smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCC[NH+](C)C)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 ZINC000100088802 562806740 /nfs/dbraw/zinc/80/67/40/562806740.db2.gz ASCSVRAUWKNNCO-UHFFFAOYSA-N 2 0 560.654 3.866 10 5 KHBERP