smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000408939057 526922241 /nfs/dbraw/zinc/92/22/41/526922241.db2.gz LPGWBMQKXNZTQV-FOWTUZBSSA-N -1 2 392.367 2.616 40 30 GFEBLM N#Cc1c(=O)[n-]c(=O)[nH]c1-c1cc(Br)cc(Br)c1O ZINC000408720734 534764833 /nfs/dbraw/zinc/76/48/33/534764833.db2.gz XSMMMOVRPUAFCK-UHFFFAOYSA-N -1 2 386.987 2.657 40 30 GFEBLM C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408942955 526834323 /nfs/dbraw/zinc/83/43/23/526834323.db2.gz RGTSYLNLWIUYJZ-SFQUDFHCSA-N -1 2 392.367 2.616 40 30 GFEBLM Cc1nnc(S)n(/N=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)c1=O ZINC000408815133 231117758 /nfs/dbraw/zinc/11/77/58/231117758.db2.gz UMJVSIITECABML-CNHKJKLMSA-N -1 2 390.808 2.729 40 30 GFEBLM