pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.64	Baltruschat ChEMBL	1	0	CC(C)(C)[NH2+]C[C@@H](O)CON=C(C1CC1)C1CC1	CC(C)(C)NC[C@@H](O)CON=C(C1CC1)C1CC1	mol17333	CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1
9.80000019073486	QSARToolbox	1	0	CC(C)(C)[NH2+]C[C@@H](O)CON=C(C1CC1)C1CC1	CC(C)(C)NC[C@@H](O)CON=C(C1CC1)C1CC1	mol17333	CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1