smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)c2)c1 ZINC000000754836 557076625 /nfs/dbraw/zinc/07/66/25/557076625.db2.gz HKRILFDSFKMYMU-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(N3CCCC3)sc2c1 ZINC000012604648 568870859 /nfs/dbraw/zinc/87/08/59/568870859.db2.gz JFLQPWJGLZUCEM-UHFFFAOYSA-N -2 1 417.512 3.704 50 0 HHAAML Cc1nnc(SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)[O-])[nH]1 ZINC000006129832 569014080 /nfs/dbraw/zinc/01/40/80/569014080.db2.gz PWRXMDIWLVSXSY-LICLKQGHSA-N -2 1 411.439 3.608 50 0 HHAAML Cc1nc(SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)[O-])n[nH]1 ZINC000006129832 569014081 /nfs/dbraw/zinc/01/40/81/569014081.db2.gz PWRXMDIWLVSXSY-LICLKQGHSA-N -2 1 411.439 3.608 50 0 HHAAML Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1C ZINC000035397342 569034889 /nfs/dbraw/zinc/03/48/89/569034889.db2.gz WWYOMXPLYWSMDX-UHFFFAOYSA-N -2 1 417.531 3.742 50 0 HHAAML Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397594 569034966 /nfs/dbraw/zinc/03/49/66/569034966.db2.gz NWMKZCLVRFHJKY-UHFFFAOYSA-N -2 1 417.531 3.968 50 0 HHAAML O=C([O-])c1csc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c1 ZINC000089807650 569266257 /nfs/dbraw/zinc/26/62/57/569266257.db2.gz YDSXMIJPNFCSMN-UHFFFAOYSA-N -2 1 401.412 3.777 50 0 HHAAML CCCN1c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)c3cccc(c23)C1=O ZINC000041125268 519865379 /nfs/dbraw/zinc/86/53/79/519865379.db2.gz ALMGGRVJQGDVHH-UHFFFAOYSA-N -2 1 410.451 3.709 50 0 HHAAML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)cc1 ZINC000072312970 558838335 /nfs/dbraw/zinc/83/83/35/558838335.db2.gz FIIHDVSUFSJIGN-UHFFFAOYSA-N -2 1 411.439 3.641 50 0 HHAAML CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000033253920 558921947 /nfs/dbraw/zinc/92/19/47/558921947.db2.gz BXYCJIXOARYJOG-UHFFFAOYSA-N -2 1 406.504 3.821 50 0 HHAAML CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(C(=O)[O-])o3)c2C)cc1 ZINC000226353393 568806861 /nfs/dbraw/zinc/80/68/61/568806861.db2.gz DPPFDTMQZLZNCH-UHFFFAOYSA-N -2 1 414.439 3.712 50 0 HHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)ccc1F ZINC000012585018 568866182 /nfs/dbraw/zinc/86/61/82/568866182.db2.gz YUEHFBQFYOYVAH-UHFFFAOYSA-N -2 1 421.475 3.535 50 0 HHAAML Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1C ZINC000035397443 569034875 /nfs/dbraw/zinc/03/48/75/569034875.db2.gz CCCUEFUNQLENIO-UHFFFAOYSA-N -2 1 417.531 3.886 50 0 HHAAML COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1Cl ZINC000013346026 560804821 /nfs/dbraw/zinc/80/48/21/560804821.db2.gz XJJCFTSQJWGHQU-UHFFFAOYSA-N -2 1 420.668 3.610 50 0 HHAAML CCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000035397660 569034920 /nfs/dbraw/zinc/03/49/20/569034920.db2.gz KQMXNJVGLDAAFK-UHFFFAOYSA-N -2 1 405.520 3.625 50 0 HHAAML Cc1nnc(SC(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[O-])[nH]1 ZINC000009350922 