pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	IUPAC digitized pKa	0	-1	CC(=CCc1ncnc2nc[nH]c12)CO	CC(=CCc1ncnc2nc[n-]c12)CO	mol8311	CC(=CCc1ncnc2nc[nH]c12)CO
4.4	IUPAC digitized pKa	1	0	CC(=CCc1nc[nH+]c2nc[nH]c12)CO,CC(=CCc1[nH+]cnc2nc[nH]c12)CO,CC(=CCc1ncnc2[nH+]c[nH]c12)CO	CC(=CCc1ncnc2nc[nH]c12)CO	mol8311	CC(=CCc1ncnc2nc[nH]c12)CO