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(s)-3-(3-(aminomethyl)-1-hydroxy-1,3-di…
(s)-3-(3-(aminomethyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yloxy)propanoic acid hydrochloride
  • InChIKey: OMNZFUGKQMGAAD-SBSPUUFOSA-N
  • Compound CID: 118753285
  • Molecular Formula: C11H15BClNO5
(s)-methyl 3,3-dimethyl-1-oxo-1-(2-(4-(…
(s)-methyl 3,3-dimethyl-1-oxo-1-(2-(4-(pyridin-2-yl)benzyl)hydrazinyl)butan-2-ylcarbamate
  • InChIKey: ZQCYFRRVVVAWHJ-QGZVFWFLSA-N
  • Compound CID: 11653592
  • Molecular Formula: C20H26N4O3
1-(1-oxo-2,3,3a,4,5,6,7,7a-octahydro-1-…
1-(1-oxo-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophen-2-yl)ethanol
  • InChIKey: IWTQTBVQUABYQV-UHFFFAOYSA-N
  • Compound CID: 154699694
  • Molecular Formula: C10H18O2S
1-[9-(4-chloro-phenyl)-8-(2-chloro-phen…
1-[9-(4-chloro-phenyl)-8-(2-chloro-phenyl)-9h-purin-6-yl]-piperidin-4-one oxime
  • InChIKey: CCKTXQQCVIWQEZ-UHFFFAOYSA-N
  • Compound CID: 21905790
  • Molecular Formula: C22H18Cl2N6O
1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,10…
1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic acid
  • InChIKey: OGXXAQFMAFTSRU-UHFFFAOYSA-N
  • Compound CID: 1411
  • Molecular Formula: C21H28O4
2-(1-((s)-1-(2-chlorophenyl)-2-methoxy-…
2-(1-((s)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercaptopiperidin-3-ylidene)acetic acid
  • InChIKey: CWUDNVCEAAXNQA-DVQIPWARSA-N
  • Compound CID: 118753131
  • Molecular Formula: C16H18ClNO4S
2-(3-(2,4-diamino-6-ethylpyrimidin-5-yl…
2-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-ynyl)-4-(pyridin-4-yl)phenol
  • InChIKey: XGPVKEVSLLJQTF-UHFFFAOYSA-N
  • Compound CID: 136961850
  • Molecular Formula: C20H19N5O
2-[1-[1-[2-(2-fluorophenyl)-1-hydroxyet…
2-[1-[1-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-4-yl]indol-6-yl]-n-methylacetamide
  • InChIKey: UESYPAOIMZYXCC-UHFFFAOYSA-N
  • Compound CID: 154699987
  • Molecular Formula: C24H28FN3O2
2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyet…
2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-n-methylacetamide
  • InChIKey: KUSDQXXHLZTPLH-UHFFFAOYSA-N
  • Compound CID: 154699752
  • Molecular Formula: C24H28FN3O2
2-[[1-(4-methoxy-2-methylphenyl)-6-(tri…
2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)pyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
  • InChIKey: DMVYKDGMHJMQBE-UHFFFAOYSA-N
  • Compound CID: 154699560
  • Molecular Formula: C22H20F3N3O3
2-[[4-chloro-6-(ethylamino)-1,3,5-triaz…
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
  • InChIKey: QMTYNRYLLIJMHR-UHFFFAOYSA-N
  • Compound CID: 779516
  • Molecular Formula: C9H16ClN5O
2-ethoxy-4-[2-[[1-[2-(4-hydroxybutylami…
2-ethoxy-4-[2-[[1-[2-(4-hydroxybutylamino)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid
  • InChIKey: KAVQVMXQUQWQJZ-UHFFFAOYSA-N
  • Compound CID: 154699730
  • Molecular Formula: C26H36N2O5
29-(Perfluorohexyl)-3,6,9,12,15,18,21,2…
29-(Perfluorohexyl)-3,6,9,12,15,18,21,24,27anonaoxanonacosanoic acid
  • InChIKey: SOQPUCLZDQHBSF-UHFFFAOYSA-N
  • Compound CID: 165362415
  • Molecular Formula: C26H39F13O11
3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)…
3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid
  • InChIKey: CATNYWBROAUMSP-UHFFFAOYSA-N
  • Compound CID: 154699525
  • Molecular Formula: C22H20O11
3-((1h-imidazol-2-yl)methyl)-6-(1-hydro…
3-((1h-imidazol-2-yl)methyl)-6-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethylphenol
  • InChIKey: GTYONBALMIDUDK-UHFFFAOYSA-N
  • Compound CID: 118753143
  • Molecular Formula: C16H22N2O2
3-(3-(2,4-diamino-6-ethylpyrimidin-5-yl…
3-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-ynyl)-5-(pyridin-4-yl)phenol
  • InChIKey: INPGPHDXMLTJME-UHFFFAOYSA-N
  • Compound CID: 118753020
  • Molecular Formula: C20H19N5O
3-chloro-5-methyl-n-(1,1,3-trimethyl-3h…
3-chloro-5-methyl-n-(1,1,3-trimethyl-3h-2-benzofuran-4-yl)-1h-pyrazole-4-carboxamide
  • InChIKey: ACFDYUIMXVOAJX-UHFFFAOYSA-N
  • Compound CID: 101086897
  • Molecular Formula: C16H18ClN3O2
3-o-(1-benzylpyrrolidin-3-yl) 5-o-methy…
3-o-(1-benzylpyrrolidin-3-yl) 5-o-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
  • InChIKey: DFWOMDUVXAUTRY-UHFFFAOYSA-N
  • Compound CID: 91992444
  • Molecular Formula: C27H27N3O6
4-(3-amino-4-fluoro-1-(3-(pyrimidin-5-y…
4-(3-amino-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1h-isoindol-1-yl)pyridine 1-oxide
  • InChIKey: WWDAOWSUJIRCSX-UHFFFAOYSA-N
  • Compound CID: 118753383
  • Molecular Formula: C23H16FN5O
4-[4-[3-(tert-butylamino)-2-hydroxyprop…
4-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,5-thiadiazol-3-yl]morpholin-2-ol
  • InChIKey: YAQBXZZIPUGCRU-UHFFFAOYSA-N
  • Compound CID: 54498257
  • Molecular Formula: C13H24N4O4S
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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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