smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1cccc2nonc21 ZINC000162424707 728944771 /nfs/dbraw/zinc/94/47/71/728944771.db2.gz IZWAVNWLUBORAP-UHFFFAOYSA-N -1 0 359.407 2.950 20 10 FFCDRM O=C([O-])CCCN1C(=O)/C(=C\c2cnn(C3CCC3)c2)SC1=S ZINC000899342239 735477865 /nfs/dbraw/zinc/47/78/65/735477865.db2.gz SLPJGGJFKYHJQT-KPKJPENVSA-N -1 0 351.453 2.674 20 10 FFCDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C#N ZINC000074344853 728234394 /nfs/dbraw/zinc/23/43/94/728234394.db2.gz VVKXONXUWFKEAT-UHFFFAOYSA-N -1 0 356.451 2.719 20 10 FFCDRM COC[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC000263084324 729678743 /nfs/dbraw/zinc/67/87/43/729678743.db2.gz VAMVYIXOZLTAGC-HNNXBMFYSA-N -1 0 350.802 2.577 20 10 FFCDRM CCN1C(=O)/C(=C\c2cc(C(=O)[O-])c(OC)cc2OC)SC1=S ZINC000863175434 730753563 /nfs/dbraw/zinc/75/35/63/730753563.db2.gz FLGZNBJWPMAPSB-WUXMJOGZSA-N -1 0 353.421 2.623 20 10 FFCDRM O=C([O-])/C=C\c1ccc(N2CCO[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000871868088 731692266 /nfs/dbraw/zinc/69/22/66/731692266.db2.gz XLLCJDDPPCDDJD-QDOCKXBDSA-N -1 0 360.288 2.850 20 10 FFCDRM O=C(NC1CC1)[C@H]1CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000893953547 734777411 /nfs/dbraw/zinc/77/74/11/734777411.db2.gz DUJISDZCDZILOS-CYBMUJFWSA-N -1 0 357.223 2.537 20 10 FFCDRM O=C([N-]C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1)C(F)(F)F ZINC000894795687 734918333 /nfs/dbraw/zinc/91/83/33/734918333.db2.gz SNHUCOOQDRGECH-SECBINFHSA-N -1 0 352.303 2.561 20 10 FFCDRM O=C([O-])CN1C(=O)/C(=C\c2cc(Cl)ccc2[N+](=O)[O-])SC1=S ZINC000739899160 735061769 /nfs/dbraw/zinc/06/17/69/735061769.db2.gz FJMGMAIAFOMUSU-RUDMXATFSA-N -1 0 358.784 2.534 20 10 FFCDRM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000756362261 736325487 /nfs/dbraw/zinc/32/54/87/736325487.db2.gz KISWGIRBXSRCOO-LBPRGKRZSA-N -1 0 368.748 2.878 20 10 FFCDRM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000758773035 736519883 /nfs/dbraw/zinc/51/98/83/736519883.db2.gz GGNPLZQYVMOZCO-UHFFFAOYSA-N -1 0 369.782 2.747 20 10 FFCDRM CC(C)(C)n1ccc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1 ZINC000911360625 737194948 /nfs/dbraw/zinc/19/49/48/737194948.db2.gz WZLSDOJXSOSIBR-UHFFFAOYSA-N -1 0 365.817 2.724 20 10 FFCDRM COCc1csc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000911360627 737194966 /nfs/dbraw/zinc/19/49/66/737194966.db2.gz XBNPFOGTPNZFKO-UHFFFAOYSA-N -1 0 369.826 2.981 20 10 FFCDRM Cc1nn2cc(S(=O)(=O)[N-]c3ccc(O)cc3C)cnc2c1Cl ZINC000766317273 737218855 /nfs/dbraw/zinc/21/88/55/737218855.db2.gz JKWFASCLRKIETD-UHFFFAOYSA-N -1 0 352.803 2.506 20 10 FFCDRM O=[N+]([O-])c1cc(Cl)cc(CN2CCN(Cc3ccco3)CC2)c1[O-] ZINC000768214062 737406874 /nfs/dbraw/zinc/40/68/74/737406874.db2.gz HFNZUZOBTPKVMI-UHFFFAOYSA-N -1 0 351.790 2.865 20 10 FFCDRM CCOC(=O)[C@@H]1CSCCN1Cc1cccc(Br)c1[O-] ZINC000768231366 737407873 /nfs/dbraw/zinc/40/78/73/737407873.db2.gz WDVHEOBVKYSUHW-LBPRGKRZSA-N -1 0 360.273 2.635 20 10 FFCDRM Cc1cc(C([O-])=CS(C)(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000915362513 737626595 /nfs/dbraw/zinc/62/65/95/737626595.db2.gz ZPUCNKYKKRYVII-UHFFFAOYSA-N -1 0 357.378 2.923 20 10 FFCDRM CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c(O)c1 ZINC000915852575 737660319 /nfs/dbraw/zinc/66/03/19/737660319.db2.gz XXSINCHUFFYGLM-MDWZMJQESA-N -1 0 367.448 2.857 20 10 FFCDRM [O-]c1c(F)cc(Cl)cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000775703053 738115035 /nfs/dbraw/zinc/11/50/35/738115035.db2.gz IWAUCRDHKVDWBH-UHFFFAOYSA-N -1 0 350.703 2.811 20 10 FFCDRM O=C([O-])c1cc(O)ccc1NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000776434640 738194123 /nfs/dbraw/zinc/19/41/23/738194123.db2.gz HVIWIIFKCPNCEJ-UHFFFAOYSA-N -1 0 359.762 2.825 20 10 FFCDRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000776748752 738229277 /nfs/dbraw/zinc/22/92/77/738229277.db2.gz ZFJDSUPELRGBIB-UHFFFAOYSA-N -1 0 355.799 2.941 20 10 FFCDRM CC(C)CN1C[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CCN2C1=O ZINC000787288832 739123520 /nfs/dbraw/zinc/12/35/20/739123520.db2.gz MUBOYQUXMAKLNH-AWEZNQCLSA-N -1 0 355.841 2.763 20 10 FFCDRM CCOC(=O)[C@H](NCc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000789581080 739369885 /nfs/dbraw/zinc/36/98/85/739369885.db2.gz OEMIOCCOXRHUKI-GXTWGEPZSA-N -1 0 372.259 2.603 20 10 FFCDRM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000790411742 739449765 /nfs/dbraw/zinc/44/97/65/739449765.db2.gz QBORADALECIRID-UHFFFAOYSA-N -1 0 365.407 2.907 20 10 FFCDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000790411958 739450432 /nfs/dbraw/zinc/45/04/32/739450432.db2.gz XJJASBKCRZGYAE-UHFFFAOYSA-N -1 0 368.798 2.843 20 10 FFCDRM CCCN(Cc1cccc(Br)c1[O-])[C@@H](COC)C(=O)OCC ZINC000792186454 739648783 /nfs/dbraw/zinc/64/87/83/739648783.db2.gz NZKYFAMYBKKVJO-AWEZNQCLSA-N -1 0 374.275 2.945 20 10 FFCDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cs1 ZINC000792701847 739695366 /nfs/dbraw/zinc/69/53/66/739695366.db2.gz DBBVZWBZVZSFCZ-UHFFFAOYSA-N -1 0 359.450 2.763 20 10 FFCDRM CSc1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000792702725 739695894 /nfs/dbraw/zinc/69/58/94/739695894.db2.gz YEUXUZOQRBLVCH-UHFFFAOYSA-N -1 0 370.408 2.837 20 10 FFCDRM O=C([O-])CN1C(=O)/C(=C\c2cscc2Br)SC1=S ZINC000794688391 739919908 /nfs/dbraw/zinc/91/99/08/739919908.db2.gz ZQGJQZOMACVOEY-LREOWRDNSA-N -1 0 364.267 2.796 20 10 FFCDRM COC(=O)c1cc(-c2csc([N-]S(=O)(=O)c3ccsc3)n2)c[nH]1 ZINC000795550374 740035687 /nfs/dbraw/zinc/03/56/87/740035687.db2.gz VLQNDUPLIROMCF-UHFFFAOYSA-N -1 0 369.449 2.787 20 10 FFCDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c(Cl)c1 ZINC000797819456 740275773 /nfs/dbraw/zinc/27/57/73/740275773.db2.gz JSELJMYHVXOYJT-UHFFFAOYSA-N -1 0 371.798 2.642 20 10 FFCDRM CCNC(=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000805350546 740963192 /nfs/dbraw/zinc/96/31/92/740963192.db2.gz KJLHQPSLNAWSOY-UHFFFAOYSA-N -1 0 374.268 2.805 20 10 FFCDRM CCC(=O)N1CSC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837557 741162818 /nfs/dbraw/zinc/16/28/18/741162818.db2.gz VMMMJEBDISMSRZ-LLVKDONJSA-N -1 0 363.266 2.627 20 10 FFCDRM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000808065954 741182808 /nfs/dbraw/zinc/18/28/08/741182808.db2.gz CZMCEKDZOVLUJD-UHFFFAOYSA-N -1 0 370.814 2.813 20 10 FFCDRM CN(C)C(=O)O[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000824615548 743117207 /nfs/dbraw/zinc/11/72/07/743117207.db2.gz IOKZEMPECYHPNI-LBPRGKRZSA-N -1 0 357.794 2.616 20 10 FFCDRM COC(=O)c1ncccc1S(=O)(=O)[N-]c1cc(C(C)C)c(O)cc1C ZINC000829880857 745274001 /nfs/dbraw/zinc/27/40/01/745274001.db2.gz VOKRMTZMWBNSDD-UHFFFAOYSA-N -1 0 364.423 2.806 20 10 FFCDRM C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC000843306496 747808782 /nfs/dbraw/zinc/80/87/82/747808782.db2.gz SGIKFPQFTODUDQ-LLVKDONJSA-N -1 0 365.430 2.668 20 10 FFCDRM CC(=O)c1cc(Cl)cc(CN2CCn3c(CC4CC4)nnc3C2)c1O ZINC000844377521 748017256 /nfs/dbraw/zinc/01/72/56/748017256.db2.gz HIISIDKNIJKDBG-UHFFFAOYSA-N -1 0 360.845 2.808 20 10 FFCDRM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000849308263 749096595 /nfs/dbraw/zinc/09/65/95/749096595.db2.gz ONWYVSQLYGWOOM-INIZCTEOSA-N -1 0 371.455 2.516 20 10 FFCDRM CO[C@@H](CS(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000849308597 749097176 /nfs/dbraw/zinc/09/71/76/749097176.db2.gz TVTOFCSQWMGQMQ-HNNXBMFYSA-N -1 0 358.416 2.637 20 10 FFCDRM CC(C)C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)[O-] ZINC000849366342 749112953 /nfs/dbraw/zinc/11/29/53/749112953.db2.gz SKGZKVGBFHDTQM-ZDUSSCGKSA-N -1 0 361.467 2.793 20 10 FFCDRM