pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.01999998092651	QSARToolbox	2	1	COC[C@@H](O)C[NH+]1CC[NH2+]CC1	COC[C@@H](O)CN1CC[NH2+]CC1,COC[C@@H](O)C[NH+]1CCNCC1	mol36649	COCC(O)CN1CCNCC1