pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.76	OCHEM	1	0	Cc1ccc(C(=O)/C(=N/O)SCC[NH+](C)C)cc1	Cc1ccc(C(=O)/C(=N/O)SCCN(C)C)cc1,Cc1ccc(C(=O)/C(=N/[O-])SCC[NH+](C)C)cc1	mol20726	Cc1ccc(C(=O)/C(=N/O)SCCN(C)C)cc1