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-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000000828901 206225243 /nfs/dbraw/zinc/22/52/43/206225243.db2.gz TVDZSXSXDBUPMR-UHFFFAOYSA-N -2 0 352.626 4.153 40 10 FICBRL O=C([O-])Cc1ccc(NN=C2C(=O)C(C(=O)[O-])=Cc3ccccc32)cc1 ZINC000005124957 207082028 /nfs/dbraw/zinc/08/20/28/207082028.db2.gz UNQQNQMZKMGLBJ-QZQOTICOSA-N -2 0 350.330 4.286 40 10 FICBRL Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccccc1C(=O)[O-] ZINC000408531776 570513444 /nfs/dbraw/zinc/51/34/44/570513444.db2.gz LODLCTKBKPUUHP-GDNBJRDFSA-N -2 0 369.808 4.065 40 10 FICBRL O=C([O-])Cc1ccc(NN=C2C(=O)C(C(=O)[O-])=Cc3ccccc32)cc1 ZINC000016979450 570864489 /nfs/dbraw/zinc/86/44/89/570864489.db2.gz UNQQNQMZKMGLBJ-MRCUWXFGSA-N -2 0 350.330 4.286 40 10 FICBRL