pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.65999984741211	QSARToolbox	0	-1	CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CCC(=O)O)c1C	CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CCC(=O)[O-])c1C	mol29811	CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CCC(=O)O)c1C
4.57	AttenGpKa training set	0	-1	CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CCC(=O)O)c1C	CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CCC(=O)[O-])c1C	mol29811	CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CCC(=O)O)c1C