pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	Baltruschat ChEMBL	1	0	Cn1cc(-c2noc(C3=CCC[NH+](C)C3)n2)c2ccccc21	CN1CCC=C(c2nc(-c3cn(C)c4ccccc34)no2)C1	mol16653	CN1CCC=C(c2nc(-c3cn(C)c4ccccc34)no2)C1