Link_to_File ListAcronym Version Date ZenodoDOI URL RegID SMILES InChIKey InChI Synonym Comment ExtraDOIs NOTE: if multple columns exist they are pipe-separated (|). Author and description can be pulled from JSON-LD Link_to_File ListAcronym Version Date ZenodoDOI PUBCHEM_EXT_DATASOURCE_URL PUBCHEM_EXT_DATASOURCE_REGID PUBCHEM_EXT_DATASOURCE_SMILES PUBCHEM_EXT_DATASOURCE_INCHIKEY PUBCHEM_EXT_DATASOURCE_INCHI PUBCHEM_EXT_DATASOURCE_SYNONYM PUBCHEM_SUBSTANCE_COMMENT ExtraDOIs NOTE: if multple columns exist they are pipe-separated (|) https://zenodo.org/record/4558070/files/susdat_2020-06-18-123341_20210223.csv S0_SUSDAT S0.0.3.2 23-Feb-21 10.5281/zenodo.2664077 https://www.norman-network.com/nds/SLE/ Norman_SusDat_ID SMILES StdInChIKey Name|CAS_RN|Norman_SusDat_ID https://zenodo.org/record/3365550/files/UFZWANATARG_11082019.csv S53_UFZWANATARG S53.0.1.0 11-Aug-19 10.5281/zenodo.3365550 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|IUPAC_NAME LC_or_GC https://zenodo.org/record/3248994/files/EFSAPRI_212List_18062019.csv S54_EFSAPRI S54.0.1.0 18-Jun-19 10.5281/zenodo.3248994 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name https://zenodo.org/record/3248884/files/GREEKPHARMA_18062019.csv S57_GREEKPHARMA S57.0.1.0 18-Jun-19 10.5281/zenodo.3248884 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name Class https://zenodo.org/record/3248838/files/UOATARGPHARMA_18062019.csv S56_UOATARGPHARMA S56.0.1.0 18-Jun-19 10.5281/zenodo.3248838 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name Group 10.1021/acs.est.6b02417|10.1016/j.scitotenv.2015.09.145 https://zenodo.org/record/4248976/files/ZINC15PHARMA.csv S55_ZINC15PHARMA S55.0.1.1 6-Nov-20 10.5281/zenodo.3247749 https://www.norman-network.com/nds/SLE/ ID SMILES sdInChIKey Chemical_Name https://zenodo.org/record/3247728/files/SYNTHCANNAB_17062019.csv S45_SYNTHCANNAB S45.0.2.0 17-Jun-19 10.5281/zenodo.3247728 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME https://zenodo.org/record/3247724/files/PSYCHOCANNAB_17062019.csv S58_PSCYHOCANNAB S58.0.1.0 17-Jun-19 10.5281/zenodo.3247724 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME https://zenodo.org/record/3247682/files/MassBankEU_Cmpds_11042017_wMS_DTXSIDs_03102017.csv S1_MASSBANK S1.0.1.1 17-Jun-19 10.5281/zenodo.3247682 https://www.norman-network.com/nds/SLE/ NORMAN_ID SMILES InChIKey Preferable Ionization 10.1002/jms.3131 SPECIAL CASE: Synonyms available but pipe-separated. This is not a FULL copy of MassBank https://zenodo.org/record/3242298/files/litminedneuro_list_chemicals-2019-06-10-09-31-17.csv S37_LITMINEDNEURO S37.0.1.1 10-Jun-19 10.5281/zenodo.3242298 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME 10.1039/C9EM00068B https://zenodo.org/record/2669467/files/THSMOKE_THS_Suspects_06052019.csv S52_THSMOKE S52.0.1.0 6-May-19 10.5281/zenodo.2669467 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY Compound|Chemical name|PREFERRED_NAME|IUPAC_NAME Category https://zenodo.org/record/2658170/files/WRIGCHRMS_04042019.csv S51_WRIGCHRMS S51.0.1.0 4-Apr-19 10.5281/zenodo.2658170 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name https://zenodo.org/record/2658163/files/20190304JAP_CCSdatabase_final.csv S50_CCSCOMPEND S50.0.1.0 6-Mar-19 10.5281/zenodo.2658163 https://www.norman-network.com/nds/SLE/ InChIKey Compound|CAS 