Please choose this field if you want to submit your own SMILES strings or
create a SMILES string using the Structure Editor. A submitted file has precedence,
so delete any entry below if you want to submit a new SMILES string.
Display on screen
SMILES TXT file
MOL (only single structure
SMILES representation (choose "Aromatic" for closer approximation to Daylight USMILES)
SD, PDB or MOL files should contain
Please choose this field if you want to translate your
own files. The service will automatically recognize SD files (single and
multiple structure), text files with multiple SMILES fields, MOL files
and PDB files (and in fact any other format CACTVS recognizes).
If the input file contains a single structure, the output
will also be single structure. Multiple structure input formats will
generate multiple structure output for those formats that support this.
Otherwise, only the first structure will be used. SD files will contain a
UNIQUE_SMILES field for unique SMILES and an USER_SUPPLIED_SMILES field for the user-supplied
SMILES (if avaliable)