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(Sc2nc[nH]n2)c([O-])c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000038488520 563134886 /nfs/dbraw/zinc/13/48/86/563134886.db2.gz RQHQZLZCASMJHR-UHFFFAOYSA-N -2 0 466.466 4.634 1 10 JJCFRL O=c1cc(-c2ccccc2Cl)oc2c([N-]S(=O)(=O)c3cccc4nsnc43)ccc([O-])c12 ZINC000013661149 562982262 /nfs/dbraw/zinc/98/22/62/562982262.db2.gz IMOFNLIYQXJCPT-UHFFFAOYSA-N -2 0 485.930 4.625 3 10 JJCFRL CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000040935546 563157725 /nfs/dbraw/zinc/15/77/25/563157725.db2.gz DECFAWZERNPQOF-BOPFTXTBSA-N -2 0 450.834 4.803 1 10 JJCFRL