pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	Datawarrior	1	0	COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@H]([NH2+]CC[C@]314)[C@@H]2O	COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@H](NCC[C@]314)[C@@H]2O	mol15411	COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@H](NCC[C@]314)[C@@H]2O