pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.46	Datawarrior	0	-1	CCC(CC)C1(CC)C(=O)NC(=S)NC1=O	CCC(CC)C1(CC)C(=O)[N-]C(=S)NC1=O	mol11648	CCC(CC)C1(CC)C(=O)NC(=S)NC1=O
7.46000003814697	QSARToolbox	0	-1	CCC(CC)C1(CC)C(=O)NC(=S)NC1=O	CCC(CC)C1(CC)C(=O)[N-]C(=S)NC1=O	mol11648	CCC(CC)C1(CC)C(=O)NC(=S)NC1=O
12.36	Datawarrior	-1	-2	CCC(CC)C1(CC)C(=O)[N-]C(=S)NC1=O	CCC(CC)C1(CC)C(=O)[N-]C(=S)[N-]C1=O	mol11648	CCC(CC)C1(CC)C(=O)NC(=S)NC1=O