pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.94	AttenGpKa training set	0	-1	Cc1cc(=O)c(O)c(C(=O)Nc2ccccn2)n1C	Cc1cc(=O)c([O-])c(C(=O)Nc2ccccn2)n1C	mol25135	Cc1cc(=O)c(O)c(C(=O)Nc2ccccn2)n1C
3.9	AttenGpKa training set	1	0	Cc1cc(=O)c(O)c(C(=O)Nc2cccc[nH+]2)n1C	Cc1cc(=O)c(O)c(C(=O)Nc2ccccn2)n1C	mol25135	Cc1cc(=O)c(O)c(C(=O)Nc2ccccn2)n1C