pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Baltruschat ChEMBL	1	0	CC(C)Oc1cc(OCCN2CCOCC2)cc2[nH+]cnc(Nc3c(Cl)ccc4c3OCO4)c12,CC(C)Oc1cc(OCC[NH+]2CCOCC2)cc2ncnc(Nc3c(Cl)ccc4c3OCO4)c12	CC(C)Oc1cc(OCCN2CCOCC2)cc2ncnc(Nc3c(Cl)ccc4c3OCO4)c12	mol18971	CC(C)Oc1cc(OCCN2CCOCC2)cc2ncnc(Nc3c(Cl)ccc4c3OCO4)c12