pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.82	AttenGpKa training set	1	0	CC[NH2+]CCS/C(=N\O)C(=O)c1ccc(OC)cc1	CC[NH2+]CCS/C(=N\[O-])C(=O)c1ccc(OC)cc1,CCNCCS/C(=N\O)C(=O)c1ccc(OC)cc1	mol31643	CCNCCS/C(=N\O)C(=O)c1ccc(OC)cc1