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Molecule : PCX

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1
2	InChIKey	InChI	1.03	UYADDEKIZFRINK-LURJTMIESA-N
3	SMILES	ACDLabs	10.04	O=C(O)C(N1C(=O)CC1)CCCNC(=[N@H])N
4	SMILES	CACTVS	3.341	NC(=N)NCCC[CH](N1CCC1=O)C(O)=O
5	SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(N)NCCCC(C(=O)O)N1CCC1=O
6	Canonical SMILES	CACTVS	3.341	NC(=N)NCCC[C@H](N1CCC1=O)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O