pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Baltruschat ChEMBL	2	1	C[NH2+]Cc1c[nH+]c(C)cc1Oc1ccccc1Oc1ccccc1	CNCc1c[nH+]c(C)cc1Oc1ccccc1Oc1ccccc1,C[NH2+]Cc1cnc(C)cc1Oc1ccccc1Oc1ccccc1	mol16125	CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1