pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.81	Datawarrior	0	-1	O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)cc1	O=[N+]([O-])c1ccc(C(=S)[N-]c2ccccc2)cc1	mol14929	O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)cc1
9.8100004	OCHEM	0	-1	O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)cc1	O=[N+]([O-])c1ccc(C(=S)[N-]c2ccccc2)cc1	mol14929	O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)cc1
9.8100004196167	QSARToolbox	0	-1	O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)cc1	O=[N+]([O-])c1ccc(C(=S)[N-]c2ccccc2)cc1	mol14929	O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)cc1