pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.46	IUPAC digitized pKa	2	1	CCOC(=O)c1[nH+]c2c(OC(C)C)nc([NH3+])nc2n(C)c1=O,CCOC(=O)c1[nH+]c2c(OC(C)C)nc(N)[nH+]c2n(C)c1=O,CCOC(=O)c1[nH+]c2c(OC(C)C)[nH+]c(N)nc2n(C)c1=O	CCOC(=O)c1nc2c(OC(C)C)[nH+]c(N)nc2n(C)c1=O,CCOC(=O)c1[nH+]c2c(OC(C)C)nc(N)nc2n(C)c1=O,CCOC(=O)c1nc2c(OC(C)C)nc([NH3+])nc2n(C)c1=O,CCOC(=O)c1nc2c(OC(C)C)nc(N)[nH+]c2n(C)c1=O	mol8080	CCOC(=O)c1nc2c(OC(C)C)nc(N)nc2n(C)c1=O