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=C/c1c(Cl)ccc([O-])c1Cl ZINC000307033984 351430815 /nfs/dbraw/zinc/43/08/15/351430815.db2.gz UJPIPLNMHOMVOZ-DAFODLJHSA-N -2 1 233.050 2.797 10 0 BFAEML O=C([O-])c1ccnc(-c2cc(Cl)ccc2[O-])c1 ZINC000118819634 343089397 /nfs/dbraw/zinc/08/93/97/343089397.db2.gz SBCUKPPNRMWMFU-UHFFFAOYSA-N -2 1 249.653 2.806 10 0 BFAEML O=C([O-])C1(c2ccc(Cl)c([O-])c2)CCCC1 ZINC000217080024 343249947 /nfs/dbraw/zinc/24/99/47/343249947.db2.gz MHRHLCIORZWLHS-UHFFFAOYSA-N -2 1 240.686 2.942 10 0 BFAEML CC(C)(C)c1ccc(C[P@](=O)([O-])O)cc1 ZINC000032599763 345762644 /nfs/dbraw/zinc/76/26/44/345762644.db2.gz VBWLIUWQKLTQKM-UHFFFAOYSA-N -2 1 228.228 2.662 10 0 BFAEML O=C([O-])c1cccc(-c2cc(Cl)ccc2[O-])n1 ZINC000118824289 343114277 /nfs/dbraw/zinc/11/42/77/343114277.db2.gz IRVUPFHZGHFIJJ-UHFFFAOYSA-N -2 1 249.653 2.806 10 0 BFAEML