smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc2c1ccc1c3occ(C)c3/c(=N/[O-])oc12 ZINC000045355962 175361924 /nfs/dbraw/zinc/36/19/24/175361924.db2.gz SARXMTBOTGHSNG-HNENSFHCSA-N -1 3 293.322 4.493 1 5 CIBFHM