CAS COVID-19 Dataset Properties

Data Included in the CAS COVID-19 Antiviral Candidate Compounds Dataset

The dataset is in SD file format (.sdf) and contains connection tables for nearly 50,000 chemical substances, along with related metadata such as CAS Registry Number^®and physical properties for each substance.

Data	Description
CAS Registry Number^®	Assigned to a substance when it enters the CAS REGISTRY database.
Molecular Weight	Experimental and predicted. Calculated by ACD software.
Melting Point	°C. Contains both experimental and predicted values, with a preference for experimental.
Boiling Point	°C. Contains both experimental and predicted values, with a preference for experimental.
Density	g/cm³
pK_a	-log₁₀K_a. Predicted, including most acidic temperature.

COVID-19 Dataset Download page

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