pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.65	Datawarrior	0	-1	CC[C@@]1(c2ccccc2)C(=O)NC(=S)N(C)C1=O	CC[C@@]1(c2ccccc2)C(=O)[N-]C(=S)N(C)C1=O	mol14925	CCC1(c2ccccc2)C(=O)NC(=S)N(C)C1=O
7.6500001	OCHEM	0	-1	CC[C@@]1(c2ccccc2)C(=O)NC(=S)N(C)C1=O	CC[C@@]1(c2ccccc2)C(=O)[N-]C(=S)N(C)C1=O	mol14925	CCC1(c2ccccc2)C(=O)NC(=S)N(C)C1=O
7.65000009536743	QSARToolbox	0	-1	CC[C@@]1(c2ccccc2)C(=O)NC(=S)N(C)C1=O	CC[C@@]1(c2ccccc2)C(=O)[N-]C(=S)N(C)C1=O	mol14925	CCC1(c2ccccc2)C(=O)NC(=S)N(C)C1=O