10.1039/C8SC04396E https://zenodo.org/record/2658153/files/CPPdb_ListB_Mapped_06032019.csv S49_CCPDBLISTB S49.0.1.0 6-Mar-19 10.5281/zenodo.2658153 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY CAS|EC number|Name 10.5281/zenodo.1287773|10.1016/j.scitotenv.2018.10.015 https://zenodo.org/record/2658144/files/CPPdb_ListA_Mapped_06032019.csv S48_CCPDBLISTA S48.0.1.0 6-Mar-19 10.5281/zenodo.2658144 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY CAS|EC number|Name 10.5281/zenodo.1287773|10.1016/j.scitotenv.2018.10.015 https://zenodo.org/record/2658140/files/ECHA_PlasticAdditivesInitiative_06032019.csv S47_ECHAPLASTICS S47.0.1.0 6-Mar-19 10.5281/zenodo.2658140 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY EC number|CAS number|Substance name Type https://zenodo.org/record/3653161/files/PFASNTREV19_Liu_etal_17042019.csv S46_PFASNTREV19 S46.0.1.1 6-Feb-20 10.5281/zenodo.3653161 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|LongName|CASRN 10.1016/j.trac.2019.02.021 https://zenodo.org/record/2656737/files/STATINS_14022019.csv S44_STATINS S44.0.1.0 14-Feb-19 10.5281/zenodo.2656737 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME https://zenodo.org/record/2656730/files/NEUROTOXINS_14022019.csv S43_NEUROTOXINS S43.0.1.0 14-Feb-19 10.5281/zenodo.2656730 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME 10.1039/C9EM00068B https://zenodo.org/record/2656725/files/HDXNOEX_14022019.csv S42_HDXNOEX S42.0.1.0 14-Feb-19 10.5281/zenodo.2656725 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME 10.1007/s00216-019-01885-0 https://zenodo.org/record/2656717/files/CCL4_14022019.csv S41_CCL4 S41.0.1.0 14-Feb-19 10.5281/zenodo.2656717 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME https://zenodo.org/record/2656711/files/ALGALTOX_14022019.csv S40_ALGALTOX S40.0.1.0 14-Feb-19 10.5281/zenodo.2656711 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME https://zenodo.org/record/3541665/files/Suspects_Wastewater_Sweden_KEMI20190212_wDTXSIDs.csv S39_KEMIWWSUS S39.0.1.1 12-Feb-19 10.5281/zenodo.2653567 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY Name|CAS_No|EC_No|PREFERRED_NAME https://zenodo.org/record/3541788/files/modelsTransformationProducts.csv S38_SOLNSLMCTPS S38.0.1.1 14-Feb-19 10.5281/zenodo.3541788 https://www.norman-network.com/nds/SLE/ LMC SMILES CAS# https://zenodo.org/record/4323239/files/S36_UBAPMT_Dec2020.csv S36_UBAPMT S36.0.2.1 15-Dec-20 10.5281/zenodo.2653212 https://www.norman-network.com/nds/SLE/ SMILES_Largest_Fragment_Open_Babel InChIKey_largestFragment REACH_EC_List_Number|CAS_Number|Name UBA Report 126/2019 https://zenodo.org/record/3653164/files/INDOORCT16_merged.csv S35_INDOORCT16 S35.0.1.1 6-Feb-20 10.5281/zenodo.3653164 https://www.norman-network.com/nds/SLE/ No SMILES InChIKey Name 10.1007/s00216-019-01615-6 https://zenodo.org/record/2653032/files/EXPOSOMEXPL_wDTXSIDs_24012019.csv S34_EXPOSOMEXPL S34.0.1.0 24-Jan-19 10.5281/zenodo.2653032 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME 10.1093/nar/gkw980 https://zenodo.org/record/4248748/files/SOLUTIONSMLOS.csv S33_SOLUTIONSMLOS S33.0.1.3 6-Nov-20 10.5281/zenodo.2653022 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|EC_number|CAS_number https://zenodo.org/record/4248826/files/REACH2017_fixedSMILES.csv S32_REACH2017 S32.0.1.4 6-Nov-20 