pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.46	Datawarrior	1	0	C[NH+](C)[C@H]1CC[C@@H](C)CC1	CN(C)[C@H]1CC[C@@H](C)CC1	mol13017	CN(C)[C@H]1CC[C@@H](C)CC1
10.460000038147	QSARToolbox	1	0	C[NH+](C)[C@H]1CC[C@@H](C)CC1	CN(C)[C@H]1CC[C@@H](C)CC1	mol13017	CN(C)[C@H]1CC[C@@H](C)CC1