pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.46	Datawarrior	0	-1	N#CCC[NH2+][C@H](CC(N)=O)C(=O)[O-]	N#CCCN[C@H](CC(N)=O)C(=O)[O-]	mol13713	N#CCCNC(CC(N)=O)C(=O)O
6.46000003814697	QSARToolbox	0	-1	N#CCC[NH2+][C@H](CC(N)=O)C(=O)[O-]	N#CCCN[C@H](CC(N)=O)C(=O)[O-]	mol13713	N#CCCNC(CC(N)=O)C(=O)O