pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.69	Baltruschat ChEMBL	1	0	CC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CC[NH2+]CC4)no2)cc1C#N	CC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1C#N	mol20690	CC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1C#N