pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	IUPAC digitized pKa	2	1	C[NH+]1CCC[C@@H](c2ccc[nH+]c2)O1	CN1CCC[C@@H](c2ccc[nH+]c2)O1,C[NH+]1CCC[C@@H](c2cccnc2)O1	mol3956	CN1CCCC(c2cccnc2)O1