pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.53	AttenGpKa training set	1	0	O=C1c2cccc3cccc(c23)C(=O)N1CCC[NH2+]CCCN1C(=O)c2cccc3cccc(c23)C1=O	O=C1c2cccc3cccc(c23)C(=O)N1CCCNCCCN1C(=O)c2cccc3cccc(c23)C1=O	mol24422	O=C1c2cccc3cccc(c23)C(=O)N1CCCNCCCN1C(=O)c2cccc3cccc(c23)C1=O