smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])CC2c3ccccc3C1c1ccccc12 ZINC000005530943 581094606 /nfs/dbraw/zinc/09/46/06/581094606.db2.gz RWELAKLWFPYJLK-HTIOENIKSA-N -1 0 400.434 4.926 1 5 in-vitro HJBFRM C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])CC2c3ccccc3C1c1ccccc12 ZINC000005534777 581094589 /nfs/dbraw/zinc/09/45/89/581094589.db2.gz RWELAKLWFPYJLK-MXJXRJBTSA-N -1 0 400.434 4.926 1 5 in-vitro HJBFRM