pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	AttenGpKa training set	0	-1	CCCC[C@@H]1C(=O)N(c2ccccc2)N(c2ccc([N+](=O)[O-])cc2)C1=O	CCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1=O	mol12253	CCCCC1C(=O)N(c2ccccc2)N(c2ccc([N+](=O)[O-])cc2)C1=O