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(=O)C=C(O)c1ccc(Cc2ccccc2)s1 ZINC000005974618 170164863 /nfs/dbraw/zinc/16/48/63/170164863.db2.gz MGLBIDLNQICQHL-XFXZXTDPSA-N -1 2 288.324 2.892 1 30 CFEFLM O=C([O-])C(=O)C=C(O)c1ccsc1Cc1ccccc1 ZINC000005974604 170164990 /nfs/dbraw/zinc/16/49/90/170164990.db2.gz DBIANNLPDPYNQD-XFXZXTDPSA-N -1 2 288.324 2.892 1 30 CFEFLM O=C([O-])C(=O)C=C(O)c1cccc(Cc2ccccc2)c1 ZINC000003943413 581102275 /nfs/dbraw/zinc/10/22/75/581102275.db2.gz QGCIARGIIYMTGU-PTNGSMBKSA-N -1 2 282.295 2.830 1 30 CFEFLM O=C([O-])C(=O)C=C(O)c1cccc(OCc2ccccc2)c1 ZINC000100870183 581102292 /nfs/dbraw/zinc/10/22/92/581102292.db2.gz NJGMBFCAJFNIBI-GDNBJRDFSA-N -1 2 298.294 2.818 1 30 CFEFLM