pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.88	Datawarrior	0	-1	c1cc2[nH]cnc2cn1	c1cc2[n-]cnc2cn1	mol4686	c1cc2[nH]cnc2cn1
6.1	Datawarrior	1	0	c1cc2[nH]c[nH+]c2cn1,c1nc2c[nH+]ccc2[nH]1	c1cc2[nH]cnc2cn1	mol4686	c1cc2[nH]cnc2cn1
6.0999999	OCHEM	1	0	c1cc2[nH]c[nH+]c2cn1,c1nc2c[nH+]ccc2[nH]1	c1cc2[nH]cnc2cn1	mol4686	c1cc2[nH]cnc2cn1