pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	AttenGpKa training set	1	0	C[C@H](C[NH+]1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1	C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1	mol29998	C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1