smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@@]1(C)[C@@H](C)C(=O)CC[C@@H]1C ZINC000105153068 291271425 /nfs/dbraw/zinc/27/14/25/291271425.db2.gz XFTFIFNAWKMLKL-XWDNAECJSA-N -1 0 422.949 4.753 40 0 biogenic,in-vitro HJABRM O=C([O-])c1ccc(CN(C(=O)c2ccc3nc(Cl)sc3c2)C2CCCC2)o1 ZINC000225980661 526365049 /nfs/dbraw/zinc/36/50/49/526365049.db2.gz KHIWRNNBLSLNTB-UHFFFAOYSA-N -1 0 404.875 4.826 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)cc1 ZINC000408545702 557367256 /nfs/dbraw/zinc/36/72/56/557367256.db2.gz MRDLAHFTEOJHTC-UHFFFAOYSA-N -1 0 418.877 4.841 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2Cl)c1 ZINC000408548428 557375109 /nfs/dbraw/zinc/37/51/09/557375109.db2.gz RKXJTWTWEFVYGO-UHFFFAOYSA-N -1 0 420.962 4.902 40 0 HJABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000408598209 557508416 /nfs/dbraw/zinc/50/84/16/557508416.db2.gz YAESSKVMHJNMKW-UHFFFAOYSA-N -1 0 400.205 4.822 40 0 HJABRM O=C([O-])c1cccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000408608353 557532013 /nfs/dbraw/zinc/53/20/13/557532013.db2.gz LHAXDMONUWRVPB-UHFFFAOYSA-N -1 0 410.857 4.668 40 0 HJABRM O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000408626798 557559791 /nfs/dbraw/zinc/55/97/91/557559791.db2.gz IKMFWUZSBOSPHQ-ZZXKWVIFSA-N -1 0 401.702 4.879 40 0 HJABRM CCc1nnc(S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)[O-])o1 ZINC000408631383 557570046 /nfs/dbraw/zinc/57/00/46/557570046.db2.gz IGNNJBPPRFYDJD-ZROIWOOFSA-N -1 0 421.272 4.872 40 0 HJABRM Cn1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c2ccccc21 ZINC000408631716 557570086 /nfs/dbraw/zinc/57/00/86/557570086.db2.gz BAUWWLQGQFCJHM-YVLHZVERSA-N -1 0 410.886 4.835 40 0 HJABRM CCCCCCC(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)[O-])c1ccccc1Cl ZINC000005618939 557665553 /nfs/dbraw/zinc/66/55/53/557665553.db2.gz QSKPZKQBDISPJO-MOPGFXCFSA-N -1 0 413.967 4.633 40 0 HJABRM CC(C)c1ccc(OCC(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000005977316 557683173 /nfs/dbraw/zinc/68/31/73/557683173.db2.gz JLWDUKHNHBOFGJ-UHFFFAOYSA-N -1 0 413.326 4.714 40 0 HJABRM O=C1[N-]C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)N1 ZINC000408743014 557809164 /nfs/dbraw/zinc/80/91/64/557809164.db2.gz YKWUOECSMYQYPS-JWGURIENSA-N -1 0 405.457 4.992 40 0 HJABRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020029839 558323988 /nfs/dbraw/zinc/32/39/88/558323988.db2.gz NQJTVRCEVOMAJI-UHFFFAOYSA-N -1 0 413.339 4.842 40 0 HJABRM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2s1 ZINC000020029889 558323996 /nfs/dbraw/zinc/32/39/96/558323996.db2.gz NGLABDSRCNNASJ-UHFFFAOYSA-N -1 0 416.307 4.796 40 0 HJABRM Cc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(C(=O)[O-])c1O ZINC000020140268 558338945 /nfs/dbraw/zinc/33/89/45/558338945.db2.gz XYCJBISGXIKOHZ-UHFFFAOYSA-N -1 0 405.328 4.930 40 0 HJABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000020144674 558339745 /nfs/dbraw/zinc/33/97/45/558339745.db2.gz WBDQWYVKGSVVDD-QMMMGPOBSA-N -1 0 418.660 4.760 40 0 HJABRM CC(C)c1ccc(-c2nnc(NC(=O)c3cccc4cccc(C(=O)[O-])c43)o2)cc1 ZINC000020495981 558380407 /nfs/dbraw/zinc/38/04/07/558380407.db2.gz ARYQCXLQAUTOIY-UHFFFAOYSA-N -1 0 401.422 4.964 40 0 HJABRM C[C@@H](OC(C)(C)C)[C@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038138676 558810797 /nfs/dbraw/zinc/81/07/97/558810797.db2.gz VIUVLZHFMIFLHU-QVKFZJNVSA-N -1 0 411.498 4.524 40 0 HJABRM CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C(C)C)c(C)cc3OC)sc2c1 ZINC000072414483 558978231 /nfs/dbraw/zinc/97/82/31/558978231.db2.gz XFBDJFGAGOBWEC-UHFFFAOYSA-N -1 0 420.556 4.936 40 0 HJABRM O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1COc1ccccc1 ZINC000585266896 559112847 /nfs/dbraw/zinc/11/28/47/559112847.db2.gz ULKUNWDCHJRGHL-HXUWFJFHSA-N -1 0 409.873 4.749 40 0 HJABRM COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1OC ZINC000408999040 560663484 /nfs/dbraw/zinc/66/34/84/560663484.db2.gz RESLALLENNWDEN-YGOYIFOWSA-N -1 0 401.462 4.873 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)c(C)c1 ZINC000409382335 560717350 /nfs/dbraw/zinc/71/73/50/560717350.db2.gz RYUMQWIFNBPRFE-UHFFFAOYSA-N -1 0 420.962 4.820 40 0 HJABRM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000409409261 560722796 /nfs/dbraw/zinc/72/27/96/560722796.db2.gz GODSOAHJGCJDFM-XNTDXEJSSA-N -1 0 406.507 4.756 40 0 HJABRM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000005392634 560737497 /nfs/dbraw/zinc/73/74/97/560737497.db2.gz XGDWSOPFBYDJKJ-UHFFFAOYSA-N -1 0 402.299 4.751 40 0 HJABRM O=C([O-])c1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000106717727 560745773 /nfs/dbraw/zinc/74/57/73/560745773.db2.gz OXTQPPNUXMUKEL-NVNXTCNLSA-N -1 0 408.262 4.928 40 0 HJABRM Cc1ccc(COc2c(Br)cc(C(=O)[O-])cc2Br)cc1 ZINC000007603892 560751833 /nfs/dbraw/zinc/75/18/33/560751833.db2.gz WHPHQQMKKKYNJQ-UHFFFAOYSA-N -1 0 400.066 4.797 40 0 HJABRM O=C([O-])c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000007603983 560751943 /nfs/dbraw/zinc/75/19/43/560751943.db2.gz GNQFCCFUKNGSPH-UHFFFAOYSA-N -1 0 404.029 4.628 40 0 HJABRM CC(C)=C1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000004179848 560893554 /nfs/dbraw/zinc/89/35/54/560893554.db2.gz IVSADFKIURGWBT-JFTQMJAMSA-N -1 0 400.475 4.581 40 0 HJABRM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1C ZINC000218802731 568483729 /nfs/dbraw/zinc/48/37/29/568483729.db2.gz YAQSUPHJLSCCPT-INIZCTEOSA-N -1 0 414.552 4.657 40 0 HJABRM COc1ccc(N(CC(=O)Nc2c(C)cccc2C)c2n[n-]c(=S)s2)cc1 ZINC000008415260 568500475 /nfs/dbraw/zinc/50/04/75/568500475.db2.gz QSMXPGLITQSWIS-UHFFFAOYSA-N -1 0 400.529 4.603 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)Cc2ccccc2)cc1 ZINC000223752929 568558128 /nfs/dbraw/zinc/55/81/28/568558128.db2.gz UIBFHHYNTOCBRW-UHFFFAOYSA-N -1 0 422.550 4.547 40 0 HJABRM O=C([O-])[C@H](Cc1ccc(I)cc1)Sc1ccc(Cl)cc1 ZINC000225069428 568612356 /nfs/dbraw/zinc/61/23/56/568612356.db2.gz JEEHZTOZTFEXOW-AWEZNQCLSA-N -1 0 418.683 4.733 40 0 HJABRM CCc1nc2ccc(NC(=S)N[C@H](CC(=O)[O-])c3ccc(F)cc3)cc2s1 ZINC000225229546 568624690 /nfs/dbraw/zinc/62/46/90/568624690.db2.gz HFVVTVGJASSTPK-OAHLLOKOSA-N -1 0 403.504 4.500 40 0 HJABRM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc21 ZINC000225243387 568625293 /nfs/dbraw/zinc/62/52/93/568625293.db2.gz ZFHAJDWJWIVXSB-UHFFFAOYSA-N -1 0 422.506 4.579 40 0 HJABRM C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)S1 ZINC000260772293 568738494 /nfs/dbraw/zinc/73/84/94/568738494.db2.gz NGJCAHJBVGQSGX-SMHULIPUSA-N -1 0 405.479 4.629 40 0 HJABRM O=C([O-])c1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000000977004 568759718 /nfs/dbraw/zinc/75/97/18/568759718.db2.gz JSFNAZLAZZIAAM-UHFFFAOYSA-N -1 0 415.474 4.726 40 0 HJABRM COc1ccccc1Cc1cnc([C@@H]2CCCCN2Cc2cccc(C(=O)[O-])c2)o1 ZINC000257207108 568778141 /nfs/dbraw/zinc/77/81/41/568778141.db2.gz BGJMHVGFPGVDTR-NRFANRHFSA-N -1 0 406.482 4.699 40 0 HJABRM CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257232148 568785275 /nfs/dbraw/zinc/78/52/75/568785275.db2.gz GJPONXHKVKZAFT-OAHLLOKOSA-N -1 0 406.935 4.795 40 0 HJABRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Oc1ccc(Cl)cc1 ZINC000257263610 568793826 /nfs/dbraw/zinc/79/38/26/568793826.db2.gz LQSXCQBBXLIFPX-UHFFFAOYSA-N -1 0 422.289 4.904 40 0 HJABRM CCCCC(=O)N1CCC[C@@H]1c1nc(COc2ccccc2Cl)c(C(=O)[O-])s1 ZINC000257271141 568795958 /nfs/dbraw/zinc/79/59/58/568795958.db2.gz MXAHJFVAKMEQFZ-OAHLLOKOSA-N -1 0 422.934 4.927 40 0 HJABRM CC(C)CC(=O)N1CCC[C@@H]1c1nc(COc2ccccc2Cl)c(C(=O)[O-])s1 ZINC000257303050 568805223 /nfs/dbraw/zinc/80/52/23/568805223.db2.gz SFOOOXIEIGRZEV-OAHLLOKOSA-N -1 0 422.934 4.783 40 0 HJABRM O=C([O-])c1ccc(-c2ccc(CN3CCCC[C@@H]3c3nc4ccccc4[nH]3)o2)cc1O ZINC000257304316 568805735 /nfs/dbraw/zinc/80/57/35/568805735.db2.gz SLAGOFNPLGHBPZ-HXUWFJFHSA-N -1 0 417.465 4.954 40 0 HJABRM CCc1nc(SC(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000007342572 569337152 /nfs/dbraw/zinc/33/71/52/569337152.db2.gz OJBLSECWGAVUBL-UNOMPAQXSA-N -1 0 404.495 4.588 40 0 HJABRM O=C([O-])/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)Sc1nc2ccccc2o1 ZINC000007365549 569337445 /nfs/dbraw/zinc/33/74/45/569337445.db2.gz LPXGBOIZXJKCQO-LDADJPATSA-N -1 0 411.439 4.554 40 0 HJABRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1C(C)C ZINC000007495245 569337623 /nfs/dbraw/zinc/33/76/23/569337623.db2.gz JYGVTEGHJBFVED-KGENOOAVSA-N -1 0 419.525 4.622 40 0 HJABRM CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)[O-])o1 ZINC000007508303 569337692 /nfs/dbraw/zinc/33/76/92/569337692.db2.gz XLDBYYRAGPPTDN-BOPFTXTBSA-N -1 0 400.431 4.568 40 0 HJABRM CCc1nnc(S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)[O-])o1 ZINC000007508559 569337728 /nfs/dbraw/zinc/33/77/28/569337728.db2.gz QNAUBPVGVILPBB-BOPFTXTBSA-N -1 0 400.431 4.568 40 0 HJABRM COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])ccc1C ZINC000007603227 569337778 /nfs/dbraw/zinc/33/77/78/569337778.db2.gz YZGKOIPIDYYZOZ-YBEGLDIGSA-N -1 0 402.859 4.925 40 0 HJABRM N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000022747518 569349771 /nfs/dbraw/zinc/34/97/71/569349771.db2.gz CXNLBRNATJQUKO-CPNJWEJPSA-N -1 0 416.408 4.649 40 0 HJABRM O=C([O-])/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nc2ccccc2[nH]1 ZINC000051125202 569352231 /nfs/dbraw/zinc/35/22/31/569352231.db2.gz JQUXRTAVYLKBIF-WQRHYEAKSA-N -1 0 407.407 4.949 40 0 HJABRM CCOc1cccc2sc([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)nc21 ZINC000141523946 569354689 /nfs/dbraw/zinc/35/46/89/569354689.db2.gz SADXNOSMBUKOQI-UHFFFAOYSA-N -1 0 417.339 4.944 40 0 HJABRM CCn1c(S/C(=C\c2cccc(O)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000209172217 569355831 /nfs/dbraw/zinc/35/58/31/569355831.db2.gz HBXZZDLNIZZGKT-WJDWOHSUSA-N -1 0 401.875 4.542 40 0 HJABRM Cc1nnc(S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)[O-])o1 ZINC000211536293 569356045 /nfs/dbraw/zinc/35/60/45/569356045.db2.gz VNJFWRYJPNPIDX-ZSOIEALJSA-N -1 0 407.245 4.618 40 0 HJABRM COc1ccc(OC)c(-c2nc(Nc3cccc4ccccc43)sc2CC(=O)[O-])c1 ZINC000408889945 571309305 /nfs/dbraw/zinc/30/93/05/571309305.db2.gz LNXISVVLJPCZMD-UHFFFAOYSA-N -1 0 420.490 5.351 40 0 HJABRM C/C(=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013432975 291271440 /nfs/dbraw/zinc/27/14/40/291271440.db2.gz XFTFIFNAWKMLKL-MIIFNERISA-N -1 0 422.949 4.753 40 0 biogenic,in-vitro HJABRM O=C([O-])COc1cc(NC(=O)c2ccccc2Cl)ccc1-c1nc2ccccc2o1 ZINC000020158309 527616640 /nfs/dbraw/zinc/61/66/40/527616640.db2.gz HJURQKMIDAZIGV-UHFFFAOYSA-N -1 0 422.824 4.864 40 0 HJABRM O=C([O-])COc1ccc(NC(=O)Cc2ccccc2)cc1-c1nc2ccccc2s1 ZINC000020158335 527619071 /nfs/dbraw/zinc/61/90/71/527619071.db2.gz AMKUMZSZWFVTCJ-UHFFFAOYSA-N -1 0 418.474 4.608 40 0 HJABRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408544257 557361038 /nfs/dbraw/zinc/36/10/38/557361038.db2.gz CGKNNKCGFRGKIV-UHFFFAOYSA-N -1 0 416.886 4.756 40 0 HJABRM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1C ZINC000408623099 557549417 /nfs/dbraw/zinc/54/94/17/557549417.db2.gz OWGQBWHEGLSIDU-UHFFFAOYSA-N -1 0 424.522 4.728 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000408630897 557568667 /nfs/dbraw/zinc/56/86/67/557568667.db2.gz XQLUQMBOEVYWOI-UHFFFAOYSA-N -1 0 424.522 4.835 40 0 HJABRM COc1ccc(OC)c(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)[O-])c1 ZINC000005023154 557627020 /nfs/dbraw/zinc/62/70/20/557627020.db2.gz DENOEEISCHBDMX-UHFFFAOYSA-N -1 0 404.875 4.851 40 0 HJABRM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])s1 ZINC000035897791 557650722 /nfs/dbraw/zinc/65/07/22/557650722.db2.gz JDNUHGUKYOZZEW-WXRFYESLSA-N -1 0 424.522 4.585 40 0 HJABRM Cc1ccc2c(C)nc([N-]c3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc2c1 ZINC000010157484 557856673 /nfs/dbraw/zinc/85/66/73/557856673.db2.gz QSVKRWOUPVPFBY-CQSZACIVSA-N -1 0 401.495 4.754 40 0 HJABRM Cc1nc([N-]c2nc(C)c3c(n2)C[C@@H](c2cccs2)CC3=O)nc2ccccc12 ZINC000020634908 558395641 /nfs/dbraw/zinc/39/56/41/558395641.db2.gz QOIGCLBPGKHLFE-CQSZACIVSA-N -1 0 401.495 4.754 40 0 HJABRM CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)C1CCCCC1 ZINC000030855386 558741104 /nfs/dbraw/zinc/74/11/04/558741104.db2.gz URURDRJYACLPRH-UHFFFAOYSA-N -1 0 406.935 4.546 40 0 HJABRM Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000015693577 558749247 /nfs/dbraw/zinc/74/92/47/558749247.db2.gz IMYQSEPBUPDWSQ-INIZCTEOSA-N -1 0 414.552 4.657 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)cc1Cl ZINC000071980422 558917212 /nfs/dbraw/zinc/91/72/12/558917212.db2.gz VYFPDYBUSNSHCJ-WCKOCXJASA-N -1 0 414.329 4.852 40 0 HJABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000101506757 559147186 /nfs/dbraw/zinc/14/71/86/559147186.db2.gz BCPFHFTYCQVWBK-QTGCHDBNSA-N -1 0 409.294 4.578 40 0 HJABRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)ccc1Cl ZINC000226856297 559274118 /nfs/dbraw/zinc/27/41/18/559274118.db2.gz RLTRMZVYRJDHQV-UHFFFAOYSA-N -1 0 402.811 4.705 40 0 HJABRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(Nc4ccccc4F)NC3=O)o2)cc1 ZINC000408812062 560644225 /nfs/dbraw/zinc/64/42/25/560644225.db2.gz LBSXXFHRNJPHQD-UHFFFAOYSA-N -1 0 409.418 4.547 40 0 HJABRM CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)c2ccccc21 ZINC000409114745 560680125 /nfs/dbraw/zinc/68/01/25/560680125.db2.gz IKRGMERWZWLEDK-GHXNOFRVSA-N -1 0 423.104 4.824 40 0 HJABRM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)c1 ZINC000409411189 560721471 /nfs/dbraw/zinc/72/14/71/560721471.db2.gz FLRCTNVCKZACBT-UHFFFAOYSA-N -1 0 420.962 4.774 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2Cl)c1C ZINC000010112559 560764166 /nfs/dbraw/zinc/76/41/66/560764166.db2.gz FQNUMKHWJYCQDT-AWEZNQCLSA-N -1 0 420.962 4.630 40 0 HJABRM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000016526246 560860995 /nfs/dbraw/zinc/86/09/95/560860995.db2.gz DQUYIXOIWGQZRS-UHFFFAOYSA-N -1 0 419.289 4.972 40 0 HJABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1nc(-c3ccc(F)cc3)cs1)[C@H]2C(=O)[O-] ZINC000004179846 560893591 /nfs/dbraw/zinc/89/35/91/560893591.db2.gz IVSADFKIURGWBT-NONVJHHQSA-N -1 0 400.475 4.581 40 0 HJABRM C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)S1 ZINC000222630848 568521543 /nfs/dbraw/zinc/52/15/43/568521543.db2.gz NGJCAHJBVGQSGX-GBLZOACLSA-N -1 0 405.479 4.629 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222633355 568521686 /nfs/dbraw/zinc/52/16/86/568521686.db2.gz AINGBCIQLFNDAV-SZFUDVHCSA-N -1 0 419.506 4.938 40 0 HJABRM CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C(=O)[O-])cc3)N21 ZINC000222708991 568524311 /nfs/dbraw/zinc/52/43/11/568524311.db2.gz LZYVFQPTGVJUOK-ORYQWCPZSA-N -1 0 418.522 4.550 40 0 HJABRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OCc3ccccc3)cc1)CCCC2 ZINC000223283355 568544072 /nfs/dbraw/zinc/54/40/72/568544072.db2.gz PPCJBSXBIDMORQ-UHFFFAOYSA-N -1 0 423.534 4.954 40 0 HJABRM CC(C)CSc1nnc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000225062068 568611728 /nfs/dbraw/zinc/61/17/28/568611728.db2.gz KRZOIQPHYYCTAH-UHFFFAOYSA-N -1 0 412.389 4.535 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2Cl)c1C ZINC000225200714 568622203 /nfs/dbraw/zinc/62/22/03/568622203.db2.gz FUDZKSQJGLLUOY-HNNXBMFYSA-N -1 0 408.951 4.532 40 0 HJABRM CCc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000225626414 568658392 /nfs/dbraw/zinc/65/83/92/568658392.db2.gz ZNCROQYXLYOXTJ-HNNXBMFYSA-N -1 0 414.552 4.602 40 0 HJABRM O=C([O-])c1cc(Cl)c(NC(=S)NC(=O)c2cccc3ccccc32)c(Cl)c1 ZINC000059843124 568709362 /nfs/dbraw/zinc/70/93/62/568709362.db2.gz JBXVJPUDAQDRAO-UHFFFAOYSA-N -1 0 419.289 4.972 40 0 HJABRM Cc1ccc(Oc2ccccc2C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000257232513 568785573 /nfs/dbraw/zinc/78/55/73/568785573.db2.gz GLDZWECEJUCRJW-UHFFFAOYSA-N -1 0 415.898 4.868 40 0 HJABRM COc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CC(C)C)n1 ZINC000257243553 568788449 /nfs/dbraw/zinc/78/84/49/568788449.db2.gz IHNCNAWHIDFFBW-UHFFFAOYSA-N -1 0 410.470 4.597 40 0 HJABRM COc1ccccc1-c1cccc(C(=O)N(CC(=O)[O-])Cc2ccccc2Cl)c1 ZINC000257253418 568791262 /nfs/dbraw/zinc/79/12/62/568791262.db2.gz JYXGEIIEJKHGMR-UHFFFAOYSA-N -1 0 409.869 4.743 40 0 HJABRM CCCCC(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])c(COc2ccc(Cl)cc2)n1 ZINC000257274948 568797027 /nfs/dbraw/zinc/79/70/27/568797027.db2.gz NNIDUQWUFKSZPN-FQEVSTJZSA-N -1 0 416.905 4.866 40 0 HJABRM CCc1ccc(CN(Cc2ccccc2)C(=O)COc2c(F)cccc2C(=O)[O-])cc1 ZINC000257327042 568812406 /nfs/dbraw/zinc/81/24/06/568812406.db2.gz WZQPICRFPOUJPS-UHFFFAOYSA-N -1 0 421.468 4.694 40 0 HJABRM COc1cc(C(=O)[O-])cc(CSC)c1OC(=O)c1ccc(Cl)cc1Cl ZINC000226288852 569279189 /nfs/dbraw/zinc/27/91/89/569279189.db2.gz VMIQBTXIMNQPSR-UHFFFAOYSA-N -1 0 401.267 4.782 40 0 HJABRM COc1cc(C(=O)[O-])cc(CSC)c1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000226288863 569279196 /nfs/dbraw/zinc/27/91/96/569279196.db2.gz WJGQVHYZKRSSLG-UHFFFAOYSA-N -1 0 401.267 4.782 40 0 HJABRM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1Br ZINC000016147528 569284392 /nfs/dbraw/zinc/28/43/92/569284392.db2.gz SKZBQNWTUVZIPZ-UHFFFAOYSA-N -1 0 414.630 4.922 40 0 HJABRM O=C(Nc1ccc2ccccc2c1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000006707135 569334439 /nfs/dbraw/zinc/33/44/39/569334439.db2.gz WBXJPZFMTZOYBC-UHFFFAOYSA-N -1 0 402.475 4.893 40 0 HJABRM CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000007342233 569336991 /nfs/dbraw/zinc/33/69/91/569336991.db2.gz SCPRCQZDFDXRMD-BOPFTXTBSA-N -1 0 400.479 4.522 40 0 HJABRM O=C([O-])c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000007604009 569337841 /nfs/dbraw/zinc/33/78/41/569337841.db2.gz NPZZXLXMHMXNAR-UHFFFAOYSA-N -1 0 404.029 4.628 40 0 HJABRM Cc1nnc(S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)[O-])o1 ZINC000211526309 569355997 /nfs/dbraw/zinc/35/59/97/569355997.db2.gz UTQDOVZNDJBZMM-ZSOIEALJSA-N -1 0 407.245 4.618 40 0 HJABRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000044946906 521521373 /nfs/dbraw/zinc/52/13/73/521521373.db2.gz XRBAOXXSZBVQNU-UHFFFAOYSA-N -1 0 408.690 4.624 40 0 HJABRM Nc1ccc(S(=O)(=O)[N-]c2cccc(/C=C/c3ccc(Cl)cc3Cl)n2)cc1 ZINC000032604025 527499809 /nfs/dbraw/zinc/49/98/09/527499809.db2.gz YRKFZKZTNCYWFF-WEVVVXLNSA-N -1 0 420.321 4.942 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2Cl)cc1 ZINC000408546302 557383999 /nfs/dbraw/zinc/38/39/99/557383999.db2.gz DPMCPJSAYOOSIB-UHFFFAOYSA-N -1 0 420.962 4.902 40 0 HJABRM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408595494 557512956 /nfs/dbraw/zinc/51/29/56/557512956.db2.gz QLTURBXLWUQUME-UHFFFAOYSA-N -1 0 422.812 4.728 40 0 HJABRM CCc1nc(SC(=Cc2c3cc(OC)ccc3[nH]c2-c2ccccc2)C(=O)[O-])n[nH]1 ZINC000408633384 557586325 /nfs/dbraw/zinc/58/63/25/557586325.db2.gz YBFCOBBXEBWYPH-PDGQHHTCSA-N -1 0 420.494 4.742 40 0 HJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(Cl)cc3)C(=O)[O-])o2)c1 ZINC000408633805 557592512 /nfs/dbraw/zinc/59/25/12/557592512.db2.gz PQOLMQUJDMVFQU-APSNUPSMSA-N -1 0 418.858 4.625 40 0 HJABRM Cc1ccc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020044674 558326964 /nfs/dbraw/zinc/32/69/64/558326964.db2.gz QYWGGAVFKRWIGT-GOSISDBHSA-N -1 0 408.523 4.595 40 0 HJABRM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000038753774 558814051 /nfs/dbraw/zinc/81/40/51/558814051.db2.gz ATVRAHCJNGUUCK-KRWDZBQOSA-N -1 0 424.522 4.808 40 0 HJABRM COC(=O)/C(=C/c1ccc(/C=C(\C(=O)[O-])c2ccc(OC)cc2)o1)c1ccccc1 ZINC000017175753 558824876 /nfs/dbraw/zinc/82/48/76/558824876.db2.gz RCJZGELYXLOSJG-BILXGNRESA-N -1 0 404.418 4.627 40 0 HJABRM COC(=O)/C(=C\c1ccc(/C=C(/C(=O)[O-])c2ccc(OC)cc2)o1)c1ccccc1 ZINC000017175754 558824884 /nfs/dbraw/zinc/82/48/84/558824884.db2.gz RCJZGELYXLOSJG-TZKOODLUSA-N -1 0 404.418 4.627 40 0 HJABRM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000013757846 558865605 /nfs/dbraw/zinc/86/56/05/558865605.db2.gz ZWVOJGSNYJKDCJ-HWHRFOGPSA-N -1 0 406.526 4.890 40 0 HJABRM Cc1ccc(CCc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)[O-])cc1 ZINC000585265076 559112151 /nfs/dbraw/zinc/11/21/51/559112151.db2.gz GHIOIHCUAOWBRX-UHFFFAOYSA-N -1 0 415.537 4.728 40 0 HJABRM O=C([O-])c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1CCc1ccccc1 ZINC000585266508 559112774 /nfs/dbraw/zinc/11/27/74/559112774.db2.gz BCYZRTFJILVTIC-NRFANRHFSA-N -1 0 407.901 4.955 40 0 HJABRM CCc1ccccc1NC(=O)C(=O)C=C([O-])c1sc(Nc2ccccc2)nc1C ZINC000102981802 559153966 /nfs/dbraw/zinc/15/39/66/559153966.db2.gz WAQXUMXDRYGYNF-UHFFFAOYSA-N -1 0 407.495 4.538 40 0 HJABRM CCC[C@H](CC(=O)[O-])c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@@H](C)[C@@H](C)C2=O ZINC000072320172 560078134 /nfs/dbraw/zinc/07/81/34/560078134.db2.gz UDVTWMLZUGXNQM-QLFBSQMISA-N -1 0 404.503 4.868 40 0 biogenic,in-vitro HJABRM CC(C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C1=O ZINC000409017027 560666630 /nfs/dbraw/zinc/66/66/30/560666630.db2.gz VJDBPJPYNBYHHM-RGVLZGJSSA-N -1 0 420.490 4.833 40 0 HJABRM CCCN1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C1=O ZINC000409249533 560701993 /nfs/dbraw/zinc/70/19/93/560701993.db2.gz UPQQWXXXZZMWMV-UDWIEESQSA-N -1 0 420.490 4.834 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)c1 ZINC000409411883 560721746 /nfs/dbraw/zinc/72/17/46/560721746.db2.gz MWBBVPFKJZUVFK-UHFFFAOYSA-N -1 0 418.877 4.841 40 0 HJABRM Cc1[n-]n2c(nc(CSc3nc4ccccc4s3)cc2=O)c1-c1ccccc1 ZINC000101298847 560728467 /nfs/dbraw/zinc/72/84/67/560728467.db2.gz IDBSOJJMIAZRAM-UHFFFAOYSA-N -1 0 404.520 4.900 40 0 HJABRM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000102736783 560731689 /nfs/dbraw/zinc/73/16/89/560731689.db2.gz ZWVOJGSNYJKDCJ-OUFMZXHOSA-N -1 0 406.526 4.890 40 0 HJABRM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000006535537 560743993 /nfs/dbraw/zinc/74/39/93/560743993.db2.gz VGCHAHVDZWNKDE-UHFFFAOYSA-N -1 0 410.882 4.832 40 0 HJABRM Cc1[n-]n2c(nc(CSc3nc4ccccc4o3)cc2=O)c1-c1ccc(F)cc1 ZINC000010338914 560768282 /nfs/dbraw/zinc/76/82/82/560768282.db2.gz NHVDJJMJSZABLR-UHFFFAOYSA-N -1 0 406.442 4.571 40 0 HJABRM O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000016493074 560860997 /nfs/dbraw/zinc/86/09/97/560860997.db2.gz YWSNOTNMARBLDE-UHFFFAOYSA-N -1 0 410.882 4.832 40 0 HJABRM Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(OCC(=O)[O-])c2)cc1 ZINC000020158253 560881795 /nfs/dbraw/zinc/88/17/95/560881795.db2.gz MQKJASJSGQCQJS-UHFFFAOYSA-N -1 0 418.474 4.987 40 0 HJABRM Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)c(OCC(=O)[O-])c1 ZINC000020158202 560881796 /nfs/dbraw/zinc/88/17/96/560881796.db2.gz DKTCWIQTXZXZBR-UHFFFAOYSA-N -1 0 402.406 4.519 40 0 HJABRM O=C([O-])COc1cc(NC(=O)c2cccs2)ccc1-c1nc2ccccc2s1 ZINC000020158326 560881814 /nfs/dbraw/zinc/88/18/14/560881814.db2.gz GOCXLAQHUKKTLX-UHFFFAOYSA-N -1 0 410.476 4.741 40 0 HJABRM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(=O)[O-])c3)N21 ZINC000222708659 568524312 /nfs/dbraw/zinc/52/43/12/568524312.db2.gz HAXKPWABYPLQIA-TYCQWZJGSA-N -1 0 418.522 4.550 40 0 HJABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCC2CCCCC2)ccc1Cl ZINC000223957957 568564506 /nfs/dbraw/zinc/56/45/06/568564506.db2.gz HEFFIIYJKFTNDT-UHFFFAOYSA-N -1 0 420.962 4.759 40 0 HJABRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC3CCCC3)cc1)CCCC2 ZINC000225538939 568648789 /nfs/dbraw/zinc/64/87/89/568648789.db2.gz WSWMNNWYYGXAMD-UHFFFAOYSA-N -1 0 401.528 4.696 40 0 HJABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000225752135 568671234 /nfs/dbraw/zinc/67/12/34/568671234.db2.gz LMWJKRTVEQKHOC-WVGQAWGZSA-N -1 0 409.294 4.578 40 0 HJABRM CCCCC(=O)N1CCC[C@H]1c1nc(CCc2ccc(F)cc2)c(C(=O)[O-])s1 ZINC000257241392 568787958 /nfs/dbraw/zinc/78/79/58/568787958.db2.gz HXXBZFRGMQBDGO-KRWDZBQOSA-N -1 0 404.507 4.619 40 0 HJABRM Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2c1C(C)C ZINC000257247282 568789531 /nfs/dbraw/zinc/78/95/31/568789531.db2.gz IYHFNLOPPHFLCT-UHFFFAOYSA-N -1 0 424.444 4.737 40 0 HJABRM O=C([O-])c1cnc(N2CCC[C@@H]2c2cccc(F)c2)nc1CCCc1ccccc1 ZINC000257248773 568789985 /nfs/dbraw/zinc/78/99/85/568789985.db2.gz JFDHATQUBVRSPP-JOCHJYFZSA-N -1 0 405.473 4.831 40 0 HJABRM CC(C)(C)C(=O)N1CCC[C@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257296202 568803417 /nfs/dbraw/zinc/80/34/17/568803417.db2.gz RBRUHRIRMDOLNG-HNNXBMFYSA-N -1 0 422.934 4.783 40 0 HJABRM CC(C)c1ccc(OCCNc2ncc(C(=O)[O-])c(CCCc3ccccc3)n2)cc1 ZINC000257315770 568809077 /nfs/dbraw/zinc/80/90/77/568809077.db2.gz VCSGBIUJHINRCR-UHFFFAOYSA-N -1 0 419.525 4.964 40 0 HJABRM CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(C[C@H](O)CC)n1 ZINC000257328551 568812667 /nfs/dbraw/zinc/81/26/67/568812667.db2.gz XGDXWUSYICDUGK-GOSISDBHSA-N -1 0 412.461 4.614 40 0 HJABRM CC(C)(C)C(=O)N1CCC[C@H]1c1nc(CCCc2ccccc2)c(C(=O)[O-])s1 ZINC000257331807 568813601 /nfs/dbraw/zinc/81/36/01/568813601.db2.gz XUIOCURUZCZLON-KRWDZBQOSA-N -1 0 400.544 4.726 40 0 HJABRM COc1cc(Br)ccc1-c1oc(/C=C/C(=O)[O-])cc1Br ZINC000057353784 569063753 /nfs/dbraw/zinc/06/37/53/569063753.db2.gz GQMWDNGUDUWGSK-HWKANZROSA-N -1 0 402.038 4.578 40 0 HJABRM CCCc1nc(SC(=Cc2ccc(OCc3ccc(C)cc3)cc2)C(=O)[O-])n[nH]1 ZINC000007342293 569337042 /nfs/dbraw/zinc/33/70/42/569337042.db2.gz ZTDCOZAPVKQNIX-UYRXBGFRSA-N -1 0 409.511 4.862 40 0 HJABRM Cc1ccc(COc2c(Br)cc(Br)cc2C(=O)[O-])cc1 ZINC000007603889 569337812 /nfs/dbraw/zinc/33/78/12/569337812.db2.gz WCFRAZFVWRGLRB-UHFFFAOYSA-N -1 0 400.066 4.797 40 0 HJABRM C[C@@](Cc1ccc(OCc2ccccc2)cc1)(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000309620112 569389625 /nfs/dbraw/zinc/38/96/25/569389625.db2.gz XCKCHOCUDKLNIV-VWLOTQADSA-N -1 0 419.477 4.578 40 0 HJABRM O=C([O-])COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008703680 132332304 /nfs/dbraw/zinc/33/23/04/132332304.db2.gz PBZJHKSHWSOJNO-NRFANRHFSA-N -1 0 408.841 4.575 40 0 HJABRM CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000020144794 519372993 /nfs/dbraw/zinc/37/29/93/519372993.db2.gz AMUJTCWPXJXFOZ-UHFFFAOYSA-N -1 0 412.667 4.597 40 0 HJABRM CC(C)n1c(/C=C/[C@H](O)CC(=O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 ZINC000044699674 519917914 /nfs/dbraw/zinc/91/79/14/519917914.db2.gz GCZHCYUTPUSSIJ-DXRVJIQQSA-N -1 0 409.457 4.836 40 0 in-vitro HJABRM Cc1ccccc1C(=O)NC(=S)Nc1cc(-c2ccc(C(=O)[O-])o2)ccc1Cl ZINC000226355757 525051427 /nfs/dbraw/zinc/05/14/27/525051427.db2.gz GWLQDGFXRPSLOA-UHFFFAOYSA-N -1 0 414.870 4.733 40 0 HJABRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cc2ccccc2o1 ZINC000032116363 527101761 /nfs/dbraw/zinc/10/17/61/527101761.db2.gz FSGMDUMOUMTUKO-UHFFFAOYSA-N -1 0 411.049 4.916 40 0 HJABRM CCOc1cc(COc2ccc(C(=O)[O-])cc2OC)ccc1OCc1ccccc1 ZINC000408539042 557359449 /nfs/dbraw/zinc/35/94/49/557359449.db2.gz DTWCFQYAFQGPMA-UHFFFAOYSA-N -1 0 408.450 4.950 40 0 HJABRM O=c1c([C@H](O)c2c(Cl)cccc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000003848969 557500919 /nfs/dbraw/zinc/50/09/19/557500919.db2.gz FFQYGZXPGZSGTG-ZIAGYGMSSA-N -1 0 403.187 4.608 40 0 HJABRM O=c1c([C@H](O)c2ccc(Cl)cc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000003849068 557500925 /nfs/dbraw/zinc/50/09/25/557500925.db2.gz QWZJUFPQEBQGRT-ZIAGYGMSSA-N -1 0 403.187 4.608 40 0 HJABRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408608562 557531942 /nfs/dbraw/zinc/53/19/42/557531942.db2.gz NYXXLGIHBFBDBX-UHFFFAOYSA-N -1 0 424.566 4.778 40 0 HJABRM O=C([O-])/C(=C/c1ccc(I)cc1)Sc1nc2ccccc2o1 ZINC000408632923 557575745 /nfs/dbraw/zinc/57/57/45/557575745.db2.gz HPHXMTRLTAITNS-ZROIWOOFSA-N -1 0 423.231 4.650 40 0 HJABRM CC(C)COc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000005976973 557683193 /nfs/dbraw/zinc/68/31/93/557683193.db2.gz AJEXUFAKJGEQBB-UHFFFAOYSA-N -1 0 413.326 4.861 40 0 HJABRM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000007384474 557740356 /nfs/dbraw/zinc/74/03/56/557740356.db2.gz SQKQIHUATHTDTJ-UHFFFAOYSA-N -1 0 408.863 4.547 40 0 HJABRM CCCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000011565914 558264091 /nfs/dbraw/zinc/26/40/91/558264091.db2.gz VSFSUHMQNRXVAZ-UHFFFAOYSA-N -1 0 405.516 4.878 40 0 HJABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000020144954 558339925 /nfs/dbraw/zinc/33/99/25/558339925.db2.gz YLQZUDVUBXLHCJ-UHFFFAOYSA-N -1 0 411.841 4.878 40 0 HJABRM O=C(C=C([O-])c1ccc(Cl)cc1)N1CCN=C1Nc1c(Cl)cccc1Cl ZINC000031751037 558752191 /nfs/dbraw/zinc/75/21/91/558752191.db2.gz SUMKAYJISXXSPW-UHFFFAOYSA-N -1 0 410.688 4.530 40 0 HJABRM CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)S2)cc1 ZINC000016161954 558774829 /nfs/dbraw/zinc/77/48/29/558774829.db2.gz XWFHIOQVSOHYMW-CEMPLAKHSA-N -1 0 420.490 4.807 40 0 HJABRM Cc1cccc(N2C(=O)[C@@H]3[C@H](c4cccc(Cl)c4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000101089510 558826890 /nfs/dbraw/zinc/82/68/90/558826890.db2.gz GVADMOBWKCUKNK-FSSWDIPSSA-N -1 0 418.880 4.700 40 0 HJABRM Cc1cc([O-])c(C2=NN(c3ccccc3)[C@@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 ZINC000225392149 559271949 /nfs/dbraw/zinc/27/19/49/559271949.db2.gz TZRVLOGCRWLUIL-GOSISDBHSA-N -1 0 412.392 4.611 40 0 HJABRM O=C([O-])COc1ccccc1CN1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257297165 559285892 /nfs/dbraw/zinc/28/58/92/559285892.db2.gz RGEAXKCZPABUEQ-NRFANRHFSA-N -1 0 424.472 4.595 40 0 HJABRM CCC[C@@H](CC(=O)[O-])c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@@H](C)[C@@H](C)C2=O ZINC000072320171 560078071 /nfs/dbraw/zinc/07/80/71/560078071.db2.gz UDVTWMLZUGXNQM-ILXRZTDVSA-N -1 0 404.503 4.868 40 0 biogenic,in-vitro HJABRM COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@H]32)cc1OC ZINC000409001939 560663950 /nfs/dbraw/zinc/66/39/50/560663950.db2.gz RBQBUVHCLZLIBL-OIBXWCBGSA-N -1 0 401.462 4.873 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)c1C ZINC000005985603 560739318 /nfs/dbraw/zinc/73/93/18/560739318.db2.gz JYFTWRUSMHDYQN-UHFFFAOYSA-N -1 0 408.951 4.534 40 0 HJABRM O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1CCOc1ccccc1 ZINC000106766482 560746270 /nfs/dbraw/zinc/74/62/70/560746270.db2.gz WPVYVQGBFLKPSG-GDNBJRDFSA-N -1 0 410.278 4.814 40 0 HJABRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000107251114 560748563 /nfs/dbraw/zinc/74/85/63/560748563.db2.gz ABBKBSNXVBXCOE-UHFFFAOYSA-N -1 0 418.312 4.926 40 0 HJABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004893103 568421988 /nfs/dbraw/zinc/42/19/88/568421988.db2.gz