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5-(3-(3-methoxy-5-(pyridin-4-yl)phenyl)…
5-(3-(3-methoxy-5-(pyridin-4-yl)phenyl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine
  • InChIKey: ULSWBNKDTMSHNY-UHFFFAOYSA-N
  • Compound CID: 71560291
  • Molecular Formula: C21H21N5O
6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl…
6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)but-1-ynyl)pyrimidine-2,4-diamine
  • InChIKey: PPKWGSTVAQFAGZ-UHFFFAOYSA-N
  • Compound CID: 118753247
  • Molecular Formula: C22H23N5O
6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl…
6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)prop-1-ynyl)pyrimidine-2,4-diamine
  • InChIKey: CZCHMGRCEXJPTP-UHFFFAOYSA-N
  • Compound CID: 57149549
  • Molecular Formula: C21H21N5O
6-ethyl-5-(3-(3-methoxy-5-(pyridin-4-yl…
6-ethyl-5-(3-(3-methoxy-5-(pyridin-4-yl)phenyl)but-1-ynyl)pyrimidine-2,4-diamine
  • InChIKey: KEPLBUUTAQCZOE-UHFFFAOYSA-N
  • Compound CID: 71525312
  • Molecular Formula: C22H23N5O
6-ethyl-5-(3-(3-methoxy-5-(pyridin-4-yl…
6-ethyl-5-(3-(3-methoxy-5-(pyridin-4-yl)phenyl)prop-1-ynyl)pyrimidine-2,4-diamine
  • InChIKey: COHGVYNMDPBQFR-UHFFFAOYSA-N
  • Compound CID: 57149550
  • Molecular Formula: C21H21N5O
7-(1-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-o…
7-(1-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2h-chromen-2-ol
  • InChIKey: GCOXHNLTYHXVNY-UHFFFAOYSA-N
  • Compound CID: 154699604
  • Molecular Formula: C13H24O4
7-(3-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-o…
7-(3-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2h-chromen-2-ol
  • InChIKey: QFEYWSNHHNNZCP-UHFFFAOYSA-N
  • Compound CID: 154699899
  • Molecular Formula: C13H24O4
7-(4-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-o…
7-(4-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2h-chromen-2-ol
  • InChIKey: DUMLRPFNBDKIFM-UHFFFAOYSA-N
  • Compound CID: 154699574
  • Molecular Formula: C13H24O4
[5-chloro-4-(4,5-dihydro-1h-imidazol-2-…
[5-chloro-4-(4,5-dihydro-1h-imidazol-2-ylamino)-2,1,3-benzothiadiazol-7-yl] hydrogen sulfate
  • InChIKey: JPCZEGIHCYSSMV-UHFFFAOYSA-N
  • Compound CID: 154699714
  • Molecular Formula: C9H8ClN5O4S2
(10r,11r)-10,11-dihydroxy-10,11-dihydro…
(10r,11r)-10,11-dihydroxy-10,11-dihydro-5h-dibenzo[b,f]azepine-5-carboxamide
  • InChIKey: PRGQOPPDPVELEG-ZIAGYGMSSA-N
  • Compound CID: 13726064
  • Molecular Formula: C15H14N2O3
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3…
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 2,3-dimethyloxirane-2-carboxylate
  • InChIKey: VYFAOJIJWKADAF-UHFFFAOYSA-N
  • Compound CID: 72802059
  • Molecular Formula: C19H20O6
(2r,3s)-2-((r)-1-(3,5-bis(trifluorometh…
(2r,3s)-2-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine
  • InChIKey: AFBDSAJOMZYQAI-CNOZUTPLSA-N
  • Compound CID: 10113945
  • Molecular Formula: C20H18F7NO2
(3R)-5-(4-Chlorophenyl)-3-phenyl-3-(1,2…
(3R)-5-(4-Chlorophenyl)-3-phenyl-3-(1,2,4-triazol-1-ylmethyl)oxolan-2-one
  • InChIKey: MHNWNPDHEYZMGW-NNBQYGFHSA-N
  • Compound CID: 139596045
  • Molecular Formula: C19H16ClN3O2
(s)-6,7-dimethoxy-1-[2-(4-trifluorometh…
(s)-6,7-dimethoxy-1-[2-(4-trifluoromethyl-phenyl)-ethyl]-1,2,3,4-tetra-hydroisoquinoline
  • InChIKey: YDSAXZXFUOAJSV-KRWDZBQOSA-N
  • Compound CID: 44133419
  • Molecular Formula: C20H22F3NO2
1-[4-[4-(5-hydroxypyrimidin-2-yl)pipera…
1-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione
  • InChIKey: FPIFDKJZXXMJRK-UHFFFAOYSA-N
  • Compound CID: 10270833
  • Molecular Formula: C19H29N5O3
2-((4-((2,4-dioxothiazolidin-5-yl)methy…
2-((4-((2,4-dioxothiazolidin-5-yl)methyl)phenoxy)methyl)-1-methyl-1h-benzo[d]imidazol-6-yl hydrogen sulfate
  • InChIKey: INUMSVMFZRMZEH-UHFFFAOYSA-N
  • Compound CID: 9890581
  • Molecular Formula: C19H17N3O7S2
2-[(5-chloro-4,8-dihydroxy-3-methyl-1-o…
2-[(5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid
  • InChIKey: BCZIFDALJWPHTK-UHFFFAOYSA-N
  • Compound CID: 14550626
  • Molecular Formula: C20H18ClNO7
2-[3-(4-methylpiperazin-1-yl)propyl]-5-…
2-[3-(4-methylpiperazin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1h-indole
  • InChIKey: CBQOQETVBHUSNL-UHFFFAOYSA-N
  • Compound CID: 154699526
  • Molecular Formula: C18H24N6
3-[2-(4-hydroxyphenyl)-3h-benzimidazol-…
3-[2-(4-hydroxyphenyl)-3h-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1h-pyridazin-6-one
  • InChIKey: QOAXSEARPHDXFC-UHFFFAOYSA-N
  • Compound CID: 122345
  • Molecular Formula: C18H16N4O2
3-[5-[(6-ethylimino-8-propan-2-yl-7h-pu…
3-[5-[(6-ethylimino-8-propan-2-yl-7h-purin-3-yl)methyl]-2-methoxyphenoxy]cyclopentan-1-ol
  • InChIKey: MMRJDHODQQEOAQ-UHFFFAOYSA-N
  • Compound CID: 135449988
  • Molecular Formula: C23H31N5O3
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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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