pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.36	IUPAC digitized pKa	1	0	Cc1n[nH+]c(C)c(C)c1C	Cc1nnc(C)c(C)c1C	mol4049	Cc1nnc(C)c(C)c1C
5.3600001	OCHEM	1	0	Cc1n[nH+]c(C)c(C)c1C	Cc1nnc(C)c(C)c1C	mol4049	Cc1nnc(C)c(C)c1C
5.06	OCHEM	1	0	Cc1n[nH+]c(C)c(C)c1C	Cc1nnc(C)c(C)c1C	mol4049	Cc1nnc(C)c(C)c1C
5.3600001335144	QSARToolbox	1	0	Cc1n[nH+]c(C)c(C)c1C	Cc1nnc(C)c(C)c1C	mol4049	Cc1nnc(C)c(C)c1C