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Molecule : ASE

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
2	InChIKey	InChI	1.03	MVAWJSIDNICKHF-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	O=C(NCCc2c1cc(O)ccc1nc2)C
4	SMILES	CACTVS	3.341	CC(=O)NCCc1c[nH]c2ccc(O)cc12
5	SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCc1c[nH]c2c1cc(cc2)O
6	Canonical SMILES	CACTVS	3.341	CC(=O)NCCc1c[nH]c2ccc(O)cc12
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCc1c[nH]c2c1cc(cc2)O