pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.8	AttenGpKa training set	0	-1	CON[C@H](O)c1ccc(Cl)cc1	CON[C@H]([O-])c1ccc(Cl)cc1	mol31201	CONC(O)c1ccc(Cl)cc1
2.0	AttenGpKa training set	1	0	CO[NH2+][C@H](O)c1ccc(Cl)cc1	CON[C@H](O)c1ccc(Cl)cc1	mol31201	CONC(O)c1ccc(Cl)cc1
7.3	AttenGpKa training set	1	0	CO[NH2+][C@H](O)c1ccc(Cl)cc1	CON[C@H](O)c1ccc(Cl)cc1	mol31201	CONC(O)c1ccc(Cl)cc1
8.5	AttenGpKa training set	1	0	CO[NH2+][C@H](O)c1ccc(Cl)cc1	CON[C@H](O)c1ccc(Cl)cc1	mol31201	CONC(O)c1ccc(Cl)cc1