BCPFHFTYCQVWBK-PPZCWDAYSA-N -1 0 409.294 4.578 40 0 HJABRM O=C([O-])[C@@H]1[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)[C@@H]2CC[C@H]1C2 ZINC000005101193 568433760 /nfs/dbraw/zinc/43/37/60/568433760.db2.gz SFVLIEZTBJKXKQ-PPZCWDAYSA-N -1 0 411.310 4.802 40 0 HJABRM C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)S1 ZINC000222630692 568521518 /nfs/dbraw/zinc/52/15/18/568521518.db2.gz NGJCAHJBVGQSGX-CWVNLOTRSA-N -1 0 405.479 4.629 40 0 HJABRM CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C(=O)[O-])cc3)N21 ZINC000222709098 568524299 /nfs/dbraw/zinc/52/42/99/568524299.db2.gz LZYVFQPTGVJUOK-ZLGUVYLKSA-N -1 0 418.522 4.550 40 0 HJABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)c(Cl)c1 ZINC000222891481 568529855 /nfs/dbraw/zinc/52/98/55/568529855.db2.gz OXARWZMIJPWWCP-UHFFFAOYSA-N -1 0 411.104 4.565 40 0 HJABRM CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC000222896299 568529962 /nfs/dbraw/zinc/52/99/62/568529962.db2.gz VYTBMNKKJHYXCJ-NHCUHLMSSA-N -1 0 421.522 4.731 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)c1 ZINC000223960163 568564468 /nfs/dbraw/zinc/56/44/68/568564468.db2.gz HGCCLLJAOAERKB-UHFFFAOYSA-N -1 0 420.962 4.759 40 0 HJABRM CO[C@@H](CC(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000247828278 568745651 /nfs/dbraw/zinc/74/56/51/568745651.db2.gz GMPADTRVEDDXQU-INIZCTEOSA-N -1 0 417.672 4.633 40 0 HJABRM COc1ccc(C(=O)[O-])cc1[C@H]1C[C@@](C)(NC(C)=O)C[C@@H](c2cccc(Cl)c2)O1 ZINC000257223722 568783196 /nfs/dbraw/zinc/78/31/96/568783196.db2.gz DYPPJRYICXSNOU-VWPQPMDRSA-N -1 0 417.889 4.534 40 0 HJABRM O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1Oc1ccccc1 ZINC000257237164 568786735 /nfs/dbraw/zinc/78/67/35/568786735.db2.gz HFKFOLYURYFVBJ-UHFFFAOYSA-N -1 0 421.396 4.616 40 0 HJABRM COc1ccccc1CN(CC(=O)[O-])C(=O)c1ccccc1Oc1ccc(C)cc1 ZINC000257319090 568810082 /nfs/dbraw/zinc/81/00/82/568810082.db2.gz VQSCXKPPRQGUDA-UHFFFAOYSA-N -1 0 405.450 4.523 40 0 HJABRM CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@H](O)CC)n1 ZINC000257328718 568812889 /nfs/dbraw/zinc/81/28/89/568812889.db2.gz XGVHHFGCMBUDPO-QGZVFWFLSA-N -1 0 414.889 4.738 40 0 HJABRM COc1ccc([C@@H]2CCCN2c2ncc(C(=O)[O-])c(CCCc3ccccc3)n2)cc1 ZINC000257339240 568815793 /nfs/dbraw/zinc/81/57/93/568815793.db2.gz ZAWNCXLZVFJACZ-QHCPKHFHSA-N -1 0 417.509 4.700 40 0 HJABRM O=C([O-])CN(Cc1ccccc1)C(=O)CCn1c2ccccc2nc1C1CCCCC1 ZINC000257343848 568817129 /nfs/dbraw/zinc/81/71/29/568817129.db2.gz ZUQMUMWJLBDWGN-UHFFFAOYSA-N -1 0 419.525 4.588 40 0 HJABRM COc1ccc2c(c1OC)C([O-])=C(C(=O)c1ccccc1)[C@@H]2CC(=O)c1ccccc1 ZINC000101571473 568936462 /nfs/dbraw/zinc/93/64/62/568936462.db2.gz NVRNWOFZPFEZRX-DENIHFKCSA-N -1 0 414.457 4.756 40 0 HJABRM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)c12 ZINC000007424049 569238053 /nfs/dbraw/zinc/23/80/53/569238053.db2.gz GKSDARILDPVPJB-UHFFFAOYSA-N -1 0 413.264 4.581 40 0 HJABRM CCCCCCC(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)[O-])c1ccccc1Cl ZINC000005618938 569255769 /nfs/dbraw/zinc/25/57/69/569255769.db2.gz QSKPZKQBDISPJO-RBUKOAKNSA-N -1 0 413.967 4.633 40 0 HJABRM COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1Br ZINC000050547866 569352227 /nfs/dbraw/zinc/35/22/27/569352227.db2.gz KXIFJZGEMILLAQ-DHDCSXOGSA-N -1 0 405.273 4.552 40 0 HJABRM CCc1nc(SC(=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)[O-])n[nH]1 ZINC000213392923 569356132 /nfs/dbraw/zinc/35/61/32/569356132.db2.gz BRYDVEQXVLZCBW-BOPFTXTBSA-N -1 0 415.902 4.817 40 0 HJABRM COc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)[O-])cc1OC ZINC000019894585 523221157 /nfs/dbraw/zinc/22/11/57/523221157.db2.gz JSIKXAKYZASBIV-UHFFFAOYSA-N -1 0 404.875 4.851 40 0 HJABRM CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(Br)cc1 ZINC000019927679 523239295 /nfs/dbraw/zinc/23/92/95/523239295.db2.gz PIJFUXXTHKLSCI-UHFFFAOYSA-N -1 0 418.316 4.718 40 0 HJABRM O=C([O-])COc1cc(NC(=O)c2ccc(F)cc2)ccc1-c1nc2ccccc2s1 ZINC000020158287 527616288 /nfs/dbraw/zinc/61/62/88/527616288.db2.gz CIIJYKBTIZKAFH-UHFFFAOYSA-N -1 0 422.437 4.818 40 0 HJABRM O=C(Nc1c(F)cccc1F)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408545329 557364082 /nfs/dbraw/zinc/36/40/82/557364082.db2.gz KJHUJCZRZDAHJQ-UHFFFAOYSA-N -1 0 422.840 4.671 40 0 HJABRM Cc1cccc(NC(=O)COc2ccc(CNc3cccc(C(=O)[O-])c3)cc2Cl)c1 ZINC000408605354 557517442 /nfs/dbraw/zinc/51/74/42/557517442.db2.gz GQKCDPCLNFKPQX-UHFFFAOYSA-N -1 0 424.884 4.976 40 0 HJABRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2cccc(C(=O)[O-])c2)c1 ZINC000408602920 557523458 /nfs/dbraw/zinc/52/34/58/557523458.db2.gz BLIYJXXZFLEEQX-UHFFFAOYSA-N -1 0 424.884 4.976 40 0 HJABRM O=C([O-])c1cccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 ZINC000408603645 557524475 /nfs/dbraw/zinc/52/44/75/557524475.db2.gz CCOBGHDXWVUXIL-UHFFFAOYSA-N -1 0 410.857 4.668 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(OC(C)C)c2)cc1 ZINC000408630062 557565894 /nfs/dbraw/zinc/56/58/94/557565894.db2.gz MWKVTCKLHCIULS-UHFFFAOYSA-N -1 0 424.522 4.835 40 0 HJABRM CCc1nc(SC(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000408630477 557568653 /nfs/dbraw/zinc/56/86/53/557568653.db2.gz AARRANAKWJLMKL-ODLFYWEKSA-N -1 0 422.485 4.727 40 0 HJABRM O=C([O-])/C(=C/c1cc2c(cc1Br)OCO2)Sc1nc2ccccc2o1 ZINC000408631636 557570073 /nfs/dbraw/zinc/57/00/73/557570073.db2.gz ADGJLNRKJDVCNQ-UUASQNMZSA-N -1 0 420.240 4.537 40 0 HJABRM COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc(Br)c1O ZINC000408634963 557597902 /nfs/dbraw/zinc/59/79/02/557597902.db2.gz VVXJNNNBLIRVAL-ZSOIEALJSA-N -1 0 422.256 4.522 40 0 HJABRM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000005579268 557663218 /nfs/dbraw/zinc/66/32/18/557663218.db2.gz JMKUKWQBMYRYRU-UHFFFAOYSA-N -1 0 400.887 4.702 40 0 HJABRM C[C@@]1(C(=O)[O-])CC[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@]32C)[C@H]1C[C@H]1Nc2ccccc2C1=O ZINC000008616134 557796828 /nfs/dbraw/zinc/79/68/28/557796828.db2.gz LSPRYAWXULXANH-WGYSSRLASA-N -1 0 423.553 4.668 40 0 HJABRM Cc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2c1 ZINC000010157479 557856386 /nfs/dbraw/zinc/85/63/86/557856386.db2.gz IOTCLLRYSJVGJT-AWEZNQCLSA-N -1 0 401.495 4.754 40 0 HJABRM CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000020458855 558371518 /nfs/dbraw/zinc/37/15/18/558371518.db2.gz IOOHOLYUXKHDIC-QFIPXVFZSA-N -1 0 422.550 4.985 40 0 HJABRM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000013752127 558864311 /nfs/dbraw/zinc/86/43/11/558864311.db2.gz QGBCDYBRZMPPGI-AWDZXFJFSA-N -1 0 406.526 4.890 40 0 HJABRM COc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000054363517 558868062 /nfs/dbraw/zinc/86/80/62/558868062.db2.gz FXCCLWTVZCBOPZ-UHFFFAOYSA-N -1 0 411.104 4.565 40 0 HJABRM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2c1O ZINC000022234088 558943560 /nfs/dbraw/zinc/94/35/60/558943560.db2.gz PWSXBYBVFSEFDD-UHFFFAOYSA-N -1 0 400.278 4.818 40 0 HJABRM COC(=O)N([C@H](Cc1ccc(OC)cc1)C(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000096329067 559110111 /nfs/dbraw/zinc/11/01/11/559110111.db2.gz JYTPPUVGKXKUAC-JOCHJYFZSA-N -1 0 417.461 4.529 40 0 HJABRM O=C([O-])C[C@H](O)C[C@H](O)/C=C\c1c(-c2ccc(F)cc2)c2ccccc2nc1C1CC1 ZINC000072187789 559167389 /nfs/dbraw/zinc/16/73/89/559167389.db2.gz VGYFMXBACGZSIL-DBBWNDPISA-N -1 0 421.468 4.518 40 0 in-vitro HJABRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000118934461 559206416 /nfs/dbraw/zinc/20/64/16/559206416.db2.gz JIAQXWKDZDJACF-NUYHECPUSA-N -1 0 418.574 4.867 40 0 HJABRM O=C([O-])COc1ccccc1CN1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257297166 559285925 /nfs/dbraw/zinc/28/59/25/559285925.db2.gz RGEAXKCZPABUEQ-OAQYLSRUSA-N -1 0 424.472 4.595 40 0 HJABRM CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)S2)cc1 ZINC000408783212 560641276 /nfs/dbraw/zinc/64/12/76/560641276.db2.gz LEDPXYXHEKMVHI-BXDIUNCMSA-N -1 0 420.490 4.807 40 0 HJABRM Cc1nnc(SC(=Cc2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)[O-])[nH]1 ZINC000409191409 560689386 /nfs/dbraw/zinc/68/93/86/560689386.db2.gz GSMUXDDJZQIAOJ-JAIQZWGSSA-N -1 0 422.485 4.781 40 0 HJABRM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000102736795 560731860 /nfs/dbraw/zinc/73/18/60/560731860.db2.gz ZWVOJGSNYJKDCJ-RLLPEYFOSA-N -1 0 406.526 4.890 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2Cl)cc1C ZINC000010112565 560764143 /nfs/dbraw/zinc/76/41/43/560764143.db2.gz JGBAWKIWULPGKO-AWEZNQCLSA-N -1 0 420.962 4.630 40 0 HJABRM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000017092602 560867135 /nfs/dbraw/zinc/86/71/35/560867135.db2.gz KPRDFOJMOOIOIJ-UHFFFAOYSA-N -1 0 421.305 4.988 40 0 HJABRM Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000005792490 568454036 /nfs/dbraw/zinc/45/40/36/568454036.db2.gz QFBPGWOTJNCCBZ-HCXYKTFWSA-N -1 0 410.539 4.778 40 0 HJABRM COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000223362266 568546477 /nfs/dbraw/zinc/54/64/77/568546477.db2.gz YBKLXNQPVJTKCD-UHFFFAOYSA-N -1 0 408.863 4.547 40 0 HJABRM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c1 ZINC000223429576 568548792 /nfs/dbraw/zinc/54/87/92/568548792.db2.gz AVLJNWGUYVKCQL-UHFFFAOYSA-N -1 0 417.483 4.564 40 0 HJABRM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223646723 568554819 /nfs/dbraw/zinc/55/48/19/568554819.db2.gz UTNPBDPWKLDMRI-UHFFFAOYSA-N -1 0 419.886 4.950 40 0 HJABRM CCCC[C@H](CC)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000223934104 568563400 /nfs/dbraw/zinc/56/34/00/568563400.db2.gz AFJJLXUTZHUAGA-SFHVURJKSA-N -1 0 402.560 4.742 40 0 HJABRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 ZINC000225270189 568626951 /nfs/dbraw/zinc/62/69/51/568626951.db2.gz NEWWXHOOBWHTQX-UHFFFAOYSA-N -1 0 407.495 4.656 40 0 HJABRM COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000059409156 568705412 /nfs/dbraw/zinc/70/54/12/568705412.db2.gz ARMCNAWSVCFSQA-JOCHJYFZSA-N -1 0 420.490 4.669 40 0 HJABRM CC(C)c1ccc(OCCNc2ncc(C(=O)[O-])c(CCc3ccc(F)cc3)n2)cc1 ZINC000257216223 568780872 /nfs/dbraw/zinc/78/08/72/568780872.db2.gz CTPNWLIGFUVAEE-UHFFFAOYSA-N -1 0 423.488 4.713 40 0 HJABRM CC(C)c1ccccc1OCCNc1ncc(C(=O)[O-])c(CCc2ccccc2)n1 ZINC000257219184 568781618 /nfs/dbraw/zinc/78/16/18/568781618.db2.gz DFXDKTKFJJAZRS-UHFFFAOYSA-N -1 0 405.498 4.574 40 0 HJABRM CCCCC(=O)N1CCC[C@@H]1c1nc(CCCc2ccccc2)c(C(=O)[O-])s1 ZINC000257250906 568790508 /nfs/dbraw/zinc/79/05/08/568790508.db2.gz JONIRFDZHYENMV-GOSISDBHSA-N -1 0 400.544 4.870 40 0 HJABRM Cc1cc([O-])c(C2=Nc3ccccc3N[C@@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 ZINC000227173281 568828518 /nfs/dbraw/zinc/82/85/18/568828518.db2.gz IGORFQMYNGLKMT-QGZVFWFLSA-N -1 0 412.392 4.933 40 0 HJABRM CC1(C)[C@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[C@]1(C)C(=O)[O-] ZINC000006829038 568937001 /nfs/dbraw/zinc/93/70/01/568937001.db2.gz MHORALJDMGGTAR-DYZYQPBXSA-N -1 0 416.421 4.661 40 0 HJABRM CCOC(=O)c1c(-c2ccccc2)csc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001717096 569144952 /nfs/dbraw/zinc/14/49/52/569144952.db2.gz OFPLMICETODTQS-UHFFFAOYSA-N -1 0 401.509 4.701 40 0 HJABRM Cc1n[nH]c(SC(=Cc2ccc(OCc3cccc(Cl)c3)cc2)C(=O)[O-])n1 ZINC000006525888 569333198 /nfs/dbraw/zinc/33/31/98/569333198.db2.gz KLDXCFRUFCRKAP-YVLHZVERSA-N -1 0 401.875 4.563 40 0 HJABRM COc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c(C)c1 ZINC000007603311 569337793 /nfs/dbraw/zinc/33/77/93/569337793.db2.gz XSJIITKOXBKAJI-YBEGLDIGSA-N -1 0 401.875 4.660 40 0 HJABRM Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000008434548 569341058 /nfs/dbraw/zinc/34/10/58/569341058.db2.gz IFYABQMNQUCUBE-UHFFFAOYSA-N -1 0 408.841 4.851 40 0 HJABRM CCc1ccc(N2C(=O)C(=Cc3cccc(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000033497545 569350591 /nfs/dbraw/zinc/35/05/91/569350591.db2.gz UIOYSNIYASJURI-LFIBNONCSA-N -1 0 415.312 4.683 40 0 HJABRM CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000020144780 519372221 /nfs/dbraw/zinc/37/22/21/519372221.db2.gz HBVLUIHGEHJLQV-UHFFFAOYSA-N -1 0 412.667 4.597 40 0 HJABRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000020157833 526221757 /nfs/dbraw/zinc/22/17/57/526221757.db2.gz CNQFLBSROKPBCO-UHFFFAOYSA-N -1 0 418.474 4.987 40 0 HJABRM CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408545356 557364138 /nfs/dbraw/zinc/36/41/38/557364138.db2.gz KUSSWFFCEATCOV-UHFFFAOYSA-N -1 0 408.951 4.678 40 0 HJABRM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000408548485 557375816 /nfs/dbraw/zinc/37/58/16/557375816.db2.gz SPIURYUZYTXDQQ-UHFFFAOYSA-N -1 0 400.887 4.702 40 0 HJABRM CC(C)Oc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408604658 557527409 /nfs/dbraw/zinc/52/74/09/557527409.db2.gz HOOUEVVMVICENM-UHFFFAOYSA-N -1 0 410.495 4.527 40 0 HJABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000408611687 557529904 /nfs/dbraw/zinc/52/99/04/557529904.db2.gz QRXYKIFFIGYZGO-UHFFFAOYSA-N -1 0 400.205 4.822 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000408617719 557534552 /nfs/dbraw/zinc/53/45/52/557534552.db2.gz IUMXLVCDBGHUPP-LJQANCHMSA-N -1 0 422.550 4.547 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000408617718 557543925 /nfs/dbraw/zinc/54/39/25/557543925.db2.gz IUMXLVCDBGHUPP-IBGZPJMESA-N -1 0 422.550 4.547 40 0 HJABRM COc1ccc(OC)c(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c1 ZINC000408632326 557578629 /nfs/dbraw/zinc/57/86/29/557578629.db2.gz DJYVGQWDTZOQPL-YBEGLDIGSA-N -1 0 418.858 4.625 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2Cl)c1 ZINC000020107646 558334150 /nfs/dbraw/zinc/33/41/50/558334150.db2.gz KHLXVJWIKCJRRN-UHFFFAOYSA-N -1 0 420.962 4.772 40 0 HJABRM COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000020139242 558338466 /nfs/dbraw/zinc/33/84/66/558338466.db2.gz GWWYYPAGBNXRKR-UHFFFAOYSA-N -1 0 414.255 4.870 40 0 HJABRM CC(C)(C)c1ccc(C(=O)N2[C@@H](C(=O)[O-])COC23CCC(C(C)(C)C)CC3)cc1 ZINC000071980475 558917182 /nfs/dbraw/zinc/91/71/82/558917182.db2.gz CQTANHAWAGLBCR-IQJRZOLZSA-N -1 0 401.547 4.842 40 0 HJABRM COCc1[n-]n2c(nc(-c3sc(C)nc3C)cc2=O)c1-c1ccc(Cl)cc1 ZINC000019560602 558921557 /nfs/dbraw/zinc/92/15/57/558921557.db2.gz WYVXLGLLCKAFRM-UHFFFAOYSA-N -1 0 400.891 4.642 40 0 HJABRM Cc1ccccc1-c1cc(C[C@]2(C(=O)[O-])CCCN(C(=O)CCC3CCCC3)C2)on1 ZINC000072395057 558973879 /nfs/dbraw/zinc/97/38/79/558973879.db2.gz FZVYAUQDLBNKGU-RUZDIDTESA-N -1 0 424.541 4.856 40 0 HJABRM O=C([O-])c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CCc1ccc(F)cc1 ZINC000585266151 559112600 /nfs/dbraw/zinc/11/26/00/559112600.db2.gz SCKFSVBKJCUGKW-UHFFFAOYSA-N -1 0 419.500 4.558 40 0 HJABRM Cc1cccc(OCc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)[O-])c1 ZINC000585266024 559112628 /nfs/dbraw/zinc/11/26/28/559112628.db2.gz ZLRIDRQGUYSWAJ-UHFFFAOYSA-N -1 0 417.509 4.521 40 0 HJABRM Cc1ccc(Oc2ccccc2C(=O)N(CCC(=O)[O-])CCc2ccccc2)cc1 ZINC000257252293 559284546 /nfs/dbraw/zinc/28/45/46/559284546.db2.gz JUGOPAPESHPEEP-UHFFFAOYSA-N -1 0 403.478 4.947 40 0 HJABRM CCOc1ccc([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000006681757 560632446 /nfs/dbraw/zinc/63/24/46/560632446.db2.gz UQUNPUJUJFGLSB-UHFFFAOYSA-N -1 0 416.524 4.508 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c1 ZINC000006681758 560632491 /nfs/dbraw/zinc/63/24/91/560632491.db2.gz PUJSWAWJWRZWBH-UHFFFAOYSA-N -1 0 400.525 4.726 40 0 HJABRM O=C([O-])[C@H]1CS[C@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N1 ZINC000408809091 560643736 /nfs/dbraw/zinc/64/37/36/560643736.db2.gz HUWDGEXYQUYVBT-SJLPKXTDSA-N -1 0 407.322 4.785 40 0 HJABRM Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)c1C ZINC000409410181 560721215 /nfs/dbraw/zinc/72/12/15/560721215.db2.gz KTXZAIQCLQJLEZ-UHFFFAOYSA-N -1 0 416.587 4.823 40 0 HJABRM Cc1n[nH]c(SC(=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)[O-])n1 ZINC000006588330 560744946 /nfs/dbraw/zinc/74/49/46/560744946.db2.gz FXIGNZYVHLTIKG-YVLHZVERSA-N -1 0 401.875 4.563 40 0 HJABRM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-] ZINC000169619997 560765124 /nfs/dbraw/zinc/76/51/24/560765124.db2.gz KMGHPDNJIREZLH-OBQMCUGOSA-N -1 0 419.543 4.680 40 0 HJABRM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000013998010 560832036 /nfs/dbraw/zinc/83/20/36/560832036.db2.gz NNOCUBUWNDWQKR-OVCLIPMQSA-N -1 0 424.497 4.895 40 0 HJABRM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000013997880 560832129 /nfs/dbraw/zinc/83/21/29/560832129.db2.gz JTLPZZKPRRBSBV-LFIBNONCSA-N -1 0 406.507 4.756 40 0 HJABRM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3O)nc2c1 ZINC000017093621 560868147 /nfs/dbraw/zinc/86/81/47/560868147.db2.gz QEAJFYSKYVJICW-UHFFFAOYSA-N -1 0 423.519 4.951 40 0 HJABRM O=C([O-])c1cc(NC(=S)NC(=O)c2cc3ccccc3o2)c(Cl)cc1Cl ZINC000020152370 560876040 /nfs/dbraw/zinc/87/60/40/560876040.db2.gz GGSJVOKPEGSLRJ-UHFFFAOYSA-N -1 0 409.250 4.565 40 0 HJABRM O=C([O-])COc1cc(NC(=O)c2ccccc2F)ccc1-c1nc2ccccc2s1 ZINC000020158269 560881816 /nfs/dbraw/zinc/88/18/16/560881816.db2.gz YHQMASQJGLMSPX-UHFFFAOYSA-N -1 0 422.437 4.818 40 0 HJABRM Cc1oc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1COc1ccc(-c2ccccc2)cc1 ZINC000005532422 568447119 /nfs/dbraw/zinc/44/71/19/568447119.db2.gz KKCOIEOFSXVUQW-OAQYLSRUSA-N -1 0 405.450 4.523 40 0 HJABRM C[C@H](Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)[O-])c1ccccc1 ZINC000217583149 568472897 /nfs/dbraw/zinc/47/28/97/568472897.db2.gz OSNLQKINKLIZGO-INIZCTEOSA-N -1 0 416.543 4.559 40 0 HJABRM CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)[O-])s1 ZINC000222498368 568516732 /nfs/dbraw/zinc/51/67/32/568516732.db2.gz UURQRNAEFYOBCJ-BODMPHMZSA-N -1 0 419.543 4.509 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222850677 568528384 /nfs/dbraw/zinc/52/83/84/568528384.db2.gz GAWKFDYRGULRAY-SFTDATJTSA-N -1 0 421.522 4.729 40 0 HJABRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000223673820 568555766 /nfs/dbraw/zinc/55/57/66/568555766.db2.gz AYYUUJCXMMJKTM-SFHVURJKSA-N -1 0 408.523 4.595 40 0 HJABRM CCc1ccc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000225408779 568634960 /nfs/dbraw/zinc/63/49/60/568634960.db2.gz XAWPUCUJRAGSRE-QGZVFWFLSA-N -1 0 408.523 4.541 40 0 HJABRM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C(=O)[O-])cc3)N21 ZINC000260771919 568738479 /nfs/dbraw/zinc/73/84/79/568738479.db2.gz LZYVFQPTGVJUOK-HBGVWJBISA-N -1 0 418.522 4.550 40 0 HJABRM O=C([O-])c1cnc(N2CCC[C@H]2c2cccc(F)c2)nc1CCCc1ccccc1 ZINC000257248774 568789936 /nfs/dbraw/zinc/78/99/36/568789936.db2.gz JFDHATQUBVRSPP-QFIPXVFZSA-N -1 0 405.473 4.831 40 0 HJABRM Cc1ccc(C(=O)[O-])c(OCC(=O)N(Cc2ccccc2)Cc2ccc(Cl)cc2)c1 ZINC000257283225 568799303 /nfs/dbraw/zinc/79/93/03/568799303.db2.gz OXHRTGMNHYGBRQ-UHFFFAOYSA-N -1 0 423.896 4.954 40 0 HJABRM CCCCC(=O)N1CCC[C@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257343404 568817269 /nfs/dbraw/zinc/81/72/69/568817269.db2.gz ZSVYFKSOFMYNGA-INIZCTEOSA-N -1 0 422.934 4.927 40 0 HJABRM CC(C)=CCc1c(C)c2c(cc1O)Oc1c(CO)c([O-])c(Cl)c(C)c1C(=O)O2 ZINC000006068808 568991855 /nfs/dbraw/zinc/99/18/55/568991855.db2.gz AINFZKIGIQBKDM-UHFFFAOYSA-N -1 0 404.846 4.694 40 0 endogenous,in-man HJABRM C[C@](Cc1cccc(F)c1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000231687068 569288818 /nfs/dbraw/zinc/28/88/18/569288818.db2.gz YEBXKZJYYWUHHK-RUZDIDTESA-N -1 0 419.452 4.750 40 0 HJABRM CCCc1nc(SC(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)[O-])n[nH]1 ZINC000007342273 569337001 /nfs/dbraw/zinc/33/70/01/569337001.db2.gz SGJAZLCBQLFYKB-PDGQHHTCSA-N -1 0 413.474 4.693 40 0 HJABRM CCc1nc(SC(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000007342444 569337014 /nfs/dbraw/zinc/33/70/14/569337014.db2.gz NFPDFGBPMGEUQL-YBEGLDIGSA-N -1 0 402.907 4.646 40 0 HJABRM CCc1nc(SC(=Cc2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000007342596 569337104 /nfs/dbraw/zinc/33/71/04/569337104.db2.gz SOWPBOWTRAJNJK-MOSHPQCFSA-N -1 0 418.522 4.896 40 0 HJABRM COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\Sc3nnc(C)o3)C(=O)[O-])c2c1 ZINC000007603660 569337823 /nfs/dbraw/zinc/33/78/23/569337823.db2.gz RDRDNOKILFXVPX-WQRHYEAKSA-N -1 0 407.451 4.753 40 0 HJABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000008470186 569341094 /nfs/dbraw/zinc/34/10/94/569341094.db2.gz CVWCMHOMSXHRRG-UHFFFAOYSA-N -1 0 408.841 4.851 40 0 HJABRM CCc1nc(SC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)[O-])n[nH]1 ZINC000213397289 569356152 /nfs/dbraw/zinc/35/61/52/569356152.db2.gz PKKQOQRMBMUXPU-ZROIWOOFSA-N -1 0 409.389 4.864 40 0 HJABRM C/C(=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013432978 291271461 /nfs/dbraw/zinc/27/14/61/291271461.db2.gz XFTFIFNAWKMLKL-BYJVVKNHSA-N -1 0 422.949 4.753 40 0 biogenic,in-vitro HJABRM CC(C)Oc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032288138 519784749 /nfs/dbraw/zinc/78/47/49/519784749.db2.gz RPBHYKFCKQJIJO-UHFFFAOYSA-N -1 0 416.524 4.588 40 0 HJABRM CC(C)c1ccc(S(=O)(=O)[N-]c2cnn(COc3ccc(F)cc3Cl)c2)cc1 ZINC000032609896 519838692 /nfs/dbraw/zinc/83/86/92/519838692.db2.gz NKVBIWOJVKUYEF-UHFFFAOYSA-N -1 0 423.897 4.636 40 0 HJABRM COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000020139214 521772778 /nfs/dbraw/zinc/77/27/78/521772778.db2.gz HKSVNKLCQXAVHH-UHFFFAOYSA-N -1 0 400.228 4.561 40 0 HJABRM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000032119183 523059902 /nfs/dbraw/zinc/05/99/02/523059902.db2.gz ZZPVYALEPYKVFU-UHFFFAOYSA-N -1 0 421.305 4.988 40 0 HJABRM Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c(-c3nc4ccccc4o3)c2)c1 ZINC000020157909 524218863 /nfs/dbraw/zinc/21/88/63/524218863.db2.gz BOGAUGHSAXRYSL-UHFFFAOYSA-N -1 0 402.406 4.519 40 0 HJABRM Cc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1C ZINC000044320771 524470429 /nfs/dbraw/zinc/47/04/29/524470429.db2.gz DGFWPHOIYSZHRN-DEOSSOPVSA-N -1 0 415.489 4.838 40 0 HJABRM O=C([O-])COc1ccc(NC(=O)c2ccccc2)cc1-c1nc2ccccc2s1 ZINC000020157791 527619083 /nfs/dbraw/zinc/61/90/83/527619083.db2.gz HTZJNAGQQNQMBX-UHFFFAOYSA-N -1 0 404.447 4.679 40 0 HJABRM O=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408549035 557416253 /nfs/dbraw/zinc/41/62/53/557416253.db2.gz VXJYQZZXVGDREC-UHFFFAOYSA-N -1 0 406.935 4.593 40 0 HJABRM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000408558845 557456117 /nfs/dbraw/zinc/45/61/17/557456117.db2.gz KLKYXLHTJARIOI-UHFFFAOYSA-N -1 0 412.467 4.848 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)NC(C)C ZINC000408600847 557521233 /nfs/dbraw/zinc/52/12/33/557521233.db2.gz CUDAQYNYLDZPLU-UHFFFAOYSA-N -1 0 424.522 4.726 40 0 HJABRM Cc1nnc(S/C(=C\c2ccc(Sc3nc4ccccc4s3)o2)C(=O)[O-])o1 ZINC000408630488 557568697 /nfs/dbraw/zinc/56/86/97/557568697.db2.gz AHQRDBAMBUEZJM-JYRVWZFOSA-N -1 0 417.493 4.950 40 0 HJABRM Cc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2c1 ZINC000010157480 557856381 /nfs/dbraw/zinc/85/63/81/557856381.db2.gz IOTCLLRYSJVGJT-CQSZACIVSA-N -1 0 401.495 4.754 40 0 HJABRM Cc1cccc2c(C)nc([N-]c3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc12 ZINC000010157488 557856641 /nfs/dbraw/zinc/85/66/41/557856641.db2.gz DVJFFUOQSKFDSZ-CQSZACIVSA-N -1 0 401.495 4.754 40 0 HJABRM CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C(C)C ZINC000011565912 558264094 /nfs/dbraw/zinc/26/40/94/558264094.db2.gz SQVGMWIVSIBODD-UHFFFAOYSA-N -1 0 405.516 4.878 40 0 HJABRM CCCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000011613988 558264567 /nfs/dbraw/zinc/26/45/67/558264567.db2.gz XDANCDKHLHNBDF-UHFFFAOYSA-N -1 0 413.495 4.908 40 0 HJABRM O=C([O-])c1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)cc1Cl ZINC000020143149 558339299 /nfs/dbraw/zinc/33/92/99/558339299.db2.gz QNDRLXJPLMNQFK-UHFFFAOYSA-N -1 0 400.086 4.639 40 0 HJABRM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl ZINC000020459484 558371969 /nfs/dbraw/zinc/37/19/69/558371969.db2.gz IVBPLCWHIPHPRR-UHFFFAOYSA-N -1 0 408.690 4.624 40 0 HJABRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)cc1 ZINC000054363519 558868009 /nfs/dbraw/zinc/86/80/09/558868009.db2.gz RYFGSVILUBMNNA-UHFFFAOYSA-N -1 0 411.104 4.565 40 0 HJABRM Cc1ccc(OCc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)[O-])cc1 ZINC000585265750 559112620 /nfs/dbraw/zinc/11/26/20/559112620.db2.gz QPQSKOLWSSIZQE-UHFFFAOYSA-N -1 0 417.509 4.521 40 0 HJABRM Cc1ccc(N[C@@H](CC(=O)c2c([O-])c3ccccc3n(C)c2=O)c2ccco2)cc1 ZINC000104827700 559161698 /nfs/dbraw/zinc/16/16/98/559161698.db2.gz RMFDNXXOACWZRK-SFHVURJKSA-N -1 0 402.450 4.572 40 0 HJABRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000118934464 559206425 /nfs/dbraw/zinc/20/64/25/559206425.db2.gz JIAQXWKDZDJACF-XHPWGDQZSA-N -1 0 418.574 4.867 40 0 HJABRM Cc1ccc(Oc2ccccc2C(=O)N(CCc2ccccc2C)CC(=O)[O-])cc1 ZINC000257262521 559284890 /nfs/dbraw/zinc/28/48/90/559284890.db2.gz LLTBCWNVMMTZNF-UHFFFAOYSA-N -1 0 403.478 4.865 40 0 HJABRM O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O ZINC000409137656 560682803 /nfs/dbraw/zinc/68/28/03/560682803.db2.gz XRGHTKPKRKCJSH-UDWIEESQSA-N -1 0 419.458 4.540 40 0 HJABRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1sc2ccccc2c1Cl ZINC000006613962 560744371 /nfs/dbraw/zinc/74/43/71/560744371.db2.gz WANHPXQKLIXKSP-UHFFFAOYSA-N -1 0 404.900 4.688 40 0 HJABRM CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000006706731 560745439 /nfs/dbraw/zinc/74/54/39/560745439.db2.gz ONIMMOAWDSDQHF-HNNXBMFYSA-N -1 0 408.951 4.676 40 0 HJABRM CC(C)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000009236589 560758061 /nfs/dbraw/zinc/75/80/61/560758061.db2.gz PIVGODKYSBPDII-YBFXNURJSA-N -1 0 411.479 4.656 40 0 HJABRM O=C([O-])c1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Cl ZINC000314273592 560779737 /nfs/dbraw/zinc/77/97/37/560779737.db2.gz JXNCISMFFNFKFF-UHFFFAOYSA-N -1 0 400.681 4.532 40 0 HJABRM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000014013214 560837595 /nfs/dbraw/zinc/83/75/95/560837595.db2.gz UANVUMZRKKCMOB-QFIPXVFZSA-N -1 0 424.522 4.592 40 0 HJABRM O=C(Nc1ccccc1C(F)(F)F)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000014153879 560839248 /nfs/dbraw/zinc/83/92/48/560839248.db2.gz WELGBOTZPRJPSF-UHFFFAOYSA-N -1 0 420.412 4.759 40 0 HJABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000017088784 560863813 /nfs/dbraw/zinc/86/38/13/560863813.db2.gz QWAQYPGQLGNARW-OWLDWWDNSA-N -1 0 411.310 4.802 40 0 HJABRM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000223792903 568559386 /nfs/dbraw/zinc/55/93/86/568559386.db2.gz GBSXCTSJLXQEBA-UHFFFAOYSA-N -1 0 417.870 4.720 40 0 HJABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCC2=CCCCC2)ccc1Cl ZINC000223956082 568564387 /nfs/dbraw/zinc/56/43/87/568564387.db2.gz BLLUWSDDJUKNCR-UHFFFAOYSA-N -1 0 418.946 4.679 40 0 HJABRM O=C([O-])[C@H](Cc1ccc(I)cc1)Oc1cccc2ccccc21 ZINC000225069037 568612386 /nfs/dbraw/zinc/61/23/86/568612386.db2.gz MFWZQBXPGLYWCU-SFHVURJKSA-N -1 0 418.230 4.519 40 0 HJABRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000225201560 568622542 /nfs/dbraw/zinc/62/25/42/568622542.db2.gz QTWWZWRTCOQUKK-UHFFFAOYSA-N -1 0 418.312 4.510 40 0 HJABRM COc1ccccc1-c1cc(=O)n2[n-]c(C)c(-c3ccc(Br)cc3)c2n1 ZINC000226851075 568698284 /nfs/dbraw/zinc/69/82/84/568698284.db2.gz BLCONWQSJKDFDT-UHFFFAOYSA-N -1 0 410.271 4.848 40 0 HJABRM O=C([O-])CSc1nnc(C(c2ccccc2)c2ccccc2)n1-c1ccccc1 ZINC000059497608 568708223 /nfs/dbraw/zinc/70/82/23/568708223.db2.gz IQGKRMMOZQJCQF-UHFFFAOYSA-N -1 0 401.491 4.624 40 0 HJABRM C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1 ZINC000260772098 568738481 /nfs/dbraw/zinc/73/84/81/568738481.db2.gz MJPHRICYADKSML-SMHULIPUSA-N -1 0 405.479 4.629 40 0 HJABRM CCn1c(S/C(=C\c2cccc(OC)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000211522453 569069900 /nfs/dbraw/zinc/06/99/00/569069900.db2.gz BNXAVQBYXOMUQT-ATVHPVEESA-N -1 0 415.902 4.845 40 0 HJABRM Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000006961497 569336175 /nfs/dbraw/zinc/33/61/75/569336175.db2.gz UKHYUAPDSCNOBC-WOJGMQOQSA-N -1 0 406.869 4.963 40 0 HJABRM O=C([O-])/C(=C/c1cccc([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2)o1 ZINC000007603218 569337757 /nfs/dbraw/zinc/33/77/57/569337757.db2.gz QQQHZCIHAWMLQC-ZROIWOOFSA-N -1 0 403.803 4.516 40 0 HJABRM Cc1nnc(S/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)[O-])o1 ZINC000007603774 569337824 /nfs/dbraw/zinc/33/78/24/569337824.db2.gz VZEBAWJZDXKWTQ-YVLHZVERSA-N -1 0 402.859 4.828 40 0 HJABRM CC(C)(C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329013961 571304995 /nfs/dbraw/zinc/30/49/95/571304995.db2.gz MSRQSSOEDVEEEE-UHFFFAOYSA-N -1 0 404.301 5.505 40 0 HJABRM O=C([O-])[C@H]1c2ccc(Br)cc2CCN1c1ccc(Cl)cc1Cl ZINC000002527033 132255297 /nfs/dbraw/zinc/25/52/97/132255297.db2.gz XIABTSHFZPCWHF-OAHLLOKOSA-N -1 0 401.087 4.944 40 0 HJABRM COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000020139239 521773125 /nfs/dbraw/zinc/77/31/25/521773125.db2.gz COQQUNSWIWFCRE-UHFFFAOYSA-N -1 0 400.228 4.561 40 0 HJABRM Cc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)[O-])o3)c(Br)c2)cc1 ZINC000226356438 526219105 /nfs/dbraw/zinc/21/91/05/526219105.db2.gz STVNSDBWFCLSHF-UHFFFAOYSA-N -1 0 400.228 4.968 40 0 HJABRM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000017094162 526369793 /nfs/dbraw/zinc/36/97/93/526369793.db2.gz ICXGSVUBVYIDRK-UHFFFAOYSA-N -1 0 424.909 4.683 40 0 HJABRM COC(=O)c1[n-]c2nn(-c3ccccc3)c(=O)c-2c2c1CCCCCCCCCC2 ZINC000001592562 557275060 /nfs/dbraw/zinc/27/50/60/557275060.db2.gz JFIGBWYMELVELZ-UHFFFAOYSA-N -1 0 407.514 4.720 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)c(C)c1 ZINC000408546631 557369712 /nfs/dbraw/zinc/36/97/12/557369712.db2.gz GFIYIHXNRFWHGJ-UHFFFAOYSA-N -1 0 420.962 4.774 40 0 HJABRM C[C@@]1(C(=O)[O-])CC[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@H]1C[C@H]1Nc2ccccc2C1=O ZINC000008615804 557796902 /nfs/dbraw/zinc/79/69/02/557796902.db2.gz LSPRYAWXULXANH-NXBYJIJWSA-N -1 0 423.553 4.668 40 0 HJABRM O=C([O-])c1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000009265542 557834117 /nfs/dbraw/zinc/83/41/17/557834117.db2.gz ARXFUIHLAJISSG-XDHOZWIPSA-N -1 0 422.437 4.551 40 0 HJABRM COc1cc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(OC)cc1Cl ZINC000020048756 558328082 /nfs/dbraw/zinc/32/80/82/558328082.db2.gz MTNJNKQQCMBVFL-UHFFFAOYSA-N -1 0 419.886 4.950 40 0 HJABRM Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3Cl)C2=O)c1 ZINC000101087353 