CN(C)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013185481 845024471 /nfs/dbraw/zinc/02/44/71/845024471.db2.gz GAKQWIUZVVAYIO-UHFFFAOYSA-N -1 0 368.842 2.583 20 10 FFCDRM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1C ZINC000055668548 845336160 /nfs/dbraw/zinc/33/61/60/845336160.db2.gz ZLNHMZRPEDREPF-UHFFFAOYSA-N -1 0 360.482 2.619 20 10 FFCDRM O=C([O-])COc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000211639292 845750719 /nfs/dbraw/zinc/75/07/19/845750719.db2.gz GCLARBICRHAOOT-RIYZIHGNSA-N -1 0 372.427 2.951 20 10 FFCDRM CC(C)(C)OC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1COCC2 ZINC001602911084 971857219 /nfs/dbraw/zinc/85/72/19/971857219.db2.gz INGOVYCEAHBZTI-UHFFFAOYSA-N -1 0 355.412 2.579 20 10 FFCDRM O=C([O-])c1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccn1 ZINC001594769004 953547441 /nfs/dbraw/zinc/54/74/41/953547441.db2.gz XERIPMZOBUZZPQ-UHFFFAOYSA-N -1 0 372.450 2.655 20 10 FFCDRM COC(=O)CC[C@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)C(=O)[O-] ZINC001593844599 955398679 /nfs/dbraw/zinc/39/86/79/955398679.db2.gz YZUXPCJYTAFWAE-INIZCTEOSA-N -1 0 372.421 2.539 20 10 FFCDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594312156 958042780 /nfs/dbraw/zinc/04/27/80/958042780.db2.gz WBZHLJFCIHTWLC-HNNXBMFYSA-N -1 0 370.449 2.885 20 10 FFCDRM CCOC(=O)CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728199764 959395277 /nfs/dbraw/zinc/39/52/77/959395277.db2.gz WUJLTTCTCGMJHO-UHFFFAOYSA-N -1 0 369.417 2.856 20 10 FFCDRM Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1C ZINC000874963957 1013936788 /nfs/dbraw/zinc/93/67/88/1013936788.db2.gz SDHSRBRCBUOLLC-KRWDZBQOSA-N -1 0 354.406 2.904 20 10 FFCDRM CN1CCCc2cc(CNC(=O)N3CCCC[C@H]3CCC(=O)[O-])ccc21 ZINC001604216718 972702548 /nfs/dbraw/zinc/70/25/48/972702548.db2.gz WDSSUUZSYBHALV-KRWDZBQOSA-N -1 0 359.470 2.998 20 10 FFCDRM COC(=O)CN(CCC1(C(=O)[O-])CCC1)Cc1cc(Cl)ccc1O ZINC001604326034 973008379 /nfs/dbraw/zinc/00/83/79/973008379.db2.gz JMXUKSJAHKKELW-UHFFFAOYSA-N -1 0 355.818 2.666 20 10 FFCDRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(O)c2)C1 ZINC001606135563 973380188 /nfs/dbraw/zinc/38/01/88/973380188.db2.gz GDPMBPVUROBAQA-ZKKXHLJNSA-N -1 0 352.390 2.871 20 10 FFCDRM CC[C@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1ccc(Cl)c(Cl)c1[O-] ZINC001595298697 980420416 /nfs/dbraw/zinc/42/04/16/980420416.db2.gz UKBSFVNLDCSBEF-JTQLQIEISA-N -1 0 359.213 2.730 20 10 FFCDRM Cc1nc(NCc2ccc(N3CCC(CO)CC3)cc2)ccc1C(=O)[O-] ZINC000910287179 981887243 /nfs/dbraw/zinc/88/72/43/981887243.db2.gz HBELWGKALXLMSP-UHFFFAOYSA-N -1 0 355.438 2.909 20 10 FFCDRM C[C@@H](OCc1ccc(F)cc1)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911484439 982252793 /nfs/dbraw/zinc/25/27/93/982252793.db2.gz NXFZOJSYMWIXRW-CYBMUJFWSA-N -1 0 361.369 2.550 20 10 FFCDRM CCOC(=O)CCN(CC1CC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001596610016 984572196 /nfs/dbraw/zinc/57/21/96/984572196.db2.gz CWRXRAKWBMALEO-VURMDHGXSA-N -1 0 362.382 2.862 20 10 FFCDRM Cc1ccc(-n2[n-]c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2=O)cc1 ZINC000073407363 985460791 /nfs/dbraw/zinc/46/07/91/985460791.db2.gz WGKHWQSEGBNEKE-UHFFFAOYSA-N -1 0 364.449 2.812 20 10 FFCDRM CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NCc1c(O)cccc1F)C2 ZINC000917732125 990267652 /nfs/dbraw/zinc/26/76/52/990267652.db2.gz KQHPWMIMMQTPPE-GFCCVEGCSA-N -1 0 360.433 2.840 20 10 FFCDRM CN(C[C@@H]1COc2ccccc2O1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000920959159 990942364 /nfs/dbraw/zinc/94/23/64/990942364.db2.gz DFFVVVICPRBNTI-RCQQVGEISA-N -1 0 370.361 2.969 20 10 FFCDRM Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC000237643675 991296729 /nfs/dbraw/zinc/29/67/29/991296729.db2.gz NPYAOAKCIDIPTK-PXAZEXFGSA-N -1 0 360.385 2.547 20 10 FFCDRM CN(C)c1ccc(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1F ZINC001598318023 991311670 /nfs/dbraw/zinc/31/16/70/991311670.db2.gz QKVYHPNZDUZPLH-FOIQADDNSA-N -1 0 356.397 2.766 20 10 FFCDRM CN(C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC001598504578 992484108 /nfs/dbraw/zinc/48/41/08/992484108.db2.gz VGMSJZJTQNSNHW-OKILXGFUSA-N -1 0 364.442 2.890 20 10 FFCDRM CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC(C(=O)[O-])CC1 ZINC001591506339 992653121 /nfs/dbraw/zinc/65/31/21/992653121.db2.gz ACMRCBHDCNWXCH-UHFFFAOYSA-N -1 0 350.444 2.669 20 10 FFCDRM CN1CCCc2cc(CNC(=O)[C@@]3(C(=O)[O-])C[C@H]3c3ccccc3)ccc21 ZINC001598602835 993588884 /nfs/dbraw/zinc/58/88/84/993588884.db2.gz SERDKJAKXXZZGC-PGRDOPGGSA-N -1 0 364.445 2.944 20 10 FFCDRM COC(=O)COc1ccc(N(C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 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Cc1nc(NCc2cc(Cl)cc(Cl)c2[O-])sc1S(N)(=O)=O ZINC000808089908 741184892 /nfs/dbraw/zinc/18/48/92/741184892.db2.gz MPAZCRPBNOTLHV-UHFFFAOYSA-N -1 0 368.267 2.723 20 10 FFCDRM COC(=O)Cc1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000811701851 741549262 /nfs/dbraw/zinc/54/92/62/741549262.db2.gz HNKJQUXJZDYXLS-UHFFFAOYSA-N -1 0 373.789 2.701 20 10 FFCDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817859145 742217943 /nfs/dbraw/zinc/21/79/43/742217943.db2.gz VIZZGXZPGKUDLJ-WCQYABFASA-N -1 0 359.451 2.641 20 10 FFCDRM COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000818357631 742266511 /nfs/dbraw/zinc/26/65/11/742266511.db2.gz COAZNKRLXGZYQQ-DTWKUNHWSA-N -1 0 351.384 2.955 20 10 FFCDRM CC(C)C[C@H](CNC(=O)NCc1cc(Br)ccc1O)C(=O)[O-] ZINC000818628353 742286108 /nfs/dbraw/zinc/28/61/08/742286108.db2.gz ULLUFZKHUKLNPF-LLVKDONJSA-N -1 0 373.247 2.701 20 10 FFCDRM COc1cccc(S([O-])=CC(=O)NCCCSc2nccs2)c1 ZINC000819278959 742367077 /nfs/dbraw/zinc/36/70/77/742367077.db2.gz XPUPWPHKRSCPPF-HSZRJFAPSA-N -1 0 370.521 2.558 20 10 FFCDRM COc1cccc(S([O-])=CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000819502160 742399172 /nfs/dbraw/zinc/39/91/72/742399172.db2.gz PUKHVRJAGTXWOG-PWECECGKSA-N -1 0 360.479 2.746 20 10 FFCDRM O=C1CN(Cc2cccc(Br)c2[O-])CN1CCC(F)(F)F ZINC000824708094 743132276 /nfs/dbraw/zinc/13/22/76/743132276.db2.gz DHOGAUYHMOIEAF-UHFFFAOYSA-N -1 0 367.165 2.709 20 10 FFCDRM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cs2)cc1C ZINC000829748108 745254053 /nfs/dbraw/zinc/25/40/53/745254053.db2.gz FBWHPMANHKNEOK-UHFFFAOYSA-N -1 0 374.509 2.927 20 10 FFCDRM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCN1C(=O)c1cscn1 ZINC000835056534 745941033 /nfs/dbraw/zinc/94/10/33/745941033.db2.gz HDWVLCCPZOAJIY-JTQLQIEISA-N -1 0 369.849 2.988 20 10 FFCDRM COCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000840916771 747223881 /nfs/dbraw/zinc/22/38/81/747223881.db2.gz DEPOZMIYHKCHRQ-UHFFFAOYSA-N -1 0 367.471 2.809 20 10 FFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCN1C(=O)C1CC1 ZINC000843888399 747920386 /nfs/dbraw/zinc/92/03/86/747920386.db2.gz GINMRLHJERUAGW-ZDUSSCGKSA-N -1 0 357.237 2.716 20 10 FFCDRM C[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(Br)cc(F)c1[O-] ZINC000848560907 748960684 /nfs/dbraw/zinc/96/06/84/748960684.db2.gz MVADWGRCUXFJJA-MRVPVSSYSA-N -1 0 372.242 2.886 20 10 FFCDRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(F)F)c(C)n1-c1ccc(F)cc1 ZINC000851357291 749573250 /nfs/dbraw/zinc/57/32/50/749573250.db2.gz BFJCBBCIBJABMI-UHFFFAOYSA-N -1 0 360.357 2.558 20 10 FFCDRM Nc1ccc(Cc2nc(C(=O)NC[C@H](C(=O)[O-])C3CCC3)cs2)cc1 ZINC000853059769 749998396 /nfs/dbraw/zinc/99/83/96/749998396.db2.gz KFVOKAKZIHVKRZ-AWEZNQCLSA-N -1 0 359.451 2.547 20 10 FFCDRM O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1ccc2c(c1)CCO2 ZINC000060471926 845422061 /nfs/dbraw/zinc/42/20/61/845422061.db2.gz