wd_maintenance_chemicals_smiles_isomeric_incorrect_mass

• License: https://creativecommons.org/publicdomain/zero/1.0/

rq turtle/ttl

• maintenance
• chemicals

Chemicals with isomeric SMILES and eventual incorrect mass.

Use at

• https://query.wikidata.org/sparql

PREFIX wd: <http://www.wikidata.org/entity/>
PREFIX wdt: <http://www.wikidata.org/prop/direct/>
#title: Chemicals with isomeric SMILES and eventual incorrect mass
SELECT ?structure ?smiles ?mass WHERE {
    VALUES ?classes {
        wd:Q113145171
        wd:Q59199015
    }
    ?structure wdt:P2017 ?smiles.
    ?structure wdt:P31 ?classes.
    ?structure wdt:P2067 ?mass.
}

graph TD
classDef projected fill:lightgreen;
classDef literal fill:orange;
classDef iri fill:yellow;
  v1("?classes")
  v4("?mass"):::projected 
  v3("?smiles"):::projected 
  v2("?structure"):::projected 
  bind0[/VALUES ?classes/]
  bind0-->v1
  bind00(["wd:Q113145171"])
  bind00 --> bind0
  bind01(["wd:Q59199015"])
  bind01 --> bind0
  v2 --"wdt:P2017"-->  v3
  v2 --"wdt:P31"-->  v1
  v2 --"wdt:P2067"-->  v4