pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	OCHEM	1	0	CCOC(=[OH+])c1c(C)nc(C)c(C(=O)CC)c1C,CCOC(=O)c1c(C)[nH+]c(C)c(C(=O)CC)c1C,CCOC(=O)c1c(C)nc(C)c(C(=[OH+])CC)c1C	CCOC(=O)c1c(C)nc(C)c(C(=O)CC)c1C	mol33249	CCOC(=O)c1c(C)nc(C)c(C(=O)CC)c1C
3.79999995231628	QSARToolbox	1	0	CCOC(=[OH+])c1c(C)nc(C)c(C(=O)CC)c1C,CCOC(=O)c1c(C)[nH+]c(C)c(C(=O)CC)c1C,CCOC(=O)c1c(C)nc(C)c(C(=[OH+])CC)c1C	CCOC(=O)c1c(C)nc(C)c(C(=O)CC)c1C	mol33249	CCOC(=O)c1c(C)nc(C)c(C(=O)CC)c1C