pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	OCHEM	0	-1	C[C@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1	C[C@H](C(=O)[O-])c1ccc(N2Cc3ccccc3C2=O)cc1	mol18107	CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1
4.42	AttenGpKa training set	0	-1	C[C@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1	C[C@H](C(=O)[O-])c1ccc(N2Cc3ccccc3C2=O)cc1	mol18107	CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1