pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.46000003814697	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	mol37034	O=C(O)CCCn1cc[n+](CCCC(=O)O)c1
3.65000009536743	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	mol37034	O=C(O)CCCn1cc[n+](CCCC(=O)O)c1