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Molecule : NWQ

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
2	InChIKey	InChI	1.03	PLYRYAHDNXANEG-QMWPFBOUSA-N
3	SMILES	CACTVS	3.385	CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
4	SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O
5	Canonical SMILES	CACTVS	3.385	CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O