CTFTYIWDTGTATJ-UHFFFAOYSA-N -1 0 359.432 2.941 20 10 FFCDRM O=C([O-])CCCN1C(=O)/C(=C/c2ccnn2-c2ccccc2)SC1=S ZINC000203058595 845747674 /nfs/dbraw/zinc/74/76/74/845747674.db2.gz ZXTSWVLDNUYZQF-KAMYIIQDSA-N -1 0 373.459 2.938 20 10 FFCDRM CN(Cc1ccccc1O)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000320959915 845801002 /nfs/dbraw/zinc/80/10/02/845801002.db2.gz ITRGNEKVONKBSH-UHFFFAOYSA-N -1 0 355.799 2.565 20 10 FFCDRM CCCN(CC(=O)[O-])C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001589664753 949881111 /nfs/dbraw/zinc/88/11/11/949881111.db2.gz LBKDNVYENHFKSF-UHFFFAOYSA-N -1 0 356.422 2.772 20 10 FFCDRM Cc1cc(C(=O)Nc2cnn(CC(=O)[O-])c2)c(C)n1-c1ccc(F)cc1 ZINC001594281291 957746640 /nfs/dbraw/zinc/74/66/40/957746640.db2.gz FJHUQXYQJNMIAP-UHFFFAOYSA-N -1 0 356.357 2.767 20 10 FFCDRM Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC001594353295 958380503 /nfs/dbraw/zinc/38/05/03/958380503.db2.gz NFJJHKUGISMBFU-IBGZPJMESA-N -1 0 363.417 2.915 20 10 FFCDRM COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[C@H]2c2ccccc2)cc1 ZINC000872901026 1013298251 /nfs/dbraw/zinc/29/82/51/1013298251.db2.gz DLECYQYHZWSEAT-SFHVURJKSA-N -1 0 354.406 2.560 20 10 FFCDRM COc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC(F)F ZINC000728698720 970374011 /nfs/dbraw/zinc/37/40/11/970374011.db2.gz QBDNVUUEEHLKJF-UKTHLTGXSA-N -1 0 360.316 2.758 20 10 FFCDRM Cc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])c(C)n1-c1cccc(C(C)C)c1 ZINC000262383456 972597821 /nfs/dbraw/zinc/59/78/21/972597821.db2.gz KXDTYPHOGWNMQO-FQEVSTJZSA-N -1 0 358.438 2.783 20 10 FFCDRM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001605186424 972900359 /nfs/dbraw/zinc/90/03/59/972900359.db2.gz CSCCKLYAZUAEMF-DHSIGJKJSA-N -1 0 361.486 2.744 20 10 FFCDRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)[C@@H]1CCCO1 ZINC001592227080 977422841 /nfs/dbraw/zinc/42/28/41/977422841.db2.gz LHENCKLOVDOQKQ-ABAIWWIYSA-N -1 0 355.818 2.664 20 10 FFCDRM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000263110506 980441553 /nfs/dbraw/zinc/44/15/53/980441553.db2.gz RPPDJSJUVQSIMI-SJORKVTESA-N -1 0 374.412 2.937 20 10 FFCDRM CC[C@@H]1CN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H](C)[S@@]1=O ZINC001595489999 981240946 /nfs/dbraw/zinc/24/09/46/981240946.db2.gz YJSIQMKJGKNNJU-GAYUNNFGSA-N -1 0 366.458 2.747 20 10 FFCDRM COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911485540 982254114 /nfs/dbraw/zinc/25/41/14/982254114.db2.gz JELYVLPXRUMSII-HOTGVXAUSA-N -1 0 355.390 2.618 20 10 FFCDRM COc1cccc(CCC(=O)N(CC(=O)[O-])Cc2ccccc2O)c1F ZINC000911492830 982256285 /nfs/dbraw/zinc/25/62/85/982256285.db2.gz JYMAZFJBRLEZMJ-UHFFFAOYSA-N -1 0 361.369 2.586 20 10 FFCDRM COc1ccc(N2CCC(NC(=O)/C=C\c3cc(C(=O)[O-])co3)CC2)cc1 ZINC000911334945 982358504 /nfs/dbraw/zinc/35/85/04/982358504.db2.gz PFFIVMIYNAZSTJ-SREVYHEPSA-N -1 0 370.405 2.785 20 10 FFCDRM CC[N@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC001596224844 983615602 /nfs/dbraw/zinc/61/56/02/983615602.db2.gz DROATKQGCFWBJV-UHFFFAOYSA-N -1 0 367.037 2.824 20 10 FFCDRM CCN(CC)c1ccc(CNC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1 ZINC001596288292 983707773 /nfs/dbraw/zinc/70/77/73/983707773.db2.gz KQGPSHTYSLKLPH-UHFFFAOYSA-N -1 0 373.457 2.871 20 10 FFCDRM CCN(CC)c1ccc(CNS(=O)(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC001596288768 983708818 /nfs/dbraw/zinc/70/88/18/983708818.db2.gz ZUPJFDNYRYEJAL-UHFFFAOYSA-N -1 0 368.499 2.596 20 10 FFCDRM CCN(CC)c1ccc(CNC(=O)Cc2ccc(C(=O)[O-])nc2)cc1F ZINC001596289829 983710130 /nfs/dbraw/zinc/71/01/30/983710130.db2.gz POOFVDBYFSSENX-UHFFFAOYSA-N -1 0 359.401 2.624 20 10 FFCDRM CCN(Cc1cc(Br)ccc1O)c1nccc(C(=O)[O-])n1 ZINC001596354376 983818238 /nfs/dbraw/zinc/81/82/38/983818238.db2.gz NIHSNPRXHMZYMO-UHFFFAOYSA-N -1 0 352.188 2.669 20 10 FFCDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001596587379 984520598 /nfs/dbraw/zinc/52/05/98/984520598.db2.gz UGQOTEMNVVPHKU-JLTOFOAXSA-N -1 0 360.406 2.753 20 10 FFCDRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc2)n[nH]1 ZINC000765100240 984963440 /nfs/dbraw/zinc/96/34/40/984963440.db2.gz UVEJIBIQRRIDDA-UHFFFAOYSA-N -1 0 371.378 2.847 20 10 FFCDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C=Cc2ccc(O)c(O)c2)c(C)c1C(=O)[O-] ZINC001599943995 985491953 /nfs/dbraw/zinc/49/19/53/985491953.db2.gz NCXWLDHGBWLEEP-XOIDGJRKSA-N -1 0 373.361 2.569 20 10 FFCDRM CSc1cccc(NC(=O)CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599824799 988579521 /nfs/dbraw/zinc/57/95/21/988579521.db2.gz QKHVYMPXIIHDOP-UHFFFAOYSA-N -1 0 360.435 2.947 20 10 FFCDRM CCc1oc(C(=O)[O-])cc1CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001597766320 989212112 /nfs/dbraw/zinc/21/21/12/989212112.db2.gz LKUCRXQAIOFWPA-UHFFFAOYSA-N -1 0 374.437 2.880 20 10 FFCDRM CC(C)(NCc1cc(Br)ccc1O)c1nocc1C(=O)[O-] ZINC001590871267 990776722 /nfs/dbraw/zinc/77/67/22/990776722.db2.gz KYIKEYZNKICLSW-UHFFFAOYSA-N -1 0 355.188 2.866 20 10 FFCDRM O=C([O-])/C=C/c1ccc(N2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000920957469 990942351 /nfs/dbraw/zinc/94/23/51/990942351.db2.gz GCKLRNJUHZFOLL-KRXBUXKQSA-N -1 0 369.377 2.725 20 10 FFCDRM COc1ccc(N(C)CCN(C)C(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001599583941 993587648 /nfs/dbraw/zinc/58/76/48/993587648.db2.gz JYIZTRJXGHENEL-UHFFFAOYSA-N -1 0 370.449 2.921 20 10 FFCDRM COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C(=O)[O-])cc3F)C2)cc1 ZINC001599586440 993619735 /nfs/dbraw/zinc/61/97/35/993619735.db2.gz PPUBAJNFAKLWJU-CYBMUJFWSA-N -1 0 358.369 2.541 20 10 FFCDRM COc1ccc2c(c1)CCCN2CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC001599628342 994181028 /nfs/dbraw/zinc/18/10/28/994181028.db2.gz OLNJLUZDBHFORV-UHFFFAOYSA-N -1 0 354.406 2.809 20 10 FFCDRM COCc1cc(NC(=O)NCc2ccc(OC)cc2O)cc(C(=O)[O-])c1 ZINC001599285476 996969507 /nfs/dbraw/zinc/96/95/07/996969507.db2.gz ALGAGLUVPJKLCO-UHFFFAOYSA-N -1 0 360.366 2.567 20 10 FFCDRM COC(=O)c1cc(CN(C)c2ccc(OC)cc2OC)cc(C(=O)[O-])c1 ZINC001598929569 997718851 /nfs/dbraw/zinc/71/88/51/997718851.db2.gz POLWOCWMSJIHCT-UHFFFAOYSA-N -1 0 359.378 2.825 20 10 FFCDRM COc1ccc(N2CCCN(c3ccc(C(=O)[O-])c(OC)n3)CC2)cc1 ZINC000844207873 997725173 /nfs/dbraw/zinc/72/51/73/997725173.db2.gz NLSXOQXDGVTAQA-UHFFFAOYSA-N -1 0 357.410 2.514 20 10 FFCDRM COc1ccc(CN2CCOc3cc(C(=O)[O-])ccc3C2)c(O)c1OC ZINC001599560608 998185093 /nfs/dbraw/zinc/18/50/93/998185093.db2.gz 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COCC1(C(=O)Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)CCC1 ZINC001181951096 1010319571 /nfs/dbraw/zinc/31/95/71/1010319571.db2.gz SBSUIVRCMJHBOV-UHFFFAOYSA-N -1 0 365.385 2.923 20 10 FFCDRM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3c([O-])cc(F)cc3F)C[C@@]2(F)C1=O ZINC001275229503 1012108581 /nfs/dbraw/zinc/10/85/81/1012108581.db2.gz MTEBCFWHDPCNIM-GPNNCHTKSA-N -1 0 360.351 2.543 20 10 FFCDRM COc1ccc(N2CCN(C(=O)c3ccc(F)cc3[O-])CC2)c(OC)c1 ZINC000870164803 1012228617 /nfs/dbraw/zinc/22/86/17/1012228617.db2.gz BRBWTCARFNYOCV-UHFFFAOYSA-N -1 0 360.385 2.511 20 10 FFCDRM [O-]c1c(Br)cc(Br)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001203568238 1030769723 /nfs/dbraw/zinc/76/97/23/1030769723.db2.gz GACZNYLDDDZYKA-AOOOYVTPSA-N -1 0 363.049 2.890 20 10 FFCDRM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203581891 1030773701 /nfs/dbraw/zinc/77/37/01/1030773701.db2.gz CTNYMIOVLPFWFO-CGJHYDBRSA-N -1 0 360.237 2.851 20 10 FFCDRM CC(C)[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001204790126 1031441887 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[O-]c1cc(F)cc(F)c1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001140580671 