pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.41	Baltruschat ChEMBL	1	0	C[C@H]1C/C(=N/OC[C@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1	C[C@H]1C/C(=N/OC[C@H](O)CNC(C)(C)C)CC(C)(C)C1	mol17341	CC1C/C(=N/OCC(O)CNC(C)(C)C)CC(C)(C)C1