smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)CNC(=O)C(C#N)=N[N-]c1nc[n-]c1C(=O)OCC ZINC000252609519 379999044 /nfs/dbraw/zinc/99/90/44/379999044.db2.gz HTUWSVNNEAVVGP-UHFFFAOYSA-N -2 3 336.308 -0.443 50 30 EBEAHL