pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.8	IUPAC digitized pKa	1	0	CNc1ccnc(Cl)[nH+]1,CNc1cc[nH+]c(Cl)n1,C[NH2+]c1ccnc(Cl)n1	CNc1ccnc(Cl)n1	mol4121	CNc1ccnc(Cl)n1
2.81	AttenGpKa training set	1	0	CNc1ccnc(Cl)[nH+]1,CNc1cc[nH+]c(Cl)n1,C[NH2+]c1ccnc(Cl)n1	CNc1ccnc(Cl)n1	mol4121	CNc1ccnc(Cl)n1