pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39999961853027	QSARToolbox	1	0	CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)CON=C(C1CC1)C1CC1,CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)CO[NH+]=C(C1CC1)C1CC1	CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)CON=C(C1CC1)C1CC1	mol38075	CC(C)(Cc1c[nH]c2ccccc12)NCC(O)CON=C(C1CC1)C1CC1