pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	Baltruschat ChEMBL	0	-1	c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5nnn[nH]5)cc4)c3c2)cc1	c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5nnn[n-]5)cc4)c3c2)cc1	mol16271	c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5nnn[nH]5)cc4)c3c2)cc1