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+](N[C@@H]1C=Cc2ccccc21)[C@@H]1C=Cc2ccccc21 ZINC000038142974 174134502 /nfs/dbraw/zinc/13/45/02/174134502.db2.gz RUODKEDNBNKNNX-UELNFNFASA-N 1 3 274.323 4.485 1 10 CICFHO O=[N+](N[C@@H]1C=Cc2ccccc21)[C@H]1C=Cc2ccccc21 ZINC000038142976 174134425 /nfs/dbraw/zinc/13/44/25/174134425.db2.gz RUODKEDNBNKNNX-XNYADMQMSA-N 1 3 274.323 4.485 1 10 CICFHO O=[N+](N[C@H]1C=Cc2ccccc21)[C@H]1C=Cc2ccccc21 ZINC000038142975 174134622 /nfs/dbraw/zinc/13/46/22/174134622.db2.gz RUODKEDNBNKNNX-IMNNQKJOSA-N 1 3 274.323 4.485 1 10 CICFHO