Click the file name to download a dataset.
File name
File content
File size
CMNPD_1.0_2d.sdf.gzarrow-up-right
2D structures of all compounds
~11MB
CMNPD_1.0_3d.sdf.gzarrow-up-right
3D conformers of the compounds that meet the criteriaarrow-up-right
~39MB
CMNPD_1.0_calc_prop.tsvarrow-up-right
Calculated properties
~14MB
CMNPD_1.0_act_br.tsvarrow-up-right
Biological activity data in brief
~1MB
CMNPD_1.0_act_std.tsvarrow-up-right
Standardized experimental data
~10MB
Last updated 5 years ago
