smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc2c3ccccc3c3nc[nH]c3c12 ZINC000013219290 175306565 /nfs/dbraw/zinc/30/65/65/175306565.db2.gz DIZVLGVGMAUZHV-UHFFFAOYSA-N 0 1 248.285 3.878 1 5 BHBFMN