pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.21	Datawarrior	1	0	NC(=O)CCc1ccc[nH+]c1	NC(=O)CCc1cccnc1	mol14166	NC(=O)CCc1cccnc1
5.21000003814697	QSARToolbox	1	0	NC(=O)CCc1ccc[nH+]c1	NC(=O)CCc1cccnc1	mol14166	NC(=O)CCc1cccnc1