pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.52	AttenGpKa training set	1	0	CCC[NH+](CCC)CCc1c(Cl)ccc2c1CC(=O)N2	CCCN(CCC)CCc1c(Cl)ccc2c1CC(=O)N2	mol29786	CCCN(CCC)CCc1c(Cl)ccc2c1CC(=O)N2