pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	Baltruschat ChEMBL	2	1	C[NH+](C)CCCN1C=[NH+]c2cccc3cccc1c23	C[NH+](C)CCCN1C=Nc2cccc3cccc1c23,CN(C)CCCN1C=[NH+]c2cccc3cccc1c23	mol17647	CN(C)CCCN1C=Nc2cccc3cccc1c23