pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05000019073486	QSARToolbox	1	0	COC(=O)[C@@H](C)N[C@@H](O)c1cc[nH+]cc1,COC(=O)[C@@H](C)[NH2+][C@@H](O)c1ccncc1	COC(=O)[C@@H](C)N[C@@H](O)c1ccncc1	mol36571	COC(=O)C(C)NC(O)c1ccncc1