pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.19999980926514	QSARToolbox	0	-1	COC(=O)c1[nH]c(Cc2[nH]c(C(=O)OC)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C	COC(=O)c1[nH]c(Cc2[nH]c(C(=O)OC)c(C)c2CCC(=O)O)c(CCC(=O)[O-])c1C	mol36632	COC(=O)c1[nH]c(Cc2[nH]c(C(=O)OC)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C