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POST
/
api
/
pubchem
/
compounds
/
search
/pubchem/compounds/search
curl --request POST \
  --url https://api.anysite.io/api/pubchem/compounds/search \
  --header 'Content-Type: application/json' \
  --header 'access-token: <api-key>' \
  --data '
{
  "query": "<string>",
  "count": 2,
  "timeout": 300,
  "namespace": "name",
  "match": "exact"
}
'
[
  {
    "id": 123,
    "url": "<string>",
    "@type": "@pubchem_compound",
    "title": "<string>",
    "iupac_name": "<string>",
    "molecular_formula": "<string>",
    "molecular_weight": "<string>",
    "smiles": "<string>",
    "connectivity_smiles": "<string>",
    "inchi": "<string>",
    "inchi_key": "<string>",
    "xlogp": 123,
    "tpsa": 123,
    "complexity": 123,
    "charge": 123,
    "exact_mass": "<string>",
    "monoisotopic_mass": "<string>",
    "h_bond_donor_count": 123,
    "h_bond_acceptor_count": 123,
    "rotatable_bond_count": 123,
    "heavy_atom_count": 123,
    "covalent_unit_count": 123,
    "atom_stereo_count": 123,
    "defined_atom_stereo_count": 123,
    "undefined_atom_stereo_count": 123,
    "bond_stereo_count": 123,
    "defined_bond_stereo_count": 123,
    "volume_3d": 123,
    "conformer_count_3d": 123,
    "literature_count": 123,
    "patent_count": 123,
    "patent_family_count": 123,
    "annotation_type_count": 123,
    "description": "<string>",
    "description_source": "<string>",
    "description_url": "<string>",
    "synonyms": []
  }
]

Authorizations

​
access-token
string
header
required

API token from the dashboard

Headers

​
access-token
string
required

Body

application/json
​
query
string
required

Search query — a chemical name, SMILES string, or InChIKey

Minimum string length: 1
Examples:

"aspirin"

"CC(=O)OC1=CC=CC=C1C(=O)O"

"BSYNRYMUTXBXSQ-UHFFFAOYSA-N"

​
count
integer
required

Max result count

Required range: x >= 1
​
timeout
integer
default:300

Max scrapping execution timeout (in seconds)

Required range: 20 <= x <= 1500
​
namespace
enum<string>
default:name

Type of the query value

Available options:
name,
smiles,
inchikey
​
match
enum<string>
default:exact

Name matching mode (applies only when namespace is 'name'): 'exact' returns the single best-matching compound, 'word' returns all compounds whose name contains the query word

Available options:
exact,
word

Response

Successful Response

​
id
integer
required
​
url
string
required
​
@type
string
default:@pubchem_compound
​
title
string | null
​
iupac_name
string | null
​
molecular_formula
string | null
​
molecular_weight
string | null
​
smiles
string | null
​
connectivity_smiles
string | null
​
inchi
string | null
​
inchi_key
string | null
​
xlogp
number | null
​
tpsa
number | null
​
complexity
number | null
​
charge
integer | null
​
exact_mass
string | null
​
monoisotopic_mass
string | null
​
h_bond_donor_count
integer | null
​
h_bond_acceptor_count
integer | null
​
rotatable_bond_count
integer | null
​
heavy_atom_count
integer | null
​
covalent_unit_count
integer | null
​
atom_stereo_count
integer | null
​
defined_atom_stereo_count
integer | null
​
undefined_atom_stereo_count
integer | null
​
bond_stereo_count
integer | null
​
defined_bond_stereo_count
integer | null
​
volume_3d
number | null
​
conformer_count_3d
integer | null
​
literature_count
integer | null
​
patent_count
integer | null
​
patent_family_count
integer | null
​
annotation_type_count
integer | null
​
description
string | null
​
description_source
string | null
​
description_url
string | null
​
synonyms
string[]