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That augmentation cannister is actually unique. If you didn't use it, you won't find another one with those two augs. Or at least I never have.

You generally cannot store items at UNATCO headquarters because each time you return there, it's actually a different map. Shifter allows you to, but I don't know if that particular tweak was carried over to any of the patch efforts.
I think it would be best to just play the game through for the first time without thinking or asking about it too much. Makes the second time much more fun, when you know what things to pick to accomplish something you couldn't do first time around.