pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.80000019073486	QSARToolbox	1	0	O[C@H](C[NH2+]c1ccccc1)CON=C(C1CC1)C1CC1,O[C@H](CNc1ccccc1)CO[NH+]=C(C1CC1)C1CC1,[OH2+][C@H](CNc1ccccc1)CON=C(C1CC1)C1CC1	O[C@H](CNc1ccccc1)CON=C(C1CC1)C1CC1	mol38432	OC(CNc1ccccc1)CON=C(C1CC1)C1CC1