pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.94	AttenGpKa training set	1	0	Cc1cc(C)c2[nH+]c[nH]c2c1	Cc1cc(C)c2nc[nH]c2c1	mol26378	Cc1cc(C)c2nc[nH]c2c1
