smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)C1=C1C(=O)[N-]C(=O)NC1=O ZINC000005943922 483416799 /nfs/dbraw/zinc/41/67/99/483416799.db2.gz VTKGKFWROYATJO-UHFFFAOYSA-N -2 0 352.665 -0.481 40 10 FBCBRL O=C([O-])C[C@@H](C(=O)[O-])[C@H]1c2c(O)c(O)c(O)cc2C(=O)O[C@@H]1C(=O)[O-] ZINC000013385490 484791369 /nfs/dbraw/zinc/79/13/69/484791369.db2.gz COZMWVAACFYLBI-HSCCNWRBSA-N -3 0 356.239 -0.314 40 10 biogenic,in-man FBCBRL O=C([O-])C[C@@H](C(=O)[O-])[C@@H]1c2c(O)c(O)c(O)cc2C(=O)O[C@@H]1C(=O)[O-] ZINC000013385491 484792124 /nfs/dbraw/zinc/79/21/24/484792124.db2.gz COZMWVAACFYLBI-ZGFONDPWSA-N -3 0 356.239 -0.314 40 10 biogenic,in-man FBCBRL