GET /compound/fastsubstructure/smiles/{smiles}/cids/{format}

nih.gov:pubchem-pug-rest

Summary: Substructure search by SMILES
Operation ID: substructureSearchBySmiles
Auth: unknown
Description

Search for compounds containing the given SMILES as a substructure. Use MaxRecords parameter to limit results.

Parameters (3)

MaxRecords (integer, query, optional)

Maximum number of records to return

Constraints: {'minimum': 1, 'maximum': 10000}

format (string, path, required)

Response format

Constraints: {'enum': ['JSON', 'XML', 'TXT']}

smiles (string, path, required)

SMILES substructure to search for

Examples (1)

TitleTypeURLAction
Substructure search by SMILES openapi-spec https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsubstructure/smiles/CC(=O)O/cids/JSON?MaxRecords=100

Probe History

Latency

Status Codes

TimeStatusLatencySize
2026-03-23 09:21:21.713650 200 1111ms