pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.66	Datawarrior	1	0	CC1(C)N=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)[NH+]1O,CC1(C)[NH+]=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)N1O	CC1(C)[NH+]=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)N1[O-],CC1(C)N=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)N1O	mol15579	CC1(C)N=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)N1O
4.6599998	OCHEM	1	0	CC1(C)N=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)[NH+]1O,CC1(C)[NH+]=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)N1O	CC1(C)[NH+]=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)N1[O-],CC1(C)N=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)N1O	mol15579	CC1(C)N=C(C(=O)CC(=O)C(F)(F)F)C(C)(C)N1O