pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.32	Baltruschat ChEMBL	0	-1	O=C([O-])[C@@H]1CCC[NH2+]C1	O=C([O-])[C@@H]1CCCNC1	mol16200	O=C(O)C1CCCNC1
10.3	Baltruschat ChEMBL	0	-1	O=C([O-])[C@@H]1CCC[NH2+]C1	O=C([O-])[C@@H]1CCCNC1	mol16200	O=C(O)C1CCCNC1
10.2	AttenGpKa training set	0	-1	O=C([O-])[C@@H]1CCC[NH2+]C1	O=C([O-])[C@@H]1CCCNC1	mol16200	O=C(O)C1CCCNC1
3.9	OCHEM	1	0	O=C(O)[C@@H]1CCC[NH2+]C1	O=C([O-])[C@@H]1CCC[NH2+]C1	mol16200	O=C(O)C1CCCNC1
2.03	OCHEM	1	0	O=C(O)[C@@H]1CCC[NH2+]C1	O=C([O-])[C@@H]1CCC[NH2+]C1	mol16200	O=C(O)C1CCCNC1
3.45	Baltruschat ChEMBL	1	0	O=C(O)[C@@H]1CCC[NH2+]C1	O=C([O-])[C@@H]1CCC[NH2+]C1	mol16200	O=C(O)C1CCCNC1