pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.43	Baltruschat ChEMBL	1	0	[NH+]#CCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	N#CCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	mol17049	N#CCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1