pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.05	AttenGpKa training set	1	0	Cc1c[nH+]c2nc(N)ncc2n1,Cc1cnc2[nH+]c(N)ncc2n1,Cc1cnc2nc(N)[nH+]cc2n1,Cc1cnc2nc([NH3+])ncc2n1,Cc1cnc2nc(N)ncc2[nH+]1	Cc1cnc2nc(N)ncc2n1	mol4738	Cc1cnc2nc(N)ncc2n1