pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.53	Datawarrior	1	0	CN(C)S(=O)(=O)c1ccc([NH3+])cc1,C[NH+](C)S(=O)(=O)c1ccc(N)cc1	CN(C)S(=O)(=O)c1ccc(N)cc1	mol13884	CN(C)S(=O)(=O)c1ccc(N)cc1
1.52999997138977	QSARToolbox	1	0	CN(C)S(=O)(=O)c1ccc([NH3+])cc1,C[NH+](C)S(=O)(=O)c1ccc(N)cc1	CN(C)S(=O)(=O)c1ccc(N)cc1	mol13884	CN(C)S(=O)(=O)c1ccc(N)cc1
2.11	AttenGpKa training set	1	0	CN(C)S(=O)(=O)c1ccc([NH3+])cc1,C[NH+](C)S(=O)(=O)c1ccc(N)cc1	CN(C)S(=O)(=O)c1ccc(N)cc1	mol13884	CN(C)S(=O)(=O)c1ccc(N)cc1