smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100500815 717143343 /nfs/dbraw/zinc/14/33/43/717143343.db2.gz MLRJUXQTOGJYLD-AZUAARDMSA-O 0 0 391.016 5.619 40 50 GKGBRN CCCCCCCCCCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100500816 717143316 /nfs/dbraw/zinc/14/33/16/717143316.db2.gz MLRJUXQTOGJYLD-QUCCMNQESA-O 0 0 391.016 5.619 40 50 GKGBRN CCCCCCCCCCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100500818 717143347 /nfs/dbraw/zinc/14/33/47/717143347.db2.gz MLRJUXQTOGJYLD-ICSRJNTNSA-O 0 0 391.016 5.619 40 50 GKGBRN CCCCCCCCCCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100500813 717143286 /nfs/dbraw/zinc/14/32/86/717143286.db2.gz MLRJUXQTOGJYLD-UYAOXDASSA-O 0 0 391.016 5.619 40 50 GKGBRN