pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.67	AttenGpKa training set	1	0	CC(C)[NH2+]C[C@H](O)COc1ccc2ccccc2c1	CC(C)NC[C@H](O)COc1ccc2ccccc2c1	mol24411	CC(C)NCC(O)COc1ccc2ccccc2c1