pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.07999992370606	QSARToolbox	2	1	C[NH+](C)CCNC(=O)c1ccc(Nc2cc[nH+]c3cccc([N+](=O)[O-])c23)cc1,C[NH+](C)CCNC(=O)c1ccc([NH2+]c2ccnc3cccc([N+](=O)[O-])c23)cc1	CN(C)CCNC(=O)c1ccc([NH2+]c2ccnc3cccc([N+](=O)[O-])c23)cc1,C[NH+](C)CCNC(=O)c1ccc(Nc2ccnc3cccc([N+](=O)[O-])c23)cc1,CN(C)CCNC(=O)c1ccc(Nc2cc[nH+]c3cccc([N+](=O)[O-])c23)cc1	mol36245	CN(C)CCNC(=O)c1ccc(Nc2ccnc3cccc([N+](=O)[O-])c23)cc1