pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.13	IUPAC digitized pKa	0	-1	CC(C)c1c(O)ncnc1Cl	CC(C)c1c([O-])ncnc1Cl	mol7230	CC(C)c1c(O)ncnc1Cl
8.13000011444092	QSARToolbox	0	-1	CC(C)c1c(O)ncnc1Cl	CC(C)c1c([O-])ncnc1Cl	mol7230	CC(C)c1c(O)ncnc1Cl
-0.91	IUPAC digitized pKa	1	0	CC(C)c1c(O)nc[nH+]c1Cl,CC(C)c1c(Cl)nc[nH+]c1O	CC(C)c1c(O)ncnc1Cl	mol7230	CC(C)c1c(O)ncnc1Cl
-0.910000026226044	QSARToolbox	1	0	CC(C)c1c(O)nc[nH+]c1Cl,CC(C)c1c(Cl)nc[nH+]c1O	CC(C)c1c(O)ncnc1Cl	mol7230	CC(C)c1c(O)ncnc1Cl