pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46999979019165	QSARToolbox	1	0	O=C(O)CCCn1cc[n+](CCCC(=O)O)c1	O=C([O-])CCC[n+]1ccn(CCCC(=O)O)c1,O=C([O-])CCCn1cc[n+](CCCC(=O)O)c1	mol36106	O=C([O-])CCC[n+]1ccn(CCCC(=O)O)c1