pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5100002288818	QSARToolbox	0	-1	O=C([O-])C12CC[NH+](CC1)CC2	O=C([O-])C12CCN(CC1)CC2	mol24549	O=C(O)C12CCN(CC1)CC2
10.54	AttenGpKa training set	0	-1	O=C([O-])C12CC[NH+](CC1)CC2	O=C([O-])C12CCN(CC1)CC2	mol24549	O=C(O)C12CCN(CC1)CC2
3.54	AttenGpKa training set	1	0	O=C(O)C12CC[NH+](CC1)CC2	O=C([O-])C12CC[NH+](CC1)CC2	mol24549	O=C(O)C12CCN(CC1)CC2