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(Cl)c([O-])cc1Cl)c1cccs1 ZINC001250916174 1036371078 /nfs/dbraw/zinc/37/10/78/1036371078.db2.gz RRQKKWJKLCRFIW-UHFFFAOYSA-N -2 0 324.210 3.561 20 10 DHCDRL O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1ccsc1 ZINC000714385328 1032595302 /nfs/dbraw/zinc/59/53/02/1032595302.db2.gz QXAIZAYYEOMSLN-UHFFFAOYSA-N -2 0 324.210 3.561 20 10 DHCDRL O=S(=O)(Nc1ccc(O)cc1F)c1cc2ccccc2s1 ZINC001185454682 1037147715 /nfs/dbraw/zinc/14/77/15/1037147715.db2.gz SCMZSYOVVBGGFZ-UHFFFAOYSA-N -2 0 323.370 3.547 20 10 DHCDRL O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1cccs1 ZINC000130171405 1024138934 /nfs/dbraw/zinc/13/89/34/1024138934.db2.gz ZXODJVJXSMFEHB-UHFFFAOYSA-N -2 0 324.210 3.561 20 10 DHCDRL