pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.47	IUPAC digitized pKa	0	-1	CC[NH+](CC)CC(=O)[O-]	CCN(CC)CC(=O)[O-]	mol5369	CCN(CC)CC(=O)O
10.51	IUPAC digitized pKa	0	-1	CC[NH+](CC)CC(=O)[O-]	CCN(CC)CC(=O)[O-]	mol5369	CCN(CC)CC(=O)O
10.5	Datawarrior	0	-1	CC[NH+](CC)CC(=O)[O-]	CCN(CC)CC(=O)[O-]	mol5369	CCN(CC)CC(=O)O
10.4700002670288	QSARToolbox	0	-1	CC[NH+](CC)CC(=O)[O-]	CCN(CC)CC(=O)[O-]	mol5369	CCN(CC)CC(=O)O
2.04	IUPAC digitized pKa	1	0	CC[NH+](CC)CC(=O)O	CC[NH+](CC)CC(=O)[O-]	mol5369	CCN(CC)CC(=O)O
1.97	IUPAC digitized pKa	1	0	CC[NH+](CC)CC(=O)O	CC[NH+](CC)CC(=O)[O-]	mol5369	CCN(CC)CC(=O)O
1.98	Datawarrior	1	0	CC[NH+](CC)CC(=O)O	CC[NH+](CC)CC(=O)[O-]	mol5369	CCN(CC)CC(=O)O
2.03999996185303	QSARToolbox	1	0	CC[NH+](CC)CC(=O)O	CC[NH+](CC)CC(=O)[O-]	mol5369	CCN(CC)CC(=O)O