pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.28	Baltruschat ChEMBL	1	0	COc1ccccc1Oc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)cc[nH+]c2c1,COc1ccccc1Oc1ccc2c(NCCC[NH2+]Cc3ccc4c(c3)OCO4)ccnc2c1,COc1ccccc1Oc1ccc2c([NH2+]CCCNCc3ccc4c(c3)OCO4)ccnc2c1	COc1ccccc1Oc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1	mol16856	COc1ccccc1Oc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1