--- 
- 
  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: 
    - CHEMBL15768
  src_id: 1
  src_url: https://www.ebi.ac.uk/chembl/
- 
  aux_for_url: 0
  base_id_url: http://www.drugbank.ca/drugs/
  base_id_url_available: 1
  description: A database that combines drug (i.e. chemical, pharmacological and pharmaceutical) data with drug target (i.e. sequence, structure, and pathway) information.
  name: drugbank
  name_label: DrugBank
  name_long: DrugBank
  src_compound_id: 
    - DB14156
  src_id: 2
  src_url: http://drugbank.ca/
- 
  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: 
    - 2422
  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: 
    - C18369
    - C00809
  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: 
    - 36773
  src_id: 7
  src_url: http://www.ebi.ac.uk/chebi/downloadsForward.do
- 
  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: 
    - 711328
    - 925036
  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: 
    - 7B2AF9250D4D332B8501EBBA5C2AE713
  src_id: 11
  src_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/
- 
  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: 
    - SCHEMBL16068
  src_id: 15
  src_url: https://www.surechembl.org/search/
- 
  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: 
    - 15146886
  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: 
    - 2537
  src_id: 22
  src_url: http://pubchem.ncbi.nlm.nih.gov
- 
  aux_for_url: 0
  base_id_url: https://mcule.com/
  base_id_url_available: 1
  description: An online drug discovery platform with virtual screening and molecular modelling services.
  name: mcule
  name_label: Mcule
  name_long: Mcule
  src_compound_id: 
    - MCULE-2476865084
  src_id: 23
  src_url: https://mcule.com
- 
  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: 
    - 20253146
  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: 
    - 464-49-3
    - 464-48-2
    - 21368-68-3
    - 76-22-2
  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-002-506-944
  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: 
    - J4.364H
  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: 
    - DTXSID5030955
  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: 
    - LMPR0102120001
  src_id: 33
  src_url: http://www.lipidmaps.org
- 
  aux_for_url: 0
  base_id_url: http://drugcentral.org/drugcard/
  base_id_url_available: 1
  description: DrugCentral is an online drug information resource created and maintained by Division of Translational Informatics at University of New Mexico, providing information on active ingredients chemical entities, pharmaceutical products, drug mode of action, indications, pharmacologic action
  name: drugcentral
  name_label: DrugCentral
  name_long: DrugCentral
  src_compound_id: 
    - 470
  src_id: 34
  src_url: http://drugcentral.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: 
    - MTBLC36773
  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: 
    - 10609
  src_id: 37
  src_url: http://www.brenda-enzymes.org/index.php