pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.31	Datawarrior	1	0	CC(C)[NH+]1[C@@H]2CCC[C@@H]21	CC(C)N1[C@@H]2CCC[C@@H]21	mol13534	CC(C)N1C2CCCC21
8.3100004	OCHEM	1	0	CC(C)[NH+]1[C@@H]2CCC[C@@H]21	CC(C)N1[C@@H]2CCC[C@@H]21	mol13534	CC(C)N1C2CCCC21
8.3100004196167	QSARToolbox	1	0	CC(C)[NH+]1[C@@H]2CCC[C@@H]21	CC(C)N1[C@@H]2CCC[C@@H]21	mol13534	CC(C)N1C2CCCC21