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-])c1cccc(COc2ccc3[nH]c(SCC(=O)c4ccc([O-])c(O)c4)nc3c2)c1 ZINC000013782383 562992536 /nfs/dbraw/zinc/99/25/36/562992536.db2.gz WSMHUXDLXGUDEF-UHFFFAOYSA-N -2 1 450.472 4.226 1 10 JICFML [O-]c1c(O)cc(Cc2c(O)cc(O)c(Br)c2[O-])c(Br)c1Br ZINC000014829006 563006453 /nfs/dbraw/zinc/00/64/53/563006453.db2.gz ILWIINNNOSHNIH-UHFFFAOYSA-N -2 1 484.922 4.093 1 10 JICFML