pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.44	AttenGpKa training set	0	-1	CNC(=O)c1c(O)c(=O)cc(C)n1C	CNC(=O)c1c([O-])c(=O)cc(C)n1C	mol25112	CNC(=O)c1c(O)c(=O)cc(C)n1C
2.77	AttenGpKa training set	1	0	CNC(=O)c1c(O)c(=[OH+])cc(C)n1C,CNC(=[OH+])c1c(O)c(=O)cc(C)n1C	CNC(=O)c1c(O)c(=O)cc(C)n1C	mol25112	CNC(=O)c1c(O)c(=O)cc(C)n1C