smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008829536 562964637 /nfs/dbraw/zinc/96/46/37/562964637.db2.gz NZBQAZCTVZNKPL-LJQANCHMSA-N -1 0 439.424 3.397 20 5 IGBDRM CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008829537 562964654 /nfs/dbraw/zinc/96/46/54/562964654.db2.gz NZBQAZCTVZNKPL-IBGZPJMESA-N -1 0 439.424 3.397 20 5 IGBDRM