smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1csc2ccccc12 2036729 351301979 /nfs/dbraw/zinc/30/19/79/351301979.db2.gz XHQBIYCRFVVHFD-UHFFFAOYSA-N -1 0 150.202 2.607 40 10 AFCBRM