--- 
- 
  aux_for_url: 0
  base_id_url: https://www.ebi.ac.uk/chembldb/compound/inspect/
  base_id_url_available: 1
  description: A database of bioactive drug-like small molecules and bioactivities abstracted from the scientific literature.
  name: chembl
  name_label: ChEMBL
  name_long: ChEMBL
  src_compound_id: 
    - CHEMBL52416
  src_id: 1
  src_url: https://www.ebi.ac.uk/chembl/
- 
  aux_for_url: 0
  base_id_url: http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=
  base_id_url_available: 1
  description: The IUPHAR (International Union of Basic and Clinical Pharmacology)/BPS (British Pharmacological Society) Guide to PHARMACOLOGY database contains structures of small molecule ligands, peptides and antibodies, with their affinities at protein targets.
  name: gtopdb
  name_label: Guide to Pharmacology
  name_long: Guide to Pharmacology
  src_compound_id: 
    - 6499
  src_id: 4
  src_url: http://www.guidetopharmacology.org
- 
  aux_for_url: 0
  base_id_url: http://www.genome.jp/dbget-bin/www_bget?
  base_id_url_available: 1
  description: KEGG LIGAND is a composite DB consisting of COMPOUND, GLYCAN, REACTION, RPAIR, RCLASS, and ENZYME DBs, whose entries are identified by C, G, R, RP, RC, and EC numbers, respectively.
  name: kegg_ligand
  name_label: KEGG Ligand
  name_long: KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand
  src_compound_id: 
    - C08279
  src_id: 6
  src_url: http://www.genome.jp/kegg/ligand.html
- 
  aux_for_url: 0
  base_id_url: http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI%3A
  base_id_url_available: 1
  description: ChEBI is a freely available dictionary of molecular entities focused on 'small' chemical compounds
  name: chebi
  name_label: ChEBI
  name_long: ChEBI (Chemical Entities of Biological Interest).
  src_compound_id: 
    - 9592
  src_id: 7
  src_url: http://www.ebi.ac.uk/chebi/downloadsForward.do
- 
  aux_for_url: 0
  base_id_url: http://zinc15.docking.org/substances/
  base_id_url_available: 1
  description: A free database of commercially-available compounds for virtual screening, provided by the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF).  [Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82]
  name: zinc
  name_label: ZINC
  name_long: ZINC
  src_compound_id: 
    - ZINC000000897443
  src_id: 9
  src_url: http://zinc15.docking.org
- 
  aux_for_url: 0
  base_id_url: https://www.emolecules.com/cgi-bin/more?vid=
  base_id_url_available: 1
  description: A free chemical structure search engine containing millions of public domain structures. Pricing, availabilities, and vendor information requires an eMolecules Plus subscription.
  name: emolecules
  name_label: eMolecules
  name_long: eMolecules
  src_compound_id: 
    - 532439
  src_id: 10
  src_url: https://www.emolecules.com/
- 
  aux_for_url: 0
  base_id_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/?sid=
  base_id_url_available: 1
  description: The data are provided by IBM-NIH and include all chemistry extracted by means of text and image mining from the patent corpus (USPTO, WIPO and EPO) for patent documents published through 31-12-2010. Identifiers in UniChem are IBM compound identifiers.
  name: ibm
  name_label: IBM Patent System
  name_long: IBM strategic IP insight platform and the National Institutes of Health
  src_compound_id: 
    - 9D60C782486904A3FA5D1C3BC7DAB4E6
  src_id: 11
  src_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/
- 
  aux_for_url: 0
  base_id_url: http://fdasis.nlm.nih.gov/srs/ProxyServlet?mergeData=true&objectHandle=DBMaint&APPLICATION_NAME=fdasrs&actionHandle=default&nextPage=jsp/srs/ResultScreen.jsp&TXTSUPERLISTID=
  base_id_url_available: 1
  description: "The primary goal of the FDA/USP Substance Registration System (SRS) is to unambiguously define all substances present in regulated products. Once a substance has been defined, the SRS assigns a strong identifier that is permanently associated with the substance: a UNII (Unique Ingredient Identifier). This is a a non-proprietary, free, unique, unambiguous, nonsemantic, alphanumeric identifier based on a substances molecular structure and/or descriptive information."
  name: fdasrs
  name_label: FDA SRS
  name_long: FDA/USP Substance Registration System (SRS)
  src_compound_id: 
    - I5792N03HC
  src_id: 14
  src_url: http://fdasis.nlm.nih.gov/srs/srs.jsp
- 
  aux_for_url: 0
  base_id_url: https://www.surechembl.org/chemical/
  base_id_url_available: 1
  description: SureChEMBL automatically extracts chemistry from the full text of all major patent authorities. Compounds are derived from either chemical names found in text or in chemical depictions. All SureChEMBL compounds are included, except those failing UniChem loading rules.
  name: surechembl
  name_label: SureChEMBL
  name_long: SureChEMBL
  src_compound_id: 
    - SCHEMBL15042
  src_id: 15
  src_url: https://www.surechembl.org/search/
- 
  aux_for_url: 0
  base_id_url: http://www.hmdb.ca/metabolites/
  base_id_url_available: 1
  description: "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education. The database is designed to contain or link three kinds of data: 1) chemical data, 2) clinical data, and 3) molecular biology/biochemistry data"
  name: hmdb
  name_label: Human Metabolome Database
  name_long: Human Metabolome Database (HMDB)
  src_compound_id: 
    - HMDB0029608
    - HMDB0001470
  src_id: 18
  src_url: http://www.hmdb.ca
- 
  aux_for_url: 0
  base_id_url: http://pubchem.ncbi.nlm.nih.gov/substance/
  base_id_url_available: 1
  description: "A subset of the PubChem DB: from the original depositor 'Thomson Pharma'."
