（１） What is the URL of the MDR where the materials linked to the PubChem CID are registered, and what are the SMILES and molecular weights published in PubChem?
Total 103 Works

prefix compound: <http://rdf.ncbi.nlm.nih.gov/pubchem/compound/> 
prefix obo: <http://purl.obolibrary.org/obo/>
prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#>
prefix sio: <http://semanticscience.org/resource/>
prefix skos: <http://www.w3.org/2004/02/skos/core#>

SELECT distinct ?label ?url ?smiles ?mw

WHERE {
  ?qid skos:closeMatch ?cid .
  ?mdr obo:RO_0000057 ?qid ;
       rdfs:label ?label ;
       rdfs:seeAlso ?url .
  SERVICE <https://integbio.jp/rdf/pubchem/sparql>{
    ?cid sio:has-attribute ?attribute.
    ?attribute a sio:CHEMINF_000376;
               sio:has-value ?smiles .
    ?cid sio:has-attribute ?attribute2.
    ?attribute2 a sio:CHEMINF_000338;
               sio:has-value ?mw.
  }
} order by ?mw


(2) What is the URI, title, and URL of the MDR where the materials linked to the PubChem CID and the reference samples that can be compared to them are registered?
Total 1,185 works

PREFIX dcterms: <http://purl.org/dc/terms/>
prefix compound: <http://rdf.ncbi.nlm.nih.gov/pubchem/compound/> 
prefix mdr: <http://dice.nims.go.jp/ontology/mdr-ont#>
prefix mdr-xafs: <http://dice.nims.go.jp/ontology/mdr-xafs-ont/Schema#>
prefix otsf-rdf: <http://dice.nims.go.jp/ontology/mdr-xafs-ont/Otsf-rdf#>
prefix obo: <http://purl.obolibrary.org/obo/>
prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#>
prefix sio: <http://semanticscience.org/resource/>
prefix skos: <http://www.w3.org/2004/02/skos/core#>
prefix wd: <http://dice.nims.go.jp/ontology/mdr-xafs-ont/Item#>

SELECT distinct ?mdr2 ?title ?url

WHERE {
  ?qid skos:closeMatch ?cid .
  ?mdr obo:RO_0000057 ?qid ;
       obo:RO_0000057 ?qid2 .
  ?mdr2 obo:RO_0000057 ?qid2 ;
        rdfs:label ?title ;
        rdfs:seeAlso ?url .
}