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Molecule : CGB

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1
2	InChIKey	InChI	1.03	FXFBVZOJVHCEDO-IBISWUOJSA-N
3	SMILES	ACDLabs	10.04	OC12NC(CC1)C(O)C(O)C2O
4	SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O)[C]2(O)CC[CH]1N2
5	SMILES	OpenEye OEToolkits	1.5.0	C1CC2(C(C(C(C1N2)O)O)O)O
6	Canonical SMILES	CACTVS	3.341	O[C@@H]1[C@@H](O)[C@H](O)[C@]2(O)CC[C@H]1N2
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O