571250579 /nfs/dbraw/zinc/25/05/79/571250579.db2.gz FSTMVTJCUXGKFP-AUWJEWJLSA-N -2 1 405.819 3.943 50 0 HHAAML Cc1nc(SC(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[O-])n[nH]1 ZINC000009350922 571250581 /nfs/dbraw/zinc/25/05/81/571250581.db2.gz FSTMVTJCUXGKFP-AUWJEWJLSA-N -2 1 405.819 3.943 50 0 HHAAML CCCN1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)c3cccc(c23)C1=O ZINC000041125265 519865581 /nfs/dbraw/zinc/86/55/81/519865581.db2.gz FOWKNNPCIOLKPM-UHFFFAOYSA-N -2 1 410.451 3.709 50 0 HHAAML Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)c2)cc1 ZINC000000786454 557080352 /nfs/dbraw/zinc/08/03/52/557080352.db2.gz ULKHZJNGLDELRU-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML CCc1cc2c([n-]c(=S)n([N-]C(=O)c3cc(Br)cs3)c2=O)s1 ZINC000017090517 558819142 /nfs/dbraw/zinc/81/91/42/558819142.db2.gz PABCUORBNYGLDG-UHFFFAOYSA-N -2 1 416.347 3.891 50 0 HHAAML CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000033253912 558921953 /nfs/dbraw/zinc/92/19/53/558921953.db2.gz LXQXWRYRUOKLPF-UHFFFAOYSA-N -2 1 414.458 3.961 50 0 HHAAML CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1 ZINC000033253963 558922301 /nfs/dbraw/zinc/92/23/01/558922301.db2.gz IUFSWYMSGJZZDL-HNNXBMFYSA-N -2 1 402.516 3.984 50 0 HHAAML Cc1cc(C)cc(S(=O)(=O)[N-]c2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397621 569034916 /nfs/dbraw/zinc/03/49/16/569034916.db2.gz FATROPSLCBYLDB-UHFFFAOYSA-N -2 1 417.531 3.968 50 0 HHAAML CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1 ZINC000064580634 569068527 /nfs/dbraw/zinc/06/85/27/569068527.db2.gz XABZQEQBCKLDSQ-HNNXBMFYSA-N -2 1 418.515 3.821 50 0 HHAAML Cc1nnc(SC(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)[O-])[nH]1 ZINC000009360080 571251404 /nfs/dbraw/zinc/25/14/04/571251404.db2.gz PXLGCFRWPKKBDY-YVLHZVERSA-N -2 1 411.439 3.608 50 0 HHAAML Cc1nc(SC(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)[O-])n[nH]1 ZINC000009360080 571251405 /nfs/dbraw/zinc/25/14/05/571251405.db2.gz PXLGCFRWPKKBDY-YVLHZVERSA-N -2 1 411.439 3.608 50 0 HHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(Br)s1 ZINC000032588138 526355275 /nfs/dbraw/zinc/35/52/75/526355275.db2.gz BZRSHYIZRUQGNO-UHFFFAOYSA-N -2 1 414.661 3.802 50 0 HHAAML Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)c1 ZINC000000786429 557080417 /nfs/dbraw/zinc/08/04/17/557080417.db2.gz JCHICBRDGFCIOY-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML Cc1ccc(OCc2ccc(C(=O)[N-]n3c(=O)c4ccccc4[n-]c3=S)o2)c(C)c1 ZINC000002792567 557764617 /nfs/dbraw/zinc/76/46/17/557764617.db2.gz CUUVSULSOWGUKR-UHFFFAOYSA-N -2 1 421.478 3.858 50 0 HHAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)c3ccccc32)cc1O ZINC000011635079 558264848 /nfs/dbraw/zinc/26/48/48/558264848.db2.gz SPSQFFULTQDCRE-UHFFFAOYSA-N -2 1 422.256 3.807 50 0 HHAAML COC(=O)C[C@@H](c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)c1c(C)[n-][nH]c1=O ZINC000095475430 