smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cc(Sc2nnn[n-]2)c(O)c2ccccc12)c1ccc(Cl)s1 ZINC000084758022 563179543 /nfs/dbraw/zinc/17/95/43/563179543.db2.gz LHCVLEPEBGSBIM-UHFFFAOYSA-N -2 1 439.931 3.725 1 10 IHCFML O=S(=O)([N-]c1cc(Sc2nn[n-]n2)c(O)c2ccccc12)c1ccc(Cl)s1 ZINC000084758022 563179545 /nfs/dbraw/zinc/17/95/45/563179545.db2.gz LHCVLEPEBGSBIM-UHFFFAOYSA-N -2 1 439.931 3.725 1 10 IHCFML