smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1c2ccccc2nc2c1ccc1ncccc12 ZINC000003826528 187247068 /nfs/dbraw/zinc/24/70/68/187247068.db2.gz RHRDMKUIKRPSNC-UHFFFAOYSA-N 0 1 245.285 3.518 1 10 BHCFMN