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-])CN1C(=O)C(=O)N[C@@H]2C[C@H]([N+](=O)[O-])[C@H](n3cc[nH+]c3)C[C@H]21 ZINC000038410770 685124035 /nfs/dbraw/zinc/12/40/35/685124035.db2.gz YAAOCIXKQGHUFZ-KYXWUPHJSA-N 0 2 337.292 -1.357 10 5 EABELN O=C([O-])CN1C(=O)C(=O)N[C@@H]2C[C@H]([N+](=O)[O-])[C@@H](n3cc[nH+]c3)C[C@H]21 ZINC000038410771 685123999 /nfs/dbraw/zinc/12/39/99/685123999.db2.gz YAAOCIXKQGHUFZ-IMSYWVGJSA-N 0 2 337.292 -1.357 10 5 EABELN O=C([O-])CN1C(=O)C(=O)N[C@@H]2C[C@H]([N+](=O)[O-])[C@H](n3cc[nH+]c3)C[C@@H]21 ZINC000038410772 685642926 /nfs/dbraw/zinc/64/29/26/685642926.db2.gz YAAOCIXKQGHUFZ-RGOKHQFPSA-N 0 2 337.292 -1.357 10 5 EABELN O=C([O-])CN1C(=O)C(=O)N[C@@H]2C[C@H]([N+](=O)[O-])[C@@H](n3cc[nH+]c3)C[C@@H]21 ZINC000038410773 685642882 /nfs/dbraw/zinc/64/28/82/685642882.db2.gz YAAOCIXKQGHUFZ-KATARQTJSA-N 0 2 337.292 -1.357 10 5 EABELN