10.5281/zenodo.2653020 https://www.norman-network.com/nds/SLE/ Identifier fixed_SMILES InChIKey NAME|EC|CAS https://zenodo.org/record/2653017/files/WRTMSD_wDTXSIDs_24012019.csv S31_WRTMSD S31.0.1.0 24-Jan-19 10.5281/zenodo.2653017 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME 10.1002/jms.3185 https://zenodo.org/record/2653012/files/PhenolicAntioxidants_KEMI_NILU_Jan2019.csv S30_PHENANTIOX S30.0.1.0 23-Jan-19 10.5281/zenodo.2653012 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME https://zenodo.org/record/3548844/files/TPPT_Phytotoxins_wDTXSIDs_20112019.csv S29_PHYTOTOXINS S29.0.1.1 27-Jun-18 10.5281/zenodo.3548844 https://www.norman-network.com/nds/SLE/ Phytotoxin_number Stereo_SMILES InChIKey Phytotoxin_name Major_plant_genus|Additional_plant_genus|PSM_class 10.1021/acs.jafc.8b01639 https://zenodo.org/record/3542001/files/EUBIOCIDES_30072018.csv S28_EUBIOCIDES S28.0.1.0 30-Jul-18 10.5281/zenodo.3542001 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY Individual_substance|Acronym|CAS_nr https://zenodo.org/record/3542085/files/KWRSJERPS2_WatResSI.csv S27_KWRSJERPS2 S27.0.1.0 21-Jun-18 10.5281/zenodo.3542085 https://www.norman-network.com/nds/SLE/ Cas-number|Name 10.1016/j.watres.2016.02.034 https://zenodo.org/record/2648816/files/AAFC_Mycotoxins_Jan2019.csv S26_MYCOTOXINS S26.0.1.0 21-Jun-18 10.5281/zenodo.2648816 https://www.norman-network.com/nds/SLE/ FIRST_ACCESSION SMILES InChIKey NAME|Name2|Name3 https://zenodo.org/record/3653165/files/OECDPFAS_list_22012019.csv S25_OECDPFAS S25.0.1.2 6-Feb-20 10.5281/zenodo.3653165 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY CASRN|PREFERRED_NAME ENV/JM/MONO(2018)7 https://zenodo.org/record/3542097/files/HUMANNEUROTOX-2018-06-19-15-34-35.csv S24_HUMANNEUROTOX S24.0.1.0 19-Jun-18 10.5281/zenodo.3542097 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY CASRN|PREFERRED_NAME 10.1016/S0140-6736(06)69665-7|10.1039/C9EM00068B https://zenodo.org/record/2648765/files/SurfactantSuspects_EI_UBA_15032018_wDTXSIDs.csv S23_EIUBASURF S23.0.1.0 19-Jun-18 10.5281/zenodo.2648765 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name|DID number|Initial Mixture https://zenodo.org/record/2648759/files/EPA_ConsumerProductSuspects_01032018.csv S22_EPACONS S22.0.1.0 1-Mar-18 10.5281/zenodo.2648759 https://www.norman-network.com/nds/SLE/ SMILES INCHI KEY PREFERRED NAME|IUPAC NAME 10.1021/acs.est.7b04781 https://zenodo.org/record/2632411/files/UoAthens_TargetList_08032018.csv S21_UATHTARGETS S21.0.1.0 8-Mar-18 10.5281/zenodo.2632411 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name 10.1016/j.envint.2019.03.060 https://zenodo.org/record/3779854/files/S20_BISPHENOLS_KEMI_NILU_01052020.csv S20_BISPHENOLS S20.0.2.0 1-May-20 10.5281/zenodo.3779854 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name_KEMI|Name_NILU|Name_CompTox|IUPAC_Name KEMI Report 5/17 https://zenodo.org/record/3542104/files/mzCloud_Compounds_01042019.csv S19_MZCLOUD S19.0.1.0 1-Apr-19 10.5281/zenodo.3542104 https://www.norman-network.com/nds/SLE/ SMILES InChIKey ChemicalName|CAS_RN https://zenodo.org/record/3542115/files/surfactants2_TSCA_PEG.csv S18_TSCASURF_TSCA_PEG S18.0.1.0 25-Jul-17 10.5281/zenodo.3542115 https://www.norman-network.com/nds/SLE/ CAS|Name https://zenodo.org/record/3542115/files/tsca_peg_questionable.csv S18_TSCASURF_TSCA_QUEST