1035659124 /nfs/dbraw/zinc/65/91/24/1035659124.db2.gz IPFYRTOWKZKMHB-UHFFFAOYSA-N -1 0 362.424 2.869 20 10 FFCDRM COc1cc(OC2CC3(COC3)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227657998 1035659311 /nfs/dbraw/zinc/65/93/11/1035659311.db2.gz QARWQOILAUQZPF-UHFFFAOYSA-N -1 0 370.357 2.924 20 10 FFCDRM COC(=O)[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccccc1)C(F)(F)F ZINC001227937889 1035822383 /nfs/dbraw/zinc/82/23/83/1035822383.db2.gz OUHADUQKEVKUNO-OAHLLOKOSA-N -1 0 370.279 2.812 20 10 FFCDRM O=c1c2ccc([O-])cc2oc(-c2ccc(O)c(O)c2)c1O[C@@H]1COC[C@H]1F ZINC001228366240 1036072704 /nfs/dbraw/zinc/07/27/04/1036072704.db2.gz UOLJSQNBRZVFDX-MLGOLLRUSA-N -1 0 374.320 2.693 20 10 FFCDRM [O-]c1cc(Br)cc(F)c1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001233028530 1036267164 /nfs/dbraw/zinc/26/71/64/1036267164.db2.gz PZZJGOLXHQPNQH-XCBNKYQSSA-N -1 0 372.156 2.896 20 10 FFCDRM C[C@@H](O)CCCC(=O)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O ZINC001229191550 1036541293 /nfs/dbraw/zinc/54/12/93/1036541293.db2.gz CCWKQNJVEGODCS-LLVKDONJSA-N -1 0 354.358 2.624 20 10 FFCDRM C[C@H](CON)OC1=CC(=O)C=CC1=NNc1ccc(S(=O)(=O)[O-])cc1 ZINC001229415896 1036660531 /nfs/dbraw/zinc/66/05/31/1036660531.db2.gz DNLWKFBTDHWFAE-KSADHVCASA-N -1 0 367.383 2.712 20 10 FFCDRM CC(C)=CCN1CC2(CN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277388703 1036683984 /nfs/dbraw/zinc/68/39/84/1036683984.db2.gz ZYDHHMUZLCFBHW-UHFFFAOYSA-N -1 0 368.836 2.564 20 10 FFCDRM CC1(C)CN(C2CN(Cc3cc(Br)cc(F)c3[O-])C2)CCO1 ZINC001235069336 1037338714 /nfs/dbraw/zinc/33/87/14/1037338714.db2.gz RPBWZKWJNGAVOX-UHFFFAOYSA-N -1 0 373.266 2.589 20 10 FFCDRM CC(C)(C)N1CCN(Cc2cc(Br)cc(F)c2[O-])CC1=O ZINC001235069162 1037339337 /nfs/dbraw/zinc/33/93/37/1037339337.db2.gz PZNPEKPWUVGZKW-UHFFFAOYSA-N -1 0 359.239 2.737 20 10 FFCDRM CC(C)(C)OC(=O)N1CCOC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231910356 1038000549 /nfs/dbraw/zinc/00/05/49/1038000549.db2.gz MIRNUARPZQXIDO-UHFFFAOYSA-N -1 0 368.861 2.867 20 10 FFCDRM CCC(=O)NC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC001236666273 1038181160 /nfs/dbraw/zinc/18/11/60/1038181160.db2.gz NSKMQMQVRKWZFD-UHFFFAOYSA-N -1 0 355.276 2.954 20 10 FFCDRM [O-]c1cc(Br)cc(F)c1CN1CCN[C@H](C(F)(F)F)C1 ZINC001236994992 1038401771 /nfs/dbraw/zinc/40/17/71/1038401771.db2.gz HYLQGNLVJCGVMV-NSHDSACASA-N -1 0 357.145 2.630 20 10 FFCDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCC2(C1)CCOCC2 ZINC001251409309 1039114377 /nfs/dbraw/zinc/11/43/77/1039114377.db2.gz ORKMOGXIWJUVNP-UHFFFAOYSA-N -1 0 366.266 2.890 20 10 FFCDRM O=C1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])C[C@H]12 ZINC001251418885 1039121794 /nfs/dbraw/zinc/12/17/94/1039121794.db2.gz OLQDUEWYCZPGCT-WPRPVWTQSA-N -1 0 364.250 2.689 20 10 FFCDRM O=S(=O)(N[C@H]1CCCc2nccnc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001251444628 1039134898 /nfs/dbraw/zinc/13/48/98/1039134898.db2.gz KEYWYCDEDIMINM-NSHDSACASA-N -1 0 374.249 2.845 20 10 FFCDRM Cn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccc(F)cc2)cn1 ZINC001259820055 1040226351 /nfs/dbraw/zinc/22/63/51/1040226351.db2.gz VIBJVXCXCLPMQN-UHFFFAOYSA-N -1 0 359.382 2.591 20 10 FFCDRM CC1(C)COC(c2ccccc2[N-]S(=O)(=O)c2cccc3nonc32)=N1 ZINC001260442178 1040593293 /nfs/dbraw/zinc/59/32/93/1040593293.db2.gz OQZIZEKILYNBSO-UHFFFAOYSA-N -1 0 372.406 2.579 20 10 FFCDRM COc1ccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(N)=O)cc1Cl ZINC001260967510 1040895638 /nfs/dbraw/zinc/89/56/38/1040895638.db2.gz PLAIGDVKVJGIPB-UHFFFAOYSA-N -1 0 374.871 2.927 20 10 FFCDRM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001278606010 1041393098 /nfs/dbraw/zinc/39/30/98/1041393098.db2.gz PQLIDXOVDVZECR-OAHLLOKOSA-N -1 0 360.404 2.837 20 10 FFCDRM O=C(Nc1cccnc1)N1CCC12CN(Cc1cccc(Cl)c1[O-])C2 ZINC001279441292 1043116138 /nfs/dbraw/zinc/11/61/38/1043116138.db2.gz KEILZEWPSMSRNB-UHFFFAOYSA-N -1 0 358.829 2.933 20 10 FFCDRM CC(C)(C)OC(=O)NC[C@H]1COCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001237621604 1043277307 /nfs/dbraw/zinc/27/73/07/1043277307.db2.gz CWOSXYORFUZJEU-ZDUSSCGKSA-N -1 0 374.840 2.910 20 10 FFCDRM O=C(NC1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1)c1ccncc1 ZINC001237800924 1043366145 /nfs/dbraw/zinc/36/61/45/1043366145.db2.gz DWPVDXOOSQXSNO-UHFFFAOYSA-N -1 0 363.820 2.974 20 10 FFCDRM CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(F)c(F)c1[O-] ZINC001279696932 1043487328 /nfs/dbraw/zinc/48/73/28/1043487328.db2.gz DCQLFURTPJVQRS-XHSDSOJGSA-N -1 0 360.404 2.978 20 10 FFCDRM Cn1ccc(-c2ccc(F)cc2[N-]S(=O)(=O)c2ccccc2)cc1=O ZINC001240984165 1044471117 /nfs/dbraw/zinc/47/11/17/1044471117.db2.gz XJMMCGGIEBADEP-UHFFFAOYSA-N -1 0 358.394 2.992 20 10 FFCDRM O=C([O-])Cn1cc(-c2ncnc3c2ccn3Cc2cccc(F)c2)cn1 ZINC001242182312 1044703050 /nfs/dbraw/zinc/70/30/50/1044703050.db2.gz XCKHODVBZDGGTK-UHFFFAOYSA-N -1 0 351.341 2.567 20 10 FFCDRM Cc1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C(=O)[O-] ZINC000738340832 1048679360 /nfs/dbraw/zinc/67/93/60/1048679360.db2.gz SBJYXKXBQSDVBA-HNNXBMFYSA-N -1 0 370.405 2.615 20 10 FFCDRM COCCN(CCC(=O)[O-])C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001333944493 1049178333 /nfs/dbraw/zinc/17/83/33/1049178333.db2.gz HASCAPKXILKVCF-UHFFFAOYSA-N -1 0 358.438 2.586 20 10 FFCDRM COc1ccc(-n2cc([O-])c(C(=O)N[C@@H](C)c3ccccc3O)n2)cc1 ZINC001302538621 1051130498 /nfs/dbraw/zinc/13/04/98/1051130498.db2.gz XAARSLYICJEKSI-LBPRGKRZSA-N -1 0 353.378 2.783 20 10 FFCDRM Cc1nc2cc(NC(=O)c3c(F)ccc(O)c3[O-])ccc2n1[C@H](C)CO ZINC001306843912 1052198539 /nfs/dbraw/zinc/19/85/39/1052198539.db2.gz WPMQWFNGQAZHLH-SECBINFHSA-N -1 0 359.357 2.701 20 10 FFCDRM CCn1[n-]cc(-c2nnc(N(C)Cc3ccccc3O)n2CC(C)C)c1=O ZINC001344124598 1052611229 /nfs/dbraw/zinc/61/12/29/1052611229.db2.gz LHESIBIQKCALCG-UHFFFAOYSA-N -1 0 370.457 2.865 20 10 FFCDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC001335451146 1053372772 /nfs/dbraw/zinc/37/27/72/1053372772.db2.gz KINAFKNHWSPRGO-FQEVSTJZSA-N -1 0 357.454 2.849 20 10 FFCDRM CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001339694017 1056717004 /nfs/dbraw/zinc/71/70/04/1056717004.db2.gz JMWBXUYRKNGSMJ-QZTJIDSGSA-N -1 0 353.422 2.865 20 10 FFCDRM CSCC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1nnn[n-]1 ZINC001453786910 1059411700 /nfs/dbraw/zinc/41/17/00/1059411700.db2.gz WWAHQTIFEVIDBG-INIZCTEOSA-N -1 0 370.482 2.831 20 10 FFCDRM C[C@@H](NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC001589108883 1080362326 /nfs/dbraw/zinc/36/23/26/1080362326.db2.gz PCYKWJJRSVZOKX-GFCCVEGCSA-N -1 0 359.430 2.652 20 10 FFCDRM O=C([O-])CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=S ZINC000096585025 132225629 /nfs/dbraw/zinc/22/56/29/132225629.db2.gz IBVLXEZEGGOGEO-UVTDQMKNSA-N -1 0 362.476 2.963 20 10 FFCDRM Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c(C)n1-c1ccc(F)cc1 ZINC000183431914 509785057 /nfs/dbraw/zinc/78/50/57/509785057.db2.gz HVEXEIQSJSKLQR-NSHDSACASA-N -1 0 356.405 2.622 20 10 FFCDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000277004093 510952212 /nfs/dbraw/zinc/95/22/12/510952212.db2.gz YWJWBGOVNWQSSX-UHFFFAOYSA-N -1 0 367.423 2.781 20 10 FFCDRM Cc1ccc(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(O)c1O ZINC000295438505 511405255 /nfs/dbraw/zinc/40/52/55/511405255.db2.gz ZUOOFOMIUUHPHR-CQSZACIVSA-N -1 0 364.442 2.782 20 10 FFCDRM O=C([O-])c1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000296901898 511944119 /nfs/dbraw/zinc/94/41/19/511944119.db2.gz ZCTZAPRJXUTJJM-KRWDZBQOSA-N -1 0 355.390 2.912 20 10 FFCDRM