pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	IUPAC digitized pKa	1	0	Cc1nc(C)c(C)[nH+]c1C	Cc1nc(C)c(C)nc1C	mol3999	Cc1nc(C)c(C)nc1C
3.6	IUPAC digitized pKa	1	0	Cc1nc(C)c(C)[nH+]c1C	Cc1nc(C)c(C)nc1C	mol3999	Cc1nc(C)c(C)nc1C
3.3599999	OCHEM	1	0	Cc1nc(C)c(C)[nH+]c1C	Cc1nc(C)c(C)nc1C	mol3999	Cc1nc(C)c(C)nc1C
3.575	OCHEM	1	0	Cc1nc(C)c(C)[nH+]c1C	Cc1nc(C)c(C)nc1C	mol3999	Cc1nc(C)c(C)nc1C