pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.42	Datawarrior	0	-1	CCC1(CC)SC(=O)NC1=O	CCC1(CC)SC(=O)[N-]C1=O	mol14231	CCC1(CC)SC(=O)NC1=O
6.4200001	OCHEM	0	-1	CCC1(CC)SC(=O)NC1=O	CCC1(CC)SC(=O)[N-]C1=O	mol14231	CCC1(CC)SC(=O)NC1=O
6.42000007629395	QSARToolbox	0	-1	CCC1(CC)SC(=O)NC1=O	CCC1(CC)SC(=O)[N-]C1=O	mol14231	CCC1(CC)SC(=O)NC1=O