使用SmiFlavor类来指定要输出的格式
Different flavours of SMILES can be generated and are fully configurable. The standard flavours of SMILES defined by Daylight are:
Generic - non-canonical SMILES string, different atom ordering produces different SMILES. No isotope or stereochemistry encoded.
Unique - canonical SMILES string, different atom ordering produces the same* SMILES. No isotope or stereochemistry encoded.
Isomeric - non-canonical SMILES string, different atom ordering produces different SMILES. Isotope and stereochemistry is encoded.
Absolute - canonical SMILES string, different atom ordering produces the same SMILES. Isotope and stereochemistry is encoded.
public class<
