pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.146	IUPAC digitized pKa	0	-1	C[NH+](CC(=O)[O-])CC(=O)O	C[NH+](CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
2.12	IUPAC digitized pKa	0	-1	C[NH+](CC(=O)[O-])CC(=O)O	C[NH+](CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
2.138	IUPAC digitized pKa	0	-1	C[NH+](CC(=O)[O-])CC(=O)O	C[NH+](CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
2.142	IUPAC digitized pKa	0	-1	C[NH+](CC(=O)[O-])CC(=O)O	C[NH+](CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
2.15	IUPAC digitized pKa	0	-1	C[NH+](CC(=O)[O-])CC(=O)O	C[NH+](CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
2.154	IUPAC digitized pKa	0	-1	C[NH+](CC(=O)[O-])CC(=O)O	C[NH+](CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
2.15000009536743	QSARToolbox	0	-1	C[NH+](CC(=O)[O-])CC(=O)O	C[NH+](CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
2.81	AttenGpKa training set	0	-1	C[NH+](CC(=O)[O-])CC(=O)O	C[NH+](CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
10.088	IUPAC digitized pKa	-1	-2	C[NH+](CC(=O)[O-])CC(=O)[O-]	CN(CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
9.65	IUPAC digitized pKa	-1	-2	C[NH+](CC(=O)[O-])CC(=O)[O-]	CN(CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
9.57	IUPAC digitized pKa	-1	-2	C[NH+](CC(=O)[O-])CC(=O)[O-]	CN(CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
10.474	IUPAC digitized pKa	-1	-2	C[NH+](CC(=O)[O-])CC(=O)[O-]	CN(CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
10.287	IUPAC digitized pKa	-1	-2	C[NH+](CC(=O)[O-])CC(=O)[O-]	CN(CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
9.92	IUPAC digitized pKa	-1	-2	C[NH+](CC(=O)[O-])CC(=O)[O-]	CN(CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
9.763	IUPAC digitized pKa	-1	-2	C[NH+](CC(=O)[O-])CC(=O)[O-]	CN(CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
9.76000022888184	QSARToolbox	-1	-2	C[NH+](CC(=O)[O-])CC(=O)[O-]	CN(CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O
10.18	AttenGpKa training set	-1	-2	C[NH+](CC(=O)[O-])CC(=O)[O-]	CN(CC(=O)[O-])CC(=O)[O-]	mol9432	CN(CC(=O)O)CC(=O)O