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Molecule : S3Y

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C9H12ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-4,8,11-12,14H,5-6H2
2	InChIKey	InChI	1.03	JIARGTWLSPJECI-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	C(O)C1NNN(C1)c2ccc(cc2)Cl
4	SMILES	CACTVS	3.385	OC[CH]1CN(NN1)c2ccc(Cl)cc2
5	SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1N2CC(NN2)CO)Cl
6	Canonical SMILES	CACTVS	3.385	OC[C@H]1CN(NN1)c2ccc(Cl)cc2
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1N2C[C@@H](NN2)CO)Cl