pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.75	IUPAC digitized pKa	1	0	C[C@@H]1N(C)c2c(nc([NH3+])n(C)c2=O)NC1(C)C,C[C@@H]1N(C)c2c(nc(N)n(C)c2=O)[NH2+]C1(C)C,C[C@@H]1[NH+](C)c2c(nc(N)n(C)c2=O)NC1(C)C,C[C@@H]1N(C)c2c([nH+]c(N)n(C)c2=O)NC1(C)C	C[C@@H]1N(C)c2c(nc(N)n(C)c2=O)NC1(C)C	mol8083	CC1N(C)c2c(nc(N)n(C)c2=O)NC1(C)C