pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47	Baltruschat ChEMBL	1	0	c1cc(NCCCNCc2ccc3c(c2)OCO3)c2ccc(Cc3ccc4c(c3)OCO4)cc2[nH+]1,c1cc([NH2+]CCCNCc2ccc3c(c2)OCO3)c2ccc(Cc3ccc4c(c3)OCO4)cc2n1,c1cc(NCCC[NH2+]Cc2ccc3c(c2)OCO3)c2ccc(Cc3ccc4c(c3)OCO4)cc2n1	c1cc(NCCCNCc2ccc3c(c2)OCO3)c2ccc(Cc3ccc4c(c3)OCO4)cc2n1	mol16878	c1cc(NCCCNCc2ccc3c(c2)OCO3)c2ccc(Cc3ccc4c(c3)OCO4)cc2n1