pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3000001907349	QSARToolbox	0	-1	CSc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2	CSc1ccc2c(c1)C(c1ccccc1)=NCC(=O)[N-]2	mol35091	CSc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
12.2700004577637	QSARToolbox	0	-1	CSc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2	CSc1ccc2c(c1)C(c1ccccc1)=NCC(=O)[N-]2	mol35091	CSc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
3.96000003814697	QSARToolbox	1	0	CSc1ccc2c(c1)C(c1ccccc1)=[NH+]CC(=O)N2	CSc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2	mol35091	CSc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2