smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC(C)(C)c1cc([O-])c2c(c1)oc(=O)c1ccc([O-])cc12 ZINC000001550867 204012071 /nfs/dbraw/zinc/01/20/71/204012071.db2.gz BWKBVEVEQOCSCF-UHFFFAOYSA-N -2 3 354.446 5.605 1 5 in-vivo FKBFHL