pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	AttenGpKa training set	0	-1	Cn1c[nH+]c(C[C@H](N)C(=O)[O-])c1,Cn1cnc(C[C@H]([NH3+])C(=O)[O-])c1	Cn1cnc(C[C@H](N)C(=O)[O-])c1	mol29336	Cn1cnc(C[C@H](N)C(=O)O)c1
6.48	AttenGpKa training set	1	0	Cn1c[nH+]c(C[C@H]([NH3+])C(=O)[O-])c1	Cn1c[nH+]c(C[C@H](N)C(=O)[O-])c1,Cn1cnc(C[C@H]([NH3+])C(=O)[O-])c1	mol29336	Cn1cnc(C[C@H](N)C(=O)O)c1
1.69	AttenGpKa training set	2	1	Cn1c[nH+]c(C[C@H]([NH3+])C(=O)O)c1	Cn1c[nH+]c(C[C@H]([NH3+])C(=O)[O-])c1	mol29336	Cn1cnc(C[C@H](N)C(=O)O)c1