smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncccc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160831489 527367031 /nfs/dbraw/zinc/36/70/31/527367031.db2.gz IVPUINSLGXNGSF-UHFFFAOYSA-N 0 2 307.762 2.716 10 70 DFIELN