updated S98

...to add TIRECRUMB thanks to Hiba. Mirroring an attempted commit to our new location (which is not working to commit yet)

deposition/NORMAN_SLE_classification.txt

@@ -97,7 +97,7 @@ https://zenodo.org/records/6201559/files/FLUOROPEST_InChIKey.txt	S94 | FLUOROPES
 https://zenodo.org/records/6384310/files/PFASANEXCH_InChIKey.txt	S95 | PFASANEXCH | PFAS List from the NORMAN PFAS Analytical Exchange Activity	"A list from the PFAS Analytical Exchange Activity, part of NORMAN Joint Programme of Activities (JPA) 2021 coordinated by UK Environment Agency. This activity aimed to gain an understanding of the current analytical capability of PFAS, such as Limit of Detection (LOD) in participating international laboratories. Dataset DOI: 10.5281/zenodo.6384309"	https://doi.org/10.5281/zenodo.6384309	PFAS	part	med	
 https://zenodo.org/records/7453882/files/S96_ECIPFAS_InChIKeys.txt	S96 | ECIPFAS | Updatable List to add PFAS Structures to Public Resources from ECI (UniLu)	"This dataset is for users to contribute PFAS from the literature or other documents to the NORMAN SLE, SusDat and PubChem. Note that the role of this list is to enable the addition of new PFAS into databases and is not intended to be a comprehensive PFAS listing. The start of this collection was all PFAS entries in the S74_REFTPS dataset, which includes also legacy PFAS. Dataset DOI: 10.5281/zenodo.6389740"	https://doi.org/10.5281/zenodo.6389740	PFAS	no	low	
 https://zenodo.org/records/6405326/files/UBABPAALT_InChIKeys.txt	S97 | UBABPAALT | List of Bisphenol A Alternatives from UBA	A  list of Bisphenol A alternatives provided by UBA (German Environment Agency) from UBA Report 123/2019 (https://www.umweltbundesamt.de/en/publikationen/bewertung-des-endokrinen-potenzials-von-bisphenol). Dataset DOI:10.5281/zenodo.6405325	https://doi.org/10.5281/zenodo.6405325	Use|Plastics	yes	med	Interesting use & reference information
-https://zenodo.org/records/6405359/files/TIRECHEM_InChIKeys.txt	S98 | TIRECHEM | Tire-Related Chemicals in Environment from Literature	This list includes tire-related chemicals found in the environment plus analytical data from literature studies and will be expanded as new data is published. Dataset DOI:10.5281/zenodo.6405358	https://doi.org/10.5281/zenodo.6405358	Tire|MS|NMR	yes	high	Detailed MS data for chemicals
+https://zenodo.org/records/11185511/files/S98_TIRECHEM_InChIKey_20240513.txt	S98 | TIRECHEM | Tire-Related Chemicals in Environment from Literature	This list includes tire-related chemicals found in the environment plus analytical data from literature studies and will be expanded as new data is published. Dataset DOI:10.5281/zenodo.6405358	https://doi.org/10.5281/zenodo.6405358	Tire|MS|NMR	yes	high	Detailed MS data for chemicals
 https://zenodo.org/records/7375702/files/S99_ANSESEDC_InChIKey.txt	S99 | ANSESEDC | List of potential endocrine disrupting compounds (EDCs) from ANSES	"A list of 908 potential endocrine disrupting compounds (EDCs) from ANSES, the French Agency for Food, Environmental and Occupational Health & Safety (https://www.anses.fr/en) to be assessed for their endocrine disrupting properties under France's Second National Endocrine Disruptor Strategy (SNPE 2, see https//www.anses.fr/en/content/accelerating-assessment-endocrine-disruptors). Endocrine disruptors (EDs) are substances that interfere with the hormonal functions of humans and animals. List kindly provided by Sandrine Andres, INERIS. Dataset DOI: 10.5281/zenodo.7375701."	https://doi.org/10.5281/zenodo.7375701	EDC	yes	med	
 https://zenodo.org/records/7436202/files/S100_PFASREACH_InChIKey.txt	S100 | PFASREACH | List of PFAS identified in REACH 2019	"A list of 437 PFAS identified in Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) Reg. (EC) No 1272/2008 (https://eur-lex.europa.eu/eli/reg/2008/1272) list from September 2019. Of these, 17 are produced at >1000 tonnes/year and 84 at >10 tonnes per year for use in Europe. Collaborative effort between Hans Peter Arp (NGI) and Emma Schymanski (LCSB) within ZeroPM (EU H2020 grant 101036756, https://zeropm.eu/). Dataset DOI: 10.5281/zenodo.7426856"	https://doi.org/10.5281/zenodo.7426856	PFAS	Yes	med	
 https://zenodo.org/records/7327063/files/S101_MTMDUST_InChIKey.txt	S101 | MTMDUST | List of chemicals characterised in indoor dust samples	A list of 300 chemicals characterised with identification confidence level of >= 3 found in retrospective analysis of 30 dust samples from 4 different indoor settings described in Dubocq et al. (2022) DOI: 10.20517/jeea.2022.23. Dataset DOI: 10.5281/zenodo.7327062	https://doi.org/10.5281/zenodo.7327062	Dust|MS|TP|Use		med	Detailed MS data for chemicals

