pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.17	OCHEM	1	0	O[C@H]1CC[C@H](Cl)C[C@@H]1C(=[OH+])NC1CCCCC1	O=C(NC1CCCCC1)[C@H]1C[C@@H](Cl)CC[C@@H]1O	mol33417	O=C(NC1CCCCC1)C1CC(Cl)CCC1O