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Resolve SMILES and InChI structures with PubChem
Created by
Stas Persiianenko
Resolve real SMILES and InChI identifiers through official PubChem routes and export canonical structures, InChIKeys, properties, and provenance.
PubChem Compounds Scraperautomation-lab/pubchem-compound-batch-lookup
Input
Input type
Status
CID
+8 fieldsTextNumberBooleanListObject
Input
Compounds to resolve(required)
Identifier value(required):CC(=O)OC1=CC=CC=C1C(=O)O+1
Identifier type:smiles+1
Maximum output records:2
Maximum matches per input:1
Maximum synonyms per compound:5
Output fields
Input
Input type
Status
CID
Compound
Formula
Molecular weight
Canonical SMILES
InChIKey
Synonyms
PubChem
Retrieved
Sign up on Apify01
Create your Apify account to access the PubChem Compounds Scraper.
Start the run02
The Actor will start running based on the input automatically.
Receive the output03
Monitor the progress in real-time. You will be notified as soon as your dataset is complete and ready for review.
Integrate into your workflow04
The final output is delivered in JSON, CSV, or Excel format, ready to be plugged into your workflow.
