pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.65	Datawarrior	0	-1	CC(=O)CC(=S)Nc1ccc(C)cc1	CC(=O)[CH-]C(=S)Nc1ccc(C)cc1,CC(=O)CC(=S)[N-]c1ccc(C)cc1	mol13287	CC(=O)CC(=S)Nc1ccc(C)cc1
7.6500001	OCHEM	0	-1	CC(=O)CC(=S)Nc1ccc(C)cc1	CC(=O)[CH-]C(=S)Nc1ccc(C)cc1,CC(=O)CC(=S)[N-]c1ccc(C)cc1	mol13287	CC(=O)CC(=S)Nc1ccc(C)cc1
8.72999954223633	QSARToolbox	0	-1	CC(=O)CC(=S)Nc1ccc(C)cc1	CC(=O)[CH-]C(=S)Nc1ccc(C)cc1,CC(=O)CC(=S)[N-]c1ccc(C)cc1	mol13287	CC(=O)CC(=S)Nc1ccc(C)cc1