pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.85	AttenGpKa training set	1	0	c1ccc(C2=[NH+]O[C@H]3CCCC[C@H]23)cc1	c1ccc(C2=NO[C@H]3CCCC[C@H]23)cc1	mol30273	c1ccc(C2=NOC3CCCCC23)cc1