smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1nc(C)c(CCC(=O)Oc2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000217775990 568203111 /nfs/dbraw/zinc/20/31/11/568203111.db2.gz IBBLLHAWFUPTSG-UHFFFAOYSA-N -1 1 373.261 3.645 20 70 FHIDMM