Downloads

Click the file name to download a dataset.

File name	File content	File size
CMNPD_1.0_2d.sdf.gz	2D structures of all compounds	~11MB
CMNPD_1.0_3d.sdf.gz	3D conformers of the compounds that meet the criteria	~39MB
CMNPD_1.0_calc_prop.tsv	Calculated properties	~14MB
CMNPD_1.0_act_br.tsv	Biological activity data in brief	~1MB
CMNPD_1.0_act_std.tsv	Standardized experimental data	~10MB