pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.81	AttenGpKa training set	1	0	Oc1ncc2c(n1)[NH2+][C@H](O)C=C2,Oc1nc2c(c[nH+]1)C=C[C@@H](O)N2,O[C@@H]1C=Cc2cnc([OH2+])nc2N1,Oc1ncc2c([nH+]1)N[C@H](O)C=C2	Oc1ncc2c(n1)N[C@H](O)C=C2	mol26212	Oc1ncc2c(n1)N[C@H](O)C=C2