pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.42	AttenGpKa training set	0	-1	Cc1c(C(=O)O)nn(-c2ccccc2)c(=O)c1C#N	Cc1c(C(=O)[O-])nn(-c2ccccc2)c(=O)c1C#N	mol24885	Cc1c(C(=O)O)nn(-c2ccccc2)c(=O)c1C#N