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Molecule : GJ0

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)/t13-/m0/s1
2	InChIKey	InChI	1.03	BNYDDAAZMBUFRG-ZDUSSCGKSA-N
3	SMILES	CACTVS	3.385	N[CH](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O
4	SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1NC(=O)CC(C(=O)O)N)Oc2cc(c(cc2Br)F)F
5	Canonical SMILES	CACTVS	3.385	N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1NC(=O)C[C@@H](C(=O)O)N)Oc2cc(c(cc2Br)F)F