pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.18	IUPAC digitized pKa	1	0	Cn1cnc(=O)c2[nH+]ccnc21,Cn1cnc(=O)c2ncc[nH+]c21,Cn1c[nH+]c(=O)c2nccnc21	Cn1cnc(=O)c2nccnc21	mol4781	Cn1cnc(=O)c2nccnc21
1.25	AttenGpKa training set	1	0	Cn1cnc(=O)c2[nH+]ccnc21,Cn1cnc(=O)c2ncc[nH+]c21,Cn1c[nH+]c(=O)c2nccnc21	Cn1cnc(=O)c2nccnc21	mol4781	Cn1cnc(=O)c2nccnc21