S18.0.1.0 25-Jul-17 10.5281/zenodo.3542115 https://www.norman-network.com/nds/SLE/ CAS_No|Name https://zenodo.org/record/3959394/files/KEMI_MarketList_29122017_fixedIKs.csv S17_KEMIMARKET S17.0.1.4 6-Feb-20 10.5281/zenodo.2628786 https://www.norman-network.com/nds/SLE/ Smiles InChIKey Name|CASno https://zenodo.org/record/2624325/files/French_List_08052017.csv S16_FRENCHLIST S16.0.1.0 8-May-17 10.5281/zenodo.2624325 https://www.norman-network.com/nds/SLE/ FrenchList_ID MS_SMILES MS_InChIKey Use_category_France https://zenodo.org/record/2624273/files/NORMAN_PriorityList_2016.csv S15_NORMANPRI S15.0.1.0 16-May-17 10.5281/zenodo.2624273 https://www.norman-network.com/nds/SLE/ mol_ID SMILES Name https://zenodo.org/record/3959386/files/Merged_CosmeticProducts_04052017.csv S13_EUCOSMETICS S13.0.1.3 28-May-20 10.5281/zenodo.2624118 https://www.norman-network.com/nds/SLE/ NORMAN_ID SMILES Name Source https://zenodo.org/record/2623816/files/NormaNEWS_V4_26042017_wDTXSIDs.csv S12_NORMANEWS S12.0.1.0 8-May-17 10.5281/zenodo.2623816 https://www.norman-network.com/nds/SLE/ NORMAN_ID SMILES Name 10.1021/acs.est.8b00365 https://zenodo.org/record/2623741/files/SwissPesticides_TableS1_CASfix_wDTXSIDs.csv S11_SWISSPEST S11.0.1.0 8-May-17 10.5281/zenodo.2623741 https://www.norman-network.com/nds/SLE/ mol_ID SMILES NAME 10.1021/ac4021598 https://zenodo.org/record/2623485/files/SwissPharma_TablesS2_CASfix_wDTXSIDs.csv S10_SWISSPHARMA S10.0.1.0 2-May-17 10.5281/zenodo.2623485 https://www.norman-network.com/nds/SLE/ mol_ID SMILES NAME 10.1021/acs.est.5b03332 https://zenodo.org/record/3542121/files/PFASTRIER_26112015.csv S9_PFASTRIER S9.0.1.0 26-Nov-15 10.5281/zenodo.3542121 https://www.norman-network.com/nds/SLE/ Cpd|IUPAC|CAS https://zenodo.org/record/2621980/files/GagoFerrero_etal_2015_SuspectsNontargets_wDTXSIDs.csv S8_ATHENSSUS S8.0.1.0 28-Jan-16 10.5281/zenodo.2621980 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name 10.1021/acs.est.5b03454 https://zenodo.org/record/2621957/files/Antibiotics_ITN_MSCA_ANSWER_160616_wDTXSIDs.csv S6_ITNANTIBIOTIC S6.0.1.0 14-Jun-16 10.5281/zenodo.2621957 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|CAS 10.1016/j.ijheh.2019.01.004 https://zenodo.org/record/2621942/files/NormanTargetSuspects-KWR_withStruct_DTXSIDs.csv S5_KWRSJERPS S5.0.1.0 15-Mar-16 10.5281/zenodo.2621942 https://www.norman-network.com/nds/SLE/ Structure_SMILES InChIKey Name|CAS_No 10.1016/j.watres.2016.02.034 https://zenodo.org/record/2621917/files/Bade_etal_544Compounds_wInChIs_DTXSIDs.csv S4_UJIBADE S4.0.1.0 28-Nov-15 10.5281/zenodo.2621917 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name|CAS 10.1016/j.scitotenv.2015.08.078 https://zenodo.org/record/3544805/files/PFAS_KEMI_StructOnly_25072017.csv S14_KEMIPFAS S14.0.1.1 1-Feb-17 10.5281/zenodo.3544805 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME|CASRN|CASno|ECno|Name KEMI Report 7/15 https://zenodo.org/record/2621479/files/Targ_Sus_NT-wID_GC_final_31102016_wDTXSIDs.csv S3_NORMANCT15_GC S3.0.1.0 31-Oct-16 10.5281/zenodo.2621479 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name|CAS 10.1007/s00216-015-8681-7 https://zenodo.org/record/2621479/files/Targ_Sus_NT-wID_LC_final_31102016_wDTXSIDs.csv S3_NORMANCT15_LC S3.0.1.0 31-Oct-16 10.5281/zenodo.2621479 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name|CAS 