smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1CO ZINC000504276125 534134776 /nfs/dbraw/zinc/13/47/76/534134776.db2.gz GZKQMBNNNFCACH-SCRDCRAPSA-N 0 2 392.368 -2.127 10 5 GABELN