Smiles conversion and import problems

In importing a few NCI structures into a JChem database, I get the following error. How can I take care of this so that I can get all the structures imported?








Error in molecule 814


java.lang.IllegalArgumentException:


Some features of Cl.[Cl-].[$([#1,*])].c1ccncc1.[#6]-n2cc3cc(-[#8])c(-[#8])cc3c4c


cc5cc(-[#8])c(-[#8])cc5c24 cannot be converted to smiles/cxsmiles. Use the smart


s or cxsmarts format.


at chemaxon.struc.Molecule.toObject(Molecule.java:1040)


at chemaxon.struc.Molecule.toFormat(Molecule.java:902)


at chemaxon.util.MolHandler.toFormat(MolHandler.java:427)


at chemaxon.jchem.db.UpdateHandler.getSmiles(UpdateHandler.java:707)


at chemaxon.jchem.db.UpdateHandler.setFields(UpdateHandler.java:813)


at chemaxon.jchem.db.UpdateHandler.setFields(UpdateHandler.java:1027)


at chemaxon.jchem.db.UpdateHandler.init(UpdateHandler.java:771)


at chemaxon.jchem.db.UpdateHandler.execute(UpdateHandler.java:1356)


at chemaxon.jchem.db.FileToSQLHandler.importFile(FileToSQLHandler.java:2


63)


at chemaxon.jchem.gui.Importer.run(Importer.java:136)


at java.lang.Thread.run(Unknown Source)

Hi,





It seems you are using an outdated version of JChem.


(older than March 2005)





Please update to the latest version to fix this problem.





Best regards,





Szilard