pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.32	Baltruschat ChEMBL	5	4	c1ccc(CCC2C[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]C2)[nH+]c1	c1ccc(CCC2C[NH2+]CCNCCC[NH2+]CC[NH2+]C2)[nH+]c1,c1ccc(CCC2CNCC[NH2+]CCC[NH2+]CC[NH2+]C2)[nH+]c1,c1ccc(CCC2C[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]C2)nc1	mol16560	c1ccc(CCC2CNCCNCCCNCCNC2)nc1