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2-acetamido-3-{[(2z)-4,4,5,5,6,6,7,7,8,…
2-acetamido-3-{[(2z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-1-hydroxydec-2-en-3-yl]sulfanyl}propanoic acid
  • InChIKey: DKDVVAGXPDRXSP-UQCOIBPSSA-N
  • Compound CID: 165362515
  • Molecular Formula: C15H12F15NO4S
3-[[4-[2-[2-[(3r,4s,5s,6s)-6-carboxy-3,…
3-[[4-[2-[2-[(3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]tetrazol-5-yl]phenyl]phenyl]methyl]-2-ethoxy-1h-benzimidazol-3-ium-4-carboxylic acid
  • InChIKey: DKFREKVMLYJKFG-XOEMIVIESA-O
  • Compound CID: 154699779
  • Molecular Formula: C30H29N6O9+
6-[(3-acetyloxy-13-methyl-6,7,8,9,11,12…
6-[(3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: ODXJNPXZOZZOQQ-UHFFFAOYSA-N
  • Compound CID: 154699841
  • Molecular Formula: C26H34O9
[10,13-dimethyl-17-(1-oxidopyridin-1-iu…
[10,13-dimethyl-17-(1-oxidopyridin-1-ium-3-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • InChIKey: AEEMBGRHVQPUBV-UHFFFAOYSA-N
  • Compound CID: 131769975
  • Molecular Formula: C24H31NO5S
methyl 17-(2-hydroxyethyl)-3,13-diazape…
methyl 17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
  • InChIKey: FRCVRUHRFLXLAI-UHFFFAOYSA-N
  • Compound CID: 20642901
  • Molecular Formula: C21H26N2O3
(2s)-n-[(2s,3r)-4-[(3s,4ar,8as)-3-(tert…
(2s)-n-[(2s,3r)-4-[(3s,4ar,8as)-3-(tert-butylcarbamoyl)-6-hydroxy-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-[(quinolin-2-yl)formamido]butanediamide
  • InChIKey: VEVTYHWFAKZKCL-VICGCSEUSA-N
  • Compound CID: 154700013
  • Molecular Formula: C38H50N6O6
(2s)-n-[(2s,3r)-4-[(3s,4as,8as)-3-(tert…
(2s)-n-[(2s,3r)-4-[(3s,4as,8as)-3-(tert-butylcarbamoyl)-7-hydroxy-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-[(quinolin-2-yl)formamido]butanediamide
  • InChIKey: YHJGQHOJUFVUIN-XFHLUWSMSA-N
  • Compound CID: 154700110
  • Molecular Formula: C38H50N6O6
(s)-2-amino-5-((r)-3-(2-amino-9-((4-hyd…
(s)-2-amino-5-((r)-3-(2-amino-9-((4-hydroxy-3,5-dimethylpyridin-2-yl)methyl)-9h-purin-6-ylthio)-1-(carboxymethylamino)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
  • InChIKey: BYFHBBATFYWREY-JSGCOSHPSA-N
  • Compound CID: 118753344
  • Molecular Formula: C23H29N9O7S
(s)-2-amino-5-((r)-3-(2-amino-9-((4-met…
(s)-2-amino-5-((r)-3-(2-amino-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-9h-purin-6-ylthio)-1-(carboxymethylamino)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
  • InChIKey: HCWKFWHRTPRJCB-ZFWWWQNUSA-N
  • Compound CID: 118753017
  • Molecular Formula: C24H31N9O7S
17-hydroxy-17-(3-hydroxypropyl)-13-meth…
17-hydroxy-17-(3-hydroxypropyl)-13-methyl-11-[4-(methylamino)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • InChIKey: WYWIXJQPMTVGKW-UHFFFAOYSA-N
  • Compound CID: 14694564
  • Molecular Formula: C28H37NO3
n-(1-hydroxy-2-methylpropan-2-yl)-9a,11…
n-(1-hydroxy-2-methylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
  • InChIKey: MFUJYZCMHDCXGQ-UHFFFAOYSA-N
