pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
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	mol68	CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
8.48	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	mol68	CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
8.6569995880127	QSARToolbox	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	mol68	CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
8.31	Settimo	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	mol68	CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1