smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(S(=O)(=O)F)cc1C)CC2 ZINC001164664631 719356065 /nfs/dbraw/zinc/35/60/65/719356065.db2.gz PYBVRJRROHZQEH-UHFFFAOYSA-N 0 0 469.586 3.743 20 70 JHIDRN