558826942 /nfs/dbraw/zinc/82/69/42/558826942.db2.gz GLTQFBFWISJYOZ-VSKRKVRLSA-N -1 0 418.880 4.700 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1C(F)(F)F ZINC000071980534 558917304 /nfs/dbraw/zinc/91/73/04/558917304.db2.gz YJFARKRMFMBQRL-FOCKTWCOSA-N -1 0 413.436 4.564 40 0 HJABRM Cc1cc(Nc2ccccc2C(=O)[O-])c2cc(I)ccc2n1 ZINC000078401656 559012286 /nfs/dbraw/zinc/01/22/86/559012286.db2.gz LEBIWNVRMJVUHU-UHFFFAOYSA-N -1 0 404.207 4.590 40 0 HJABRM O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1Cc1cccc(F)c1 ZINC000585266926 559112822 /nfs/dbraw/zinc/11/28/22/559112822.db2.gz WQILUKHQWAQPFW-HXUWFJFHSA-N -1 0 411.864 4.900 40 0 HJABRM O=C([O-])CCN(CCc1ccccc1)C(=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000257233920 559283962 /nfs/dbraw/zinc/28/39/62/559283962.db2.gz GRJMEOXPEVJCRE-UHFFFAOYSA-N -1 0 421.468 4.564 40 0 HJABRM COc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])c(OC)c1 ZINC000408881335 560649883 /nfs/dbraw/zinc/64/98/83/560649883.db2.gz KSXCAXPYKZTXSL-UHFFFAOYSA-N -1 0 404.875 4.851 40 0 HJABRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccc(Cl)cc1 ZINC000408953829 560657208 /nfs/dbraw/zinc/65/72/08/560657208.db2.gz YICFGHMCERKBFL-UHFFFAOYSA-N -1 0 403.265 4.863 40 0 HJABRM COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@@H]32)cc1OC ZINC000409001940 560663948 /nfs/dbraw/zinc/66/39/48/560663948.db2.gz RBQBUVHCLZLIBL-PMOQBDJRSA-N -1 0 401.462 4.873 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000409409990 560721139 /nfs/dbraw/zinc/72/11/39/560721139.db2.gz SITFGOYLACRTHM-UHFFFAOYSA-N -1 0 408.523 4.973 40 0 HJABRM CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000006352238 560741158 /nfs/dbraw/zinc/74/11/58/560741158.db2.gz ZDMPTOSUPFWZOA-OAHLLOKOSA-N -1 0 408.951 4.676 40 0 HJABRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000015746643 560856172 /nfs/dbraw/zinc/85/61/72/560856172.db2.gz SFVLIEZTBJKXKQ-QTGCHDBNSA-N -1 0 411.310 4.802 40 0 HJABRM O=C([O-])COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2o1 ZINC000020157972 560881840 /nfs/dbraw/zinc/88/18/40/560881840.db2.gz JAFWEZLTBVFIBI-UHFFFAOYSA-N -1 0 422.824 4.864 40 0 HJABRM Cc1oc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1COc1ccc(-c2ccccc2)cc1 ZINC000005532426 568447090 /nfs/dbraw/zinc/44/70/90/568447090.db2.gz KKCOIEOFSXVUQW-NRFANRHFSA-N -1 0 405.450 4.523 40 0 HJABRM C[C@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCCC1)c1ccccc1 ZINC000217451439 568472226 /nfs/dbraw/zinc/47/22/26/568472226.db2.gz UWPHHQBXJCQZFF-INIZCTEOSA-N -1 0 416.543 4.559 40 0 HJABRM O=C(CN1C(=O)SC(=Cc2cc(Cl)c([O-])c(Cl)c2)C1=O)c1ccccc1 ZINC000409226471 568514361 /nfs/dbraw/zinc/51/43/61/568514361.db2.gz TZLVZNOVHFFCLV-NVNXTCNLSA-N -1 0 408.262 4.618 40 0 HJABRM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C(=O)[O-])cc3)N21 ZINC000222708929 568524298 /nfs/dbraw/zinc/52/42/98/568524298.db2.gz LZYVFQPTGVJUOK-TYCQWZJGSA-N -1 0 418.522 4.550 40 0 HJABRM CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC000222896247 568529986 /nfs/dbraw/zinc/52/99/86/568529986.db2.gz VYTBMNKKJHYXCJ-LEWJYISDSA-N -1 0 421.522 4.731 40 0 HJABRM CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000222937543 568531639 /nfs/dbraw/zinc/53/16/39/568531639.db2.gz MDSUZXFZYZXZGQ-RTWAWAEBSA-N -1 0 421.522 4.668 40 0 HJABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)c1 ZINC000223676236 568555851 /nfs/dbraw/zinc/55/58/51/568555851.db2.gz QJNHCJGEULMQCK-UHFFFAOYSA-N -1 0 415.536 4.797 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)CC(C)(C)C)cc1 ZINC000223933805 568563463 /nfs/dbraw/zinc/56/34/63/568563463.db2.gz WYUSNJUNQBJSOI-UHFFFAOYSA-N -1 0 402.560 4.740 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2Cl)c1 ZINC000225200913 568622575 /nfs/dbraw/zinc/62/25/75/568622575.db2.gz JNJFZMRCJYQMQI-HNNXBMFYSA-N -1 0 408.951 4.532 40 0 HJABRM COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000059409158 568705553 /nfs/dbraw/zinc/70/55/53/568705553.db2.gz ARMCNAWSVCFSQA-QFIPXVFZSA-N -1 0 420.490 4.669 40 0 HJABRM O=C([O-])CCSc1nnc(COc2cccc3ccccc32)n1-c1ccccc1 ZINC000004126765 568915350 /nfs/dbraw/zinc/91/53/50/568915350.db2.gz ONEYQUFCKREJEN-UHFFFAOYSA-N -1 0 405.479 4.566 40 0 HJABRM [O-]c1c(Cl)cc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1Cl ZINC000328993806 568971779 /nfs/dbraw/zinc/97/17/79/568971779.db2.gz JCJHOFBHDIWAOB-UHFFFAOYSA-N -1 0 421.250 4.840 40 0 HJABRM COC(=O)c1c(C[C@H](Cc2ccc3c(c2)CCCC3)C(=O)[O-])ccc2c1CCCC2 ZINC000006385132 569030557 /nfs/dbraw/zinc/03/05/57/569030557.db2.gz FHZMLZLDKUHDSZ-QFIPXVFZSA-N -1 0 406.522 4.717 40 0 HJABRM O=C([O-])c1cc(Cl)ccc1-c1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)o1 ZINC000006445266 569051957 /nfs/dbraw/zinc/05/19/57/569051957.db2.gz RUGITWNGTOERMG-NSCUHMNNSA-N -1 0 410.735 4.571 40 0 HJABRM O=C([O-])c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000007603911 569051984 /nfs/dbraw/zinc/05/19/84/569051984.db2.gz ZYUWLIRNASEBIE-UHFFFAOYSA-N -1 0 404.029 4.628 40 0 HJABRM Cc1nnc(S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)[O-])o1 ZINC000211530552 569069989 /nfs/dbraw/zinc/06/99/89/569069989.db2.gz HRLFPIDRONDQDS-YVLHZVERSA-N -1 0 402.859 4.828 40 0 HJABRM CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000007342972 569337108 /nfs/dbraw/zinc/33/71/08/569337108.db2.gz SWSBMPCDBPPANA-LDADJPATSA-N -1 0 412.471 4.535 40 0 HJABRM C#CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000007603240 569337785 /nfs/dbraw/zinc/33/77/85/569337785.db2.gz KFQJOSDHPLOQPA-ATVHPVEESA-N -1 0 412.854 4.620 40 0 HJABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000008470182 569341133 /nfs/dbraw/zinc/34/11/33/569341133.db2.gz XYDUZAAZWXCWIO-UHFFFAOYSA-N -1 0 408.841 4.851 40 0 HJABRM CCc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(F)cc3)C(=O)[N-]C2=S)cc1 ZINC000033569888 569350622 /nfs/dbraw/zinc/35/06/22/569350622.db2.gz FONKUGUMNVMIFD-XSFVSMFZSA-N -1 0 419.481 4.850 40 0 HJABRM CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000035125261 569351643 /nfs/dbraw/zinc/35/16/43/569351643.db2.gz OCHGCTKZLNPBGO-JXAWBTAJSA-N -1 0 408.454 4.771 40 0 HJABRM CCOc1cccc2sc([N-]S(=O)(=O)c3ccc(OC)c(C(C)(C)C)c3)nc21 ZINC000141522740 569354653 /nfs/dbraw/zinc/35/46/53/569354653.db2.gz USEVDSLGGUNHPU-UHFFFAOYSA-N -1 0 420.556 4.802 40 0 HJABRM O=C([O-])COc1ccccc1/C=C1/SC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000214837269 569356397 /nfs/dbraw/zinc/35/63/97/569356397.db2.gz CEHWTNMKWUYYSA-UDWIEESQSA-N -1 0 419.458 4.540 40 0 HJABRM CCOc1ccc(Nc2nc(-c3cc(OC)ccc3OC)c(CC(=O)[O-])s2)cc1 ZINC000019894592 521138334 /nfs/dbraw/zinc/13/83/34/521138334.db2.gz MJCLMUBQOBQVPD-UHFFFAOYSA-N -1 0 414.483 4.597 40 0 HJABRM Cc1cc(C)c(OCC(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c(Cl)c1 ZINC000020144367 524309064 /nfs/dbraw/zinc/30/90/64/524309064.db2.gz YHKSJNPSCAODIZ-UHFFFAOYSA-N -1 0 402.661 4.979 40 0 HJABRM Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N1C[C@H](C(=O)[O-])CC1=O ZINC000045887778 525822495 /nfs/dbraw/zinc/82/24/95/525822495.db2.gz BEBQJGYCIZTIKW-LLVKDONJSA-N -1 0 405.237 4.548 40 0 HJABRM O=C([O-])COc1ccc(NC(=O)c2cccc(Cl)c2)cc1-c1nc2ccccc2o1 ZINC000020157958 527618327 /nfs/dbraw/zinc/61/83/27/527618327.db2.gz HDJBTKDQCDYAGN-UHFFFAOYSA-N -1 0 422.824 4.864 40 0 HJABRM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1F ZINC000008699165 557016345 /nfs/dbraw/zinc/01/63/45/557016345.db2.gz QGICNEVQBKTRFK-NRFANRHFSA-N -1 0 409.388 4.629 40 0 HJABRM Cc1nnc(S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)[O-])o1 ZINC000408631126 557569716 /nfs/dbraw/zinc/56/97/16/557569716.db2.gz FCVWWYCDQVDDCZ-NVNXTCNLSA-N -1 0 421.272 4.927 40 0 HJABRM CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])ccc1O ZINC000408634980 557597940 /nfs/dbraw/zinc/59/79/40/557597940.db2.gz WBOTZRLDNONXDZ-YBEGLDIGSA-N -1 0 418.858 4.712 40 0 HJABRM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])s1 ZINC000035897789 557650756 /nfs/dbraw/zinc/65/07/56/557650756.db2.gz JDNUHGUKYOZZEW-CFGMGRTJSA-N -1 0 424.522 4.585 40 0 HJABRM COC(=O)/C(=C/c1ccc(/C=C(/C(=O)[O-])c2ccc(OC)cc2)o1)c1ccccc1 ZINC000005766194 557673558 /nfs/dbraw/zinc/67/35/58/557673558.db2.gz RCJZGELYXLOSJG-NNFYUIBOSA-N -1 0 404.418 4.627 40 0 HJABRM CCc1cccc(CC)c1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010009731 557853720 /nfs/dbraw/zinc/85/37/20/557853720.db2.gz TXPGUXBUOKHDFN-UHFFFAOYSA-N -1 0 414.552 4.926 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)cc1 ZINC000020104659 558332852 /nfs/dbraw/zinc/33/28/52/558332852.db2.gz KXFMJWGCQMYXHJ-UHFFFAOYSA-N -1 0 420.962 4.854 40 0 HJABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000020141331 558339070 /nfs/dbraw/zinc/33/90/70/558339070.db2.gz NECIUDJGDWALMU-UHFFFAOYSA-N -1 0 404.633 4.615 40 0 HJABRM Cc1ccccc1-c1cc(C[C@@]2(C(=O)[O-])CCCN(C(=O)CCC3CCCC3)C2)on1 ZINC000072395058 558973876 /nfs/dbraw/zinc/97/38/76/558973876.db2.gz FZVYAUQDLBNKGU-VWLOTQADSA-N -1 0 424.541 4.856 40 0 HJABRM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000001511545 560583354 /nfs/dbraw/zinc/58/33/54/560583354.db2.gz UIZUUVXQIBFHTF-WTNMVAAHSA-N -1 0 424.447 4.953 40 0 HJABRM COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@H]32)cc1OC ZINC000409001941 560663993 /nfs/dbraw/zinc/66/39/93/560663993.db2.gz RBQBUVHCLZLIBL-PTUXOGIPSA-N -1 0 401.462 4.873 40 0 HJABRM Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409221433 560698836 /nfs/dbraw/zinc/69/88/36/560698836.db2.gz QEZMPJKHLGMSOI-MOSHPQCFSA-N -1 0 418.474 4.720 40 0 HJABRM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102726155 560731821 /nfs/dbraw/zinc/73/18/21/560731821.db2.gz NJBXYNKCLWDUAR-RLLPEYFOSA-N -1 0 406.526 4.890 40 0 HJABRM Cc1oc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1COc1ccc2oc3ccccc3c2c1 ZINC000005126757 560736999 /nfs/dbraw/zinc/73/69/99/560736999.db2.gz PJYHODZLPSZAGQ-IBGZPJMESA-N -1 0 419.433 4.756 40 0 HJABRM CCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000006569757 560744180 /nfs/dbraw/zinc/74/41/80/560744180.db2.gz HSEVXAKZZJRNSO-UHFFFAOYSA-N -1 0 414.527 4.779 40 0 HJABRM C[C@@H](Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)[O-])c1ccccc1 ZINC000217583074 568472892 /nfs/dbraw/zinc/47/28/92/568472892.db2.gz OSNLQKINKLIZGO-MRXNPFEDSA-N -1 0 416.543 4.559 40 0 HJABRM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C(=O)[O-])cc3)N21 ZINC000222709044 568524309 /nfs/dbraw/zinc/52/43/09/568524309.db2.gz LZYVFQPTGVJUOK-MAODMQOUSA-N -1 0 418.522 4.550 40 0 HJABRM CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000222982384 568533150 /nfs/dbraw/zinc/53/31/50/568533150.db2.gz RLBYFUTVLUVFSA-SFTDATJTSA-N -1 0 421.522 4.812 40 0 HJABRM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000223842001 568560562 /nfs/dbraw/zinc/56/05/62/568560562.db2.gz WCQYWAWYZZTVOC-UHFFFAOYSA-N -1 0 401.871 4.594 40 0 HJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 ZINC000225055433 568611517 /nfs/dbraw/zinc/61/15/17/568611517.db2.gz KIIPZFNCMFBRSM-UHFFFAOYSA-N -1 0 424.522 4.674 40 0 HJABRM CC(C)(C)c1ccccc1O[C@H](Cc1ccc(I)cc1)C(=O)[O-] ZINC000225068005 568612322 /nfs/dbraw/zinc/61/23/22/568612322.db2.gz FQKGIMPLQUDWCT-QGZVFWFLSA-N -1 0 424.278 4.663 40 0 HJABRM O=C([O-])[C@@H](Cc1ccc(I)cc1)Oc1cccc2ccccc21 ZINC000225068998 568612416 /nfs/dbraw/zinc/61/24/16/568612416.db2.gz MFWZQBXPGLYWCU-GOSISDBHSA-N -1 0 418.230 4.519 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2Cl)c(C)c1 ZINC000225200851 568622518 /nfs/dbraw/zinc/62/25/18/568622518.db2.gz ACCIENWLIXHTDP-OAHLLOKOSA-N -1 0 408.951 4.532 40 0 HJABRM CCOC(=O)c1c([N-]S(=O)(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000059413255 568705404 /nfs/dbraw/zinc/70/54/04/568705404.db2.gz FRHUMRLAGOZROS-CQSZACIVSA-N -1 0 421.584 4.877 40 0 HJABRM CCOC(=O)c1c([N-]S(=O)(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000059413257 568705425 /nfs/dbraw/zinc/70/54/25/568705425.db2.gz FRHUMRLAGOZROS-AWEZNQCLSA-N -1 0 421.584 4.877 40 0 HJABRM CCc1ccc(CN(Cc2ccccc2)C(=O)COc2cc(C)ccc2C(=O)[O-])cc1 ZINC000257221097 568782252 /nfs/dbraw/zinc/78/22/52/568782252.db2.gz DNLUWHGLNNOYCC-UHFFFAOYSA-N -1 0 417.505 4.863 40 0 HJABRM COc1cccc(-c2cc(-c3ccc(C)cc3OCC(=O)[O-])nn2CC(C)C)c1OC ZINC000257235547 568786332 /nfs/dbraw/zinc/78/63/32/568786332.db2.gz GYGDKYHGHKKFHV-UHFFFAOYSA-N -1 0 424.497 4.662 40 0 HJABRM CCCCC(=O)N1CCC[C@@H]1c1nc(CCc2ccc(F)cc2)c(C(=O)[O-])s1 ZINC000257241393 568787827 /nfs/dbraw/zinc/78/78/27/568787827.db2.gz HXXBZFRGMQBDGO-QGZVFWFLSA-N -1 0 404.507 4.619 40 0 HJABRM COc1ccc2c(c1OC)C([O-])=C(C(=O)c1ccccc1)[C@@H]2CC(=O)c1ccccc1 ZINC000101571469 568936456 /nfs/dbraw/zinc/93/64/56/568936456.db2.gz NVRNWOFZPFEZRX-KNQAVFIVSA-N -1 0 414.457 4.756 40 0 HJABRM O=C([O-])C[C@@H](O)C[C@@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2nc1C1CC1 ZINC000011616583 568941549 /nfs/dbraw/zinc/94/15/49/568941549.db2.gz VGYFMXBACGZSIL-JUFISIKESA-N -1 0 421.468 4.518 40 0 investigational HJABRM O=C([O-])CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000033988977 569056824 /nfs/dbraw/zinc/05/68/24/569056824.db2.gz YOJPXOLPAHAPAQ-ISKFKSNPSA-N -1 0 419.452 4.974 40 0 HJABRM Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1 ZINC000016777497 569262758 /nfs/dbraw/zinc/26/27/58/569262758.db2.gz QVVJFOXZFXOARA-UHFFFAOYSA-N -1 0 408.527 4.581 40 0 HJABRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(F)cc2)C(=O)[O-])o1 ZINC000007342170 569336922 /nfs/dbraw/zinc/33/69/22/569336922.db2.gz POKDCIICGFPMLY-NVNXTCNLSA-N -1 0 406.822 4.756 40 0 HJABRM CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1nc2ccccc2o1)C(=O)[O-] ZINC000007365552 569337491 /nfs/dbraw/zinc/33/74/91/569337491.db2.gz UCJUEBRMWSSKDE-LDADJPATSA-N -1 0 413.455 4.800 40 0 HJABRM CCn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1cc(Cl)ccc1OC ZINC000007605209 569337938 /nfs/dbraw/zinc/33/79/38/569337938.db2.gz IPXOZXRRRLFTAP-UHFFFAOYSA-N -1 0 403.891 4.618 40 0 HJABRM CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1cc(Cl)ccc1OC ZINC000007605240 569337962 /nfs/dbraw/zinc/33/79/62/569337962.db2.gz XTOIMSLUVONZQO-UHFFFAOYSA-N -1 0 403.891 4.618 40 0 HJABRM COc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)[O-])cc1 ZINC000408900560 571308765 /nfs/dbraw/zinc/30/87/65/571308765.db2.gz WBWSRIDIWPZKJY-UHFFFAOYSA-N -1 0 409.294 5.496 40 0 HJABRM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1F ZINC000008699166 557016294 /nfs/dbraw/zinc/01/62/94/557016294.db2.gz QGICNEVQBKTRFK-OAQYLSRUSA-N -1 0 409.388 4.629 40 0 HJABRM O=c1c([C@@H](O)c2c(Cl)cccc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000003848971 557500931 /nfs/dbraw/zinc/50/09/31/557500931.db2.gz FFQYGZXPGZSGTG-KGLIPLIRSA-N -1 0 403.187 4.608 40 0 HJABRM O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000006251264 557696310 /nfs/dbraw/zinc/69/63/10/557696310.db2.gz WTZDJXNGMALLBS-ZZXKWVIFSA-N -1 0 401.702 4.879 40 0 HJABRM C[C@@H](C(=O)[O-])N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O ZINC000008220395 557776839 /nfs/dbraw/zinc/77/68/39/557776839.db2.gz JWEROVQUXOREET-ITTMYVLYSA-N -1 0 409.872 4.594 40 0 HJABRM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCCC1 ZINC000020108222 558334294 /nfs/dbraw/zinc/33/42/94/558334294.db2.gz LQEHLWKCLLCMIF-UHFFFAOYSA-N -1 0 422.506 4.516 40 0 HJABRM Cc1nc([N-]c2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)nc2ccccc12 ZINC000020634911 558395597 /nfs/dbraw/zinc/39/55/97/558395597.db2.gz QOIGCLBPGKHLFE-AWEZNQCLSA-N -1 0 401.495 4.754 40 0 HJABRM Cc1c(C)c(NC(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccccc2)c1[O-] ZINC000026786983 558665390 /nfs/dbraw/zinc/66/53/90/558665390.db2.gz GCSSUFIPIDOFCL-UHFFFAOYSA-N -1 0 415.898 4.748 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000015012222 558700686 /nfs/dbraw/zinc/70/06/86/558700686.db2.gz KZQIMKSYYSWQBO-WQRHYEAKSA-N -1 0 422.824 4.704 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)cc1Cl ZINC000071980421 558917188 /nfs/dbraw/zinc/91/71/88/558917188.db2.gz VYFPDYBUSNSHCJ-DBCMNUGHSA-N -1 0 414.329 4.852 40 0 HJABRM CCCn1cc(CCC(=O)N(CCC(=O)[O-])CCc2ccccc2)c2ccccc21 ZINC000257293520 559285721 /nfs/dbraw/zinc/28/57/21/559285721.db2.gz QPVSGHGUFFZFKE-UHFFFAOYSA-N -1 0 406.526 4.530 40 0 HJABRM CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)S2)cc1 ZINC000408782224 560641143 /nfs/dbraw/zinc/64/11/43/560641143.db2.gz GGJMGWPAMXPYPL-BXDIUNCMSA-N -1 0 420.490 4.807 40 0 HJABRM O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1cccc2ccccc21 ZINC000408973317 560659811 /nfs/dbraw/zinc/65/98/11/560659811.db2.gz YHQINIHXISQOMN-UHFFFAOYSA-N -1 0 402.425 4.849 40 0 HJABRM O=C([O-])Cn1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409141361 560683492 /nfs/dbraw/zinc/68/34/92/560683492.db2.gz IHXVYDYMISWUSN-MFOYZWKCSA-N -1 0 412.854 4.620 40 0 HJABRM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)o1 ZINC000409212467 560695737 /nfs/dbraw/zinc/69/57/37/560695737.db2.gz QHZAHQWAWWDQTA-ZHZULCJRSA-N -1 0 419.458 4.924 40 0 HJABRM Cc1cccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000409246845 560701647 /nfs/dbraw/zinc/70/16/47/560701647.db2.gz FHUZIIZUBTVHIX-MOSHPQCFSA-N -1 0 418.474 4.720 40 0 HJABRM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102726147 560731591 /nfs/dbraw/zinc/73/15/91/560731591.db2.gz NJBXYNKCLWDUAR-OUFMZXHOSA-N -1 0 406.526 4.890 40 0 HJABRM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000102725994 560731621 /nfs/dbraw/zinc/73/16/21/560731621.db2.gz QGBCDYBRZMPPGI-OUFMZXHOSA-N -1 0 406.526 4.890 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2Cl)cc1C ZINC000010112566 560764209 /nfs/dbraw/zinc/76/42/09/560764209.db2.gz JGBAWKIWULPGKO-CQSZACIVSA-N -1 0 420.962 4.630 40 0 HJABRM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000013997877 560832118 /nfs/dbraw/zinc/83/21/18/560832118.db2.gz SRRWCBFPVLYVGC-UHFFFAOYSA-N -1 0 411.552 4.913 40 0 HJABRM O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000014155153 560840048 /nfs/dbraw/zinc/84/00/48/560840048.db2.gz BDMQRNNIEINWNP-UHFFFAOYSA-N -1 0 422.840 4.671 40 0 HJABRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000016101159 560859734 /nfs/dbraw/zinc/85/97/34/560859734.db2.gz ZBBRGIHTJPFMQK-UHFFFAOYSA-N -1 0 411.104 4.565 40 0 HJABRM O=C([O-])[C@@H]1[C@H](C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)[C@@H]2CC[C@H]1C2 ZINC000005094784 568433385 /nfs/dbraw/zinc/43/33/85/568433385.db2.gz QWAQYPGQLGNARW-MMDVMMEASA-N -1 0 411.310 4.802 40 0 HJABRM C[C@@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000217477762 568472223 /nfs/dbraw/zinc/47/22/23/568472223.db2.gz VKIXHDNJTZEGLQ-SJORKVTESA-N -1 0 424.522 4.597 40 0 HJABRM C[C@H](Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)[O-])c1ccccc1 ZINC000217610475 568473096 /nfs/dbraw/zinc/47/30/96/568473096.db2.gz IKXVPCRAVNLGBP-IRXDYDNUSA-N -1 0 424.522 4.597 40 0 HJABRM CC(C)CSc1nnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000222859875 568528756 /nfs/dbraw/zinc/52/87/56/568528756.db2.gz TZWHEDCCVRPWOK-UHFFFAOYSA-N -1 0 412.389 4.535 40 0 HJABRM CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000222982443 568533153 /nfs/dbraw/zinc/53/31/53/568533153.db2.gz RLBYFUTVLUVFSA-RTWAWAEBSA-N -1 0 421.522 4.812 40 0 HJABRM COc1cc(C)c(S(=O)(=O)[N-]c2nnc(SCC(C)C)s2)cc1C(C)C ZINC000223542582 568551289 /nfs/dbraw/zinc/55/12/89/568551289.db2.gz HSCBTRPXJLXGJT-UHFFFAOYSA-N -1 0 415.606 4.527 40 0 HJABRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1NC(=O)C(C)C ZINC000225802254 568675577 /nfs/dbraw/zinc/67/55/77/568675577.db2.gz UTSODUVZILCYSY-UHFFFAOYSA-N -1 0 422.572 4.591 40 0 HJABRM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1Oc1ccccc1 ZINC000257232544 568785597 /nfs/dbraw/zinc/78/55/97/568785597.db2.gz GLIBNMXBHRGPFA-UHFFFAOYSA-N -1 0 421.396 4.616 40 0 HJABRM CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(C[C@@H](O)CC)n1 ZINC000257235855 568786604 /nfs/dbraw/zinc/78/66/04/568786604.db2.gz GZVLHIVYZLDDSN-SFHVURJKSA-N -1 0 412.461 4.614 40 0 HJABRM CC(C)(C)C(=O)N1CCC[C@H]1c1nc(COc2ccccc2Cl)c(C(=O)[O-])s1 ZINC000257272107 568796168 /nfs/dbraw/zinc/79/61/68/568796168.db2.gz NBCIEQRAKDWCOD-AWEZNQCLSA-N -1 0 422.934 4.783 40 0 HJABRM Cc1cc([O-])c(C2=Nc3ccccc3N[C@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 ZINC000227173287 568828560 /nfs/dbraw/zinc/82/85/60/568828560.db2.gz IGORFQMYNGLKMT-KRWDZBQOSA-N -1 0 412.392 4.933 40 0 HJABRM COC(=O)c1c(C[C@@H](Cc2ccc3c(c2)CCCC3)C(=O)[O-])ccc2c1CCCC2 ZINC000005537766 569020692 /nfs/dbraw/zinc/02/06/92/569020692.db2.gz FHZMLZLDKUHDSZ-JOCHJYFZSA-N -1 0 406.522 4.717 40 0 HJABRM C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000034212927 569290482 /nfs/dbraw/zinc/29/04/82/569290482.db2.gz ORQZAESELNKXTJ-OXJNMPFZSA-N -1 0 413.514 4.972 40 0 HJABRM CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000006352288 569331302 /nfs/dbraw/zinc/33/13/02/569331302.db2.gz PYZRINZMRQOMQR-UHFFFAOYSA-N -1 0 414.914 4.956 40 0 HJABRM C#CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000007603237 569337742 /nfs/dbraw/zinc/33/77/42/569337742.db2.gz HVFXJJWHXWCXEU-ATVHPVEESA-N -1 0 412.854 4.620 40 0 HJABRM C=CCOc1cccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c1 ZINC000007603263 569337772 /nfs/dbraw/zinc/33/77/72/569337772.db2.gz ZSRPQRVWUGIDDS-ATVHPVEESA-N -1 0 413.886 4.908 40 0 HJABRM Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(OCC(=O)[O-])c2)c1 ZINC000020158259 524216379 /nfs/dbraw/zinc/21/63/79/524216379.db2.gz DFOWYJLIUHOOGD-UHFFFAOYSA-N -1 0 418.474 4.987 40 0 HJABRM C[C@H]1CCc2c(sc3nc(-c4ccc(-c5cccc(C(=O)[O-])c5)o4)[nH]c(=O)c23)C1 ZINC000041076807 524438261 /nfs/dbraw/zinc/43/82/61/524438261.db2.gz FZWUSULSNNVZNY-NSHDSACASA-N -1 0 406.463 4.735 40 0 HJABRM C[C@](Cc1ccccc1F)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000044460270 525143121 /nfs/dbraw/zinc/14/31/21/525143121.db2.gz VNYGHKCAXQKZEQ-RUZDIDTESA-N -1 0 419.452 4.750 40 0 HJABRM C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000002560696 557356632 /nfs/dbraw/zinc/35/66/32/557356632.db2.gz ORQZAESELNKXTJ-UZLBHIALSA-N -1 0 413.514 4.972 40 0 HJABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC(C(C)C)C(C)C)ccc1Cl ZINC000408547425 557370290 /nfs/dbraw/zinc/37/02/90/557370290.db2.gz JJSBQJDONNCJJS-UHFFFAOYSA-N -1 0 422.978 4.860 40 0 HJABRM CCCCCCC(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)[O-])c1ccccc1Cl ZINC000005618937 557665514 /nfs/dbraw/zinc/66/55/14/557665514.db2.gz QSKPZKQBDISPJO-OALUTQOASA-N -1 0 413.967 4.633 40 0 HJABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1O ZINC000020145435 558340153 /nfs/dbraw/zinc/34/01/53/558340153.db2.gz HADQMLCSDYIENH-XBXARRHUSA-N -1 0 401.777 4.795 40 0 HJABRM Cc1nc([N-]c2nc(C)c3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)nc2ccccc12 ZINC000020634848 558395609 /nfs/dbraw/zinc/39/56/09/558395609.db2.gz FTKMUJWVOCTNJX-MRXNPFEDSA-N -1 0 413.456 4.832 40 0 HJABRM CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000030848725 558739618 /nfs/dbraw/zinc/73/96/18/558739618.db2.gz JPZFPVPQHFVVTI-NRFANRHFSA-N -1 0 408.523 4.677 40 0 HJABRM C[C@H](OC(C)(C)C)[C@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038138675 558810786 /nfs/dbraw/zinc/81/07/86/558810786.db2.gz VIUVLZHFMIFLHU-YCRPNKLZSA-N -1 0 411.498 4.524 40 0 HJABRM O=C([O-])C(=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000038289788 558811288 /nfs/dbraw/zinc/81/12/88/558811288.db2.gz ALTFIMDUFNNVBD-UHFFFAOYSA-N -1 0 414.486 4.814 40 0 HJABRM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1ccc2c(c1)CCN2 ZINC000078403714 559012322 /nfs/dbraw/zinc/01/23/22/559012322.db2.gz UTGWEHLXXYGPKE-UHFFFAOYSA-N -1 0 400.887 4.901 40 0 HJABRM CCc1ccc(C[C@@]2(C)Cc3cc(C(=O)N(CCC(=O)[O-])CC(C)C)ccc3O2)cc1 ZINC000585268039 559113068 /nfs/dbraw/zinc/11/30/68/559113068.db2.gz UUZMVPXQBGATDY-SANMLTNESA-N -1 0 423.553 4.758 40 0 HJABRM CCC[C@H](CC(=O)[O-])c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@@H](C)[C@H](C)C2=O ZINC000072320174 560078144 /nfs/dbraw/zinc/07/81/44/560078144.db2.gz UDVTWMLZUGXNQM-SOUVJXGZSA-N -1 0 404.503 4.868 40 0 biogenic,in-vitro HJABRM Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000409107183 560678630 /nfs/dbraw/zinc/67/86/30/560678630.db2.gz QSUQEYDMIRDTFB-MOSHPQCFSA-N -1 0 418.474 4.720 40 0 HJABRM O=C([O-])CN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O ZINC000409135833 560682371 /nfs/dbraw/zinc/68/23/71/560682371.db2.gz QTZJKKRPSSEJRK-DHDCSXOGSA-N -1 0 405.884 4.612 40 0 HJABRM Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2C)c1 ZINC000409368032 560716505 /nfs/dbraw/zinc/71/65/05/560716505.db2.gz LSTUIPQZTCXUJM-GOSISDBHSA-N -1 0 408.523 4.595 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)c1 ZINC000409412161 560721819 /nfs/dbraw/zinc/72/18/19/560721819.db2.gz SJQNWNULLSNDGF-UHFFFAOYSA-N -1 0 422.978 4.860 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2Cl)c1 ZINC000010112563 560764215 /nfs/dbraw/zinc/76/42/15/560764215.db2.gz DRNUHQIIPAPXPU-HNNXBMFYSA-N -1 0 420.962 4.630 40 0 HJABRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000223673808 568555709 /nfs/dbraw/zinc/55/57/09/568555709.db2.gz RBDOQDDYQKUYCS-UHFFFAOYSA-N -1 0 410.586 4.526 40 0 HJABRM O=C([O-])[C@@H](Cc1ccc(I)cc1)Sc1ccc(Cl)cc1 ZINC000225069387 568612372 /nfs/dbraw/zinc/61/23/72/568612372.db2.gz JEEHZTOZTFEXOW-CQSZACIVSA-N -1 0 418.683 4.733 40 0 HJABRM CSc1ccc([C@H](CC(=O)[O-])NC(=S)Nc2ccc3sncc3c2)cc1 ZINC000225214967 568623717 /nfs/dbraw/zinc/62/37/17/568623717.db2.gz OJMLZRPUSIMYMU-HNNXBMFYSA-N -1 0 403.554 4.521 40 0 HJABRM Cc1nc(-c2cccc(NC(=S)N[C@H](CC(=O)[O-])c3ccc(F)cc3)c2)cs1 ZINC000225218896 568624059 /nfs/dbraw/zinc/62/40/59/568624059.db2.gz FHWNLBPCTCBHPE-QGZVFWFLSA-N -1 0 415.515 4.760 40 0 HJABRM COc1ccccc1-c1cccc(C(=O)N(CCC(=O)[O-])CCc2ccccc2)c1 ZINC000257223707 568783141 /nfs/dbraw/zinc/78/31/41/568783141.db2.gz DYOOCWOLSXGXIT-UHFFFAOYSA-N -1 0 403.478 4.522 40 0 HJABRM CCc1ccccc1CN(Cc1ccccc1)C(=O)COc1cc(C)ccc1C(=O)[O-] ZINC000257321518 568810830 /nfs/dbraw/zinc/81/08/30/568810830.db2.gz WBZSPDDFNKGTOQ-UHFFFAOYSA-N -1 0 417.505 4.863 40 0 HJABRM O=S(=O)([N-]c1cnc(Oc2ccccc2F)nc1)c1ccc(Cl)c(Cl)c1 ZINC000224287073 569056786 /nfs/dbraw/zinc/05/67/86/569056786.db2.gz NNWZEAZUOOZWFZ-UHFFFAOYSA-N -1 0 414.245 4.516 40 0 HJABRM Cc1sc2nc(-c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)[nH]c(=O)c2c1C ZINC000005408934 569328552 /nfs/dbraw/zinc/32/85/52/569328552.db2.gz LQUPDOKEKXDLRE-UHFFFAOYSA-N -1 0 400.843 4.880 40 0 HJABRM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(C(=O)[O-])ccc3C)o2)cc1C ZINC000006044500 569329348 /nfs/dbraw/zinc/32/93/48/569329348.db2.gz LXBYJKUVONPTID-UHFFFAOYSA-N -1 0 408.479 4.697 40 0 HJABRM CCCc1nc(SC(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)[O-])n[nH]1 ZINC000007342322 569337072 /nfs/dbraw/zinc/33/70/72/569337072.db2.gz FTSCUUIHQYDZJR-PDGQHHTCSA-N -1 0 413.474 4.693 40 0 HJABRM Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])o1 ZINC000007365696 569337459 /nfs/dbraw/zinc/33/74/59/569337459.db2.gz ICLOPCUVCLCOMB-APSNUPSMSA-N -1 0 407.854 4.796 40 0 HJABRM CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000033732859 569351186 /nfs/dbraw/zinc/35/11/86/569351186.db2.gz INKIZHXRHRWJMI-QGOAFFKASA-N -1 0 424.522 4.718 40 0 HJABRM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(C(=O)[O-])c3C)o2)cc1C ZINC000107619655 569352732 /nfs/dbraw/zinc/35/27/32/569352732.db2.gz IRRPBVWEAXZMSJ-UHFFFAOYSA-N -1 0 408.479 4.697 40 0 HJABRM CC(C)(C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329070368 571305024 /nfs/dbraw/zinc/30/50/24/571305024.db2.gz ZGTDIVCZMSBRBB-UHFFFAOYSA-N -1 0 404.301 5.505 40 0 HJABRM O=C([O-])COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1 ZINC000008703677 132332246 /nfs/dbraw/zinc/33/22/46/132332246.db2.gz UUEWJYJPTPVFAS-OAQYLSRUSA-N -1 0 408.841 4.575 40 0 HJABRM CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C(C)C)ccc3OC)sc2c1 ZINC000072414481 521305142 /nfs/dbraw/zinc/30/51/42/521305142.db2.gz BLYRTUCAFGGJFX-UHFFFAOYSA-N -1 0 406.529 4.628 40 0 HJABRM Cc1ccc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020484068 525717976 /nfs/dbraw/zinc/71/79/76/525717976.db2.gz UXHDUSQXPAVHSI-GOSISDBHSA-N -1 0 408.523 4.595 40 0 HJABRM O=C(Cc1ccc(Cl)cc1)Nc1cc(Br)c([O-])c(Br)c1 ZINC000032116553 527223777 /nfs/dbraw/zinc/22/37/77/527223777.db2.gz HWECOFZFJJHWRZ-UHFFFAOYSA-N -1 0 419.500 4.752 40 0 HJABRM CCOc1cc(C(=O)[O-])ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540605 557368998 /nfs/dbraw/zinc/36/89/98/557368998.db2.gz UJDGWVWNNQGLEP-UHFFFAOYSA-N -1 0 408.450 4.950 40 0 HJABRM O=c1c([C@@H](O)c2ccc(Cl)cc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000003849070 557500895 /nfs/dbraw/zinc/50/08/95/557500895.db2.gz QWZJUFPQEBQGRT-KGLIPLIRSA-N -1 0 403.187 4.608 40 0 HJABRM CCc1nnc(S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)[O-])o1 ZINC000408630483 557568710 /nfs/dbraw/zinc/56/87/10/557568710.db2.gz AEVXMAXVIHXLDE-ZROIWOOFSA-N -1 0 421.272 4.872 40 0 HJABRM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000408712901 557744276 /nfs/dbraw/zinc/74/42/76/557744276.db2.gz AIQAVKLFDSLJNX-UHFFFAOYSA-N -1 0 412.298 4.583 40 0 HJABRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Br ZINC000020142288 558339035 /nfs/dbraw/zinc/33/90/35/558339035.db2.gz ZULWYNWVWWJRHF-UHFFFAOYSA-N -1 0 419.058 4.715 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020152434 558341337 /nfs/dbraw/zinc/34/13/37/558341337.db2.gz ABQPWOHUGOYHBE-UHFFFAOYSA-N -1 0 414.870 4.733 40 0 HJABRM Cc1nn(-c2ccccc2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1-c1ccccc1 ZINC000020636415 558395983 /nfs/dbraw/zinc/39/59/83/558395983.db2.gz VVSAVIPWJNSJGU-UHFFFAOYSA-N -1 0 403.507 4.957 40 0 HJABRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000022259250 558474854 /nfs/dbraw/zinc/47/48/54/558474854.db2.gz HRLBLDVQWYQVFI-UHFFFAOYSA-N -1 0 400.544 4.673 40 0 HJABRM CC(C)(C)O[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000000643284 558828762 /nfs/dbraw/zinc/82/87/62/558828762.db2.gz OHWTZEARHIOFMA-IAGOWNOFSA-N -1 0 423.509 4.668 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000071980470 558917202 /nfs/dbraw/zinc/91/72/02/558917202.db2.gz CQUYXUUYOXCIRX-FOCKTWCOSA-N -1 0 414.329 4.852 40 0 HJABRM Cc1ccc2nc([N-]S(=O)(=O)c3cc(Br)c(C)cc3C)sc2c1 ZINC000072414493 558978139 /nfs/dbraw/zinc/97/81/39/558978139.db2.gz