pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.0500001907349	QSARToolbox	0	-1	COc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21	COc1ccccc1C1=NCC(=O)[N-]c2ccc(Cl)cc21	mol34861	COc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21
3.66000008583069	QSARToolbox	1	0	COc1ccccc1C1=[NH+]CC(=O)Nc2ccc(Cl)cc21	COc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21	mol34861	COc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21