pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.87	Baltruschat ChEMBL	0	-1	CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O	CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[n-]c4ccccc4c3C[C@@H]2C1=O	mol20856	CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O