O=S(=O)([N-]c1nc(-c2cccnc2)cs1)c1cn2c(n1)CCCC2 ZINC000376163196 512690059 /nfs/dbraw/zinc/69/00/59/512690059.db2.gz AUMYYYZUIJPENN-UHFFFAOYSA-N -1 0 361.452 2.539 20 10 FFCDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000542237238 517453400 /nfs/dbraw/zinc/45/34/00/517453400.db2.gz ZMUUBNRQJNNOIT-UHFFFAOYSA-N -1 0 371.447 2.986 20 10 FFCDRM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(Cl)c1 ZINC000237701144 599938262 /nfs/dbraw/zinc/93/82/62/599938262.db2.gz ZQYDCHSGOAUGMX-INIZCTEOSA-N -1 0 362.813 2.673 20 10 FFCDRM COC(=O)c1ccc2c(c1)CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000737706901 600005669 /nfs/dbraw/zinc/00/56/69/600005669.db2.gz DMUVANGTIUFDJR-CLTKARDFSA-N -1 0 368.345 2.999 20 10 FFCDRM O=C([O-])c1cccc(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000740226109 600164090 /nfs/dbraw/zinc/16/40/90/600164090.db2.gz VAGCRNRIJNVOTI-UHFFFAOYSA-N -1 0 374.462 2.605 20 10 FFCDRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000739478899 600506659 /nfs/dbraw/zinc/50/66/59/600506659.db2.gz BTQMEQHPFAJPEK-AWEZNQCLSA-N -1 0 374.418 2.785 20 10 FFCDRM CCOc1ccc(N(C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737201884 600574272 /nfs/dbraw/zinc/57/42/72/600574272.db2.gz AMVXKCCBFIUUSO-UHFFFAOYSA-N -1 0 357.410 2.928 20 10 FFCDRM CCN(CC)C(=O)[C@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737079175 600610772 /nfs/dbraw/zinc/61/07/72/600610772.db2.gz XVSQGRBDLRZGHU-WKTRQSJXSA-N -1 0 361.398 2.530 20 10 FFCDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000833186197 601389074 /nfs/dbraw/zinc/38/90/74/601389074.db2.gz QZMUJZZLUMOFQA-INMHGKMJSA-N -1 0 361.438 2.791 20 10 FFCDRM COC(=O)CN(Cc1ccc(C(=O)[O-])s1)Cc1cc(Cl)ccc1O ZINC000831175173 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FFCDRM CC(C)C(=O)N1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144307654 998304006 /nfs/dbraw/zinc/30/40/06/998304006.db2.gz DTGCORHDRIEWPJ-UHFFFAOYSA-N -1 0 359.239 2.594 20 10 FFCDRM C[C@H]1CC[C@H](CCC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)O1 ZINC001594302586 999170434 /nfs/dbraw/zinc/17/04/34/999170434.db2.gz QFEDFNQDRVUFND-SMDDNHRTSA-N -1 0 355.818 2.807 20 10 FFCDRM Cc1cc(N(C)C)ccc1CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000846122883 1000205205 /nfs/dbraw/zinc/20/52/05/1000205205.db2.gz BPYWIWFBJIQJEN-NRFANRHFSA-N -1 0 369.465 2.903 20 10 FFCDRM O=C(Nc1cc(-c2ccccc2)cnn1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147881200 1001000564 /nfs/dbraw/zinc/00/05/64/1001000564.db2.gz RXAXSYXKHQGTTN-UHFFFAOYSA-N -1 0 357.373 2.875 20 10 FFCDRM O=C(COCC1CC1)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001182479630 1001922076 /nfs/dbraw/zinc/92/20/76/1001922076.db2.gz ONAXXRNVSNRGQG-UHFFFAOYSA-N -1 0 351.358 2.533 20 10 FFCDRM Cc1ccc(=O)[nH]c1C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001193189778 1004397592 /nfs/dbraw/zinc/39/75/92/1004397592.db2.gz RYJXZEIGHITXOS-UHFFFAOYSA-N -1 0 374.352 2.829 20 10 FFCDRM Cc1cc(C)c(NC(=O)c2ccc(O)c(O)c2Cl)c(S(=O)(=O)[O-])c1 ZINC001193230603 1004429969 /nfs/dbraw/zinc/42/99/69/1004429969.db2.gz XKAZAMVNVNXUEE-UHFFFAOYSA-N -1 0 371.798 2.867 20 10 FFCDRM COC(=O)c1cc(O)c(OC)cc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193624622 1004527473 /nfs/dbraw/zinc/52/74/73/1004527473.db2.gz HEHHRJHSHTZCKC-UHFFFAOYSA-N -1 0 367.741 2.504 20 10 FFCDRM O=C(c1c([O-])c(F)c(F)c(F)c1F)N1CCCc2cc(O)c(O)cc2C1 ZINC001195294896 1004934631 /nfs/dbraw/zinc/93/46/31/1004934631.db2.gz HFNPSBZPROGUIL-UHFFFAOYSA-N -1 0 371.286 2.948 20 10 FFCDRM O=S(=O)([N-]c1cccc(O)c1O)c1ncccc1OCc1ccccc1 ZINC001201895799 1005280758 /nfs/dbraw/zinc/28/07/58/1005280758.db2.gz FYAQWQHHBBMAEB-UHFFFAOYSA-N -1 0 372.402 2.873 20 10 FFCDRM COc1c(O)c(CN2CCO[C@H](COc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775116780 1006052977 /nfs/dbraw/zinc/05/29/77/1006052977.db2.gz XABLDIDFIHJQMG-INIZCTEOSA-N -1 0 374.393 2.589 20 10 FFCDRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000818305779 1007898503 /nfs/dbraw/zinc/89/85/03/1007898503.db2.gz GHGUBQYURBEJHI-HXUWFJFHSA-N -1 0 374.412 2.939 20 10 FFCDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000819761424 1008232288 /nfs/dbraw/zinc/23/22/88/1008232288.db2.gz PUGWVLLLCMCCRJ-UHFFFAOYSA-N -1 0 372.421 2.595 20 10 FFCDRM CN(C)C(=O)c1c[nH]nc1NCc1cc(Cl)cc(Br)c1[O-] ZINC001179685264 1009401340 /nfs/dbraw/zinc/40/13/40/1009401340.db2.gz IMNGCXIQDIXMOE-UHFFFAOYSA-N -1 0 373.638 2.845 20 10 FFCDRM COc1ccc(N2CC[C@H](CNC(=O)/C=C/c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000864148950 1010402602 /nfs/dbraw/zinc/40/26/02/1010402602.db2.gz GMVGFDMSGQKGOS-RCQQVGEISA-N -1 0 370.405 2.642 20 10 FFCDRM COCCOc1cc(NC(=O)c2c(F)ccc(O)c2[O-])ccc1OC ZINC001182184341 1010411943 /nfs/dbraw/zinc/41/19/43/1010411943.db2.gz WGIGRTCLHUSSCM-UHFFFAOYSA-N -1 0 351.330 2.523 20 10 FFCDRM COc1ncc(-c2noc(-c3cc4cc(O)c([O-])cc4oc3=O)n2)cc1C ZINC001217554237 1032780256 /nfs/dbraw/zinc/78/02/56/1032780256.db2.gz QLLVJRUBFIQSEA-UHFFFAOYSA-N -1 0 367.317 2.633 20 10 FFCDRM O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000837709524 1025975137 /nfs/dbraw/zinc/97/51/37/1025975137.db2.gz YVMBEXSTRPMFJM-UHFFFAOYSA-N -1 0 366.339 2.576 20 10 FFCDRM COC(=O)[C@@]1(F)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367662 1026042976 /nfs/dbraw/zinc/04/29/76/1026042976.db2.gz KRVWELANUNXYBZ-CYBMUJFWSA-N -1 0 366.614 2.895 20 10 FFCDRM Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000780576944 1028736988 /nfs/dbraw/zinc/73/69/88/1028736988.db2.gz MKRNILUYAHPOPH-IBGZPJMESA-N -1 0 367.449 2.955 20 10 FFCDRM CN(C)c1ccc(CNC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC000797715309 1031190372 /nfs/dbraw/zinc/19/03/72/1031190372.db2.gz NTFGFAPYMJUTRC-KRWDZBQOSA-N -1 0 359.401 2.859 20 10 FFCDRM COCc1cnc2n1CCN(Cc1c([O-])ccc3c(C)cc(=O)oc31)[C@H]2C ZINC001139125822 1034955205 /nfs/dbraw/zinc/95/52/05/1034955205.db2.gz LSSYNNQYHJYCNS-ZDUSSCGKSA-N -1 0 369.421 2.727 20 10 FFCDRM O=C(c1ccccc1F)N1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139682646 1035197285 /nfs/dbraw/zinc/19/72/85/1035197285.db2.gz ACWFGRNERCIRCC-UHFFFAOYSA-N -1 0 350.340 2.768 20 10 FFCDRM CCOC[C@H]1CN(Cc2cc(Cl)c(O)cc2O)Cc2c1cnn2C ZINC001232257352 1035528154 /nfs/dbraw/zinc/52/81/54/1035528154.db2.gz CPIVUNXZZKHEJJ-GFCCVEGCSA-N -1 0 351.834 2.621 20 10 FFCDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H]2CCOc3ccccc32)c1[O-] ZINC001227620842 1035642560 /nfs/dbraw/zinc/64/25/60/1035642560.db2.gz VFVQZFAPYGWIKN-LLVKDONJSA-N -1 0 364.375 2.930 20 10 FFCDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H](C(C)C)C(F)(F)F)c1[O-] ZINC001227620741 1035642685 /nfs/dbraw/zinc/64/26/85/1035642685.db2.gz RQJWZRYNBVYEMT-JTQLQIEISA-N -1 0 356.318 2.993 20 10 FFCDRM CCOC(=O)c1cnc2n1CCN(Cc1c([O-])cc(F)cc1F)[C@H]2C ZINC001140585707 1035670260 /nfs/dbraw/zinc/67/02/60/1035670260.db2.gz RNMXOWWCBZHBFG-JTQLQIEISA-N -1 0 351.353 2.620 20 10 FFCDRM Cn1cncc1CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2[O-])C1=O ZINC001277232094 1035676221 /nfs/dbraw/zinc/67/62/21/1035676221.db2.gz KJMXPETUVFKESP-IBGZPJMESA-N -1 0 374.872 2.546 20 10 FFCDRM [O-]c1cc(Br)cc(F)c1CN1CCC(F)(F)[C@@H](CO)C1 ZINC001233027386 1036268727 /nfs/dbraw/zinc/26/87/27/1036268727.db2.gz QTXPPLJVSLMJIE-MRVPVSSYSA-N -1 0 354.166 2.743 20 10 FFCDRM CCN1CC(Oc2c(O)c([O-])cc3oc(-c4ccc(O)cc4)cc(=O)c32)C1 ZINC001229700185 1036838992 /nfs/dbraw/zinc/83/89/92/1036838992.db2.gz ROCGSTWGFHUFQE-UHFFFAOYSA-N -1 0 369.373 2.660 20 10 FFCDRM COC(=O)N1CCCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235057801 1037329649 /nfs/dbraw/zinc/32/96/49/1037329649.db2.gz DANPLIZDPNUWHP-UHFFFAOYSA-N -1 0 361.211 2.568 20 10 FFCDRM CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C(=O)[O-])cc1O ZINC001231449195 1037588936 /nfs/dbraw/zinc/58/89/36/1037588936.db2.gz GMNARMPSNDSKLD-KKUMJFAQSA-N -1 0 362.426 2.578 20 10 FFCDRM O=C([O-])c1ccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c(O)c1 ZINC001231454126 1037595972 /nfs/dbraw/zinc/59/59/72/1037595972.db2.gz NVMGAWHYUIRTTO-UHFFFAOYSA-N -1 0 374.824 2.702 20 10 FFCDRM COc1ccc(CN2CCN(c3nccc(Cl)n3)CC2)c([O-])c1Cl ZINC001236812391 1038285746 /nfs/dbraw/zinc/28/57/46/1038285746.db2.gz UZEOACCZZCSYRL-UHFFFAOYSA-N -1 0 369.252 2.820 20 10 FFCDRM NC(=O)c1c([N-]S(=O)(=O)c2ccc(F)cc2F)sc2c1CCCC2 ZINC001255991116 1038294834 /nfs/dbraw/zinc/29/48/34/1038294834.db2.gz IWSPGYASIQIHJN-UHFFFAOYSA-N -1 0 372.418 2.805 20 10 FFCDRM [O-]c1cc(F)c(Br)cc1CN1CCN[C@@H](C(F)(F)F)C1 ZINC001236980389 1038394107 /nfs/dbraw/zinc/39/41/07/1038394107.db2.gz LOYKNYAJSCSLOB-LLVKDONJSA-N -1 0 357.145 2.630 20 10 FFCDRM O=S(=O)(N[C@@H]1COc2ccccc2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251387679 1039105774 /nfs/dbraw/zinc/10/57/74/1039105774.db2.gz FECXWIFJDZQWKV-NSHDSACASA-N -1 0 374.245 2.981 20 10 FFCDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@](F)(CO)CC1 ZINC001251398689 1039110728 /nfs/dbraw/zinc/11/07/28/1039110728.db2.gz SLMVKPSPEJFOIX-CYBMUJFWSA-N -1 0 372.245 2.574 20 10 FFCDRM CN(CCc1ccncc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251409430 1039114088 /nfs/dbraw/zinc/11/40/88/1039114088.db2.gz UBLCYQFOMLNTAG-UHFFFAOYSA-N -1 0 361.250 2.957 20 10 FFCDRM COc1ccnc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001251432688 1039128761 /nfs/dbraw/zinc/12/87/61/1039128761.db2.gz JCWJMPXNVZHFIY-UHFFFAOYSA-N -1 0 363.222 2.581 20 10 FFCDRM O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)C(F)(F)F)cccc21 ZINC001252267111 1039468275 /nfs/dbraw/zinc/46/82/75/1039468275.db2.gz JFPORHJVJSLMAI-UHFFFAOYSA-N -1 0 355.293 2.724 20 10 FFCDRM Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)c(C(=O)c2ccccc2)c1 ZINC001259000542 1039649252 /nfs/dbraw/zinc/64/92/52/1039649252.db2.gz LSESUTUBSZHAGT-UHFFFAOYSA-N -1 0 355.419 2.760 20 10 FFCDRM COc1cccc(OC)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260387845 1040569814 /nfs/dbraw/zinc/56/98/14/1040569814.db2.gz WUUYUINFRRDRKB-UHFFFAOYSA-N -1 0 351.409 2.509 20 10 FFCDRM C[C@@H](O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261073919 1040980278 /nfs/dbraw/zinc/98/02/78/1040980278.db2.gz YXGLYZPRIHYIDJ-MRVPVSSYSA-N -1 0 353.787 2.730 20 10 FFCDRM O=C(Cc1ccsc1)N1CC2(CN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001278606474 1041398354 /nfs/dbraw/zinc/39/83/54/1041398354.db2.gz ZPAXXJGFNNITLE-UHFFFAOYSA-N -1 0 364.417 2.619 20 10 FFCDRM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1O ZINC001237621465 1043277135 /nfs/dbraw/zinc/27/71/35/1043277135.db2.gz AHMDMGRIRXPFHG-ZIAGYGMSSA-N -1 0 374.840 2.645 20 10 FFCDRM [O-]c1c(Cl)cc(F)cc1CN1CCc2onc(Cn3cccn3)c2C1 ZINC001237813506 1043376164 /nfs/dbraw/zinc/37/61/64/1043376164.db2.gz LLVKRDSJVDSHGV-UHFFFAOYSA-N -1 0 362.792 2.976 20 10 FFCDRM COc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c([O-])c1Cl ZINC001279666962 1043431957 /nfs/dbraw/zinc/43/19/57/1043431957.db2.gz HFRKUMFBEHCVGZ-OKILXGFUSA-N -1 0 367.877 2.821 20 10 FFCDRM CCc1ncc(S(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC001309594643 1043448244 /nfs/dbraw/zinc/44/82/44/1043448244.db2.gz GAJYBLBYGOHHPE-ZDUSSCGKSA-N -1 0 367.540 2.989 20 10 FFCDRM O=C(NC1CC1)[C@H]1Cc2ccccc2CN1Cc1ccc(F)c(F)c1[O-] ZINC001308851774 1052507939 /nfs/dbraw/zinc/50/79/39/1052507939.db2.gz MOYQIUQYNPTIND-QGZVFWFLSA-N -1 0 358.388 2.876 20 10 FFCDRM O=C(NCc1ccc(O)cc1O)c1cc(Br)cc(F)c1[O-] ZINC001451762693 1059142482 /nfs/dbraw/zinc/14/24/82/1059142482.db2.gz SFSJCQRGKFRGRH-UHFFFAOYSA-N -1 0 356.147 2.635 20 10 FFCDRM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001462521886 1061657847 /nfs/dbraw/zinc/65/78/47/1061657847.db2.gz TUDGXBINCNYCHK-ZDUSSCGKSA-N -1 0 354.731 2.828 20 10 FFCDRM Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(F)c(F)c1[O-] ZINC001474607990 1065561287 /nfs/dbraw/zinc/56/12/87/1065561287.db2.gz YAYFGDUCHSBQSY-UHFFFAOYSA-N -1 0 356.394 2.841 20 10 FFCDRM CCCNC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2[O-])c2ccccc2O1 ZINC001560775907 1076298855 /nfs/dbraw/zinc/29/88/55/1076298855.db2.gz VZYJTALZIBUDMV-MRXNPFEDSA-N -1 0 362.376 2.964 20 10 FFCDRM CSc1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c(=O)[nH]1 ZINC001570027322 1077178121 /nfs/dbraw/zinc/17/81/21/1077178121.db2.gz FNRQRDWVCLKWNH-UHFFFAOYSA-N -1 0 360.222 2.847 20 10 FFCDRM COc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3C(=O)[O-])C2)cc1 ZINC001574216744 1077930039 /nfs/dbraw/zinc/93/00/39/1077930039.db2.gz GRFXMWVAOQWHJO-CYBMUJFWSA-N -1 0 355.394 2.794 20 10 FFCDRM O=C([O-])c1cncc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC001574574390 1078023305 /nfs/dbraw/zinc/02/33/05/1078023305.db2.gz PTCLUOMEOMKTFO-UHFFFAOYSA-N -1 0 372.450 2.655 20 10 FFCDRM O=C([O-])C1(NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCCC1 ZINC001574593593 1078029589 /nfs/dbraw/zinc/02/95/89/1078029589.db2.gz CLGKHLKSCAFRIS-UHFFFAOYSA-N -1 0 365.393 2.915 20 10 FFCDRM CC(C)[C@H](NC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C(=O)[O-] ZINC001588956021 1080281865 /nfs/dbraw/zinc/28/18/65/1080281865.db2.gz HQFZAUXXENUIED-AWEZNQCLSA-N -1 0 353.382 2.627 20 10 FFCDRM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001590137880 1081043147 /nfs/dbraw/zinc/04/31/47/1081043147.db2.gz AJJUZVRJRGEIJL-ZFWWWQNUSA-N -1 0 372.421 2.815 20 10 FFCDRM COC1CN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000839131228 746783021 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Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000262132001 601766654 /nfs/dbraw/zinc/76/66/54/601766654.db2.gz JXSPZTQWXUWVFZ-SFHVURJKSA-N -1 0 362.813 2.721 20 10 FFCDRM O=C([O-])c1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c[nH]1 ZINC000833298207 601789825 /nfs/dbraw/zinc/78/98/25/601789825.db2.gz PTOBVVGAGUNYME-YIXHJXPBSA-N -1 0 374.399 2.847 20 10 FFCDRM CN(C)c1ccc(CN(C(=O)NCCN(C(=O)[O-])C2CC2)C2CC2)cc1 ZINC000739617287 602082122 /nfs/dbraw/zinc/08/21/22/602082122.db2.gz GJWYSRZUMNIMLQ-UHFFFAOYSA-N -1 0 360.458 2.569 20 10 FFCDRM CC(C)N(CCCNC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000738847414 602415789 /nfs/dbraw/zinc/41/57/89/602415789.db2.gz ZQKQUCDOTYYASC-UHFFFAOYSA-N -1 0 362.474 2.865 20 10 FFCDRM CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)[O-])C3)cc2)CC1 ZINC000737751396 602640840 /nfs/dbraw/zinc/64/08/40/602640840.db2.gz IDGISXZVTZHSMA-QGZVFWFLSA-N -1 0 359.470 2.929 20 10 FFCDRM C[C@@H](C(=O)NCc1cccs1)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000738629579 602648605 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CCN(CC)c1ccc(CNC(=O)N[C@@](C)(CCF)C(=O)[O-])cc1F ZINC000849236585 749075961 /nfs/dbraw/zinc/07/59/61/749075961.db2.gz JORFEKWVNCCROJ-KRWDZBQOSA-N -1 0 357.401 2.674 20 10 FFCDRM COc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C(=O)[O-])cc1 ZINC000929043577 939800674 /nfs/dbraw/zinc/80/06/74/939800674.db2.gz ITKLCZHFKZAZCE-ACJLOTCBSA-N -1 0 371.437 2.947 20 10 FFCDRM CCOc1ccc(N2CCN(C(=O)[C@H](C(=O)[O-])C3CCCC3)CC2)cc1 ZINC001592663347 951345034 /nfs/dbraw/zinc/34/50/34/951345034.db2.gz OFQKLVGJFBGWGH-GOSISDBHSA-N -1 0 360.454 2.625 20 10 FFCDRM CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000083237085 957820574 /nfs/dbraw/zinc/82/05/74/957820574.db2.gz OEHPFKRUFMFZGH-DVVUODLYSA-N -1 0 351.424 2.709 20 10 