pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.59	OCHEM	1	0	CNC(=C[N+](=O)[O-])NCCSCc1csc(C[NH+](C)C)n1	CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1	mol17493	CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
6.8	Baltruschat ChEMBL	1	0	CNC(=C[N+](=O)[O-])NCCSCc1csc(C[NH+](C)C)n1	CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1	mol17493	CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1