.10780949437208 0.991963578219541 2.44855908182875 0.346982661063363 0.360006181862908 0.935965593726324 3.39396116125746 0.726536240942679 1.19781732686554 0.884203465592583 1.05763306894286 1.4498919317087 0.702324096965629 0.053552216394465 0.921068310042372 3.05908708699372 5.29434903657587 0.535716490256479 1.51627928668984 0.724940478993783 0.121670218646821 2.42329894748297 1.19271911891993 0.502319341686469 0.852424940890508 1.10092851397984 1.08103498650918 1.22659362435947 1.2186097849928 0.503288687053707 1.59817068068621 0.526619732671008 0.235773142091857 0.260356106395713 6.32924638427319 0.780437787460055 1.39419983969222 0.242016274942925 0.293675981679372 0.32102340923338 0.70788182948392 5.76411483450485 2.03755573164314 0.604579333831114 1.51160813939186 1.01099429686568 0.849032232105176 1.58936747014119 1.40809760027581 0.429455205041693 0.373298558830348 3.16531910895213 0.399950984045581 0.83460544671504 0.397192922132761 0.931091432587288 1 1.1412587681175 1.19025048890214 0.691946157437234 0.545786251116233 1.27273080593294 1.54210502491263 0.319471542169038 2.41805167982523 0.581172843880985 1.60244082992424 1.58769443490594 6.14121212980266 0.899708876322962 5.95876487110679 1.05295597754594 0.460525010253571 1.84995311020405 1.41005046540009 0.183146833418456 1.17164408747336 2.69253005084948 0.612338211914443 1.09555687748252 0.165722393203975 1.64332708593292 2.77099307146682 3.04300144075814 0.546189078129694 2.09521806384237 1.44479280928633 10.3432136450907 0.167108282736096 0.912382152522836 0.964917927996843 1.55583040662666 1.03929186577493 1.19949127657755 1.64193022267966 0.486047142191534 1.1976518065717 2.94368834997757 0.358211063979995 0.895314358245357 0.85845682960966 0.808167009062007 1.15761921461992 0.228754990185378 1.3337693863358 0.72540046080484 0.850444184225002 4.09806117209401 0.997008746512986 0.663021714707941 1.27066180225995 3.12945607379462 2.07594272266252 1.35365331180045 0.621615578660319 0.216046506630185 0.85993050891089 3.80558086878036 4.04219121434741 1.3292820488669 0.337175812272553 0.48365944336714 2.98615299287668 0.22419906695936 1.1514748452591 0.28839533561983 1.29166138937369 0.538630013218762 5.60430041841884 1.92504994186214 1.31874041799818 1.35550146933554 1.88243441029737 0.45345793384035 0.973031623063653 0.513366220965934 0.577652565587416 0.759113103857583 1.02141247337158 2.50941751030958 0.61955069013275 1.58545625303206 2.37924540121068 0.6957256898927 2.57066733484435 1.17452011688842 0.376322733480778 1.44925134073724 0.296747251883022 2.16122591096746 0.275087869785825 0.978871928901261 1.77825310247672 1.07750236277933 0.986783067365388 0.276369966205511 1.20965797197403 ranitidine N-oxide* 0.332027156297029 0.124884358011864 0.213530356068704 0.460640523649395 0.0401688766303179 20.2001387329309 0.376291351140389 17.0280574618016 31.2144599865612 21.0911442395495 8.85924600300089 1 1.14503733878477 13.7862531546385 0.760902932643364 2.45539309286791 0.262053921564955 0.240441698085081 44.7538149683244 14.3368970417375 0.123168174725587 0.870803085384426 0.235095386380951 19.6051789632335 107.861444605334 3-hydroxyhexanoylcarnitine (1) 2.06858726970178 1.0786323824132 2.14728649444798 0.432083498973325 1.26952147925601 1.49619907523046 0.22449290709033 0.968729808045237 0.215579716518148 0.347076761969761 0.711486503125759 0.626075780442872 0.789507923161807 0.149729464452192 0.762580430675706 0.357136239919414 0.958285986680786 2.41006481360957 1.78738216107126 0.611685036581519 0.970986616288656 1.01679325666401 0.579072427772169 0.356383677336814 2.33916649956083 0.872008952181933 1.83849367870884 0.611267565168343 1.78646044047925 2.75953529333817 1.86934141539227 0.232052247250962 0.365029498576962 0.769069120835693 3.29189489805372 0.569593422714432 1.94729980428096 1.75873025366079 1.37475945555161 1.14353364925131 2.35952526698821 0.464085731741782 0.359300993370882 0.412364424399562 0.63304174831399 0.280519095212799 0.369886414940786 3.89351430015491 1.67804510802073 1.57525860360503 1.50947636654459 0.889548614897866 0.369847423579864 0.232484083902373 0.261560791929199 4.64530321206727 0.213421705933606 0.480729472660899 0.386426374342864 2.04240589009948 1.29340500707708 0.4577456778223 0.116912224290035 0.889099481326949 1.5935297207984 0.500614480394675 1.38588899716565 0.588993237197641 3.91542861766537 0.79584680440878 1.63645627749184 0.92937960933588 0.254314262160321 0.272051520194007 1.19304417574608 2.08992258016096 2.32274498008216 1.78113357560747 0.901440686810835 0.796009219551265 1.27205386553903 0.560245756977695 0.174828760496885 2.61391428702098 0.536324117300086 0.299845910832328 1.10640097425632 0.772926627053789 0.328172694789699 0.362040942687977 0.231300564172744 1.10056575585193 0.502739656148967 0.336453521711445 1.03520743990347 0.21200922189661 3.91816710114183 0.294360735171849 0.636472988075093 1.0201350801463 2.34765225100351 2.44011073546502 6.40867109233272 1.29001451768566 1.96008603898198 1.3923137766739 1.62176943382199 0.666771620856215 1.29869376009231 2.63968317906827 2.00715799299446 1.61837806492619 2.75961972575881 1.06480305551549 0.661606584790672 1.76502838453808 0.776210110078768 1.25313132876695 1.10293455431995 0.354866532278397 0.32799796658587 0.309977508141279 7.25523334423919 0.907699239990947 2.04258530899334 0.252352381052896 0.268152384101844 0.695928070613648 0.309653557360689 1.54203620509104 0.579614495639417 0.566551803394418 0.297339030176382 0.324331899154855 3.84597298397074 0.375711372460724 2.55596931350579 3.67739896546831 0.461324674319528 1.08160627989582 1.24807417857222 0.516551979295294 0.678766594781842 2.28531356676552 2.00675547315577 0.682527062349825 4.85023242369127 2.26503014354684 1.57401439807307 4.21167149221404 2.11472079253899 0.334560828282046 2.52650943473667 0.412897990391122 0.166771327688088 2.33914744363256 7.02197236479965 0.561975155760226 0.562531295697582 0.417267368159362 0.651971027952995 2.00371150849073 0.626548367463967 1.94547336684831 1.04103093158277 2.00283376311781 1.62372427889436 1.96161901511927 7.33644238132261 1.39117188681834 0.6057870801979 0.859571001216061 1.21119362816666 0.504179111653668 0.795555981626567 1.57371419391078 2.41508561095651 2.29475358046234 2.98674440312728 6.98048438410654 1.72348939259082 4.88941962092189 0.354735192957398 3.48688864184588 0.468519313329886 0.838583974492028 0.679302799286546 1.29852225673788 0.823925861298641 0.387618689116309 0.818752909693663 0.929217487361522 0.753104943635496 0.81767463732171 4.58640368312982 0.431886196823699 2.55488605727567 0.915674292555992 3.5417418642913 3.21647739732373 1.82253741704808 0.422218977828281 2.6389977519868 2.6575511900867 0.989715368928635 4.07154680194617 1.18160035789965 1.87051291522868 2.92395336046898 0.936736663488724 0.807105046830677 7.37186148861394 1.97735305533959 0.163501037228834 0.409983899206453 1.5001712101863 1.03637981924426 4.37059382963179 2.99967458337877 0.580021999336267 1.7498126655667 1.09340248583118 4.44817256579572 2.32929464921261 0.400563820942289 0.618351972962863 0.58832334802692 0.603197819298202 1.98624631047912 2.43412717398825 0.684481321085942 4.16929462575916 2.76681641694606 0.866145003301073 1.28877412333935 0.481473826535937 0.647838823199684 0.174342101405683 2.05209451036818 1.31446825751419 1.32887864364007 0.647433664847852 0.97085703597642 1.73774557228178 1.24909821484064 2.24859836318371 1.02890872268992 0.283476282112171 0.876390056675262 1.97339030176382 0.973452160238662 1.29872014522376 1.604600628787 3.0584026089618 0.981143426056549 5.44405443311252 0.717159013219537 0.657222548616071 0.347038943281349 0.414822932314515 0.748261513005525 3.23566231956968 0.831804754717955 0.719929452021863 0.482086547921848 1.18043442825766 1.79432877984598 0.271343812334873 1.08897271542874 0.949034773257907 1.92902927342384 0.27510809108851 0.6330989160988 2.21183126884338 2.45297641872852 1.01028463107136 0.957985489350375 3.9030358145911 3.7590404255394 0.379259586304592 0.517475165727942 2.34810343675132 0.790963209745378 2.56301824795691 1.5406178576915 1.41512753399871 0.373951484192961 0.560339570778408 0.27019254109924 0.843513889719532 N,N-dimethyl-5-aminovalerate 1.16888747031816 0.687648263049779 10.6322047511987 0.179215756423612 17.5884258658445 0.637453073173697 0.249015281981852 1.89495288903231 0.418378597041345 4.85808485936859 15.701775123024 0.409635680639199 0.815122041900059 0.44448458531943 1.37754714311937 0.447302240913061 1.84653831719319 0.355502787842225 9.05537336274919 0.40554481884579 1.57427679198804 1.15142502054784 5.24329462272059 9.64767496647458 1.0353808687031 0.96786820386732 0.818948675409583 4.29729890883072 0.334400768834157 0.467895678932237 0.149278458029208 1.66318025630144 0.324095865762679 6.26710322791092 0.369580543445093 0.7895795847407 0.116917508163602 1.34481323386191 0.743119834541652 2.99070875145121 0.770670894319209 44.9940981222255 0.532578996657395 0.705107205365003 0.26947426755569 0.328521104941887 0.396068844328621 4.60730883492864 1.45940413014529 0.632428059173106 14.8481119953795 0.209980814220626 1.07475672876031 0.212616082149275 1.02053147297915 0.487903371950414 12.9256115540248 4.2722252815025 1.03712875049251 8.89183008484534 1.12591529963604 1.18828954275646 0.720146003664121 0.362567971556878 0.555626484091937 0.145949883143288 17.0047011589801 0.178276927609634 0.501631551195399 0.34203416027433 2.32678842212456 1.2219622808279 4.30753132449688 0.979249895653211 0.283331053487521 0.44164939245032 0.484614548222247 0.194336395341632 1.2714700095052 4.80179488168769 0.30844677027689 6.20747532213052 1.71640939483539 0.867003148525524 4.43412239381472 1.52385712498582 0.190319190105235 0.916204559457794 0.660011855198224 0.992683448670148 0.38531381785318 1.23287163532756 0.819356709352395 10.4397787497326 1.18958145538342 0.622914671801581 0.178702498827925 0.142567527279232 1.16278683675486 1.13366209879098 1.31143862947361 1.01859535776627 1.73565830840117 0.325580688419903 0.238215827741865 1.06814517590472 0.52430374093469 12.2258263271918 1.63851583206773 0.266854198599123 1.01711404256414 0.316642523684091 0.359075715433153 0.93536812494958 0.557280833745459 0.939228663858364 1.21065892220582 2.95064776849861 0.627801725901738 0.377229133857347 0.249083092780371 3.97087292373273 0.172964302291187 0.932828727460217 0.83124581297548 1.53756425950023 1.44477687324408 0.994098122225457 1.4170820078076 1.29229026295391 8.13024466837597 0.458848783088455 7.98125148336122 1.00590187777454 40.9135353861299 1.09625158273911 0.27031839508208 0.19669691262111 0.242081043257444 2.12657236289066 3.5814191397148 3.87473591786008 2.83422130404842 0.697283242197958 0.304175859121897 3.31333850098384 0.839788804437165 0.882412567913099 10.8408842995788 27.9450697457446 0.616441078846421 0.6629592866304 1.59779194010202 0.533274641918064 1.42688651395207 4.0715883276571 1.39128350642624 0.665489330906175 2.09819588201389 6.65689840422485 0.163517556566482 2.17576792806443 0.660866505089902 3.53110937297225 0.521497776858045 0.238422767592518 0.901444019262943 0.822858318689708 1.08088542196439 1.53498511085312 1.7253510670263 1.65184182312839 4.63061821234367 1.36245222553872 0.278097930484578 1.28311125296818 1.74716977602561 0.278829819447903 0.288857633566813 0.191155133569736 15.3947360113922 2.55266736114278 11.0823936276556 0.322766540281368 0.614218521467379 0.14943512435682 0.602123647145341 0.509059171936618 0.81410020331548 2.20984168516849 0.383257280015339 0.644411864083777 0.830623824271823 1.23554080865546 1.40515198387506 1.79619581420309 0.541210843648174 5.54589329620108 1.79667399724782 3.80594653936943 3.15629453737252 1.24802501049314 3.40756628213267 0.385988418383274 1.42245893646947 3.04703848028986 0.357175843922925 1.35185386539089 dimethylguanidino valeric acid (DMGV)* 0.647649131456264 0.0658162718586578 2.65421696799817 1.49185441383198 0.0522282520994095 2.79184149569191 0.871552942561714 0.136305267932814 3.02648591435654 2.03731656770524 0.423626897007693 0.964090874244659 0.113433976233164 0.793027423305426 1.91414426216455 2.60080634606808 4.98537742781619 2.30228380010174 2.33345184138557 1.10924841413948 0.0903349864317175 5.16957451882046 1.60096551449564 1.16489789798566 0.587776389960106 1.33836945965326 4.57465139022482 0.635771558152172 0.628636339956316 0.836569094472264 0.507586675425589 8.81777265005267 1.91682513624402 3.23348737685942 0.409191277841239 3.72718667051246 1.29018183235134 0.470635881680002 0.334690119232315 1.09642887547379 0.0672632729653824 0.517959645424585 3.0453887534249 0.596354204388695 4.96509789620677 0.574230724758484 0.481046293107939 0.268803369389768 13.510154293418 0.128625539544121 0.756267902742076 0.206949789942572 2.43215574956767 1.58117848168229 1.47850256308606 0.543183648091228 0.198309290768697 0.200979491499652 4.82783287399816 0.505213634270936 0.0637854555296205 2.39559868378977 0.717382861058839 0.428918675437448 0.182523577723366 0.492201805913628 3.57706670122799 2.48679312890483 2.50657236847957 0.721205444593674 2.94741774850796 0.158206301426374 0.80038762891139 0.697985659593879 5.60168418662943 0.238479539148529 0.270829950263043 2.76403708395648 2.77758681519563 0.326455546138726 0.264986884911231 2.92323431261306 2.07290134225829 0.875432789458459 0.158319981059042 1.14731228565947 3.79328587081606 0.207676085896737 0.259530940216118 0.154595998934359 5.94895767551411 2.4631243855942 5.40805371913253 3.13628671663657 0.761128172938741 0.844770800429136 1.76328190219401 0.231456814657727 0.661581747896355 0.273394942272856 2.88965578874563 0.931021113323431 1.96209029906977 1.24567041123311 0.286705793807001 1.49574950836947 1.02153009227788 0.603129239426502 0.129191735270461 0.643017067616087 0.332880054857623 1.1445609335961 10.617779511491 0.877976265352998 0.491150565793358 0.276636251858836 0.172007957574287 3.26309558449501 0.471991227524025 0.0750944612521447 0.964398368333022 0.429241247748326 0.245993745926021 1.37414872633492 0.661425374869601 0.210510961147741 7.0229293174436 10.4635509806986 0.994673744960337 2.69471724309102 5.43716790320798 0.847968569529877 0.807691926501289 1.17112943934001 2.1126316114935 1.52792152208727 1.88665734019308 0.601094187641702 3.34742164512726 1.04365882387323 3.43961599663874 1.76410883257709 0.835582741534277 0.295921806709894 0.834118968022733 0.344240733140451 0.672083136914072 0.236891073819335 0.647206102783499 4.11836540208664 0.298497641486459 4.22092645512259 1.22892206380206 4.26075413984035 5.63056931725724 0.24495893937411 10.5223646888359 0.191830737634269 0.316341108359477 1.26016837630839 4.17402369568081 0.223720500580046 2.68476053368437 2.47995371493943 3.65535537379803 5.83021887564744 2.50595805797577 1.88613383786082 0.719884998905135 7.50476831845206 0.464185113135377 11.1535260380996 5.27128288990229 2.55322388068552 2.35981111561481 0.732384845369863 0.219346460704924 0.443108299333212 1.81675961374338 0.302395785552098 0.174267319096272 5.0789649054371 0.17180008140546 0.0308461466458791 0.82681314566876 6.52343896983551 1.75662376573525 14.994033344049 0.212086889527878 0.88420018288698 18.4542226435089 2.51683064233652 11.1221448686818 2.47630546276378 5.35172164923565 0.325357716005067 1.58581766108815 6.89436595439007 0.393135173300026 0.394479845795527 0.152159595361498 0.229163908326101 0.654631534408207 10.2390526810223 7.19367748105587 0.52855794167015 0.865909960140126 2.35966423000897 0.6066089204628 3.77812514162305 