568629728 /nfs/dbraw/zinc/62/97/28/568629728.db2.gz YBXOUTMYXRFZOM-LBPRGKRZSA-N -2 1 404.806 3.730 50 0 HHAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)c1C ZINC000012539047 568846545 /nfs/dbraw/zinc/84/65/45/568846545.db2.gz DCSYBMLMSKRLGJ-UHFFFAOYSA-N -2 1 417.512 3.687 50 0 HHAAML CCc1oc(=O)c(Cc2c([O-])c(CC=C(C)C)c(O)c(C(C)=O)c2O)c([O-])c1C ZINC000013373334 569052019 /nfs/dbraw/zinc/05/20/19/569052019.db2.gz ZOIAPLVBZQQHCG-UHFFFAOYSA-N -2 1 402.443 3.635 50 0 HHAAML CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1 ZINC000064580635 569068541 /nfs/dbraw/zinc/06/85/41/569068541.db2.gz XABZQEQBCKLDSQ-OAHLLOKOSA-N -2 1 418.515 3.821 50 0 HHAAML O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1cc(Cl)cc2c1OCC2 ZINC000170617696 569247845 /nfs/dbraw/zinc/24/78/45/569247845.db2.gz YJBAGTAVKTUZSW-UHFFFAOYSA-N -2 1 404.669 3.544 50 0 HHAAML Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2S[C@@H](C)C(=O)[O-])cc1 ZINC000008606693 571092173 /nfs/dbraw/zinc/09/21/73/571092173.db2.gz ZIPCOMALHKMNIL-ZDUSSCGKSA-N -2 1 402.497 3.783 50 0 HHAAML COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1Br ZINC000058425470 568699731 /nfs/dbraw/zinc/69/97/31/568699731.db2.gz ABAIQYYLFQAVPR-UHFFFAOYSA-N -2 1 420.668 3.610 50 0 HHAAML CCc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397607 569034938 /nfs/dbraw/zinc/03/49/38/569034938.db2.gz SPUWJEIGYMXBSA-UHFFFAOYSA-N -2 1 417.531 3.914 50 0 HHAAML Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397590 557534328 /nfs/dbraw/zinc/53/43/28/557534328.db2.gz FNQOTUWCWLOUTL-UHFFFAOYSA-N -2 1 403.504 3.660 50 0 HHAAML Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1Br ZINC000012525977 568843030 /nfs/dbraw/zinc/84/30/30/568843030.db2.gz OVRHDAYPHLNOQN-UHFFFAOYSA-N -2 1 404.669 3.910 50 0 HHAAML CCc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397434 569034839 /nfs/dbraw/zinc/03/48/39/569034839.db2.gz SNQHPOSUHNOLTB-UHFFFAOYSA-N -2 1 403.504 3.523 50 0 HHAAML C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000170594911 569241595 /nfs/dbraw/zinc/24/15/95/569241595.db2.gz ASLMHQCBUYMHKO-SNVBAGLBSA-N -2 1 405.369 3.909 50 0 HHAAML CCCOc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1Br ZINC000011614002 558264530 /nfs/dbraw/zinc/26/45/30/558264530.db2.gz MZVNNOWMTIXXPM-UHFFFAOYSA-N -2 1 414.277 3.737 50 0 HHAAML CC(C)(CC(=O)[O-])CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000028901301 558706930 /nfs/dbraw/zinc/70/69/30/558706930.db2.gz SFKCJFRWHRCCRW-UHFFFAOYSA-N -2 1 424.906 3.970 50 0 HHAAML Cc1cc2c([n-]c(=S)n([N-]C(=O)c3cc(Br)cs3)c2=O)s1 ZINC000017082328 558814298 /nfs/dbraw/zinc/81/42/98/558814298.db2.gz MZLGMWKSTXJZEB-UHFFFAOYSA-N -2 1 402.320 3.637 50 0 HHAAML COC(=O)C[C@H](c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)c1c(C)[n-][nH]c1=O ZINC000095475431 568629814 /nfs/dbraw/zinc/62/98/14/568629814.db2.gz YBXOUTMYXRFZOM-GFCCVEGCSA-N -2 