pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.41	Datawarrior	1	0	COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H]([C@@H]2O)[NH+](C)CC[C@]314	COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H]([C@@H]2O)N(C)CC[C@]314	mol15054	COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H]([C@@H]2O)N(C)CC[C@]314