pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	OCHEM	0	-1	CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1	C[N-]/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,CN/C(=C/[N+](=O)[O-])[N-]CCSCc1ccc(CN(C)C)o1	mol418	CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
8.47	OCHEM	1	0	CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(C[NH+](C)C)o1	CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1	mol418	CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1