pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.53	Hunt	1	0	CCC(=O)C(C[C@H](C)[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	CCC(=O)C(C[C@H](C)N1CCCCC1)(c1ccccc1)c1ccccc1	mol2121	CCC(=O)C(C[C@H](C)N1CCCCC1)(c1ccccc1)c1ccccc1