pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.17	IUPAC digitized pKa	1	0	Cn1cc[nH+]c2c(=O)n(C)c(=N)nc1-2,Cn1ccnc2c(=O)n(C)c(=N)[nH+]c1-2,Cn1ccnc2c(=O)n(C)c(=[NH2+])nc1-2	Cn1ccnc2c(=O)n(C)c(=N)nc1-2	mol8229	Cn1ccnc2c(=O)n(C)c(=N)nc1-2