pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.41	AttenGpKa training set	1	0	Cc1nc2cnc(N)nc2[nH+]c1C,Cc1nc2nc(N)ncc2[nH+]c1C,Cc1nc2cnc(N)[nH+]c2nc1C,Cc1nc2cnc([NH3+])nc2nc1C,Cc1nc2c[nH+]c(N)nc2nc1C	Cc1nc2cnc(N)nc2nc1C	mol4726	Cc1nc2cnc(N)nc2nc1C