pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.95	Datawarrior	0	-1	C=C(C)C1=C(O)C[C@@H](C)CC1	C=C(C)C1=C([O-])C[C@@H](C)CC1	mol14111	C=C(C)C1=C(O)CC(C)CC1
11.9499998092651	QSARToolbox	0	-1	C=C(C)C1=C(O)C[C@@H](C)CC1	C=C(C)C1=C([O-])C[C@@H](C)CC1	mol14111	C=C(C)C1=C(O)CC(C)CC1