smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1 ZINC001252635438 1072309672 /nfs/dbraw/zinc/30/96/72/1072309672.db2.gz NWHFYMIGJCAHNN-XLPZGREQSA-N -2 2 409.317 -1.045 20 0 HAADLL