pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.78	Datawarrior	0	-1	CC(C)S[C@H](C)C(=O)O	CC(C)S[C@H](C)C(=O)[O-]	mol13479	CC(C)SC(C)C(=O)O
3.77999997138977	QSARToolbox	0	-1	CC(C)S[C@H](C)C(=O)O	CC(C)S[C@H](C)C(=O)[O-]	mol13479	CC(C)SC(C)C(=O)O