pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	IUPAC digitized pKa	0	-1	Cc1nc(C)c2[nH]c(C)nc2n1	Cc1nc(C)c2[n-]c(C)nc2n1	mol10448	Cc1nc(C)c2[nH]c(C)nc2n1
4.49	IUPAC digitized pKa	1	0	Cc1nc(C)c2[nH]c(C)[nH+]c2n1,Cc1nc2[nH+]c(C)nc(C)c2[nH]1,Cc1nc2nc(C)[nH+]c(C)c2[nH]1	Cc1nc(C)c2[nH]c(C)nc2n1	mol10448	Cc1nc(C)c2[nH]c(C)nc2n1