pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.46	IUPAC digitized pKa	0	-1	ON=Cc1ccnc2ccccc12	[O-]N=Cc1ccnc2ccccc12	mol4473	ON=Cc1ccnc2ccccc12
10.42	OCHEM	0	-1	ON=Cc1ccnc2ccccc12	[O-]N=Cc1ccnc2ccccc12	mol4473	ON=Cc1ccnc2ccccc12
4.52	IUPAC digitized pKa	1	0	ON=Cc1cc[nH+]c2ccccc12,O[NH+]=Cc1ccnc2ccccc12	ON=Cc1ccnc2ccccc12	mol4473	ON=Cc1ccnc2ccccc12
4.5500002	OCHEM	1	0	ON=Cc1cc[nH+]c2ccccc12,O[NH+]=Cc1ccnc2ccccc12	ON=Cc1ccnc2ccccc12	mol4473	ON=Cc1ccnc2ccccc12