pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.05	AttenGpKa training set	-1	-2	[O-]c1ncc2c(n1)N[C@@H](O)C=N2,Oc1ncc2c(n1)[N-][C@@H](O)C=N2	[O-]c1ncc2c(n1)[N-][C@@H](O)C=N2,Oc1ncc2c(n1)[N-][C-](O)C=N2,[O-][C@H]1C=Nc2cnc(O)nc2[N-]1,[O-]c1ncc2c(n1)N[C-](O)C=N2,[O-][C-]1C=Nc2cnc(O)nc2N1	mol26214	Oc1ncc2c(n1)NC(O)C=N2