smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1csc2ccccc12 2036729 351301986 /nfs/dbraw/zinc/30/19/86/351301986.db2.gz XHQBIYCRFVVHFD-UHFFFAOYSA-N 0 2 150.202 2.607 40 10 AFCBLN