QMJJPLMBICOYSI-UHFFFAOYSA-N -1 0 411.346 4.785 40 0 HJABRM CCOC(=O)c1c([N-]S(=O)(=O)c2cc(C)c(C)cc2C)sc2c1CCCC2 ZINC000072414567 558978170 /nfs/dbraw/zinc/97/81/70/558978170.db2.gz HZQNZBXTVFYGFX-UHFFFAOYSA-N -1 0 407.557 4.530 40 0 HJABRM Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cc(I)ccc2n1 ZINC000078401651 559012339 /nfs/dbraw/zinc/01/23/39/559012339.db2.gz VTQMAWLCLSONBQ-UHFFFAOYSA-N -1 0 404.207 4.590 40 0 HJABRM CC(C)c1ccc(CCc2nc(N(C)CCc3ccccc3)ncc2C(=O)[O-])cc1 ZINC000585266251 559112723 /nfs/dbraw/zinc/11/27/23/559112723.db2.gz ZHBOPPASVGLRHA-UHFFFAOYSA-N -1 0 403.526 4.762 40 0 HJABRM O=c1c([C@H](O)c2ccc(Cl)cc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100355020 559134303 /nfs/dbraw/zinc/13/43/03/559134303.db2.gz QWZJUFPQEBQGRT-UONOGXRCSA-N -1 0 403.187 4.608 40 0 HJABRM C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@H]1CCC(=O)[O-] ZINC000118936256 559206569 /nfs/dbraw/zinc/20/65/69/559206569.db2.gz WEBIGGMMPNOWDP-KGMGHHKFSA-N -1 0 404.591 4.884 40 0 HJABRM COc1ccccc1Cc1cnc([C@H]2CCCCN2Cc2ccc(C(=O)[O-])cc2)o1 ZINC000257209272 559282593 /nfs/dbraw/zinc/28/25/93/559282593.db2.gz BPSWYPSXGMVYCW-OAQYLSRUSA-N -1 0 406.482 4.699 40 0 HJABRM Cc1nnc(SC(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)[O-])[nH]1 ZINC000409188955 560688230 /nfs/dbraw/zinc/68/82/30/560688230.db2.gz LJLJXNBDWZCNQA-GRSHGNNSSA-N -1 0 424.913 4.987 40 0 HJABRM CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000409381358 560717244 /nfs/dbraw/zinc/71/72/44/560717244.db2.gz LSTBOKORTHTGIT-UHFFFAOYSA-N -1 0 414.914 4.956 40 0 HJABRM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000014013215 560837618 /nfs/dbraw/zinc/83/76/18/560837618.db2.gz UANVUMZRKKCMOB-JOCHJYFZSA-N -1 0 424.522 4.592 40 0 HJABRM O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1cccc(Br)c1 ZINC000017092074 560866796 /nfs/dbraw/zinc/86/67/96/560866796.db2.gz ONZHSFVJKURMEP-UHFFFAOYSA-N -1 0 420.115 4.588 40 0 HJABRM O=C([O-])COc1ccc(NC(=O)c2cccs2)cc1-c1nc2ccccc2s1 ZINC000020158044 560881799 /nfs/dbraw/zinc/88/17/99/560881799.db2.gz ZVRYTUSSKIMCPQ-UHFFFAOYSA-N -1 0 410.476 4.741 40 0 HJABRM O=C([O-])COc1ccc(NC(=O)c2ccc(F)cc2)cc1-c1nc2ccccc2s1 ZINC000020157997 560881800 /nfs/dbraw/zinc/88/18/00/560881800.db2.gz KXGPPVMNWBKNJE-UHFFFAOYSA-N -1 0 422.437 4.818 40 0 HJABRM C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1 ZINC000222631192 568521545 /nfs/dbraw/zinc/52/15/45/568521545.db2.gz MJPHRICYADKSML-SVIJTADQSA-N -1 0 405.479 4.629 40 0 HJABRM CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC000222896179 568529974 /nfs/dbraw/zinc/52/99/74/568529974.db2.gz VYTBMNKKJHYXCJ-RTWAWAEBSA-N -1 0 421.522 4.731 40 0 HJABRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000223673884 568555752 /nfs/dbraw/zinc/55/57/52/568555752.db2.gz AYYUUJCXMMJKTM-GOSISDBHSA-N -1 0 408.523 4.595 40 0 HJABRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c1 ZINC000223836844 568560440 /nfs/dbraw/zinc/56/04/40/568560440.db2.gz DWRDSNVBJNPPIP-UHFFFAOYSA-N -1 0 413.520 4.734 40 0 HJABRM CC(C)(C)c1ccc(O[C@@H](Cc2ccc(I)cc2)C(=O)[O-])cc1 ZINC000225068060 568612344 /nfs/dbraw/zinc/61/23/44/568612344.db2.gz XFJHNQDVXRZPBQ-KRWDZBQOSA-N -1 0 424.278 4.663 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2Cl)c(C)c1 ZINC000225200808 568622198 /nfs/dbraw/zinc/62/21/98/568622198.db2.gz ACCIENWLIXHTDP-HNNXBMFYSA-N -1 0 408.951 4.532 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2Cl)cc1C ZINC000225201006 568622415 /nfs/dbraw/zinc/62/24/15/568622415.db2.gz CFTYPGQLCUXOEF-HNNXBMFYSA-N -1 0 408.951 4.532 40 0 HJABRM COc1ccc(C(=O)[O-])cc1NCc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000020879577 568647409 /nfs/dbraw/zinc/64/74/09/568647409.db2.gz GQKSXKLWLNAIRS-UHFFFAOYSA-N -1 0 407.466 4.636 40 0 HJABRM CC(C)c1ccc(C(=O)NC(=S)Nc2c(Cl)cc(C(=O)[O-])cc2Cl)cc1 ZINC000059843119 568709372 /nfs/dbraw/zinc/70/93/72/568709372.db2.gz ZLUVOMWRXPRQGG-UHFFFAOYSA-N -1 0 411.310 4.942 40 0 HJABRM CN(CCCc1nc(N2CCC[C@H]2c2ccccc2)ncc1C(=O)[O-])c1ccccc1 ZINC000257212458 568779844 /nfs/dbraw/zinc/77/98/44/568779844.db2.gz CDLVKSPUMLTWRI-QHCPKHFHSA-N -1 0 416.525 4.585 40 0 HJABRM Cc1ccc(C(C)C)cc1OCCNc1ncc(C(=O)[O-])c(CCc2ccccc2)n1 ZINC000257310961 568807508 /nfs/dbraw/zinc/80/75/08/568807508.db2.gz UHIRCCKFAUNBCR-UHFFFAOYSA-N -1 0 419.525 4.883 40 0 HJABRM COc1cccc(CN(CC(=O)[O-])C(=O)c2ccccc2Oc2ccc(C)cc2)c1 ZINC000257323567 568811506 /nfs/dbraw/zinc/81/15/06/568811506.db2.gz WKXRBWZNMGVACX-UHFFFAOYSA-N -1 0 405.450 4.523 40 0 HJABRM CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@@H](O)CC)n1 ZINC000257328717 568812791 /nfs/dbraw/zinc/81/27/91/568812791.db2.gz XGVHHFGCMBUDPO-KRWDZBQOSA-N -1 0 414.889 4.738 40 0 HJABRM Cc1cccc(-c2cc(C[C@]3(C(=O)[O-])CCCN(C(=O)CCC4CCCC4)C3)on2)c1 ZINC000057773695 568860597 /nfs/dbraw/zinc/86/05/97/568860597.db2.gz KSQKBWGVADBKJT-RUZDIDTESA-N -1 0 424.541 4.856 40 0 HJABRM CC1(C)[C@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[C@@]1(C)C(=O)[O-] ZINC000006829026 568936917 /nfs/dbraw/zinc/93/69/17/568936917.db2.gz MHORALJDMGGTAR-BTDLBPIBSA-N -1 0 416.421 4.661 40 0 HJABRM Cc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)[O-])o1 ZINC000007603772 569337808 /nfs/dbraw/zinc/33/78/08/569337808.db2.gz SEUBQOJXJXESCE-YVLHZVERSA-N -1 0 402.859 4.828 40 0 HJABRM CCn1c(S/C(=C\c2ccccc2O)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000209172165 569355859 /nfs/dbraw/zinc/35/58/59/569355859.db2.gz QKQBSCNLJDYLGF-WJDWOHSUSA-N -1 0 401.875 4.542 40 0 HJABRM CCc1nc(SC(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)[O-])n[nH]1 ZINC000213393279 569356129 /nfs/dbraw/zinc/35/61/29/569356129.db2.gz HHYROCOSQHJSAP-BOPFTXTBSA-N -1 0 415.902 4.817 40 0 HJABRM CCC[C@H](CC(=O)[O-])c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@H](C)[C@@H](C)C2=O ZINC000229764287 291275223 /nfs/dbraw/zinc/27/52/23/291275223.db2.gz UDVTWMLZUGXNQM-RBSFLKMASA-N -1 0 404.503 4.868 40 0 biogenic,in-vitro HJABRM COc1ccc(OC)c(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])c1 ZINC000019894590 524796232 /nfs/dbraw/zinc/79/62/32/524796232.db2.gz ZGLFICAXSBNKLR-UHFFFAOYSA-N -1 0 404.875 4.851 40 0 HJABRM Nc1ccc(S(=O)(=O)[N-]c2cc(/C=C/c3ccc(Cl)cc3Cl)ccn2)cc1 ZINC000032604024 527500058 /nfs/dbraw/zinc/50/00/58/527500058.db2.gz KBJMOVJFZDAPSG-OWOJBTEDSA-N -1 0 420.321 4.942 40 0 HJABRM COc1cccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@H]32)c1OC ZINC000002860474 557409535 /nfs/dbraw/zinc/40/95/35/557409535.db2.gz REQDACGXRQSKGJ-KJXAQDMKSA-N -1 0 401.462 4.873 40 0 HJABRM CCc1nnc(S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)[O-])o1 ZINC000408632259 557578070 /nfs/dbraw/zinc/57/80/70/557578070.db2.gz PKHWNZOXBLKHQG-ODLFYWEKSA-N -1 0 423.469 4.992 40 0 HJABRM COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1OC ZINC000408633688 557591670 /nfs/dbraw/zinc/59/16/70/557591670.db2.gz LNIXUYXDUASZBJ-YBEGLDIGSA-N -1 0 418.858 4.625 40 0 HJABRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(C)c2C)C(=O)[O-])o1 ZINC000408634228 557595094 /nfs/dbraw/zinc/59/50/94/557595094.db2.gz SIYNXVQGBALVEA-PXNMLYILSA-N -1 0 419.890 4.572 40 0 HJABRM Cc1nnc(S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)[O-])o1 ZINC000007603519 557750825 /nfs/dbraw/zinc/75/08/25/557750825.db2.gz DPFOLGDOAQEGBO-YVLHZVERSA-N -1 0 402.859 4.828 40 0 HJABRM Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000035897678 557829512 /nfs/dbraw/zinc/82/95/12/557829512.db2.gz ZYJKAIFSLASNEB-MMDVMMEASA-N -1 0 423.321 4.887 40 0 HJABRM CCCCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000011565913 558264082 /nfs/dbraw/zinc/26/40/82/558264082.db2.gz CDBXFVUNJDWZFB-UHFFFAOYSA-N -1 0 405.516 4.878 40 0 HJABRM COc1c(Cl)cc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2OC)cc1Cl ZINC000020142528 558339031 /nfs/dbraw/zinc/33/90/31/558339031.db2.gz GBYMTDSXYLUUCY-UHFFFAOYSA-N -1 0 404.633 4.615 40 0 HJABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000020144515 558339742 /nfs/dbraw/zinc/33/97/42/558339742.db2.gz QEQRVOKCHNQKFU-UHFFFAOYSA-N -1 0 418.660 4.680 40 0 HJABRM CCc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000058115763 558900018 /nfs/dbraw/zinc/90/00/18/558900018.db2.gz ZNCROQYXLYOXTJ-OAHLLOKOSA-N -1 0 414.552 4.602 40 0 HJABRM O=C([O-])c1cc(Br)c(-c2cc3ccccc3oc2=O)c(Br)c1 ZINC000226357472 559273612 /nfs/dbraw/zinc/27/36/12/559273612.db2.gz OXYPUALQTLATOA-UHFFFAOYSA-N -1 0 424.044 4.683 40 0 HJABRM O=C([O-])[C@@H]1CS[C@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N1 ZINC000408809090 560643724 /nfs/dbraw/zinc/64/37/24/560643724.db2.gz HUWDGEXYQUYVBT-FUHWJXTLSA-N -1 0 407.322 4.785 40 0 HJABRM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000102726000 560731605 /nfs/dbraw/zinc/73/16/05/560731605.db2.gz QGBCDYBRZMPPGI-RLLPEYFOSA-N -1 0 406.526 4.890 40 0 HJABRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000005897354 560738902 /nfs/dbraw/zinc/73/89/02/560738902.db2.gz MPDGAJNQJQSGJQ-UHFFFAOYSA-N -1 0 414.870 4.733 40 0 HJABRM Cc1cc(Cl)ccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000006234993 560740620 /nfs/dbraw/zinc/74/06/20/560740620.db2.gz CIWZTICKYQVPRD-UHFFFAOYSA-N -1 0 400.887 4.702 40 0 HJABRM Cc1n[nH]c(SC(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)[O-])n1 ZINC000006588340 560744926 /nfs/dbraw/zinc/74/49/26/560744926.db2.gz OTMXJCFKXOZDOV-YVLHZVERSA-N -1 0 401.875 4.563 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1 ZINC000010112099 560763895 /nfs/dbraw/zinc/76/38/95/560763895.db2.gz PIQPPZOHOCUINM-UHFFFAOYSA-N -1 0 414.914 4.726 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)c(C)c1 ZINC000014153889 560839278 /nfs/dbraw/zinc/83/92/78/560839278.db2.gz CSUPLSJWCWIYAV-UHFFFAOYSA-N -1 0 420.962 4.630 40 0 HJABRM Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl ZINC000020152309 560876027 /nfs/dbraw/zinc/87/60/27/560876027.db2.gz ILJNPTGSLYZCMP-UHFFFAOYSA-N -1 0 417.701 4.780 40 0 HJABRM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000004141006 560893141 /nfs/dbraw/zinc/89/31/41/560893141.db2.gz UIZUUVXQIBFHTF-RWRBZCLOSA-N -1 0 424.447 4.953 40 0 HJABRM CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2[C@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)[O-])s1 ZINC000004903591 568422567 /nfs/dbraw/zinc/42/25/67/568422567.db2.gz UURQRNAEFYOBCJ-JFTQMJAMSA-N -1 0 419.543 4.509 40 0 HJABRM CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000222937479 568531671 /nfs/dbraw/zinc/53/16/71/568531671.db2.gz MDSUZXFZYZXZGQ-SFTDATJTSA-N -1 0 421.522 4.668 40 0 HJABRM CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000222982994 568533122 /nfs/dbraw/zinc/53/31/22/568533122.db2.gz BIOWIDHXWLHJPV-LEWJYISDSA-N -1 0 421.522 4.812 40 0 HJABRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)ccc1C ZINC000223801507 568559503 /nfs/dbraw/zinc/55/95/03/568559503.db2.gz ZDURXCWLZIJHMO-UHFFFAOYSA-N -1 0 413.520 4.734 40 0 HJABRM O=S(=O)([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc(Cl)ccc1Cl ZINC000224537796 568584139 /nfs/dbraw/zinc/58/41/39/568584139.db2.gz XKSRVOPWVGNPAO-UHFFFAOYSA-N -1 0 420.730 4.966 40 0 HJABRM O=C([O-])c1ccc(CN(C(=O)c2ccc3nc(Cl)oc3c2)C2CCCCC2)o1 ZINC000225980806 568689919 /nfs/dbraw/zinc/68/99/19/568689919.db2.gz NIPUTKWXALCDKF-UHFFFAOYSA-N -1 0 402.834 4.748 40 0 HJABRM C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)S1 ZINC000260772287 568738521 /nfs/dbraw/zinc/73/85/21/568738521.db2.gz NGJCAHJBVGQSGX-CAYVGHNUSA-N -1 0 405.479 4.629 40 0 HJABRM Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2c1C(C)C ZINC000257202294 568776793 /nfs/dbraw/zinc/77/67/93/568776793.db2.gz ALELQKPPNPDEHZ-UHFFFAOYSA-N -1 0 424.444 4.737 40 0 HJABRM CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257296203 568803437 /nfs/dbraw/zinc/80/34/37/568803437.db2.gz RBRUHRIRMDOLNG-OAHLLOKOSA-N -1 0 422.934 4.783 40 0 HJABRM COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc54)OCC[C@]13C2 ZINC000257338602 568815633 /nfs/dbraw/zinc/81/56/33/568815633.db2.gz YYDWDQSJDBTBIZ-IVQNWTLBSA-N -1 0 423.553 4.581 40 0 HJABRM CC(=O)Oc1ccc(-c2coc3cc(OCCCCCC(=O)[O-])c(C)cc3c2=O)cc1 ZINC000263583560 568823978 /nfs/dbraw/zinc/82/39/78/568823978.db2.gz JWFPBYYTWGBSMW-UHFFFAOYSA-N -1 0 424.449 4.718 40 0 HJABRM COc1ccc2c(c1OC)C([O-])=C(C(=O)c1ccccc1)[C@H]2CC(=O)c1ccccc1 ZINC000101571482 568936464 /nfs/dbraw/zinc/93/64/64/568936464.db2.gz NVRNWOFZPFEZRX-SIKLNZKXSA-N -1 0 414.457 4.756 40 0 HJABRM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(F)cc1Cl ZINC000216830431 569025173 /nfs/dbraw/zinc/02/51/73/569025173.db2.gz ONOYXDMFDDSDRY-UHFFFAOYSA-N -1 0 403.631 4.918 40 0 HJABRM CCc1nnc(S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)[O-])o1 ZINC000007508632 569337697 /nfs/dbraw/zinc/33/76/97/569337697.db2.gz JSVUPFWYIQOZOL-BOPFTXTBSA-N -1 0 400.431 4.568 40 0 HJABRM C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1onc(-c2ccc(F)cc2)c1C(=O)[O-] ZINC000096297078 291278205 /nfs/dbraw/zinc/27/82/05/291278205.db2.gz SMICRKGMSDEAMG-SNVBAGLBSA-N -1 0 403.797 4.715 40 0 biogenic,in-vitro HJABRM C[C@@H]1CCc2c(sc3nc(-c4ccc(-c5cccc(C(=O)[O-])c5)o4)[nH]c(=O)c23)C1 ZINC000041076806 524725024 /nfs/dbraw/zinc/72/50/24/524725024.db2.gz FZWUSULSNNVZNY-LLVKDONJSA-N -1 0 406.463 4.735 40 0 HJABRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc(Cl)cc1 ZINC000003074255 557444970 /nfs/dbraw/zinc/44/49/70/557444970.db2.gz WTYRMWXMEOQUOS-UHFFFAOYSA-N -1 0 405.473 4.823 40 0 HJABRM COc1cccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@@H]32)c1OC ZINC000004458476 557556119 /nfs/dbraw/zinc/55/61/19/557556119.db2.gz REQDACGXRQSKGJ-XKCSPQBFSA-N -1 0 401.462 4.873 40 0 HJABRM CCc1nc(SC(=Cc2c3cccc(OC)c3[nH]c2-c2ccccc2)C(=O)[O-])n[nH]1 ZINC000408631375 557570103 /nfs/dbraw/zinc/57/01/03/557570103.db2.gz ICPKEHAESMSIRJ-ATVHPVEESA-N -1 0 420.494 4.742 40 0 HJABRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000408713274 557749470 /nfs/dbraw/zinc/74/94/70/557749470.db2.gz RDYGUTQXHKCAHR-UHFFFAOYSA-N -1 0 405.907 4.663 40 0 HJABRM CCc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010009732 557853684 /nfs/dbraw/zinc/85/36/84/557853684.db2.gz IFEVKPNIWJQOSI-UHFFFAOYSA-N -1 0 400.525 4.672 40 0 HJABRM COc1cc(C(=O)[O-])ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000013650712 558558111 /nfs/dbraw/zinc/55/81/11/558558111.db2.gz KFQBKNCZRCRBOU-UHFFFAOYSA-N -1 0 422.481 4.967 40 0 in-vitro HJABRM CCN(CC)c1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])o1 ZINC000038276171 558642278 /nfs/dbraw/zinc/64/22/78/558642278.db2.gz SRVUNQGYXLXRST-PTNGSMBKSA-N -1 0 418.906 4.782 40 0 HJABRM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc21 ZINC000015243797 558729721 /nfs/dbraw/zinc/72/97/21/558729721.db2.gz ZXHLIAVSGQFFMP-UHFFFAOYSA-N -1 0 422.506 4.579 40 0 HJABRM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000013757851 558865684 /nfs/dbraw/zinc/86/56/84/558865684.db2.gz ZWVOJGSNYJKDCJ-QQUTXWOLSA-N -1 0 406.526 4.890 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000071980517 558917392 /nfs/dbraw/zinc/91/73/92/558917392.db2.gz CFVRDQDYZYTGHB-WGAFOPHPSA-N -1 0 414.329 4.852 40 0 HJABRM O=C([O-])c1c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2oc1-c1ccccc1 ZINC000011615811 559114937 /nfs/dbraw/zinc/11/49/37/559114937.db2.gz MDUWITYDVIUDDV-UHFFFAOYSA-N -1 0 411.410 4.738 40 0 HJABRM O=C([O-])C[C@H](O)C[C@@H](O)/C=C\c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000011616584 559115020 /nfs/dbraw/zinc/11/50/20/559115020.db2.gz VGYFMXBACGZSIL-ZSBDSZQGSA-N -1 0 421.468 4.518 40 0 HJABRM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)C1 ZINC000004949772 559214834 /nfs/dbraw/zinc/21/48/34/559214834.db2.gz TUDXFVSBNYXLLX-UXHICEINSA-N -1 0 413.518 4.527 40 0 HJABRM CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3[O-])N(C)C2=S)cc1 ZINC000409029886 560668252 /nfs/dbraw/zinc/66/82/52/560668252.db2.gz CUOMBHGFOVEAAJ-SXGWCWSVSA-N -1 0 423.321 4.702 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409236473 560699131 /nfs/dbraw/zinc/69/91/31/560699131.db2.gz GVDCVRYWTNEKCZ-WOJGMQOQSA-N -1 0 422.824 4.704 40 0 HJABRM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000102725996 560731617 /nfs/dbraw/zinc/73/16/17/560731617.db2.gz QGBCDYBRZMPPGI-TWHAJKEOSA-N -1 0 406.526 4.890 40 0 HJABRM C[C@H](OC(C)(C)C)[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004240323 560735286 /nfs/dbraw/zinc/73/52/86/560735286.db2.gz UFJMOCVIPRJMLW-YCRPNKLZSA-N -1 0 411.498 4.572 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)c1 ZINC000014155580 560840157 /nfs/dbraw/zinc/84/01/57/560840157.db2.gz ZVDJVAGYSIMPRZ-UHFFFAOYSA-N -1 0 420.962 4.630 40 0 HJABRM CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000222982816 568533110 /nfs/dbraw/zinc/53/31/10/568533110.db2.gz PHFKAPISPWWXGB-NHCUHLMSSA-N -1 0 421.522 4.812 40 0 HJABRM O=C([O-])[C@H](Cc1ccc(I)cc1)Oc1ccc2ccccc2c1 ZINC000225069137 568612317 /nfs/dbraw/zinc/61/23/17/568612317.db2.gz WGDMMCWMRMWYGC-SFHVURJKSA-N -1 0 418.230 4.519 40 0 HJABRM O=C([O-])COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225528478 568647581 /nfs/dbraw/zinc/64/75/81/568647581.db2.gz FBQIEVDMDGBLEL-UHFFFAOYSA-N -1 0 408.281 4.907 40 0 HJABRM COc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cc1C(C)C ZINC000225680329 568663750 /nfs/dbraw/zinc/66/37/50/568663750.db2.gz LHRMHOKAQDWZJH-UHFFFAOYSA-N -1 0 423.947 4.791 40 0 HJABRM O=C([O-])c1ccc(CN(Cc2ccco2)C(=O)c2ccc3nc(Cl)sc3c2)o1 ZINC000225980558 568689750 /nfs/dbraw/zinc/68/97/50/568689750.db2.gz NVNCRJJCQXIVMC-UHFFFAOYSA-N -1 0 416.842 4.677 40 0 HJABRM CC1(C)[C@@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[C@@]1(C)C(=O)[O-] ZINC000006829056 568936963 /nfs/dbraw/zinc/93/69/63/568936963.db2.gz MHORALJDMGGTAR-QGHHPUGFSA-N -1 0 416.421 4.661 40 0 HJABRM Cc1c(C(=O)[O-])c2ccccc2n1C(=O)COc1c(C)cc(C)cc1Br ZINC000216825127 569024914 /nfs/dbraw/zinc/02/49/14/569024914.db2.gz CRLLACHARDOYCG-UHFFFAOYSA-N -1 0 416.271 4.746 40 0 HJABRM O=C([O-])/C=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000110418720 569027237 /nfs/dbraw/zinc/02/72/37/569027237.db2.gz UBECPRWYTXSEJD-XBXARRHUSA-N -1 0 412.077 4.888 40 0 HJABRM Cc1nnc(S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)[O-])o1 ZINC000211530247 569069995 /nfs/dbraw/zinc/06/99/95/569069995.db2.gz ZIFAWXLBUJMCAK-YVLHZVERSA-N -1 0 402.859 4.828 40 0 HJABRM O=C([O-])[C@H](CSC(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000001873081 569148997 /nfs/dbraw/zinc/14/89/97/569148997.db2.gz DETYTTPLYPPXAB-NRFANRHFSA-N -1 0 421.518 4.889 40 0 HJABRM Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)c(C)c1 ZINC000016777487 569262738 /nfs/dbraw/zinc/26/27/38/569262738.db2.gz RJWPDFGTCSYKRC-UHFFFAOYSA-N -1 0 422.554 4.889 40 0 HJABRM C#CCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000007342953 569337118 /nfs/dbraw/zinc/33/71/18/569337118.db2.gz SHHKZXTTZAQUTB-STZFKDTASA-N -1 0 400.459 4.946 40 0 HJABRM CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1Cl ZINC000032118869 520903264 /nfs/dbraw/zinc/90/32/64/520903264.db2.gz SPSUQGSURBMBNO-UHFFFAOYSA-N -1 0 419.717 4.878 40 0 HJABRM COc1c(Br)cc(CNc2cccc(C(=O)[O-])c2)cc1Br ZINC000035018462 557259364 /nfs/dbraw/zinc/25/93/64/557259364.db2.gz OVXVAYVRDVSFEQ-UHFFFAOYSA-N -1 0 415.081 4.531 40 0 HJABRM CC(C)Oc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000408607459 557519274 /nfs/dbraw/zinc/51/92/74/557519274.db2.gz MKOKBDONTCWUCZ-UHFFFAOYSA-N -1 0 410.495 4.527 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000006214487 557694455 /nfs/dbraw/zinc/69/44/55/557694455.db2.gz WRIONJCJSPINNC-HXUWFJFHSA-N -1 0 415.898 4.853 40 0 HJABRM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1Cl ZINC000408713062 557745175 /nfs/dbraw/zinc/74/51/75/557745175.db2.gz ITGWJXBILMHLQK-UHFFFAOYSA-N -1 0 412.298 4.583 40 0 HJABRM CC(C)Oc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000010009746 557853696 /nfs/dbraw/zinc/85/36/96/557853696.db2.gz MNNMXWIBZBIEQA-UHFFFAOYSA-N -1 0 416.524 4.588 40 0 HJABRM CCn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1ccc(Br)cc1 ZINC000019927675 558308328 /nfs/dbraw/zinc/30/83/28/558308328.db2.gz DUYQYCUELGSXOT-UHFFFAOYSA-N -1 0 418.316 4.718 40 0 HJABRM CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000027830429 558683901 /nfs/dbraw/zinc/68/39/01/558683901.db2.gz VCUSRIBEBYUVQW-YVLHZVERSA-N -1 0 417.870 4.673 40 0 HJABRM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013752260 558864305 /nfs/dbraw/zinc/86/43/05/558864305.db2.gz NJBXYNKCLWDUAR-HWHRFOGPSA-N -1 0 406.526 4.890 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(C(F)(F)F)c1 ZINC000071980485 558917184 /nfs/dbraw/zinc/91/71/84/558917184.db2.gz MCVUZFXJKQJAKZ-CZDRUDQFSA-N -1 0 413.436 4.564 40 0 HJABRM CCCOc1ccccc1-c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)c(CC)c1 ZINC000585265715 559112601 /nfs/dbraw/zinc/11/26/01/559112601.db2.gz QHXHCJJMNVFZLD-UHFFFAOYSA-N -1 0 423.534 4.824 40 0 HJABRM O=c1c([C@@H](O)c2ccc(Cl)cc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100355027 559134342 /nfs/dbraw/zinc/13/43/42/559134342.db2.gz QWZJUFPQEBQGRT-KBPBESRZSA-N -1 0 403.187 4.608 40 0 HJABRM CC1=C(C)C[C@H](C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000004949780 559214817 /nfs/dbraw/zinc/21/48/17/559214817.db2.gz TUDXFVSBNYXLLX-VQTJNVASSA-N -1 0 413.518 4.527 40 0 HJABRM O=C([O-])/C=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000226333777 559273298 /nfs/dbraw/zinc/27/32/98/559273298.db2.gz QGIRFCHKYXFPKL-XBXARRHUSA-N -1 0 414.626 4.621 40 0 HJABRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000226855687 559274133 /nfs/dbraw/zinc/27/41/33/559274133.db2.gz XVHFHOQHFJKYAW-UHFFFAOYSA-N -1 0 408.690 4.560 40 0 HJABRM Cc1ccc(-n2c(COc3cccc4ccccc43)nnc2S[C@@H](C)C(=O)[O-])cc1 ZINC000004126871 560598947 /nfs/dbraw/zinc/59/89/47/560598947.db2.gz KCIBNGRAWKKBRV-INIZCTEOSA-N -1 0 419.506 4.873 40 0 HJABRM CC(C)Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1sc2ccccc2c1Cl ZINC000004891143 560615447 /nfs/dbraw/zinc/61/54/47/560615447.db2.gz WJHSNMFKBYQRQK-UHFFFAOYSA-N -1 0 411.914 4.847 40 0 HJABRM O=C([O-])CN1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000409140899 560683374 /nfs/dbraw/zinc/68/33/74/560683374.db2.gz GSZGZASWBZDCQF-UDWIEESQSA-N -1 0 419.458 4.540 40 0 HJABRM O=C([O-])c1nc(-c2ccc(Br)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000008730867 560734557 /nfs/dbraw/zinc/73/45/57/560734557.db2.gz ZSAXFXVDAFYBSV-UHFFFAOYSA-N -1 0 413.058 4.702 40 0 HJABRM CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000006706726 560745452 /nfs/dbraw/zinc/74/54/52/560745452.db2.gz ONIMMOAWDSDQHF-OAHLLOKOSA-N -1 0 408.951 4.676 40 0 HJABRM CC(C)COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000017089485 560864378 /nfs/dbraw/zinc/86/43/78/560864378.db2.gz NOEAOLUWYIWBQM-UHFFFAOYSA-N -1 0 413.326 4.861 40 0 HJABRM CCc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Br)c2)cc1CC ZINC000005556991 568447089 /nfs/dbraw/zinc/44/70/89/568447089.db2.gz HPCUKENXULVLKS-IBGZPJMESA-N -1 0 418.331 4.828 40 0 HJABRM CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000222937918 568531785 /nfs/dbraw/zinc/53/17/85/568531785.db2.gz UZVXWXOTODHQBW-NHCUHLMSSA-N -1 0 421.522 4.668 40 0 HJABRM CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000222982699 568533143 /nfs/dbraw/zinc/53/31/43/568533143.db2.gz PHFKAPISPWWXGB-RTWAWAEBSA-N -1 0 421.522 4.812 40 0 HJABRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c(Cl)c1Cl ZINC000223853141 568560903 /nfs/dbraw/zinc/56/09/03/568560903.db2.gz ATWAFYBEGLGNHU-UHFFFAOYSA-N -1 0 423.321 4.789 40 0 HJABRM COc1cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c(OC)cc1Cl ZINC000223888698 568562034 /nfs/dbraw/zinc/56/20/34/568562034.db2.gz VAVAEPUYOVXIAD-UHFFFAOYSA-N -1 0 413.923 4.598 40 0 HJABRM CO[C@H](CC(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000247828279 568745919 /nfs/dbraw/zinc/74/59/19/568745919.db2.gz GMPADTRVEDDXQU-MRXNPFEDSA-N -1 0 417.672 4.633 40 0 HJABRM O=C([O-])COc1ccc(CN2CCCC[C@@H]2c2ncc(Cc3ccccc3F)o2)cc1 ZINC000257204201 568777361 /nfs/dbraw/zinc/77/73/61/568777361.db2.gz ATMYQKROCYTGDL-JOCHJYFZSA-N -1 0 424.472 4.595 40 0 HJABRM COc1ccccc1-c1cccc(C(=O)N(CCc2ccc(Cl)cc2)CC(=O)[O-])c1 ZINC000257322134 568811102 /nfs/dbraw/zinc/81/11/02/568811102.db2.gz WESAPMJGNJBGLY-UHFFFAOYSA-N -1 0 423.896 4.785 40 0 HJABRM O=C([O-])/C=C/c1ccc(OCc2cccc(Br)c2)c(Br)c1 ZINC000110418723 569027246 /nfs/dbraw/zinc/02/72/46/569027246.db2.gz XLKFODHUGNZBFB-FNORWQNLSA-N -1 0 412.077 4.888 40 0 HJABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000010112098 569342873 /nfs/dbraw/zinc/34/28/73/569342873.db2.gz JXAJHUDCPXALCZ-UHFFFAOYSA-N -1 0 414.914 4.726 40 0 HJABRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 ZINC000033768074 569351356 /nfs/dbraw/zinc/35/13/56/569351356.db2.gz PTNIVBGHSWFDRI-XDHOZWIPSA-N -1 0 420.396 4.500 40 0 HJABRM O=C([O-])/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1nc2ccccc2[nH]1 ZINC000051125235 569352226 /nfs/dbraw/zinc/35/22/26/569352226.db2.gz YQRGMWGRPVHREA-WQRHYEAKSA-N -1 0 407.407 4.949 40 0 HJABRM Cc1nn(COc2cccc(F)c2)c(C)c1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000032501713 526284121 /nfs/dbraw/zinc/28/41/21/526284121.db2.gz METQUNPJUSYMLJ-UHFFFAOYSA-N -1 0 417.506 4.600 40 0 HJABRM O=C([O-])c1ccc(CN(Cc2ccco2)C(=O)c2ccc3sc(Cl)nc3c2)o1 ZINC000225980541 526365156 /nfs/dbraw/zinc/36/51/56/526365156.db2.gz MSYNJFKBIJWRMA-UHFFFAOYSA-N -1 0 416.842 4.677 40 0 HJABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1Cl ZINC000408545278 557363924 /nfs/dbraw/zinc/36/39/24/557363924.db2.gz JVXZKZFZXNLEGF-UHFFFAOYSA-N -1 0 420.962 4.902 40 0 HJABRM COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(OC)c1 ZINC000408631624 557570158 /nfs/dbraw/zinc/57/01/58/557570158.db2.gz ACVGWNGUDNUIMY-SXGWCWSVSA-N -1 0 418.858 4.625 40 0 HJABRM COc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1 ZINC000408633599 557587890 /nfs/dbraw/zinc/58/78/90/557587890.db2.gz OCJUHZBWOGBKRH-SXGWCWSVSA-N -1 0 418.858 4.625 40 0 HJABRM Cc1ccc2c(C)nc([N-]c3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc2c1 ZINC000010157483 557856607 /nfs/dbraw/zinc/85/66/07/557856607.db2.gz QSVKRWOUPVPFBY-AWEZNQCLSA-N -1 0 401.495 4.754 40 0 HJABRM CCc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccccc1OC ZINC000013611896 558548823 /nfs/dbraw/zinc/54/88/23/558548823.db2.gz MMFGGIIHEZGLJY-UHFFFAOYSA-N -1 0 405.523 4.861 40 0 HJABRM CC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000030848722 558739620 /nfs/dbraw/zinc/73/96/20/558739620.db2.gz JPZFPVPQHFVVTI-OAQYLSRUSA-N -1 0 408.523 4.677 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000071980471 558917225 /nfs/dbraw/zinc/91/72/25/558917225.db2.gz CQUYXUUYOXCIRX-WGAFOPHPSA-N -1 0 414.329 4.852 40 0 HJABRM CCc1ccc(C[C@@]2(C)Cc3cc(C(=O)N(CCC(C)C)CC(=O)[O-])ccc3O2)cc1 ZINC000585267515 559112934 /nfs/dbraw/zinc/11/29/34/559112934.db2.gz OYUTVDOJGSDDQH-SANMLTNESA-N -1 0 423.553 4.758 40 0 HJABRM CCc1ccc(C[C@]2(C)Cc3cc(C(=O)N(CCC(=O)[O-])CC(C)C)ccc3O2)cc1 ZINC000585268038 559113025 /nfs/dbraw/zinc/11/30/25/559113025.db2.gz UUZMVPXQBGATDY-AREMUKBSSA-N -1 0 423.553 4.758 40 0 HJABRM C[C@H]1[C@@H](CCC(=O)[O-])O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118936258 559206549 /nfs/dbraw/zinc/20/65/49/559206549.db2.gz WEBIGGMMPNOWDP-SRRVNOOBSA-N -1 0 404.591 4.884 40 0 HJABRM O=C([O-])c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000226327120 559273269 /nfs/dbraw/zinc/27/32/69/559273269.db2.gz QUWBQJCBSPAZRW-UHFFFAOYSA-N -1 0 423.033 4.875 40 0 HJABRM CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OC)cc1-c1cccc(OC)c1OC ZINC000257204493 559282457 /nfs/dbraw/zinc/28/24/57/559282457.db2.gz AUXAFRKUGLQSLK-UHFFFAOYSA-N -1 0 424.497 4.670 40 0 HJABRM O=C([O-])CN(CCCc1ccccc1)C(=O)c1cccc(OCc2cccc(F)c2)c1 ZINC000257233746 559283897 /nfs/dbraw/zinc/28/38/97/559283897.db2.gz GQOCUXCKMSOZJM-UHFFFAOYSA-N -1 0 421.468 4.564 40 0 HJABRM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCc3ccccc3)c2)cc1 ZINC000147424291 560556341 /nfs/dbraw/zinc/55/63/41/560556341.db2.gz MKQZIABZFSFKJR-IBGZPJMESA-N -1 0 422.550 4.547 40 0 HJABRM CCCCc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])sc2C)cc1 ZINC000006593019 560631858 /nfs/dbraw/zinc/63/18/58/560631858.db2.gz VEUVAJJBHUDSHS-HCXYKTFWSA-N -1 0 410.539 4.923 40 0 HJABRM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)o1 ZINC000408802138 560642494 /nfs/dbraw/zinc/64/24/94/560642494.db2.gz DLLNJEOFCYLREA-UHFFFAOYSA-N -1 0 409.418 4.547 40 0 HJABRM COc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])cc1OC ZINC000408890566 560650247 /nfs/dbraw/zinc/65/02/47/560650247.db2.gz VSSIGCSTMGTALU-UHFFFAOYSA-N -1 0 404.875 4.851 40 0 HJABRM COc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)c1OC ZINC000408994793 560663284 /nfs/dbraw/zinc/66/32/84/560663284.db2.gz JFDPWODHHIQJQK-PMOQBDJRSA-N -1 0 401.462 4.873 40 0 HJABRM O=C([O-])CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000409023185 560667109 /nfs/dbraw/zinc/66/71/09/560667109.db2.gz UHNCKXKLFIJMKC-GHXNOFRVSA-N -1 0 411.913 4.674 40 0 HJABRM CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cc1Cl ZINC000017091986 560866527 /nfs/dbraw/zinc/86/65/27/560866527.db2.gz NUVIQXYBRPIBKZ-UHFFFAOYSA-N -1 0 419.717 4.878 40 0 HJABRM Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3s2)c1 ZINC000020157807 560881706 /nfs/dbraw/zinc/88/17/06/560881706.db2.gz LPSZRZYSGJMFBI-UHFFFAOYSA-N -1 0 418.474 4.987 40 0 HJABRM C[C@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000217477857 568472228 /nfs/dbraw/zinc/47/22/28/568472228.db2.gz VKIXHDNJTZEGLQ-IRXDYDNUSA-N -1 0 424.522 4.597 40 0 HJABRM C[C@@H](NS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)[O-])c1)c1ccccc1 ZINC000217610636 568473109 /nfs/dbraw/zinc/47/31/09/568473109.db2.gz IKXVPCRAVNLGBP-DLBZAZTESA-N -1 0 424.522 4.597 40 0 HJABRM O=C(NCc1ccc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000222786090 568526486 /nfs/dbraw/zinc/52/64/86/568526486.db2.gz GWXLBDOFWGOLAS-UHFFFAOYSA-N -1 0 422.531 4.632 40 0 HJABRM CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000222983061 568533113 /nfs/dbraw/zinc/53/31/13/568533113.db2.gz BIOWIDHXWLHJPV-NHCUHLMSSA-N -1 0 421.522 4.812 40 0 HJABRM CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)cc2oc1=O ZINC000223358295 568546359 /nfs/dbraw/zinc/54/63/59/568546359.db2.gz