pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.0	QSARToolbox	0	-1	Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2	Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)[N-]2	mol33885	Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
12.9799995422363	QSARToolbox	0	-1	Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2	Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)[N-]2	mol33885	Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
4.51000022888184	QSARToolbox	2	1	[NH3+]c1ccc2c(c1)C(c1ccccc1)=[NH+]CC(=O)N2	[NH3+]c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2,Nc1ccc2c(c1)C(c1ccccc1)=[NH+]CC(=O)N2	mol33885	Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2