10.1007/s00216-015-8681-7 https://zenodo.org/record/3900133/files/STOFF-IDENT_Cmpds_06092017.csv S2_STOFFIDENT S2.0.1.2 6-Sep-17 10.5281/zenodo.2621451 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|CAS https://zenodo.org/record/3547224/files/S59_Natural_Products_Insecticides_v2.csv S59_NPINSECT S59.0.2.0 19-Nov-19 10.5281/zenodo.3547224 https://www.norman-network.com/nds/SLE/ Identifier MS_Ready_SMILES StdInChIKey Name|CAS|Synonyms https://zenodo.org/record/3766352/files/S60_SWISSPEST19_25042020.csv S60_SWISSPEST19 S60.0.1.1 17-Nov-19 10.5281/zenodo.3544760 https://www.norman-network.com/nds/SLE/ SMILES_MS_Ready InChIKey Name|Synonym|CAS_RN 10.1016/j.watres.2019.114972 https://zenodo.org/record/3549934/files/Surfactant_Suspects_Schymanski_etal_2014_wStruct.csv S7_EAWAGSURF S7.0.2.0 21-Nov-19 10.5281/zenodo.3549934 https://www.norman-network.com/nds/SLE/ SMILES InChIKeys SurfactantCode|Name 10.1021/es4044374 https://zenodo.org/record/3966751/files/TableS1_CCS_RT_mz_DB_IUPA_charge.csv S61_UJICCSLIB S61.0.1.2 21-Nov-19 10.5281/zenodo.3549476 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name 10.1021/acs.est.0c05713 https://zenodo.org/record/3634963/files/NORMANEWS2_Final.csv S62_NORMANEWS2 S62.0.1.0 3-Feb-20 10.5281/zenodo.3634963 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|ShortName|CAS https://zenodo.org/record/3637630/files/S63_UBADWGW_Nov2019.csv S63_UBADWGW S63.0.1.0 4-Feb-20 10.5281/zenodo.3637630 https://www.norman-network.com/nds/SLE/ SMILES_Largest_Fragment_Open_Babel InChIKey_largestFragment REACH_EC_List_Number|CAS_Number|Name UBA Report 126/2019 https://zenodo.org/record/3695174/files/S64_NaToxAq_natural_toxins_in_MassBank.csv S64_NATOXAQ S64.0.1.0 3-Mar-20 10.5281/zenodo.3695174 https://www.norman-network.com/nds/SLE/ SMILES InChIKey NAME|CAS_RN https://natoxaq.ku.dk/ https://zenodo.org/record/3753372/files/UoAthens_GC-HRMS_TargetList.csv S65_UATHTARGETSGC S65.0.1.0 15-Apr-20 10.5281/zenodo.3753372 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name|CAS https://zenodo.org/record/3829088/files/EawagTPandParents.csv S66_EAWAGTPS S66.0.1.2 15-May-20 10.5281/zenodo.3754448 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|Synonym1|Synonym2|Abbr_Synonym 10.1007/s13361-017-1797-6 https://zenodo.org/record/3779849/files/TBUTYLPHENOLS_May2020.csv S67_TBUTYLPHENOLS S67.0.1.0 1-May-20 10.5281/zenodo.3779849 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY PREFERRED_NAME|IUPAC_NAME|CASRN https://zenodo.org/record/3890392/files/S68_HSDBTPS_StructureInfoOnly.csv S68_HSDBTPS S68.0.1.2 11-Jun-20 10.5281/zenodo.3827487 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|Synonym|Synonym2 https://zenodo.org/record/5145471/files/S69_LUXPEST.csv S69_LUXPEST S69.0.1.1 29-Jul-21 10.5281/zenodo.3862688 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|CASRN https://zenodo.org/record/3894828/files/S70_EISUSGCEIMS.csv S70_EISUSGCEIMS S70.0.1.0 15-Jun-20 10.5281/zenodo.3894827 https://www.norman-network.com/nds/SLE/ SMILES StdInChIKey Name|CAS https://zenodo.org/record/3956587/files/HBM4EU_CECscreen_DB_v3.1.csv S71_CECSCREEN S71.0.1.0 22-Jul-20 10.5281/zenodo.3956586 https://www.norman-network.com/nds/SLE/ source_SMILES CompoundName_main|CAS_main 10.1016/j.envint.2021.106511 https://zenodo.org/record/3955665/files/NTUPHTW_20200708.csv