Classes

Class

Description

Public class

Chemical File Format class

Public class

MDL File format Reader and Writer.

MDL tag	Compatibility
M CHG (charge)	True
M ISO (isotope)	True
M RAD (radical)	True
M RGP (Rgroup Label)	True
M ALS (Rgroup Label)	True
M STY (Sgroup Type)	True
M SST (Sgroup SubType)	True
M SLB (Sgroup Label)	True
M SNC (Sgroup Component Numbers)	True
M SCN (Sgroup Connectivity)	True
M SAL (Sgroup Atom list)	True
M SBL (Sgroup Bond list)	True
M SDI (Sgroup Display Info)	True
M SMT (Sgroup SubScript)	True
M SBV	True

Public class

MDL File format Reader and Writer. Not managed SGroup tags: - PATOMS (deprecated) - ESTATE (deprecated) - CBONDS - XBHEAD - XBCORR - SAP

Public class

Class to parse MDL SDF file

Public class

SDFile column definition

Public class

Column data defined as a list of Column Key / String collection Values

Public class

SDFile index class : Contains mapping summary of a given sd file

Public class

SDFile record element

Public class

Sample data defined as a list of Key / Value string

Public class

SDFSampleDataCollection

Sample data defined as a list of Key / Value string

Enumerations

	Enumeration	Description
	ChemistryFormat	Chemical structure Format class
	MdlCtFormat	MDL CT Format