smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)NN)ccc1N ZINC000003267931 805479205 /nfs/dbraw/zinc/47/92/05/805479205.db2.gz SDHLADMHTWTQFQ-UHFFFAOYSA-N 0 0 378.454 1.486 50 50 GDGARN