smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])c(C=O)c(OC)c1O ZINC000036057301 175017485 /nfs/dbraw/zinc/01/74/85/175017485.db2.gz IPOVDEOBKKXWSF-UHFFFAOYSA-N 0 2 227.172 1.130 30 5 BDBCLN