smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](c1ccc(O)cc1)N1C[C@H](NC(=O)/C(=N/O)c2ccc(O)cc2)C1=O ZINC000014614223 560223143 /nfs/dbraw/zinc/22/31/43/560223143.db2.gz NMMOYDKOFASOBV-GCMUKRPSSA-N -1 2 399.359 0.429 10 30 in-vitro GCEELM O=C([O-])[C@H](c1ccc(O)cc1)N1C[C@H](NC(=O)/C(=N\O)c2ccc(O)cc2)C1=O ZINC000100395897 526317091 /nfs/dbraw/zinc/31/70/91/526317091.db2.gz NMMOYDKOFASOBV-AHQJNRKOSA-N -1 2 399.359 0.429 10 30 in-vitro GCEELM O=C([O-])[C@@H](c1ccc(O)cc1)N1C[C@H](NC(=O)/C(=N\O)c2ccc(O)cc2)C1=O ZINC000013519451 560218393 /nfs/dbraw/zinc/21/83/93/560218393.db2.gz NMMOYDKOFASOBV-HKHZIIAMSA-N -1 2 399.359 0.429 10 30 in-vitro GCEELM