smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=S ZINC000005999703 181304658 /nfs/dbraw/zinc/30/46/58/181304658.db2.gz GRABTKNZWLFKCU-UHFFFAOYSA-N 0 2 316.769 5.126 40 5 DKBBLN