pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.80000019073486	QSARToolbox	1	0	CC[NH+](CC)c1ccc2c(c1)Oc1c(O)c(O)cc(C(N)=O)c1N2,CCN(CC)c1ccc2c(c1)Oc1c(O)c(O)cc(C(N)=O)c1[NH2+]2	CC[NH+](CC)c1ccc2c(c1)Oc1c([O-])c(O)cc(C(N)=O)c1N2,CCN(CC)c1ccc2c(c1)Oc1c(O)c(O)cc(C(N)=O)c1N2,CC[NH+](CC)c1ccc2c(c1)Oc1c(O)c([O-])cc(C(N)=O)c1N2	mol38165	CCN(CC)c1ccc2c(c1)Oc1c(O)c(O)cc(C(N)=O)c1N2