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3-oxo-7a,12a-dihydroxy-5b-cholanic acid
3-oxo-7a,12a-dihydroxy-5b-cholanic acid
  • InChIKey: OEKUSRBIIZNLHZ-UHFFFAOYSA-N
  • Compound CID: 4046638
  • Molecular Formula: C24H38O5
3beta,7-Dihydroxyandrosta-5-ene-17-one
3beta,7-Dihydroxyandrosta-5-ene-17-one
  • InChIKey: OLPSAOWBSPXZEA-UHFFFAOYSA-N
  • Compound CID: 22245198
  • Molecular Formula: C19H28O3
4-chlorophenyl-1,2,3,6-tetrahydropyridi…
4-chlorophenyl-1,2,3,6-tetrahydropyridine
  • InChIKey: SXOMHACGFSJBIO-UHFFFAOYSA-N
  • Compound CID: 185717
  • Molecular Formula: C11H12ClN
4-methoxy-3-[2-(methylamino)propyl]phen…
4-methoxy-3-[2-(methylamino)propyl]phenol
  • InChIKey: MJHSFKIGFVIAFL-UHFFFAOYSA-N
  • Compound CID: 179091
  • Molecular Formula: C11H17NO2
4-oxa-4-(3-pyridyl)-n-methylbutanamide
4-oxa-4-(3-pyridyl)-n-methylbutanamide
  • InChIKey: WOOSCPWOYYLIHS-UHFFFAOYSA-N
  • Compound CID: 436
  • Molecular Formula: C10H12N2O2
4-oxo-4-pyridin-3-ylbutane-1-diazonium
4-oxo-4-pyridin-3-ylbutane-1-diazonium
  • InChIKey: HDGCAMXBLGYZJC-UHFFFAOYSA-N
  • Compound CID: 57708513
  • Molecular Formula: C9H10N3O+
5'-deoxy-5-fluorocytidine (5'-dfcr)
5'-deoxy-5-fluorocytidine (5'-dfcr)
  • InChIKey: YSNABXSEHNLERR-ZIYNGMLESA-N
  • Compound CID: 10037499
  • Molecular Formula: C9H12FN3O4
5,6,7,8-tetrahydro-2-naphthoate
5,6,7,8-tetrahydro-2-naphthoate
  • InChIKey: RSWXAGBBPCRION-UHFFFAOYSA-M
  • Compound CID: 7131679
  • Molecular Formula: C11H11O2-
5,7-dihydroxy-3p,4p,5p-trimethoxyflavone
5,7-dihydroxy-3p,4p,5p-trimethoxyflavone
  • InChIKey: CPCPHNWWTJLXKQ-UHFFFAOYSA-N
  • Compound CID: 5379265
  • Molecular Formula: C18H16O7
5-(3,4-dihydroxyphenyl)-5-ethylbarbitur…
5-(3,4-dihydroxyphenyl)-5-ethylbarbituric acid
  • InChIKey: NDDVAGKNEASBMV-UHFFFAOYSA-N
  • Compound CID: 15557863
  • Molecular Formula: C12H12N2O5
5-(3,4-dihydroxyphenyl)-5-phenyldantoin
5-(3,4-dihydroxyphenyl)-5-phenyldantoin
  • InChIKey: WWEKVOUOQUHVHS-UHFFFAOYSA-N
  • Compound CID: 169703
  • Molecular Formula: C15H12N2O4
5-methyl-5,6,7,8-tetrahydromethanopterin
5-methyl-5,6,7,8-tetrahydromethanopterin
  • InChIKey: SWBKYDXMQNCIAW-ZQPYBXQSSA-N
  • Compound CID: 135398707
  • Molecular Formula: C31H47N6O16P
5-oxo-4,5-dihydrothiophene-2-carboxyl-c…
5-oxo-4,5-dihydrothiophene-2-carboxyl-coa
  • InChIKey: QYDJDIIVXSRXNI-UHFFFAOYSA-N
  • Compound CID: 9543401
  • Molecular Formula: C26H38N7O18P3S2
6-cyclopropyl-2-phenylamino-pyrimidin-4…
6-cyclopropyl-2-phenylamino-pyrimidin-4-yl)-methanol
  • InChIKey: KWORTNPHVKWENH-UHFFFAOYSA-N
  • Compound CID: 19874094
  • Molecular Formula: C14H15N3O
7,8-dihydrobenzo[a]pyrene-7,8-diol
7,8-dihydrobenzo[a]pyrene-7,8-diol
  • InChIKey: YDXRLMMGARHIIC-UHFFFAOYSA-N
  • Compound CID: 25892
  • Molecular Formula: C20H14O2
[(7-oxobenzo[a]phenalen-3-yl)amino] hyd…
[(7-oxobenzo[a]phenalen-3-yl)amino] hydrogen sulfate
  • InChIKey: MBBWEJFOKGQOKS-UHFFFAOYSA-N
  • Compound CID: 154699784
  • Molecular Formula: C17H11NO5S
ae-41 (syn505866)
ae-41 (syn505866)
  • InChIKey: LMQCXGCVWZCDTA-UHFFFAOYSA-N
  • Compound CID: 139595933
  • Molecular Formula: C4H6N4O
amlodipine metabolite m12 (o-des[2-amin…
amlodipine metabolite m12 (o-des[2-aminoethyl]-o-carboxymethyl dehydroamlodipine)
  • InChIKey: WYLSEDHKQJBUIA-UHFFFAOYSA-N
  • Compound CID: 14271878
  • Molecular Formula: C20H20ClNO7
androsta-1,4-diene-3,17-dione
androsta-1,4-diene-3,17-dione
  • InChIKey: LUJVUUWNAPIQQI-QAGGRKNESA-N
  • Compound CID: 13472
  • Molecular Formula: C19H24O2
cholestane-3,7,12,25-tetrol
cholestane-3,7,12,25-tetrol
  • InChIKey: NTIXPPFPXLYJCT-UHFFFAOYSA-N
  • Compound CID: 3482062
  • Molecular Formula: C27H48O4
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Funding support from the European Union’s Horizon 2020 research and innovation program under Grant Agreement No. 101036756 for project “ZeroPM: Zero pollution of persistent, mobile substances”

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