Datafile functionalGroups.smarts added since it is needed by DBExporter and was not ported from CADDSuite to BALL until now
Datafile functionalGroups.smarts added since it is needed by DBExporter and was not ported from CADDSuite to BALL until now

tkemmer/ball,tkemmer/ball,tkemmer/ball,tkemmer/ball,tkemmer/ball,tkemmer/ball