smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]cn2)cc1Cl ZINC000026177552 202140322 /nfs/dbraw/zinc/14/03/22/202140322.db2.gz GEQYCWZSWQGYMI-UHFFFAOYSA-N -1 3 330.753 1.492 1 5 EDBFHM Cc1nc2ccccc2c2ccc(C[C@H](NC(=O)CN)C(=O)[O-])cc12 ZINC000049808480 214034632 /nfs/dbraw/zinc/03/46/32/214034632.db2.gz DWNIWEVVODTABG-KRWDZBQOSA-N -1 3 337.379 1.767 1 5 EDBFHM COC(=O)[C@@]([O-])(Cc1nc2sccn2c1[N+](=O)[O-])C(F)(F)F ZINC000049067159 213982822 /nfs/dbraw/zinc/98/28/22/213982822.db2.gz MUMYJIWRGRXXPX-VIFPVBQESA-N -1 3 339.251 1.313 1 5 EDBFHM