pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.01000022888184	QSARToolbox	0	-1	C[C@@H](C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1	C[C@@H](C(=O)[O-])c1ccc(N2CC=CC2)c(Cl)c1	mol29663	CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1
4.01	AttenGpKa training set	0	-1	C[C@@H](C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1	C[C@@H](C(=O)[O-])c1ccc(N2CC=CC2)c(Cl)c1	mol29663	CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1