pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	AttenGpKa training set	0	-1	CCOC(=O)c1c(C)[nH]c(/C=N/O)c1O	CCOC(=O)c1c(C)[nH]c(/C=N/[O-])c1O,CCOC(=O)c1c(C)[n-]c(/C=N/O)c1O,CCOC(=O)c1c(C)[nH]c(/C=N/O)c1[O-]	mol29586	CCOC(=O)c1c(C)[nH]c(/C=N/O)c1O
9.74	AttenGpKa training set	-1	-2	CCOC(=O)c1c(C)[nH]c(/C=N/[O-])c1O,CCOC(=O)c1c(C)[n-]c(/C=N/O)c1O,CCOC(=O)c1c(C)[nH]c(/C=N/O)c1[O-]	CCOC(=O)c1c(C)[nH]c(/C=N/[O-])c1[O-],CCOC(=O)c1c(C)[n-]c(/C=N/O)c1[O-],CCOC(=O)c1c(C)[n-]c(/C=N/[O-])c1O	mol29586	CCOC(=O)c1c(C)[nH]c(/C=N/O)c1O