# エントリーとPDBのリンクの一覧の表示
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX PDBc: <https://rdf.wwpdb.org/cc/>
SELECT DISTINCT ?entry ?pdb_link
FROM <http://purl.jp/bio/5/ligandbox/>
FROM <http://rdfportal.org/rdf/download/liganbox/2021-05-25/ontology-1/ligandbox.owl>
WHERE {
  ?entry rdfs:seeAlso ?pdb_link FILTER regex(str(?pdb_link), "rdf.wwpdb.org/cc/", "i"). 
}
LIMIT 25

# 分子量が1500以上のエントリーの一覧の取得
PREFIX sio: <http://semanticscience.org/resource/>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX cheminf: <http://www.semanticweb.org/ontologies/cheminf.owl#>
SELECT DISTINCT ?entry ?molecular_weight
FROM <http://purl.jp/bio/5/ligandbox/>
FROM <http://rdfportal.org/rdf/download/liganbox/2021-05-25/ontology-1/ligandbox.owl>
WHERE {
  ?entry sio:SIO_000008 _:b0 .
  _:b0 rdf:type sio:CHEMINF_000216 ;
     sio:SIO_000300 ?molecular_weight FILTER ( ?molecular_weight > 1500.0 ) .
}
LIMIT 25

# 分子量が500以上でかつチャージが-1のエントリーの一覧の取得
PREFIX sio: <http://semanticscience.org/resource/>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX cheminf: <http://www.semanticweb.org/ontologies/cheminf.owl#>
SELECT DISTINCT ?entry ?molecular_weight ?molecular_charge
FROM <http://purl.jp/bio/5/ligandbox/>
FROM <http://rdfportal.org/rdf/download/liganbox/2021-05-25/ontology-1/ligandbox.owl>
WHERE {
  ?entry sio:SIO_000008 _:b0 .
  _:b0 rdf:type sio:CHEMINF_000216 ;
       sio:SIO_000300 ?molecular_weight .
  ?entry sio:SIO_000008 _:b1 .
  _:b1 rdf:type sio:CHEMINF_000120 ;
       sio:SIO_000300 ?molecular_charge FILTER ( ?molecular_charge = 1 && ?molecular_weight > 500.0 )
}
LIMIT 25