pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.64	AttenGpKa training set	1	0	CC(C)[NH2+]C[C@H](O)COc1cccc2c1CCCC2	CC(C)NC[C@H](O)COc1cccc2c1CCCC2	mol24412	CC(C)NCC(O)COc1cccc2c1CCCC2