pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.66	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]1C[NH2+][C@@H](C)CN1	C[C@H]1CN[C@@H](C)CN1	mol21811	CC1CNC(C)CN1
9.9799995	OCHEM	1	0	C[C@H]1C[NH2+][C@@H](C)CN1	C[C@H]1CN[C@@H](C)CN1	mol21811	CC1CNC(C)CN1
9.65999984741211	QSARToolbox	1	0	C[C@H]1C[NH2+][C@@H](C)CN1	C[C@H]1CN[C@@H](C)CN1	mol21811	CC1CNC(C)CN1
5.2	OCHEM	2	1	C[C@H]1C[NH2+][C@@H](C)C[NH2+]1	C[C@H]1C[NH2+][C@@H](C)CN1	mol21811	CC1CNC(C)CN1
5.19999980926514	QSARToolbox	2	1	C[C@H]1C[NH2+][C@@H](C)C[NH2+]1	C[C@H]1C[NH2+][C@@H](C)CN1	mol21811	CC1CNC(C)CN1