pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.23	IUPAC digitized pKa	0	-1	CC[NH2+]CC(=O)[O-]	CCNCC(=O)[O-]	mol5373	CCNCC(=O)O
10.1	IUPAC digitized pKa	0	-1	CC[NH2+]CC(=O)[O-]	CCNCC(=O)[O-]	mol5373	CCNCC(=O)O
10.16	Datawarrior	0	-1	CC[NH2+]CC(=O)[O-]	CCNCC(=O)[O-]	mol5373	CCNCC(=O)O
10.2299995422363	QSARToolbox	0	-1	CC[NH2+]CC(=O)[O-]	CCNCC(=O)[O-]	mol5373	CCNCC(=O)O
2.34	IUPAC digitized pKa	1	0	CC[NH2+]CC(=O)O	CC[NH2+]CC(=O)[O-]	mol5373	CCNCC(=O)O
2.3	IUPAC digitized pKa	1	0	CC[NH2+]CC(=O)O	CC[NH2+]CC(=O)[O-]	mol5373	CCNCC(=O)O
2.31	Datawarrior	1	0	CC[NH2+]CC(=O)O	CC[NH2+]CC(=O)[O-]	mol5373	CCNCC(=O)O
2.3099999	OCHEM	1	0	CC[NH2+]CC(=O)O	CC[NH2+]CC(=O)[O-]	mol5373	CCNCC(=O)O
2.33999991416931	QSARToolbox	1	0	CC[NH2+]CC(=O)O	CC[NH2+]CC(=O)[O-]	mol5373	CCNCC(=O)O
1.23000001907349	QSARToolbox	1	0	CC[NH2+]CC(=O)O	CC[NH2+]CC(=O)[O-]	mol5373	CCNCC(=O)O