pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Baltruschat ChEMBL	1	0	c1cc2c(cc1C[NH+]1C[C@H]3C[C@@H](C1)O3)OCO2	c1cc2c(cc1CN1C[C@H]3C[C@@H](C1)O3)OCO2	mol20815	c1cc2c(cc1CN1CC3CC(C1)O3)OCO2