pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.5	Datawarrior	0	-1	Cc1ccc2[nH]c(CO)nc2c1	Cc1ccc2[n-]c(CO)nc2c1	mol12788	Cc1ccc2[nH]c(CO)nc2c1
5.64	Datawarrior	1	0	Cc1ccc2[nH]c(CO)[nH+]c2c1	Cc1ccc2[nH]c(CO)nc2c1	mol12788	Cc1ccc2[nH]c(CO)nc2c1
5.6399999	OCHEM	1	0	Cc1ccc2[nH]c(CO)[nH+]c2c1	Cc1ccc2[nH]c(CO)nc2c1	mol12788	Cc1ccc2[nH]c(CO)nc2c1