pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	AttenGpKa training set	1	0	CC[NH2+]CCS/C(=N\O)C(=O)c1ccccc1	CCNCCS/C(=N\O)C(=O)c1ccccc1,CC[NH2+]CCS/C(=N\[O-])C(=O)c1ccccc1	mol31637	CCNCCS/C(=N\O)C(=O)c1ccccc1