pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	AttenGpKa training set	1	0	C[NH2+]CCS/C(=N\O)C(=O)c1ccc(OC)cc1	C[NH2+]CCS/C(=N\[O-])C(=O)c1ccc(OC)cc1,CNCCS/C(=N\O)C(=O)c1ccc(OC)cc1	mol31641	CNCCS/C(=N\O)C(=O)c1ccc(OC)cc1