pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.31	Datawarrior	1	0	COc1ccc2c(c1OC(C)=O)[C@]13CC[NH+](C)[C@H](C2)[C@@H]1CC[C@H](OC)C3	COc1ccc2c(c1OC(C)=O)[C@]13CCN(C)[C@H](C2)[C@@H]1CC[C@H](OC)C3	mol15011	COc1ccc2c(c1OC(C)=O)[C@]13CCN(C)[C@H](C2)[C@@H]1CC[C@H](OC)C3