pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.80000019073486	QSARToolbox	1	0	C=CCOc1ccccc1OC[C@@H](C[NH2+]C(C)C)OC(=O)CCCCC	C=CCOc1ccccc1OC[C@@H](CNC(C)C)OC(=O)CCCCC	mol38277	C=CCOc1ccccc1OCC(CNC(C)C)OC(=O)CCCCC