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-])c1cccc(COc2cccc(C=Nn3c(=S)[n-]nc3[C@H]3COc4ccccc4O3)c2)c1 ZINC001318308628 1067010590 /nfs/dbraw/zinc/01/05/90/1067010590.db2.gz RSSHJDYKQJMEME-JOCHJYFZSA-N -2 3 488.525 4.239 20 30 JIEDHL O=C([O-])c1cccc(COc2cccc(C=Nn3c(=S)[n-]nc3[C@@H]3COc4ccccc4O3)c2)c1 ZINC001318308629 1067010777 /nfs/dbraw/zinc/01/07/77/1067010777.db2.gz RSSHJDYKQJMEME-QFIPXVFZSA-N -2 3 488.525 4.239 20 30 JIEDHL