pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.0900001525879	QSARToolbox	3	1	C[NH+](C)c1ccc(/C=C2\NC(=[OH+])N(c3ccccc3)C2=[OH+])cc1	C[NH+](C)c1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1	mol36405	CN(C)c1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1