pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.18	Datawarrior	1	0	COC(=O)C(C)(C)c1c[nH]c(CO)[nH+]1	COC(=O)C(C)(C)c1c[nH]c(CO)n1	mol13242	COC(=O)C(C)(C)c1c[nH]c(CO)n1
6.1799998	OCHEM	1	0	COC(=O)C(C)(C)c1c[nH]c(CO)[nH+]1	COC(=O)C(C)(C)c1c[nH]c(CO)n1	mol13242	COC(=O)C(C)(C)c1c[nH]c(CO)n1
6.17999982833862	QSARToolbox	1	0	COC(=O)C(C)(C)c1c[nH]c(CO)[nH+]1	COC(=O)C(C)(C)c1c[nH]c(CO)n1	mol13242	COC(=O)C(C)(C)c1c[nH]c(CO)n1