Define Tested Substances
When reporting bioactivity results, you will likely have one intial column containing an identifier for the substance that you are testing. That is a good start, but we need your substance identifier to refer to an actual substance record in PubChem, typically one that you have uploaded. If your tested substances are chemicals, you might have the structure for them (e.g. a SMILES string) and perhaps a common name for the molecules. If your substances are siRNAs, for example, you might have a Gene identifier for each.
First create a substance submission as you must have a unique identifier for each tested substance. Typically, the easiest way to do this is to extract a couple of relevant columns from your bioactivity spreadsheet and create a second substance spreadsheet containing only data defining the molecules, not the test results.
Make Expert Judgment Inactive/Active For Each Result
After the column with your unique substance identifiers, you must create a second column with a summarized, expert determination of whether the tests you performed for that substance were inactive (1) or active (2) using those numerical codes. This can be defined however you think is appropriate, but please clearly state in the Comments section of the assay description exactly how you made this judgment call.
Create Active Concentration Column
In many assay experiments there will be a single numerical data point for the response measured from the test, such as an AC50, IC50. This is often the data on which the inactive/active outcome determination is made.