pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.4	Baltruschat ChEMBL	1	0	CC(C)(O)c1ccn2ccnc2[nH+]1,CC(C)(O)c1ccn2cc[nH+]c2n1	CC(C)(O)c1ccn2ccnc2n1	mol17971	CC(C)(O)c1ccn2ccnc2n1