0.133587460679088 4.30462854841189 0.700003430719168 0.146311447462771 4.3524556537193 5.38218067522483 1.05714993640463 10.2347863911418 0.25418782806252 3.16206759702688 0.96743671487886 0.383732122670658 1.00532625503966 0.162830233191488 2.79460860365071 1.15951717498489 5.44489879590228 0.340256016359024 1.43058092240603 0.815145989806952 2.22154296806339 3.39128504151382 0.859217770617034 2.41339064752071 7.45913941468543 0.845630089694247 5.16048133413468 6.33582301893969 0.214402836738851 4.22319005210034 0.0936970912160459 1.03461798942068 1.77993944145351 0.413678658512567 0.674569688283162 3.75976511856523 0.0411869271810797 0.861929139978001 0.0460614285091069 1.05455665155033 6.88187949196555 0.387365635460252 4.07751392300195 0.90411665122843 2.94841579130385 1.96396931666427 4.71368649410573 5.40988123358496 5.26337088911958 1.15977502953172 2.85102690742691 0.695007964774562 4.76344801676902 0.534427944520612 0.159054917342963 2.28288151608986 0.638799570185949 8.42282232983104 0.62943650225898 0.45373776853319 0.852092378678546 0.461391237096155 0.19254856267691 3.20101481520071 abacavir 4.80013677280977 0.0114731491509539 1 2.12560058293156 0.241563816278106 emtricitabine 1.22544533476867 0.774554665231333 0.414397342299082 1.5859553115816 lamivudine 4.01094860559216 1.1911945566584 0.8088054433416 0.304820634557491 norfentanyl 0.997943798704824 0.528388284735362 0.39968856636563 0.900782511661434 3.47667828766949 0.238156627090568 0.865478228524826 2.08679017736469 0.713739814294989 1.81444747098792 0.766260740186259 0.969099222109016 7.01189362277255 1.36146401532217 6.43811180652301 1.03675979641297 2.35059849319721 0.300316285345292 0.179966130437093 0.37483625475641 0.228014240926723 3.21391886553137 2.13365770486349 0.787557440791799 0.804124878418435 0.741574772951481 2.71990148716491 0.356240339897005 0.707233900983511 0.742152357584957 0.768344665543842 1.23281512440018 1.8620011690313 1.75728045430497 51.6715391706347 0.754216945409011 0.420470061478108 6.70982841115709 1.03289922072281 0.982055600607157 1.0412118187678 23.4867120879222 0.715105224368527 0.879959430455345 0.57244181989987 1.30843481495344 0.162035593075453 2.21717644286417 1.41265418621791 0.525528085630388 1.77173393217308 0.251002109339082 0.226879864706576 1.38727049674589 0.429126899964652 0.280158581636967 0.34899049757761 1.53694346832641 4.30588651155054 0.310858360075502 0.309349709012862 0.353613484983955 0.671423653707978 62.0539048186731 1.37097567906625 4.92987429448037 65.8023851935024 1.21426310597292 0.273733530174176 9.61334405330413 1.42140805892287 0.177189103519339 0.879261708218105 2.86062420726509 4.73555403073212 0.678682737381509 0.438867287223597 4.35857378181625 0.358178713926952 0.411150155832334 3.81426726458228 4.9769613041399 1.73198455769724 0.321897157590502 4.67646250205043 0.473730295700229 2.86303158001742 1.85534739405365 20.5017108056844 0.233829363016563 0.984911179035064 0.407696199724146 1.31780785838549 6.42671490653525 0.942061330246721 2.0992059366459 0.652649842781463 1.00205620129518 2.60295677125569 1.39104096923322 1.51739800432958 1.18777507468169 hydroxy-N6,N6,N6-trimethyllysine* 1.99138501731002 0.476013169968079 1.78450751159514 0.609944298047124 1.97381574784386 1.58384880261771 1.62447734343291 0.984526182444734 0.25027017456367 0.776286196047781 1.40498206352546 2.46535281676263 0.523191037711431 0.196065048257303 0.58759114980672 0.206802190596034 1.21046444966706 3.4357598360194 2.83995000283397 0.460986715795802 3.34015799680034 2.05838550145357 0.368577662048147 0.55817003212825 3.57212245620642 1.03713474053748 1.65877218457539 0.442994825331921 2.47815912442138 2.63338702372444 1.2661210590513 0.276602038737451 0.62387247107817 0.740875034634953 5.30975883544436 0.53102338892415 1.7411128072026 6.40913713475809 1.44786114362814 2.98974924733138 1.67044841449567 0.469382842436806 1.27370914501372 0.811121649534466 0.725348117464211 0.589845619799383 0.468454985441475 4.99893706010978 2.47081425084181 1.76508231756483 0.443490796095897 1.49858640260283 2.66858325979347 0.297698343997418 0.477465144384102 4.19558999446016 0.443897202934763 1.25775595690473 0.470331616398972 5.42066550699166 1.83956875952735 4.24883097493947 0.53478851314584 1.16774709000595 2.07394997089699 0.396657356393704 2.55706936448745 1.04042368790341 2.35634004319915 0.438933915545641 1.78336430810903 0.558236432969281 0.477345187685031 0.635434921121802 3.12021293191475 1.72263673809027 6.77964245673987 1.62332789293321 1.02259716782163 1.43464056772017 0.927962001311522 1.03237156815659 0.330505553612625 0.516470514534572 0.591437204440363 0.637289371671513 1.09273786425485 1.85653887721863 0.353664917561355 0.653770678097532 0.189747492552279 1.446248501638 2.32629990964642 0.440914920763827 0.419641102050407 0.367982511169608 1.00005309961548 0.282641497051182 0.39069960059473 0.618465084195178 3.85528449092893 1.1121670591815 4.23852417462649 2.10902274070875 1.81416047068791 1.16052301541942 0.926089160676874 0.762315908318407 1.64799643709652 0.952956934386879 1.56074208204189 0.3799758647683 2.67297659493188 0.505808336358865 0.386419203038997 1.25686270415319 0.999946900384525 1.22234535702121 0.322582655798501 0.231780347983224 0.265897254525268 0.627812441489084 3.73603475726053 0.48822123833708 0.866179247526156 0.42427807071865 0.237105891969131 0.380767901861522 0.341606286180255 0.810741774955547 0.426664289525917 0.346979489966436 0.22999405305364 0.536198372863535 0.746634430204802 0.166724790799623 2.29442947130436 0.268176712572273 1.11309007298653 0.434596803529493 0.930085424401221 0.432878453646545 0.461994450335628 1.50732414963844 0.840449062009155 0.301325051243937 0.846821156248514 3.66321086320567 1.16835087439765 2.26405972004605 2.54130527137396 0.362031353340038 0.8515384937994 0.642333027943278 0.258614921272713 1.71586953778943 6.48230854526532 0.446836528113404 0.462039653445167 1.21683282377473 0.496291116448369 2.97164680578438 0.860008110588986 1.021748416268 2.95957132852395 1.09807681475306 2.12672712816538 0.788597164663031 4.40699848018582 1.53012525788672 0.348420303987402 0.475596445028123 1.00755260432908 0.161500883619014 1.03638853827428 0.880678285293038 0.639877881413081 1.77386856669468 0.887214977811696 3.91340705628261 0.421730622807952 0.357088070432622 6.47949051041786 2.08169233703761 0.330381034487902 1.36111335820323 1.54486385809593 0.601819741019172 0.253384696887355 0.762341528093224 0.415028770480685 0.782935896340285 0.46629309759397 2.53908386141948 0.418340319401382 0.944850907826192 1.19776567487137 6.90492378731165 2.08259611846373 3.55809699822223 0.45100174196921 2.03431526677117 2.60314635401651 2.32459405379065 3.42295619562488 1.01773551723781 0.916384951505802 2.86280880821896 0.545261806899546 0.47668560131805 2.71501920693461 0.797272090606966 0.223105211465797 0.569067561276447 0.634050821561251 0.683279043392704 1.70482355432963 3.31987724267349 0.612992630103271 1.50399589522074 1.41982868793588 1.62259397412368 5.95292650651734 0.753708927421108 0.746781480693131 0.187567074237509 0.430143244372467 4.22580778184867 0.83046710640261 2.27547645323347 1.73598513210767 0.292622119025613 2.0633033049685 1.32324620796624 0.160015498208985 0.332219200687593 0.221266553927959 2.57851108046487 0.519394327465995 2.49415786659573 0.252035271761761 0.259490626233281 1.16001876209811 1.87870510638963 2.13095923420036 0.670986113906572 0.188601551610773 6.73719996567652 2.32283379978286 1.73312168357718 0.450219601830094 6.32795227983532 0.820255555499013 1.98065840364587 1.38439141541008 2.26547631811548 1.5891294944499 0.741024962961 0.877367859430964 4.38360130857387 0.128849638769949 0.662837551500573 1.40277771002381 2.82662217482759 2.11828369267992 0.336982443259657 0.643166758587845 6.1395519662914 0.83109194814347 2.20255737996039 1.19701343616807 1.78994311532601 0.127952034166251 2.63876261401019 1.99492974127713 0.597714259843828 1.73752596853716 2.34560184799296 1.06739218593359 3.99034934668697 0.773656484093015 1.11884967912987 1.28941175066765 0.644094966538995 0.458267299533597 3.24532685656067 levulinoylcarnitine 1.70231408737703 0.255686103357045 0.739600099781405 0.846722684736152 0.616784848218573 1.26423207255891 0.231382084906647 1.1486655486374 1.00243664859413 1.73087422420582 0.37201389776737 1.08038524950973 0.19828264374082 1.03802312879672 1.04037607095308 0.170721986766054 0.20779602615139 0.393480226332213 0.366086982232996 2.97502258199795 0.60235652362583 0.529688507938993 1.95666421932919 1.85746667671699 1.07368040548898 0.242687867855437 1.77898335407948 3.77364779745874 0.962508261325669 2.3348948817886 1.38860651269402 1.12771645089701 0.970903059199608 1.44970554907051 0.390500943467337 0.464860578807113 0.808128603072818 0.455652870651898 0.722182497525246 1.18615770376167 1.30870142996416 0.964445586442722 0.232897962685253 0.394278144415677 0.83323053960668 0.928517617290002 0.204014660703659 1.01954274629578 1.0099569015958 1.84037973571254 1.12359359649916 2.25847298635002 0.87456069737041 0.888326866559861 0.406833277182 0.674120010044773 0.936862441171241 2.70199133867417 0.717868076155368 0.46834543189815 1.04116982453715 1.35998640707399 1.45755479752412 0.667182786957954 0.827508517442381 0.454640897299697 0.414898246704111 4.91246263923483 0.307059367853979 0.759467260579807 0.952975722217896 0.544283412507408 0.900922811420223 0.259463304305384 0.778105061157756 0.582967447357604 1.60100347777344 0.211809770665183 0.588440432458275 1.1280287883514 2.20548972638823 1.61183450779157 3.56010309634694 0.514535560452081 1.56838795143694 0.6558486854133 0.98958000607184 0.662064617205463 1.43508066010647 0.644756124833368 0.858105927373629 1.72287088927471 1.45290388460339 0.532326301853744 0.521071325797533 0.832439284722243 1.28756826135066 1.34511914424535 0.826728923156241 0.425421103767248 2.49706631840346 1.50741051844269 0.993471314303514 0.391914374560906 0.738942108877505 0.687553019282882 0.551727871620144 0.248977927736774 0.450826215856831 0.549683102418783 1.56450747090368 1.28633723533045 3.71998072669682 0.428383728634556 0.549169203193838 0.997563351405872 1.19505474026226 1.82112309052497 1.97163809334226 0.569372855543095 3.03591672500436 1.19883443991023 1.31505229153661 1.42235061836569 4.33434933236828 4.09883356536536 0.902432025999803 1.14954342510918 2.21409691373115 1.52573598156626 0.446649222966881 1.16237008323585 2.53990652364665 0.380804323083529 0.55834276245404 1.2272838010552 1.69138144357374 1.69656541241662 0.992241121183184 3.58779201990298 1.2036302774098 3.23771670493148 0.818768899018802 1.36640140193708 0.576669058477484 1.99986423731983 0.804841147252951 3.21196760519213 1.90758476109725 2.63608563709969 0.326495919415271 0.851588485825502 1.01292702256201 0.503592921850254 1.43774427391745 1.03860032841242 1.24826371609108 0.88307210122732 0.303721938041411 0.295752752005311 1.05859658869197 2.51879251173035 1.59634590165368 1.39808241461006 0.904928226935233 1.24030785645304 49.1529266644151 0.580995973345538 1.49286392206722 2.58570435635788 0.896664194342194 3.38065814915488 0.650583925282218 2.79358450539698 2.82659732497546 1.42541985441743 0.430098669484089 1.35040555977327 0.808946510753362 0.676208090039808 0.795563475507954 0.272208338243972 5.85504043937134 2.18848690827149 0.790072999509838 1.30739294425526 2.86758266218955 1.34023668515843 1.78402323124341 0.354201500968871 3.76175065559632 1.25255398336449 0.486670062121837 0.351423779874557 5.52769079758076 0.929947706381137 2.94226879428164 1.29778044675917 2.01612910614434 0.924433909186428 0.832645843892075 0.559897786526928 0.482693798102571 2.05398024111619 1.40495050700698 0.363546637604014 0.679971964590095 1.76625164653895 2.22249421030472 2.57542137445971 0.823122466682964 0.419764880693339 0.791506420200487 1.38470104516441 2.14281900794128 0.752969808628759 1.99080228664333 1.43428440782276 2.93889221817479 0.343248867568503 0.78598096240748 1.65683775401885 1.10174246819051 2.59569748909838 0.269436447448807 0.865985993122746 2.00695388108439 0.822627724155221 0.523592513729313 3.17431303459158 0.375243883495631 2.31164864618372 1.6666518132855 1.52342884890322 0.781314224389058 1.46582965781558 2.16277195742716 0.382695838707273 0.993145650451078 2.64257892455135 0.780099023466538 2.29316826368278 1.09448707735016 0.619560070613252 0.442004140345295 0.361054601167976 leucylhydroxyproline* 2.14293915302145 0.995682601628391 2.95544833679084 0.899586376716623 0.691494255181471 0.112513382063973 0.538483302195982 4.27690353870599 0.836023740443176 0.786502574193448 0.554944723975822 0.374057094980939 0.807484464028373 1.98955446055109 0.371481988859917 0.237540419993739 1.86588913034153 0.245915105007562 0.631215415407559 0.624347096742397 1.36891144610257 0.483199976635578 0.323918505626171 1.54472050766508 0.993403657809786 0.859760076591496 0.259367901117385 0.312365894150042 0.554749868346958 1.72331778443218 0.479408734095537 0.92982003006344 0.32983079960171 4.05480554138378 0.957030454976485 1.26251936007039 2.22686032365201 4.03194993442446 2.45409895015255 2.02168373516793 0.522104933635002 0.955620375601337 0.327319580572118 0.362993219754254 0.91146116166811 1.75846572411911 1.59920159389166 1.69920268909895 0.247735430776967 5.25962162413764 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1.52761602791421 1.04952845466786 1.88520281417708 1.89949731667078 2.55895503764246 0.93130297915916 0.358107143534409 0.989985929114596 0.955590768588929 2.03924252365691 2.55695522727704 0.462512051277189 0.788603113799708 0.887903058805681 0.17401718089242 0.634340090645327 0.937013255456735 2.89518077863956 4.87861581931618 0.265475053571767 0.666333415508316 0.0737733108300305 0.0916999981036543 1.29625699277492 0.0470236095044849 2.93004926706237 1.33001255380881 0.998411772514365 0.302729600060683 2.00176951813855 1.94768391709176 0.603189653537633 1.55842724669562 0.0748601445015455 1.90122162592684 0.804155879619972 1.61264847438985 0.0503678531469858 1.25818959664726 1.24709400185842 1.27859488365919 0.307456203895094 1.6836057876472 0.86264980183187 1.46713746610282 1.79109885650352 1.12250863785485 1.11579951832818 0.287611931807407 1.53887850112833 0.101779151574915 4.5307920277625 2.72535831452791 1.35984920258662 2.76955378984697 21.4254585174369 0.404692924734038 1.13352928905998 0.238619156884683 1.93466133161398 0.819474105398896 0.510705326835189 0.441034191113724 1.20511406519637 0.427273699580908 0.158302694707299 3.46931750516754 0.424926478675592 1.13861604687767 1.09451766446059 0.117934196802761 1.37737811237745 2.78292014488082 0.38119158781029 0.932594618170785 0.450610888817249 1.30365213433713 1.60815853450401 2.60078751445964 2.40800045512298 3.45494199078376 0.257330172757097 2.94682692052415 0.507250336601369 0.124338687349478 0.723686192706654 1.60387097263573 0.4965197504409 0.152610016498208 1.39581544763241 0.767966927730264 2.11347035063433 1.74747653272145 0.512861699505054 0.782745074241936 1.20188117497582 2.39088236967364 1.33045948457323 2.20284467032029 2.05566093338137 0.0439621489389946 0.744339370033945 0.771593044203819 1.00158822748563 0.824772343693702 3.14906931143686 1.32605389414598 0.75412997553714 1.85945681072573 1.3221073710959 0.0467208010164413 4.71528158837919 2.09480181290653 1.95206250355565 0.957915536760662 1.7796252062276 1.68698158648285 0.535580528321924 0.305916371152789 1.72049198793924 0.639594333718924 0.784354692507538 1.01754756983293 1.24931469857584 