smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCCCn1c(=O)c2sccc2nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000002925624 562930664 /nfs/dbraw/zinc/93/06/64/562930664.db2.gz IXLKDVXAFJSTNQ-UHFFFAOYSA-N -2 1 448.522 3.489 3 10 IGCFML COc1cc2c(cc(C(=O)[O-])nc2C(=O)c2ccc(O)c(O)c2)c(Br)c1[O-] ZINC000013470142 562987701 /nfs/dbraw/zinc/98/77/01/562987701.db2.gz GUWSZCONKNJQQX-UHFFFAOYSA-N -2 1 434.198 3.052 1 10 IGCFML