pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.04	Datawarrior	1	0	CCCn1cc[nH+]c1CO	CCCn1ccnc1CO	mol12999	CCCn1ccnc1CO
7.03999996185303	QSARToolbox	1	0	CCCn1cc[nH+]c1CO	CCCn1ccnc1CO	mol12999	CCCn1ccnc1CO