SBQQTIUZJJTDCX-UHFFFAOYSA-N -1 0 424.478 4.516 40 0 HJABRM CCc1nc2ccc(NC(=S)N[C@@H](CC(=O)[O-])c3ccc(F)cc3)cc2s1 ZINC000225229510 568624718 /nfs/dbraw/zinc/62/47/18/568624718.db2.gz HFVVTVGJASSTPK-HNNXBMFYSA-N -1 0 403.504 4.500 40 0 HJABRM O=C([O-])c1ccc(CN(C(=O)c2ccc3oc(Cl)nc3c2)C2CCCCC2)o1 ZINC000225980783 568689786 /nfs/dbraw/zinc/68/97/86/568689786.db2.gz NTPMABKBSPRQIF-UHFFFAOYSA-N -1 0 402.834 4.748 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 ZINC000260752912 568737505 /nfs/dbraw/zinc/73/75/05/568737505.db2.gz AINGBCIQLFNDAV-PUCZYUMASA-N -1 0 419.506 4.938 40 0 HJABRM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccc(C(=O)[O-])c3)N21 ZINC000260762670 568737894 /nfs/dbraw/zinc/73/78/94/568737894.db2.gz HAXKPWABYPLQIA-HBGVWJBISA-N -1 0 418.522 4.550 40 0 HJABRM CCCCC(=O)N1CCC[C@H]1c1nc(CCCc2ccccc2)c(C(=O)[O-])s1 ZINC000257250907 568790534 /nfs/dbraw/zinc/79/05/34/568790534.db2.gz JONIRFDZHYENMV-SFHVURJKSA-N -1 0 400.544 4.870 40 0 HJABRM COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc54)OCC[C@@]31C2 ZINC000257338603 568815580 /nfs/dbraw/zinc/81/55/80/568815580.db2.gz YYDWDQSJDBTBIZ-LJVAGBETSA-N -1 0 423.553 4.581 40 0 HJABRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226861090 568824711 /nfs/dbraw/zinc/82/47/11/568824711.db2.gz AITMIYACUGERBS-UHFFFAOYSA-N -1 0 409.507 4.632 40 0 HJABRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1 ZINC000226860806 568824818 /nfs/dbraw/zinc/82/48/18/568824818.db2.gz HDFAQMZSWCNMDK-UHFFFAOYSA-N -1 0 402.811 4.705 40 0 HJABRM O=C(CSC(=S)[N-]CCOc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000002765426 568932028 /nfs/dbraw/zinc/93/20/28/568932028.db2.gz DXSNXAZUEPLXFS-UHFFFAOYSA-N -1 0 415.367 4.619 40 0 HJABRM Cc1ccc(OCc2nnc([N-]C(=O)c3ncoc3-c3ccc(C)cc3)s2)cc1 ZINC000005002001 569051810 /nfs/dbraw/zinc/05/18/10/569051810.db2.gz PMWQIALJHOFIQN-UHFFFAOYSA-N -1 0 406.467 4.641 40 0 HJABRM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccccc1Br ZINC000199753107 569284377 /nfs/dbraw/zinc/28/43/77/569284377.db2.gz RTKSHBVEHQBJAU-UHFFFAOYSA-N -1 0 414.630 4.922 40 0 HJABRM COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1 ZINC000006320117 569330592 /nfs/dbraw/zinc/33/05/92/569330592.db2.gz NYZMMLAQMULXAP-UHFFFAOYSA-N -1 0 400.272 4.933 40 0 HJABRM Cc1nnc(SC(=Cc2ccccc2OCc2ccccc2Cl)C(=O)[O-])[nH]1 ZINC000006588345 569333706 /nfs/dbraw/zinc/33/37/06/569333706.db2.gz NHKYHONCQNDENT-YVLHZVERSA-N -1 0 401.875 4.563 40 0 HJABRM CCCc1nc(SC(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000007342342 569337056 /nfs/dbraw/zinc/33/70/56/569337056.db2.gz SQBFPBIDNDVXFL-MOSHPQCFSA-N -1 0 418.522 4.978 40 0 HJABRM N#CCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000007342955 569337085 /nfs/dbraw/zinc/33/70/85/569337085.db2.gz DAZQGPJFDUKONA-MOSHPQCFSA-N -1 0 401.447 4.836 40 0 HJABRM CCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)[O-])n[nH]1 ZINC000007342557 569337135 /nfs/dbraw/zinc/33/71/35/569337135.db2.gz YMAPASAFMIYUTI-BOPFTXTBSA-N -1 0 415.902 4.817 40 0 HJABRM O=C([O-])/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2o1 ZINC000007365518 569337439 /nfs/dbraw/zinc/33/74/39/569337439.db2.gz XVSYAOUPRVPGID-PDGQHHTCSA-N -1 0 407.407 4.745 40 0 HJABRM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018142917 569383704 /nfs/dbraw/zinc/38/37/04/569383704.db2.gz AFZQLWRVIQBPGG-FSSWDIPSSA-N -1 0 418.880 4.700 40 0 HJABRM CC(C)(C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329071970 571304966 /nfs/dbraw/zinc/30/49/66/571304966.db2.gz ZUEPAJHHBQRUCF-UHFFFAOYSA-N -1 0 404.301 5.505 40 0 HJABRM C/C(=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)[C@@H](O)C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013432980 291271381 /nfs/dbraw/zinc/27/13/81/291271381.db2.gz XFTFIFNAWKMLKL-YAKMJAOHSA-N -1 0 422.949 4.753 40 0 biogenic,in-vitro HJABRM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1Br ZINC000032118585 527459117 /nfs/dbraw/zinc/45/91/17/527459117.db2.gz KXKUKRWLUKUCIO-UHFFFAOYSA-N -1 0 420.115 4.588 40 0 HJABRM O=C([O-])/C=C/c1c(-c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC000002599616 557359514 /nfs/dbraw/zinc/35/95/14/557359514.db2.gz SPGBZFPFNIPVPZ-SOFGYWHQSA-N -1 0 422.076 4.624 40 0 HJABRM CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000408546923 557369980 /nfs/dbraw/zinc/36/99/80/557369980.db2.gz WYRJCCYOOHIWDY-HNNXBMFYSA-N -1 0 408.951 4.676 40 0 HJABRM CCc1nc(SC(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)[O-])n[nH]1 ZINC000408630516 557568700 /nfs/dbraw/zinc/56/87/00/557568700.db2.gz AWOUNXXOWVNOLX-ZROIWOOFSA-N -1 0 420.288 4.607 40 0 HJABRM Cc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000006034042 557684702 /nfs/dbraw/zinc/68/47/02/557684702.db2.gz GLEHQHJDURSEEE-UHFFFAOYSA-N -1 0 408.841 4.851 40 0 HJABRM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccc(C)cc1 ZINC000009859132 557850398 /nfs/dbraw/zinc/85/03/98/557850398.db2.gz HDWCYNYISGNRES-IBGZPJMESA-N -1 0 414.552 4.738 40 0 HJABRM Cc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010009706 557853732 /nfs/dbraw/zinc/85/37/32/557853732.db2.gz MEHHCYXMBFKHEM-UHFFFAOYSA-N -1 0 406.916 4.763 40 0 HJABRM Cc1cccc2c(C)nc([N-]c3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc12 ZINC000010157487 557856678 /nfs/dbraw/zinc/85/66/78/557856678.db2.gz DVJFFUOQSKFDSZ-AWEZNQCLSA-N -1 0 401.495 4.754 40 0 HJABRM Cc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc(C(=O)[O-])c1O ZINC000020139831 558338445 /nfs/dbraw/zinc/33/84/45/558338445.db2.gz LIMDWMDQZVHIJN-UHFFFAOYSA-N -1 0 416.227 4.674 40 0 HJABRM Cc1c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cccc1C(=O)[O-] ZINC000020139817 558338450 /nfs/dbraw/zinc/33/84/50/558338450.db2.gz BGOORKMAPODTLW-UHFFFAOYSA-N -1 0 400.228 4.968 40 0 HJABRM CCSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000022509340 558492699 /nfs/dbraw/zinc/49/26/99/558492699.db2.gz GZTQKHFJTSSDFT-UHFFFAOYSA-N -1 0 418.565 4.913 40 0 HJABRM O=C([O-])c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1Cc1cccc(F)c1 ZINC000585266923 559112811 /nfs/dbraw/zinc/11/28/11/559112811.db2.gz WQILUKHQWAQPFW-FQEVSTJZSA-N -1 0 411.864 4.900 40 0 HJABRM C[C@@H]1[C@@H](CCC(=O)[O-])O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118936257 559206536 /nfs/dbraw/zinc/20/65/36/559206536.db2.gz WEBIGGMMPNOWDP-KQUXVHTRSA-N -1 0 404.591 4.884 40 0 HJABRM C[C@@H](Sc1nnc(COc2cccc3ccccc32)n1-c1ccccc1)C(=O)[O-] ZINC000005015003 559228346 /nfs/dbraw/zinc/22/83/46/559228346.db2.gz HFLDQTSTAMSRBW-OAHLLOKOSA-N -1 0 405.479 4.565 40 0 HJABRM COc1ccc(Br)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000007342877 559249249 /nfs/dbraw/zinc/24/92/49/559249249.db2.gz UTQXXSXUUIXSIX-DHDCSXOGSA-N -1 0 405.273 4.552 40 0 HJABRM Cc1cc([O-])c(C2=NN(c3ccccc3)[C@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 ZINC000225392105 559272009 /nfs/dbraw/zinc/27/20/09/559272009.db2.gz TZRVLOGCRWLUIL-SFHVURJKSA-N -1 0 412.392 4.611 40 0 HJABRM Cc1cc(C)c([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)c(C)c1 ZINC000006681702 560632294 /nfs/dbraw/zinc/63/22/94/560632294.db2.gz DVKOGMIFMSMZJV-UHFFFAOYSA-N -1 0 400.525 4.726 40 0 HJABRM CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)S2)cc1 ZINC000408782228 560641119 /nfs/dbraw/zinc/64/11/19/560641119.db2.gz GGJMGWPAMXPYPL-JPFXZVHCSA-N -1 0 420.490 4.807 40 0 HJABRM Cc1nnc(SC(=Cc2c(C)n(Cc3ccc(F)cc3)c3ccccc23)C(=O)[O-])[nH]1 ZINC000409189870 560691115 /nfs/dbraw/zinc/69/11/15/560691115.db2.gz JQSARTZYXQRSNA-JAIQZWGSSA-N -1 0 422.485 4.781 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)c1 ZINC000409383760 560717644 /nfs/dbraw/zinc/71/76/44/560717644.db2.gz FHGWSQRRRAJUNL-UHFFFAOYSA-N -1 0 406.935 4.512 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)cc1C ZINC000409410001 560721243 /nfs/dbraw/zinc/72/12/43/560721243.db2.gz KLQLOCFHULAFFF-UHFFFAOYSA-N -1 0 420.962 4.774 40 0 HJABRM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000006252823 560740654 /nfs/dbraw/zinc/74/06/54/560740654.db2.gz XREDVAMODSZKBI-UHFFFAOYSA-N -1 0 409.250 4.565 40 0 HJABRM O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000015746641 560856073 /nfs/dbraw/zinc/85/60/73/560856073.db2.gz SFVLIEZTBJKXKQ-XNYCMSQESA-N -1 0 411.310 4.802 40 0 HJABRM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000016575732 560860978 /nfs/dbraw/zinc/86/09/78/560860978.db2.gz NONPWRWFENOQFC-BJMVGYQFSA-N -1 0 402.903 4.688 40 0 HJABRM CC(C)COc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000017089482 560864363 /nfs/dbraw/zinc/86/43/63/560864363.db2.gz XZIQBVAKSXPEEH-UHFFFAOYSA-N -1 0 413.326 4.861 40 0 HJABRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000020157893 560881708 /nfs/dbraw/zinc/88/17/08/560881708.db2.gz YABLKCDSEFOXTQ-UHFFFAOYSA-N -1 0 402.406 4.519 40 0 HJABRM CC(C)N(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C ZINC000222552924 568518052 /nfs/dbraw/zinc/51/80/52/568518052.db2.gz YPQQTMUAZBLSCO-UHFFFAOYSA-N -1 0 403.866 4.613 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222633293 568521661 /nfs/dbraw/zinc/52/16/61/568521661.db2.gz AINGBCIQLFNDAV-DLPLYFIVSA-N -1 0 419.506 4.938 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2Cl)cc1 ZINC000223960311 568564502 /nfs/dbraw/zinc/56/45/02/568564502.db2.gz ZYYFEXZSRPCHRR-UHFFFAOYSA-N -1 0 418.946 4.679 40 0 HJABRM Cc1ccc(-c2nnc([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000225246597 568625690 /nfs/dbraw/zinc/62/56/90/568625690.db2.gz ZKMWZKQSZGBYDE-UHFFFAOYSA-N -1 0 414.339 4.762 40 0 HJABRM O=C([O-])c1ccc(CN(C(=O)c2ccc3sc(Cl)nc3c2)C2CCCC2)o1 ZINC000225980643 568689740 /nfs/dbraw/zinc/68/97/40/568689740.db2.gz FEMXZKAVZVGRAN-UHFFFAOYSA-N -1 0 404.875 4.826 40 0 HJABRM COc1cc2[n-]c(=S)n(CCSc3ccc(Cl)cc3)c(=O)c2cc1OC ZINC000239073195 568727896 /nfs/dbraw/zinc/72/78/96/568727896.db2.gz GSHNYCTVWXKGRM-UHFFFAOYSA-N -1 0 408.932 4.934 40 0 HJABRM CCCCC(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])c(COc2ccc(Cl)cc2)n1 ZINC000257274949 568796991 /nfs/dbraw/zinc/79/69/91/568796991.db2.gz NNIDUQWUFKSZPN-HXUWFJFHSA-N -1 0 416.905 4.866 40 0 HJABRM CC(C)c1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])cc1 ZINC000005977302 568936094 /nfs/dbraw/zinc/93/60/94/568936094.db2.gz DHFUQUAHAIIDJD-UHFFFAOYSA-N -1 0 411.310 4.942 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)c1 ZINC000006023995 569329299 /nfs/dbraw/zinc/32/92/99/569329299.db2.gz HOWDSILPXZBKEP-UHFFFAOYSA-N -1 0 420.962 4.820 40 0 HJABRM Cc1n[nH]c(SC(=Cc2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)[O-])n1 ZINC000006328810 569331203 /nfs/dbraw/zinc/33/12/03/569331203.db2.gz YLZNFGBXWRPYCC-NDENLUEZSA-N -1 0 404.495 4.642 40 0 HJABRM COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])ccc1C ZINC000007603300 569337846 /nfs/dbraw/zinc/33/78/46/569337846.db2.gz SNRBNNIMBMMVTI-YBEGLDIGSA-N -1 0 401.875 4.660 40 0 HJABRM Cc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)[O-])o1 ZINC000007603527 569337854 /nfs/dbraw/zinc/33/78/54/569337854.db2.gz YJIJMXMELVEMNG-YVLHZVERSA-N -1 0 402.859 4.828 40 0 HJABRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)cc2)cc1 ZINC000008477510 569341586 /nfs/dbraw/zinc/34/15/86/569341586.db2.gz ZPIPOSIEPUQCNW-XSFVSMFZSA-N -1 0 406.507 4.551 40 0 HJABRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1OCc1ccccc1F ZINC000034880096 569351568 /nfs/dbraw/zinc/35/15/68/569351568.db2.gz XWLRHUQIJVGKMO-LDADJPATSA-N -1 0 420.396 4.500 40 0 HJABRM CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(C(=O)[O-])o3)c2)cc1 ZINC000226355468 519835025 /nfs/dbraw/zinc/83/50/25/519835025.db2.gz PXOBXSSZRBLXNL-UHFFFAOYSA-N -1 0 408.479 4.895 40 0 HJABRM CCOCc1cc(Cc2cc(COCC)c3cccnc3c2O)c([O-])c2ncccc12 ZINC000001717599 557282435 /nfs/dbraw/zinc/28/24/35/557282435.db2.gz UITRSGMVYWUSJG-UHFFFAOYSA-N -1 0 418.493 4.858 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)c(C)c1 ZINC000408549331 557395804 /nfs/dbraw/zinc/39/58/04/557395804.db2.gz XNLYORZFNPUIMF-UHFFFAOYSA-N -1 0 408.951 4.534 40 0 HJABRM COC(=O)c1cccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)[O-])o2)c1 ZINC000408631741 557570093 /nfs/dbraw/zinc/57/00/93/557570093.db2.gz BLEVVUVZUUBPIT-UNOMPAQXSA-N -1 0 420.446 4.827 40 0 HJABRM COC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)[O-])o2)cc1 ZINC000408635012 557598170 /nfs/dbraw/zinc/59/81/70/557598170.db2.gz WMBSYCNZWRFLHQ-UNOMPAQXSA-N -1 0 420.446 4.827 40 0 HJABRM CCOC(=O)C1=C([O-])c2c(-c3ccccc3)csc2N(C(=O)c2ccccc2)CC1 ZINC000005065022 557633489 /nfs/dbraw/zinc/63/34/89/557633489.db2.gz VGKQZTCHEWERLO-GOSISDBHSA-N -1 0 419.502 4.828 40 0 HJABRM CCCCCCC(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])c1ccccc1Cl ZINC000005618940 557665547 /nfs/dbraw/zinc/66/55/47/557665547.db2.gz QSKPZKQBDISPJO-RTBURBONSA-N -1 0 413.967 4.633 40 0 HJABRM Cc1ccc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020044677 558326937 /nfs/dbraw/zinc/32/69/37/558326937.db2.gz QYWGGAVFKRWIGT-SFHVURJKSA-N -1 0 408.523 4.595 40 0 HJABRM Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000015693575 558749259 /nfs/dbraw/zinc/74/92/59/558749259.db2.gz IMYQSEPBUPDWSQ-MRXNPFEDSA-N -1 0 414.552 4.657 40 0 HJABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000017081878 558813794 /nfs/dbraw/zinc/81/37/94/558813794.db2.gz IVSADFKIURGWBT-MJSCVDMRSA-N -1 0 400.475 4.581 40 0 HJABRM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013752264 558864218 /nfs/dbraw/zinc/86/42/18/558864218.db2.gz NJBXYNKCLWDUAR-QQUTXWOLSA-N -1 0 406.526 4.890 40 0 HJABRM Cc1cccc(OC(C)(C)C(=O)N2CCC[C@H]2c2cccc([N-]c3nncs3)n2)c1 ZINC000072375612 558964256 /nfs/dbraw/zinc/96/42/56/558964256.db2.gz XDCSJRWXERDESR-SFHVURJKSA-N -1 0 423.542 4.506 40 0 HJABRM COc1ccc(Cl)c(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000585091757 559022836 /nfs/dbraw/zinc/02/28/36/559022836.db2.gz JKSUCDNUXAISIW-UHFFFAOYSA-N -1 0 409.869 4.889 40 0 HJABRM C[C@H](Sc1nnc(COc2cccc3ccccc32)n1-c1ccccc1)C(=O)[O-] ZINC000005015002 560623649 /nfs/dbraw/zinc/62/36/49/560623649.db2.gz HFLDQTSTAMSRBW-HNNXBMFYSA-N -1 0 405.479 4.565 40 0 HJABRM CCCCCCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000005978100 560739148 /nfs/dbraw/zinc/73/91/48/560739148.db2.gz UIIWUPOVFQMSGE-UHFFFAOYSA-N -1 0 414.527 4.779 40 0 HJABRM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3O)nc2c1 ZINC000017093626 560868124 /nfs/dbraw/zinc/86/81/24/560868124.db2.gz RDBHUBHQVPGUEM-UHFFFAOYSA-N -1 0 423.519 4.951 40 0 HJABRM Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3o2)c1 ZINC000020157921 560881675 /nfs/dbraw/zinc/88/16/75/560881675.db2.gz SVBHZHYYTMZOMW-UHFFFAOYSA-N -1 0 402.406 4.519 40 0 HJABRM O=C([O-])c1ccccc1-c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000020508326 568441719 /nfs/dbraw/zinc/44/17/19/568441719.db2.gz YFRIAVFGXAVNPF-UHFFFAOYSA-N -1 0 422.234 4.615 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000216443505 568465438 /nfs/dbraw/zinc/46/54/38/568465438.db2.gz UXRKDTOCTQXDAA-QFIPXVFZSA-N -1 0 420.534 4.603 40 0 HJABRM CCn1c(Cl)nc2cc(C(=O)N(Cc3ccc(C(=O)[O-])o3)C3CCCC3)ccc21 ZINC000222553886 568518178 /nfs/dbraw/zinc/51/81/78/568518178.db2.gz HNTCGOBOQQHDER-UHFFFAOYSA-N -1 0 415.877 4.586 40 0 HJABRM C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)S1 ZINC000222630766 568521570 /nfs/dbraw/zinc/52/15/70/568521570.db2.gz NGJCAHJBVGQSGX-MRFFXTKBSA-N -1 0 405.479 4.629 40 0 HJABRM CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000222937661 568531645 /nfs/dbraw/zinc/53/16/45/568531645.db2.gz MDSUZXFZYZXZGQ-NHCUHLMSSA-N -1 0 421.522 4.668 40 0 HJABRM CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000222937863 568531683 /nfs/dbraw/zinc/53/16/83/568531683.db2.gz UZVXWXOTODHQBW-LEWJYISDSA-N -1 0 421.522 4.668 40 0 HJABRM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000223423429 568548481 /nfs/dbraw/zinc/54/84/81/568548481.db2.gz DSLQWMDMEVFODE-UHFFFAOYSA-N -1 0 424.613 4.916 40 0 HJABRM Cc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(C(=O)[O-])cc2Cl)cc1Cl ZINC000059843147 568709322 /nfs/dbraw/zinc/70/93/22/568709322.db2.gz MSLNLAABCQUVBT-UHFFFAOYSA-N -1 0 417.701 4.780 40 0 HJABRM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C(=O)[O-])cc3)N21 ZINC000260771911 568738547 /nfs/dbraw/zinc/73/85/47/568738547.db2.gz LZYVFQPTGVJUOK-CZAAIQMYSA-N -1 0 418.522 4.550 40 0 HJABRM CC1=Nc2ccccc2/C1=C/C=C1\Sc2ccccc2N1CCCS(=O)(=O)[O-] ZINC000334157186 568763635 /nfs/dbraw/zinc/76/36/35/568763635.db2.gz WAHAEPAEUPBHCX-BHWJBJQPSA-N -1 0 412.536 4.908 40 0 HJABRM CCCCC(=O)N1CCC[C@H]1c1nc(COc2ccccc2Cl)c(C(=O)[O-])s1 ZINC000257271140 568795995 /nfs/dbraw/zinc/79/59/95/568795995.db2.gz MXAHJFVAKMEQFZ-HNNXBMFYSA-N -1 0 422.934 4.927 40 0 HJABRM O=C([O-])CCCC(=O)N1CCC[C@H](Nc2cccc(Cl)c2)[C@@H]1Cc1ccccc1 ZINC000257287413 568800744 /nfs/dbraw/zinc/80/07/44/568800744.db2.gz PPWLKJVAGARBAH-SFTDATJTSA-N -1 0 414.933 4.609 40 0 HJABRM CCCCC(=O)N1CCC[C@@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257343405 568817136 /nfs/dbraw/zinc/81/71/36/568817136.db2.gz ZSVYFKSOFMYNGA-MRXNPFEDSA-N -1 0 422.934 4.927 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)c1C ZINC000006214008 569329984 /nfs/dbraw/zinc/32/99/84/569329984.db2.gz SYTWCSNNPZZDST-UHFFFAOYSA-N -1 0 420.962 4.820 40 0 HJABRM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000006235007 569330187 /nfs/dbraw/zinc/33/01/87/569330187.db2.gz VMFDPJQRTDFSHS-UHFFFAOYSA-N -1 0 400.887 4.702 40 0 HJABRM CCc1nc(SC(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)[O-])n[nH]1 ZINC000007342503 569337062 /nfs/dbraw/zinc/33/70/62/569337062.db2.gz AVLGRVMIIVPOQO-LCYFTJDESA-N -1 0 407.904 4.983 40 0 HJABRM Cc1nnc(S/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(=O)[O-])o1 ZINC000211530147 569356083 /nfs/dbraw/zinc/35/60/83/569356083.db2.gz NMQQRBSECPFSTA-YVLHZVERSA-N -1 0 402.859 4.828 40 0 HJABRM CCn1c(S/C(=C\c2ccc(OC)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000211521912 569356086 /nfs/dbraw/zinc/35/60/86/569356086.db2.gz WQDRBZSOEBWRBK-ATVHPVEESA-N -1 0 415.902 4.845 40 0 HJABRM O=C(CSc1ccccc1)c1cc(Br)cc(Br)c1[O-] ZINC000001102003 557179551 /nfs/dbraw/zinc/17/95/51/557179551.db2.gz LOCMIEZKPWXLRF-UHFFFAOYSA-N -1 0 402.107 4.892 40 0 HJABRM CCOc1cc(C(=O)[O-])cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550660 557431446 /nfs/dbraw/zinc/43/14/46/557431446.db2.gz GBWKJQHBFPZWPN-UHFFFAOYSA-N -1 0 418.660 4.761 40 0 HJABRM Cc1cc(NC(=O)c2cccc3c(Br)cccc23)cc(C(=O)[O-])c1O ZINC000020139068 558338196 /nfs/dbraw/zinc/33/81/96/558338196.db2.gz WETAHSCFKANLKZ-UHFFFAOYSA-N -1 0 400.228 4.567 40 0 HJABRM CC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000020454131 558368068 /nfs/dbraw/zinc/36/80/68/558368068.db2.gz UGGBROYYZSXTRR-OAQYLSRUSA-N -1 0 408.523 4.677 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)c1 ZINC000016291039 558783879 /nfs/dbraw/zinc/78/38/79/558783879.db2.gz SHDUIGGLLFCCJT-UHFFFAOYSA-N -1 0 420.962 4.774 40 0 HJABRM Cc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000095532176 559087220 /nfs/dbraw/zinc/08/72/20/559087220.db2.gz OGHPEAGNESAFNZ-HXUWFJFHSA-N -1 0 421.884 4.739 40 0 HJABRM COc1ccccc1-c1c(C)[n-]n2c1nc(CSc1ccc(Cl)cc1)cc2=O ZINC000100071932 559129527 /nfs/dbraw/zinc/12/95/27/559129527.db2.gz IHBCDEJRHZJPFT-UHFFFAOYSA-N -1 0 411.914 4.952 40 0 HJABRM CC1=C(C)C[C@H](C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000004949778 559214848 /nfs/dbraw/zinc/21/48/48/559214848.db2.gz TUDXFVSBNYXLLX-PMACEKPBSA-N -1 0 413.518 4.527 40 0 HJABRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000226855558 559274081 /nfs/dbraw/zinc/27/40/81/559274081.db2.gz MJLAGZQWLDNZLZ-UHFFFAOYSA-N -1 0 402.299 4.687 40 0 HJABRM COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)cc1OC ZINC000408999031 560663482 /nfs/dbraw/zinc/66/34/82/560663482.db2.gz RESLALLENNWDEN-FOVJLYNBSA-N -1 0 401.462 4.873 40 0 HJABRM CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)N(C)C2=S)cc1 ZINC000409041359 560669045 /nfs/dbraw/zinc/66/90/45/560669045.db2.gz ZYMJBTVXGDNQPI-YBEGLDIGSA-N -1 0 423.321 4.702 40 0 HJABRM O=C1[N-]C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)N1 ZINC000409053929 560671221 /nfs/dbraw/zinc/67/12/21/560671221.db2.gz DSDKAMZSRBYTEH-VCHYOVAHSA-N -1 0 413.260 4.906 40 0 HJABRM Cc1nnc(SC(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[O-])[nH]1 ZINC000409189303 560688698 /nfs/dbraw/zinc/68/86/98/560688698.db2.gz PBKWDRBBFOOVPC-GRSHGNNSSA-N -1 0 424.913 4.987 40 0 HJABRM O=C(Nc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000409408913 560722711 /nfs/dbraw/zinc/72/27/11/560722711.db2.gz FCWXSCNVFOAABH-UHFFFAOYSA-N -1 0 404.850 4.532 40 0 HJABRM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2ccc(Cl)cc2)cc3=O)cc1 ZINC000014163618 560839535 /nfs/dbraw/zinc/83/95/35/560839535.db2.gz DEYRRULOJJQEKT-UHFFFAOYSA-N -1 0 411.914 4.952 40 0 HJABRM CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000020151625 560875979 /nfs/dbraw/zinc/87/59/79/560875979.db2.gz KBTMDYBGXWVKRO-UHFFFAOYSA-N -1 0 411.310 4.942 40 0 HJABRM O=C([O-])COc1cc(NC(=O)c2cccc(Cl)c2)ccc1-c1nc2ccccc2o1 ZINC000020158306 560881803 /nfs/dbraw/zinc/88/18/03/560881803.db2.gz GCYZKEQIFONHGL-UHFFFAOYSA-N -1 0 422.824 4.864 40 0 HJABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004482412 560897010 /nfs/dbraw/zinc/89/70/10/560897010.db2.gz BCPFHFTYCQVWBK-IOWHJBRQSA-N -1 0 409.294 4.578 40 0 HJABRM O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000005101196 568433809 /nfs/dbraw/zinc/43/38/09/568433809.db2.gz SFVLIEZTBJKXKQ-IOWHJBRQSA-N -1 0 411.310 4.802 40 0 HJABRM C[C@@H](Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)[O-])c1ccccc1 ZINC000217610562 568473034 /nfs/dbraw/zinc/47/30/34/568473034.db2.gz IKXVPCRAVNLGBP-IAGOWNOFSA-N -1 0 424.522 4.597 40 0 HJABRM CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)[O-])s1 ZINC000222498312 568516747 /nfs/dbraw/zinc/51/67/47/568516747.db2.gz UURQRNAEFYOBCJ-NONVJHHQSA-N -1 0 419.543 4.509 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222633228 568521710 /nfs/dbraw/zinc/52/17/10/568521710.db2.gz AINGBCIQLFNDAV-LVXYXVKQSA-N -1 0 419.506 4.938 40 0 HJABRM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2SC)cc1 ZINC000223439978 568548927 /nfs/dbraw/zinc/54/89/27/568548927.db2.gz GMDUJTJPIIMHLY-UHFFFAOYSA-N -1 0 413.948 4.820 40 0 HJABRM CCCC[C@@H](CC)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000223934050 568563399 /nfs/dbraw/zinc/56/33/99/568563399.db2.gz AFJJLXUTZHUAGA-GOSISDBHSA-N -1 0 402.560 4.742 40 0 HJABRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000224002677 568565916 /nfs/dbraw/zinc/56/59/16/568565916.db2.gz FUTWNIKJKBZZCK-UHFFFAOYSA-N -1 0 412.511 4.621 40 0 HJABRM O=S(=O)([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccc2ccccc2c1 ZINC000224250342 568575334 /nfs/dbraw/zinc/57/53/34/568575334.db2.gz GYGKOSQYURVLNT-UHFFFAOYSA-N -1 0 401.900 4.813 40 0 HJABRM Cc1nc(-c2cccc(NC(=S)N[C@@H](CC(=O)[O-])c3ccc(F)cc3)c2)cs1 ZINC000225218859 568624134 /nfs/dbraw/zinc/62/41/34/568624134.db2.gz FHWNLBPCTCBHPE-KRWDZBQOSA-N -1 0 415.515 4.760 40 0 HJABRM O=C([O-])c1cc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3o2)c(Cl)c1 ZINC000059843156 568709273 /nfs/dbraw/zinc/70/92/73/568709273.db2.gz VHAFEJYHDVMZCQ-UHFFFAOYSA-N -1 0 409.250 4.565 40 0 HJABRM CN(CCCc1nc(N2CCC[C@@H]2c2ccccc2)ncc1C(=O)[O-])c1ccccc1 ZINC000257212457 568779804 /nfs/dbraw/zinc/77/98/04/568779804.db2.gz CDLVKSPUMLTWRI-HSZRJFAPSA-N -1 0 416.525 4.585 40 0 HJABRM CC(C)Cn1nc(-c2cc(F)c(F)cc2OCC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000257266271 568794479 /nfs/dbraw/zinc/79/44/79/568794479.db2.gz MCGGYDPLYSQRHO-UHFFFAOYSA-N -1 0 404.388 4.754 40 0 HJABRM O=C([O-])c1cccc(Cl)c1OCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000257321951 568811041 /nfs/dbraw/zinc/81/10/41/568811041.db2.gz WEAXVFQJIBTEGR-UHFFFAOYSA-N -1 0 423.896 4.689 40 0 HJABRM COc1ccc([C@H]2CCCN2c2ncc(C(=O)[O-])c(CCCc3ccccc3)n2)cc1 ZINC000257339239 568815755 /nfs/dbraw/zinc/81/57/55/568815755.db2.gz ZAWNCXLZVFJACZ-HSZRJFAPSA-N -1 0 417.509 4.700 40 0 HJABRM CCn1c(S/C(=C\c2ccccc2OC)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000211521695 569069933 /nfs/dbraw/zinc/06/99/33/569069933.db2.gz GLYUKHBISVZQML-ATVHPVEESA-N -1 0 415.902 4.845 40 0 HJABRM CCCc1nc(SC(=Cc2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)[O-])n[nH]1 ZINC000007342290 569337050 /nfs/dbraw/zinc/33/70/50/569337050.db2.gz GVJQVCDHVBHMDY-PDGQHHTCSA-N -1 0 410.543 4.999 40 0 HJABRM CCOc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1 ZINC000007603287 569337783 /nfs/dbraw/zinc/33/77/83/569337783.db2.gz JPRVEYZNWBCFFC-WJDWOHSUSA-N -1 0 401.875 4.742 40 0 HJABRM O=C([O-])c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000007603980 569337819 /nfs/dbraw/zinc/33/78/19/569337819.db2.gz ZJDVNWNZAASFEG-UHFFFAOYSA-N -1 0 404.029 4.628 40 0 HJABRM Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CCCC(=O)[O-])C1 ZINC000008624102 291279672 /nfs/dbraw/zinc/27/96/72/291279672.db2.gz AAQDYZARWBIMEO-UYAOXDASSA-N -1 0 423.557 4.570 40 0 biogenic,in-vitro HJABRM Cc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(C(=O)[O-])o3)ccc2Cl)c1 ZINC000226355753 524189189 /nfs/dbraw/zinc/18/91/89/524189189.db2.gz VRVZRZJWVNGGGG-UHFFFAOYSA-N -1 0 414.870 4.733 40 0 HJABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1O ZINC000020145433 526374793 /nfs/dbraw/zinc/37/47/93/526374793.db2.gz CXMWLUSMLSULEW-XBXARRHUSA-N -1 0 401.777 4.795 40 0 HJABRM CC(C)c1cc(C(F)(F)F)nc(NN=c2nc(C(C)C)cc(C(F)(F)F)[n-]2)n1 ZINC000001852074 557292184 /nfs/dbraw/zinc/29/21/84/557292184.db2.gz AKHFOJODMTWXAB-UHFFFAOYSA-N -1 0 408.350 4.990 40 0 in-vitro HJABRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cccc(Cl)c1 ZINC000003076996 557444990 /nfs/dbraw/zinc/44/49/90/557444990.db2.gz JFJRQLLFJSMJRB-UHFFFAOYSA-N -1 0 405.473 4.823 40 0 HJABRM O=C([O-])c1ccc(Cl)c(NC(=O)COc2ccc(C3SCCS3)cc2)c1 ZINC000408568815 557466222 /nfs/dbraw/zinc/46/62/22/557466222.db2.gz LFANKXCJIYRGFB-UHFFFAOYSA-N -1 0 409.916 4.534 40 0 HJABRM C[C@H](C(=O)[O-])N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O ZINC000008262046 557779267 /nfs/dbraw/zinc/77/92/67/557779267.db2.gz JWEROVQUXOREET-TVNQGELYSA-N -1 0 409.872 4.594 40 0 HJABRM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccc(C)cc1 ZINC000009859136 557850482 /nfs/dbraw/zinc/85/04/82/557850482.db2.gz HDWCYNYISGNRES-LJQANCHMSA-N -1 0 414.552 4.738 40 0 HJABRM COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000020139236 558338453 /nfs/dbraw/zinc/33/84/53/558338453.db2.gz DFHOBYUDIQMYRV-UHFFFAOYSA-N -1 0 414.255 4.870 40 0 HJABRM CCOc1ccc(/C=C/C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1OC ZINC000020151131 558340784 /nfs/dbraw/zinc/34/07/84/558340784.db2.gz IPPPSICOXMMUEG-FNORWQNLSA-N -1 0 410.253 4.751 40 0 HJABRM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020453257 558367435 /nfs/dbraw/zinc/36/74/35/558367435.db2.gz QWHRYNNINYZTMD-UHFFFAOYSA-N -1 0 424.522 4.666 40 0 HJABRM CC(C)C[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2ON1c1ccccc1 ZINC000101087548 558826913 /nfs/dbraw/zinc/82/69/13/558826913.db2.gz VWOCTRMVELYDAU-ZRBLBEILSA-N -1 0 400.478 4.564 40 0 HJABRM O=C([O-])[C@H]1CC(=O)N(c2ccc3nc(-c4cccc5c(Cl)cccc45)oc3c2)C1 ZINC000070461309 558892133 /nfs/dbraw/zinc/89/21/33/558892133.db2.gz XNMLCIGNJHHXJP-LBPRGKRZSA-N -1 0 406.825 4.739 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000071980516 558917338 /nfs/dbraw/zinc/91/73/38/558917338.db2.gz CFVRDQDYZYTGHB-FOCKTWCOSA-N -1 0 414.329 4.852 40 0 HJABRM O=C([O-])c1c(Br)c2cc(OC(F)(F)F)ccc2nc1C(F)(F)F ZINC000096171858 559101149 /nfs/dbraw/zinc/10/11/49/559101149.db2.gz XMTZGADFATXNDM-UHFFFAOYSA-N -1 0 404.060 4.613 40 0 HJABRM O=C([O-])c1ccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)o1 ZINC000226352928 559273467 /nfs/dbraw/zinc/27/34/67/559273467.db2.gz YBMOUIJNWIDSAI-UHFFFAOYSA-N -1 0 412.250 4.752 40 0 HJABRM CCCCCCOc1ccc(OS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000226856230 559274139 /nfs/dbraw/zinc/27/41/39/559274139.db2.gz FPPVFIOQARDJGM-UHFFFAOYSA-N -1 0 412.891 4.765 40 0 HJABRM COc1cccc(-c2cc(-c3cc(C)ccc3OCC(=O)[O-])nn2CC(C)C)c1OC ZINC000257213924 559282734 /nfs/dbraw/zinc/28/27/34/559282734.db2.gz CJSMXYMMINEVHJ-UHFFFAOYSA-N -1 0 424.497 4.662 40 0 HJABRM O=C([O-])[C@H]1CS[C@@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N1 ZINC000408809088 560643743 /nfs/dbraw/zinc/64/37/43/560643743.db2.gz HUWDGEXYQUYVBT-AEFFLSMTSA-N -1 0 407.322 4.785 40 0 HJABRM CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000006352240 560741179 /nfs/dbraw/zinc/74/11/79/560741179.db2.gz ZDMPTOSUPFWZOA-HNNXBMFYSA-N -1 0 408.951 4.676 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)cc1C ZINC000006707046 560745442 /nfs/dbraw/zinc/74/54/42/560745442.db2.gz UNROTEIVWQMALK-UHFFFAOYSA-N -1 0 408.951 4.534 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2Cl)c1 ZINC000010112564 560764153 /nfs/dbraw/zinc/76/41/53/560764153.db2.gz DRNUHQIIPAPXPU-OAHLLOKOSA-N -1 0 420.962 4.630 40 0 HJABRM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-] ZINC000169619998 560765107 /nfs/dbraw/zinc/76/51/07/560765107.db2.gz KMGHPDNJIREZLH-QISBLDNZSA-N -1 0 419.543 4.680 40 0 HJABRM Cc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])cc1Cl ZINC000016312729 560859872 /nfs/dbraw/zinc/85/98/72/560859872.db2.gz KQKOUQQWTUKBNY-UHFFFAOYSA-N -1 0 417.701 4.780 40 0 HJABRM O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000005094785 568433257 /nfs/dbraw/zinc/43/32/57/568433257.db2.gz QWAQYPGQLGNARW-QPNXVFALSA-N -1 0 411.310 4.802 40 0 HJABRM CCOc1ccc(Nc2nc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)cs2)cc1 ZINC000006784114 568459338 /nfs/dbraw/zinc/45/93/38/568459338.db2.gz ZWWSEZNMNWQAIG-UHFFFAOYSA-N -1 0 411.483 4.756 40 0 HJABRM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1C ZINC000218802652 568483753 /nfs/dbraw/zinc/48/37/53/568483753.db2.gz YAQSUPHJLSCCPT-MRXNPFEDSA-N -1 0 414.552 4.657 40 0 HJABRM C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)S1 ZINC000222630910 568521532 /nfs/dbraw/zinc/52/15/32/568521532.db2.gz NGJCAHJBVGQSGX-SVIJTADQSA-N -1 0 405.479 4.629 40 0 HJABRM O=C(NCc1cccc2ccccc21)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000222862712 568528874 /nfs/dbraw/zinc/52/88/74/568528874.db2.gz QYVAIVDMNZMKGK-UHFFFAOYSA-N -1 0 422.531 