pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.12	IUPAC digitized pKa	0	-1	Nc1n[nH]c(N)n1	Nc1n[n-]c(N)n1	mol7669	Nc1n[nH]c(N)n1
11.97	AttenGpKa training set	0	-1	Nc1n[nH]c(N)n1	Nc1n[n-]c(N)n1	mol7669	Nc1n[nH]c(N)n1
4.43	IUPAC digitized pKa	1	0	Nc1nc(N)[nH+][nH]1,Nc1n[nH]c([NH3+])n1,Nc1n[nH]c(N)[nH+]1,Nc1nc([NH3+])n[nH]1	Nc1n[nH]c(N)n1	mol7669	Nc1n[nH]c(N)n1
4.36	AttenGpKa training set	1	0	Nc1nc(N)[nH+][nH]1,Nc1n[nH]c([NH3+])n1,Nc1n[nH]c(N)[nH+]1,Nc1nc([NH3+])n[nH]1	Nc1n[nH]c(N)n1	mol7669	Nc1n[nH]c(N)n1