pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8800001	OCHEM	0	-1	C[C@@H]1CCC[C@H](C(=O)O)C1	C[C@@H]1CCC[C@H](C(=O)[O-])C1	mol32449	CC1CCCC(C(=O)O)C1
4.795	OCHEM	0	-1	C[C@@H]1CCC[C@H](C(=O)O)C1	C[C@@H]1CCC[C@H](C(=O)[O-])C1	mol32449	CC1CCCC(C(=O)O)C1
5.19999980926514	QSARToolbox	0	-1	C[C@@H]1CCC[C@H](C(=O)O)C1	C[C@@H]1CCC[C@H](C(=O)[O-])C1	mol32449	CC1CCCC(C(=O)O)C1
4.57000017166138	QSARToolbox	0	-1	C[C@@H]1CCC[C@H](C(=O)O)C1	C[C@@H]1CCC[C@H](C(=O)[O-])C1	mol32449	CC1CCCC(C(=O)O)C1