KULeuven.tgz: contains a different data file for each molecule, all 
in prolog format).

A brief summary of what has been done (see the uploaded info.txt for more
info):
- from the .mol files that were available, new prolog files were constructed
  indicating, e.g., 3D coordinates of atoms.
- functional groups were computed for all molecules (alcohols, fenols, ethers, ...)
- a table was constructed, indicating for each molecule how many instances of
  each functional group occur
- distances between functional groups were computed (roughly), at this moment
  only the sum of all such distances is stored in a relation.  The sum
  might be used as an indication of how large the molecule is.
- all distances between charged atoms were computed
- all circular structures were computed
- benzene rings were computed, as well as descriptors indicating that
  there are at least 2 benzene rings, one (or both) of which are connected to
  a (possibly different) nitrogen atom.
- molecular weights of the molecules were added, as well as atom counts