4.632 40 0 HJABRM CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000222937602 568531693 /nfs/dbraw/zinc/53/16/93/568531693.db2.gz MDSUZXFZYZXZGQ-LEWJYISDSA-N -1 0 421.522 4.668 40 0 HJABRM CC(C)c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000224086776 568569303 /nfs/dbraw/zinc/56/93/03/568569303.db2.gz HLRGVGDSWORIBW-UHFFFAOYSA-N -1 0 414.552 4.602 40 0 HJABRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)s2)cc1 ZINC000224404119 568580378 /nfs/dbraw/zinc/58/03/78/568580378.db2.gz VSVKABGNZYDXMG-UHFFFAOYSA-N -1 0 400.312 4.621 40 0 HJABRM COc1cc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccc(C)cc3)s2)cc1C(C)C ZINC000224547603 568584638 /nfs/dbraw/zinc/58/46/38/568584638.db2.gz WKTVTVMFXNIXHD-UHFFFAOYSA-N -1 0 417.556 4.755 40 0 HJABRM C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1 ZINC000260772091 568738468 /nfs/dbraw/zinc/73/84/68/568738468.db2.gz MJPHRICYADKSML-CAYVGHNUSA-N -1 0 405.479 4.629 40 0 HJABRM O=S(=O)([N-]c1cnc(Oc2ccccc2F)nc1)c1ccc(-c2ccccc2)cc1 ZINC000224287305 569056790 /nfs/dbraw/zinc/05/67/90/569056790.db2.gz ASDBHROPVFTQIT-UHFFFAOYSA-N -1 0 421.453 4.876 40 0 HJABRM O=C([O-])[C@@H](CSC(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000005603333 569255790 /nfs/dbraw/zinc/25/57/90/569255790.db2.gz DETYTTPLYPPXAB-OAQYLSRUSA-N -1 0 421.518 4.889 40 0 HJABRM Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)S2)c(C)c1 ZINC000006964491 569336497 /nfs/dbraw/zinc/33/64/97/569336497.db2.gz NKPYIEDJOFXDNU-MOSHPQCFSA-N -1 0 417.490 4.684 40 0 HJABRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(C)cc2)C(=O)[O-])o1 ZINC000007342171 569336957 /nfs/dbraw/zinc/33/69/57/569336957.db2.gz ZECHBQVYAPUDFW-SXGWCWSVSA-N -1 0 402.859 4.925 40 0 HJABRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2sccc2C)C(=O)[O-])o1 ZINC000007342175 569336961 /nfs/dbraw/zinc/33/69/61/569336961.db2.gz VZKBFPAWCVEZTQ-ZSOIEALJSA-N -1 0 408.888 4.986 40 0 HJABRM CCOc1ccccc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000007603313 569337830 /nfs/dbraw/zinc/33/78/30/569337830.db2.gz XFEBSRQHFPCCPQ-WJDWOHSUSA-N -1 0 401.875 4.742 40 0 HJABRM CCc1ccc(N2C(=O)C(=Cc3cccc(C(F)(F)F)c3)C(=O)[N-]C2=S)cc1 ZINC000033630972 569350763 /nfs/dbraw/zinc/35/07/63/569350763.db2.gz BLZNLMNQFYKHRU-LFIBNONCSA-N -1 0 404.413 4.939 40 0 HJABRM CCc1ccc(N2C(=O)C(=Cc3cc(Br)cs3)C(=O)[N-]C2=S)cc1 ZINC000035131781 569351660 /nfs/dbraw/zinc/35/16/60/569351660.db2.gz QJUOPYZLRUXXAL-RIYZIHGNSA-N -1 0 421.341 4.745 40 0 HJABRM Cc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018113815 569383700 /nfs/dbraw/zinc/38/37/00/569383700.db2.gz KHHCYVQXMCAFRN-FKBYEOEOSA-N -1 0 418.880 4.700 40 0 HJABRM COc1cc2cc(C(=O)[O-])cc(-c3ccc(Br)cc3)c2c(OC)c1OC ZINC000062702280 569388183 /nfs/dbraw/zinc/38/81/83/569388183.db2.gz IMRBCEKHKLPKKG-UHFFFAOYSA-N -1 0 417.255 4.993 40 0 HJABRM O=C([O-])COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Cl)cc1 ZINC000008703678 132332223 /nfs/dbraw/zinc/33/22/23/132332223.db2.gz UUEWJYJPTPVFAS-NRFANRHFSA-N -1 0 408.841 4.575 40 0 HJABRM CC(C)n1c(/C=C/[C@@H](O)CC(=O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 ZINC000044699677 519918516 /nfs/dbraw/zinc/91/85/16/519918516.db2.gz GCZHCYUTPUSSIJ-IENJSVCTSA-N -1 0 409.457 4.836 40 0 in-vitro HJABRM COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccccc3Cl)C(=O)[O-])o2)c1 ZINC000408631557 557570040 /nfs/dbraw/zinc/57/00/40/557570040.db2.gz FOGCVAANIZLSKE-SXGWCWSVSA-N -1 0 418.858 4.625 40 0 HJABRM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005579274 557663199 /nfs/dbraw/zinc/66/31/99/557663199.db2.gz QTVVJXSFRWYIPV-UHFFFAOYSA-N -1 0 400.887 4.702 40 0 HJABRM CCSc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000019933142 558311172 /nfs/dbraw/zinc/31/11/72/558311172.db2.gz MMBKMVPQVQGRIB-UHFFFAOYSA-N -1 0 412.536 4.852 40 0 HJABRM O=C([O-])c1cc(NC(=O)Cc2ccc(Br)cc2)c(Cl)cc1Cl ZINC000020137172 558337735 /nfs/dbraw/zinc/33/77/35/558337735.db2.gz HIOFBHNGHHFWKW-UHFFFAOYSA-N -1 0 403.059 4.635 40 0 HJABRM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020140250 558338592 /nfs/dbraw/zinc/33/85/92/558338592.db2.gz VYXMYLVALDKUMS-UHFFFAOYSA-N -1 0 405.328 4.925 40 0 HJABRM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000038753772 558813994 /nfs/dbraw/zinc/81/39/94/558813994.db2.gz ATVRAHCJNGUUCK-QGZVFWFLSA-N -1 0 424.522 4.808 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(C(F)(F)F)c1 ZINC000071980484 558917226 /nfs/dbraw/zinc/91/72/26/558917226.db2.gz MCVUZFXJKQJAKZ-FXUPRZHBSA-N -1 0 413.436 4.564 40 0 HJABRM Cc1noc(C)c1CCc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000019580874 558936454 /nfs/dbraw/zinc/93/64/54/558936454.db2.gz LSEUYNTYYDHOCY-UHFFFAOYSA-N -1 0 402.376 4.511 40 0 HJABRM CCCOc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1OCCC ZINC000072414307 558977911 /nfs/dbraw/zinc/97/79/11/558977911.db2.gz MYPPKTFCEFDQDH-UHFFFAOYSA-N -1 0 400.500 4.613 40 0 HJABRM O=C([O-])/C=C/c1ccc(OCc2ccccc2Cl)c(I)c1 ZINC000226333655 559273229 /nfs/dbraw/zinc/27/32/29/559273229.db2.gz YMCLKRQCFFBGOO-SOFGYWHQSA-N -1 0 414.626 4.621 40 0 HJABRM CCCCc1ccc(-c2nc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])sc2C)cc1 ZINC000006593020 560631833 /nfs/dbraw/zinc/63/18/33/560631833.db2.gz VEUVAJJBHUDSHS-XWSJACJDSA-N -1 0 410.539 4.923 40 0 HJABRM COc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)c1OC ZINC000408994794 560663279 /nfs/dbraw/zinc/66/32/79/560663279.db2.gz JFDPWODHHIQJQK-PTUXOGIPSA-N -1 0 401.462 4.873 40 0 HJABRM O=C([O-])Cn1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000409130891 560681852 /nfs/dbraw/zinc/68/18/52/560681852.db2.gz OBQNJAXSLHZFLQ-IUXPMGMMSA-N -1 0 412.854 4.620 40 0 HJABRM CCc1cccc(C)c1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000409411981 560721752 /nfs/dbraw/zinc/72/17/52/560721752.db2.gz OXKDTWNVUYODFF-UHFFFAOYSA-N -1 0 408.523 4.919 40 0 HJABRM O=C([O-])c1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)c(Cl)cc1Cl ZINC000020152244 560876011 /nfs/dbraw/zinc/87/60/11/560876011.db2.gz YNFBEABFZVDYBA-UHFFFAOYSA-N -1 0 419.289 4.972 40 0 HJABRM Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000005577175 568447241 /nfs/dbraw/zinc/44/72/41/568447241.db2.gz QFBPGWOTJNCCBZ-XWSJACJDSA-N -1 0 410.539 4.778 40 0 HJABRM CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000222937742 568531685 /nfs/dbraw/zinc/53/16/85/568531685.db2.gz UZVXWXOTODHQBW-SFTDATJTSA-N -1 0 421.522 4.668 40 0 HJABRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CSc2ccccc2)cc1 ZINC000223689928 568556290 /nfs/dbraw/zinc/55/62/90/568556290.db2.gz KEHPJJSKGPXAHU-UHFFFAOYSA-N -1 0 403.500 4.927 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2Cl)cc1C ZINC000225201044 568622384 /nfs/dbraw/zinc/62/23/84/568622384.db2.gz CFTYPGQLCUXOEF-OAHLLOKOSA-N -1 0 408.951 4.532 40 0 HJABRM CSc1ccc([C@@H](CC(=O)[O-])NC(=S)Nc2ccc3sncc3c2)cc1 ZINC000225214924 568623695 /nfs/dbraw/zinc/62/36/95/568623695.db2.gz OJMLZRPUSIMYMU-OAHLLOKOSA-N -1 0 403.554 4.521 40 0 HJABRM Cc1ccc(-c2nnc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)s2)cc1 ZINC000225382298 568632968 /nfs/dbraw/zinc/63/29/68/568632968.db2.gz TZGAVQIVGSEUTD-UHFFFAOYSA-N -1 0 414.339 4.762 40 0 HJABRM COc1ccc(CCN(CC(=O)[O-])C(=O)c2ccccc2Oc2ccc(C)cc2)cc1 ZINC000257222808 568782812 /nfs/dbraw/zinc/78/28/12/568782812.db2.gz DUTNLLFGHINKCK-UHFFFAOYSA-N -1 0 419.477 4.565 40 0 HJABRM C[C@]1(NC(=O)CCO)C[C@H](c2cc(Cl)ccc2O)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257292688 568802232 /nfs/dbraw/zinc/80/22/32/568802232.db2.gz QMOREWCFPPZFTF-QKNQBKEWSA-N -1 0 424.324 4.549 40 0 HJABRM CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(C[C@@H](O)CC)n1 ZINC000257328552 568812650 /nfs/dbraw/zinc/81/26/50/568812650.db2.gz XGDXWUSYICDUGK-SFHVURJKSA-N -1 0 412.461 4.614 40 0 HJABRM Cc1ccc(NC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)c2nnn[n-]2)cc1 ZINC000027562010 568919581 /nfs/dbraw/zinc/91/95/81/568919581.db2.gz HETTWHNKEQXRSK-SFQUDFHCSA-N -1 0 405.845 4.601 40 0 HJABRM CC[C@@H](C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329037166 568974064 /nfs/dbraw/zinc/97/40/64/568974064.db2.gz RMXPICVGNDAMOP-GFCCVEGCSA-N -1 0 403.313 4.954 40 0 HJABRM Cc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)[O-])o1 ZINC000007365734 569337484 /nfs/dbraw/zinc/33/74/84/569337484.db2.gz PUSFWMLSRJZQFH-NDENLUEZSA-N -1 0 405.479 4.907 40 0 HJABRM COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1Br ZINC000211505590 569355967 /nfs/dbraw/zinc/35/59/67/569355967.db2.gz YESBDFSPDIODGZ-DHDCSXOGSA-N -1 0 406.257 4.817 40 0 HJABRM CC(C)CC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3 ZINC000040564923 291273748 /nfs/dbraw/zinc/27/37/48/291273748.db2.gz FIOZUJXSEZUYCS-MTSAZYMTSA-N -1 0 420.590 4.804 40 0 biogenic,in-vitro HJABRM CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000044884252 518754056 /nfs/dbraw/zinc/75/40/56/518754056.db2.gz CFOJULQIQJXIPC-UHFFFAOYSA-N -1 0 424.522 4.808 40 0 HJABRM O=S(=O)([N-]c1cnn(Cc2cccc(Cl)c2)c1)c1cc(Cl)ccc1Cl ZINC000032610534 527257515 /nfs/dbraw/zinc/25/75/15/527257515.db2.gz GUDRJFQPECTUEZ-UHFFFAOYSA-N -1 0 416.717 4.692 40 0 HJABRM CCOC(=O)C1=C([O-])c2c(-c3ccccc3)csc2N(C(=O)c2ccccc2)CC1 ZINC000001692888 557280934 /nfs/dbraw/zinc/28/09/34/557280934.db2.gz VGKQZTCHEWERLO-SFHVURJKSA-N -1 0 419.502 4.828 40 0 HJABRM CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C1=O ZINC000408545265 557363882 /nfs/dbraw/zinc/36/38/82/557363882.db2.gz XDNPTXHOGREBHN-UZPSYVQNSA-N -1 0 424.478 4.816 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)cc1 ZINC000408548463 557375405 /nfs/dbraw/zinc/37/54/05/557375405.db2.gz SCYZKWRLPNCYLD-UHFFFAOYSA-N -1 0 422.978 4.860 40 0 HJABRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 ZINC000408545901 557376326 /nfs/dbraw/zinc/37/63/26/557376326.db2.gz BFMKCUIRRVIMHQ-UHFFFAOYSA-N -1 0 424.566 4.850 40 0 HJABRM Cc1ccc(NC(=O)COc2cccc(CNc3cccc(C(=O)[O-])c3)c2)cc1Cl ZINC000408603619 557524455 /nfs/dbraw/zinc/52/44/55/557524455.db2.gz BZVAHCIKXURBRW-UHFFFAOYSA-N -1 0 424.884 4.976 40 0 HJABRM COc1cccc(NC(=O)c2cnc([N-]c3nc(-c4ccccc4)cs3)nc2C)c1 ZINC000019819574 558289888 /nfs/dbraw/zinc/28/98/88/558289888.db2.gz XQADWKODBAYQRT-UHFFFAOYSA-N -1 0 417.494 4.913 40 0 HJABRM Cc1nc([N-]c2nc(C)c3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)nc2ccccc12 ZINC000020634851 558395670 /nfs/dbraw/zinc/39/56/70/558395670.db2.gz FTKMUJWVOCTNJX-INIZCTEOSA-N -1 0 413.456 4.832 40 0 HJABRM Cc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1C ZINC000026892226 558666362 /nfs/dbraw/zinc/66/63/62/558666362.db2.gz QMHIEEWTOGXGNA-XMMPIXPASA-N -1 0 415.489 4.838 40 0 HJABRM Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(Cl)c3)C2=O)c1 ZINC000101089516 558826930 /nfs/dbraw/zinc/82/69/30/558826930.db2.gz GVADMOBWKCUKNK-VSKRKVRLSA-N -1 0 418.880 4.700 40 0 HJABRM O=C([O-])c1ccc(CN(Cc2ccccc2)C(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000585091726 559022822 /nfs/dbraw/zinc/02/28/22/559022822.db2.gz FMMTXKLZADQKPT-UHFFFAOYSA-N -1 0 401.462 4.552 40 0 HJABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000118934459 559206414 /nfs/dbraw/zinc/20/64/14/559206414.db2.gz JIAQXWKDZDJACF-RPKYOAFDSA-N -1 0 418.574 4.867 40 0 HJABRM CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000226855694 559274145 /nfs/dbraw/zinc/27/41/45/559274145.db2.gz MSHYTDNIQONGQW-UHFFFAOYSA-N -1 0 422.717 4.950 40 0 HJABRM CCC[C@@H](CC(=O)[O-])c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@@H](C)[C@H](C)C2=O ZINC000072320173 560078081 /nfs/dbraw/zinc/07/80/81/560078081.db2.gz UDVTWMLZUGXNQM-KKUMJFAQSA-N -1 0 404.503 4.868 40 0 biogenic,in-vitro HJABRM Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cs1 ZINC000006681733 560632308 /nfs/dbraw/zinc/63/23/08/560632308.db2.gz WXPYSUNHLDYTKR-UHFFFAOYSA-N -1 0 406.916 4.763 40 0 HJABRM O=C([O-])Cn1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000409124282 560680699 /nfs/dbraw/zinc/68/06/99/560680699.db2.gz AZWDWSGRUWHTLH-MFOYZWKCSA-N -1 0 412.854 4.620 40 0 HJABRM COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c(Cl)c1Cl ZINC000409177634 560687370 /nfs/dbraw/zinc/68/73/70/560687370.db2.gz HDGJWIGONBEAIA-UHFFFAOYSA-N -1 0 415.125 4.787 40 0 HJABRM Cc1nnc(SC(=Cc2ccc(Sc3nc4ccccc4s3)o2)C(=O)[O-])[nH]1 ZINC000409194593 560690025 /nfs/dbraw/zinc/69/00/25/560690025.db2.gz PLCOPPYBYFRWQZ-JYRVWZFOSA-N -1 0 416.509 4.685 40 0 HJABRM Cc1nnc(SC(=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)[O-])[nH]1 ZINC000409189933 560691101 /nfs/dbraw/zinc/69/11/01/560691101.db2.gz NVYMFPVDCCEVPS-MFOYZWKCSA-N -1 0 419.865 4.702 40 0 HJABRM O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000409410754 560721382 /nfs/dbraw/zinc/72/13/82/560721382.db2.gz PJMYXEULQBRNCO-UHFFFAOYSA-N -1 0 404.850 4.532 40 0 HJABRM CC(C)(C)c1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1 ZINC000014152999 560839166 /nfs/dbraw/zinc/83/91/66/560839166.db2.gz URVHQXQLUMVMTK-UHFFFAOYSA-N -1 0 408.473 4.993 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2Cl)c1 ZINC000014154887 560840056 /nfs/dbraw/zinc/84/00/56/560840056.db2.gz WIIIQRGVFGPYJI-UHFFFAOYSA-N -1 0 418.877 4.841 40 0 HJABRM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(C(=O)[O-])cc3)o2)cc1Cl ZINC000017090134 560864972 /nfs/dbraw/zinc/86/49/72/560864972.db2.gz ILGXOOKOTJPZIN-UHFFFAOYSA-N -1 0 414.870 4.733 40 0 HJABRM O=C([O-])COc1ccc(NC(=O)c2ccccc2F)cc1-c1nc2ccccc2s1 ZINC000020158019 560881797 /nfs/dbraw/zinc/88/17/97/560881797.db2.gz DVBUFEAUUADOQR-UHFFFAOYSA-N -1 0 422.437 4.818 40 0 HJABRM CCc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Br)c2)cc1CC ZINC000005556987 568447139 /nfs/dbraw/zinc/44/71/39/568447139.db2.gz HPCUKENXULVLKS-LJQANCHMSA-N -1 0 418.331 4.828 40 0 HJABRM O=C([O-])c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)NC2CCCCCC2)c1 ZINC000217450887 568472199 /nfs/dbraw/zinc/47/21/99/568472199.db2.gz PPPZDEJLTKLMIP-UHFFFAOYSA-N -1 0 420.575 4.688 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222633421 568521726 /nfs/dbraw/zinc/52/17/26/568521726.db2.gz AINGBCIQLFNDAV-WVFSVQOHSA-N -1 0 419.506 4.938 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222850614 568528436 /nfs/dbraw/zinc/52/84/36/568528436.db2.gz GAWKFDYRGULRAY-LEWJYISDSA-N -1 0 421.522 4.729 40 0 HJABRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2OC)cc1 ZINC000223646363 568554837 /nfs/dbraw/zinc/55/48/37/568554837.db2.gz PMEDDVWZSAQMSX-UHFFFAOYSA-N -1 0 419.886 4.950 40 0 HJABRM CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225713311 568666745 /nfs/dbraw/zinc/66/67/45/568666745.db2.gz RLOQXKSSIAZNCF-UHFFFAOYSA-N -1 0 408.570 4.557 40 0 HJABRM COC(=O)c1c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCCC2 ZINC000059453906 568704103 /nfs/dbraw/zinc/70/41/03/568704103.db2.gz OYHNJHRVSMYFHI-UHFFFAOYSA-N -1 0 420.339 4.521 40 0 HJABRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1Cl ZINC000096957112 568722055 /nfs/dbraw/zinc/72/20/55/568722055.db2.gz FOANQAVZPMKTDD-UHFFFAOYSA-N -1 0 400.205 4.822 40 0 HJABRM CC1=Nc2ccccc2/C1=C/C=C1/Sc2ccccc2N1CCCS(=O)(=O)[O-] ZINC000334157187 568763681 /nfs/dbraw/zinc/76/36/81/568763681.db2.gz WAHAEPAEUPBHCX-HQGSEVQBSA-N -1 0 412.536 4.908 40 0 HJABRM O=C([O-])CCN(CCc1ccccc1)C(=O)c1ccc(OCc2ccccc2F)cc1 ZINC000257314485 568808632 /nfs/dbraw/zinc/80/86/32/568808632.db2.gz UXEWPSAHLRVONP-UHFFFAOYSA-N -1 0 421.468 4.564 40 0 HJABRM Cc1cccc(-c2cc(C[C@@]3(C(=O)[O-])CCCN(C(=O)CCC4CCCC4)C3)on2)c1 ZINC000057773700 568860580 /nfs/dbraw/zinc/86/05/80/568860580.db2.gz KSQKBWGVADBKJT-VWLOTQADSA-N -1 0 424.541 4.856 40 0 HJABRM CC[C@H](C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329037175 568974013 /nfs/dbraw/zinc/97/40/13/568974013.db2.gz RMXPICVGNDAMOP-LBPRGKRZSA-N -1 0 403.313 4.954 40 0 HJABRM O=[P@@]([O-])(O)[C@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000027987265 568987255 /nfs/dbraw/zinc/98/72/55/568987255.db2.gz SNOZOGKEGACREK-QHCPKHFHSA-N -1 0 419.421 4.505 40 0 HJABRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000007468837 569337564 /nfs/dbraw/zinc/33/75/64/569337564.db2.gz KIMFUQUOKHXWLR-HYARGMPZSA-N -1 0 419.525 4.622 40 0 HJABRM Cc1c(Cl)cccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000008434547 569341057 /nfs/dbraw/zinc/34/10/57/569341057.db2.gz GJDPCZATJXNJHI-UHFFFAOYSA-N -1 0 408.841 4.851 40 0 HJABRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1Sc1ccccc1 ZINC000033850667 569351462 /nfs/dbraw/zinc/35/14/62/569351462.db2.gz JUQHVSNBHFSDRO-AQTBWJFISA-N -1 0 404.447 4.933 40 0 HJABRM CCc1nc(SC(=Cc2ccccc2OCc2ccccc2Cl)C(=O)[O-])n[nH]1 ZINC000213393012 569356185 /nfs/dbraw/zinc/35/61/85/569356185.db2.gz XEODLRSYHSIPJX-BOPFTXTBSA-N -1 0 415.902 4.817 40 0 HJABRM O=C([O-])CC(=O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000067665313 569397964 /nfs/dbraw/zinc/39/79/64/569397964.db2.gz MNQDQKPGBOCXNP-IENJSVCTSA-N -1 0 419.452 4.726 40 0 in-vitro HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)c1 ZINC000044886643 524690175 /nfs/dbraw/zinc/69/01/75/524690175.db2.gz WWHAZAHZVPBEHD-UHFFFAOYSA-N -1 0 420.962 4.854 40 0 HJABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020139810 526235951 /nfs/dbraw/zinc/23/59/51/526235951.db2.gz PJDMQALVVRZRBT-UHFFFAOYSA-N -1 0 400.228 4.968 40 0 HJABRM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(Br)c1 ZINC000032118579 527459558 /nfs/dbraw/zinc/45/95/58/527459558.db2.gz GHSPYBQKWHFQHG-UHFFFAOYSA-N -1 0 420.115 4.588 40 0 HJABRM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)c1 ZINC000408544674 557362612 /nfs/dbraw/zinc/36/26/12/557362612.db2.gz ILCUHBREDGKLGB-UHFFFAOYSA-N -1 0 408.951 4.534 40 0 HJABRM COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)[O-])o3)n2)cc1 ZINC000408558659 557455932 /nfs/dbraw/zinc/45/59/32/557455932.db2.gz VCOQVNRXTGNLCH-UHFFFAOYSA-N -1 0 410.373 4.755 40 0 HJABRM CCOC(=O)Cn1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c2ccccc21 ZINC000408635175 557598619 /nfs/dbraw/zinc/59/86/19/557598619.db2.gz XORSLJZBOZVQIM-ODLFYWEKSA-N -1 0 422.462 4.563 40 0 HJABRM CCc1ccc(N2C(=O)C(=Cc3ccccc3Br)C(=O)[N-]C2=S)cc1 ZINC000035225161 557614455 /nfs/dbraw/zinc/61/44/55/557614455.db2.gz DZSNBHPNRMSQNR-RVDMUPIBSA-N -1 0 415.312 4.683 40 0 HJABRM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 ZINC000408701240 557721189 /nfs/dbraw/zinc/72/11/89/557721189.db2.gz UVQDETOERGOLLB-UHFFFAOYSA-N -1 0 405.516 4.576 40 0 HJABRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2scc(-c3ccccc3)c21 ZINC000006927883 557730593 /nfs/dbraw/zinc/73/05/93/557730593.db2.gz KLNYPDHOFXKIRH-IBGZPJMESA-N -1 0 414.490 4.947 40 0 HJABRM C[C@@]1(C(=O)[O-])CC[C@H]2[C@@H](CC=C3C[C@H](O)CC[C@]32C)[C@H]1C[C@H]1Nc2ccccc2C1=O ZINC000008616135 557796886 /nfs/dbraw/zinc/79/68/86/557796886.db2.gz LSPRYAWXULXANH-CLCNMJHVSA-N -1 0 423.553 4.668 40 0 HJABRM Cc1cc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000010009730 557853752 /nfs/dbraw/zinc/85/37/52/557853752.db2.gz DSUJNUGWOLSCIO-UHFFFAOYSA-N -1 0 400.525 4.726 40 0 HJABRM COc1c(Br)c2ccccc2cc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000020139227 558338284 /nfs/dbraw/zinc/33/82/84/558338284.db2.gz FSKJNVIVQZJWPN-UHFFFAOYSA-N -1 0 414.255 4.870 40 0 HJABRM O=C([O-])c1ccc(CNC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000020151080 558340776 /nfs/dbraw/zinc/34/07/76/558340776.db2.gz BCZNRQIZIVCIML-PKNBQFBNSA-N -1 0 415.367 4.993 40 0 HJABRM Cc1ccc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020484071 558376032 /nfs/dbraw/zinc/37/60/32/558376032.db2.gz UXHDUSQXPAVHSI-SFHVURJKSA-N -1 0 408.523 4.595 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071980509 558917358 /nfs/dbraw/zinc/91/73/58/558917358.db2.gz AEOBAVYLSSWXBY-CZDRUDQFSA-N -1 0 413.436 4.564 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1C(F)(F)F ZINC000071980535 558917441 /nfs/dbraw/zinc/91/74/41/558917441.db2.gz YJFARKRMFMBQRL-WGAFOPHPSA-N -1 0 413.436 4.564 40 0 HJABRM Cc1ccc(N[C@H](CC(=O)c2c([O-])c3ccccc3n(C)c2=O)c2ccco2)cc1 ZINC000104827704 559161659 /nfs/dbraw/zinc/16/16/59/559161659.db2.gz RMFDNXXOACWZRK-GOSISDBHSA-N -1 0 402.450 4.572 40 0 HJABRM COc1ccc(Br)cc1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-] ZINC000007603005 559254211 /nfs/dbraw/zinc/25/42/11/559254211.db2.gz HVBPJTLXQRVAMU-DHDCSXOGSA-N -1 0 406.257 4.817 40 0 HJABRM CCOc1cc(C(=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000226364772 559273738 /nfs/dbraw/zinc/27/37/38/559273738.db2.gz ZEZMQOZTRYKHDT-UHFFFAOYSA-N -1 0 415.239 4.918 40 0 HJABRM CCCCCCOc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000226860708 559274135 /nfs/dbraw/zinc/27/41/35/559274135.db2.gz SNXUMGAPZKSWOT-UHFFFAOYSA-N -1 0 412.891 4.765 40 0 HJABRM O=C([O-])c1ccc(-c2ccc(CN3CCC[C@H]3c3nc4ccccc4[nH]3)o2)cc1O ZINC000257339523 559283464 /nfs/dbraw/zinc/28/34/64/559283464.db2.gz ZCBVRHJQYWDKFH-IBGZPJMESA-N -1 0 403.438 4.564 40 0 HJABRM O=C([O-])c1ccc(-c2ccc(CN3CCC[C@@H]3c3nc4ccccc4[nH]3)o2)cc1O ZINC000257339524 559283475 /nfs/dbraw/zinc/28/34/75/559283475.db2.gz ZCBVRHJQYWDKFH-LJQANCHMSA-N -1 0 403.438 4.564 40 0 HJABRM O=C([O-])[C@H]1CS[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000408817234 560644730 /nfs/dbraw/zinc/64/47/30/560644730.db2.gz XKIRALXPLLJYTM-AEFFLSMTSA-N -1 0 407.322 4.785 40 0 HJABRM COC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)[O-])s2)cc1 ZINC000408886622 560650222 /nfs/dbraw/zinc/65/02/22/560650222.db2.gz KVECRRLQXMGHEP-UHFFFAOYSA-N -1 0 402.859 4.621 40 0 HJABRM COc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)c1OC ZINC000408994792 560663263 /nfs/dbraw/zinc/66/32/63/560663263.db2.gz JFDPWODHHIQJQK-OIBXWCBGSA-N -1 0 401.462 4.873 40 0 HJABRM O=C([O-])c1ccc(-n2cccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000409142321 560681882 /nfs/dbraw/zinc/68/18/82/560681882.db2.gz KRNMWEPXRKHEDZ-CPNJWEJPSA-N -1 0 410.495 4.792 40 0 HJABRM Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000409380559 560718619 /nfs/dbraw/zinc/71/86/19/560718619.db2.gz GZOBWSRQXRBBMK-UHFFFAOYSA-N -1 0 400.887 4.702 40 0 HJABRM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)c1C ZINC000014153454 560839146 /nfs/dbraw/zinc/83/91/46/560839146.db2.gz NLRKHJCPWWVAQD-UHFFFAOYSA-N -1 0 412.486 4.804 40 0 HJABRM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccc(Br)s1 ZINC000014221161 560840644 /nfs/dbraw/zinc/84/06/44/560840644.db2.gz WPVYUIJFEVJOIG-UHFFFAOYSA-N -1 0 420.659 4.984 40 0 HJABRM O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000017088783 560863846 /nfs/dbraw/zinc/86/38/46/560863846.db2.gz QWAQYPGQLGNARW-WVGQAWGZSA-N -1 0 411.310 4.802 40 0 HJABRM O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccccc1Br ZINC000017092072 560866774 /nfs/dbraw/zinc/86/67/74/560866774.db2.gz BWJUFIRLIKDUOI-UHFFFAOYSA-N -1 0 420.115 4.588 40 0 HJABRM O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(Br)cc1 ZINC000017092073 560866804 /nfs/dbraw/zinc/86/68/04/560866804.db2.gz DDLOMRNYEJHQRC-UHFFFAOYSA-N -1 0 420.115 4.588 40 0 HJABRM Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000020157822 560881729 /nfs/dbraw/zinc/88/17/29/560881729.db2.gz IZECISKEDZYMCI-UHFFFAOYSA-N -1 0 418.474 4.987 40 0 HJABRM CCc1nc(SC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)[O-])n[nH]1 ZINC000209156522 560890790 /nfs/dbraw/zinc/89/07/90/560890790.db2.gz AAXSXOJFLCAQIK-PTNGSMBKSA-N -1 0 403.548 4.886 40 0 HJABRM C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1 ZINC000222630989 568521527 /nfs/dbraw/zinc/52/15/27/568521527.db2.gz MJPHRICYADKSML-CWVNLOTRSA-N -1 0 405.479 4.629 40 0 HJABRM CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000222938082 568531764 /nfs/dbraw/zinc/53/17/64/568531764.db2.gz MZFGUZSVVCLQBP-RTWAWAEBSA-N -1 0 421.522 4.668 40 0 HJABRM CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000222982560 568533099 /nfs/dbraw/zinc/53/30/99/568533099.db2.gz RLBYFUTVLUVFSA-NHCUHLMSSA-N -1 0 421.522 4.812 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)cc1 ZINC000223962339 568564619 /nfs/dbraw/zinc/56/46/19/568564619.db2.gz JCHOKPQENKUSJC-UHFFFAOYSA-N -1 0 420.962 4.759 40 0 HJABRM CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(I)cc1)C(=O)[O-] ZINC000225067963 568612411 /nfs/dbraw/zinc/61/24/11/568612411.db2.gz FQKGIMPLQUDWCT-KRWDZBQOSA-N -1 0 424.278 4.663 40 0 HJABRM CCc1ccc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000225697644 568665520 /nfs/dbraw/zinc/66/55/20/568665520.db2.gz PFLBQPBSIZUBDQ-SFHVURJKSA-N -1 0 422.550 4.849 40 0 HJABRM Cc1ccc(-n2c(COc3cccc4ccccc43)nnc2S[C@H](C)C(=O)[O-])cc1 ZINC000000924671 568750743 /nfs/dbraw/zinc/75/07/43/568750743.db2.gz KCIBNGRAWKKBRV-MRXNPFEDSA-N -1 0 419.506 4.873 40 0 HJABRM CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(COc2ccccc2Cl)c(C(=O)[O-])s1 ZINC000257272108 568796159 /nfs/dbraw/zinc/79/61/59/568796159.db2.gz NBCIEQRAKDWCOD-CQSZACIVSA-N -1 0 422.934 4.783 40 0 HJABRM O=C([O-])c1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000257283718 568799623 /nfs/dbraw/zinc/79/96/23/568799623.db2.gz OZNRKEAHTGEBQN-UHFFFAOYSA-N -1 0 409.869 4.646 40 0 HJABRM CC(C)CC(=O)N1CCC[C@H]1c1nc(COc2ccccc2Cl)c(C(=O)[O-])s1 ZINC000257303049 568805177 /nfs/dbraw/zinc/80/51/77/568805177.db2.gz SFOOOXIEIGRZEV-HNNXBMFYSA-N -1 0 422.934 4.783 40 0 HJABRM Cc1ccc(Oc2ccccc2C(=O)N(CCc2cccc(C)c2)CC(=O)[O-])cc1 ZINC000257305511 568806150 /nfs/dbraw/zinc/80/61/50/568806150.db2.gz SQIOMXHHIFPABR-UHFFFAOYSA-N -1 0 403.478 4.865 40 0 HJABRM CCCCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257331996 568813578 /nfs/dbraw/zinc/81/35/78/568813578.db2.gz XVGNECLENLNKHS-MRXNPFEDSA-N -1 0 406.935 4.939 40 0 HJABRM O=[P@@]([O-])(O)[C@@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000027987260 568987323 /nfs/dbraw/zinc/98/73/23/568987323.db2.gz SNOZOGKEGACREK-HSZRJFAPSA-N -1 0 419.421 4.505 40 0 HJABRM O=S(=O)([N-]c1cnc(Oc2ccccc2F)nc1)c1cc(Cl)ccc1Cl ZINC000224287142 569056829 /nfs/dbraw/zinc/05/68/29/569056829.db2.gz XTMZKHKVOSVQDQ-UHFFFAOYSA-N -1 0 414.245 4.516 40 0 HJABRM CCn1c(S/C(=C\c2cc(C)n(C)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000211522559 569069992 /nfs/dbraw/zinc/06/99/92/569069992.db2.gz ZIPUJDBRLMBHHV-BOPFTXTBSA-N -1 0 416.934 4.792 40 0 HJABRM CCc1nnc(S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)[O-])o1 ZINC000007365607 569337460 /nfs/dbraw/zinc/33/74/60/569337460.db2.gz MEBSPQUSOAKEQJ-UNOMPAQXSA-N -1 0 405.479 4.853 40 0 HJABRM O=C([O-])/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1nc2ccccc2[nH]1 ZINC000051125212 569352187 /nfs/dbraw/zinc/35/21/87/569352187.db2.gz WNWBWLODCAFGNC-WQRHYEAKSA-N -1 0 407.407 4.949 40 0 HJABRM CCn1c(S/C(=C\c2ccc(F)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000211522230 569356056 /nfs/dbraw/zinc/35/60/56/569356056.db2.gz MUGPATMXNFJEGJ-WJDWOHSUSA-N -1 0 403.866 4.975 40 0 HJABRM Cc1cc(F)ccc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000040710600 524982399 /nfs/dbraw/zinc/98/23/99/524982399.db2.gz JIJRUMUJHWYHLC-QHCPKHFHSA-N -1 0 419.452 4.669 40 0 HJABRM COc1c(Br)cc(Br)cc1CNc1cccc(C(=O)[O-])c1 ZINC000035018461 557259386 /nfs/dbraw/zinc/25/93/86/557259386.db2.gz NSAGCZHFHVYYJB-UHFFFAOYSA-N -1 0 415.081 4.531 40 0 HJABRM Cc1c(Cl)cccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408548162 557370906 /nfs/dbraw/zinc/37/09/06/557370906.db2.gz QAIFLWCGGIZWTC-UHFFFAOYSA-N -1 0 400.887 4.702 40 0 HJABRM CC(C)C(NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)C(C)C ZINC000408549356 557396060 /nfs/dbraw/zinc/39/60/60/557396060.db2.gz YDJWKOJMKASFKS-UHFFFAOYSA-N -1 0 408.951 4.551 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCCCC2)cc1 ZINC000408626276 557558041 /nfs/dbraw/zinc/55/80/41/557558041.db2.gz WAGNKLUWUHSBIH-UHFFFAOYSA-N -1 0 400.544 4.639 40 0 HJABRM Cc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)[O-])o1 ZINC000408632104 557570155 /nfs/dbraw/zinc/57/01/55/557570155.db2.gz VYRBWOMAAGPBRF-MFOYZWKCSA-N -1 0 420.849 4.967 40 0 HJABRM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)no1 ZINC000006133760 557687827 /nfs/dbraw/zinc/68/78/27/557687827.db2.gz DSZCHOSDUNNHMH-UHFFFAOYSA-N -1 0 414.874 4.729 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000006214467 557694430 /nfs/dbraw/zinc/69/44/30/557694430.db2.gz WRIONJCJSPINNC-FQEVSTJZSA-N -1 0 415.898 4.853 40 0 HJABRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2scc(-c3ccccc3)c21 ZINC000006927884 557730647 /nfs/dbraw/zinc/73/06/47/557730647.db2.gz KLNYPDHOFXKIRH-LJQANCHMSA-N -1 0 414.490 4.947 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2Cl)c(C)c1 ZINC000010112561 557855621 /nfs/dbraw/zinc/85/56/21/557855621.db2.gz MQRADDSUEXVCJP-HNNXBMFYSA-N -1 0 420.962 4.630 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2Cl)c(C)c1 ZINC000010112562 557855688 /nfs/dbraw/zinc/85/56/88/557855688.db2.gz MQRADDSUEXVCJP-OAHLLOKOSA-N -1 0 420.962 4.630 40 0 HJABRM Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1N1CCCC1=O ZINC000019933019 558311005 /nfs/dbraw/zinc/31/10/05/558311005.db2.gz JRTGQSQZUIDEOF-UHFFFAOYSA-N -1 0 422.506 4.715 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2Cl)c1C ZINC000020041456 558326157 /nfs/dbraw/zinc/32/61/57/558326157.db2.gz PSAROYZVMMNROJ-UHFFFAOYSA-N -1 0 420.962 4.772 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2Cl)cc1C ZINC000020482186 558375214 /nfs/dbraw/zinc/37/52/14/558375214.db2.gz PCUAKDOPGIWRAZ-UHFFFAOYSA-N -1 0 420.962 4.772 40 0 HJABRM O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1cccc([N-]c2nncs2)n1 ZINC000072375636 558964448 /nfs/dbraw/zinc/96/44/48/558964448.db2.gz BQKIKBIXUATQGL-KRWDZBQOSA-N -1 0 413.934 4.626 40 0 HJABRM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)CCc3ccccc3)c2)cc1 ZINC000147424491 560556346 /nfs/dbraw/zinc/55/63/46/560556346.db2.gz MKQZIABZFSFKJR-LJQANCHMSA-N -1 0 422.550 4.547 40 0 HJABRM CCOc1ccc(Nc2nc(-c3ccc(OC)cc3OC)c(CC(=O)[O-])s2)cc1 ZINC000408880525 560649364 /nfs/dbraw/zinc/64/93/64/560649364.db2.gz KIJHIJQXVWWMSN-UHFFFAOYSA-N -1 0 414.483 4.597 40 0 HJABRM COc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)c1OC ZINC000408994795 560663272 /nfs/dbraw/zinc/66/32/72/560663272.db2.gz JFDPWODHHIQJQK-VJBMBRPKSA-N -1 0 401.462 4.873 40 0 HJABRM CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409060914 560672638 /nfs/dbraw/zinc/67/26/38/560672638.db2.gz AEONEIDATYICTQ-UYRXBGFRSA-N -1 0 411.479 4.800 40 0 HJABRM