{output}: Substructure search

API: nih.gov:pubchem-api
Endpoint: /pug/compound/fastsubstructure/smiles/{smiles}/cids/{output}
Response format: unknown
Auth: unknown
Method: GET
Last Status: 200
Latency: 1159ms

Description

Search for compounds containing the given substructure (SMILES pattern).

Parameters (3)

MaxRecords (integer, query, optional)

Maximum number of results to return

output (string, path, required)

Output format

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

smiles (string, path, required)

SMILES pattern for the substructure to search (e.g., 'c1ccccc1' for benzene ring)

Examples (1)

Substructure search openapi-spec
curl 'https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsubstructure/smiles/c1ccccc1/cids/JSON?MaxRecords=10'
import requests

resp = requests.get(
    "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsubstructure/smiles/c1ccccc1/cids/JSON",
    params={
        'MaxRecords': '10',
    },
)
data = resp.json()
import zingu_apis

api = zingu_apis.api("pubchem")
result = api.fetch("pug/compound/fastsubstructure/smiles/{smiles}/cids/{output}", MaxRecords=10)

for item in result:
    print(item)
const resp = await fetch("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsubstructure/smiles/c1ccccc1/cids/JSON?MaxRecords=10");
const data = await resp.json();

Probe History

Latency

Status Codes

TimeStatusLatencySize
2026-04-16 01:52:39.149926 200 1159ms
2026-04-15 03:16:48.504506 200 1973ms
2026-04-14 00:19:17.468314 200 1239ms
2026-04-12 12:30:24.249263 200 1225ms
2026-04-10 06:46:55.633918 200 1342ms
2026-04-09 00:55:09.552651 200 1679ms