pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	AttenGpKa training set	0	-1	C[NH+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc([O-])cc13,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13	CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc([O-])cc13	mol16275	CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13