pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.33	OCHEM	1	0	CNC(=O)c1cc(NCc2c(C)cccc2C)c2[nH]c(C)cc2[nH+]1,CNC(=O)c1cc([NH2+]Cc2c(C)cccc2C)c2[nH]c(C)cc2n1	CNC(=O)c1cc(NCc2c(C)cccc2C)c2[nH]c(C)cc2n1	mol19314	CNC(=O)c1cc(NCc2c(C)cccc2C)c2[nH]c(C)cc2n1
7.32999992370606	QSARToolbox	1	0	CNC(=O)c1cc(NCc2c(C)cccc2C)c2[nH]c(C)cc2[nH+]1,CNC(=O)c1cc([NH2+]Cc2c(C)cccc2C)c2[nH]c(C)cc2n1	CNC(=O)c1cc(NCc2c(C)cccc2C)c2[nH]c(C)cc2n1	mol19314	CNC(=O)c1cc(NCc2c(C)cccc2C)c2[nH]c(C)cc2n1