smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc2cc(Cl)ccc2c2c1cccc2C(F)(F)F ZINC000584590563 337370484 /nfs/dbraw/zinc/37/04/84/337370484.db2.gz DXHHJLBJMLHLNO-UHFFFAOYSA-N -1 0 324.685 5.363 10 5 DKBERM O=C([O-])c1cc2cc(C(F)(F)F)ccc2c2ccc(Cl)cc12 ZINC000584590583 337370398 /nfs/dbraw/zinc/37/03/98/337370398.db2.gz FLUPWIAOLPTFFP-UHFFFAOYSA-N -1 0 324.685 5.363 10 5 DKBERM O=C([O-])c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 ZINC000584590600 337370487 /nfs/dbraw/zinc/37/04/87/337370487.db2.gz GBCYTSCFZAKQOC-UHFFFAOYSA-N -1 0 324.685 5.363 10 5 DKBERM CSc1ccc2c(c1)cc(C(=O)[O-])c1ccc(SC)cc21 ZINC000584590654 337369242 /nfs/dbraw/zinc/36/92/42/337369242.db2.gz KQGZBVVVSMKSST-UHFFFAOYSA-N -1 0 314.431 5.135 10 5 DKBERM O=C([O-])c1cc2cccc(C(F)(F)F)c2c2ccc(Cl)cc12 ZINC000584590724 337373367 /nfs/dbraw/zinc/37/33/67/337373367.db2.gz NMYSRHOPNDYXSC-UHFFFAOYSA-N -1 0 324.685 5.363 10 5 DKBERM Cc1cc(C)c2cc(C(=O)[O-])c3ccc(C(F)(F)F)cc3c2c1 ZINC000584590755 337373319 /nfs/dbraw/zinc/37/33/19/337373319.db2.gz RTRJHXGNKOEXLP-UHFFFAOYSA-N -1 0 318.294 5.327 10 5 DKBERM O=C([O-])c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000584590814 337373413 /nfs/dbraw/zinc/37/34/13/337373413.db2.gz WMPGVIMMYWAPOY-UHFFFAOYSA-N -1 0 324.685 5.363 10 5 DKBERM CC(C)(C)c1cc(C(=O)[O-])c2cc(Cl)c3ccccc3c2n1 ZINC000584597622 337374447 /nfs/dbraw/zinc/37/44/47/337374447.db2.gz KLSQYGPCEFQGEJ-UHFFFAOYSA-N -1 0 313.784 5.037 10 5 DKBERM