pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.94	Baltruschat ChEMBL	1	0	C[C@H]1C[C@H](OC[C@@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1	C[C@H]1C[C@H](OC[C@@H](O)CNC(C)(C)C)CC(C)(C)C1	mol17340	CC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1