pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Novartis	0	-1	COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12	COc1ccc(N2CCOCC2)c2sc([N-]C(=O)N3CCC(C)(O)CC3)nc12	mol2857	COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12