pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.45	Baltruschat ChEMBL	1	0	C/C(=N/OC[C@H](O)C[NH2+]C(C)(C)C)C1CC1	C/C(=N/OC[C@H](O)CNC(C)(C)C)C1CC1	mol17334	C/C(=N/OCC(O)CNC(C)(C)C)C1CC1