--- 
- 
  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: 
    - CHEMBL1535
  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: 
    - DB01611
  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: IUPHAR Guide to Pharmacology is a resource for representing the interests of pharmacologists around the world. DB contains structures of small molecule ligands of pharmacological significance. IUPHAR (International Union of Basic and Clinical Pharmacology)/BPS(British Pharmacological Society)
  name: iuphar
  name_label: Guide to Pharmacology
  name_long: Guide to Pharmacology
  src_compound_id: 
    - 7198
  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: 
    - C07043
  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: 
    - 5801
  src_id: 7
  src_url: http://www.ebi.ac.uk/chebi/downloadsForward.do
- 
  aux_for_url: 0
  base_id_url: http://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: 
    - 901965
  src_id: 10
  src_url: http://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: 
    - 4B4D95C1EEEB46C7328034CC06C58CC3
  src_id: 11
  src_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/
- 
  aux_for_url: 0
  base_id_url: http://worldwide.espacenet.com/searchResults?DB=EPODOC&locale=en_EP&ST=advanced&compact=false&PN=
  base_id_url_available: 1
  description: "The data are provided by IBM-NIH and include exact compounds extracted by means of text and image mining from the patent corpus (USPTO, WIPO and EPO) for patent documents published through 31-12-2010. Further filters included removal of: 1. All molecules mapping to > 10,000 patents, 2. Non-organic molecules, 3. Very small molecules (MW < 90, number of atoms < 7). In addition, for structures mapping to > 100 patents, only 100 randomly selected patent identifiers were included. Identifiers in UniChem are patent number identifiers."
  name: ibm_patents
  name_label: IBM Patents
  name_long: IBM strategic IP insight platform and the National Institutes of Health, Patents
  src_compound_id: 
    - US6902910
    - US20090291895
    - US20020160978
    - WO2004069870A2
    - EP1994003A1
    - US20100323037
    - EP0948495B1
    - WO2004099146A1
    - EP1968610A2
    - US7582644
    - US20030148971
    - WO2009118175A1
    - US5681593
    - US20100113416
    - EP1009440B1
    - US6790444
    - WO2010048573A1
    - EP0364559A1
    - US7060708
    - WO1997015299A1
    - WO2008137835A2
    - EP2117503A1
    - US20040102512
    - EP2200613A2
    - WO2004076675A2
    - US7544371
    - WO2009149214A2
    - EP1648299A1
    - US20050026811
    - WO2008039489A2
    - EP2184984A1
    - US20100331359
    - EP1883624A1
    - US20050107339
    - US7312241
    - EP1694341A1
    - EP1261586A2
    - WO2008039409A2
    - US20090186021
    - EP2237770A2
    - US20060193914
    - EP2170879A1
    - US20050181050
    - WO2004019953A1
    - US7022730
    - EP1308158A8
    - US20100266583
    - US20100217172
    - US6258816
    - US6734192
    - US7731704
    - WO2006064228A2
    - EP2077859A2
    - EP2086602A2
    - WO2009114512A1
    - US6924274
    - WO2010011315A2
    - WO2004014379A1
    - WO2010053800A2
    - US7407978
    - WO2008036688A2
    - WO2006004925A1
    - US20080287406
    - WO2001055349A1
    - US6451812
    - WO2010065650A2
    - WO2010017264A2
    - US20100266680
    - US20070259824
    - EP1231948A1
    - US20070219200
    - US20100135987
    - WO2010103017A2
    - WO2006001815A1
    - WO2006110593A2
    - EP2041135A1
    - US6028060
    - US20040242500
    - WO2007092338A2
    - WO2004104005A2
    - WO2003098211A1
    - US20040048338
    - WO2010104961A1
    - EP1175216A2
    - US7855223
    - US20020009454
    - US4560687
    - EP2200631A1
    - US20030007991
    - US20080038316
    - US20090238762
    - EP2231197A2
    - EP2121642A1
    - US20030119786
    - EP1229793A1
    - US20100280001
    - US7744885
    - US20020022720
    - US20090111745
    - US20070167365
  src_id: 13
  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: 
    - SCHEMBL8170
  src_id: 15
  src_url: https://www.surechembl.org
- 
  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: 
    - HMDB15549
  src_id: 18
  src_url: http://www.hmdb.ca
- 
  aux_for_url: 0
  base_id_url: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=
  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: 
    - 14777730
  src_id: 21
  src_url: http://www.thomson-pharma.com/
- 
  aux_for_url: 0
  base_id_url: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=
  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: 
    - 3652
  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-6282304706
  src_id: 23
  src_url: https://mcule.com
- 
  aux_for_url: 0
  base_id_url: http://life.ccs.miami.edu/life/summary?mode=SmallMolecule&source=LINCS&input=
  base_id_url_available: 1
  description: The LINCS DCIC facilitates and standardized the information relevant to LINCS assays as described in http://www.lincsproject.org/data/data-standards/
  name: lincs
  name_label: LINCS
  name_long: Library of Integrated Network-based Cellular Signatures
  src_compound_id: 
    - LSM-5193
  src_id: 25
  src_url: http://www.lincsproject.org/
- 
  aux_for_url: 0
  base_id_url: http://actor.epa.gov/actor/GenericChemical?casrn=
  base_id_url_available: 1
  description: ACToR (Aggregated Computational Toxicology Resource)
  name: actor
  name_label: ACToR
  name_long: ACToR
  src_compound_id: 
    - 118-42-3
  src_id: 26
  src_url: http://actor.epa.gov/actor/faces/ACToRHome.jsp
- 
  aux_for_url: 0
  base_id_url: http://nikkajiweb.jst.go.jp/nikkaji_web/pages/top_e.jsp?CONTENT=syosai&SN=
  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: 
    - J5.298A
  src_id: 29
  src_url: " http://nikkajiweb.jst.go.jp/nikkaji_web/pages/top_e.jsp"