@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix chemdcatap: <https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix obi: <http://purl.obolibrary.org/obo/OBI_> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .

<https://doi.org/10.57992/nmrxiv.p91.s823.d4071> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "No description" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p91.s823.d4071" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p91.s823.d4071#sample> ;
    dct:title "ps.nie7074.CBT1886_F10_p2.220701_cmp4_manus[5]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p91.s823.d4071#measurement> .

<http://id.loc.gov/vocabulary/iso639-1/en> a dct:LinguisticSystem .

obi:0000070 a schema1:DefinedTerm ;
    schema1:name "assay" .

<https://doi.org/10.57992/nmrxiv.p91.s823.d4071#measurement> a obi:0000070,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p91.s823.d4071#sample> .

<https://doi.org/10.57992/nmrxiv.p91.s823.d4071#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "N#CC1=C(N2C(Br)=C(Br)C3=C2C=CC(Br)=C3)NC2=C1C=C(Br)C=C2" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C17H7Br4N3/c18-8-1-3-13-10(5-8)12(7-22)17(23-13)24-14-4-2-9(19)6-11(14)15(20)16(24)21/h1-6,23H" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "DVMLGFNWBPSSPN-UHFFFAOYSA-N" ] .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p91.s823.d4071#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p91.s823.d4071#sample_compound> ;
    dct:title "evaluated sample" .