pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6399998664856	QSARToolbox	1	0	C[N+]1(CCCCCCCCCCC(=O)O)CCCC1	C[N+]1(CCCCCCCCCCC(=O)[O-])CCCC1	mol36863	C[N+]1(CCCCCCCCCCC(=O)O)CCCC1