pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.37	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
10.32	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.64	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.566	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.495	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.431	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.316	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.266	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.22	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.178	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.14	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.105	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.075	IUPAC digitized pKa	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
9.36999988555908	QSARToolbox	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1