smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nccc1-c1cc(Br)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095583193 562772832 /nfs/dbraw/zinc/77/28/32/562772832.db2.gz PRPIINSRDSEJGY-UHFFFAOYSA-N 0 2 516.402 4.771 10 30 KJEELN CCOc1ccc(Oc2cc(NC(=O)CSc3nc(-c4ccco4)c(C#N)c(=O)[nH]3)cc([N+](=O)[O-])c2)cc1 ZINC000103534336 555434417 /nfs/dbraw/zinc/43/44/17/555434417.db2.gz UOYVTZIBVJCDEZ-UHFFFAOYSA-N 0 2 533.522 4.732 10 30 KJEELN