pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1999998092651	QSARToolbox	-1	-2	""	""	mol36702	COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)NC2OC(CC(=O)O)C(O)C(O)C2O)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C