pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.42	Datawarrior	2	1	C[NH+]1CCCC[C@H]1c1ccc[nH+]c1	C[NH+]1CCCC[C@H]1c1cccnc1	mol13748	CN1CCCCC1c1cccnc1
5.4200001	OCHEM	2	1	C[NH+]1CCCC[C@H]1c1ccc[nH+]c1	C[NH+]1CCCC[C@H]1c1cccnc1	mol13748	CN1CCCCC1c1cccnc1