pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39999961853027	QSARToolbox	1	0	O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@@H]1CCCC[NH+]1C3	O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@@H]1CCCCN1C3	mol37605	O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@@H]1CCCCN1C3