pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.19	Datawarrior	0	-1	CCC[NH2+][C@H](C)C(=O)[O-]	CCCN[C@H](C)C(=O)[O-]	mol13510	CCCNC(C)C(=O)O
10.2	OCHEM	0	-1	CCC[NH2+][C@H](C)C(=O)[O-]	CCCN[C@H](C)C(=O)[O-]	mol13510	CCCNC(C)C(=O)O
2.21	Datawarrior	1	0	CCC[NH2+][C@H](C)C(=O)O	CCC[NH2+][C@H](C)C(=O)[O-]	mol13510	CCCNC(C)C(=O)O
2.21000003814697	QSARToolbox	1	0	CCC[NH2+][C@H](C)C(=O)O	CCC[NH2+][C@H](C)C(=O)[O-]	mol13510	CCCNC(C)C(=O)O
1.19000005722046	QSARToolbox	1	0	CCC[NH2+][C@H](C)C(=O)O	CCC[NH2+][C@H](C)C(=O)[O-]	mol13510	CCCNC(C)C(=O)O