pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.95	IUPAC digitized pKa	0	-1	Cc1n[nH]c2nc(N)nc(=O)c-2n1	Cc1n[n-]c2nc(N)nc(=O)c-2n1	mol9669	Cc1n[nH]c2nc(N)nc(=O)c-2n1
1.14	IUPAC digitized pKa	1	0	Cc1n[nH]c2[nH+]c(N)nc(=O)c-2n1,Cc1nc2c(=O)nc(N)nc-2[nH][nH+]1,Cc1n[nH]c2nc(N)[nH+]c(=O)c-2n1,Cc1n[nH]c2nc(N)nc(=O)c-2[nH+]1,Cc1n[nH]c2nc([NH3+])nc(=O)c-2n1	Cc1n[nH]c2nc(N)nc(=O)c-2n1	mol9669	Cc1n[nH]c2nc(N)nc(=O)c-2n1