pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.93	Baltruschat ChEMBL	2	1	Cc1c[nH]c(Cc2ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc2)[nH+]1	Cc1c[nH]c(Cc2ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc2)n1,Cc1c[nH]c(Cc2ccc(OC[C@H](O)CNC(C)(C)C)cc2)[nH+]1	mol19895	Cc1c[nH]c(Cc2ccc(OCC(O)CNC(C)(C)C)cc2)n1