smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCC(C)(C)c2c(Cl)c([O-])c(C(=O)Nc3cc(F)c(C(=O)[O-])c(F)c3)cc21 ZINC000001909562 562925391 /nfs/dbraw/zinc/92/53/91/562925391.db2.gz PNAWUIKCVQSLFG-UHFFFAOYSA-N -2 0 437.870 5.623 30 0 investigational IKACRL