pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.05	AttenGpKa training set	-1	-2	Cc1ncc2c(n1)N[C@H](O)C([O-])=N2,Cc1ncc2c(n1)N[C-](O)C(O)=N2,Cc1ncc2c(n1)[N-][C@H](O)C(O)=N2	Cc1ncc2c(n1)[N-][C-](O)C(O)=N2,Cc1ncc2c(n1)N[C-](O)C([O-])=N2,Cc1ncc2c(n1)[N-][C@H]([O-])C(O)=N2,Cc1ncc2c(n1)N[C-]([O-])C(O)=N2	mol26239	Cc1ncc2c(n1)NC(O)C(O)=N2