pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.72	IUPAC digitized pKa	1	0	Cc1nc2c(=O)n(C)c(=[NH2+])nc-2n(C)c1C,Cc1[nH+]c2c(=O)n(C)c(=N)nc-2n(C)c1C,Cc1nc2c(=O)n(C)c(=N)[nH+]c-2n(C)c1C	Cc1nc2c(=O)n(C)c(=N)nc-2n(C)c1C	mol8231	Cc1nc2c(=O)n(C)c(=N)nc-2n(C)c1C