pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39000034332275	QSARToolbox	1	0	CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1C[C@@H](O)[C@@H](O)C2	CC(C)(C)NC[C@@H](O)COc1cccc2c1C[C@@H](O)[C@@H](O)C2	mol38047	CC(C)(C)NCC(O)COc1cccc2c1C[C@@H](O)[C@@H](O)C2