pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.67999982833862	QSARToolbox	0	-1	COC(=O)c1[nH]c(C)c(CCC(=O)O)c1C	COC(=O)c1[nH]c(C)c(CCC(=O)[O-])c1C	mol25540	COC(=O)c1[nH]c(C)c(CCC(=O)O)c1C
4.69999980926514	QSARToolbox	0	-1	COC(=O)c1[nH]c(C)c(CCC(=O)O)c1C	COC(=O)c1[nH]c(C)c(CCC(=O)[O-])c1C	mol25540	COC(=O)c1[nH]c(C)c(CCC(=O)O)c1C
4.69	AttenGpKa training set	0	-1	COC(=O)c1[nH]c(C)c(CCC(=O)O)c1C	COC(=O)c1[nH]c(C)c(CCC(=O)[O-])c1C	mol25540	COC(=O)c1[nH]c(C)c(CCC(=O)O)c1C