pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.59	Datawarrior	0	-1	O=S1(=O)N=CNc2nc[nH]c21	O=S1(=O)N=CNc2nc[n-]c21	mol13987	O=S1(=O)N=CNc2nc[nH]c21
5.5900002	OCHEM	0	-1	O=S1(=O)N=CNc2nc[nH]c21	O=S1(=O)N=CNc2nc[n-]c21	mol13987	O=S1(=O)N=CNc2nc[nH]c21
5.59000015258789	QSARToolbox	0	-1	O=S1(=O)N=CNc2nc[nH]c21	O=S1(=O)N=CNc2nc[n-]c21	mol13987	O=S1(=O)N=CNc2nc[nH]c21
11.0	Datawarrior	-1	-2	O=S1(=O)N=CNc2nc[n-]c21	O=S1(=O)N=C[N-]c2nc[n-]c21	mol13987	O=S1(=O)N=CNc2nc[nH]c21