pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1300001	OCHEM	1	0	C[C@@H]1C[C@]23[C@H]4CCC[NH+]2CCC[C@H]3[C@@H](C[C@H]4O)C1=O	C[C@@H]1C[C@]23[C@H]4CCCN2CCC[C@H]3[C@@H](C[C@H]4O)C1=O	mol32650	CC1CC23C4CCCN2CCCC3C(CC4O)C1=O