2.97022964746933 0.893873058616047 1.02890804619498 0.532787893728785 0.475555268996644 2.30147892211708 1.04055251929532 2.36671291221816 1.0697683803311 0.445006504465894 0.351731477442967 2.61570280469535 2.02135072914494 0.764923975499213 0.430428308649233 0.729012648626098 0.0493626381961959 0.189236796692773 3.32915328162631 1.03186937970531 0.826699637797963 0.473016896440559 0.597222991295773 0.42320186600421 1.20430000189635 0.981537329565926 0.759071397417177 1.29900441848558 2.08893527771983 1.29634650029393 0.114804467790568 0.544573151536988 0.0858914152428271 0.505752375173042 0.0517632601975992 0.321750706388789 S-carboxyethylcysteine 16.0932807696224 3.58441320598319 0.46898693219131 0.343503714379236 18.6243655897666 1.34695397668528 11.8289260315423 0.463304147216659 5.38474764020236 0.556884226581575 0.671081143691227 27.5362667054813 0.623691801168128 1.29767857277088 11.4379291045924 5.40777945655464 0.98407849842179 19.8952074223349 13.6492814174435 0.459268249181511 15.080687209702 10.7271928367935 0.87214212155939 1.91031368071031 1.04431355907302 0.654513871093171 0.383754724549617 8.05553220757336 0.992153027914392 1.24368528195593 0.589271180776934 0.289719530370714 4.74527442534921 0.416052842520024 1.88701945581662 0.503037173860009 70.2878621699136 1.18222291468921 17.8454345355608 1.20404109153753 1.21767403528985 5.11053481457488 18.1817548161193 0.60300799457689 8.07913940932111 6.20337071971693 0.241672799782966 2.43337180625229 0.805596955514235 29.8459347518428 0.202638162538857 0.51549064588719 14.3317540985959 4.84440608541808 3.65920647383739 2.78167951033473 5.29625035961587 0.397909751962426 0.33850291826999 38.6440680977499 1.02310493539898 22.8012617477366 0.692441472303257 0.640177071096998 13.3836706718137 0.434361305127149 2.72251458451639 7.29096802100908 36.394290700829 5.80398218628683 65.0636880563796 0.25121381034286 0.360523368368974 4.2907459304467 16.7976809645154 17.1184385051733 34.5369575779692 11.743054203081 0.555196338307479 0.457111578981896 0.1377371500109 3.00944055729014 5.53040624805671 1.13485953967802 0.490175055198047 0.352880719600756 4.5036234929447 8.87350746600135 0.314912117056077 1.7708626749134 0.716837266386354 12.1107418713146 1.45974591472952 1.3337337797012 10.3195343341759 2.27754486741877 1.70336081106107 0.289552791610034 0.185300064850444 0.683347376290432 3.85128405929613 0.97520580961577 2.89891872647121 1.22018605038927 0.526338232309462 1.58923359622022 0.779531040402032 0.622561531044502 0.555317975600106 0.677645457359637 1.40470025632668 0.469914929064274 1.14762325513696 0.162414486591539 0.606722715491056 1.09384727139535 1.31120764647556 0.346096365436695 0.318648705348692 0.663413894122254 0.297117537842523 0.600299173071417 1.9720507569188 1.03109062866663 0.317545769448129 0.348930924368255 0.475558079415485 0.528252994634975 0.408110884009275 0.587903102912667 0.460570724910429 0.160245515991545 0.351265267017775 0.51657854796507 0.575373095060911 0.482332866601475 1.41218573331229 1.12851799992756 0.934749792772421 1.16462377517055 1.33270327949175 0.323050881972875 0.508710391856588 0.681634887215579 0.86997861780401 0.447008850138072 2.94042437748015 0.488924514492947 2.3283031529343 1.03141727263222 0.89510833577633 0.250540021744375 0.485723676972352 0.310022024550232 0.287065377311365 1.796905355936 2.0745486265578 0.383607119745081 0.188752377223212 0.3167653773797 0.418365317791094 1.4176307105463 0.255833294040388 0.477983991712264 1.31341761841015 1.01051479225649 3.99347805437734 0.370457991740965 2.8526432535379 0.243222650230598 0.233848378431385 2.78398378533888 0.378849598221089 0.336012770549015 0.573980416395887 3.60606874420429 0.771959460613776 1.33486951666943 0.822166961534598 3.075965222668 0.249185610991638 1.73380293528554 0.29680456098846 1.59709628548409 0.624833004980979 0.238825940451028 0.948598676886933 0.825109490647254 0.244779334233996 0.260809489348878 0.37482190045286 0.929832366043515 0.244570227427569 0.278121619525382 2.10590371383255 0.269638443397999 0.413722600003963 0.238659201690348 2.52462984336807 1.90106104620372 2.82813812256256 0.57000192022917 1.02590669326287 1.31271102874399 5.34867876616051 1.57486262844522 0.656870081121141 1.33184635159875 2.06635655990603 0.245596627503559 0.216256072468492 1.93495684951212 0.796293752694984 0.519655014770731 0.301321541349504 0.427225706196737 0.357554871744409 1.42743276293643 44.2829406430513 0.30941110466479 0.628833368526146 1.21683487464184 0.870644206135576 0.754611795947291 0.457379454367906 0.758347017528754 0.382415347619565 0.407525931635741 1.91006357256929 0.995006720802095 0.995244528542737 1.285379539104 0.160367153284173 0.80014924485792 0.391752718217645 0.314327164682544 0.443572938299142 0.174098500239516 0.604473108933029 0.638158438723847 1.29329553010284 0.331059809330127 0.354739446768992 1.11970544641228 2.4046995729711 0.679918298007267 0.574770375442387 0.337916599185304 1.16937992998339 3.37646400390333 2.76632724395179 1.0415186347649 0.84476143031789 2.18728316273361 0.619829475449426 1.80771057431253 20.7371629946555 3.70288929571324 14.8928259281506 6.51456674914769 7.48323011247349 1.91123347731635 0.164362049984727 0.341817192816293 16.3131777606028 1.31082223393038 26.0375271548422 4.11533128736674 1.63198568780081 0.591563155380708 2.58086317376297 11.3600785038886 10.8188964217452 18.0040317979017 1.29732596129337 12.7419287164464 41.2147998417349 0.62851082469401 30.2886206946036 1.00475547145726 24.4867992786499 20.431414675881 18.9551452233104 2.15838815553446 0.415474723702257 0.511438347318205 16.1435101379217 6.9903776701265 1.67835956393714 24.9716291265281 N-acetyl-2-aminoadipate 1.08681393702908 0.541930715703898 1.2415041869962 0.432853358052374 1.14459135292902 3.41059119008399 0.983498788057196 1.34427693675976 0.504249628901235 0.797428301213195 1.3268988669744 1.36311560118 0.744809314735596 0.595682101452452 0.948938062519964 0.618698367165432 2.78313802368769 3.62087172196091 6.89108298206826 0.521933346277425 1.67834349027001 1.18875241918816 0.543451437733698 0.571453266608627 6.04169333775938 1 1.39629965990442 1.43518705256763 0.829208134735471 2.35209475075316 2.87508032644165 0.240143804686179 0.38394723821096 0.547532584663756 8.60228609366094 0.435034228772211 1.67725869185336 3.3740324813198 0.756763392437727 3.50674616844439 1.69857134804367 0.314844576947407 0.888408565648468 1.23265418605671 1.25110578037216 0.829635289770201 0.671854742235111 2.42614163759465 1.89129593325859 1.22216821891382 0.52486956739592 4.57604549639549 1.03942603390935 0.760221970299572 4.63013885670264 0.900837399239639 1.11010578663543 0.575054647033402 2.38931235555333 1.97796080445444 1.84908149140993 1.08668992427706 1.66340308528695 1.49283293979118 0.413137835789579 3.08180081547779 0.58504080520603 1.82295989628024 0.734007678769393 8.0941870588309 1.12454011937793 0.307983790656453 0.782799807091275 1.60256042490026 1.41640099961794 4.2992603077771 1.90396151846725 1.96719800076412 0.864342575832545 0.649816799343609 0.984797790318237 0.377096473152492 1.50265124231967 0.898903301369777 0.689958098721667 0.928698930859759 0.273708670245082 0.433918114004046 0.686550879676314 0.583287089520923 8.3620771509636 1.40670169922523 0.55831918878123 0.389403799299766 0.484793406029024 0.996692993279511 0.622433781574712 0.719964174093861 0.783115475914594 2.03039064016886 0.665329667232449 10.1893198714777 1.19747590206751 1.84326040798943 1.18901046592468 2.33078209456286 0.616013929513156 0.83544384665009 3.4802926199886 0.904728142752457 0.454132192583035 1.71093504362368 0.537594027345438 0.922007252867012 0.927412455139326 1.00625074376335 0.875641515460883 0.772266239094081 0.233388241336331 0.524855788201251 5.00422144418487 0.503124745554644 0.566298595148471 0.758441948879188 0.507933684494022 0.58668679264191 0.829535077445337 2.18480280093448 2.06083764977045 0.439602658131917 0.252452383487514 0.534479929350311 0.778019679195295 0.176358659910686 1.44575945284071 3.84924308378377 0.542177488553874 1.34678976080571 1.03676790199235 0.535578506961625 0.454172277512981 0.999022929832583 2.33601818853696 0.479908055191938 12.5929162412862 1.02939853815271 2.05196510105787 1.28363094306061 0.616507475213108 0.738921840649877 0.733616850702426 0.494983746813561 0.262838138305535 1.26542236363295 8.27420221594503 0.579482779138299 0.674980114116785 1.05308121582603 0.417421912677485 3.14454249942065 0.615868621642104 0.79195796092972 1.38655651661959 1.14679602407601 2.11861506567039 0.495078948522181 4.90909990542462 0.711791859001259 0.564032543952499 0.778537025322402 0.954898190541209 0.406720489036145 0.776828405183483 0.683817588515668 4.17206831975247 4.39437433061299 0.486153788339043 4.67166308616381 0.513500479140178 4.67223429641553 0.785209913504237 0.697143322414365 1.23880847545738 1.45796155604687 0.383656622468856 0.284178352885176 0.536733454005675 3.01489155147469 0.298755488190604 0.453492086357971 2.26491128077615 0.622313526784876 0.778899042345971 0.927738145195132 3.45251626884462 2.62818722167593 2.7578920337465 0.601256412022974 2.10099648630536 1.91985018257433 0.992858619199429 1.80536887530455 1.35019196923482 8.70188211272634 4.58145320397592 1.14669706440521 1.17174764031291 3.23374650039772 0.341293114786955 0.341087679520985 0.739099717526509 1.38965808807411 1.40311284534107 1.55387477217354 2.01687951346916 1.06478351006194 1.32663205165945 0.471493977865603 1.18437815120787 3.50086871559116 0.802316157358403 1.35841439048985 0.552003307006721 0.849760429910874 3.7205253631131 3.08552370334647 0.684437652275759 1.62312023600003 0.411976625475226 1.08402051847352 1.73606077877503 0.556018063271557 0.377815496583386 3.53197837919091 0.722379291123067 1.75955555833923 0.45168575920231 0.688652833190322 1.70352684750816 0.898308290690901 1.7775912715065 0.519182517959928 0.222047964123988 1.68488234446734 1.50871909859014 1.68281170730485 0.93610837962934 0.901022792040636 3.69699049861895 1.41540639229367 1.94187559892522 1.28707323641966 1.12798742335323 1.41614545818954 0.809472570007704 0.64079393214373 1.96933252328371 0.517388717344875 0.755838933740863 0.732441861193404 1.83696707398801 1.30978385454181 0.47831217391849 4.85678907184597 1.29649444761088 3.5856232893443 0.42037441829877 0.64709478206951 0.798926475469902 3.72097130795874 1.84003983439913 4.18347248232192 0.985042057860091 2.42129136107127 0.592139595768535 1.12230663718754 4.42567565028404 1.37404124989822 7.21921821860066 1.00205936327594 0.725542242626565 1.51646175333989 0.765769975134817 0.413900702112601 3.02629320873601 phentermine 1 3-hydroxyoctanoylcarnitine (1) 0.649663197621392 0.915557506300474 2.36247731378547 0.326398635478055 0.905477523066196 2.16179231927146 0.411610107396198 0.96744032034006 0.301901837356793 0.444096795678523 1.59310166535693 0.520580127326818 0.579297570918684 0.13332703907908 1.62227146259114 0.22642061043862 1.14134823895458 1.76328750838359 2.77782306754358 0.607806665324453 2.13612727137196 1.56210950703485 0.405931320057304 0.288358786450978 1.46298353273809 0.907179685869538 0.809565495802899 0.78592947249335 1.50349365038022 2.22778873833192 3.715020724026 0.229602569218945 0.220421165095543 1.06694123573724 3.68017155784828 0.717822022593982 2.38991644959083 1.44848761962516 1.270629054814 2.32473621565589 2.61242732002318 0.672214140610861 0.536179344370702 0.536239637381162 0.778056097120989 0.404345672042664 0.261750569754409 3.68593041275412 3.15035748811564 2.4661620988249 0.658909741460275 0.96136604187146 0.614126187067111 0.1500012552966 0.320640556045019 4.86895411110606 0.181480216670979 0.465986841971341 0.515462976165746 4.37052323185658 1.54592713444285 0.464307555615698 0.122717795656519 1.15298304515956 2.37346789595908 0.853421390855063 0.998732392768832 0.867211235980542 2.06402187143495 0.626727038516862 2.26462156394059 1.15648081523905 0.509740568481664 0.276768763800387 0.641411973125602 3.63508983416223 1.13188184857595 1.3118719942553 1.87998278838113 1.23414984480366 1.23106094275974 0.754738599265414 0.268187575626774 1.32570080688915 0.754012562853283 0.275789341649762 2.6896339739288 0.663725233700846 0.341343547344117 0.297963210988605 0.495772170743214 2.61439004168845 0.977672296243794 0.303862038735448 1.91720567680988 0.202184371179282 1.12415503756342 0.213146066990963 0.359665255532344 0.82320489920453 3.07987030605101 2.82074703815433 5.81476513788343 2.61040915205248 2.22656349130264 1.27840646542695 0.84076451149527 1.15695443525369 0.506478736002595 2.62765702427627 1.98016999720927 1.15288048888132 3.32606372816111 0.789831651639781 0.674401361652695 2.17377822078816 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0.800261373108367 0.566806642738807 0.656916388619278 3-hydroxyoctanoylcarnitine (2) 0.483806672253913 1.08818229743978 3.18150058125389 0.41553096866636 1.07040133553219 1.92348738814242 0.331687799075401 0.845967044256401 0.371813917651194 0.539070399307902 1.53374651923545 0.725757657682014 0.701233474816837 0.225562329341156 0.990251831625618 0.308676903944416 1.1676572764876 1.1309875909054 2.3240341723215 0.641709697477629 1.26048960501771 1.40723728676093 0.4775304820352 0.304657465733056 1.7532590770229 0.646111005974749 0.549846576009084 0.926023953067128 1.32706818243262 2.13346197518181 3.12942428830193 0.31699897266755 0.257658357890184 1.11666914488091 3.13614588120793 0.943938062667279 1.46517545756847 1.3852685933656 1.32021276595745 1.58648855065019 1.99599407932088 0.64640366054773 0.420301305793614 0.587820703452378 1.01619265186948 0.499359944848469 0.391068290572873 4.95079956203196 2.1395110708589 2.93851820811593 0.727477763659466 0.611744707886128 0.659565005812539 0.204602043850875 0.32492430181946 3.78375057449512 0.206992619427397 0.408493065505961 0.634492687015059 3.68526386222931 1.48144853875477 0.430179242477493 0.230582064938225 1.13696301603179 1.99685784963097 0.50474127443294 0.663227581172781 0.918944145556787 1.2656972343129 0.586646029900781 1.8281914893617 1.09329395225608 0.596948417096975 0.333909405498932 0.596190083538349 2.59657736083701 0.588016031793236 1.11080388764227 1.87021682121712 1.10476763362081 1.34991010841061 0.893268944821433 0.250104760874855 1.17883222038985 1.0845399983779 0.516350806996675 2.56173389386034 0.66379802103328 0.445259401443672 0.396152910324691 0.763343156073427 1.58213455351591 0.645846062342859 0.275350104084998 1.70083538349239 0.313477655519208 0.952707561707535 0.345032982778664 0.54902335829571 0.669127983995242 2.37839154883884 2.49229703425343 5.3821960582876 1.9003217172673 1.81714698964557 1.33707791505583 0.982215658709346 1.33893184460245 0.464557030468518 2.82796574657331 1.70762861931926 1.22346576009084 2.74208345724405 0.731854740598556 0.9558348427911 2.99753642974939 1.94391170347941 1.09361026251048 0.744525399443078 0.545455405661143 0.362372597258645 0.561501392305821 9.72380302252021 3.22428695017438 0.365507312984942 0.355023114980129 0.672080213036308 0.857857065614101 0.388728405742248 0.718631890562059 0.145084349401173 0.376651842439644 0.537158344372651 0.167302441266322 0.797687826110465 0.553547000459596 1.02462421260375 1.90617616048014 0.707383276109114 0.527923842223364 0.421916650896212 0.914426586282408 1.17742910054341 2.15084484576496 0.977815701965449 0.748347481683744 3.25545432425856 1.20667292978994 1.14152315553273 4.73200884046609 1.47442753250967 0.724488361404742 0.771240098407635 0.335515288328963 0.468476438941307 