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(2S,3S,4S,5R,6R)-6-[(5,6-diethyl-2,3-di…
(2S,3S,4S,5R,6R)-6-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: AYUINKXDLMIPNM-QRGVSUATSA-N
  • Compound CID: 118753263
  • Molecular Formula: C30H36N2O9
(3,3-difluoropyrrolidin-1-yl)((2s,4s)-4…
(3,3-difluoropyrrolidin-1-yl)((2s,4s)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)-1-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)pyrrolidin-2-yl)methanone
  • InChIKey: XEPYKZIDLULSRS-OXZOJPPVSA-N
  • Compound CID: 118753339
  • Molecular Formula: C23H34F2N6O6
(s)-2-amino-5-((r)-1-(carboxymethylamin…
(s)-2-amino-5-((r)-1-(carboxymethylamino)-3-(4-fluoro-2-hydroxy-5-((4-(4-(5-(2-hydroxypropan-2-yl)pyridin-2-yl)piperazin-1-yl)phthalazin-1-yl)methyl)phenylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
  • InChIKey: RPQNGGOQJLHDBQ-XCZPVHLTSA-N
  • Compound CID: 118753300
  • Molecular Formula: C37H43FN8O8S
(1s,4s,5s,6r)-3-[5-[2-[4-[(2-butyl-4-ox…
(1s,4s,5s,6r)-3-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]-5h-tetrazol-2-ium-2-yl]-2,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid
  • InChIKey: GQGGVFUQUGQLOH-XVALDCFZSA-O
  • Compound CID: 154699620
  • Molecular Formula: C32H39N6O7+
(3,3-dimethylpyrrolidin-1-yl)((2s,4s)-4…
(3,3-dimethylpyrrolidin-1-yl)((2s,4s)-4-(4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl)-1-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)pyrrolidin-2-yl)methanone
  • InChIKey: ONLWTLFZJOTQDB-XABKIJIISA-N
  • Compound CID: 118753279
  • Molecular Formula: C23H34F2N6O7
11-hydroxy-3,13,21-triazapentacyclo[11.…
11-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
  • InChIKey: XXDHZWIVXIVSEE-UHFFFAOYSA-N
  • Compound CID: 154700095
  • Molecular Formula: C18H13N3O2
6-[(5R,7S,10S,13R,14R)-7-hydroxy-4,4,10…
6-[(5R,7S,10S,13R,14R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12-hexahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
  • InChIKey: YBFMHFRKIFVPJA-QVYBOAIUSA-N
  • Compound CID: 137656557
  • Molecular Formula: C30H40O7
17-[2-[4-[2-(3-hydroxypyrrolidin-1-yl)-…
17-[2-[4-[2-(3-hydroxypyrrolidin-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • InChIKey: FBPWEMVQZBGIRA-UHFFFAOYSA-N
  • Compound CID: 154699585
  • Molecular Formula: C38H52N6O3
17-[2-[4-[6-(3-hydroxypyrrolidin-1-yl)-…
17-[2-[4-[6-(3-hydroxypyrrolidin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • InChIKey: KPYNFQOGMHAHOB-UHFFFAOYSA-N
  • Compound CID: 154699747
  • Molecular Formula: C38H52N6O3
(2s,3s,4s,5r)-6-[7-[(1r,5s)-6-amino-3-a…
(2s,3s,4s,5r)-6-[7-[(1r,5s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: GTZVGNAECYGIIQ-VRAMAHGZSA-N
  • Compound CID: 154699624
  • Molecular Formula: C26H23F3N4O9
5-hydroxy-3,13,21-triazapentacyclo[11.8…
5-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
  • InChIKey: ZJQXOYNZSJVQDA-UHFFFAOYSA-N
  • Compound CID: 136734739
  • Molecular Formula: C18H13N3O2
6-hydroxy-3,13,21-triazapentacyclo[11.8…
6-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
  • InChIKey: LZNDAOKPOOIXKH-UHFFFAOYSA-N
  • Compound CID: 136734737
  • Molecular Formula: C18H13N3O2
7-hydroxy-3,13,21-triazapentacyclo[11.8…
7-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
  • InChIKey: OLMHRSLUDJARDO-UHFFFAOYSA-N
  • Compound CID: 102351043
  • Molecular Formula: C18H13N3O2
8-hydroxy-3,13,21-triazapentacyclo[11.8…
8-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
  • InChIKey: HOKAQDWBHPUJBU-UHFFFAOYSA-N
  • Compound CID: 136734738
  • Molecular Formula: C18H13N3O2
[(3r,8s,9s,10r,13s,14s,17r)-13-ethyl-17…
[(3r,8s,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • InChIKey: SFLFQWSDLZNFPJ-JASYKLOUSA-N
  • Compound CID: 154699951
  • Molecular Formula: C22H30O5S
n-(2,10-dihydroxy-5,8-dioxo-4-propan-2-…
n-(2,10-dihydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinoline-9-carboxamide
  • InChIKey: HOCPALPQPRWWDP-UHFFFAOYSA-N
  • Compound CID: 154699650
  • Molecular Formula: C28H35N5O6
(2s,3s,4s,5r,6r)-6-((r)-1-(4-(4-fluoro-…
(2s,3s,4s,5r,6r)-6-((r)-1-(4-(4-fluoro-2-methyl-1h-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-yloxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
  • InChIKey: TYHCOOSLCVMBBW-IYYXUBSOSA-N
  • Compound CID: 51353032
  • Molecular Formula: C25H27FN4O9
(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[[(8r,…
(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[[(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
  • InChIKey: FJAZVHYPASAQKM-AYGAEXAVSA-N
  • Compound CID: 13783435
  • Molecular Formula: C24H30O8
(2s,3s,4s,5r)-6-[[(4r,4ar,7s,7ar,12bs)-…
(2s,3s,4s,5r)-6-[[(4r,4ar,7s,7ar,12bs)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: WAEXKFONHRHFBZ-QMGRMYLDSA-N
  • Compound CID: 18595497
  • Molecular Formula: C23H27NO9
(2s,3s,4s,5r)-6-[[(4r,4ar,7s,7ar,12bs)-…
(2s,3s,4s,5r)-6-[[(4r,4ar,7s,7ar,12bs)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: GNJCUHZOSOYIEC-FJUCOFCUSA-N
  • Compound CID: 9847115
  • Molecular Formula: C23H27NO9
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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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