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Molecule : JSI

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C14H11BrN3O4PS/c15-9-1-2-10(8(5-9)3-4-23(20,21)22)24-11-6-16-13-12(11)17-7-18-14(13)19/h1-7,16H,(H,17,18,19)(H2,20,21,22)/b4-3+
2	InChIKey	InChI	1.06	MGDUXLLRMUSBMA-ONEGZZNKSA-N
3	SMILES	CACTVS	3.385	O[P](O)(=O)C=Cc1cc(Br)ccc1Sc2c[nH]c3C(=O)NC=Nc23
4	SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Br)C=CP(=O)(O)O)Sc2c[nH]c3c2N=CNC3=O
5	Canonical SMILES	CACTVS	3.385	O[P](O)(=O)\C=C\c1cc(Br)ccc1Sc2c[nH]c3C(=O)NC=Nc23
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Br)/C=C/P(=O)(O)O)Sc2c[nH]c3c2N=CNC3=O