pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.03	IUPAC digitized pKa	0	-1	O=c1ccc(Cl)c[nH]1	O=c1ccc(Cl)c[n-]1	mol6398	O=c1ccc(Cl)c[nH]1
9.98	AttenGpKa training set	0	-1	O=c1ccc(Cl)c[nH]1	O=c1ccc(Cl)c[n-]1	mol6398	O=c1ccc(Cl)c[nH]1
0.01	IUPAC digitized pKa	1	0	[OH+]=c1ccc(Cl)c[nH]1	O=c1ccc(Cl)c[nH]1	mol6398	O=c1ccc(Cl)c[nH]1
0.100000001490116	QSARToolbox	1	0	[OH+]=c1ccc(Cl)c[nH]1	O=c1ccc(Cl)c[nH]1	mol6398	O=c1ccc(Cl)c[nH]1
1.29999995231628	QSARToolbox	1	0	[OH+]=c1ccc(Cl)c[nH]1	O=c1ccc(Cl)c[nH]1	mol6398	O=c1ccc(Cl)c[nH]1