pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.06	AvLiLuMoVe	1	0	CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)C[NH+](C)C	CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C	mol85	CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C