O=C([O-])c1cccc(-n2cccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1 ZINC000409124202 560680696 /nfs/dbraw/zinc/68/06/96/560680696.db2.gz AHEUGOICARJCOF-CPNJWEJPSA-N -1 0 410.495 4.792 40 0 HJABRM CC1(C)CC(=O)C(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)=C([O-])C1 ZINC000100314916 560724392 /nfs/dbraw/zinc/72/43/92/560724392.db2.gz ASFZBBCXGFWNGI-UHFFFAOYSA-N -1 0 403.507 4.625 40 0 HJABRM CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(=O)[O-])c3)N21 ZINC000222708846 568524297 /nfs/dbraw/zinc/52/42/97/568524297.db2.gz HAXKPWABYPLQIA-ZLGUVYLKSA-N -1 0 418.522 4.550 40 0 HJABRM CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000222938192 568531752 /nfs/dbraw/zinc/53/17/52/568531752.db2.gz MZFGUZSVVCLQBP-NHCUHLMSSA-N -1 0 421.522 4.668 40 0 HJABRM CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000222938014 568531784 /nfs/dbraw/zinc/53/17/84/568531784.db2.gz MZFGUZSVVCLQBP-SFTDATJTSA-N -1 0 421.522 4.668 40 0 HJABRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2cccc(OC)c2)cc1 ZINC000223646646 568554815 /nfs/dbraw/zinc/55/48/15/568554815.db2.gz ZBODSHQXWRKBHP-UHFFFAOYSA-N -1 0 419.886 4.950 40 0 HJABRM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1 ZINC000223842976 568560578 /nfs/dbraw/zinc/56/05/78/568560578.db2.gz UWFVSKQNFJLVBO-UHFFFAOYSA-N -1 0 417.870 4.720 40 0 HJABRM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(Cl)c1Cl ZINC000224866779 568601017 /nfs/dbraw/zinc/60/10/17/568601017.db2.gz IEAAPKUKLMTPQE-UHFFFAOYSA-N -1 0 416.204 4.701 40 0 HJABRM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc(C(=O)[O-])c3)N21 ZINC000260762665 568737822 /nfs/dbraw/zinc/73/78/22/568737822.db2.gz HAXKPWABYPLQIA-CZAAIQMYSA-N -1 0 418.522 4.550 40 0 HJABRM COc1cc(CCc2nc(N3CCC[C@@H]3c3ccccc3)ncc2C(=O)[O-])ccc1C ZINC000257216097 568780843 /nfs/dbraw/zinc/78/08/43/568780843.db2.gz CTBKIOUAKHMTDX-JOCHJYFZSA-N -1 0 417.509 4.619 40 0 HJABRM CCOc1ccccc1-c1cc(-c2cc(CC(=O)[O-])ccc2OC)nn1CC(C)C ZINC000257218435 568781384 /nfs/dbraw/zinc/78/13/84/568781384.db2.gz DDDUEAKKHPNORO-UHFFFAOYSA-N -1 0 408.498 4.908 40 0 HJABRM O=C([O-])c1cc(N2C(=S)N=NC2c2ccc(Cl)cc2Cl)ccc1Cl ZINC000006659224 568936958 /nfs/dbraw/zinc/93/69/58/568936958.db2.gz AYWBGBSLKQCJLB-UHFFFAOYSA-N -1 0 400.674 4.881 40 0 HJABRM CCC(C)(C)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000584577598 569048674 /nfs/dbraw/zinc/04/86/74/569048674.db2.gz MXWBUUMVCICJCZ-FQEVSTJZSA-N -1 0 413.539 4.900 40 0 HJABRM O=C([O-])/C(=C/c1cc(Cl)ccc1O)Sc1nnc(-c2ccc(Cl)cc2)o1 ZINC000007603179 569337732 /nfs/dbraw/zinc/33/77/32/569337732.db2.gz VZQHZWYZJMWCDZ-ZSOIEALJSA-N -1 0 409.250 4.967 40 0 HJABRM Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000008434549 569341118 /nfs/dbraw/zinc/34/11/18/569341118.db2.gz SOWJDVRCDGEJLN-UHFFFAOYSA-N -1 0 408.841 4.851 40 0 HJABRM COc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)[O-])c(OC)c1 ZINC000408881214 571308738 /nfs/dbraw/zinc/30/87/38/571308738.db2.gz KDIUOBOWUSZKSF-UHFFFAOYSA-N -1 0 418.902 5.160 40 0 HJABRM CCOc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408900286 571308936 /nfs/dbraw/zinc/30/89/36/571308936.db2.gz USTYHNDFNVVFRZ-UHFFFAOYSA-N -1 0 402.903 5.541 40 0 HJABRM CCOc1cccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)c1 ZINC000032116554 521326432 /nfs/dbraw/zinc/32/64/32/521326432.db2.gz WWRYPUMGXCUAFL-UHFFFAOYSA-N -1 0 415.081 4.568 40 0 HJABRM Cc1cc(C)nc([N-]c2nc3c4ccccc4nc(-c4ccc(Cl)cc4)n3n2)n1 ZINC000020799770 524595514 /nfs/dbraw/zinc/59/55/14/524595514.db2.gz POTZBELFLKRZMC-UHFFFAOYSA-N -1 0 401.861 4.748 40 0 HJABRM Cc1cc(F)ccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000040710602 524982097 /nfs/dbraw/zinc/98/20/97/524982097.db2.gz JIJRUMUJHWYHLC-HSZRJFAPSA-N -1 0 419.452 4.669 40 0 HJABRM Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000045887783 525823081 /nfs/dbraw/zinc/82/30/81/525823081.db2.gz BEBQJGYCIZTIKW-NSHDSACASA-N -1 0 405.237 4.548 40 0 HJABRM Cc1ccc(C(=O)Nc2cc(Br)ccc2-c2ccc(C(=O)[O-])o2)cc1 ZINC000226356666 526217852 /nfs/dbraw/zinc/21/78/52/526217852.db2.gz YURGSHLXGBVRFG-UHFFFAOYSA-N -1 0 400.228 4.968 40 0 HJABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2)ccc1Cl ZINC000408546555 557369651 /nfs/dbraw/zinc/36/96/51/557369651.db2.gz UJBBCFVAXXVOHF-UHFFFAOYSA-N -1 0 418.877 4.841 40 0 HJABRM CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000408547205 557369999 /nfs/dbraw/zinc/36/99/99/557369999.db2.gz WYRJCCYOOHIWDY-OAHLLOKOSA-N -1 0 408.951 4.676 40 0 HJABRM O=C([O-])/C(=C/c1cccc(I)c1)Sc1nc2ccccc2o1 ZINC000408634368 557604908 /nfs/dbraw/zinc/60/49/08/557604908.db2.gz QEOBUKIARCTKIS-ZROIWOOFSA-N -1 0 423.231 4.650 40 0 HJABRM O=S(=O)([N-]c1cc(-c2ccc(Cl)cc2)[nH]n1)c1cc(Cl)ccc1Cl ZINC000408713196 557742304 /nfs/dbraw/zinc/74/23/04/557742304.db2.gz NRLAQAFTPBHODH-UHFFFAOYSA-N -1 0 402.690 4.838 40 0 HJABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cc(Br)ccc1Cl ZINC000020138466 558338273 /nfs/dbraw/zinc/33/82/73/558338273.db2.gz RZSOGSZZLZFLAR-UHFFFAOYSA-N -1 0 419.058 4.715 40 0 HJABRM Cc1cc(OCC(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc(C)c1Cl ZINC000020144321 558339716 /nfs/dbraw/zinc/33/97/16/558339716.db2.gz MLNLHLYAXFEJNP-UHFFFAOYSA-N -1 0 402.661 4.979 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000020462484 558373532 /nfs/dbraw/zinc/37/35/32/558373532.db2.gz WWVYYYWBCPEUER-LJQANCHMSA-N -1 0 422.550 4.904 40 0 HJABRM O=C(Nc1cccc2ccccc21)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013680303 558566174 /nfs/dbraw/zinc/56/61/74/558566174.db2.gz YKNDZBFEHXZYRJ-UHFFFAOYSA-N -1 0 408.504 4.954 40 0 HJABRM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000013757852 558865661 /nfs/dbraw/zinc/86/56/61/558865661.db2.gz ZWVOJGSNYJKDCJ-AWDZXFJFSA-N -1 0 406.526 4.890 40 0 HJABRM O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1cccc([N-]c2nncs2)n1 ZINC000072375635 558964435 /nfs/dbraw/zinc/96/44/35/558964435.db2.gz BQKIKBIXUATQGL-QGZVFWFLSA-N -1 0 413.934 4.626 40 0 HJABRM O=c1c([C@H](O)c2c(Cl)cccc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100355199 559134420 /nfs/dbraw/zinc/13/44/20/559134420.db2.gz FFQYGZXPGZSGTG-UONOGXRCSA-N -1 0 403.187 4.608 40 0 HJABRM CCO[P@](=O)([O-])[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000118931822 559206319 /nfs/dbraw/zinc/20/63/19/559206319.db2.gz YTHYJGZYFUJIFJ-RHCGTSLQSA-N -1 0 424.518 4.716 40 0 HJABRM O=C([O-])c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000226325004 559273274 /nfs/dbraw/zinc/27/32/74/559273274.db2.gz VIRIGRBSKKDVAG-UHFFFAOYSA-N -1 0 404.203 4.722 40 0 HJABRM CCCn1cc(CCC(=O)N(CCCc2ccccc2)CC(=O)[O-])c2ccccc21 ZINC000257261051 559284774 /nfs/dbraw/zinc/28/47/74/559284774.db2.gz LFNGNIVORUVDCQ-UHFFFAOYSA-N -1 0 406.526 4.530 40 0 HJABRM CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006023961 560739324 /nfs/dbraw/zinc/73/93/24/560739324.db2.gz PBLPKUVZCCAZBM-UHFFFAOYSA-N -1 0 408.523 4.919 40 0 HJABRM O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1Cl ZINC000017091756 560866470 /nfs/dbraw/zinc/86/64/70/560866470.db2.gz JRXZEFMRIFKVRW-UHFFFAOYSA-N -1 0 419.289 4.972 40 0 HJABRM CCC[C@H](CC(=O)[O-])c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@H](C)[C@H](C)C2=O ZINC000106939148 560894784 /nfs/dbraw/zinc/89/47/84/560894784.db2.gz UDVTWMLZUGXNQM-RRFJBIMHSA-N -1 0 404.503 4.868 40 0 biogenic,in-vitro HJABRM CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000222982890 568533124 /nfs/dbraw/zinc/53/31/24/568533124.db2.gz BIOWIDHXWLHJPV-SFTDATJTSA-N -1 0 421.522 4.812 40 0 HJABRM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1 ZINC000223840327 568560469 /nfs/dbraw/zinc/56/04/69/568560469.db2.gz LQIRQTVUXAGCFV-UHFFFAOYSA-N -1 0 417.870 4.720 40 0 HJABRM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1C ZINC000223998734 568565726 /nfs/dbraw/zinc/56/57/26/568565726.db2.gz CNSCEPKBTPHKPS-IBGZPJMESA-N -1 0 414.552 4.738 40 0 HJABRM CCc1ccc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000225697618 568665544 /nfs/dbraw/zinc/66/55/44/568665544.db2.gz PFLBQPBSIZUBDQ-GOSISDBHSA-N -1 0 422.550 4.849 40 0 HJABRM COc1ccc(CN(CC(=O)[O-])C(=O)c2ccccc2Oc2ccc(C)cc2)cc1 ZINC000257224276 568783267 /nfs/dbraw/zinc/78/32/67/568783267.db2.gz FBBVPEVDRFUKGS-UHFFFAOYSA-N -1 0 405.450 4.523 40 0 HJABRM O=C([O-])c1cccc(Cl)c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000257232162 568785336 /nfs/dbraw/zinc/78/53/36/568785336.db2.gz GJRGPLJKYVRBLZ-UHFFFAOYSA-N -1 0 409.869 4.646 40 0 HJABRM CC1(C)[C@@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[C@]1(C)C(=O)[O-] ZINC000006829068 568937015 /nfs/dbraw/zinc/93/70/15/568937015.db2.gz MHORALJDMGGTAR-BMLIUANNSA-N -1 0 416.421 4.661 40 0 HJABRM O=C([O-])C[C@@H](O)C[C@H](O)/C=C\c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000051943593 569048740 /nfs/dbraw/zinc/04/87/40/569048740.db2.gz VGYFMXBACGZSIL-JQDPHBCOSA-N -1 0 421.468 4.518 40 0 HJABRM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000085342822 569271116 /nfs/dbraw/zinc/27/11/16/569271116.db2.gz VCSAOLLSMSVKSZ-UHFFFAOYSA-N -1 0 419.289 4.972 40 0 HJABRM CCc1nc(SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)[O-])n[nH]1 ZINC000007342422 569336983 /nfs/dbraw/zinc/33/69/83/569336983.db2.gz YUPIXWADSNEQGY-BOPFTXTBSA-N -1 0 415.902 4.817 40 0 HJABRM CCc1nc(SC(=Cc2ccccc2OCc2cccc(Cl)c2)C(=O)[O-])n[nH]1 ZINC000007342546 569337129 /nfs/dbraw/zinc/33/71/29/569337129.db2.gz YMNISRLDLBGGPJ-BOPFTXTBSA-N -1 0 415.902 4.817 40 0 HJABRM CCc1nnc(S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)[O-])o1 ZINC000007508298 569337683 /nfs/dbraw/zinc/33/76/83/569337683.db2.gz SIUVZJWUQYZXHM-BOPFTXTBSA-N -1 0 400.431 4.568 40 0 HJABRM C=CCOc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1 ZINC000007603261 569337734 /nfs/dbraw/zinc/33/77/34/569337734.db2.gz PBAVJSDHMZXYFS-ATVHPVEESA-N -1 0 413.886 4.908 40 0 HJABRM C=CCOc1ccccc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000007603265 569337768 /nfs/dbraw/zinc/33/77/68/569337768.db2.gz JMIKRMKYEKXSQA-ATVHPVEESA-N -1 0 413.886 4.908 40 0 HJABRM Cc1nnc(S/C(=C\c2ccccc2OCc2cccc(Cl)c2)C(=O)[O-])o1 ZINC000007603754 569337791 /nfs/dbraw/zinc/33/77/91/569337791.db2.gz NWXBLTRPUHCZKZ-YVLHZVERSA-N -1 0 402.859 4.828 40 0 HJABRM COc1ccc(-c2nc(Nc3cccc4ccccc43)sc2CC(=O)[O-])c(OC)c1 ZINC000408890713 571308716 /nfs/dbraw/zinc/30/87/16/571308716.db2.gz YARTZSVMKUFUQL-UHFFFAOYSA-N -1 0 420.490 5.351 40 0 HJABRM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000044883637 525913358 /nfs/dbraw/zinc/91/33/58/525913358.db2.gz RREMJXVCBBCCGI-INIZCTEOSA-N -1 0 414.552 4.657 40 0 HJABRM CC(C)(C)C(=O)[C@@H](Oc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000001081427 557175723 /nfs/dbraw/zinc/17/57/23/557175723.db2.gz SJDRWLQBNZCZBG-MRXNPFEDSA-N -1 0 424.280 4.693 40 0 HJABRM CC(C)(C)OC[C@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560034 557356286 /nfs/dbraw/zinc/35/62/86/557356286.db2.gz SJNATOMDTSYGQF-INIZCTEOSA-N -1 0 411.498 4.574 40 0 HJABRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccccc1Cl ZINC000003076678 557445057 /nfs/dbraw/zinc/44/50/57/557445057.db2.gz JIJBJFIYBIXXLL-UHFFFAOYSA-N -1 0 405.473 4.823 40 0 HJABRM O=C([O-])[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004070902 557509628 /nfs/dbraw/zinc/50/96/28/557509628.db2.gz OTCJPZJTUKWAFA-DHUDBDOYSA-N -1 0 403.522 4.604 40 0 HJABRM COc1cccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c1OC ZINC000408634381 557604901 /nfs/dbraw/zinc/60/49/01/557604901.db2.gz QLVQMBVZIQMSKG-GDNBJRDFSA-N -1 0 418.858 4.625 40 0 HJABRM O=C(Nc1cccc(C(F)(F)F)c1)C(=S)NCCNc1cccc2ccccc21 ZINC000005590282 557663601 /nfs/dbraw/zinc/66/36/01/557663601.db2.gz BNFHTBJBNPJJQV-UHFFFAOYSA-N -1 0 417.456 4.826 40 0 HJABRM CC(C)COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000005976972 557683204 /nfs/dbraw/zinc/68/32/04/557683204.db2.gz OEFFZRXRAHGKSG-UHFFFAOYSA-N -1 0 413.326 4.861 40 0 HJABRM Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000035897680 557829442 /nfs/dbraw/zinc/82/94/42/557829442.db2.gz ZYJKAIFSLASNEB-QPNXVFALSA-N -1 0 423.321 4.887 40 0 HJABRM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000020139825 558338479 /nfs/dbraw/zinc/33/84/79/558338479.db2.gz OEWCFEQQNCUIAO-UHFFFAOYSA-N -1 0 400.228 4.589 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2Cl)c(C)c1 ZINC000020494121 558379550 /nfs/dbraw/zinc/37/95/50/558379550.db2.gz YSRZCFIZLHIBLR-UHFFFAOYSA-N -1 0 420.962 4.772 40 0 HJABRM COc1cc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c(OC)cc1Cl ZINC000013677174 558564891 /nfs/dbraw/zinc/56/48/91/558564891.db2.gz YZOGUYYGPGCZIL-UHFFFAOYSA-N -1 0 410.706 4.606 40 0 HJABRM CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])COC23CCC(C(C)(C)C)CC3)cc1 ZINC000071980474 558917194 /nfs/dbraw/zinc/91/71/94/558917194.db2.gz CQTANHAWAGLBCR-SZTYLXMGSA-N -1 0 401.547 4.842 40 0 HJABRM CCc1ccc(C[C@]2(C)Cc3cc(C(=O)N(CCC(C)C)CC(=O)[O-])ccc3O2)cc1 ZINC000585267514 559112941 /nfs/dbraw/zinc/11/29/41/559112941.db2.gz OYUTVDOJGSDDQH-AREMUKBSSA-N -1 0 423.553 4.758 40 0 HJABRM Cc1ccc(-n2c(COc3cccc4ccccc43)nnc2SCCC(=O)[O-])cc1 ZINC000000924672 560556649 /nfs/dbraw/zinc/55/66/49/560556649.db2.gz VZJUMZQNXNOYJG-UHFFFAOYSA-N -1 0 419.506 4.875 40 0 HJABRM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc3ccccc3c2)sc2c1CCCC2 ZINC000002454883 560731097 /nfs/dbraw/zinc/73/10/97/560731097.db2.gz HOSJNBAUCXSAAF-UHFFFAOYSA-N -1 0 415.536 4.758 40 0 HJABRM O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000016477684 560860973 /nfs/dbraw/zinc/86/09/73/560860973.db2.gz VVTCTDMOYXAQEL-UHFFFAOYSA-N -1 0 424.909 4.683 40 0 HJABRM Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(OCC(=O)[O-])c2)c1 ZINC000020158209 560881811 /nfs/dbraw/zinc/88/18/11/560881811.db2.gz NSUJGCMYGWFDPN-UHFFFAOYSA-N -1 0 402.406 4.519 40 0 HJABRM Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(OCC(=O)[O-])c1 ZINC000020158264 560881841 /nfs/dbraw/zinc/88/18/41/560881841.db2.gz UBAHCDGGDKRANW-UHFFFAOYSA-N -1 0 418.474 4.987 40 0 HJABRM COc1ccc(N(CC(=O)N(c2ccccc2)C(C)C)c2n[n-]c(=S)s2)cc1 ZINC000006858921 568462219 /nfs/dbraw/zinc/46/22/19/568462219.db2.gz OTRTYGDIWHIVQY-UHFFFAOYSA-N -1 0 414.556 4.789 40 0 HJABRM C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1 ZINC000222631127 568521530 /nfs/dbraw/zinc/52/15/30/568521530.db2.gz MJPHRICYADKSML-GBLZOACLSA-N -1 0 405.479 4.629 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222850547 568528360 /nfs/dbraw/zinc/52/83/60/568528360.db2.gz GAWKFDYRGULRAY-RTWAWAEBSA-N -1 0 421.522 4.729 40 0 HJABRM CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC000222896121 568529979 /nfs/dbraw/zinc/52/99/79/568529979.db2.gz VYTBMNKKJHYXCJ-SFTDATJTSA-N -1 0 421.522 4.731 40 0 HJABRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1Cl ZINC000223833191 568560216 /nfs/dbraw/zinc/56/02/16/568560216.db2.gz NYCZIUSVQOGLOK-UHFFFAOYSA-N -1 0 417.870 4.720 40 0 HJABRM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1C ZINC000223998681 568565820 /nfs/dbraw/zinc/56/58/20/568565820.db2.gz CNSCEPKBTPHKPS-LJQANCHMSA-N -1 0 414.552 4.738 40 0 HJABRM CCOc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)[O-])cc1OCC ZINC000095097225 568595637 /nfs/dbraw/zinc/59/56/37/568595637.db2.gz DUTTYJGWWXCHOJ-UHFFFAOYSA-N -1 0 404.532 4.615 40 0 HJABRM Cc1ccc(-c2nnc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)s2)cc1 ZINC000224799454 568597124 /nfs/dbraw/zinc/59/71/24/568597124.db2.gz LZHASQYKYRQTGO-UHFFFAOYSA-N -1 0 414.339 4.762 40 0 HJABRM O=S(=O)(Cc1c(F)cccc1Cl)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000225074555 568612696 /nfs/dbraw/zinc/61/26/96/568612696.db2.gz MVAQGABCKPZUSR-UHFFFAOYSA-N -1 0 418.302 4.593 40 0 HJABRM O=C([O-])c1cnc(N2CCCC[C@@H]2Cc2ccccc2)nc1CCc1cccc(F)c1 ZINC000257339160 568815752 /nfs/dbraw/zinc/81/57/52/568815752.db2.gz ZAKZAAQGQSWDEF-OAQYLSRUSA-N -1 0 419.500 4.701 40 0 HJABRM Cc1n[nH]c(SC(=Cc2ccccc2OCc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000006588341 569333664 /nfs/dbraw/zinc/33/36/64/569333664.db2.gz YYDXSNYNNFMGFA-YVLHZVERSA-N -1 0 401.875 4.563 40 0 HJABRM Cc1cccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)S2)c1C ZINC000006967870 569336650 /nfs/dbraw/zinc/33/66/50/569336650.db2.gz BNCZTPUZYYMELB-MOSHPQCFSA-N -1 0 417.490 4.684 40 0 HJABRM O=C([O-])/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2o1 ZINC000007365521 569337504 /nfs/dbraw/zinc/33/75/04/569337504.db2.gz RCDHYGQKARQKKK-PDGQHHTCSA-N -1 0 407.407 4.745 40 0 HJABRM CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OCc1ccccc1 ZINC000007603553 569337792 /nfs/dbraw/zinc/33/77/92/569337792.db2.gz LRHCTFLHDBRHJS-UNOMPAQXSA-N -1 0 412.467 4.574 40 0 HJABRM COc1cccc2c(/C=C(\Sc3nnc(C)o3)C(=O)[O-])c(-c3ccccc3)[nH]c21 ZINC000007603658 569337844 /nfs/dbraw/zinc/33/78/44/569337844.db2.gz NLYFMVUKZWMSLE-BOPFTXTBSA-N -1 0 407.451 4.753 40 0 HJABRM COc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408891530 571308762 /nfs/dbraw/zinc/30/87/62/571308762.db2.gz RZMMQADLDHORSV-UHFFFAOYSA-N -1 0 409.294 5.496 40 0 HJABRM O=C([O-])COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008703679 132332230 /nfs/dbraw/zinc/33/22/30/132332230.db2.gz PBZJHKSHWSOJNO-OAQYLSRUSA-N -1 0 408.841 4.575 40 0 HJABRM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(Br)cc1 ZINC000032118771 527459320 /nfs/dbraw/zinc/45/93/20/527459320.db2.gz FRRYYZSEQKLIKF-UHFFFAOYSA-N -1 0 420.115 4.588 40 0 HJABRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002386986 557343233 /nfs/dbraw/zinc/34/32/33/557343233.db2.gz GXOCWIPOYXOZAF-HSZRJFAPSA-N -1 0 417.461 4.750 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)c1 ZINC000408543515 557360777 /nfs/dbraw/zinc/36/07/77/557360777.db2.gz DYHHUCCPPKZHDZ-UHFFFAOYSA-N -1 0 408.951 4.534 40 0 HJABRM COc1cccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])c1 ZINC000408634139 557596181 /nfs/dbraw/zinc/59/61/81/557596181.db2.gz RLBOKZCDTSFRKY-SXGWCWSVSA-N -1 0 418.858 4.625 40 0 HJABRM CCOc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)c(CC(=O)[O-])s2)cc1 ZINC000005023185 557627009 /nfs/dbraw/zinc/62/70/09/557627009.db2.gz JLZANXDMTUWODA-UHFFFAOYSA-N -1 0 414.483 4.597 40 0 HJABRM COc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000408668845 557654015 /nfs/dbraw/zinc/65/40/15/557654015.db2.gz FNAGSGZUNQDQLN-UHFFFAOYSA-N -1 0 424.840 4.551 40 0 HJABRM O=C([O-])/C(=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)c1ccccc1 ZINC000019721414 558259289 /nfs/dbraw/zinc/25/92/89/558259289.db2.gz MWPBMZUYUCZXPZ-ZSOIEALJSA-N -1 0 403.278 4.580 40 0 HJABRM CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020107334 558333920 /nfs/dbraw/zinc/33/39/20/558333920.db2.gz YGZBGJITPJYYSI-UHFFFAOYSA-N -1 0 424.522 4.810 40 0 HJABRM CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000020144775 558339912 /nfs/dbraw/zinc/33/99/12/558339912.db2.gz AALMNBVAKMJPCY-UHFFFAOYSA-N -1 0 412.667 4.597 40 0 HJABRM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013752266 558864246 /nfs/dbraw/zinc/86/42/46/558864246.db2.gz NJBXYNKCLWDUAR-AWDZXFJFSA-N -1 0 406.526 4.890 40 0 HJABRM O=C([O-])[C@@H]1CC(=O)N(c2ccc3nc(-c4cccc5c(Cl)cccc45)oc3c2)C1 ZINC000070461308 558892116 /nfs/dbraw/zinc/89/21/16/558892116.db2.gz XNMLCIGNJHHXJP-GFCCVEGCSA-N -1 0 406.825 4.739 40 0 HJABRM CCO[P@](=O)([O-])[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000118931820 559206321 /nfs/dbraw/zinc/20/63/21/559206321.db2.gz YTHYJGZYFUJIFJ-XKMUXQCMSA-N -1 0 424.518 4.716 40 0 HJABRM O=C([O-])c1cc(Br)cc(Br)c1-c1cc2ccccc2oc1=O ZINC000226357530 559273617 /nfs/dbraw/zinc/27/36/17/559273617.db2.gz XVNKGSMKKYVSGR-UHFFFAOYSA-N -1 0 424.044 4.683 40 0 HJABRM O=C([O-])c1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)o1 ZINC000226353335 559273629 /nfs/dbraw/zinc/27/36/29/559273629.db2.gz JBZPKZLSYCNZJI-UHFFFAOYSA-N -1 0 412.250 4.752 40 0 HJABRM COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1OC ZINC000408999038 560663480 /nfs/dbraw/zinc/66/34/80/560663480.db2.gz RESLALLENNWDEN-IGKWTDBASA-N -1 0 401.462 4.873 40 0 HJABRM Cc1nnc(SC(=Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)[O-])[nH]1 ZINC000409195483 560690252 /nfs/dbraw/zinc/69/02/52/560690252.db2.gz VNZSCBWMPLIBNF-GRSHGNNSSA-N -1 0 424.913 4.987 40 0 HJABRM COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)c2n[n-]c(=S)s2)cc1 ZINC000008410843 568500344 /nfs/dbraw/zinc/50/03/44/568500344.db2.gz VYKYIULPIHQGOT-UHFFFAOYSA-N -1 0 400.529 4.603 40 0 HJABRM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(=O)[O-])c3)N21 ZINC000222708786 568524268 /nfs/dbraw/zinc/52/42/68/568524268.db2.gz HAXKPWABYPLQIA-MAODMQOUSA-N -1 0 418.522 4.550 40 0 HJABRM Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)c3cccc(Cl)c3C)cc2c1C(C)C ZINC000257262839 568793697 /nfs/dbraw/zinc/79/36/97/568793697.db2.gz LNCVPUVGUGGEAA-UHFFFAOYSA-N -1 0 404.919 4.680 40 0 HJABRM Cc1ccc(Oc2ccccc2C(=O)N(CCCc2ccccc2)CC(=O)[O-])cc1 ZINC000257262705 568793715 /nfs/dbraw/zinc/79/37/15/568793715.db2.gz LMMNOIRHZZYHTL-UHFFFAOYSA-N -1 0 403.478 4.947 40 0 HJABRM O=C(CCn1c(-c2ccccc2)cc2ccccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000101591750 569014248 /nfs/dbraw/zinc/01/42/48/569014248.db2.gz HUIALZQIOPPUPQ-PUZFROQSSA-N -1 0 404.510 4.706 40 0 HJABRM CC(C)(Oc1ccc(Br)cc1)C(=O)n1cc(C(=O)[O-])c2ccccc21 ZINC000216933993 569029458 /nfs/dbraw/zinc/02/94/58/569029458.db2.gz NBBHNEILUVDNCL-UHFFFAOYSA-N -1 0 402.244 4.600 40 0 HJABRM C[C@@](Cc1cccc(F)c1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000231687063 569288783 /nfs/dbraw/zinc/28/87/83/569288783.db2.gz YEBXKZJYYWUHHK-VWLOTQADSA-N -1 0 419.452 4.750 40 0 HJABRM CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])o1 ZINC000007342682 569337082 /nfs/dbraw/zinc/33/70/82/569337082.db2.gz ZPTYTNOEPSLTFL-YBEGLDIGSA-N -1 0 403.891 4.911 40 0 HJABRM CCc1nc(SC(=Cc2ccc(OCc3cccc(Cl)c3)cc2)C(=O)[O-])n[nH]1 ZINC000007342558 569337123 /nfs/dbraw/zinc/33/71/23/569337123.db2.gz PHFSBXHAKQHRFB-BOPFTXTBSA-N -1 0 415.902 4.817 40 0 HJABRM Cc1nnc(S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)[O-])o1 ZINC000007365722 569337488 /nfs/dbraw/zinc/33/74/88/569337488.db2.gz QYLSKSPSRYTKQU-GRSHGNNSSA-N -1 0 409.442 4.738 40 0 HJABRM CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc(Cl)c1OC ZINC000050547850 569352197 /nfs/dbraw/zinc/35/21/97/569352197.db2.gz XSBUCQWKMCRNDH-YBEGLDIGSA-N -1 0 404.875 4.841 40 0 HJABRM COc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408893307 571308714 /nfs/dbraw/zinc/30/87/14/571308714.db2.gz DQUYPRUPHOIDPA-UHFFFAOYSA-N -1 0 409.294 5.496 40 0 HJABRM CCOc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1 ZINC000032116538 520917397 /nfs/dbraw/zinc/91/73/97/520917397.db2.gz IQYKSQSLWUSSRN-UHFFFAOYSA-N -1 0 415.081 4.568 40 0 HJABRM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C(C)C)ccc3OC)ccc2s1 ZINC000020030042 521916888 /nfs/dbraw/zinc/91/68/88/521916888.db2.gz DGOLJTZMDJBNJA-UHFFFAOYSA-N -1 0 419.524 4.621 40 0 HJABRM O=C([O-])[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004070901 557509693 /nfs/dbraw/zinc/50/96/93/557509693.db2.gz OTCJPZJTUKWAFA-MHLWUJJFSA-N -1 0 403.522 4.604 40 0 HJABRM COc1ccccc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)[O-] ZINC000408633423 557586266 /nfs/dbraw/zinc/58/62/66/557586266.db2.gz MWTPEPKMKQBDMS-SXGWCWSVSA-N -1 0 418.858 4.625 40 0 HJABRM CCCCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OC ZINC000035387654 557704943 /nfs/dbraw/zinc/70/49/43/557704943.db2.gz DPPPZOCFILJHPY-LGMDPLHJSA-N -1 0 410.495 4.546 40 0 HJABRM COc1ccc(NC(=O)c2cnc([N-]c3nc(-c4ccccc4)cs3)nc2C)cc1 ZINC000019819565 558289992 /nfs/dbraw/zinc/28/99/92/558289992.db2.gz IEAMCQBNXQZBDN-UHFFFAOYSA-N -1 0 417.494 4.913 40 0 HJABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1Cl ZINC000020107410 558333846 /nfs/dbraw/zinc/33/38/46/558333846.db2.gz DLFCPWXDPYOQQD-UHFFFAOYSA-N -1 0 420.962 4.854 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020139819 558338467 /nfs/dbraw/zinc/33/84/67/558338467.db2.gz PWDYNXGFZPGBAG-UHFFFAOYSA-N -1 0 400.228 4.968 40 0 HJABRM CC(C)(C)O[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000000643279 558828809 /nfs/dbraw/zinc/82/88/09/558828809.db2.gz OHWTZEARHIOFMA-IRXDYDNUSA-N -1 0 423.509 4.668 40 0 HJABRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cc(I)ccc2n1 ZINC000078401649 559012331 /nfs/dbraw/zinc/01/23/31/559012331.db2.gz MJAITFNSDCLOCN-UHFFFAOYSA-N -1 0 404.207 4.590 40 0 HJABRM O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCc1ccccc1 ZINC000585266509 559112735 /nfs/dbraw/zinc/11/27/35/559112735.db2.gz BCYZRTFJILVTIC-OAQYLSRUSA-N -1 0 407.901 4.955 40 0 HJABRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2 ZINC000585267642 559112924 /nfs/dbraw/zinc/11/29/24/559112924.db2.gz RDDUQZGGHWCRTG-SANMLTNESA-N -1 0 423.553 4.929 40 0 HJABRM C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@H]1CCC(=O)[O-] ZINC000118936255 559206589 /nfs/dbraw/zinc/20/65/89/559206589.db2.gz WEBIGGMMPNOWDP-BVAMESEYSA-N -1 0 404.591 4.884 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)cc1C ZINC000006681739 560632336 /nfs/dbraw/zinc/63/23/36/560632336.db2.gz OMWWBABVTYMCCH-UHFFFAOYSA-N -1 0 400.525 4.726 40 0 HJABRM Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cs1 ZINC000006681750 560632477 /nfs/dbraw/zinc/63/24/77/560632477.db2.gz SYRMKUBXOWIZFO-UHFFFAOYSA-N -1 0 406.916 4.763 40 0 HJABRM CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(C(=O)[O-])c1 ZINC000409385868 560719717 /nfs/dbraw/zinc/71/97/17/560719717.db2.gz NQHIDWDXYHTHLW-UHFFFAOYSA-N -1 0 403.891 4.521 40 0 HJABRM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102726149 560731568 /nfs/dbraw/zinc/73/15/68/560731568.db2.gz NJBXYNKCLWDUAR-TWHAJKEOSA-N -1 0 406.526 4.890 40 0 HJABRM Cc1oc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1COc1ccc2oc3ccccc3c2c1 ZINC000005126755 560737010 /nfs/dbraw/zinc/73/70/10/560737010.db2.gz PJYHODZLPSZAGQ-LJQANCHMSA-N -1 0 419.433 4.756 40 0 HJABRM O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000014155674 560840172 /nfs/dbraw/zinc/84/01/72/560840172.db2.gz CBJKHVXNBCVYRB-UHFFFAOYSA-N -1 0 420.412 4.759 40 0 HJABRM C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1 ZINC000222631057 568521534 /nfs/dbraw/zinc/52/15/34/568521534.db2.gz MJPHRICYADKSML-MRFFXTKBSA-N -1 0 405.479 4.629 40 0 HJABRM CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000222982937 568533096 /nfs/dbraw/zinc/53/30/96/568533096.db2.gz BIOWIDHXWLHJPV-RTWAWAEBSA-N -1 0 421.522 4.812 40 0 HJABRM CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000222982638 568533121 /nfs/dbraw/zinc/53/31/21/568533121.db2.gz PHFKAPISPWWXGB-SFTDATJTSA-N -1 0 421.522 4.812 40 0 HJABRM CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000222982498 568533155 /nfs/dbraw/zinc/53/31/55/568533155.db2.gz RLBYFUTVLUVFSA-LEWJYISDSA-N -1 0 421.522 4.812 40 0 HJABRM CC(C)CSc1nnc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000223870673 568561407 /nfs/dbraw/zinc/56/14/07/568561407.db2.gz UWQKAOKBNFDMGS-UHFFFAOYSA-N -1 0 412.389 4.535 40 0 HJABRM O=S(=O)([N-]c1nnc(SCc2ccccc2)s1)c1ccc2ccccc2c1 ZINC000224771028 568596099 /nfs/dbraw/zinc/59/60/99/568596099.db2.gz XHDPARABAPEVNT-UHFFFAOYSA-N -1 0 413.549 4.784 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2Cl)c1C ZINC000225200753 568622215 /nfs/dbraw/zinc/62/22/15/568622215.db2.gz FUDZKSQJGLLUOY-OAHLLOKOSA-N -1 0 408.951 4.532 40 0 HJABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000225270349 568627127 /nfs/dbraw/zinc/62/71/27/568627127.db2.gz MGMWMHODTDUAEH-UHFFFAOYSA-N -1 0 413.886 4.693 40 0 HJABRM Cc1ccc2[nH]c(C(=O)N(CCc3ccccc3)CC(=O)[O-])c(-c3ccccc3)c2c1 ZINC000257225464 568783579 /nfs/dbraw/zinc/78/35/79/568783579.db2.gz FGHQZPNLYUOGSD-UHFFFAOYSA-N -1 0 412.489 4.913 40 0 HJABRM Cc1ccc(Oc2ccccc2C(=O)N(CCc2cccc(F)c2)CC(=O)[O-])cc1 ZINC000257273685 568796769 /nfs/dbraw/zinc/79/67/69/568796769.db2.gz NHSAENWKKZBNNN-UHFFFAOYSA-N -1 0 407.441 4.696 40 0 HJABRM O=C([O-])c1ccc(-c2ccc(CN3CCCC[C@H]3c3nc4ccccc4[nH]3)o2)cc1O ZINC000257304315 568805595 /nfs/dbraw/zinc/80/55/95/568805595.db2.gz SLAGOFNPLGHBPZ-FQEVSTJZSA-N -1 0 417.465 4.954 40 0 HJABRM O=C([O-])c1cnc(N2CCCC[C@H]2Cc2ccccc2)nc1CCc1cccc(F)c1 ZINC000257339159 568815811 /nfs/dbraw/zinc/81/58/11/568815811.db2.gz ZAKZAAQGQSWDEF-NRFANRHFSA-N -1 0 419.500 4.701 40 0 HJABRM O=C([O-])c1ccc(-n2c(-c3ccccc3)cs/c2=N\C(=O)c2ccccc2)cc1 ZINC000005572317 568961225 /nfs/dbraw/zinc/96/12/25/568961225.db2.gz LEXQBIPKFCMISJ-VHXPQNKSSA-N -1 0 400.459 4.645 40 0 HJABRM C[C@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000034212926 569290520 /nfs/dbraw/zinc/29/05/20/569290520.db2.gz ORQZAESELNKXTJ-JXFKEZNVSA-N -1 0 413.514 4.972 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2Cl)cc1 ZINC000005249544 569328509 /nfs/dbraw/zinc/32/85/09/569328509.db2.gz QQKRWCQSPPUICO-UHFFFAOYSA-N -1 0 400.887 4.702 40 0 HJABRM CCc1ccc(N2C(=O)C(=Cc3cccn3-c3ccccc3F)C(=O)[N-]C2=S)cc1 ZINC000034888045 569351577 /nfs/dbraw/zinc/35/15/77/569351577.db2.gz HJDNLCOOEDHYNB-NBVRZTHBSA-N -1 0 419.481 4.850 40 0 HJABRM CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000408545300 557364172 /nfs/dbraw/zinc/36/41/72/557364172.db2.gz KCCHUNLURPRRBP-UHFFFAOYSA-N -1 0 408.951 4.678 40 0 HJABRM Cc1ccc(NC(=O)COc2ccc(CNc3cccc(C(=O)[O-])c3)cc2)cc1Cl ZINC000408605368 557517704 /nfs/dbraw/zinc/51/77/04/557517704.db2.gz GTAAYCICTCEVAB-UHFFFAOYSA-N -1 0 424.884 4.976 40 0 HJABRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OC(C)C ZINC000408607207 557519070 /nfs/dbraw/zinc/51/90/70/557519070.db2.gz IZESGXSORDYUCB-UHFFFAOYSA-N -1 0 408.292 4.945 40 0 HJABRM CCCOc1c(Br)cc(CNc2cccc(C(=O)[O-])c2)cc1OCC ZINC000408608453 557531974 /nfs/dbraw/zinc/53/19/74/557531974.db2.gz LQJBBTUNQSIHIH-UHFFFAOYSA-N -1 0 408.292 4.947 40 0 HJABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000408614010 557537998 /nfs/dbraw/zinc/53/79/98/557537998.db2.gz XHLZFPDYMIFDRI-UHFFFAOYSA-N -1 0 403.887 4.728 40 0 HJABRM O=C(NC1CCCCCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408620180 557545303 /nfs/dbraw/zinc/54/53/03/557545303.db2.gz NFVYSCNJDLATMI-UHFFFAOYSA-N -1 0 420.962 4.984 40 0 HJABRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1OCC ZINC000408681499 557686947 /nfs/dbraw/zinc/68/69/47/557686947.db2.gz WWBRWFBRQVKKAW-UHFFFAOYSA-N -1 0 423.840 4.957 40 0 HJABRM COc1ccc(C(=O)[O-])cc1NC(=O)c1cccc2c(Br)cccc12 