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Molecule : VI8

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C13H12N2O2/c16-13(17)11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17)
2	InChIKey	InChI	1.06	FDOXNJWMRVHSSC-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=C(O)c1cc(NCc2cccnc2)ccc1
4	SMILES	CACTVS	3.385	OC(=O)c1cccc(NCc2cccnc2)c1
5	SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NCc2cccnc2)C(=O)O
6	Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc(NCc2cccnc2)c1
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NCc2cccnc2)C(=O)O