pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	AttenGpKa training set	1	0	CCOC(=O)c1ccc2[nH+]cccc2c1,CCOC(=[OH+])c1ccc2ncccc2c1	CCOC(=O)c1ccc2ncccc2c1	mol26083	CCOC(=O)c1ccc2ncccc2c1