1.74483900619103 7.80814701668064 0.531495850117603 0.64952891400146 0.733144313174187 0.631130876747141 1.62482156857444 0.67164089323853 1.10068939414421 1.19819676119928 2.41042066560329 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1.64289383330179 0.838979831841899 0.928732866527887 0.804395225607613 0.82847265403228 2.66530522587796 2.85116183189597 1.1703344237476 6.63686636567628 0.486867717429506 1.7445436481116 1.3909905647625 0.418129038362757 1.02325015545162 0.329009300062181 3.06927735272649 0.729003893049285 1.14150558274082 0.390753332071697 1.17264051474763 0.908786395955554 1.89296547622266 2.34111762956555 1.31193327746087 0.486735921490173 1.11434953634864 1.15429046473276 1.04186852848144 1.83372894644354 0.618127010732921 0.76187582794885 0.774760739679364 3.37306699288978 0.66841561004623 1.29534794127984 0.407497499256536 0.299307902349347 1.00126118575793 2.84746613858174 0.767437616588716 1.23680080564492 0.563164048771256 1.6024737083998 1.96321000838087 0.469886993430479 1.85660061099246 1.27832193354781 1.97379558787748 0.175920543945497 0.512203628105653 3.16411771067074 3.01957338668253 0.97132458298413 0.904714239368461 4.86555192084133 1.97594487550353 0.555354970396604 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1.88881592345931 2.97082656902384 1.9217568711832 1.01601081709961 0.762110318259061 0.515237520425449 1.30991047628761 1.04102393932111 0.84654185599047 2.33307615086733 0.673698806240951 0.421229914996841 3.11042964024387 1.02177371724255 1.05149832922925 0.47903405607416 0.332311430947112 0.401385871976522 0.642109444681156 4.22166108506221 1.87495877274178 1.15417700108975 0.407121186564754 0.337297270821767 0.555997541683925 0.531771848167495 0.679749011738491 0.513082051758855 0.346593009065597 0.744087642763462 0.77423083002729 0.944375669031865 0.380916415027109 2.6671074913228 4.9407755527103 0.692393034149157 1.33706835948537 1.27906200208577 0.67084123113843 0.677527897508957 1.03274142422671 1.4480345504302 0.503841399811057 2.4526353163163 1.05628534531718 1.13503635790953 2.30647557644745 1.61440536325946 0.388491226001919 1.43638303549875 0.512070864130753 0.346377222601114 2.40643457977563 4.93981794594058 0.46721880889561 0.460499022896753 0.516383561341761 0.563820028957411 3.96886265139588 0.67213607714541 1.39205156484413 1.16097080797369 1.64546994197598 1.67735765583427 1.10631052959282 5.04509476995057 0.968693215448377 0.619612396452129 1.17729518017173 0.835199570674626 0.522149620783436 1.06865251562342 1.60808068043237 2.32467763226038 3.50036587435766 1.38519315136126 5.0528153963441 1.06846081616136 4.00260387705324 0.497488304498725 1.56774269059662 1.16542319283607 0.343405128220351 1.37160233588795 1.48086445622479 0.806651511220864 0.429503037008428 0.463245280426459 1.66103962343704 0.390553145500655 0.476292590500922 1.38302296757171 0.549821812370945 1.4855500779064 1.60229085203848 2.45690832086135 2.08221320114036 4.32035113167035 0.498488636013058 2.43649838170753 3.72224486621907 2.00262215433853 3.50780909735973 0.698225036000633 3.98320262353256 4.00505877938903 0.790453489768802 0.731672425672462 2.72869806253355 1.74079787983491 0.356686247604419 0.322745880110126 0.739220859683351 0.573405828990976 3.17661298367883 2.45080773621085 0.78357796518474 0.599502972338219 1.44020014687559 1.11855635314302 2.0662000728759 0.573571172692464 1.55886981070606 0.391612019456615 0.384197908650255 2.16920705736449 3.20677843445722 0.423425288362872 3.55945078241941 0.411693306728787 2.95703048394626 2.70768380678111 0.273361969867287 0.715808590175662 0.121459515442027 2.13477072237578 0.973655286370817 2.35098367098427 0.339619482610764 1.0241209277779 1.72805348077858 1.42555111475008 3.52057682009797 0.914468559835793 0.21747469619049 1.43212654836118 3.58731268035435 1.82772606929275 1.93032891798365 1.72493463803183 5.83138557618983 1.08930243426088 1.64967547747022 0.701965751717498 1.19817523993973 0.664912436006973 0.418199469004576 0.702895878949243 3.64338516526896 0.210916246460499 0.727250976493651 1.02201634714459 1.55716007880436 1.40926047707743 0.331609706171436 1.55040191474707 1.25038778271616 1.28993278856987 0.666208320977966 1.09777293823158 2.56892992961655 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2.46637784518605 0.922590258095144 2.85444873833454 0.644926808942904 0.842906385730682 0.834765966400379 1.65642298771251 1.17275511527284 3.0926581668103 1.30793108873201 1.85071529352043 2.38469439695728 6.16214370458479 0.83669144293785 0.732263372232715 0.92689465481188 0.6992416155091 1.30318928479496 1.16805478483961 2.0249333175181 1.62897858778296 1.67176154836626 0.317558194929339 0.816348965802884 1.15691168383255 0.775123197043105 0.682384018655335 1.58981764653349 0.725663002344359 0.703867293635448 1.23856914199892 1.19063296032064 1.11476133242755 1.77931008549901 0.636275989025558 3.0082380203093 3.61515961630926 0.494050072896595 2.73534734197696 0.845687875387051 0.689626398382865 0.712397010921633 1.774449390851 1.15200453886026 1.27606340137476 0.958149640272652 0.910273180439879 1.69116727729489 2.18179329771589 1.52348768941986 1.69284170088922 3.80379493619578 0.276748267167888 0.730174213600157 0.970424691444044 2.25389194272122 0.699283641992973 1.27998181801592 1.59122442778316 1.25325739811273 0.643136259537869 0.878862807584785 0.621375941552221 0.741593804632701 1.34696042072934 0.666340961416647 0.473438847456858 0.765829261326483 2.0350395809296 0.483457187040249 0.225349324410447 0.870741742556266 1.50820829763156 1.53160156570772 5.31640163715274 3.21830739995139 0.834663112110899 0.96651014566324 2.59354334962689 1.13775258400666 1.10651750582772 3.70960086729391 2.35886746367681 0.605951116010514 2.95096311153027 0.342544598532336 0.851233712318211 0.885255809954028 0.761810755296097 0.492261182431713 0.345801651032538 0.461590143904764 0.41572431953731 0.458117982164734 3.64164791373069 0.375782017475829 0.508246729745101 0.624092732542627 0.402417960570863 0.462213905402256 0.749781227267336 0.733682319043499 0.613800667834008 0.532789643347222 0.638485144329176 0.651782655614808 0.447807669114433 0.741723754944679 2.0799913292728 1.94789932555788 1.23911327436907 0.619839762970631 1.16070180910189 0.763627294763528 0.942320586313688 1.71113870481565 0.815306598406809 0.462819971538117 0.946964512781719 1.00694902381049 4.95651613720209 1.5831365415577 1.03227827504509 0.738011599862529 0.621543494507664 0.782585662830921 0.665337302624139 3.93758403568712 1.83704230878019 0.418248120489929 1.04603199487277 0.845400878740599 0.647878063474921 1.19729471099465 0.822885742985379 1.15840694189037 0.824581179821647 0.931338955481512 1.9094683179757 0.643641130324403 4.82552511676865 0.67885711189026 0.489797103324599 0.422578507269061 4.91443048446306 0.419064872025209 1.67917535190959 2.40583537728585 1.35519429368826 1.06714145533843 0.789360774415383 4.10901393426781 0.327888415261475 1.05952028427599 1.22022402880805 2.05590407123268 1.7666247231298 0.499864658132526 0.653435512987151 1.80518955188432 0.758851206063316 0.629886304536621 0.824836656605195 0.379846420850445 0.890348203243394 0.247370648980153 1.60741623665555 0.448206367731181 0.561897407270084 0.898687142411994 2.33534535124878 2.1179147011682 2.74524126104889 0.652070758221362 1.44999774660629 2.56601102586924 1.92353170663192 3.22637150803466 1.28890138623804 1.17811349196672 1.40284181977993 0.515167275082968 0.672059328123708 1.24302339630947 0.403288351171087 0.564041310927688 1.50518570867297 0.63400379399613 1.87943984226797 2.10425609390928 0.975989882676988 0.889094044487798 1.40008742614606 0.8451730509596 0.587394764440175 1.15755701155203 1.42577058461328 0.649158212292912 0.285045732832665 3.46291536059691 2.42917887715742 0.661831962081052 1.26843448859161 2.64051789899654 0.760082692636822 0.993050976189508 0.654821833974928 0.447109808290111 0.750832442344226 0.723530158287775 1.80632039608855 0.365889204364008 0.89750818894333 0.451242228210996 0.594975567958898 2.08619300054441 1.61967525140547 0.583247967037965 0.582661255203888 0.618297501608481 1.01031224848048 3.06277899571634 1.26634311803885 2.3908147801614 0.404653105936877 1.63682150384584 0.399997566887776 3.00391758717108 3.25033711046357 1.51459300530004 2.55660870606263 1.17740401856133 0.7790040110408 1.90256380905931 0.445819152851151 1.16915355620088 2.05207136649942 1.87133979048139 1.52397541782481 0.474265552633056 3.57498782752663 0.639727690503701 1.82617735673877 1.26821108465102 2.05171801224685 3.20262101484558 1.20890673908493 2.33791062570522 1.24495993244796 1.19361131087515 2.83284214880306 0.579088451094583 1.07012091185304 3.09261779926658 2.17220296469195 5.40401137258773 0.424335877871038 0.751529750188497 0.762929433939206 0.530396345686631 0.460470359301553 1.6533069451253 X-26235 9.63255780515961 9.04611282321843 0.223643003937352 0.437226065304071 7.78148678251167 1.0261747442682 2.79409022934316 50.1571589752548 0.529792746883598 1.87068707886764 2.54171115274037 2.80024430949593 0.848307687371778 0.248791672088175 0.250921062247232 0.659626132798134 9.58783229388911 0.60635216572169 0.779574252678522 0.751144755158751 3.63487969599153 0.155368243686839 3.32060214685781 0.838946450947086 0.200806720412379 0.358225928058221 0.127897684704099 0.397605386691668 0.217327318281444 13.3442357634167 0.775654130951553 73.1644650887553 0.522528817172486 2.51573663293746 0.790759492392362 18.5332244872739 0.337926613277437 0.902582182636796 0.694681455946756 21.1464971710125 0.386648295923442 5.92152508063936 22.2123745849204 1.06232684594183 0.547558657747469 0.756901951208209 53.8789360891825 3.00154178779653 0.630868671169044 12.537138667622 2.50123135075464 2.18723304642415 0.435287987542117 0.158266448261582 0.271911953519405 79.3514961283005 4.77404520557468 8.95407730090291 0.253256024112492 0.568023142858671 13.5949167939607 5.1672955616118 18.3791122510637 20.9164505490131 0.973825255731797 6.16859494115361 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CHEM_ID LIB_ID COMP_ID CHRO_LIB_ENTRY_ID SUPER_PATHWAY SUB_PATHWAY PATHWAY_SORTORDER TYPE INCHIKEY SMILES PLOT_NAME LIPID SPECIES LEVEL LIPID MOLECULAR SPECIES LEVEL LIPID SN POSITION LEVEL CAS CHEMSPIDER HMDB KEGG PUBCHEM PLATFORM S-1-pyrroline-5-carboxylate 35 400 42370 166164 Amino Acid Glutamate Metabolism 64 NAMED DWAKNKKXGALPNW-UHFFFAOYSA-N OC(C1CCC=N1)=O S-1-pyrroline-5-carboxylate 2906-39-0 10140206 HMDB0001301 C04322 11966181 Pos Early spermidine 50 400 485 155305 Amino Acid Polyamine Metabolism 554 NAMED ATHGHQPFGPMSJY-UHFFFAOYSA-N NCCCCNCCCN spermidine 124-20-9 1071 HMDB0001257 C00315 1102 Pos Early 1-methylnicotinamide 55 400 27665 155829 Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 4349 NAMED LDHMAVIPBRSVRG-UHFFFAOYSA-N C[N+]1=CC(C([NH-])=O)=CC=C1 1-methylnicotinamide 1005-24-9 8305504 HMDB0000699 C02918 457 Pos Early 3-phosphoglycerate 132 400 1414 155361 Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1255 NAMED OSJPPGNTCRNQQC-UHFFFAOYSA-N OC(C(O)=O)COP(O)(O)=O 3-phosphoglycerate 80731-10-8 10669764 HMDB0000807 C00597 724 Pos Early N6,N6,N6-trimethyllysine 189 400 1498 155380 Amino Acid Lysine Metabolism 119 NAMED MXNRLFUSFKVQSK-UHFFFAOYSA-N C[N+](C)(CCCCC(C([O-])=O)N)C N6,N6,N6-trimethyllysine 23284-33-5 140379 HMDB0001325 C03793 440120 Pos Early N-acetylputrescine 192 400 37496 156406 Amino Acid Polyamine Metabolism 547 NAMED KLZGKIDSEJWEDW-UHFFFAOYSA-N CC(NCCCCN)=O N-acetylputrescine 18233-70-0 109095 HMDB0002064 C02714 122356 Pos Early adenosine 5'-monophosphate (AMP) 209 400 32342 155907 Nucleotide Purine Metabolism, Adenine containing 4172 NAMED UDMBCSSLTHHNCD-UHFFFAOYSA-N NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(O)=O AMP 149022-20-8 10239183 HMDB0000045 C00020 6083 Pos Early 5-methylthioadenosine (MTA) 212 400 1419 155365 Amino Acid Polyamine Metabolism 565 NAMED WUUGFSXJNOTRMR-IOSLPCCCSA-N NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CSC)O3 5-methylthioadenosine (MTA) 2457-80-9 388321 HMDB0001173 C00170 439176 Pos Early N6-methyladenosine 213 400 37114 156329 Nucleotide Purine Metabolism, Adenine containing 4187 NAMED VQAYFKKCNSOZKM-UHFFFAOYSA-N OC(C1O)C(OC1CO)N(C=N2)C3=C2C(NC)=NC=N3 N6-methyladenosine 1867-73-8 92307 HMDB0004044 102175 Pos Early arginine 231 400 1638 155435 Amino Acid Urea cycle; Arginine and Proline Metabolism 491 NAMED ODKSFYDXXFIFQN-UHFFFAOYSA-N N=C(N)NCCCC(N)C(O)=O arginine 1119-34-2 227 HMDB0000517 C00062 6322 Pos Early aspartate 234 400 443 155304 Amino Acid Alanine and Aspartate Metabolism 36 NAMED CKLJMWTZIZZHCS-UHFFFAOYSA-N NC(C(O)=O)CC(O)=O aspartate 56-84-8 5745 HMDB0000191 C00049 5960 Pos Early beta-alanine 244 400 55 155295 Nucleotide Pyrimidine Metabolism, Uracil containing 4272 NAMED UCMIRNVEIXFBKS-UHFFFAOYSA-N NCCC(O)=O beta-alanine 107-95-9,56-41-7 234 HMDB0000056 C00099 239 Pos Early choline phosphate 267 400 34396 156099 Lipid Phospholipid Metabolism 2256 NAMED YHHSONZFOIEMCP-UHFFFAOYSA-N C[N+](C)(CCOP(O)([O-])=O)C phosphocholine 72556-74-2 119298 HMDB0001565 C00588 1014 Pos Early creatinine 275 400 513 155307 Amino Acid Creatine Metabolism 538 NAMED DDRJAANPRJIHGJ-UHFFFAOYSA-N CN(C(N1)=N)CC1=O creatinine 60-27-5 568 HMDB0000562 C00791 588 Pos Early cysteinylglycine 278 400 35637 156206 Amino Acid Glutathione Metabolism 585 NAMED ZUKPVRWZDMRIEO-UHFFFAOYSA-N NC(C(NCC(O)=O)=O)CS cysteinylglycine 19246-18-5 58762 HMDB0000078 C01419 439498 Pos Early cystine 279 400 56 155296 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 469 NAMED LEVWYRKDKASIDU-UHFFFAOYSA-N NC(C(O)=O)CSSCC(N)C(O)=O cystine 56-89-3 575 HMDB0000192 C00491 67678 Pos Early cytidine 5'-monophosphate (5'-CMP) 282 400 2372 155469 Nucleotide Pyrimidine Metabolism, Cytidine containing 4280 NAMED IERHLVCPSMICTF-UHFFFAOYSA-N NC1=NC(N(C2OC(C(C2O)O)COP(O)(O)=O)C=C1)=O CMP 63-37-6 5414497 HMDB0000095 C00055 6131 Pos Early cystathionine 310 400 15705 155581 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 460 NAMED ILRYLPWNYFXEMH-UHFFFAOYSA-N OC(C(CCSCC(N)C(O)=O)N)=O cystathionine 535-34-2 811 HMDB0000099 C02291 439258 Pos Early gamma-glutamylglutamate 331 400 36738 156248 Peptide Gamma-glutamyl Amino Acid 651 NAMED OWQDWQKWSLFFFR-UHFFFAOYSA-N O=C(O)C(N)CCC(NC(C(O)=O)CCC(O)=O)=O gamma-glutamylglutamate 1116-22-9 83831 HMDB0011737 C05282 92865 Pos Early glycine 340 400 58 160611 Amino Acid Glycine, Serine and Threonine Metabolism 1 NAMED DHMQDGOQFOQNFH-UHFFFAOYSA-N NCC(O)=O glycine 56-40-6 730 HMDB0000123 C00037 750 Pos Early guanidinoacetate 344 400 43802 157048 Amino Acid Creatine Metabolism 536 NAMED BPMFZUMJYQTVII-UHFFFAOYSA-N NC(NCC(O)=O)=N guanidinoacetate 352-97-6 743 HMDB0000128 C00581 763 Pos Early hypotaurine 358 400 590 155331 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 477 NAMED VVIUBCNYACGLLV-UHFFFAOYSA-N NCCS(O)=O hypotaurine 300-84-5 96959 HMDB0000965 C00519 107812 Pos Early inosine 5'-monophosphate (IMP) 362 400 2133 155461 Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 4151 NAMED GRSZFWQUAKGDAV-UHFFFAOYSA-N OC1C(C(N2C=NC3=C2N=CNC3=O)OC1COP(O)(O)=O)O inosine 5'-monophosphate (IMP) 4691-65-0 5482599 HMDB0000175 C00130 8582 Pos Early isoleucine 376 400 1125 155350 Amino Acid Leucine, Isoleucine and Valine Metabolism 391 NAMED AGPKZVBTJJNPAG-UHFFFAOYSA-N NC(C(O)=O)C(C)CC isoleucine 73-32-5 769 HMDB0000172 C06418,C00407,C16424 6306 Pos Early citrulline 391 400 2132 155460 Amino Acid Urea cycle; Arginine and Proline Metabolism 500 NAMED RHGKLRLOHDJJDR-UHFFFAOYSA-N NC(C(O)=O)CCCNC(N)=O citrulline 372-75-8 810 HMDB0000904 