pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.88	Datawarrior	1	0	Cc1[nH]c(CO)[nH+]c1C	Cc1nc(CO)[nH]c1C	mol13619	Cc1nc(CO)[nH]c1C
7.8800001	OCHEM	1	0	Cc1[nH]c(CO)[nH+]c1C	Cc1nc(CO)[nH]c1C	mol13619	Cc1nc(CO)[nH]c1C