pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Baltruschat ChEMBL	2	1	Cc1cc(Oc2ccccc2Oc2ccccc2)c(C[NH+](C)C)c[nH+]1	Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)c[nH+]1,Cc1cc(Oc2ccccc2Oc2ccccc2)c(C[NH+](C)C)cn1	mol16124	Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1