pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.73000001907349	QSARToolbox	1	0	O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2C[NH2+]1	O=C([O-])[C@@H]1Cc2[nH]cnc2C[NH2+]1,O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1	mol36327	O=C(O)[C@@H]1Cc2[nH]cnc2CN1