Musk v2

The Musk2 dataset is a set of 102 molecules of which 39 are judged by human experts to be musks and the remaining 63 molecules are judged to be non-musks. Each instance corresponds to a possible configuration of a molecule. The 166 features that describe these molecules depend upon the exact shape, or conformation, of the molecule.

Source: Confidence-Constrained Maximum Entropy Framework for Learning from Multi-Instance Data