pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	IUPAC digitized pKa	1	0	COc1cc([NH3+])ncn1,COc1cc(N)[nH+]cn1,COc1cc(N)nc[nH+]1	COc1cc(N)ncn1	mol4095	COc1cc(N)ncn1
4.02	AttenGpKa training set	1	0	COc1cc([NH3+])ncn1,COc1cc(N)[nH+]cn1,COc1cc(N)nc[nH+]1	COc1cc(N)ncn1	mol4095	COc1cc(N)ncn1