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Molecule : BET

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
2	InChIKey	InChI	1.03	KWIUHFFTVRNATP-UHFFFAOYSA-O
3	SMILES	ACDLabs	10.04	O=C(O)C[N+](C)(C)C
4	SMILES	CACTVS	3.341	C[N+](C)(C)CC(O)=O
5	SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CC(=O)O
6	Canonical SMILES	CACTVS	3.341	C[N+](C)(C)CC(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CC(=O)O