- All structures of this version of database (release 2.0) is based on the COMPOUND
database, a part of the LIGAND databaseL1 in GenomeNet,
including 2D structure files written by MDL mol (SD) formatL2
- From all of the 2D structures files of COMPOUND database, the entries with the
description of "R", "n" and "X" in the formula column were removed because the
structures are not able to be identified.
- The natural compounds were chosen if applied to one of the following conditions.
- The entries having some harogens (F, Cl, Br) were deleted from the chosen entry set.