pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	1	0	c1cncc(-c2ccc(-c3noc([C@@H]4C[NH+]5CCC4CC5)n3)o2)c1	c1cncc(-c2ccc(-c3noc([C@@H]4CN5CCC4CC5)n3)o2)c1	mol21421	c1cncc(-c2ccc(-c3noc(C4CN5CCC4CC5)n3)o2)c1