smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[n-]c(Sc2c(C)c[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000005891906 170151110 /nfs/dbraw/zinc/15/11/10/170151110.db2.gz VIWVFWXUBXDKBK-UHFFFAOYSA-N -2 3 294.292 1.547 1 5 CDBFHL