FFCDRM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001594353243 958380023 /nfs/dbraw/zinc/38/00/23/958380023.db2.gz LVZBBJWLJASSCO-GOSISDBHSA-N -1 0 362.813 2.721 20 10 FFCDRM COc1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)ccc1F ZINC000207416695 959663360 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COC(=O)[C@@H]1CC(F)(F)CN1Cc1c([O-])cc(Br)cc1F ZINC001233031870 1036271848 /nfs/dbraw/zinc/27/18/48/1036271848.db2.gz PDKDUFPWVCIMJG-JTQLQIEISA-N -1 0 368.149 2.676 20 10 FFCDRM COC[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCN1C(=O)OC(C)(C)C ZINC001233077076 1036322474 /nfs/dbraw/zinc/32/24/74/1036322474.db2.gz ZPKXWQVDSZRVSR-CYBMUJFWSA-N -1 0 372.412 2.738 20 10 FFCDRM CC[C@H]1COCCN1Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233308304 1036515079 /nfs/dbraw/zinc/51/50/79/1036515079.db2.gz KZUOFZLYMYZCSD-LBPRGKRZSA-N -1 0 358.232 2.552 20 10 FFCDRM O=C1COCC2(CN(Cc3cc(Cl)cc(F)c3[O-])C2)N1C1CCCC1 ZINC001277386769 1036669502 /nfs/dbraw/zinc/66/95/02/1036669502.db2.gz AJVKQZIEKUFLLG-UHFFFAOYSA-N -1 0 368.836 2.541 20 10 FFCDRM COC(=O)[C@@H](C)Oc1c(O)c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229701358 1036839500 /nfs/dbraw/zinc/83/95/00/1036839500.db2.gz VYRZNDLLXKPULL-SECBINFHSA-N -1 0 372.329 2.517 20 10 FFCDRM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c(O)c(O)c1)C1=CC=C[CH]1 ZINC001229788817 1036898441 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O=S(=O)(NCc1cccc(F)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251433043 1039128513 /nfs/dbraw/zinc/12/85/13/1039128513.db2.gz YRVKBWBEXXTIEK-UHFFFAOYSA-N -1 0 351.186 2.712 20 10 FFCDRM C[C@H]1CCc2sc([N-]S(=O)(=O)c3ccc(F)cc3)c(C(N)=O)c2C1 ZINC001251615652 1039207048 /nfs/dbraw/zinc/20/70/48/1039207048.db2.gz SWXITJUSZLOCKZ-VIFPVBQESA-N -1 0 368.455 2.912 20 10 FFCDRM O=c1oc2cc([O-])c(O)cc2cc1-c1nnc(Cc2cccc(F)c2)o1 ZINC001258499844 1039403529 /nfs/dbraw/zinc/40/35/29/1039403529.db2.gz XKMJYNZVPRHPDE-UHFFFAOYSA-N -1 0 354.293 2.984 20 10 FFCDRM NC(=O)c1c2c(sc1[N-]S(=O)(=O)c1cccc3cnccc31)CCC2 ZINC001259151080 1039744308 /nfs/dbraw/zinc/74/43/08/1039744308.db2.gz BOYQINNRHRSMHX-UHFFFAOYSA-N -1 0 373.459 2.685 20 10 FFCDRM NC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc3c(c1)CCC3)CCC2 ZINC001259855538 1040248153 /nfs/dbraw/zinc/24/81/53/1040248153.db2.gz LCLKCYSXGSXFKU-UHFFFAOYSA-N -1 0 362.476 2.625 20 10 FFCDRM Cc1ccccc1CS(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCC2 ZINC001260016054 1040353565 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FFCDRM O=[N+]([O-])c1cc(C[NH2+]C2(c3nnn[n-]3)CCCC2)ccc1N1CCCCC1 ZINC000735407773 1048542938 /nfs/dbraw/zinc/54/29/38/1048542938.db2.gz PCBLKDYBMQTAJE-UHFFFAOYSA-N -1 0 371.445 2.657 20 10 FFCDRM COc1c(O)c(CN[C@H](C)C(=O)OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000848922309 1055370751 /nfs/dbraw/zinc/37/07/51/1055370751.db2.gz OSGXXPLVAVLGQT-GFCCVEGCSA-N -1 0 360.366 2.531 20 10 FFCDRM C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)c1ccccc1O ZINC001475585976 1061150536 /nfs/dbraw/zinc/15/05/36/1061150536.db2.gz QSDHWBJXGHHJNM-BGJPBQGDSA-N -1 0 372.443 2.584 20 10 FFCDRM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000765041547 1061492811 /nfs/dbraw/zinc/49/28/11/1061492811.db2.gz YIANLFPQEDMWPK-FLIBITNWSA-N -1 0 373.390 2.600 20 10 FFCDRM O=C([O-])c1ccc(/C=C/C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC001574799670 1078083039 /nfs/dbraw/zinc/08/30/39/1078083039.db2.gz JIBPRBRRAKEITC-XAVKZTDYSA-N -1 0 371.389 2.904 20 10 FFCDRM COc1ccc(C(=O)N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC001474506712 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ZINC000874967766 1013938221 /nfs/dbraw/zinc/93/82/21/1013938221.db2.gz MFLRCDSWEFCXEX-IBGZPJMESA-N -1 0 370.449 2.922 20 10 FFCDRM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001603287712 972537274 /nfs/dbraw/zinc/53/72/74/972537274.db2.gz QBHDSNNMJKCTCR-UGSOOPFHSA-N -1 0 368.389 2.712 20 10 FFCDRM CN(CCCC(=O)[O-])C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001604157775 972574599 /nfs/dbraw/zinc/57/45/99/972574599.db2.gz WHXQXWTYIJHRNR-UHFFFAOYSA-N -1 0 353.382 2.725 20 10 FFCDRM COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C(=O)[O-])n[nH]3)ccc21 ZINC001604630132 973763360 /nfs/dbraw/zinc/76/33/60/973763360.db2.gz YMKJHMBMBAEYAZ-UHFFFAOYSA-N -1 0 356.382 2.578 20 10 FFCDRM CCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001603869600 974373189 /nfs/dbraw/zinc/37/31/89/974373189.db2.gz YRVXOYVYURFPRF-UHFFFAOYSA-N -1 0 354.406 2.746 20 10 FFCDRM O=C([O-])C1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC2(CCC2)C1 ZINC000911226868 982181107 /nfs/dbraw/zinc/18/11/07/982181107.db2.gz MMLCHFLDUQYWTG-UHFFFAOYSA-N -1 0 374.506 2.891 20 10 FFCDRM COc1ccc(C[C@@H](C)C(=O)N(CC(=O)[O-])Cc2ccccc2O)cc1 ZINC000911487410 982254311 /nfs/dbraw/zinc/25/43/11/982254311.db2.gz SVIJPEGWEBCLKR-CQSZACIVSA-N -1 0 357.406 2.693 20 10 FFCDRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)nn1[C@@H](C)C1CC1 ZINC000911489117 982255461 /nfs/dbraw/zinc/25/54/61/982255461.db2.gz PHUQRUUZGKHECS-ZDUSSCGKSA-N -1 0 357.410 2.595 20 10 FFCDRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000911228884 982302812 /nfs/dbraw/zinc/30/28/12/982302812.db2.gz TWVUKVQINLAGIH-MCIONIFRSA-N -1 0 366.433 2.556 20 10 FFCDRM CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001596354449 983819485 /nfs/dbraw/zinc/81/94/85/983819485.db2.gz RIAPDVQHUSDDQV-UHFFFAOYSA-N -1 0 367.199 2.843 20 10 FFCDRM C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1O ZINC001599903069 984876381 /nfs/dbraw/zinc/87/63/81/984876381.db2.gz VDWGCWISELOPRH-VIFPVBQESA-N -1 0 355.799 2.783 20 10 FFCDRM C[C@@H]1CN(c2ccc(CNc3cnc(C(=O)[O-])cn3)cc2F)C[C@@H](C)O1 ZINC001594576877 986423381 /nfs/dbraw/zinc/42/33/81/986423381.db2.gz HVHVBDMMPJAFAC-VXGBXAGGSA-N -1 0 360.389 2.540 20 10 FFCDRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001590397886 989928790 /nfs/dbraw/zinc/92/87/90/989928790.db2.gz WLXLJBGMOZQZGF-TZMCWYRMSA-N -1 0 355.818 2.662 20 10 FFCDRM CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001598519554 992662903 /nfs/dbraw/zinc/66/29/03/992662903.db2.gz YGNHOZPOHRBMTC-RWQQGDIJSA-N -1 0 371.481 2.928 20 10 FFCDRM COc1ccc(N(C)CCN(C)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001599584511 993594459 /nfs/dbraw/zinc/59/44/59/993594459.db2.gz VYWRPAFPSZLDBA-UHFFFAOYSA-N -1 0 359.382 2.874 20 10 FFCDRM COc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3F)CC2)c(OC)c1 ZINC001599586774 993624331 /nfs/dbraw/zinc/62/43/31/993624331.db2.gz WALICLFZFOBFKE-UHFFFAOYSA-N -1 0 374.412 2.863 20 10 FFCDRM COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@H]2CC(=O)[O-])CCCC1 ZINC001599631978 994231906 /nfs/dbraw/zinc/23/19/06/994231906.db2.gz KQAMKWBQQSZJRV-AWEZNQCLSA-N -1 0 370.449 2.994 20 10 FFCDRM C[C@@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593330637 994895502 /nfs/dbraw/zinc/89/55/02/994895502.db2.gz MYCRTKHZQDQKBG-LLVKDONJSA-N -1 0 366.414 2.629 20 10 FFCDRM COc1ccc(N2CC[C@@H](CNc3ccc(C(=O)[O-])c(OC)n3)C2)cc1 ZINC000844212745 997729751 /nfs/dbraw/zinc/72/97/51/997729751.db2.gz NJZZVUWZFRDQBO-ZDUSSCGKSA-N -1 0 357.410 2.735 20 10 FFCDRM O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)c(F)cc3[O-])C2)O1 ZINC001144307743 998304452 /nfs/dbraw/zinc/30/44/52/998304452.db2.gz HDQDMPUPRHLNCL-OAHLLOKOSA-N -1 0 358.207 2.965 20 10 FFCDRM COc1ccc(-n2c(C)cc(C(=O)OCC(=O)CCC(=O)[O-])c2C)cc1 ZINC001599473463 998487731 /nfs/dbraw/zinc/48/77/31/998487731.db2.gz GCBAMVXLAOWWIV-UHFFFAOYSA-N -1 0 359.378 2.693 20 10 FFCDRM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cccc2cccnc21 