smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(/C=C\c2ccc3ccccc3n2)cc1O ZINC000498284293 331447638 /nfs/dbraw/zinc/44/76/38/331447638.db2.gz DZCZWCIPIAFKAQ-YVMONPNESA-N 0 2 292.294 4.019 20 5 CIBDLN O=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3s2)cc1O ZINC000303039161 332901279 /nfs/dbraw/zinc/90/12/79/332901279.db2.gz POCCGLHHGSEMSF-SOFGYWHQSA-N 0 2 298.323 4.081 20 5 CIBDLN