pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Baltruschat ChEMBL	1	0	[NH3+]CCc1c[nH]c2c1C(=O)C([O-])=C(C1=C(O)c3[nH]cc(CC[NH3+])c3C(=O)C1=O)C2=O,[NH3+]CCc1c[nH]c2c1C(=O)C(O)=C(C1=C([O-])c3[nH]cc(CC[NH3+])c3C(=O)C1=O)C2=O	[NH3+]CCc1c[nH]c2c1C(=O)C([O-])=C(C1=C([O-])c3[nH]cc(CC[NH3+])c3C(=O)C1=O)C2=O,NCCc1c[nH]c2c1C(=O)C(=O)C(C1=C(O)C(=O)c3c(CC[NH3+])c[nH]c3C1=O)=C2[O-],NCCc1c[nH]c2c1C(=O)C([O-])=C(C1=C(O)c3[nH]cc(CC[NH3+])c3C(=O)C1=O)C2=O,NCCc1c[nH]c2c1C(=O)C(=O)C(C1=C([O-])C(=O)c3c(CC[NH3+])c[nH]c3C1=O)=C2O,NCCc1c[nH]c2c1C(=O)C(O)=C(C1=C([O-])c3[nH]cc(CC[NH3+])c3C(=O)C1=O)C2=O	mol18180	NCCc1c[nH]c2c1C(=O)C(O)=C(C1=C(O)c3[nH]cc(CCN)c3C(=O)C1=O)C2=O