pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.95	AttenGpKa training set	0	-1	Cc1cnc2nc(O)ncc2n1	Cc1cnc2nc([O-])ncc2n1	mol4818	Cc1cnc2nc(O)ncc2n1
-0.2	AttenGpKa training set	1	0	Cc1cnc2nc(O)ncc2[nH+]1,Cc1c[nH+]c2nc(O)ncc2n1,Cc1cnc2nc(O)[nH+]cc2n1,Cc1cnc2[nH+]c(O)ncc2n1	Cc1cnc2nc(O)ncc2n1	mol4818	Cc1cnc2nc(O)ncc2n1