pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	1	0	CCC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1	CCC(C)(C)NC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1	mol17495	CCC(C)(C)NCC(O)COc1ccccc1C(=O)CCc1ccccc1