pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.124	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.18	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.15	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.141	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.134	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.128	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.127	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.131	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.136	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.42	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
2.12	OCHEM	0	-1	CC(C)C(C(=O)O)(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
8.848	IUPAC digitized pKa	-1	-2	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)[O-])C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
8.6	IUPAC digitized pKa	-1	-2	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)[O-])C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
8.829	IUPAC digitized pKa	-1	-2	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)[O-])C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
8.827	IUPAC digitized pKa	-1	-2	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)[O-])C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
8.83	IUPAC digitized pKa	-1	-2	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)[O-])C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
8.838	IUPAC digitized pKa	-1	-2	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)[O-])C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C
8.861	IUPAC digitized pKa	-1	-2	CC(C)C(C(=O)[O-])(C(=O)O)C(C)C	CC(C)C(C(=O)[O-])(C(=O)[O-])C(C)C	mol10930	CC(C)C(C(=O)O)(C(=O)O)C(C)C