smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(OC(=O)CCCCCCC(=O)NO)cc1 ZINC000142511871 401990623 /nfs/dbraw/zinc/99/06/23/401990623.db2.gz XDZAHHULFQIBFE-UHFFFAOYSA-N 0 0 323.345 2.225 30 30 in-man DEECRN