pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.66	AvLiLuMoVe	1	0	CCN(CC)C(=O)Nc1ccc(OC[C@H](O)C[NH2+]C)c(C(C)=O)c1	CCN(CC)C(=O)Nc1ccc(OC[C@H](O)CNC)c(C(C)=O)c1	mol111	CCN(CC)C(=O)Nc1ccc(OCC(O)CNC)c(C(C)=O)c1