pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.03	Datawarrior	1	0	CCCCOC(=O)c1ccc[n+](O)c1	CCCCOC(=O)c1ccc[n+]([O-])c1	mol13308	CCCCOC(=O)c1ccc[n+](O)c1
0.029999999	OCHEM	1	0	CCCCOC(=O)c1ccc[n+](O)c1	CCCCOC(=O)c1ccc[n+]([O-])c1	mol13308	CCCCOC(=O)c1ccc[n+](O)c1