C00327 9750 Pos Early leucine 397 400 60 155300 Amino Acid Leucine, Isoleucine and Valine Metabolism 338 NAMED ROHFNLRQFUQHCH-YFKPBYRVSA-N O=C([C@H](CC(C)C)N)O leucine 61-90-5 HMDB0000687 C00123 6106 Pos Early lysine 407 400 1301 155354 Amino Acid Lysine Metabolism 108 NAMED KDXKERNSBIXSRK-UHFFFAOYSA-N NC(C(O)=O)CCCCN lysine 56-87-1 5747 HMDB0003405 C00739,C00047 5962 Pos Early methionine 415 400 1302 155355 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 441 NAMED FFEARJCKVFRZRR-UHFFFAOYSA-N CSCCC(N)C(O)=O methionine 63-68-3 5907 HMDB0000696 C00073 6137 Pos Early nicotinamide 432 400 594 155332 Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 4337 NAMED DFPAKSUCGFBDDF-UHFFFAOYSA-N NC(C1=CN=CC=C1)=O nicotinamide 98-92-0 911 HMDB0001406 C00153 936 Pos Early ornithine 444 400 1493 155375 Amino Acid Urea cycle; Arginine and Proline Metabolism 495 NAMED AHLPHDHHMVZTML-BYPYZUCNSA-N O=C(O)[C@@H](N)CCCN ornithine 3184-13-2 6026 HMDB0000214 C00077 6262 Pos Early phenylalanine 460 400 64 155301 Amino Acid Phenylalanine Metabolism 143 NAMED COLNVLDHVKWLRT-UHFFFAOYSA-N NC(C(O)=O)CC1=CC=CC=C1 phenylalanine 63-91-2 5910 HMDB0000159 C00079 6140 Pos Early phosphate 461 400 42109 156915 Energy Oxidative Phosphorylation 1487 NAMED NBIIXXVUZAFLBC-UHFFFAOYSA-N O=P(O)(O)O phosphate 7664-38-2 1032 HMDB0001429 C00009 1061 Pos Early proline 480 400 1898 155455 Amino Acid Urea cycle; Arginine and Proline Metabolism 503 NAMED ONIBWKKTOPOVIA-UHFFFAOYSA-N OC(C1CCCN1)=O proline 147-85-3 128566 HMDB0000162,HMDB0003411 C00148,C000763 8988,145742,614 Pos Early pyridoxal 491 400 1651 155439 Cofactors and Vitamins Vitamin B6 Metabolism 4484 NAMED RADKZDMFGJYCBB-UHFFFAOYSA-N OC1=C(C)N=CC(CO)=C1C=O pyridoxal 65-22-5 1021 HMDB0001545 C00250 1050 Pos Early serine 503 400 1648 155437 Amino Acid Glycine, Serine and Threonine Metabolism 10 NAMED MTCFGRXMJLQNBG-REOHCLBHSA-N OC([C@@H](N)CO)=O serine 56-45-1 5736 HMDB0000187 C00065 5951 Pos Early serotonin 504 400 2342 155468 Amino Acid Tryptophan Metabolism 293 NAMED QZAYGJVTTNCVMB-UHFFFAOYSA-N NCCC1=CNC(C=C2)=C1C=C2O serotonin 153-98-0 5013 HMDB0000259 C00780 5202 Pos Early urea 533 400 1670 155443 Amino Acid Urea cycle; Arginine and Proline Metabolism 493 NAMED XSQUKJJJFZCRTK-UHFFFAOYSA-N O=C(N)N urea 57-13-6 1143 HMDB0000294 C00086 1176 Pos Early trans-urocanate 537 400 607 155340 Amino Acid Histidine Metabolism 81 NAMED LOIYMIARKYCTBW-OWOJBTEDSA-N O=C(O)/C=C/C1=CNC=N1 trans-urocanate 104-98-3 643824 HMDB0000301 C00785 736715 Pos Early glutamate 561 400 57 155297 Amino Acid Glutamate Metabolism 46 NAMED WHUUTDBJXJRKMK-VKHMYHEASA-N O=C(O)[C@@H](N)CCC(O)=O glutamate 56-86-0 591 HMDB0000148 C00025,C00217 33032 Pos Early glutamine 563 400 53 155293 Amino Acid Glutamate Metabolism 47 NAMED ZDXPYRJPNDTMRX-VKHMYHEASA-N OC([C@@H](N)CCC(N)=O)=O glutamine 56-85-9 5746 HMDB0000641 C00064 5961 Pos Early threonine 564 400 1284 155352 Amino Acid Glycine, Serine and Threonine Metabolism 17 NAMED AYFVYJQAPQTCCC-GBXIJSLDSA-N N[C@H](C(O)=O)[C@H](O)C threonine 72-19-5 6051 HMDB0000167 C00188 6288 Pos Early tryptophan 565 400 54 155294 Amino Acid Tryptophan Metabolism 260 NAMED QIVBCDIJIAJPQS-VIFPVBQESA-N O=C(O)[C@@H](N)CC1=CNC2=C1C=CC=C2 tryptophan 73-22-3 6066 HMDB0000929 C00078 6305 Pos Early valine 566 400 1649 155438 Amino Acid Leucine, Isoleucine and Valine Metabolism 422 NAMED KZSNJWFQEVHDMF-BYPYZUCNSA-N N[C@H](C(O)=O)C(C)C valine 72-18-4 6050 HMDB0000883 C00183 6287 Pos Early betaine 799 400 3141 155487 Amino Acid Glycine, Serine and Threonine Metabolism 7 NAMED KWIUHFFTVRNATP-UHFFFAOYSA-N O=C(C[N+](C)(C)C)[O-] betaine 107-43-7 19951173,242 HMDB0000043 C00719 247 Pos Early cysteine 800 400 1868 155454 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 462 NAMED XUJNEKJLAYXESH-REOHCLBHSA-N SC[C@H](N)C(O)=O cysteine 56-89-3,52-90-4 5653 HMDB0000574 C00097 5862 Pos Early dimethylglycine 806 400 5086 155492 Amino Acid Glycine, Serine and Threonine Metabolism 6 NAMED FFDGPVCHZBVARC-UHFFFAOYSA-N CN(C)CC(O)=O dimethylglycine 1118-68-9 653 HMDB0000092 C03626 673 Pos Early alanine 811 400 1126 155351 Amino Acid Alanine and Aspartate Metabolism 29 NAMED QNAYBMKLOCPYGJ-REOHCLBHSA-N O=C(O)[C@@H](N)C alanine 56-41-7 5735 HMDB0000161 C00041 5950 Pos Early tyrosine 815 400 1299 155353 Amino Acid Tyrosine Metabolism 168 NAMED OUYCCCASQSFEME-QMMMGPOBSA-N N[C@@H](CC1=CC=C(O)C=C1)C(O)=O tyrosine 60-18-4 5833 HMDB0000158 C00082 6057 Pos Early cotinine 848 400 553 155318 Xenobiotics Tobacco Metabolite 4645 NAMED UIKROCXWUNQSPJ-VIFPVBQESA-N O=C1CC[C@@H]([C@]2=CN=CC=C2)N1C cotinine 486-56-6 746405 HMDB0001046 408 Pos Early caffeine 849 400 569 155325 Xenobiotics Xanthine Metabolism 4625 NAMED RYYVLZVUVIJVGH-UHFFFAOYSA-N O=C(N(C)C1=C2N(C)C=N1)N(C)C2=O caffeine 58-08-2 2424 HMDB0001847 C07481 2519 Pos Early thiamin (vitamin B1) 873 400 5341 155495 Cofactors and Vitamins Thiamine Metabolism 4454 NAMED OHQKBYLHTFYNQF-UHFFFAOYSA-N NC1=C(C[N+]2=CSC(CC[O-])=C2C)C=NC(C)=N1 thiamin (vitamin B1) 59-43-8 HMDB0000235 DG00125,C00378,D08580 1130 Pos Early adenine 880 400 554 155319 Nucleotide Purine Metabolism, Adenine containing 4180 NAMED GFFGJBXGBJISGV-UHFFFAOYSA-N NC1=NC=NC2=C1N=CN2 adenine 73-24-5 185 HMDB0000034 C00147 190 Pos Early cytosine 881 400 573 155326 Nucleotide Pyrimidine Metabolism, Cytidine containing 4285 NAMED OPTASPLRGRRNAP-UHFFFAOYSA-N NC1=NC(NC=C1)=O cytosine 71-30-7 577 HMDB0000630 C00380 597 Pos Early asparagine 917 400 512 155306 Amino Acid Alanine and Aspartate Metabolism 40 NAMED DCXYFEDJOCDNAF-REOHCLBHSA-N NC(C[C@H](N)C(O)=O)=O asparagine 70-47-3 6031 HMDB0000168 C00152 6267 Pos Early trans-4-hydroxyproline 1001 400 32306 155905 Amino Acid Urea cycle; Arginine and Proline Metabolism 521 NAMED PMMYEEVYMWASQN-DMTCNVIQSA-N O[C@@H]1C[C@@H](C(O)=O)NC1 hydroxyproline 51-35-4 5605 HMDB0000725 C01157 5810 Pos Early picolinate 1022 400 1512 155387 Amino Acid Tryptophan Metabolism 288 NAMED SIOXPEMLGUPBBT-UHFFFAOYSA-N O=C(O)C1=NC=CC=C1 picolinate 98-98-6 993 HMDB0002243 C10164 1018 Pos Early sarcosine 1023 400 1516 155390 Amino Acid Glycine, Serine and Threonine Metabolism 5 NAMED FSYKKLYZXJSNPZ-UHFFFAOYSA-N CNCC(O)=O sarcosine 107-97-1 1057 HMDB0000271 C00213 1088 Pos Early pipecolate 1025 400 1444 155369 Amino Acid Lysine Metabolism 134 NAMED HXEACLLIILLPRG-UHFFFAOYSA-N OC(C1NCCCC1)=O pipecolate 4043-87-2 HMDB0000070 Pos Early phosphoethanolamine 1026 400 1600 155428 Lipid Phospholipid Metabolism 2261 NAMED SUHOOTKUPISOBE-UHFFFAOYSA-N NCCOP(O)(O)=O phosphoethanolamine (PE) 1071-23-4 990 HMDB0000224 C00346 1015 Pos Early methyl indole-3-acetate 1104 400 1584 155418 Xenobiotics Food Component/Plant 4999 NAMED KTHADMDGDNYQRX-UHFFFAOYSA-N O=C(OC)CC1=CNC2=C1C=CC=C2 methyl indole-3-acetate 1912-33-0 67279 HMDB0029738 74706 Pos Early 4-acetamidobutanoate 1113 400 1558 155399 Amino Acid Polyamine Metabolism 569 NAMED UZTFMUBKZQVKLK-UHFFFAOYSA-N CC(NCCCC(O)=O)=O 4-acetamidobutanoate 3025-96-5 17180 HMDB0003681 C02946 18189 Pos Early 3-aminoisobutyrate 1114 400 1566 155405 Nucleotide Pyrimidine Metabolism, Thymine containing 4316 NAMED QCHPKSFMDHPSNR-UHFFFAOYSA-N O=C(O)C(C)CN 3-aminoisobutyrate 214139-20-5,10569-72-9 58481 HMDB0002166 C05145 64956 Pos Early gamma-glutamylglutamine 1140 400 2730 155470 Peptide Gamma-glutamyl Amino Acid 652 NAMED JBFYFLXEJFQWMU-WDSKDSINSA-N O=C(N)CC[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O gamma-glutamylglutamine 10148-81-9 133013 HMDB0011738 C05283 150914 Pos Early tigloylglycine 1161 400 1598 155427 Amino Acid Leucine, Isoleucine and Valine Metabolism 408 NAMED WRUSVQOKJIDBLP-HWKANZROSA-N O=C(O)CNC(/C(C)=C/C)=O tigloylglycine 35842-45-6 4945715 HMDB0000959 6441567 Pos Early N-acetylglucosaminylasparagine 1215 400 48149 157725 Carbohydrate Aminosugar Metabolism 1449 NAMED YTTRPBWEMMPYSW-VFFCQLMOSA-N O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](NC(CC(N)C(O)=O)=O)[C@@H]1NC(C)=O N-acetylglucosaminylasparagine 2776-93-4 21403014 HMDB0000489 C04540 123826 Pos Early acetoacetate 1218 400 33963 156059 Lipid Ketone Bodies 1959 NAMED WDJHALXBUFZDSR-UHFFFAOYSA-N O=C(CC(C)=O)O acetoacetate 3483-11-2,623-58-5 94 HMDB0000060 C00164 96 Pos Early creatine 1221 400 27718 155838 Amino Acid Creatine Metabolism 537 NAMED CVSVTCORWBXHQV-UHFFFAOYSA-N CN(C(N)=N)CC(O)=O creatine 57-00-1 566 HMDB0000064 C00300 586 Pos Early cys-gly, oxidized 1224 400 18368 155661 Amino Acid Glutathione Metabolism 587 NAMED KDJVKDYFFTWHBO-UHFFFAOYSA-N O=C(NCC(O)=O)C(N)CSSCC(N)C(NCC(O)=O)=O cys-gly, oxidized 7729-20-6 295316 333293 Pos Early gamma-glutamylhistidine 1235 400 18245 155638 Peptide Gamma-glutamyl Amino Acid 654 NAMED PXVCMZCJAUJLJP-YUMQZZPRSA-N O=C(O)[C@@H](N)CCC(N[C@@H](CC1=CNC=N1)C(O)=O)=O gamma-glutamylhistidine 37460-15-4 5380197 HMDB0029151 7017195 Pos Early N1-methyladenosine 1242 400 15650 155564 Nucleotide Purine Metabolism, Adenine containing 4186 NAMED GFYLSDSUCHVORB-IOSLPCCCSA-N N=C1C2=C(N([C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)C=N2)N=CN1C 1-methyladenosine 15763-06-1 4573813 HMDB0003331 C02494 27476 Pos Early choline 1256 400 15506 155556 Lipid Phospholipid Metabolism 2255 NAMED CRBHXDCYXIISFC-UHFFFAOYSA-N [O-]CC[N+](C)(C)C choline 67-48-1 149278 HMDB0000097 C00114 305 Pos Early anthranilate 1258 400 4970 155491 Amino Acid Tryptophan Metabolism 281 NAMED RWZYAGGXGHYGMB-UHFFFAOYSA-N OC(C1=CC=CC=C1N)=O anthranilate 118-92-3 222 HMDB0001123 C00108 227 Pos Early gamma-glutamylleucine 1268 400 18369 155662 Peptide Gamma-glutamyl Amino Acid 656 NAMED MYFMARDICOWMQP-YUMQZZPRSA-N CC(C)C[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O gamma-glutamylleucine 2566-39-4 133115 HMDB0011171 151023 Pos Early 3-methoxytyrosine 1342 400 12017 155509 Amino Acid Tyrosine Metabolism 210 NAMED PFDUUKDQEHURQC-ZETCQYMHSA-N COC1=C(O)C=CC(C[C@@H](C(O)=O)N)=C1 3-methoxytyrosine 300-48-1 8948 HMDB0001434 9307 Pos Early metoprolol 2028 400 18037 155637 Xenobiotics Drug - Cardiovascular 5684 NAMED IUBSYMUCCVWXPE-UHFFFAOYSA-N COCCC1=CC=C(OCC(O)CNC(C)C)C=C1 metoprolol 56392-17-7 4027 HMDB0001932 D02358 4171 Pos Early carnitine 100000007 400 15500 155554 Lipid Carnitine Metabolism 1955 NAMED PHIQHXFUZVPYII-ZCFIWIBFSA-N [O-]C(C[C@@H](O)C[N+](C)(C)C)=O carnitine 461-05-2 10455 HMDB0000062 C00487,C00308 288 Pos Early xanthurenate 100000015 400 15679 155571 Amino Acid Tryptophan Metabolism 284 NAMED FBZONXHGGPHHIY-UHFFFAOYSA-N OC1=C2C(C(O)=CC(C(O)=O)=N2)=CC=C1 xanthurenate 59-007 5497 HMDB0000881 C02470 5699 Pos Early methionine sulfoxide 100000039 400 18374 155665 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 447 NAMED QEFRNWWLZKMPFJ-YGVKFDHGSA-N O=C(O)[C@@H](N)CCS(C)=O methionine sulfoxide 3226-65-1 139840 HMDB0002005 C02989 158980 Pos Early 5-hydroxylysine 100000054 400 15685 155573 Amino Acid Lysine Metabolism 122 NAMED YSMODUONRAFBET-AKGZTFGVSA-N N[C@@H](CCC(O)CN)C(O)=O 5-hydroxylysine 13204-98-3 1002 HMDB0000450 C16741 3032849 Pos Early 4-guanidinobutanoate 100000096 400 15681 155572 Amino Acid Guanidino and Acetamido Metabolism 572 NAMED TUHVEAJXIMEOSA-UHFFFAOYSA-N N=C(N)NCCCC(O)=O 4-guanidinobutanoate 463-003,463-00-3 486 HMDB0003464 C01035 500 Pos Early glycerol 3-phosphate 100000258 400 43847 157058 Lipid Glycerolipid Metabolism 2868 NAMED AWUCVROLDVIAJX-UHFFFAOYSA-N O=P(O)(OCC(CO)O)O glycerol 3-phosphate 29849-82-9 734 HMDB0000126 C0093 754 Pos Early imidazole lactate 100000263 400 15716 155583 Amino Acid Histidine Metabolism 86 NAMED ACZFBYCNAVEFLC-UHFFFAOYSA-N OC(C(O)=O)CC1=CN=CN1 imidazole lactate 14403-45-3 389128 HMDB0002320 C05568 793 Pos Early kynurenine 100000265 400 15140 155539 Amino Acid Tryptophan Metabolism 273 NAMED YGPSJZOEDVAXAB-QMMMGPOBSA-N N[C@H](C(O)=O)CC(C1=CC=CC=C1N)=O kynurenine 2922-83-0 141580 HMDB0000684 C00328 161166 Pos Early glycerophosphorylcholine (GPC) 100000269 400 15990 155613 Lipid Phospholipid Metabolism 2259 NAMED SUHOQUVVVLNYQR-MRVPVSSYSA-N O=P(OCC[N+](C)(C)C)([O-])OC[C@H](O)CO glycerophosphorylcholine (GPC) 28319-77-9 571409 HMDB0000086 C00670 71920 Pos Early N-alpha-acetylornithine 100000285 400 32984 155994 Amino Acid Urea cycle; Arginine and Proline Metabolism 517 NAMED JRLGPAXAGHMNOL-LURJTMIESA-N NCCC[C@@H](C(O)=O)NC(C)=O N-alpha-acetylornithine 6205-08-9 388369 HMDB0003357 C00437 439232 Pos Early theobromine 100000445 400 18392 155668 Xenobiotics Xanthine Metabolism 4627 NAMED YAPQBXQYLJRXSA-UHFFFAOYSA-N CN1C=NC(N(C(N2)=O)C)=C1C2=O theobromine 83-67-0 5236 HMDB0002825 C07480 5429 Pos Early indolelactate 100000463 400 18349 155652 Amino Acid Tryptophan Metabolism 304 NAMED XGILAAMKEQUXLS-UHFFFAOYSA-N OC(C(O)=O)CC1=CNC2=C1C=CC=C2 indolelactate 832-97-3 83867 HMDB0000671 C02043 92904 Pos Early glycylvaline 100000487 400 18357 155655 Peptide Dipeptide 846 NAMED STKYPAFSDFAEPH-LURJTMIESA-N CC(C)[C@@H](C(O)=O)NC(CN)=O glycylvaline 1963-21-9 2006926 HMDB0028854 2724807 Pos Early gamma-glutamylphenylalanine 100000491 400 33422 156014 Peptide Gamma-glutamyl Amino Acid 660 NAMED XHHOHZPNYFQJKL-QWRGUYRKSA-N O=C(O)[C@H](CC1=CC=CC=C1)NC(CC[C@@H](C(O)=O)N)=O gamma-glutamylphenylalanine 7432-24-8 99868 HMDB0000594 111299 Pos Early ritalinic acid 100000579 400 22196 221338 Xenobiotics Drug - Neurological 5880 NAMED INGSNVSERUZOAK-UHFFFAOYSA-N O=C(O)C(C1CCCCN1)C2=CC=CC=C2 ritalinic acid 19395-41-6 78360 HMDB0042008 86863 Pos Early 1-methylguanidine 100000715 400 48114 157704 Amino Acid Guanidino and Acetamido Metabolism 571 NAMED CHJJGSNFBQVOTG-UHFFFAOYSA-N N=C(N)NC 1-methylguanidine 22661-87-6 28576 HMDB0001522 C02294 10111 Pos Early hexanoylcarnitine (C6) 100000781 400 32328 155906 Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 1867 NAMED VVPRQWTYSNDTEA-UHFFFAOYSA-N O=C(CCCCC)OC(CC([O-])=O)C[N+](C)(C)C hexanoylcarnitine (C6) 6920-35-0 4932273 HMDB0000756 6426853 Pos Early theanine 100000784 400 22206 155811 Xenobiotics Food Component/Plant 5110 NAMED DATAGRPVKZEWHA-YFKPBYRVSA-N N[C@@H](CCC(NCC)=O)C(O)=O theanine 3081-61-6 388498 HMDB0034365 C01047 439378 Pos Early acetylcarnitine (C2) 100000802 400 32198 155890 Lipid Fatty Acid Metabolism (Acyl Carnitine, Short Chain) 1863 NAMED RDHQFKQIGNGIED-MRVPVSSYSA-N C[N+](C)(C)C[C@H](OC(C)=O)CC([O-])=O acetylcarnitine (C2) 5080-50-2 5406074 HMDB0000201 C02571 7045767 Pos Early cysteine s-sulfate 100000808 400 22176 155804 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 468 NAMED NOKPBJYHPHHWAN-REOHCLBHSA-N N[C@H](C(O)=O)CSS(O)(=O)=O cysteine s-sulfate 1637-71-4 102939 HMDB0000731 C05824 115015 Pos Early HEPES 100000843 400 21248 155766 Xenobiotics Chemical 6207 NAMED JKMHFZQWWAIEOD-UHFFFAOYSA-N OCCN1CCN(CCS(O)(=O)=O)CC1 HEPES 7365-45-9 22278 23831 Pos Early trizma acetate 100000856 400 20710 155713 Xenobiotics Chemical 6249 NAMED LENZDBCJOHFCAS-UHFFFAOYSA-N NC(CO)(CO)CO trizma acetate 6850-28-8 73346 C07182 16218782 Pos Early 6-aminocaproate 100000860 400 20715 155716 Lipid Fatty Acid, Amino 1772 NAMED SLXKOJJOQWFEFD-UHFFFAOYSA-N NCCCCCC(O)=O 6-aminocaproate 60-32-2 548 HMDB0001901 C02378 564 Pos Early iminodiacetate (IDA) 100000900 400 21025 155725 Xenobiotics Chemical 6208 NAMED NBZBKCUXIYYUSX-UHFFFAOYSA-N O=C(O)CNCC(O)=O iminodiacetate (IDA) 142-73-4 8557 HMDB0011753 C19911 8897 Pos Early homoarginine 100000961 400 22137 155792 Amino Acid Urea cycle; Arginine and Proline Metabolism 501 NAMED QUOGESRFPZDMMT-YFKPBYRVSA-N N[C@H](C(O)=O)CCCCNC(N)=N homoarginine 156-86-5 8732 HMDB0000670 C01924 9085 Pos Early phenylephrine 100000962 400 27543 221340 Xenobiotics Drug - Respiratory 5992 NAMED SONNWYBIRXJNDC-SECBINFHSA-N OC1=CC([C@H](O)CNC)=CC=C1 phenylephrine 59-42-7 5818 HMDB0002182 C07441 6041 Pos Early glycylproline 100000976 400 22171 155801 Peptide Dipeptide 