pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	Datawarrior	1	0	CCC(N=O)=[NH+]O	CCC(N=O)=NO	mol15960	CCC(N=O)=NO
5.8000002	OCHEM	1	0	CCC(N=O)=[NH+]O	CCC(N=O)=NO	mol15960	CCC(N=O)=NO
5.80000019073486	QSARToolbox	1	0	CCC(N=O)=[NH+]O	CCC(N=O)=NO	mol15960	CCC(N=O)=NO
