COMPOUND_RECORD.tsv

COMPOUND_RECORD files provide links between a record ID and a compound ID. If a CIDX-RIDX combination does not yet exist in the COMPOUND_RECORDS table for this src_id, then one will be created. If one already exists, then this existing one will be updated with the COMPOUND_NAME, etc, present in the incoming file. The CIDX is then referenced in ACTIVITY files, to identify which compounds were used.

Please ensure that the compounds listed in this file exactly match the structures in the COMPOUND_CTAB.sdf file; this includes any salts, hydrates etc. ChEMBL has a compound hierarchy which connects parent compounds to salts, but it is imperative that the compounds in COMPOUND_RECORD.tsv and COMPOUND_CTAB.sdf files exactly match the compounds used experimentally.

You must provide at least one of COMPOUND_NAME, COMPOUND_KEY or COMPOUND_SOURCE in order to make the compound searchable.

Header	Description	Existence	Data Type
CIDX	The CIDX set by the depositor - a primary key	Mandatory	Any character up to a length of 200. Should be a meaningful unique identifier for each Compound, not just a number.
RIDX	The RIDX cited by the depositor. MUST be owned by the same depositor	Mandatory	Any character up to a length of 200
COMPOUND_KEY	The local synonym used for this compound in the RIDX referenced	Mandatory	Any character up to a length of 250
COMPOUND_NAME	The name used for this compound in the RIDX referenced	Mandatory	Any character up to a length of 4000
COMPOUND_SOURCE	The source of this compound in the RIDX referenced	Optional	Any character up to a length of 400