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Molecule : M3B

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C8H22N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h8,11-12H,2-7,9-10H2,1H3/t8-/m0/s1
2	InChIKey	InChI	1.03	HBYRDDGQNQMGCZ-QMMMGPOBSA-N
3	SMILES	CACTVS	3.385	COCCN[CH](N)NCCCCN
4	SMILES	OpenEye OEToolkits	2.0.7	COCCNC(N)NCCCCN
5	Canonical SMILES	CACTVS	3.385	COCCN[C@@H](N)NCCCCN
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	COCCN[C@@H](N)NCCCCN