pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3	Datawarrior	0	-1	Cc1nc2c(N)cccc2[nH]1	Cc1nc2c(N)cccc2[n-]1	mol4491	Cc1nc2c(N)cccc2[nH]1
5.9	IUPAC digitized pKa	1	0	Cc1nc2c([NH3+])cccc2[nH]1,Cc1[nH]c2cccc(N)c2[nH+]1	Cc1nc2c(N)cccc2[nH]1	mol4491	Cc1nc2c(N)cccc2[nH]1
8.1	Datawarrior	1	0	Cc1nc2c([NH3+])cccc2[nH]1,Cc1[nH]c2cccc(N)c2[nH+]1	Cc1nc2c(N)cccc2[nH]1	mol4491	Cc1nc2c(N)cccc2[nH]1
8.1000004	OCHEM	1	0	Cc1nc2c([NH3+])cccc2[nH]1,Cc1[nH]c2cccc(N)c2[nH+]1	Cc1nc2c(N)cccc2[nH]1	mol4491	Cc1nc2c(N)cccc2[nH]1
1.7	IUPAC digitized pKa	2	1	Cc1[nH]c2cccc([NH3+])c2[nH+]1	Cc1nc2c([NH3+])cccc2[nH]1,Cc1[nH]c2cccc(N)c2[nH+]1	mol4491	Cc1nc2c(N)cccc2[nH]1