S72_NTUPHTW S72.0.1.0 22-Jul-20 10.5281/zenodo.3955664 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|IUPAC_Name|CAS 10.1016/j.scitotenv.2020.141519 https://zenodo.org/record/4247792/files/MetXBioDB_substances.csv S73_METXBIODB S73.0.1.3 5-Nov-20 10.5281/zenodo.4056560 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name|Synonym|Synonym2 10.1186/s13321-016-0115-9/ https://zenodo.org/record/5708794/files/S74_REFTPS_Substances.csv S74_REFTPS S74.0.4.1 17-Nov-21 10.5281/zenodo.4318838 https://www.norman-network.com/nds/SLE/ SMILES InChIKey Name|Synonym https://zenodo.org/record/4562688/files/CyanoMetDB_WR_Feb2021.csv S75_CYANOMETDB S75.0.1.1 25-Feb-21 10.5281/zenodo.4551528 https://www.norman-network.com/nds/SLE/ CyanoMetDB_Identifier SMILES InChlKey InChI CompoundName_CSV|Synonyms|IUPAC_name 10.1101/2020.04.16.038703 | 10.1016/j.watres.2021.117017 https://zenodo.org/record/4587356/files/LUXPHARMA.csv S76_LUXPHARMA S76.0.1.0 6-Mar-21 10.5281/zenodo.4587355 https://www.norman-network.com/nds/SLE/ SMILES INCHIKEY INCHI_STRING CNS_Numero_National|INPUT|PREFERRED_NAME https://zenodo.org/record/4660126/files/FCCdb_FINAL_LIST_v5_wStructures.csv S77_FCCDB S77.0.1.1 2-Apr-21 10.5281/zenodo.4625495 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name|CAS number or CFSAN id 10.1016/j.envint.2020.106225|10.5281/zenodo.4296944 https://zenodo.org/record/4746158/files/SLUPestTPs_suspects.csv S78_SLUPESTTPS S78.0.1.2 10-May-21 10.5281/zenodo.4687924 https://www.norman-network.com/nds/SLE/ SMILES_curated InChIKey InChI Systematic_name|Substance_name_in_PPDB|CAS_RN 10.1021/acs.est.1c00466 https://zenodo.org/record/4744929/files/UACCSCEC_ac1c00142_si_002_TS-5.csv S79_UACCSCEC S79.0.1.2 10-May-21 10.5281/zenodo.4704648 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name|Abbreviation 10.1021/acs.analchem.1c00142 https://zenodo.org/record/5029174/files/PFASGLUEGE_Substances.csv S80_PFASGLUEGE S80.0.1.0 25-Jun-21 10.5281/zenodo.5029173 https://www.norman-network.com/nds/SLE/ Substance_ID SMILES InChIKey InChI Name 10.1039/D0EM00291G https://zenodo.org/record/5395357/files/S81_THSTPS_20210831.csv S81_THSTPS S81.0.1.1 2-Sep-21 10.5281/zenodo.5394629 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name|IUPAC_Name https://zenodo.org/record/5500132/files/EAWAGPMT_SuspectList_Kiefer_et_al2021.csv S82_EAWAGPMT S82.0.1.0 10-Sep-21 10.5281/zenodo.5500131 https://www.norman-network.com/nds/SLE/ MS_ready_SMILES MS_ready_InChIKey InChI Name 10.1016/j.watres.2021.116994 https://zenodo.org/record/5720185/files/CCL5.csv S83_CCL5 S83.0.1.1 23-Nov-21 10.5281/zenodo.5533801 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name|Synonym https://zenodo.org/record/5535288/files/UFZ_HSF_SuspectList_PM_candidates_210909.csv S84_UFZHSFPMT S84.0.1.0 29-Sep-21 10.5281/zenodo.5535287 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Substance_Name 10.1016/j.watres.2021.117645 | 10.5281/zenodo.5503379 https://zenodo.org/record/5665356/files/MICROCYSTINS.csv S85_MICROCYSTINS S85.0.1.0 10-Nov-21 10.5281/zenodo.5665355 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name https://zenodo.org/record/5710244/files/TATTOOINK.csv S86_TATTOOINK S86.0.1.0 18-Nov-21 10.5281/zenodo.5710243 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Synonym|EC No|CASRN