pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	OCHEM	0	-1	C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	C[C@@H](C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12	mol19259	CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
4.44999980926514	QSARToolbox	0	-1	C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	C[C@@H](C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12	mol19259	CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
4.54	AttenGpKa training set	0	-1	C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	C[C@@H](C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12	mol19259	CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12