840 NAMED KZNQNBZMBZJQJO-YFKPBYRVSA-N O=C(O)[C@H](CCC1)N1C(CN)=O glycylproline 704-15-4 2282246 HMDB0000721 3013625 Pos Early 3-hydroxykynurenine 100000986 400 22110 155781 Amino Acid Tryptophan Metabolism 283 NAMED VCKPUUFAIGNJHC-UHFFFAOYSA-N O=C(C1=CC=CC(O)=C1N)CC(N)C(O)=O 3-hydroxykynurenine 2147-61-7 87 HMDB0000732 C02794 89 Pos Early citramalate 100000998 400 22158 155797 Amino Acid Glutamate Metabolism 65 NAMED XFTRTWQBIOMVPK-UHFFFAOYSA-N OC(CC(O)(C)C(O)=O)=O citramalate 6236-10-8 1051 HMDB0000426 C00815 1081 Pos Early N-acetylglycine 100001006 400 27710 155837 Amino Acid Glycine, Serine and Threonine Metabolism 2 NAMED OKJIRPAQVSHGFK-UHFFFAOYSA-N O=C(O)C(NC(C)=O)[H] N-acetylglycine 543-24-8 10507 HMDB0000532 10972 Pos Early butyrylcarnitine (C4) 100001054 400 32412 155935 Lipid Fatty Acid Metabolism (also BCAA Metabolism) 1791 NAMED QWYFHHGCZUCMBN-SECBINFHSA-N CCCC(O[C@H](CC([O-])=O)C[N+](C)(C)C)=O butyrylcarnitine (C4) 25576-40-3 184820 HMDB0002013 C02862 439829 Pos Early isobutyrylcarnitine (C4) 100001055 400 33441 156017 Amino Acid Leucine, Isoleucine and Valine Metabolism 432 NAMED LRCNOZRCYBNMEP-VIFPVBQESA-N CC(C)C(O[C@@H](CC([O-])=O)C[N+](C)(C)C)=O isobutyrylcarnitine (C4) 25518-49-4 HMDB0000736 168379 Pos Early 2-pyrrolidinone 100001081 400 31675 155868 Amino Acid Glutamate Metabolism 62 NAMED HNJBEVLQSNELDL-UHFFFAOYSA-N O=C1CCCN1 2-pyrrolidinone 616-45-5 11530 HMDB0002039 12025 Pos Early trigonelline (N'-methylnicotinate) 100001092 400 32401 155930 Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 4355 NAMED WWNNZCOKKKDOPX-UHFFFAOYSA-N C[N+]1=CC(C([O-])=O)=CC=C1 trigonelline (N'-methylnicotinate) 535-83-1 5369 HMDB0000875 C01004 5570 Pos Early glutamate, gamma-methyl ester 100001103 400 33487 156024 Amino Acid Glutamate Metabolism 56 NAMED ZGEYCCHDTIDZAE-UHFFFAOYSA-N O=C(CCC(C(O)=O)N)OC glutamate, gamma-methyl ester 1499-55-4,1499-55-4 66546 HMDB0061715 68662 Pos Early gamma-glutamylvaline 100001126 400 43829 157051 Peptide Gamma-glutamyl Amino Acid 664 NAMED AQAKHZVPOOGUCK-XPUUQOCRSA-N O=C(N[C@H]([C@@](O)=O)C(C)C)CC[C@@H]([C@](O)=O)N gamma-glutamylvaline 2746-34-1 HMDB0011172 7015683 Pos Early 3-methylcrotonylglycine 100001149 400 31940 155885 Amino Acid Leucine, Isoleucine and Valine Metabolism 367 NAMED PFWQSHXPNKRLIV-UHFFFAOYSA-N O=C(O)CNC(/C=C(C)/C)=O 3-methylcrotonylglycine 33008-07-0 148224 HMDB0000459 C20828 169485 Pos Early propionylcarnitine (C3) 100001162 400 32452 155955 Lipid Fatty Acid Metabolism (also BCAA Metabolism) 1794 NAMED UFAHZIUFPNSHSL-UHFFFAOYSA-N [O-]C(CC(OC(CC)=O)C[N+](C)(C)C)=O propionylcarnitine (C3) 17298-37-2 96904 HMDB0000824 C03017 107738 Pos Early pro-hydroxy-pro 100001167 400 35127 156146 Amino Acid Urea cycle; Arginine and Proline Metabolism 523 NAMED ONPXCLZMBSJLSP-ALKRTJFJSA-N OC([C@H]1N(C([C@H]2NCCC2)=O)CC(O)C1)=O prolylhydroxyproline 18684-24-7 9847785 HMDB0006695 11902893 Pos Early 4-imidazoleacetate 100001207 400 32349 155910 Amino Acid Histidine Metabolism 100 NAMED PRJKNHOMHKJCEJ-UHFFFAOYSA-N O=C(O)CC1=CNC=N1 4-imidazoleacetate 645-65-8 86856 HMDB0002024 C02835 96215 Pos Early 1-methyl-4-imidazoleacetate 100001208 400 32350 155911 Amino Acid Histidine Metabolism 94 NAMED ZHCKPJGJQOPTLB-UHFFFAOYSA-N O=C(O)CC1=CN(C)C=N1 1-methyl-4-imidazoleacetate 2625-49-2 68319 HMDB0002820 C05828 75810 Pos Early N-acetylarginine 100001266 400 33953 156051 Amino Acid Urea cycle; Arginine and Proline Metabolism 507 NAMED SNEIUMQYRCDYCH-LURJTMIESA-N O=C(O)[C@@H](NC(C)=O)CCCNC(N)=N N-acetylarginine 155-84-0 60752 HMDB0004620 C02562 67427 Pos Early N-acetylhistidine 100001293 400 33946 156044 Amino Acid Histidine Metabolism 76 NAMED KBOJOGQFRVVWBH-ZETCQYMHSA-N OC([C@@H](NC(C)=O)CC1=CNC=N1)=O N-acetylhistidine 39145-52-3 68142 HMDB0032055 C02997 75619 Pos Early gamma-glutamylglycine 100001294 400 33949 156047 Peptide Gamma-glutamyl Amino Acid 653 NAMED ACIJGUBIMXQCMF-BYPYZUCNSA-N O=C(O)[C@@H](N)CCC(NCC(O)=O)=O gamma-glutamylglycine 1948-29-4 145071 HMDB0011667 100099 Pos Early gamma-glutamyltryptophan 100001295 400 33947 156045 Peptide Gamma-glutamyl Amino Acid 662 NAMED CATMPQFFVNKDEY-AAEUAGOBSA-N O=C(O)[C@@H](N)CCC(N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O)=O gamma-glutamyltryptophan 66471-20-3 2302065 HMDB0029160 3989307 Pos Early stachydrine 100001296 400 34384 156088 Xenobiotics Food Component/Plant 5099 NAMED CMUNUTVVOOHQPW-LURJTMIESA-N C[N+]1(C)[C@H]([C@@]([O-])=O)CCC1 stachydrine 4136-37-2 103115 HMDB0004827 C10172 115244 Pos Early hydroxybupropion 100001309 400 32882 155992 Xenobiotics Drug - Psychoactive 5904 NAMED RCOBKSKAZMVBHT-NCWAPJAISA-N CC1[C@@](OCC(C)(C)N1)(O)[C@]2=CC(Cl)=CC=C2 hydroxybupropion 21403106 HMDB0012235 446 Pos Early nicotinamide riboside 100001310 400 33013 155997 Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 4340 NAMED BUCXGWMZJBKEMD-UHFFFAOYSA-N NC(C1=C[N+](C2C(C(C(C[O-])O2)O)O)=CC=C1)=O nicotinamide riboside 1341-23-7 HMDB0000855 C03150 439924 Pos Early gamma-glutamylmethionine 100001313 400 44872 157084 Peptide Gamma-glutamyl Amino Acid 659 NAMED RQNSKRXMANOPQY-BQBZGAKWSA-N O=C(O)[C@H](CCSC)NC(CC[C@@H](C(O)=O)N)=O gamma-glutamylmethionine 17663-87-5 5373147 HMDB0029155 7009567 Pos Early gamma-glutamylthreonine 100001314 400 33364 156009 Peptide Gamma-glutamyl Amino Acid 661 NAMED GWNXFCYUJXASDX-JUZNGCLZSA-N CC(O)[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O gamma-glutamylthreonine 5652-48-2 21403107 HMDB0029159 76078708 Pos Early N-acetylproline 100001334 400 34387 156090 Amino Acid Urea cycle; Arginine and Proline Metabolism 513 NAMED GNMSLDIYJOSUSW-UHFFFAOYSA-N O=C(O)C(CCC1)N1C(C)=O N-acetylproline 1074-79-9 285677 HMDB0094701 322640 Pos Early metoprolol acid metabolite* 100001385 400 34109 156073 Xenobiotics Drug - Cardiovascular 5685 NAMED PUQIRTNPJRFRCZ-UHFFFAOYSA-N CC(C)NCC(O)COC1=CC=C(CC(O)=O)C=C1 metoprolol acid metabolite* 56392-14-4 56653 62936 Pos Early isovalerylcarnitine (C5) 100001393 400 34407 156109 Amino Acid Leucine, Isoleucine and Valine Metabolism 360 NAMED IGQBPDJNUXPEMT-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CC(C)C)=O)=O isovalerylcarnitine (C5) 31023-24-2 4932271 HMDB0000688 C20826 169235 Pos Early 7-methylxanthine 100001396 400 34390 156093 Xenobiotics Xanthine Metabolism 4637 NAMED PFWLFWPASULGAN-UHFFFAOYSA-N OC1=C(N2C)C(N=C2)=NC(O)=N1 7-methylxanthine 552-62-5 61660 HMDB0001991 C16353 68374 Pos Early 1-methylurate 100001400 400 34395 156098 Xenobiotics Xanthine Metabolism 4629 NAMED QFDRTQONISXGJA-UHFFFAOYSA-N CN1C(NC(N2)=C(C1=O)NC2=O)=O 1-methylurate 708-79-2 62926 HMDB0003099 C16359 69726 Pos Early N1-methylinosine 100001409 400 48351 179271 Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 4159 NAMED WJNGQIYEQLPJMN-UHFFFAOYSA-N OC(C1O)C(OC1CO)N(C=N2)C(N=CN3C)=C2C3=O N1-methylinosine 20245-33-4 513976 HMDB0002721 650095 Pos Early beta-guanidinopropanoate 100001411 400 35101 156136 Xenobiotics Food Component/Plant 4863 NAMED KMXXSJLYVJEBHI-UHFFFAOYSA-N OC(CCNC(N)=N)=O beta-guanidinopropanoate 353-09-3 61020 HMDB0013222 C03065 67701 Pos Early N2,N2-dimethylguanosine 100001412 400 35137 156155 Nucleotide Purine Metabolism, Guanine containing 4225 NAMED RSPURTUNRHNVGF-IOSLPCCCSA-N O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N(C)C)N1 N2,N2-dimethylguanosine 2140-67-2 83878 HMDB0004824 135501639 Pos Early phenylacetylglutamine 100001417 400 35126 156145 Peptide Acetylated Peptides 1205 NAMED JFLIEFSWGNOPJJ-JTQLQIEISA-N O=C(CC1=CC=CC=C1)N[C@@H](CCC(N)=O)C(O)=O phenylacetylglutamine 28047-15-6 270643 HMDB0006344 C04148 92258 Pos Early 3-methylcytidine 100001466 400 35132 156151 Nucleotide Pyrimidine Metabolism, Cytidine containing 4287 NAMED RDPUKVRQKWBSPK-ZOQUXTDFSA-N O[C@]([C@@]1(O)[H])([C@](O[C@](CO)1[H])([H])N2C=CC(N(C)C2=O)=N)[H] 3-methylcytidine 21028-20-6 9164190 HMDB0240577 14237477 Pos Early gamma-glutamylisoleucine* 100001485 400 34456 156123 Peptide Gamma-glutamyl Amino Acid 655 NAMED SNCKGJWJABDZHI-SIPWABPFSA-N CCC(C)[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O gamma-glutamylisoleucine* 21403145 HMDB0011170 22885096 Pos Early gamma-glutamyl-2-aminobutyrate 100001502 400 37092 156314 Peptide Gamma-glutamyl Amino Acid 667 NAMED FUZOZPRKGAXGOB-UHFFFAOYSA-N O=C(O)C(CCC(NC(CC)C(O)=O)=O)N gamma-glutamyl-2-aminobutyrate 16869-42-4 21403151 Pos Early 2-methylbutyrylcarnitine (C5) 100001509 400 45095 157090 Amino Acid Leucine, Isoleucine and Valine Metabolism 403 NAMED IHCPDBBYTYJYIL-UHFFFAOYSA-N CCC(C)C(OC(CC([O-])=O)C[N+](C)(C)C)=O 2-methylbutyrylcarnitine (C5) 31023-25-3 4932320 HMDB0000378 6426901 Pos Early lidocaine 100001538 400 35661 156219 Xenobiotics Drug - Analgesics, Anesthetics 5464 NAMED NNJVILVZKWQKPM-UHFFFAOYSA-N CC1=CC=CC(C)=C1NC(CN(CC)CC)=O lidocaine 137-58-6 3548 HMDB0014426 D00358 3676 Pos Early N-ethylglycinexylidide 100001539 400 33080 156000 Xenobiotics Drug - Analgesics, Anesthetics 5465 NAMED WRMRXPASUROZGT-UHFFFAOYSA-N CC1=CC=CC(C)=C1NC(CNCC)=O N-ethylglycinexylidide 7728-40-7 22824 HMDB0060656 C16561 24415 Pos Early 2-amino-4-cyanobutanoate 100001540 400 46225 157124 Amino Acid Glutamate Metabolism 72 NAMED O=C(C(CCC#N)N)O 2-amino-4-cyanobutanoate 2353-44-8 Pos Early homostachydrine* 100001550 400 33009 155996 Xenobiotics Food Component/Plant 4968 NAMED XULZWQRXYTVUTE-ZETCQYMHSA-N C[N+]1(C)[C@@H](CCCC1)[C@]([O-])=O homostachydrine* 1195-94-4 390180 HMDB0033433 C08283 441447 Pos Early glutarylcarnitine (C5-DC) 100001593 400 44664 157075 Amino Acid Lysine Metabolism 130 NAMED NXJAXUYOQLTISD-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCCC(O)=O)=O)=O glutarylcarnitine (C5-DC) 102636-82-8 21403175 HMDB0013130 71317118 Pos Early beta-hydroxyisovaleroylcarnitine 100001594 400 35433 156184 Amino Acid Leucine, Isoleucine and Valine Metabolism 370 NAMED IGLHHSKNBDXCEY-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CC(O)(C)C)=O)=O beta-hydroxyisovaleroylcarnitine 99159-87-2 21403176 Pos Early 2-methylmalonylcarnitine (C4-DC) 100001596 400 35482 156193 Lipid Fatty Acid Metabolism (also BCAA Metabolism) 1798 NAMED XROYFEWIXXCPAW-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(C(C)C(O)=O)=O)=O 2-methylmalonylcarnitine (C4-DC) 149181-64-6 21403178 HMDB0013133 53481628 Pos Early tiglylcarnitine (C5:1-DC) 100001597 400 35428 156182 Amino Acid Leucine, Isoleucine and Valine Metabolism 406 NAMED WURBQCVBQNMUQT-RMKNXTFCSA-N [O-]C(CC(C[N+](C)(C)C)OC(/C(C)=C/C)=O)=O tiglyl carnitine (C5) 64191-86-2 17216200 HMDB0002366 22833596 Pos Early N-acetyl-aspartyl-glutamate (NAAG) 100001612 400 35665 156223 Amino Acid Glutamate Metabolism 57 NAMED OPVPGKGADVGKTG-UHFFFAOYSA-N CC(NC(C(NC(CCC(O)=O)C(O)=O)=O)CC(O)=O)=O N-acetyl-aspartyl-glutamate (NAAG) 3106-85-2 5065 HMDB0001067 C12270 188803 Pos Early glycerophosphoethanolamine 100001620 400 37455 156380 Lipid Phospholipid Metabolism 2263 NAMED JZNWSCPGTDBMEW-UHFFFAOYSA-N O=P(OCCN)(O)OCC(CO)O glycerophosphoethanolamine 33049-08-0 110410 HMDB0000114 C01233 123874 Pos Early ectoine 100001635 400 35651 156211 Xenobiotics Chemical 6198 NAMED WQXNXVUDBPYKBA-YFKPBYRVSA-N O=[C@](O)[C@H]1N=C(C)NCC1 ectoine 96702-03-3 112069 HMDB0240650 C06231 126041 Pos Early deoxycarnitine 100001662 400 36747 156251 Lipid Carnitine Metabolism 1954 NAMED JHPNVNIEXXLNTR-UHFFFAOYSA-N C[N+](C)(C)CCCC([O-])=O deoxycarnitine 6249-56-5 705 HMDB0001161 C01181 22620 Pos Early 1-ribosyl-imidazoleacetate* 100001668 400 61868 218616 Amino Acid Histidine Metabolism 99 NAMED AHPWEWASPTZMEK-UHFFFAOYSA-N OCC(O1)C(O)C(O)C1N2C=NC(CC(O)=O)=C2 1-ribosyl-imidazoleacetate* 29605-99-0 4292299 HMDB0002331 C05131 440569 Pos Early tryptophan betaine 100001743 400 37097 156317 Amino Acid Tryptophan Metabolism 270 NAMED AOHCBEAZXHZMOR-ZDUSSCGKSA-N O=C([O-])[C@@H]([N@+](C)(C)C)CC1=CNC2=C1C=CC=C2 tryptophan betaine 20671-76-5 390633 HMDB0061115 C09213 442106 Pos Early N6-carboxymethyllysine 100001768 400 36713 156246 Carbohydrate Advanced Glycation End-product 1454 NAMED NUXSIDPKKIEIMI-UHFFFAOYSA-N OC(CNCCCCC(C(O)=O)N)=O N6-carboxymethyllysine 5746-04-3 11217184 HMDB0240347 123800 Pos Early 3-(cystein-S-yl)acetaminophen* 100001797 400 34365 156081 Xenobiotics Drug - Analgesics, Anesthetics 5425 NAMED LLHICPSCVFRWDT-UHFFFAOYSA-N CC(NC1=CC=C(O)C(SCC(C(O)=O)N)=C1)=O 3-(cystein-S-yl)acetaminophen* 53446-10-9 4403253 HMDB0240217 171264 Pos Early dimethylarginine (SDMA + ADMA) 100001810 400 36808 156271 Amino Acid Urea cycle; Arginine and Proline Metabolism 506 NAMED YDGMGEXADBMOMJ-LURJTMIESA-N N[C@@H](CCCNC(N(C)C)=N)C(O)=O dimethylarginine (ADMA + SDMA) 102783-24-4 110375 HMDB0003334,HMDB0001539 C21189,C03626 123831,169148 Pos Early gamma-glutamylalanine 100001843 400 37063 156289 Peptide Gamma-glutamyl Amino Acid 649 NAMED WQXXXVRAFAKQJM-WHFBIAKZSA-N C[C@H](NC(CC[C@H](N)C(O)=O)=O)C(O)=O gamma-glutamylalanine 5875-41-2 389104 HMDB0029142 C03738 440103 Pos Early cyclo(leu-pro) 100001925 400 37104 156323 Peptide Dipeptide 779 NAMED SZJNCZMRZAUNQT-IUCAKERBSA-N O=C(N[C@H]1CC(C)C)[C@H]2N(CCC2)C1=O cyclo(leu-pro) 2873-36-1 5428292 HMDB0034276 7074739 Pos Early cyclo(gly-pro) 100001946 400 37077 156299 Peptide Dipeptide 762 NAMED OWOHLURDBZHNGG-YFKPBYRVSA-N O=C(NC1)[C@H](CCC2)N2C1=O cyclo(gly-pro) 3705-27-9 112149 193540 Pos Early succinylcarnitine (C4-DC) 100001948 400 37058 156287 Energy TCA Cycle 1466 NAMED HAEVNYBCYZZDFL-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCC(O)=O)=O)=O succinylcarnitine (C4-DC) 256928-74-2 28639166 HMDB0061717 71464481 Pos Early N-methylproline 100001956 400 37431 156358 Amino Acid Urea cycle; Arginine and Proline Metabolism 526 NAMED CWLQUGTUXBXTLF-UHFFFAOYSA-N O=C(O)C1N(C)CCC1 N-methylproline 475-11-6 541 HMDB0094696 643474 Pos Early 2-hydroxyglutarate 100002070 400 37253 156347 Lipid Fatty Acid, Dicarboxylate 1686 NAMED HWXBTNAVRSUOJR-UHFFFAOYSA-N O=C(O)CCC(O)C(O)=O 2-hydroxyglutarate 40951-21-1 42 HMDB0059655 C02630 43 Pos Early 5-methylthioribose** 100002103 400 62100 218945 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 454 NAMED OLVVOVIFTBSBBH-UHFFFAOYSA-N OC1C(O)C(O)C(CSC)O1 5-methylthioribose** 23656-67-9 480 HMDB0001087 6419710 Pos Early cysteine sulfinic acid 100002113 400 37443 156369 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 475 NAMED ADVPTQAUNPRNPO-UHFFFAOYSA-N O=C(C(CS(O)=O)N)O cysteine sulfinic acid 207121-48-0 107 HMDB0000996 C00606 109 Pos Early N1,N12-diacetylspermine 100002132 400 52987 166226 Amino Acid Polyamine Metabolism 563 NAMED NPDTUDWGJMBVEP-UHFFFAOYSA-N CC(NCCCNCCCCNCCCNC(C)=O)=O N1,N12-diacetylspermine 61345-83-3 117134 HMDB0002172 C03413 132680 Pos Early ergothioneine 100002154 400 37459 156384 Xenobiotics Food Component/Plant 4928 NAMED SSISHJJTAXXQAX-UHFFFAOYSA-N S=C1NC(CC(C([O-])=O)[N+](C)(C)C)=CN1 ergothioneine 58511-63-0 2297320 HMDB0003045 C05570 5351619 Pos Early S-methylmethionine 100002183 400 38127 156445 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 445 NAMED YDBYJHTYSHBBAU-UHFFFAOYSA-N NC(CC[S+](C)C)C([O-])=O S-methylmethionine 3493-12-7 8351775 HMDB0038670 C05319 458 Pos Early 7-methylurate 100002241 400 39598 156601 Xenobiotics Xanthine Metabolism 4630 NAMED YHNNPKUFPWLTOP-UHFFFAOYSA-N CN(C1=C(N2)NC(NC1=O)=O)C2=O 7-methylurate 612-37-3 62375 HMDB0011107 C16355 69160 Pos Early S-carboxymethyl-cysteine 100002324 400 47897 157694 Xenobiotics Drug - Other 6031 NAMED GBFLZEXEOZUWRN-UHFFFAOYSA-N OC(CSCC(N)C(O)=O)=O S-carboxymethyl-cysteine 638-23-3 1050 HMDB0029415 C03727 193653 Pos Early fosfomycin 100002332 400 38120 156440 Xenobiotics Drug - Antibiotic 5574 NAMED YMDXZJFXQJVXBF-UHFFFAOYSA-N CC1C(O1)P(O)(O)=O fosfomycin 26016-99-9 3299 HMDB0014966 D04253,C06454 446987 Pos Early dexpanthenol 100002376 