smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO[P@](=O)([O-])O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299872223 572140726 /nfs/dbraw/zinc/14/07/26/572140726.db2.gz NBXGKBASYKEBOZ-OPXVNJCFSA-N 0 2 742.684 -2.104 10 5 KABELN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO[P@@](=O)([O-])O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299872223 572140723 /nfs/dbraw/zinc/14/07/23/572140723.db2.gz NBXGKBASYKEBOZ-OPXVNJCFSA-N 0 2 742.684 -2.104 10 5 KABELN