  name: pubchem_tpharma
  name_label: "PubChem: Thomson Pharma "
  name_long: PubChem ('Thomson Pharma' subset)
  src_compound_id: 
    - 14769262
  src_id: 21
  src_url: http://www.thomson-pharma.com/
- 
  aux_for_url: 0
  base_id_url: http://pubchem.ncbi.nlm.nih.gov/compound/
  base_id_url_available: 1
  description: A database of normalized PubChem compounds (CIDs) from the PubChem Database.
  name: pubchem
  name_label: PubChem
  name_long: PubChem Compounds
  src_compound_id: 
    - 125468
  src_id: 22
  src_url: http://pubchem.ncbi.nlm.nih.gov
- 
  aux_for_url: 0
  base_id_url: http://nmrshiftdb.org/molecule/
  base_id_url_available: 1
  description: An NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users.
  name: nmrshiftdb2
  name_label: NMRShiftDB
  name_long: NMRShiftDB
  src_compound_id: 
    - 20031164
  src_id: 24
  src_url: http://nmrshiftdb.nmr.uni-koeln.de/portal/media-type/html/user/anon/page/default.psml/js_pane/P-Home
- 
  aux_for_url: 0
  base_id_url: http://actor.epa.gov/actor/chemical.xhtml?casrn=
  base_id_url_available: 1
  description: ACToR (Aggregated Computational Toxicology Resource)
  name: actor
  name_label: ACToR
  name_long: ACToR
  src_compound_id: 
    - 80-59-1
    - 13201-46-2
  src_id: 26
  src_url: https://actor.epa.gov
- 
  aux_for_url: 0
  base_id_url: https://www.molport.com/shop/molecule-link/
  base_id_url_available: 1
  description: MolPort. A database designed to assist users find commercial sources of compounds. Access requires (free) registration. Only stock compounds included from Nov 2017.
  name: molport
  name_label: MolPort
  name_long: MolPort
  src_compound_id: 
    - MolPort-001-766-679
  src_id: 28
  src_url: https://www.molport.com/shop/index
- 
  aux_for_url: 0
  base_id_url: http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=
  base_id_url_available: 1
  description: " Nakkaji (The Japan Chemical Substance Dictionary) is an organic compound dictionary database prepared by the Japan Science and Technology Agency (JST)."
  name: nikkaji
  name_label: Nikkaji
  name_long: Nikkaji
  src_compound_id: 
    - J4.252H
    - J100.741F
  src_id: 29
  src_url: http://jglobal.jst.go.jp/en/
- 
  aux_for_url: 0
  base_id_url: https://comptox.epa.gov/dashboard/
  base_id_url_available: 1
  description: The foundation of chemical safety testing relies on chemistry information such as high-quality chemical structures and physicochemical properties. This information is used by scientists to predict the potential health risks of chemicals.The CompTox Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. It provides access to a variety of data and information on over 700,000 chemicals currently in use and of interest to environmental researchers. Within the CompTox Dashboard, users can access chemical structures, experimental and predicted physicochemical and toxicity data, and additional links to relevant websites and applications. It maps curated physicochemical property data associated with chemical substances to their corresponding chemical structures
  name: comptox
  name_label: EPA CompTox Dashboard
  name_long: EPA (Environmental Protection Agency) CompTox Dashboard
  src_compound_id: 
    - DTXSID80883257
  src_id: 32
  src_url: https://comptox.epa.gov/dashboard/
- 
  aux_for_url: 0
  base_id_url: http://www.lipidmaps.org/data/LMSDRecord.php?LMID=
  base_id_url_available: 1
  description: LIPID Metabolites And Pathways Strategy (LIPID MAPS) is a multi-institutional effort created to identify and quantitate, using a systems biology approach and sophisticated mass spectrometers, all of the major, and many minor, lipid species in mammalian cells, as well as to quantitate the changes in these species in response to perturbation
  name: lipidmaps
  name_label: LipidMaps
  name_long: LipidMaps
  src_compound_id: 
    - LMFA01020030
  src_id: 33
  src_url: http://www.lipidmaps.org
- 
  aux_for_url: 0
  base_id_url: http://www.ebi.ac.uk/metabolights/
  base_id_url_available: 1
  description: A database for Metabolomics experiments and derived information. The database is cross-species, cross-technique and covers metabolite structures and their reference spectra as well as their biological roles, locations and concentrations, and experimental data from metabolic experiments.
  name: metabolights
  name_label: Metabolights
  name_long: Metabolights
  src_compound_id: 
    - MTBLC9592
  src_id: 36
  src_url: http://www.ebi.ac.uk/metabolights/
- 
  aux_for_url: 0
  base_id_url: http://www.brenda-enzymes.org/ligand.php?brenda_ligand_id=
  base_id_url_available: 1
  description: A comprehensive Enzyme Information system containing enzyme functional data extracted directly from the primary literature.
  name: brenda
  name_label: Brenda
  name_long: Brenda
  src_compound_id: 
    - 32470
    - 150082
    - 90304
    - 160453
    - 32516
    - 108130
    - 49576
    - 145177
  src_id: 37
  src_url: http://www.brenda-enzymes.org/index.php
- 
  aux_for_url: 0
  base_id_url: https://www.chemicalbook.com/ChemicalProductProperty_EN_
  base_id_url_available: 1
  description: An online knowledge-base of chemicals and a platform of the Chinese domestic vendors in chemical industry
  name: chemicalbook
  name_label: ChemicalBook
  name_long: ChemicalBook
  src_compound_id: 
    - CB4199986
  src_id: 39
  src_url: https://www.chemicalbook.com