  • Compound CID: 20034539
  • Molecular Formula: C23H36N2O3
(2s,3s,4s,5r)-6-[[(4s)-6-chloro-4-(2-cy…
(2s,3s,4s,5r)-6-[[(4s)-6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1h-3,1-benzoxazin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: BQLVNDDLDQZWTI-YZOXJGBRSA-N
  • Compound CID: 154699516
  • Molecular Formula: C20H17ClF3NO9
(2s,3s,4s,5r)-6-[[(4s)-6-chloro-4-(2-cy…
(2s,3s,4s,5r)-6-[[(4s)-6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1h-3,1-benzoxazin-8-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: OURIKXWHMJZDHE-YZOXJGBRSA-N
  • Compound CID: 154699864
  • Molecular Formula: C20H17ClF3NO9
(2s,3s,4s,5r,6r)-6-((1-carboxy-2-(4-((6…
(2s,3s,4s,5r,6r)-6-((1-carboxy-2-(4-((6-hydroxy-1-methyl-1h-benzo[d]imidazol-2-yl)methoxy)phenyl)ethylthio)carbonylamino)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
  • InChIKey: UGKRAHNGTWJBTF-BXLZEGBGSA-N
  • Compound CID: 118753195
  • Molecular Formula: C25H27N3O11S
(2s,3s,4s,5r,6r)-6-((6-((2-amino-6-chlo…
(2s,3s,4s,5r,6r)-6-((6-((2-amino-6-chloro-9h-purin-9-yl)methyl)-4-methoxy-5-methylpyridin-3-yl)methoxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
  • InChIKey: YZCVATBMJUREPD-NCWRXXFHSA-N
  • Compound CID: 118753188
  • Molecular Formula: C20H23ClN6O8
(2s,3s,4s,5r,6r)-6-((6-((2-amino-6-hydr…
(2s,3s,4s,5r,6r)-6-((6-((2-amino-6-hydroxy-9h-purin-9-yl)methyl)-4-methoxy-5-methylpyridin-3-yl)methoxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
  • InChIKey: USJYYTNDQJJQKL-NCWRXXFHSA-N
  • Compound CID: 136961853
  • Molecular Formula: C20H24N6O9
(2S,3S,4S,5R,6S)-6-[5-[3-[3-amino-1-[2-…
(2S,3S,4S,5R,6S)-6-[5-[3-[3-amino-1-[2-(difluoromethyl)-4-pyridinyl]-4-fluoroisoindol-1-yl]phenyl]imidazol-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: AWTLKDTWTRYGGF-WXWOWMRGSA-N
  • Compound CID: 118753408
  • Molecular Formula: C29H24F3N5O7
2-[5-[2-[4-[[2-butyl-5-chloro-4-(hydrox…
2-[5-[2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)-1h-imidazol-3-ium-3-yl]methyl]phenyl]phenyl]-1,5-dihydrotetrazol-2-yl]-6-(dihydroxymethyl)oxane-3,4,5-triol
  • InChIKey: SRIGUAVCZXEAHJ-UHFFFAOYSA-O
  • Compound CID: 154699965
  • Molecular Formula: C28H36ClN6O7+
(2s,3s,4s,5r)-6-[2-(2-chlorophenyl)-5-h…
(2s,3s,4s,5r)-6-[2-(2-chlorophenyl)-5-hydroxy-8-[(3s,4r)-3-hydroxy-1-methylpiperidin-4-yl]-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: SYNNBRRQNWDVQW-CAZZKBMBSA-N
  • Compound CID: 154699975
  • Molecular Formula: C27H28ClNO11
(2s,3s,4s,5r,6s)-6-(4-carbamoyl-1-(8-(2…
(2s,3s,4s,5r,6s)-6-(4-carbamoyl-1-(8-(2-chlorophenyl)-9-(4-chlorophenyl)-9h-purin-6-yl)piperidin-4-ylaminooxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
  • InChIKey: OEDQVLFKEBSKKN-PVLCVKBISA-N
  • Compound CID: 118753271
  • Molecular Formula: C29H31Cl2N7O7
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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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