ZINC000020139040 558338149 /nfs/dbraw/zinc/33/81/49/558338149.db2.gz VCDKGSKSGMILIM-UHFFFAOYSA-N -1 0 400.228 4.561 40 0 HJABRM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020139811 558338463 /nfs/dbraw/zinc/33/84/63/558338463.db2.gz SFLDHGNRHBWQRQ-UHFFFAOYSA-N -1 0 416.227 4.668 40 0 HJABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000020144990 558339927 /nfs/dbraw/zinc/33/99/27/558339927.db2.gz CCPSKXMEMQSICH-UHFFFAOYSA-N -1 0 411.841 4.878 40 0 HJABRM O=C([O-])c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl ZINC000022054634 558460107 /nfs/dbraw/zinc/46/01/07/558460107.db2.gz XCNBGWKQXRQKSA-UHFFFAOYSA-N -1 0 409.557 4.665 40 0 in-vitro HJABRM O=C([O-])[C@@H]1c2ccc(Br)cc2CCN1c1ccc(Cl)cc1Cl ZINC000095627614 559087763 /nfs/dbraw/zinc/08/77/63/559087763.db2.gz XIABTSHFZPCWHF-HNNXBMFYSA-N -1 0 401.087 4.944 40 0 HJABRM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000136028175 559276448 /nfs/dbraw/zinc/27/64/48/559276448.db2.gz BCPFHFTYCQVWBK-XNYCMSQESA-N -1 0 409.294 4.578 40 0 HJABRM COc1ccccc1-c1cccc(C(=O)N(CCCc2ccccc2)CC(=O)[O-])c1 ZINC000257328827 559283226 /nfs/dbraw/zinc/28/32/26/559283226.db2.gz XHGFXEAOIHLRPZ-UHFFFAOYSA-N -1 0 403.478 4.522 40 0 HJABRM CC1=C(C)C[C@@H](C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000004949776 560616999 /nfs/dbraw/zinc/61/69/99/560616999.db2.gz TUDXFVSBNYXLLX-WOJBJXKFSA-N -1 0 413.518 4.527 40 0 HJABRM O=C([O-])[C@H]1CS[C@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000408817239 560644713 /nfs/dbraw/zinc/64/47/13/560644713.db2.gz XKIRALXPLLJYTM-SJLPKXTDSA-N -1 0 407.322 4.785 40 0 HJABRM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409044525 560669345 /nfs/dbraw/zinc/66/93/45/560669345.db2.gz VRMMFPSGMPTKML-YBFXNURJSA-N -1 0 422.868 4.651 40 0 HJABRM Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cccc1C(=O)[O-] ZINC000006571313 560743847 /nfs/dbraw/zinc/74/38/47/560743847.db2.gz TWSZQWMORWLYED-UHFFFAOYSA-N -1 0 414.870 4.733 40 0 HJABRM O=C([O-])c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000106699384 560744420 /nfs/dbraw/zinc/74/44/20/560744420.db2.gz VNMRHMBORUVRBC-CHHVJCJISA-N -1 0 408.262 4.928 40 0 HJABRM CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000014155825 560840302 /nfs/dbraw/zinc/84/03/02/560840302.db2.gz RGFOHOUNKOQIFJ-UHFFFAOYSA-N -1 0 408.951 4.678 40 0 HJABRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000016120435 560859780 /nfs/dbraw/zinc/85/97/80/560859780.db2.gz GGPWRKPIHKCFEX-UHFFFAOYSA-N -1 0 411.104 4.565 40 0 HJABRM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000016545790 560860969 /nfs/dbraw/zinc/86/09/69/560860969.db2.gz VSVJYCBQMROSLA-UHFFFAOYSA-N -1 0 419.289 4.972 40 0 HJABRM CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2[C@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)[O-])s1 ZINC000004903594 568422545 /nfs/dbraw/zinc/42/25/45/568422545.db2.gz UURQRNAEFYOBCJ-DACLVMHWSA-N -1 0 419.543 4.509 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000216443459 568465440 /nfs/dbraw/zinc/46/54/40/568465440.db2.gz UXRKDTOCTQXDAA-JOCHJYFZSA-N -1 0 420.534 4.603 40 0 HJABRM CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000222937805 568531657 /nfs/dbraw/zinc/53/16/57/568531657.db2.gz UZVXWXOTODHQBW-RTWAWAEBSA-N -1 0 421.522 4.668 40 0 HJABRM COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000223250608 568542625 /nfs/dbraw/zinc/54/26/25/568542625.db2.gz ITDBNZCOLHTJMG-UHFFFAOYSA-N -1 0 408.863 4.547 40 0 HJABRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)c(C)c1 ZINC000223760808 568558289 /nfs/dbraw/zinc/55/82/89/568558289.db2.gz JLDIMHHEPQMLCL-UHFFFAOYSA-N -1 0 405.570 4.556 40 0 HJABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(C)ccc2C)cc1 ZINC000225051368 568611355 /nfs/dbraw/zinc/61/13/55/568611355.db2.gz CQQKRQRQJGVQKJ-UHFFFAOYSA-N -1 0 424.522 4.674 40 0 HJABRM O=C([O-])COc1ccc(CN2CCCC[C@H]2c2ncc(Cc3ccccc3F)o2)cc1 ZINC000257204202 568777387 /nfs/dbraw/zinc/77/73/87/568777387.db2.gz ATMYQKROCYTGDL-QFIPXVFZSA-N -1 0 424.472 4.595 40 0 HJABRM COc1ccccc1Cc1cnc([C@H]2CCCCN2Cc2cccc(C(=O)[O-])c2)o1 ZINC000257207109 568778196 /nfs/dbraw/zinc/77/81/96/568778196.db2.gz BGJMHVGFPGVDTR-OAQYLSRUSA-N -1 0 406.482 4.699 40 0 HJABRM COc1cc(CCc2nc(N3CCC[C@H]3c3ccccc3)ncc2C(=O)[O-])ccc1C ZINC000257216098 568780865 /nfs/dbraw/zinc/78/08/65/568780865.db2.gz CTBKIOUAKHMTDX-QFIPXVFZSA-N -1 0 417.509 4.619 40 0 HJABRM CC(C)(C)C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257232147 568785364 /nfs/dbraw/zinc/78/53/64/568785364.db2.gz GJPONXHKVKZAFT-HNNXBMFYSA-N -1 0 406.935 4.795 40 0 HJABRM Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)[O-])Cc2cccc(F)c2F)cc1 ZINC000257320478 568810401 /nfs/dbraw/zinc/81/04/01/568810401.db2.gz VWZVYLYGNOCXTQ-UHFFFAOYSA-N -1 0 411.404 4.793 40 0 HJABRM CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(CCCc2ccccc2)c(C(=O)[O-])s1 ZINC000257331808 568813613 /nfs/dbraw/zinc/81/36/13/568813613.db2.gz XUIOCURUZCZLON-QGZVFWFLSA-N -1 0 400.544 4.726 40 0 HJABRM CCCCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257331995 568813660 /nfs/dbraw/zinc/81/36/60/568813660.db2.gz XVGNECLENLNKHS-INIZCTEOSA-N -1 0 406.935 4.939 40 0 HJABRM O=C([O-])c1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)ccc1Cl ZINC000017091755 569005192 /nfs/dbraw/zinc/00/51/92/569005192.db2.gz AWGXZKSLLBULBF-UHFFFAOYSA-N -1 0 419.289 4.972 40 0 HJABRM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1 ZINC000199769737 569284338 /nfs/dbraw/zinc/28/43/38/569284338.db2.gz VRVUCYWHGCWYLT-UHFFFAOYSA-N -1 0 414.630 4.922 40 0 HJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2sccc2C)C(=O)[O-])n[nH]1 ZINC000007342188 569337058 /nfs/dbraw/zinc/33/70/58/569337058.db2.gz JSSWMRZYMHRZAV-ZSOIEALJSA-N -1 0 407.904 4.721 40 0 HJABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000008470107 569341099 /nfs/dbraw/zinc/34/10/99/569341099.db2.gz HFKJIAPHIMTNCE-ACCUITESSA-N -1 0 400.434 4.597 40 0 HJABRM C/C(=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)[C@@H](O)C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013432977 291271450 /nfs/dbraw/zinc/27/14/50/291271450.db2.gz XFTFIFNAWKMLKL-LXINJMMDSA-N -1 0 422.949 4.753 40 0 biogenic,in-vitro HJABRM O=c1c2cnc([N-]c3nc(-c4ccccc4)cs3)nc2ccn1Cc1ccccc1 ZINC000020799728 527470760 /nfs/dbraw/zinc/47/07/60/527470760.db2.gz QLWZMUKHRYXSPI-UHFFFAOYSA-N -1 0 411.490 4.707 40 0 HJABRM O=C([O-])COc1cc(NC(=O)c2ccccc2)ccc1-c1nc2ccccc2s1 ZINC000020158256 527616299 /nfs/dbraw/zinc/61/62/99/527616299.db2.gz XCOOAIZGHLKRRF-UHFFFAOYSA-N -1 0 404.447 4.679 40 0 HJABRM O=C([O-])c1ccccc1C(=O)Nc1cc2c(cc1Br)-c1ccccc1C2=O ZINC000001687557 557280769 /nfs/dbraw/zinc/28/07/69/557280769.db2.gz PCTWMIAAJZTNHU-UHFFFAOYSA-N -1 0 422.234 4.611 40 0 in-vitro HJABRM CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C1=O ZINC000408545264 557363815 /nfs/dbraw/zinc/36/38/15/557363815.db2.gz XDNPTXHOGREBHN-BUESGFEBSA-N -1 0 424.478 4.816 40 0 HJABRM COC(=O)/C(=C\c1ccc(/C=C(\C(=O)[O-])c2ccc(OC)cc2)o1)c1ccccc1 ZINC000006404123 557701558 /nfs/dbraw/zinc/70/15/58/557701558.db2.gz RCJZGELYXLOSJG-HHQODBOJSA-N -1 0 404.418 4.627 40 0 HJABRM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)ccc21 ZINC000010516223 558258494 /nfs/dbraw/zinc/25/84/94/558258494.db2.gz QTSAXAUMHMDUJM-UHFFFAOYSA-N -1 0 424.547 4.548 40 0 HJABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000020144672 558339689 /nfs/dbraw/zinc/33/96/89/558339689.db2.gz WBDQWYVKGSVVDD-MRVPVSSYSA-N -1 0 418.660 4.760 40 0 HJABRM CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000020454133 558368032 /nfs/dbraw/zinc/36/80/32/558368032.db2.gz UGGBROYYZSXTRR-NRFANRHFSA-N -1 0 408.523 4.677 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)c1 ZINC000013668413 558560375 /nfs/dbraw/zinc/56/03/75/558560375.db2.gz HTUNTMYAFCDEML-UHFFFAOYSA-N -1 0 414.914 4.726 40 0 HJABRM CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)S2)cc1 ZINC000016161952 558774824 /nfs/dbraw/zinc/77/48/24/558774824.db2.gz XWFHIOQVSOHYMW-PGGUJSHWSA-N -1 0 420.490 4.807 40 0 HJABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)Nc1cccc2ccccc21 ZINC000016544986 558795596 /nfs/dbraw/zinc/79/55/96/558795596.db2.gz TXOIGJCXAZFRJD-UHFFFAOYSA-N -1 0 424.507 4.741 40 0 HJABRM CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101083380 558826856 /nfs/dbraw/zinc/82/68/56/558826856.db2.gz HKJYIXSCILEBFO-OTWHNJEPSA-N -1 0 419.308 4.862 40 0 HJABRM CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071980508 558917221 /nfs/dbraw/zinc/91/72/21/558917221.db2.gz AEOBAVYLSSWXBY-FXUPRZHBSA-N -1 0 413.436 4.564 40 0 HJABRM Cc1ccc2nc([N-]S(=O)(=O)c3cc(C)c(C)cc3Br)sc2c1 ZINC000072414494 558978237 /nfs/dbraw/zinc/97/82/37/558978237.db2.gz BJPJVMKVNTZFIN-UHFFFAOYSA-N -1 0 411.346 4.785 40 0 HJABRM O=C([O-])c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1COc1ccccc1 ZINC000585266892 559112820 /nfs/dbraw/zinc/11/28/20/559112820.db2.gz ULKUNWDCHJRGHL-FQEVSTJZSA-N -1 0 409.873 4.749 40 0 HJABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000102633284 559151536 /nfs/dbraw/zinc/15/15/36/559151536.db2.gz LMWJKRTVEQKHOC-OWLDWWDNSA-N -1 0 409.294 4.578 40 0 HJABRM O=C([O-])C(=Cc1cc(Cl)ccc1O)Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000007603250 559253464 /nfs/dbraw/zinc/25/34/64/559253464.db2.gz FKZGVSAUAOIIPT-ZSOIEALJSA-N -1 0 408.266 4.702 40 0 HJABRM COc1ccccc1Cc1cnc([C@@H]2CCCCN2Cc2ccc(C(=O)[O-])cc2)o1 ZINC000257209271 559282568 /nfs/dbraw/zinc/28/25/68/559282568.db2.gz BPSWYPSXGMVYCW-NRFANRHFSA-N -1 0 406.482 4.699 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c(C)c1 ZINC000006681738 560632325 /nfs/dbraw/zinc/63/23/25/560632325.db2.gz YMJGHMOIBFDJOD-UHFFFAOYSA-N -1 0 400.525 4.726 40 0 HJABRM CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)S2)cc1 ZINC000408783214 560641268 /nfs/dbraw/zinc/64/12/68/560641268.db2.gz LEDPXYXHEKMVHI-JPFXZVHCSA-N -1 0 420.490 4.807 40 0 HJABRM O=C([O-])[C@@H]1CS[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000408817242 560644704 /nfs/dbraw/zinc/64/47/04/560644704.db2.gz XKIRALXPLLJYTM-WMZOPIPTSA-N -1 0 407.322 4.785 40 0 HJABRM Cc1cccc(CN2C(=O)S/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000409095792 560675776 /nfs/dbraw/zinc/67/57/76/560675776.db2.gz JGGREQHMURPNSV-MOSHPQCFSA-N -1 0 418.474 4.720 40 0 HJABRM Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2C)c1 ZINC000409368034 560716507 /nfs/dbraw/zinc/71/65/07/560716507.db2.gz LSTUIPQZTCXUJM-SFHVURJKSA-N -1 0 408.523 4.595 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)c1C ZINC000006368751 560741372 /nfs/dbraw/zinc/74/13/72/560741372.db2.gz ZNCZSGNKZRNQFL-UHFFFAOYSA-N -1 0 420.962 4.630 40 0 HJABRM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000106681230 560745170 /nfs/dbraw/zinc/74/51/70/560745170.db2.gz ROUUIDIGROCFMV-UNOMPAQXSA-N -1 0 405.431 4.881 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 ZINC000014154769 560840022 /nfs/dbraw/zinc/84/00/22/560840022.db2.gz AIDILKMFOVHAIN-UHFFFAOYSA-N -1 0 418.877 4.841 40 0 HJABRM O=C([O-])COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1-c1nc2ccccc2o1 ZINC000020158296 560881818 /nfs/dbraw/zinc/88/18/18/560881818.db2.gz IHBAMQKWFIPUPN-UHFFFAOYSA-N -1 0 422.824 4.864 40 0 HJABRM C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)cc1)C(=O)[O-] ZINC000211515163 568454811 /nfs/dbraw/zinc/45/48/11/568454811.db2.gz DBLKRVZCBSSRRK-NTCAYCPXSA-N -1 0 412.511 4.510 40 0 HJABRM C[C@@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCCC1)c1ccccc1 ZINC000217451357 568472197 /nfs/dbraw/zinc/47/21/97/568472197.db2.gz UWPHHQBXJCQZFF-MRXNPFEDSA-N -1 0 416.543 4.559 40 0 HJABRM C[C@@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000217477951 568472241 /nfs/dbraw/zinc/47/22/41/568472241.db2.gz VKIXHDNJTZEGLQ-IAGOWNOFSA-N -1 0 424.522 4.597 40 0 HJABRM C[C@@H](Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)[O-])c1ccccc1 ZINC000217610412 568473076 /nfs/dbraw/zinc/47/30/76/568473076.db2.gz IKXVPCRAVNLGBP-SJORKVTESA-N -1 0 424.522 4.597 40 0 HJABRM O=C(CN(c1n[n-]c(=S)s1)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000008436108 568501050 /nfs/dbraw/zinc/50/10/50/568501050.db2.gz AWTOABOAAKGILY-UHFFFAOYSA-N -1 0 410.446 4.996 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222850486 568528411 /nfs/dbraw/zinc/52/84/11/568528411.db2.gz GAWKFDYRGULRAY-NHCUHLMSSA-N -1 0 421.522 4.729 40 0 HJABRM CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000222938141 568531768 /nfs/dbraw/zinc/53/17/68/568531768.db2.gz MZFGUZSVVCLQBP-LEWJYISDSA-N -1 0 421.522 4.668 40 0 HJABRM O=C([O-])[C@@H](Cc1ccc(I)cc1)Oc1ccc2ccccc2c1 ZINC000225069094 568612375 /nfs/dbraw/zinc/61/23/75/568612375.db2.gz WGDMMCWMRMWYGC-GOSISDBHSA-N -1 0 418.230 4.519 40 0 HJABRM CCc1ccc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000225408820 568634978 /nfs/dbraw/zinc/63/49/78/568634978.db2.gz XAWPUCUJRAGSRE-KRWDZBQOSA-N -1 0 408.523 4.541 40 0 HJABRM CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(C[C@H](O)CC)n1 ZINC000257235854 568786540 /nfs/dbraw/zinc/78/65/40/568786540.db2.gz GZVLHIVYZLDDSN-GOSISDBHSA-N -1 0 412.461 4.614 40 0 HJABRM COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)c(OCC(=O)[O-])c1 ZINC000257335267 568814856 /nfs/dbraw/zinc/81/48/56/568814856.db2.gz YJKQWXHAGCONAK-UHFFFAOYSA-N -1 0 414.889 4.999 40 0 HJABRM COC(=O)N([C@@H](Cc1ccc(OC)cc1)C(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000147006308 569040052 /nfs/dbraw/zinc/04/00/52/569040052.db2.gz JYTPPUVGKXKUAC-QFIPXVFZSA-N -1 0 417.461 4.529 40 0 HJABRM COc1ccc(-c2oc(/C=C/C(=O)[O-])cc2Br)c(Br)c1 ZINC000057353782 569063770 /nfs/dbraw/zinc/06/37/70/569063770.db2.gz JXQWGJGNRUZCDD-HWKANZROSA-N -1 0 402.038 4.578 40 0 HJABRM CCCc1nc(SC(=Cc2ccccc2OCc2ccccc2F)C(=O)[O-])n[nH]1 ZINC000007342272 569336989 /nfs/dbraw/zinc/33/69/89/569336989.db2.gz RSQOVIZTIJFWFJ-PDGQHHTCSA-N -1 0 413.474 4.693 40 0 HJABRM CCc1nc(SC(=Cc2cccc(OCc3ccc(Cl)cc3)c2)C(=O)[O-])n[nH]1 ZINC000007342426 569337070 /nfs/dbraw/zinc/33/70/70/569337070.db2.gz SMKKCRWRSPUACI-BOPFTXTBSA-N -1 0 415.902 4.817 40 0 HJABRM COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(C)c1 ZINC000007603233 569337745 /nfs/dbraw/zinc/33/77/45/569337745.db2.gz UQABOPWOFXWNDU-YBEGLDIGSA-N -1 0 402.859 4.925 40 0 HJABRM Cc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018126585 569383735 /nfs/dbraw/zinc/38/37/35/569383735.db2.gz CVLPMAZXXKVYIN-FSSWDIPSSA-N -1 0 418.880 4.700 40 0 HJABRM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000044883634 525717278 /nfs/dbraw/zinc/71/72/78/525717278.db2.gz RREMJXVCBBCCGI-MRXNPFEDSA-N -1 0 414.552 4.657 40 0 HJABRM CC(C)(C)C(=O)[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000001081426 557175597 /nfs/dbraw/zinc/17/55/97/557175597.db2.gz SJDRWLQBNZCZBG-INIZCTEOSA-N -1 0 424.280 4.693 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2Cl)cc1 ZINC000408543497 557360604 /nfs/dbraw/zinc/36/06/04/557360604.db2.gz DUQDSVVZBVHXBO-UHFFFAOYSA-N -1 0 418.877 4.841 40 0 HJABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)cc1C ZINC000408549381 557396297 /nfs/dbraw/zinc/39/62/97/557396297.db2.gz YPXPZQACVHTJIQ-UHFFFAOYSA-N -1 0 420.962 4.630 40 0 HJABRM CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1Br ZINC000408635333 557599562 /nfs/dbraw/zinc/59/95/62/557599562.db2.gz ZLOFPKOZFWQYEV-YBEGLDIGSA-N -1 0 419.300 4.942 40 0 HJABRM CC(C)n1c(/C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 ZINC000007997999 557769405 /nfs/dbraw/zinc/76/94/05/557769405.db2.gz FJLGEFLZQAZZCD-DBBWNDPISA-N -1 0 411.473 4.628 40 0 HJABRM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000008287472 557779997 /nfs/dbraw/zinc/77/99/97/557779997.db2.gz UTHYUSUGLUXTEJ-UHFFFAOYSA-N -1 0 400.887 4.702 40 0 HJABRM C[C@@]1(C(=O)[O-])CC[C@H]2[C@@H](CC=C3C[C@H](O)CC[C@@]32C)[C@H]1C[C@H]1Nc2ccccc2C1=O ZINC000008616136 557796866 /nfs/dbraw/zinc/79/68/66/557796866.db2.gz LSPRYAWXULXANH-FFMGNDDFSA-N -1 0 423.553 4.668 40 0 HJABRM CC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000020458851 558371556 /nfs/dbraw/zinc/37/15/56/558371556.db2.gz IOOHOLYUXKHDIC-JOCHJYFZSA-N -1 0 422.550 4.985 40 0 HJABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 ZINC000020462486 558373560 /nfs/dbraw/zinc/37/35/60/558373560.db2.gz WWVYYYWBCPEUER-IBGZPJMESA-N -1 0 422.550 4.904 40 0 HJABRM Cc1cccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2cccc([N-]c3nncs3)n2)c1 ZINC000072375611 558964214 /nfs/dbraw/zinc/96/42/14/558964214.db2.gz XDCSJRWXERDESR-GOSISDBHSA-N -1 0 423.542 4.506 40 0 HJABRM Cc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000095532175 559087219 /nfs/dbraw/zinc/08/72/19/559087219.db2.gz OGHPEAGNESAFNZ-FQEVSTJZSA-N -1 0 421.884 4.739 40 0 HJABRM COc1ccc2c(c1)[C@H]1O[C@@H](Cc3cccc(Cl)c3)[C@@H](C(=O)[O-])C[C@@H]1C(C)(C)O2 ZINC000585264810 559112383 /nfs/dbraw/zinc/11/23/83/559112383.db2.gz OWSISPRYKFTCPP-JYAXBFRTSA-N -1 0 416.901 4.909 40 0 HJABRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2 ZINC000585267640 559112984 /nfs/dbraw/zinc/11/29/84/559112984.db2.gz RDDUQZGGHWCRTG-AREMUKBSSA-N -1 0 423.553 4.929 40 0 HJABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000118934462 559206388 /nfs/dbraw/zinc/20/63/88/559206388.db2.gz JIAQXWKDZDJACF-VQXZZTEQSA-N -1 0 418.574 4.867 40 0 HJABRM O=C([O-])c1ccc(-c2ccc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)o1 ZINC000226353226 559273592 /nfs/dbraw/zinc/27/35/92/559273592.db2.gz XOACCHNKJHXBQI-UHFFFAOYSA-N -1 0 412.250 4.752 40 0 HJABRM COc1cc(C(=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000226364690 559273710 /nfs/dbraw/zinc/27/37/10/559273710.db2.gz WYQJBHFYOVIBHW-UHFFFAOYSA-N -1 0 401.212 4.528 40 0 HJABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000006330323 560556182 /nfs/dbraw/zinc/55/61/82/560556182.db2.gz LMWJKRTVEQKHOC-MMDVMMEASA-N -1 0 409.294 4.578 40 0 HJABRM Cc1ccc(OCc2nnc([N-]C(=O)c3ncoc3-c3ccccc3C)s2)cc1 ZINC000005001973 560620332 /nfs/dbraw/zinc/62/03/32/560620332.db2.gz PRCCKWNBEJKHEF-UHFFFAOYSA-N -1 0 406.467 4.641 40 0 HJABRM O=C([O-])[C@@H]1CS[C@@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N1 ZINC000408809092 560643732 /nfs/dbraw/zinc/64/37/32/560643732.db2.gz HUWDGEXYQUYVBT-WMZOPIPTSA-N -1 0 407.322 4.785 40 0 HJABRM O=C([O-])[C@@H]1CS[C@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000408817236 560644670 /nfs/dbraw/zinc/64/46/70/560644670.db2.gz XKIRALXPLLJYTM-FUHWJXTLSA-N -1 0 407.322 4.785 40 0 HJABRM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2cccc3ccccc32)cc1 ZINC000408972866 560660802 /nfs/dbraw/zinc/66/08/02/560660802.db2.gz WLNXPQDXUIMUFZ-UHFFFAOYSA-N -1 0 414.461 4.718 40 0 HJABRM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409047260 560669748 /nfs/dbraw/zinc/66/97/48/560669748.db2.gz MBTZXAXRFSIFKL-YBFXNURJSA-N -1 0 422.868 4.651 40 0 HJABRM O=C([O-])CN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O ZINC000409131911 560680488 /nfs/dbraw/zinc/68/04/88/560680488.db2.gz PPRKZZLUMCCJMQ-UDWIEESQSA-N -1 0 419.458 4.540 40 0 HJABRM CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C(=O)[O-])cc1 ZINC000409385401 560717833 /nfs/dbraw/zinc/71/78/33/560717833.db2.gz KUFLEEQXMCXZKH-UHFFFAOYSA-N -1 0 403.891 4.521 40 0 HJABRM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000102736788 560731780 /nfs/dbraw/zinc/73/17/80/560731780.db2.gz ZWVOJGSNYJKDCJ-TWHAJKEOSA-N -1 0 406.526 4.890 40 0 HJABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000014155039 560840035 /nfs/dbraw/zinc/84/00/35/560840035.db2.gz RFKAZMGZQPVYPQ-UHFFFAOYSA-N -1 0 418.877 4.841 40 0 HJABRM Cc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])c(Cl)c1 ZINC000016285080 560859889 /nfs/dbraw/zinc/85/98/89/560859889.db2.gz MGBKTCMQJPNHON-UHFFFAOYSA-N -1 0 417.701 4.780 40 0 HJABRM O=C([O-])COc1cc(NC(=O)Cc2ccccc2)ccc1-c1nc2ccccc2s1 ZINC000020158189 560881832 /nfs/dbraw/zinc/88/18/32/560881832.db2.gz NOMVXZCYYRPJTA-UHFFFAOYSA-N -1 0 418.474 4.608 40 0 HJABRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000217478036 568472147 /nfs/dbraw/zinc/47/21/47/568472147.db2.gz VKIXHDNJTZEGLQ-DLBZAZTESA-N -1 0 424.522 4.597 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2Cl)c1 ZINC000223958131 568564513 /nfs/dbraw/zinc/56/45/13/568564513.db2.gz FEYDTQVHVJGEDV-UHFFFAOYSA-N -1 0 418.946 4.679 40 0 HJABRM CC(C)n1c(=O)sc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000225147703 568617931 /nfs/dbraw/zinc/61/79/31/568617931.db2.gz UBLBPMJSSKJBMV-UHFFFAOYSA-N -1 0 417.339 4.752 40 0 HJABRM CCc1ccc(CC)c(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000225745210 568670827 /nfs/dbraw/zinc/67/08/27/568670827.db2.gz ZIMQLSQZQLUFOW-UHFFFAOYSA-N -1 0 422.550 4.542 40 0 HJABRM O=C([O-])CCN(CCc1ccccc1)C(=O)c1cccc(OCc2cccc(F)c2)c1 ZINC000257230291 568784973 /nfs/dbraw/zinc/78/49/73/568784973.db2.gz GBPJKWFGKSPUPZ-UHFFFAOYSA-N -1 0 421.468 4.564 40 0 HJABRM CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CC(C)C)n1 ZINC000257271354 568795965 /nfs/dbraw/zinc/79/59/65/568795965.db2.gz MXYQKIXUNYSTSL-UHFFFAOYSA-N -1 0 424.497 4.987 40 0 HJABRM CC(C)CC(=O)N1CCC[C@@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257278764 568798169 /nfs/dbraw/zinc/79/81/69/568798169.db2.gz ODOPTGPMQMEPSJ-MRXNPFEDSA-N -1 0 422.934 4.783 40 0 HJABRM CCc1ccccc1CN(Cc1ccccc1)C(=O)COc1c(F)cccc1C(=O)[O-] ZINC000257314060 568808566 /nfs/dbraw/zinc/80/85/66/568808566.db2.gz UVDNJZYHCKKLPK-UHFFFAOYSA-N -1 0 421.468 4.694 40 0 HJABRM O=C([O-])C[C@@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000013828181 568928202 /nfs/dbraw/zinc/92/82/02/568928202.db2.gz VGYFMXBACGZSIL-VVZAMHAXSA-N -1 0 421.468 4.518 40 0 investigational HJABRM Cc1c(C(=O)[O-])c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000216932254 569029437 /nfs/dbraw/zinc/02/94/37/569029437.db2.gz UXSOMIICFZTUIS-UHFFFAOYSA-N -1 0 416.271 4.908 40 0 HJABRM Cc1ccc(OCc2nnc([N-]C(=O)c3ncoc3-c3cccc(C)c3)s2)cc1 ZINC000005001989 569051846 /nfs/dbraw/zinc/05/18/46/569051846.db2.gz SMUKUVNWZBVTEW-UHFFFAOYSA-N -1 0 406.467 4.641 40 0 HJABRM Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000008434545 569341053 /nfs/dbraw/zinc/34/10/53/569341053.db2.gz CAPNYKCNDNSHJI-UHFFFAOYSA-N -1 0 408.841 4.851 40 0 HJABRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cccc(OCc2ccccc2F)c1 ZINC000033481969 569350518 /nfs/dbraw/zinc/35/05/18/569350518.db2.gz ZMLVWFPZQJJBSJ-XDHOZWIPSA-N -1 0 420.396 4.500 40 0 HJABRM CCn1c(S/C(=C\c2ccc(O)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000209172104 569355862 /nfs/dbraw/zinc/35/58/62/569355862.db2.gz BCWXTSMYPDYFMY-WJDWOHSUSA-N -1 0 401.875 4.542 40 0 HJABRM CCOc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414288 520673056 /nfs/dbraw/zinc/67/30/56/520673056.db2.gz KZINDDLBODIOQI-UHFFFAOYSA-N -1 0 421.316 4.505 40 0 HJABRM Cc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(C(=O)[O-])o3)ccc2Cl)cc1 ZINC000226355724 526143112 /nfs/dbraw/zinc/14/31/12/526143112.db2.gz DFNATSRPCDCKRD-UHFFFAOYSA-N -1 0 414.870 4.733 40 0 HJABRM Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(OCC(=O)[O-])c2)cc1 ZINC000020158219 526219045 /nfs/dbraw/zinc/21/90/45/526219045.db2.gz YZLQJXKSMCERAI-UHFFFAOYSA-N -1 0 402.406 4.519 40 0 HJABRM CCc1nc(SC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)[O-])n[nH]1 ZINC000408631465 557570078 /nfs/dbraw/zinc/57/00/78/557570078.db2.gz JGSYIUCGYJVUBO-ZROIWOOFSA-N -1 0 420.288 4.607 40 0 HJABRM COc1cc(Br)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c1O ZINC000408633937 557593294 /nfs/dbraw/zinc/59/32/94/557593294.db2.gz NVMWFBBUIQJDTE-AUWJEWJLSA-N -1 0 422.256 4.522 40 0 HJABRM COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000408672686 557666184 /nfs/dbraw/zinc/66/61/84/557666184.db2.gz OPEHGRVWPPNGJW-UHFFFAOYSA-N -1 0 424.840 4.551 40 0 HJABRM O=C([O-])c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000006863141 557727432 /nfs/dbraw/zinc/72/74/32/557727432.db2.gz GPJVCAWCTLZRCP-OVCLIPMQSA-N -1 0 408.262 4.928 40 0 HJABRM COc1ccc(Br)cc1C(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000020141233 558338955 /nfs/dbraw/zinc/33/89/55/558338955.db2.gz YBOPWRFTDLZVJU-UHFFFAOYSA-N -1 0 419.058 4.715 40 0 HJABRM CC(C)Oc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000013680449 558566412 /nfs/dbraw/zinc/56/64/12/558566412.db2.gz GSPZNZZEZFDDIA-UHFFFAOYSA-N -1 0 416.524 4.588 40 0 HJABRM Cc1cc(Cl)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013681912 558567038 /nfs/dbraw/zinc/56/70/38/558567038.db2.gz AAYAZZVKLXMPBQ-UHFFFAOYSA-N -1 0 406.916 4.763 40 0 HJABRM Cc1sc(N2CCCC2)nc1-c1cc(Br)cc(Br)c1[O-] ZINC000016265044 558782004 /nfs/dbraw/zinc/78/20/04/558782004.db2.gz GDZMQTKKKZAYIK-UHFFFAOYSA-N -1 0 418.154 4.949 40 0 HJABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1nc(-c3ccc(F)cc3)cs1)[C@@H]2C(=O)[O-] ZINC000017081879 558813787 /nfs/dbraw/zinc/81/37/87/558813787.db2.gz IVSADFKIURGWBT-LTCOOKNTSA-N -1 0 400.475 4.581 40 0 HJABRM Cc1nc2cc(C(=O)N(Cc3ccccc3)Cc3ccc(C(=O)[O-])cc3)ccc2o1 ZINC000585091729 559022847 /nfs/dbraw/zinc/02/28/47/559022847.db2.gz FUFJJSKQFXHPJS-UHFFFAOYSA-N -1 0 400.434 4.677 40 0 HJABRM O=c1c([C@@H](O)c2c(Cl)cccc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100355203 559134432 /nfs/dbraw/zinc/13/44/32/559134432.db2.gz FFQYGZXPGZSGTG-KBPBESRZSA-N -1 0 403.187 4.608 40 0 HJABRM CCCC(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000005234515 560547990 /nfs/dbraw/zinc/54/79/90/560547990.db2.gz DVHHEOMCNKAWJE-UHFFFAOYSA-N -1 0 417.314 4.541 40 0 HJABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000006330330 560556144 /nfs/dbraw/zinc/55/61/44/560556144.db2.gz LMWJKRTVEQKHOC-QPNXVFALSA-N -1 0 409.294 4.578 40 0 HJABRM COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1OC ZINC000408999034 560663505 /nfs/dbraw/zinc/66/35/05/560663505.db2.gz RESLALLENNWDEN-IEXUWNMDSA-N -1 0 401.462 4.873 40 0 HJABRM COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@@H]32)cc1OC ZINC000409001942 560663946 /nfs/dbraw/zinc/66/39/46/560663946.db2.gz RBQBUVHCLZLIBL-VJBMBRPKSA-N -1 0 401.462 4.873 40 0 HJABRM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000409094974 560674780 /nfs/dbraw/zinc/67/47/80/560674780.db2.gz GWCVWLAWYSLZLP-UNOMPAQXSA-N -1 0 422.437 4.551 40 0 HJABRM O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000409123210 560679900 /nfs/dbraw/zinc/67/99/00/560679900.db2.gz AKGRXVSEVNQEMF-UDWIEESQSA-N -1 0 419.458 4.540 40 0 HJABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2Cl)c1C ZINC000010112560 560764199 /nfs/dbraw/zinc/76/41/99/560764199.db2.gz FQNUMKHWJYCQDT-CQSZACIVSA-N -1 0 420.962 4.630 40 0 HJABRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2C)cc1 ZINC000014154331 560839957 /nfs/dbraw/zinc/83/99/57/560839957.db2.gz PRCQONNHNYXEPJ-GOSISDBHSA-N -1 0 408.523 4.595 40 0 HJABRM O=C([O-])c1cc(NC(=S)NC(=O)c2cccc3ccccc32)c(Cl)cc1Cl ZINC000020152212 560876020 /nfs/dbraw/zinc/87/60/20/560876020.db2.gz GXFQZQIUKDLWIS-UHFFFAOYSA-N -1 0 419.289 4.972 40 0 HJABRM O=C([O-])COc1ccc(NC(=O)c2ccccc2Cl)cc1-c1nc2ccccc2o1 ZINC000020157945 560881731 /nfs/dbraw/zinc/88/17/31/560881731.db2.gz QJHVZBMKOLCGPA-UHFFFAOYSA-N -1 0 422.824 4.864 40 0 HJABRM O=C([O-])c1cc(S(=O)(=O)NC2CCCCCC2)ccc1NCCC1=CCCCC1 ZINC000217582610 568472881 /nfs/dbraw/zinc/47/28/81/568472881.db2.gz OXEYAUILJRYGEV-UHFFFAOYSA-N -1 0 420.575 4.688 40 0 HJABRM CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(=O)[O-])c3)N21 ZINC000222708724 568524282 /nfs/dbraw/zinc/52/42/82/568524282.db2.gz HAXKPWABYPLQIA-ORYQWCPZSA-N -1 0 418.522 4.550 40 0 HJABRM CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000222982761 568533105 /nfs/dbraw/zinc/53/31/05/568533105.db2.gz PHFKAPISPWWXGB-LEWJYISDSA-N -1 0 421.522 4.812 40 0 HJABRM O=C(NCCC1CCCCCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000223998233 568565803 /nfs/dbraw/zinc/56/58/03/568565803.db2.gz ZPSGBCIDLXMYTF-UHFFFAOYSA-N -1 0 406.573 4.639 40 0 HJABRM O=C([O-])CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225064620 568611890 /nfs/dbraw/zinc/61/18/90/568611890.db2.gz PGVIPOWYFRRHHH-UHFFFAOYSA-N -1 0 417.486 4.787 40 0 HJABRM CC(C)(C)c1ccc(O[C@H](Cc2ccc(I)cc2)C(=O)[O-])cc1 ZINC000225068100 568612314 /nfs/dbraw/zinc/61/23/14/568612314.db2.gz XFJHNQDVXRZPBQ-QGZVFWFLSA-N -1 0 424.278 4.663 40 0 HJABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2Cl)c1 ZINC000225200952 568622566 /nfs/dbraw/zinc/62/25/66/568622566.db2.gz JNJFZMRCJYQMQI-OAHLLOKOSA-N -1 0 408.951 4.532 40 0 HJABRM Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 ZINC000260752924 568737530 /nfs/dbraw/zinc/73/75/30/568737530.db2.gz AINGBCIQLFNDAV-XMDBHEJHSA-N -1 0 419.506 4.938 40 0 HJABRM CC(C)CC(=O)N1CCC[C@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000257278763 568798175 /nfs/dbraw/zinc/79/81/75/568798175.db2.gz ODOPTGPMQMEPSJ-INIZCTEOSA-N -1 0 422.934 4.783 40 0 HJABRM CC(C)n1cnc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(Cl)c(Cl)c3)ccc21 ZINC000257298685 568804051 /nfs/dbraw/zinc/80/40/51/568804051.db2.gz RMWKVUCYPRDFNI-UHFFFAOYSA-N -1 0 420.296 4.651 40 0 HJABRM COc1ccc2c(c1OC)C([O-])=C(C(=O)c1ccccc1)[C@H]2CC(=O)c1ccccc1 ZINC000101571477 568936449 /nfs/dbraw/zinc/93/64/49/568936449.db2.gz NVRNWOFZPFEZRX-UGKGYDQZSA-N -1 0 414.457 4.756 40 0 HJABRM C[C@@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000034212928 569290479 /nfs/dbraw/zinc/29/04/79/569290479.db2.gz ORQZAESELNKXTJ-OXQOHEQNSA-N -1 0 413.514 4.972 40 0 HJABRM Cc1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])n1 ZINC000006329193 569331192 /nfs/dbraw/zinc/33/11/92/569331192.db2.gz GHNFUQJDXRROIJ-APSNUPSMSA-N -1 0 406.870 4.531 40 0 HJABRM CCCc1nc(SC(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)[O-])n[nH]1 ZINC000007342330 569336995 /nfs/dbraw/zinc/33/69/95/569336995.db2.gz WCBBQHMVFXKRTR-PDGQHHTCSA-N -1 0 413.474 4.693 40 0 HJABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(C)cc2)C(=O)[O-])n[nH]1 ZINC000007342183 569337003 /nfs/dbraw/zinc/33/70/03/569337003.db2.gz DVSATTRKGISTFY-SXGWCWSVSA-N -1 0 401.875 4.660 40 0 HJABRM Cc1c(Cl)cccc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000008434546 569341066 /nfs/dbraw/zinc/34/10/66/569341066.db2.gz HUTACWMLYZALOA-UHFFFAOYSA-N -1 0 408.841 4.851 40 0 HJABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000008470117 569341091 /nfs/dbraw/zinc/34/10/91/569341091.db2.gz KQKPEGQOXAJVOS-RIYZIHGNSA-N -1 0 400.434 4.597 40 0 HJABRM