400 38314 156499 Xenobiotics Chemical 6194 NAMED SNPLKNRPJHDVJA-UHFFFAOYSA-N OCC(C)(C)C(O)C(NCCCO)=O dexpanthenol 16485-10-2 4516 HMDB0004231 D03726 4678 Pos Early metformin 100002405 400 38306 156492 Xenobiotics Drug - Metabolic 5797 NAMED XZWYZXLIPXDOLR-UHFFFAOYSA-N N=C(N(C)C)NC(N)=N metformin 1115-70-4 3949 HMDB0001921 C07151 4091 Pos Early 3-hydroxyquinine 100002410 400 43496 157018 Xenobiotics Drug - Antibiotic 5563 NAMED BSRUJCFCZKMFMB-YGHPHNMRSA-N COC1=CC=C(N=CC=C2[C@H]([C@]3(N(C[C@@]4(C=C)O)CC[C@@]4([H])C3)[H])O)C2=C1 3-hydroxyquinine 78549-61-8 138373 HMDB0001091 C07344 157225 Pos Early 5-(galactosylhydroxy)-lysine 100002462 400 43582 208402 Amino Acid Lysine Metabolism 123 NAMED OWGKYELXGFKIHH-MYLOADSESA-N O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OC(CCC(N)C(O)=O)CN 5-(galactosylhydroxy)-lysine 32448-36-5 66995551 Pos Early cysteinylglycine disulfide* 100002466 400 62103 218949 Amino Acid Glutathione Metabolism 586 NAMED ZHRLECIZINSPKL-AKGZTFGVSA-N OC(CNC(C(N)CSSC[C@@H](C(O)=O)N)=O)=O cysteinylglycine disulfide* 70555-24-7 17215992 HMDB0000709 22833544 Pos Early formiminoglutamate 100002500 400 43493 157017 Amino Acid Histidine Metabolism 84 NAMED NRXIKWMTVXPVEF-BYPYZUCNSA-N OC([C@@H](NC=N)CCC(O)=O)=O formiminoglutamate 816-90-0 388370 HMDB0000854 C00439 439233 Pos Early 4-hydroxyglutamate 100002544 400 40499 156749 Amino Acid Glutamate Metabolism 53 NAMED HBDWQSHEVMSFGY-SCQFTWEKSA-N OC(C(O)=O)C[C@@H](C(O)=O)N 4-hydroxyglutamate 2485-33-8 388936 HMDB0001344 C03079 439902 Pos Early gamma-carboxyglutamate 100002679 400 38754 156574 Amino Acid Glutamate Metabolism 55 NAMED UHBYWPGGCSDKFX-UHFFFAOYSA-N OC(C(C(O)=O)CC(C(O)=O)N)=O gamma-carboxyglutamate 56271-99-9 37241 HMDB0041900 40772 Pos Early norcotinine 100002715 400 57782 213835 Xenobiotics Tobacco Metabolite 4654 NAMED FXFANIORDKRCCA-UHFFFAOYSA-N O=C1CCC(N1)C2=CN=CC=C2 norcotinine 17114-40-8 400 HMDB0001297 413 Pos Early hydroxycotinine 100002717 400 38661 156555 Xenobiotics Tobacco Metabolite 4646 NAMED XOKCJXZZNAUIQN-IENPIDJESA-N O=C1N(C)[C@H]([C@]2=CN=CC=C2)CC1O hydroxycotinine 34834-67-8 8395266 HMDB0001390 107963 Pos Early atenolol 100002726 400 38658 156554 Xenobiotics Drug - Cardiovascular 5690 NAMED METKIMKYRPQLGS-UHFFFAOYSA-N OC(COC1=CC=C(CC(N)=O)C=C1)CNC(C)C atenolol 29122-68-7 2162 HMDB0001924 D00235 2249 Pos Early ranitidine 100002735 400 38595 156522 Xenobiotics Drug - Gastrointestinal 5783 NAMED VMXUWOKSQNHOCA-UKTHLTGXSA-N [O-][N+](/C=C(NC)/NCCSCC1=CC=C(CN(C)C)O1)=O ranitidine 66357-59-3 2272523 HMDB0001930 D00422 3001055 Pos Early argininate* 100002769 400 57461 211115 Amino Acid Urea cycle; Arginine and Proline Metabolism 530 NAMED BMFMQGXDDJALKQ-BYPYZUCNSA-N N=C(N)NCCC[C@H](O)C(O)=O argininate* 157-07-3 140984 HMDB0003148 160437 Pos Early 2-oxoarginine* 100002784 400 55072 208196 Amino Acid Urea cycle; Arginine and Proline Metabolism 499 NAMED ARBHXJXXVVHMET-UHFFFAOYSA-N OC(C(CCC/N=C(N)/N)=O)=O 2-oxoarginine* 3715-10-4 542 HMDB0004225 C03771 558 Pos Early 1-methyl-5-imidazoleacetate 100002910 400 62946 220814 Amino Acid Histidine Metabolism 95 NAMED UJCGYTCAMOHYCG-UHFFFAOYSA-N O=C(O)CC1=CN=CN1C 1-methyl-5-imidazoleacetate 4200-48-0 4954265 HMDB04988 6451814 Pos Early S-methylcysteine sulfoxide 100002927 400 43378 211502 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 465 NAMED ZZLHPCSGGOGHFW-UHFFFAOYSA-N NC(CS(C)=O)C(O)=O S-methylcysteine sulfoxide 6853-87-8 74136 HMDB0029432 82142 Pos Early benzoylecgonine 100002928 400 39678 156626 Xenobiotics Drug - Analgesics, Anesthetics 5472 NAMED GVGYEFKIHJTNQZ-CLRIEMFWSA-N O=C(O[C@H]1CC2CCC(N2C)[C@H]1[C@@](O)=O)C3=CC=CC=C3 benzoylecgonine 519-09-5 391300 HMDB0041836 C10847 448223 Pos Early quinine 100002968 400 39767 156636 Xenobiotics Drug - Antibiotic 5564 NAMED LOUPRKONTZGTKE-WGFDLZGGSA-N COC1=CC2=C(N=CC=C2[C@@H](O)C3N(CC4C=C)CCC4C3)C=C1 quinine 130-95-0 2010267 HMDB0014611 C06526 3034034 Pos Early N-methyl-GABA 100003152 400 39577 156583 Amino Acid Glutamate Metabolism 61 NAMED AOKCDAVWJLOAHG-UHFFFAOYSA-N CNCCCC(O)=O N-methyl-GABA 1119-48-8 63869 C15987 70703 Pos Early leucylalanine 100003179 400 40010 156665 Peptide Dipeptide 884 NAMED HSQGMTRYSIHDAC-UHFFFAOYSA-N O=C(C(CC(C)C)N)NC(C)C(O)=O leucylalanine 7298-84-2 227625 HMDB0028922 81721 Pos Early leucylglycine 100003185 400 40045 156684 Peptide Dipeptide 889 NAMED LESXFEZIFXFIQR-UHFFFAOYSA-N O=C(C(CC(C)C)N)NCC(O)=O leucylglycine 686-50-0 71402 HMDB0028929 79070 Pos Early valylleucine 100003210 400 39994 156660 Peptide Dipeptide 1054 NAMED XCTHZFGSVQBHBW-UHFFFAOYSA-N O=C(C(C(C)C)N)NC(CC(C)C)C(O)=O valylleucine 22906-55-4 312586 HMDB0029131 352039 Pos Early carboxyethyl-GABA 100003260 400 40007 161438 Amino Acid Glutamate Metabolism 60 NAMED SRGQUICKDUQCKO-UHFFFAOYSA-N O=C(CCCNCCC(O)=O)O carboxyethyl-GABA 4386-03-2 2474 HMDB0002201 2572 Pos Early trimethylamine N-oxide 100003397 400 40406 156717 Lipid Phospholipid Metabolism 2266 NAMED UYPYRKYUKCHHIB-UHFFFAOYSA-N C[N+](C)([O-])C trimethylamine N-oxide 1184-78-7 1113 HMDB0000925 C01104 1145 Pos Early N6-methyllysine 100003415 400 62860 220638 Amino Acid Lysine Metabolism 117 NAMED PQNASZJZHFPQLE-LURJTMIESA-N O=C([C@H](CCCCNC)N)O N6-methyllysine 1188-07-4 144469 HMDB0002038 C02728 164795 Pos Early cis-urocanate 100003425 400 40410 156719 Amino Acid Histidine Metabolism 82 NAMED LOIYMIARKYCTBW-UPHRSURJSA-N O=C(/C=CC1=CN=CN1)O cis-urocanate 7699-35-6 1266070 HMDB0034174 1549103 Pos Early imidazole propionate 100003434 400 40730 156802 Amino Acid Histidine Metabolism 83 NAMED ZCKYOWGFRHAZIQ-UHFFFAOYSA-N OC(CCC1=CN=CN1)=O imidazole propionate 1074-59-5 63798 HMDB0002271 70630 Pos Early mirtazapine 100003450 400 40437 221354 Xenobiotics Drug - Psychoactive 5928 NAMED RONZAEMNMFQXRA-UHFFFAOYSA-N CN(CC1)CC(C2=C(C3)C=CC=C2)N1C4=C3C=CC=N4 mirtazapine 61337-67-5 4060 HMDB0014514 C07570 4205 Pos Early alliin 100003473 400 41494 156849 Xenobiotics Food Component/Plant 4851 NAMED XUHLIQGRKRUKPH-ITZCMCNPSA-N C=CCS(C[C@H](N)C(O)=O)=O alliin 556-27-4 78760 HMDB0033592 C08265 87310 Pos Early valylglycine 100003641 400 40475 156743 Peptide Dipeptide 1051 NAMED IOUPEELXVYPCPG-UHFFFAOYSA-N O=C(C(C(C)C)N)NCC(O)=O valylglycine 686-43-1 120256 HMDB0029127 136487 Pos Early prolylglycine 100003674 400 40703 156791 Peptide Dipeptide 964 NAMED RNKSNIBMTUYWSH-YFKPBYRVSA-N O=[C@]([C@H]1NCCC1)NCC(O)=O prolylglycine 2578-57-6 4932143 HMDB0011178 6426709 Pos Early 3-hydroxyindolin-2-one 100003823 400 42561 156923 Xenobiotics Food Component/Plant 4827 NAMED SGZFJWQQBHYNNF-UHFFFAOYSA-N O=C(N1)C(O)C2=C1C=CC=C2 3-hydroxyindolin-2-one 61-71-2 5872 C11130 6097 Pos Early lanthionine 100003892 400 42002 156875 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 473 NAMED DWPCPZJAHOETAG-IMJSIDKUSA-N O=C([C@H](CSC[C@@H](C(O)=O)N)N)O lanthionine 3183-08-2 88959 98504 Pos Early (R)-3-hydroxybutyrylcarnitine 100003926 400 43264 156990 Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 1942 NAMED UEFRDQSMQXDWTO-UHFFFAOYSA-N CC(CC(OC(C[N+](C)(C)C)CC([O-])=O)=O)O (R)-3-hydroxybutyrylcarnitine HMDB0013127 53481617 Pos Early doxylamine 100003965 400 43024 221378 Xenobiotics Drug - Respiratory 5980 NAMED HCFDWZZGGLSKEP-UHFFFAOYSA-N CN(C)CCOC(C1=CC=CC=C1)(C)C2=NC=CC=C2 doxylamine 562-10-7 3050 HMDB0001936 D07878 3162 Pos Early triamterene 100003968 400 42593 156938 Xenobiotics Drug - Cardiovascular 5713 NAMED FNYLWPVRPXGIIP-UHFFFAOYSA-N NC1=NC(N)=C2N=C(C(N)=NC2=N1)C3=CC=CC=C3 triamterene 396-01-0 5345 HMDB0001940 D00386 5546 Pos Early histidine betaine (hercynine)* 100004059 400 62278 219251 Xenobiotics Food Component/Plant 4966 NAMED GPPYTCRVKHULJH-UHFFFAOYSA-N C[N+](C)(C(C([O-])=O)CC1=CN=CN1)C histidine betaine (hercynine)* 534-30-5 2340795 HMDB0029422 3083620 Pos Early O-desmethylvenlafaxine 100004173 400 43334 156997 Xenobiotics Drug - Psychoactive 5907 NAMED KYYIDSXMWOZKMP-UHFFFAOYSA-N CN(CC(C1(CCCCC1)O)C2=CC=C(C=C2)O)C O-desmethylvenlafaxine 300827-87-6 111300 HMDB0015646 D07793 125017 Pos Early zolpidem 100004174 400 62976 221394 Xenobiotics Drug - Psychoactive 5938 NAMED ZAFYATHCZYHLPB-UHFFFAOYSA-N CN(C(CC1=C(C2=CC=C(C=C2)C)N=C3C=CC(C)=CN13)=O)C zolpidem 82626-48-0 HMDB0005023 C07219 5732 Pos Early dimethyl sulfone 100004284 400 43424 157011 Xenobiotics Chemical 6196 NAMED HHVIBTZHLRERCL-UHFFFAOYSA-N CS(C)(=O)=O dimethyl sulfone 67-71-0 5978 HMDB0004983 C11142 6213 Pos Early 2-piperidinone 100004295 400 43400 157005 Xenobiotics Food Component/Plant 4671 NAMED XUWHAWMETYGRKB-UHFFFAOYSA-N O=C1CCCCN1 2-piperidinone 675-20-7 12144 HMDB0011749 12665 Pos Early N-acetyl-1-methylhistidine* 100004299 400 43255 156987 Amino Acid Histidine Metabolism 79 NAMED GVRCKHXHWSYDEF-UHFFFAOYSA-N OC(C(CC1=CN(C)C=N1)NC(C)=O)=O N-acetyl-1-methylhistidine* HMDB0240340 53859791 Pos Early indolin-2-one 100004318 400 43374 157003 Xenobiotics Food Component/Plant 4973 NAMED JYGFTBXVXVMTGB-UHFFFAOYSA-N O=C1CC2=C(N1)C=CC=C2 indolin-2-one 59-48-3 284794 C12312 321710 Pos Early 2-aminoheptanoate 100004542 400 43761 157045 Lipid Fatty Acid, Amino 1773 NAMED RDFMDVXONNIGBC-UHFFFAOYSA-N OC(C(CCCCC)N([H])[H])=O 2-aminoheptanoate 1115-90-8 198338 HMDB0094649 227939 Pos Early benzoylcarnitine* 100004555 400 43265 156991 Xenobiotics Chemical 6233 NAMED AWUHAZDZHNWQAG-UHFFFAOYSA-N O=C(C1=CC=CC=C1)OC(C[N+](C)(C)C)CC([O-])=O benzoylcarnitine* 105450-08-6 28689447 Pos Early methionine sulfone 100004635 400 44878 157087 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 446 NAMED UCUNFLYVYCGDHP-UHFFFAOYSA-N O=S(C)(CCC(N)C(O)=O)=O methionine sulfone 820-10-0 63154 HMDB0062174 69961 Pos Early N-acetylalliin 100005367 400 45404 157091 Xenobiotics Food Component/Plant 4852 NAMED CCCNUHFRBBIFHO-CVSPRKDYSA-N C=CCS(C[C@H](NC(C)=O)C(O)=O)=O N-acetylalliin Pos Early fructosyllysine 100005373 400 46227 221883 Amino Acid Lysine Metabolism 124 NAMED BFSYFTQDGRDJNV-QCNRFFRDSA-N OC[C@@H](O)[C@@H](O)[C@H](O)C(CNCCCC[C@@H](N)C(O)=O)=O fructosyllysine 21291-40-7 110281 HMDB0034879 9839580 Pos Early N-methylpipecolate 100005383 400 47101 157354 Xenobiotics Bacterial/Fungal 5365 NAMED BPSLZWSRHTULGU-ZCFIWIBFSA-N CN1[C@@H](C(O)=O)CCCC1 N-methylpipecolate 41447-17-0 9461516 11286529 Pos Early oxycodone 100005837 400 52365 165219 Xenobiotics Drug - Analgesics, Anesthetics 5483 NAMED BRUQQQPBMZOVGD-XFKAJCMBSA-N O[C@@]([C@]1([H])N(C)CC2)(CCC3=O)[C@@]2(C4=C(C=C5)C1)[C@@]3([H])OC4=C5OC oxycodone 76-42-6 4447649 HMDB0014640 D05312,C08018,DG00813 5284603 Pos Early 3-methylglutarylcarnitine (2) 100005850 400 46548 157257 Amino Acid Leucine, Isoleucine and Valine Metabolism 381 NAMED HFCPFJNSBPQJDP-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CC(C)CC(O)=O)=O)=O 3-methylglutarylcarnitine (2) 113619 HMDB0000552 128145 Pos Early cyclo(pro-val) 100006065 400 49795 161671 Peptide Dipeptide 800 NAMED XLUAWXQORJEMBD-UHFFFAOYSA-N O=C(C(C(C)C)N([H])C1=O)N2C1CCC2 cyclo(pro-val) 2854-40-2 89376 98951 Pos Early phenylacetylcarnitine 100006108 400 48425 157774 Peptide Acetylated Peptides 1202 NAMED DZTZJNGATJMDSH-CYBMUJFWSA-N O=C(CC1=CC=CC=C1)O[C@H](CC([O-])=O)C[N+](C)(C)C phenylacetylcarnitine 287108-21-8 101724840 Pos Early N-carbamoylalanine 100006369 400 52340 164887 Amino Acid Alanine and Aspartate Metabolism 35 NAMED LUSWEUMSEVLFEQ-UHFFFAOYSA-N O=C(C(C)NC(N)=O)O N-carbamoylalanine 77340-50-2 377278 426409 Pos Early tramadol 100006381 400 53241 179295 Xenobiotics Drug - Analgesics, Anesthetics 5478 NAMED TVYLLZQTGLZFBW-ZBFHGGJFSA-N CN(C[C@H]1CCCC[C@]1(O)C2=CC(OC)=CC=C2)C tramadol 27203-92-5 31105 HMDB0014339 C07153 33741 Pos Early O-desmethyltramadol 100006382 400 53239 179291 Xenobiotics Drug - Analgesics, Anesthetics 5479 NAMED UWJUQVWARXYRCG-UHFFFAOYSA-N OC1(CCCCC1CN(C)C)c2cccc(O)c2 O-desmethyltramadol 73986-53-5 115703 HMDB0060997 9838803 Pos Early O-desmethyltramadol glucuronide 100006383 400 52357 164921 Xenobiotics Drug - Analgesics, Anesthetics 5480 NAMED DSBGQRZOJXSECT-VFUSOVNCSA-N CN(CC1CCCCC1(O)c2cc(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)ccc2)C O-desmethyltramadol glucuronide 383891-39-2 28467711 HMDB0060856 29919005 Pos Early alpha-hydroxymetoprolol 100006385 400 54738 207475 Xenobiotics Drug - Cardiovascular 5686 NAMED OFRYBPCSEMMZHR-UHFFFAOYSA-N CC(NCC(O)COC1=CC=C(C(O)COC)C=C1)C alpha-hydroxymetoprolol 56392-16-6 102899 HMDB0060994 114962 Pos Early N-acetylglucosamine/N-acetylgalactosamine 100006435 400 46539 166536 Carbohydrate Aminosugar Metabolism 1452 NAMED OVRNDRQMDRJTHS-FMDGEEDCSA-N O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(C)=O N-acetylglucosamine/N-acetylgalactosamine HMDB0000212,HMDB0000215 C01074 439174,84265 Pos Early adipoylcarnitine (C6-DC) 100006614 400 52988 166228 Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 1930 NAMED BSVHAXJKBCWVDA-UHFFFAOYSA-N [O-]C(CC(OC(CCCCC(O)=O)=O)C[N+](C)(C)C)=O adipoylcarnitine (C6-DC) 28540385 HMDB0061677 71296139 Pos Early 4-hydroxyphenylacetoylcarnitine 100006619 400 52932 166188 Amino Acid Tyrosine Metabolism 186 NAMED RLMMGDAPWBGWEF-UHFFFAOYSA-N [O-]C(CC(OC(CC1=CC=C(C=C1)O)=O)C[N+](C)(C)C)=O 4-hydroxyphenylacetoylcarnitine Pos Early suberoylcarnitine (C8-DC) 100006627 400 52990 166232 Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 1938 NAMED YVWVEIPYMGBQPE-UHFFFAOYSA-N [O-]C(CC(OC(CCCCCCC(O)=O)=O)C[N+](C)(C)C)=O suberoylcarnitine (C8-DC) Pos Early rocuronium 100006745 400 52381 165221 Xenobiotics Drug - Neurological 5877 NAMED YESZIQBQBRDCJZ-OOJCLDBCSA-N [O-][C@@H]1[C@@H](N2CCOCC2)C[C@@]3(C)[C@](CC[C@]4([H])[C@]3([H])CC[C@@]5(C)[C@@]4([H])C[C@H]([N+]6(CC=C)CCCC6)[C@@H]5OC(C)=O)([H])C1 rocuronium 143558-00-3 8025583 HMDB0014866 C07556 441290 Pos Early cyclo(met-pro) 100006759 400 52350 164907 Peptide Dipeptide 783 NAMED VFVAGPWBFWJBMN-HTQZYQBOSA-N O=C([C@H](N1)CCSC)N(CCC2)[C@@]2([H])C1=O cyclo(met-pro) 1355217-56-9 4483202 6502027 Pos Early thioproline 100009232 400 53231 179281 Xenobiotics Chemical 6283 NAMED DZLNHFMRPBPULJ-VKHMYHEASA-N O=C(O)[C@]1(NCSC1)[H] thioproline 34592-47-4 84120 HMDB0062164 93176 Pos Early 2-methylserine 100009246 400 53229 179277 Amino Acid Glycine, Serine and Threonine Metabolism 16 NAMED CDUUKBXTEOFITR-UHFFFAOYSA-N OCC(N)(C)C(O)=O 2-methylserine 85112 C02115 94309 Pos Early (S)-3-hydroxybutyrylcarnitine 100009271 400 52984 166220 Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 1943 NAMED UEFRDQSMQXDWTO-UHFFFAOYSA-N CC(O)CC(OC(C[N+](C)(C)C)CC([O-])=O)=O (S)-3-hydroxybutyrylcarnitine HMDB0013127 71464477 Pos Early methylsuccinoylcarnitine 100009275 400 53031 166248 Amino Acid Leucine, Isoleucine and Valine Metabolism 417 NAMED GFWWWKVGRZVWDS-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CC(C(O)=O)C)=O)=O methylsuccinoylcarnitine Pos Early lamotrigine 100009390 400 54762 207493 Xenobiotics Drug - Neurological 5873 NAMED PYZRQGJRPPTADH-UHFFFAOYSA-N NC1=NN=C(C2=C(Cl)C(Cl)=CC=C2)C(N)=N1 lamotrigine 3741 HMDB0014695 D00354 3878 Pos Early pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 100009407 400 53224 178792 Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 1937 NAMED NTBUXPPQHCFLOM-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCCCCC(O)=O)=O)=O pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) Pos Early 2'-O-methylcytidine 100010895 400 57554 211532 Nucleotide Pyrimidine Metabolism, Cytidine containing 4297 NAMED RFCQJGFZUQFYRF-ZOQUXTDFSA-N O=C1N(C=CC(N)=N1)[C@@H]([C@H](OC)[C@@H]2O)O[C@@H]2CO 2'-O-methylcytidine 2140-72-9 133067 150971 Pos Early gamma-glutamyl-alpha-lysine 100010901 400 55015 208464 Peptide Gamma-glutamyl Amino Acid 657 NAMED LNLLNTMHVMIMOG-YUMQZZPRSA-N O=C(N[C@@H](CCCCN)C(O)=O)CC[C@H](N)C(O)=O gamma-glutamyl-alpha-lysine 58747 65254 Pos Early ondansetron 