deposition/NORMAN_SLE_mappings.txt

@@ -99,7 +99,7 @@ https://zenodo.org/records/6201559/files/FLUOROPEST.csv	S94_FLUOROPEST	S94.0.1.0
 https://zenodo.org/records/6384310/files/PFASANEXCH.csv	S95_PFASANEXCH	S95.0.1.0	25-Mar-22	10.5281/zenodo.6384309	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	PFAS_Substance|Abbreviation1|Abbreviation2			TRUE	
 https://zenodo.org/records/7453882/files/S96_ECIPFAS_Substances.csv	S96_ECIPFAS	S96.0.4.0	18-Dec-22	10.5281/zenodo.6389740	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey		Name|Synonym			TRUE	
 https://zenodo.org/records/6405326/files/UBABPAALT.csv	S97_UBABPAALT	S97.0.1.0	1-Apr-22	10.5281/zenodo.6405325	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|Synonym1|Synonym2			FALSE	
-https://zenodo.org/records/6405359/files/TIRECHEM.csv	S98_TIRECHEM	S98.0.1.0	1-Apr-22	10.5281/zenodo.6405358	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|Synonym|Synonym2		10.1126/science.abd6951|10.1021/acs.est.1c07451	FALSE	
+https://zenodo.org/records/11185511/files/S98_TIRECHEM_20240513.csv	S98_TIRECHEM	S98.0.2.0	13-May-24	10.5281/zenodo.6405358	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|Synonym|Abbreviation		10.1126/science.abd6951|10.1021/acs.est.1c07451	FALSE	
 https://zenodo.org/records/7375702/files/S99_ANSESEDC_reformatted.csv	S99_ANSESEDC	S99.0.1.0	29-Nov-22	10.5281/zenodo.7375701	https://www.norman-network.com/nds/SLE/	Line_Number	SMILES	InChIKey	InChI	Name|EC_Number|CAS_Number			FALSE	some names with char errors
 https://zenodo.org/records/7436202/files/S100_PFASREACH.csv	S100_PFASREACH	S100.0.1.1	14-Dec-22	10.5281/zenodo.7426856	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|EC_Number|CAS_RN			FALSE	char issues in names
 https://zenodo.org/records/7327063/files/S101_MTMDUST.csv	S101_MTMDUST	S101.0.1.0	16-Nov-22	10.5281/zenodo.7327062	https://www.norman-network.com/nds/SLE/		SMILES	InChIKey	InChI	Name|Common_Name|IUPAC_Name		10.20517/jeea.2022.23	FALSE