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Molecule : XPN

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)
2	InChIKey	InChI	1.06	WTPBXXCVZZZXKR-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
4	SMILES	OpenEye OEToolkits	2.0.7	CNCCc1c[nH]c2c1c(ccc2)OP(=O)(O)O
5	Canonical SMILES	CACTVS	3.385	CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CNCCc1c[nH]c2c1c(ccc2)OP(=O)(O)O