pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.09	Datawarrior	1	0	COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1C[NH+](C)CC2)OCO3	COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3	mol15595	COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3
8.0900002	OCHEM	1	0	COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1C[NH+](C)CC2)OCO3	COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3	mol15595	COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3