smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Cl)ccc1Sc1n[n-]c(C(F)(F)F)n1 ZINC000078406550 1019500193 /nfs/dbraw/zinc/50/01/93/1019500193.db2.gz MGZHMLVRSTYNOO-UHFFFAOYSA-N -1 1 324.671 3.536 40 5 DHBBMM O=[N+]([O-])c1ccc(Sc2n[n-]c(C(F)(F)F)n2)c(Cl)c1 ZINC000078406586 563927974 /nfs/dbraw/zinc/92/79/74/563927974.db2.gz VLLYVSWHRZZLGH-UHFFFAOYSA-N -1 1 324.671 3.536 40 5 DHBBMM CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000408544443 257230143 /nfs/dbraw/zinc/23/01/43/257230143.db2.gz TWULIPIRBLPHQB-SNAWJCMRSA-N -1 1 324.720 3.819 40 5 DHBBMM O=[N+]([O-])c1cccc(Cl)c1Sc1n[n-]c(C(F)(F)F)n1 ZINC000078406531 563927888 /nfs/dbraw/zinc/92/78/88/563927888.db2.gz SQBAMEXKODMLNO-UHFFFAOYSA-N -1 1 324.671 3.536 40 5 DHBBMM