pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.11	IUPAC digitized pKa	1	0	CCOC(=O)C(C(=O)OCC)[C@H]1Nc2nc[nH+]cc2N=C1O,CCOC(=O)C(C(=O)OCC)[C@H]1Nc2[nH+]cncc2N=C1O,CCOC(=O)C(C(=O)OCC)[C@H]1Nc2ncncc2[NH+]=C1O,CCOC(=O)C(C(=O)OCC)[C@H]1[NH2+]c2ncncc2N=C1O	CCOC(=O)C(C(=O)OCC)[C@H]1Nc2ncncc2N=C1O	mol4756	CCOC(=O)C(C(=O)OCC)C1Nc2ncncc2N=C1O
10.19	IUPAC digitized pKa	-1	-2	CCOC(=O)C(C(=O)OCC)[C@H]1Nc2ncncc2N=C1[O-]	CCOC(=O)[C-](C(=O)OCC)[C@H]1Nc2ncncc2N=C1[O-],CCOC(=O)C(C(=O)OCC)[C@H]1[N-]c2ncncc2N=C1[O-],CCOC(=O)[C-](C(=O)OCC)[C@H]1[N-]c2ncncc2N=C1O	mol4756	CCOC(=O)C(C(=O)OCC)C1Nc2ncncc2N=C1O