smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cc(=S)oc2c1ccc1ccccc12 ZINC000141686644 343098990 /nfs/dbraw/zinc/09/89/90/343098990.db2.gz KBFFYCKMFRGXSS-UHFFFAOYSA-N 0 2 228.272 4.021 10 5 BIBELN