pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.85	IUPAC digitized pKa	1	0	c1c[nH+]cc(-c2ccncc2)c1,c1cncc(-c2cc[nH+]cc2)c1	c1cncc(-c2ccncc2)c1	mol3786	c1cncc(-c2ccncc2)c1
4.8499999	OCHEM	1	0	c1c[nH+]cc(-c2ccncc2)c1,c1cncc(-c2cc[nH+]cc2)c1	c1cncc(-c2ccncc2)c1	mol3786	c1cncc(-c2ccncc2)c1
4.84999990463257	QSARToolbox	1	0	c1c[nH+]cc(-c2ccncc2)c1,c1cncc(-c2cc[nH+]cc2)c1	c1cncc(-c2ccncc2)c1	mol3786	c1cncc(-c2ccncc2)c1
3.0	IUPAC digitized pKa	2	1	c1c[nH+]cc(-c2cc[nH+]cc2)c1	c1c[nH+]cc(-c2ccncc2)c1,c1cncc(-c2cc[nH+]cc2)c1	mol3786	c1cncc(-c2ccncc2)c1