pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.58	Datawarrior	1	0	NC(=O)CCc1cc[nH+]cc1	NC(=O)CCc1ccncc1	mol14169	NC(=O)CCc1ccncc1
5.5799999	OCHEM	1	0	NC(=O)CCc1cc[nH+]cc1	NC(=O)CCc1ccncc1	mol14169	NC(=O)CCc1ccncc1
5.57999992370606	QSARToolbox	1	0	NC(=O)CCc1cc[nH+]cc1	NC(=O)CCc1ccncc1	mol14169	NC(=O)CCc1ccncc1