ZINC000734741169 999322074 /nfs/dbraw/zinc/32/20/74/999322074.db2.gz GBQATFWCJOAIOZ-UHFFFAOYSA-N -1 0 369.446 2.872 20 10 FFCDRM NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Cl)cc3[O-])c2)CC1 ZINC000740128275 999663151 /nfs/dbraw/zinc/66/31/51/999663151.db2.gz NSCLKBXUGIMNAC-UHFFFAOYSA-N -1 0 373.840 3.000 20 10 FFCDRM COc1ccc2c(c1)c1c(n2CC(=O)[N-]OC[C@H]2CCOC2)CCCC1 ZINC000845996224 1000195316 /nfs/dbraw/zinc/19/53/16/1000195316.db2.gz NFTXOOSVUYGNAE-AWEZNQCLSA-N -1 0 358.438 2.613 20 10 FFCDRM O=C([O-])c1cnn2c1[nH]c(CN1CC3(CCC3)c3ccccc31)cc2=O ZINC000846257164 1000246133 /nfs/dbraw/zinc/24/61/33/1000246133.db2.gz AEOQKSSERUAIQE-UHFFFAOYSA-N -1 0 350.378 2.575 20 10 FFCDRM C[C@@H]1CC[N@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H](c2ccco2)C1 ZINC000846255899 1000246584 /nfs/dbraw/zinc/24/65/84/1000246584.db2.gz FYERVEHBTUZMRN-BXUZGUMPSA-N -1 0 356.382 2.699 20 10 FFCDRM CC(C)CO[C@@H](C)c1noc(CN(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000846279614 1000251940 /nfs/dbraw/zinc/25/19/40/1000251940.db2.gz HRGAQBWBSZMMKO-ZDUSSCGKSA-N -1 0 363.414 2.903 20 10 FFCDRM CC(=O)c1cc(F)cc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)c1O ZINC000846280101 1000251959 /nfs/dbraw/zinc/25/19/59/1000251959.db2.gz JFMORYXKAROCCB-UHFFFAOYSA-N -1 0 361.369 2.829 20 10 FFCDRM Cc1cc(C)cc(OC[C@H](O)CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000846279385 1000252363 /nfs/dbraw/zinc/25/23/63/1000252363.db2.gz BDSHHAPTRJGIPH-QGZVFWFLSA-N -1 0 359.422 2.643 20 10 FFCDRM O=C(Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O)c1ccc[nH]c1=O ZINC001147184986 1000855237 /nfs/dbraw/zinc/85/52/37/1000855237.db2.gz CDLDMPWDMGUNPF-UHFFFAOYSA-N -1 0 360.325 2.521 20 10 FFCDRM CCCC[C@@](CC)(NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)C(=O)OCC ZINC001147889249 1000993174 /nfs/dbraw/zinc/99/31/74/1000993174.db2.gz CVMNGNWQTJRWLK-HXUWFJFHSA-N -1 0 373.453 2.798 20 10 FFCDRM Cc1nc(Cl)c(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c(Cl)n1 ZINC001147878306 1001000509 /nfs/dbraw/zinc/00/05/09/1001000509.db2.gz AHSQFFUGVPDIGV-UHFFFAOYSA-N -1 0 364.192 2.823 20 10 FFCDRM CCOc1ccc(S(=O)(=O)Nc2c(F)cc(O)cc2F)cc1C(=O)[O-] ZINC001192648231 1004218498 /nfs/dbraw/zinc/21/84/98/1004218498.db2.gz KHONQVKNVLQXEN-UHFFFAOYSA-N -1 0 373.333 2.568 20 10 FFCDRM CN(C)c1ccc(-c2nc(C(=O)NCc3ncccc3O)cs2)cc1 ZINC001193175460 1004385326 /nfs/dbraw/zinc/38/53/26/1004385326.db2.gz GQVGCGFFONRXFD-UHFFFAOYSA-N -1 0 354.435 2.907 20 10 FFCDRM Cc1cccc(CNS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1O ZINC001194034608 1004634787 /nfs/dbraw/zinc/63/47/87/1004634787.db2.gz NZCNCXUJCNCYFM-UHFFFAOYSA-N -1 0 373.789 2.670 20 10 FFCDRM O=C(N[C@@H]1SC(=O)[N-]C1=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278464 1004929858 /nfs/dbraw/zinc/92/98/58/1004929858.db2.gz GOOAYFDNBCDPRS-FZFLATATSA-N -1 0 356.363 2.847 20 10 FFCDRM CCN(CC)c1ccc(CNC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000851692558 1005906501 /nfs/dbraw/zinc/90/65/01/1005906501.db2.gz BRIXZBDAPMQDEF-UHFFFAOYSA-N -1 0 356.422 2.926 20 10 FFCDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000852942250 1006234362 /nfs/dbraw/zinc/23/43/62/1006234362.db2.gz GSURRYKMBAJKMD-UHFFFAOYSA-N -1 0 356.422 2.878 20 10 FFCDRM O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)c3nccs3)cccc21 ZINC001187847683 1006271424 /nfs/dbraw/zinc/27/14/24/1006271424.db2.gz MWPDJSUMZNUWLS-UHFFFAOYSA-N -1 0 370.411 2.719 20 10 FFCDRM COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)[C@H](C)c2ccccc2)cc1 ZINC000853005616 1006271992 /nfs/dbraw/zinc/27/19/92/1006271992.db2.gz JROXTUIVSNJWJS-HOTGVXAUSA-N -1 0 370.449 2.895 20 10 FFCDRM COC(=O)CCS(=O)(=O)[N-]c1ccc(C)cc1C(=O)c1ccccc1 ZINC001188393739 1006544231 /nfs/dbraw/zinc/54/42/31/1006544231.db2.gz MPFFGBMZNLAHCA-UHFFFAOYSA-N -1 0 361.419 2.531 20 10 FFCDRM N[C@]1(C(F)(F)F)CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001206243946 1032198050 /nfs/dbraw/zinc/19/80/50/1032198050.db2.gz HNQUGHZEIYJXIK-LLVKDONJSA-N -1 0 357.145 2.759 20 10 FFCDRM COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190506226 1007664745 /nfs/dbraw/zinc/66/47/45/1007664745.db2.gz KGDKICAQKYKZTM-UHFFFAOYSA-N -1 0 365.382 2.996 20 10 FFCDRM CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000817881595 1007794988 /nfs/dbraw/zinc/79/49/88/1007794988.db2.gz QCFDIXABHAVOMM-UHFFFAOYSA-N -1 0 370.405 2.858 20 10 FFCDRM COc1ccc(N2CC[C@H](CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)cc1 ZINC000819586165 1008184925 /nfs/dbraw/zinc/18/49/25/1008184925.db2.gz KVYILLYRRRSTGU-CYBMUJFWSA-N -1 0 371.393 2.565 20 10 FFCDRM Cc1cc(CNC(=O)c2cc(C(=O)[O-])nn2C)c(C)n1-c1cccc(C)c1 ZINC000864175291 1010412597 /nfs/dbraw/zinc/41/25/97/1010412597.db2.gz OAFZJRRPAXIVJC-UHFFFAOYSA-N -1 0 366.421 2.764 20 10 FFCDRM CCc1ccccc1-n1cc([O-])c(C(=O)NCCc2ccc(O)c(O)c2)n1 ZINC000122905749 1012086158 /nfs/dbraw/zinc/08/61/58/1012086158.db2.gz IFJHAABMPIAYHJ-UHFFFAOYSA-N -1 0 367.405 2.524 20 10 FFCDRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c(C)n1-c1ccccc1C ZINC001123400800 1023780776 /nfs/dbraw/zinc/78/07/76/1023780776.db2.gz YXEOLMVLCDFCGP-FUHWJXTLSA-N -1 0 370.449 2.870 20 10 FFCDRM CN(C)C(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373292 1026066101 /nfs/dbraw/zinc/06/61/01/1026066101.db2.gz WQDBILJFDMUQPI-LBPRGKRZSA-N -1 0 361.667 2.861 20 10 FFCDRM CC(=O)N1CCN(c2cccc(NC(=O)c3c([O-])cccc3Cl)c2)CC1 ZINC000781271482 1029117107 /nfs/dbraw/zinc/11/71/07/1029117107.db2.gz XUBBZERWEBQYPL-UHFFFAOYSA-N -1 0 373.840 2.966 20 10 FFCDRM O=C(Cc1cccnc1)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001142147858 1030091572 /nfs/dbraw/zinc/09/15/72/1030091572.db2.gz QVJHUNIAQXGWHF-UHFFFAOYSA-N -1 0 358.353 2.744 20 10 FFCDRM CC(C)C(=O)N1CCC[C@@]2(CN(Cc3cc(F)c(F)cc3O)CCO2)C1 ZINC001142517266 1030567189 /nfs/dbraw/zinc/56/71/89/1030567189.db2.gz GYDSXZWEAMLGFZ-LJQANCHMSA-N -1 0 368.424 2.520 20 10 FFCDRM C[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@H]1O ZINC001203564491 1030768048 /nfs/dbraw/zinc/76/80/48/1030768048.db2.gz JXWYRFJVYXHDAG-WRWORJQWSA-N -1 0 365.065 2.730 20 10 FFCDRM CN1CC[C@@H](Oc2c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227504838 1035588063 /nfs/dbraw/zinc/58/80/63/1035588063.db2.gz LTXMCRRJJSFFFL-CYBMUJFWSA-N -1 0 353.374 2.954 20 10 FFCDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H](C(C)=O)c2ccccc2)c1[O-] ZINC001227621848 1035641785 /nfs/dbraw/zinc/64/17/85/1035641785.db2.gz IHGUPQRIHTUKCE-LBPRGKRZSA-N -1 0 364.375 2.736 20 10 FFCDRM COC(=O)c1sc(C(=O)OC)c(O[C@H]2Cc3ccncc3[C@H]2C)c1[O-] ZINC001227623603 1035641816 /nfs/dbraw/zinc/64/18/16/1035641816.db2.gz TVKNTLCSKNJJAE-KCJUWKMLSA-N -1 0 363.391 2.529 20 10 FFCDRM COc1cc(OC2CCOCC2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227661741 1035659973 /nfs/dbraw/zinc/65/99/73/1035659973.db2.gz YPMZHTYYNLWCIP-UHFFFAOYSA-N -1 0 358.346 2.924 20 10 FFCDRM O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583648 1035663420 /nfs/dbraw/zinc/66/34/20/1035663420.db2.gz PTCYSTAFLNGIPE-CQSZACIVSA-N -1 0 353.390 2.719 20 10 FFCDRM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@H](n2cncn2)C1 ZINC001233031550 1036270487 /nfs/dbraw/zinc/27/04/87/1036270487.db2.gz GKPMMPDKDMOHSU-LLVKDONJSA-N -1 0 355.211 2.722 20 10 FFCDRM O=c1c(OC2CC2)c(-c2ccc(O)c(O)c2)oc2c(O)c([O-])cc(O)c12 ZINC001234794366 1037183226 /nfs/dbraw/zinc/18/32/26/1037183226.db2.gz KWZFNTOVBMZIHR-UHFFFAOYSA-N -1 0 358.302 2.529 20 10 FFCDRM O=C(C1CCC1)N1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235068442 1037338750 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