pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	AttenGpKa training set	1	0	CNC(=[NH2+])S[C@H]1CCN(c2ccc(OC)cc2)C1=O	CNC(=N)S[C@H]1CCN(c2ccc(OC)cc2)C1=O	mol27590	CNC(=N)SC1CCN(c2ccc(OC)cc2)C1=O