pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	QSARToolbox	1	0	C=CCOc1ccccc1OC[C@@H](C[NH2+]C(C)C)OC(=O)C1CC1	C=CCOc1ccccc1OC[C@@H](CNC(C)C)OC(=O)C1CC1	mol34479	C=CCOc1ccccc1OCC(CNC(C)C)OC(=O)C1CC1