100015776 400 57794 213857 Xenobiotics Drug - Gastrointestinal 5779 NAMED FELGMEQIXOGIFQ-UHFFFAOYSA-N CC1=NC=CN1CC2CCC3=C(C2=O)c4c(N3C)cccc4 ondansetron 99614-02-5 4434 HMDB0005035 C07325 4595 Pos Early baclofen 100015779 400 57646 213049 Xenobiotics Drug - Neurological 5878 NAMED KPYSYYIEGFHWSV-UHFFFAOYSA-N O=C(O)CC(CN)c1ccc(Cl)cc1 baclofen 1134-47-0 2197 HMDB0014327 D00241 2284 Pos Early metoclopramide 100015782 400 57666 213071 Xenobiotics Drug - Gastrointestinal 5780 NAMED TTWJBBZEZQICBI-UHFFFAOYSA-N CCN(CC/N=C(O)/c1c(OC)cc(N)c(Cl)c1)CC metoclopramide 364-62-5 4024 HMDB0015363 C07868,D00726,DG00055 4168 Pos Early trazodone 100015783 400 57691 213109 Xenobiotics Drug - Psychoactive 5931 NAMED PHLBKPHSAVXXEF-UHFFFAOYSA-N O=c1n(cccc2)c2nn1CCCN3CCN(c4cc(Cl)ccc4)CC3 trazodone 19794-93-5 5332 HMDB0014794 C07156,D08626 5533 Pos Early ceftazidime 100015887 400 57682 213093 Xenobiotics Drug - Antibiotic 5504 NAMED ORFOPKXBNMVMKC-DWVKKRMSSA-N CC(C(O)=O)(O/N=C(C(N[C@H]1[C@@H]2N(C(C([O-])=O)=C(C[n+]3ccccc3)CS2)C1=O)=O)/c4nc(N)sc4)C ceftazidime 78439-06-2 4587145 HMDB0014582 C06889,DG00571,D07654,D00921 5481173 Pos Early cefazolin 100015895 400 57693 213113 Xenobiotics Drug - Antibiotic 5509 NAMED MLYYVTUWGNIJIB-BXKDBHETSA-N Cc1sc(SCC2=C(C(O)=O)N3[C@H](SC2)[C@H](NC(Cn4nnnc4)=O)C3=O)nn1 cefazolin 27614-46-1 30723 HMDB0015422 D02299,C06880 33255 Pos Early N,N,N-trimethyl-5-aminovalerate 100015962 400 57687 213101 Amino Acid Lysine Metabolism 141 NAMED CDLVFVFTRQPQFU-UHFFFAOYSA-N C[N+](C)(C)CCCCC([O-])=O N,N,N-trimethyl-5-aminovalerate 34236878 14274897 Pos Early ethyl alpha-glucopyranoside 100015965 400 63152 221889 Xenobiotics Food Component/Plant 5125 NAMED WYUFTYLVLQZQNH-UHFFFAOYSA-N CCOC1C(O)C(O)C(O)C(CO)O1 ethyl alpha-glucopyranoside 34625-23-5 378664 HMDB0029968 11127487 Pos Early 5-hydroxyvalproate 100015980 400 61832 218513 Xenobiotics Drug - Neurological 5858 NAMED ZIWBCJXKYKOLJK-UHFFFAOYSA-N O=C(C(CCC)CCCO)O 5-hydroxyvalproate 53660-23-4 119147 HMDB0013898 C16650 135244 Pos Early (N(1) + N(8))-acetylspermidine 100016038 400 57814 213597 Amino Acid Polyamine Metabolism 559 NAMED MQTAVJHICJWXBR-UHFFFAOYSA-N CC(NCCCNCCCCN)=O (N(1) + N(8))-acetylspermidine HMDB0002189,HMDB0001276 C01029,C00612 496,123689 Pos Early 2-furoylcarnitine 100016070 400 61771 218139 Xenobiotics Food Component/Plant 5004 NAMED PAWKFSDYZWNWRA-SECBINFHSA-N O=C(O[C@@H](C[N+](C)(C)C)CC([O-])=O)C1=CC=CO1 2-furoylcarnitine Pos Early 3-hydroxystachydrine* 100020203 400 62062 218866 Xenobiotics Food Component/Plant 5100 NAMED DJMIFDZBCUUQJN-NTSWFWBYSA-N O[C@@H]1[C@H](C([O-])=O)[N+](C)(C)CC1 3-hydroxystachydrine* 391002 C10151 46173781 Pos Early hydroxyasparagine** 100020205 400 62060 218876 Amino Acid Alanine and Aspartate Metabolism 43 NAMED ZBYVTTSIVDYQSO-REOHCLBHSA-N O=C(O)[C@@H](N)CC(NO)=O hydroxyasparagine** 88149 HMDB32332 C20631 15991574 Pos Early 3-hydroxybutyroylglycine** 100020211 400 62064 218870 Lipid Fatty Acid Metabolism (Acyl Glycine) 1854 NAMED VMIWHQCIHIUYCS-UHFFFAOYSA-N O=C(CC(O)C)NCC(O)=O 3-hydroxybutyroylglycine** Pos Early N-methylhydroxyproline** 100020215 400 62068 218877 Amino Acid Urea cycle; Arginine and Proline Metabolism 520 NAMED FMIPNAUMSPFTHK-UHFFFAOYSA-N OC1CN(C)C(C(O)=O)C1 N-methylhydroxyproline** 9860390 Pos Early N,N,N-trimethyl-alanylproline betaine (TMAP) 100020217 400 62947 220818 Amino Acid Urea cycle; Arginine and Proline Metabolism 527 NAMED KXONJPJIFNGMCN-UHFFFAOYSA-N O=C(C([N+](C)(C)C)C)N1CCCC1C([O-])=O N,N,N-trimethyl-alanylproline betaine (TMAP) HMDB0240365 Pos Early 3-formylindole 100020219 400 62863 220648 Xenobiotics Food Component/Plant 4820 NAMED OLNJUISKUQQNIM-UHFFFAOYSA-N O=CC1=CNC2=CC=CC=C12 3-formylindole 487-89-8 9838 HMDB29737 C08493 10256 Pos Early gamma-glutamylcitrulline* 100020241 400 62104 218950 Peptide Gamma-glutamyl Amino Acid 666 NAMED SCTJBDDLOROJJM-UHFFFAOYSA-N NC(C(O)=O)CCC(NC(CCCNC(N)=O)C(O)=O)=O gamma-glutamylcitrulline* Pos Early 3-amino-2-piperidone 100020361 400 62853 220624 Amino Acid Urea cycle; Arginine and Proline Metabolism 497 NAMED YCCMTCQQDULIFE-UHFFFAOYSA-N NC1CCCNC1=O 3-amino-2-piperidone 1892-22-4 4371576 HMDB0000323 5200225 Pos Early N,N-dimethylalanine 100020371 400 63151 221884 Amino Acid Alanine and Aspartate Metabolism 33 NAMED QCYOIFVBYZNUNW-BYPYZUCNSA-N C[C@@](C(O)=O)(N(C)C)[H] N,N-dimethylalanine 2812-31-9 4589713 5488191 Pos Early N6,N6-dimethyllysine 100020417 400 62862 220645 Amino Acid Lysine Metabolism 118 NAMED XXEWFEBMSGLYBY-ZETCQYMHSA-N OC([C@@H](N)CCCCN(C)C)=O N6,N6-dimethyllysine 2259-86-1 167778 HMDB0013287 C05545 193344 Pos Early indoleacetoylcarnitine* 100020479 400 62279 219252 Amino Acid Tryptophan Metabolism 325 NAMED PBMNAYVZYLZVKC-UHFFFAOYSA-N O=C(OC(C[N+](C)(C)C)CC([O-])=O)CC1=CNC2=CC=CC=C12 indoleacetoylcarnitine* Pos Early N-acetyl-isoputreanine 100020487 400 62309 219289 Amino Acid Polyamine Metabolism 553 NAMED YGIAGXACEXFIDU-UHFFFAOYSA-N O=C(C)NCCCNCCCC(O)=O N-acetyl-isoputreanine 131802901 Pos Early N-acetyltheanine 100020514 400 62711 220227 Xenobiotics Food Component/Plant 5111 NAMED STZOUWQDQRPMBI-ZETCQYMHSA-N O=C(NCC)CC[C@@H](C(O)=O)NC(C)=O N-acetyltheanine Pos Early N2-acetyl,N6,N6-dimethyllysine 100020545 400 63254 222161 Amino Acid Lysine Metabolism 113 NAMED UNPVIYLDJYPILW-VIFPVBQESA-N OC([C@@H](NC(C)=O)CCCCN(C)C)=O N2-acetyl,N6,N6-dimethyllysine Pos Early N2-acetyl,N6-methyllysine 100020546 400 62954 220835 Amino Acid Lysine Metabolism 112 NAMED MKWKYAGEJHBUOX-QMMMGPOBSA-N OC([C@@H](NC(C)=O)CCCCNC)=O N2-acetyl,N6-methyllysine Pos Early ranitidine N-oxide* 100020810 400 62485 219753 Xenobiotics Drug - Gastrointestinal 5785 NAMED DFJVUWAHTQPQCV-MDWZMJQESA-N [O-][N+](C)(C)CC1=CC=C(CSCCN([H])/C(N([H])C)=C/[N+]([O-])=O)O1 ranitidine N-oxide* 2298463 62985 Pos Early 3-hydroxyhexanoylcarnitine (1) 100020825 400 62557 219908 Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 1944 NAMED VYEONLJQPYRKAN-UHFFFAOYSA-N C[N+](C)(C)CC(OC(CC(O)CCC)=O)CC([O-])=O 3-hydroxyhexanoylcarnitine (1) Pos Early N,N-dimethyl-5-aminovalerate 100020842 400 62819 220461 Amino Acid Lysine Metabolism 140 NAMED UYZSNVLEDLCWGU-UHFFFAOYSA-N CN(C)CCCCC(O)=O N,N-dimethyl-5-aminovalerate Pos Early dimethylguanidino valeric acid (DMGV)* 100020866 400 62783 220397 Amino Acid Urea cycle; Arginine and Proline Metabolism 534 NAMED GLWRPXRMUUZNMD-UHFFFAOYSA-N O=C(O)C(CCCNC(N(C)C)=N)=O dimethylguanidino valeric acid (DMGV)* 58779677 101535539 Pos Early abacavir 100020915 400 63293 222294 Xenobiotics Drug - Antiviral 5618 NAMED MCGSCOLBFJQGHM-SCZZXKLOSA-N OC[C@H](C=C1)C[C@H]1n2cnc3c2nc(N)nc3NC4CC4 abacavir 136470-78-5 390063 HMDB0015182 D07057,DG00660,C07624 441300 Pos Early emtricitabine 100020917 400 63285 222267 Xenobiotics Drug - Antiviral 5620 NAMED XQSPYNMVSIKCOC-NTSWFWBYSA-N O=c1n([C@@H]2CS[C@H](CO)O2)cc(F)c(N)n1 emtricitabine 143491-57-0 54859 HMDB0015017 C12599,D01199 60877 Pos Early lamivudine 100020918 400 63284 222266 Xenobiotics Drug - Antiviral 5621 NAMED JTEGQNOMFQHVDC-NKWVEPMBSA-N O=c1nc(N)ccn1[C@@H]2CS[C@H](CO)O2 lamivudine 134678-17-4 54812 HMDB0014847 C07065 60825 Pos Early norfentanyl 100021109 400 63870 223586 Xenobiotics Drug - Analgesics, Anesthetics 5489 NAMED PMCBDBWCQQBSRJ-UHFFFAOYSA-N CCC(N(C1CCNCC1)c2ccccc2)=O norfentanyl 1609-66-1 227671 HMDB0061006 259381 Pos Early hydroxy-N6,N6,N6-trimethyllysine* 100021123 400 62959 220848 Amino Acid Lysine Metabolism 120 NAMED ZRJHLGYVUCPZNH-MQWKRIRWSA-N [O-]C([C@@H](N)C(O)CCC[N+](C)(C)C)=O hydroxy-N6,N6,N6-trimethyllysine* Pos Early levulinoylcarnitine 100021140 400 63359 222427 Xenobiotics Food Component/Plant 4784 NAMED XDZHMFWKQXZAFO-UHFFFAOYSA-N CC(CCC(OC(CC([O-])=O)C[N+](C)(C)C)=O)=O levulinoylcarnitine Pos Early leucylhydroxyproline* 100021261 400 63052 221645 Peptide Dipeptide Derivative 670 NAMED JCCZCUUYYHWRGX-UHFFFAOYSA-N NC(CC(C)C)C(N1C(C(O)=O)CC(O)C1)=O leucylhydroxyproline* 20170035 HMDB0028930 20847829 Pos Early isoleucylhydroxyproline* 100021262 400 63051 221644 Peptide Dipeptide Derivative 669 NAMED IFZSZULHIWFRSB-UHFFFAOYSA-N NC(C(C)CC)C(N1C(C(O)=O)CC(O)C1)=O isoleucylhydroxyproline* 35032815 HMDB0028908 61158802 Pos Early (S)-a-amino-omega-caprolactam 100021329 400 63339 222374 Xenobiotics Food Component/Plant 5246 NAMED BOWUOGIPSRVRSJ-RXMQYKEDSA-N O=C1NCCCC[C@H]1N (S)-a-amino-omega-caprolactam 21568-87-6 388871 C02837 439823,440599 Pos Early (2-butoxyethoxy)acetic acid 100021457 400 63380 222465 Xenobiotics Chemical 6300 NAMED MCORDGVZLPBVJB-UHFFFAOYSA-N CCCCOCCOCC(O)=O (2-butoxyethoxy)acetic acid 95739 106312 Pos Early S-carboxyethylcysteine 100021530 400 64177 236998 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 467 NAMED CAMXXPUSAROUCX-BYPYZUCNSA-N SC[C@@H](C(O)=O)NCCC(O)=O S-carboxyethylcysteine 4033-46-9 19955529 Pos Early N-acetyl-2-aminoadipate 100021760 400 63920 223830 Amino Acid Lysine Metabolism 142 NAMED FTTGAAZKBNZDCZ-LURJTMIESA-N CC(N[C@@](CCCC(O)=O)(C(O)=O)[H])=O N-acetyl-2-aminoadipate 392027 C12986 443992 Pos Early phentermine 100021931 400 64325 237307 Xenobiotics Drug - Neurological 5852 NAMED DHHVAGZRUROJKS-UHFFFAOYSA-N NC(C)(C)CC1=CC=CC=C1 phentermine 122-09-8 Pos Early 3-hydroxyoctanoylcarnitine (1) 100021990 400 64393 237477 Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 1947 NAMED RCXSFDNDEVSQNG-UHFFFAOYSA-N [O-]C(CC(OC(C(O)CCCCCC)=O)C[N+](C)(C)C)=O 3-hydroxyoctanoylcarnitine (1) Pos Early 3-hydroxyoctanoylcarnitine (2) 100021991 400 64394 237478 Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 1948 NAMED RCXSFDNDEVSQNG-UHFFFAOYSA-N [O-]C(CC(OC(C(O)CCCCCC)=O)C[N+](C)(C)C)=O 3-hydroxyoctanoylcarnitine (2) Pos Early N,N-dimethyl-pro-pro 100022041 400 64571 238237 Peptide Modified Peptides 1237 NAMED VOWFCBSRZKGKTF-UHFFFAOYSA-N O=C(N1CCCC1C([O-])=O)C2CCC[N+]2(C)C N,N-dimethyl-pro-pro Pos Early oxindolylalanine 100022120 400 64568 238235 Amino Acid Tryptophan Metabolism 269 NAMED YLEQTOAIAOPFBY-UHFFFAOYSA-N OC(C(N)(C)N(C1=C(C2)C=CC=C1)C2=O)=O oxindolylalanine 20977764 Pos Early X-11787 999911787 400 33132 156002 UNNAMED X-11787 Pos Early X-11795 999911795 400 33140 156004 UNNAMED X-11795 Pos Early X-12096 999912096 400 47686 157559 UNNAMED X-12096 Pos Early X-12100 999912100 400 47687 157560 UNNAMED X-12100 Pos Early X-12101 999912101 400 47642 157543 UNNAMED X-12101 Pos Early X-12112 999912112 400 47690 157563 UNNAMED X-12112 Pos Early X-12117 999912117 400 47695 157567 UNNAMED X-12117 Pos Early X-12127 999912127 400 47702 157574 UNNAMED X-12127 Pos Early X-12199 999912199 400 47706 157577 UNNAMED X-12199 Pos Early X-12283 999912283 400 47708 157579 UNNAMED X-12283 Pos Early X-12462 999912462 400 46620 157261 UNNAMED X-12462 Pos Early X-12680 999912680 400 47437 157418 UNNAMED X-12680 Pos Early X-12689 999912689 400 47719 157589 UNNAMED X-12689 Pos Early X-12798 999912798 400 46624 157263 UNNAMED X-12798 Pos Early X-13507 999913507 400 47439 157420 UNNAMED X-13507 Pos Early X-13684 999913684 400 47790 157611 UNNAMED X-13684 Pos Early X-14056 999914056 400 46632 157266 UNNAMED X-14056 Pos Early X-15161 999915161 400 47620 157525 UNNAMED X-15161 Pos Early X-15461 999915461 400 46283 157144 UNNAMED X-15461 Pos Early X-16397 999916397 400 47802 157623 UNNAMED X-16397 Pos Early X-16580 999916580 400 47804 157625 UNNAMED X-16580 Pos Early X-17301 999917301 400 47808 157629 UNNAMED X-17301 Pos Early X-17304 999917304 400 47796 157617 UNNAMED X-17304 Pos Early X-17306 999917306 400 40104 156712 UNNAMED X-17306 Pos Early X-17323 999917323 400 47813 157634 UNNAMED X-17323 Pos Early X-17325 999917325 400 47815 157636 UNNAMED X-17325 Pos Early X-17346 999917346 400 47824 157645 UNNAMED X-17346 Pos Early X-21283 999921283 400 46285 157146 UNNAMED X-21283 Pos Early X-22162 999922162 400 47417 157401 UNNAMED X-22162 Pos Early X-23581 999923581 400 49457 161119 UNNAMED X-23581 Pos Early X-23583 999923583 400 49459 161121 UNNAMED X-23583 Pos Early X-23587 999923587 400 49463 161125 UNNAMED X-23587 Pos Early X-23593 999923593 400 49469 161131 UNNAMED X-23593 Pos Early X-23636 999923636 400 49512 161176 UNNAMED X-23636 Pos Early X-23639 999923639 400 49515 161179 UNNAMED X-23639 Pos Early X-23644 999923644 400 49521 161202 UNNAMED X-23644 Pos Early X-23648 999923648 400 49525 161206 UNNAMED X-23648 Pos Early X-23654 999923654 400 49531 161212 UNNAMED X-23654 Pos Early X-23655 999923655 400 49532 161213 UNNAMED X-23655 Pos Early X-23657 999923657 400 49534 161215 UNNAMED X-23657 Pos Early X-23659 999923659 400 49536 161217 UNNAMED X-23659 Pos Early X-23662 999923662 400 49539 161220 UNNAMED X-23662 Pos Early X-23665 999923665 400 49542 161233 UNNAMED X-23665 Pos Early X-23666 999923666 400 49543 161234 UNNAMED X-23666 Pos Early X-23739 999923739 400 49637 161456 UNNAMED X-23739 Pos Early X-23780 999923780 400 49679 161531 UNNAMED X-23780 Pos Early X-23997 999923997 400 52025 164326 UNNAMED X-23997 Pos Early X-24243 999924243 400 52286 164314 UNNAMED X-24243 Pos Early X-24408 999924408 400 52637 165390 UNNAMED X-24408 Pos Early X-24410 999924410 400 52639 165392 UNNAMED X-24410 Pos Early X-24411 999924411 400 52640 165393 UNNAMED X-24411 Pos Early X-24422 999924422 400 52636 165389 UNNAMED X-24422 Pos Early X-24425 999924425 400 52655 165410 UNNAMED X-24425 Pos Early X-24456 999924456 400 52773 165608 UNNAMED X-24456 Pos Early X-24457 999924457 400 52774 165609 UNNAMED X-24457 Pos Early X-24462 999924462 400 52779 165614 UNNAMED X-24462 Pos Early X-24473 999924473 400 52790 165629 UNNAMED X-24473 Pos Early X-24475 999924475 400 52792 165631 UNNAMED X-24475 Pos Early X-24518 999924518 400 52839 165684 UNNAMED X-24518 Pos Early X-24519 999924519 400 52840 165685 UNNAMED X-24519 Pos Early X-24522 999924522 400 52843 165688 UNNAMED X-24522 Pos Early X-24531 999924531 400 52852 165697 UNNAMED X-24531 Pos Early X-24728 999924728 400 53157 166544 UNNAMED X-24728 Pos Early X-24757 999924757 400 54695 220788 UNNAMED X-24757 Pos Early X-24763 999924763 400 54701 180948 UNNAMED X-24763 Pos Early X-24764 999924764 400 54702 180949 UNNAMED X-24764 Pos Early X-24801 999924801 400 54829 207715 UNNAMED X-24801 Pos Early X-24812 999924812 400 54840 207726 UNNAMED X-24812 Pos Early X-24970 999924970 400 57754 213353 UNNAMED X-24970 Pos Early X-24971 999924971 400 57755 213356 UNNAMED X-24971 Pos Early X-25044 999925044 400 61608 217873 UNNAMED X-25044 Pos Early X-25109 999925109 400 61682 217977 UNNAMED X-25109 Pos Early X-25172 999925172 400 62151 219057 UNNAMED X-25172 Pos Early X-25265 999925265 400 62494 219776 UNNAMED X-25265 Pos Early X-25267 999925267 400 62496 219778 UNNAMED X-25267 Pos Early X-25271 999925271 400 62500 219782 UNNAMED X-25271 Pos Early X-25343 999925343 400 62636 220135 UNNAMED X-25343 Pos Early X-25417 999925417 400 62714 220232 UNNAMED X-25417 Pos Early X-25419 999925419 400 62716 220234 UNNAMED X-25419 Pos Early X-25420 999925420 400 62717 220235 UNNAMED X-25420 Pos Early X-25422 999925422 400 62719 220237 UNNAMED X-25422 Pos Early X-25519 999925519 400 62963 220852 UNNAMED X-25519 Pos Early X-25520 999925520 400 62964 220853 UNNAMED X-25520 Pos Early X-25790 999925790 400 63560 222789 UNNAMED X-25790 Pos Early X-25810 999925810 400 63592 222878 UNNAMED X-25810 Pos Early X-25948 999925948 400 63899 223706 UNNAMED X-25948 Pos Early X-25957 999925957 400 63908 223734 UNNAMED X-25957 Pos Early X-25983 999925983 400 63973 224190 UNNAMED X-25983 Pos Early X-26008 999926008 400 64007 233006 UNNAMED X-26008 Pos Early X-26058 999926058 400 64282 236107 UNNAMED X-26058 Pos Early X-26097 999926097 400 64372 237426 UNNAMED X-26097 Pos Early X-26235 999926235 400 64987 240488 UNNAMED X-26235 Pos Early METABOLITES_END #END