pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.91	Baltruschat ChEMBL	0	-1	CC(C)(C)c1noc(/C=N/O)n1	CC(C)(C)c1noc(/C=N/[O-])n1	mol20100	CC(C)(C)c1noc(/C=N/O)n1
