pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23	AttenGpKa training set	1	0	Oc1cccc(-n2cc[nH+]c2)c1	Oc1cccc(-n2ccnc2)c1	mol25393	Oc1cccc(-n2ccnc2)c1