1 404.806 3.730 50 0 HHAAML Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(N3CCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397423 569034865 /nfs/dbraw/zinc/03/48/65/569034865.db2.gz FTJPKVFFLIRLNV-UHFFFAOYSA-N -2 1 403.504 3.578 50 0 HHAAML CCCN(CCC)c1ncc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000035397393 569034907 /nfs/dbraw/zinc/03/49/07/569034907.db2.gz CFSYXSJUOIUMPB-UHFFFAOYSA-N -2 1 409.483 3.655 50 0 HHAAML Cc1cccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cccs3)c2)c1 ZINC000009492174 571262899 /nfs/dbraw/zinc/26/28/99/571262899.db2.gz ULHUCMCHDWCJFE-UHFFFAOYSA-N -2 1 422.553 3.967 50 0 HHAAML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)(C)C)c1 ZINC000045945968 523897847 /nfs/dbraw/zinc/89/78/47/523897847.db2.gz QGKLERSDRFVBMU-UHFFFAOYSA-N -2 1 404.488 3.733 50 0 HHAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCc3sccc3C2)c1 ZINC000032915905 526394670 /nfs/dbraw/zinc/39/46/70/526394670.db2.gz XQZQXXVOOJXKPL-UHFFFAOYSA-N -2 1 414.508 3.810 50 0 HHAAML Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001196235 557237692 /nfs/dbraw/zinc/23/76/92/557237692.db2.gz NYFKFHUEHQYNQP-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000000912897 558774841 /nfs/dbraw/zinc/77/48/41/558774841.db2.gz ULPMGUWKNSYGEL-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000033253891 568512099 /nfs/dbraw/zinc/51/20/99/568512099.db2.gz XMJZWIYOPVXCGL-UHFFFAOYSA-N -2 1 402.516 3.984 50 0 HHAAML CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000035397383 569034899 /nfs/dbraw/zinc/03/48/99/569034899.db2.gz JXALKFSWUQREBU-UHFFFAOYSA-N -2 1 405.520 3.824 50 0 HHAAML CC(C)CN(CC(C)C)c1ncc([N-]S(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000035397510 569034960 /nfs/dbraw/zinc/03/49/60/569034960.db2.gz IYECFNUATCLHLH-UHFFFAOYSA-N -2 1 405.520 3.699 50 0 HHAAML CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1 ZINC000032971153 518409114 /nfs/dbraw/zinc/40/91/14/518409114.db2.gz ISJLMRXDZACTTR-CQSZACIVSA-N -2 1 416.499 3.625 50 0 HHAAML O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(F)c3)c2)cc1 ZINC000001196852 557237964 /nfs/dbraw/zinc/23/79/64/557237964.db2.gz LWVNGZVIUIURMB-UHFFFAOYSA-N -2 1 414.414 3.577 50 0 HHAAML O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)OCCCO2 ZINC000010657364 558900822 /nfs/dbraw/zinc/90/08/22/558900822.db2.gz UDHJSSKVUBZJHC-UHFFFAOYSA-N -2 1 418.254 3.654 50 0 HHAAML Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])cc1F ZINC000225611236 568656782 /nfs/dbraw/zinc/65/67/82/568656782.db2.gz CWDSDNDYWLGYRM-UHFFFAOYSA-N -2 1 402.241 3.704 50 0 HHAAML Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2S[C@H](C)C(=O)[O-])cc1 ZINC000008606694 571092355 /nfs/dbraw/zinc/09/23/55/571092355.db2.gz ZIPCOMALHKMNIL-CYBMUJFWSA-N -2 1 402.497 3.783 50 0 HHAAML Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000000786436 557080478 /nfs/dbraw/zinc/08/04/78/557080478.db2.gz UUOQGDMVKSQTLM-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(F)c3)c2)c1 ZINC000000844930 557099005 /nfs/dbraw/zinc/09/90/05/557099005.db2.gz KTGGLLIBJAEZJG-UHFFFAOYSA-N -2 1 414.414 3.577 50 0 HHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)ccc1F ZINC000016154410 558773842 /nfs/dbraw/zinc/77/38/42/558773842.db2.gz MRYZDDGSCZGLIQ-UHFFFAOYSA-N -2 1 417.443 3.701 50 0 HHAAML CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000035397388 569034883 /nfs/dbraw/zinc/03/48/83/569034883.db2.gz GYKKKLGPLGMIQS-UHFFFAOYSA-N -2 1 405.520 3.769 50 0 HHAAML Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCC3)c(C(=O)[O-])c2)c(C)c1 ZINC000035397429 569034893 /nfs/dbraw/zinc/03/48/93/569034893.db2.gz GGOZFBQMSBHCTH-UHFFFAOYSA-N -2 1 403.504 3.578 50 0 HHAAML CCCN(CCC)c1ncc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000064843301 569107077 /nfs/dbraw/zinc/10/70/77/569107077.db2.gz CYLACPUDMIXTGO-UHFFFAOYSA-N -2 1 405.520 3.824 50 0 HHAAML CCC(CC)(CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000010172364 571295822 /nfs/dbraw/zinc/29/58/22/571295822.db2.gz GVMITWABFVDUJS-UHFFFAOYSA-N -2 1 422.478 3.846 50 0 HHAAML Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])cc1Cl ZINC000095961505 568670123 /nfs/dbraw/zinc/67/01/23/568670123.db2.gz PPPLXDIOQQELLP-UHFFFAOYSA-N -2 1 400.243 3.556 50 0 HHAAML Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnc(N2CCCCCCC2)c(C(=O)[O-])c1 ZINC000035397611 569034936 /nfs/dbraw/zinc/03/49/36/569034936.db2.gz UIEXJPWSUJQHFM-UHFFFAOYSA-N -2 1 421.494 3.799 50 0 HHAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)cc1 ZINC000003656741 569321293 /nfs/dbraw/zinc/32/12/93/569321293.db2.gz YWOUDFIQSSCSQI-UHFFFAOYSA-N -2 1 401.421 3.507 50 0 HHAAML CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1 ZINC000032971154 518409344 /nfs/dbraw/zinc/40/93/44/518409344.db2.gz ISJLMRXDZACTTR-AWEZNQCLSA-N -2 1 416.499 3.625 50 0 HHAAML CCCOc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1Br ZINC000011613993 558264621 /nfs/dbraw/zinc/26/46/21/558264621.db2.gz RZBXMJXXPGMELE-UHFFFAOYSA-N -2 1 414.277 3.737 50 0 HHAAML Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCC[C@H](C)C1 ZINC000033253967 558922196 /nfs/dbraw/zinc/92/21/96/558922196.db2.gz OFHOWPQRKYDIMS-ZDUSSCGKSA-N -2 1 406.479 3.869 50 0 HHAAML COc1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)[O-])cc1OC ZINC000006800746 568459693 /nfs/dbraw/zinc/45/96/93/568459693.db2.gz CYRFBJVYKIOCNO-UHFFFAOYSA-N -2 1 406.243 3.510 50 0 HHAAML Cc1cccc(OCc2ccc(C(=O)[N-]n3c(=O)c4ccccc4[n-]c3=S)o2)c1 ZINC000002793124 568810370 /nfs/dbraw/zinc/81/03/70/568810370.db2.gz YPFFGHRVUIILMT-UHFFFAOYSA-N -2 1 407.451 3.550 50 0 HHAAML COc1ccc([O-])c(C(=O)c2cc([S-])c3nc4sc(C)c(C)c4c(=O)n3c2)c1 ZINC000006084315 568996963 /nfs/dbraw/zinc/99/69/63/568996963.db2.gz CNQWQSKDNFEPPO-UHFFFAOYSA-N -2 1 412.492 3.760 50 0 HHAAML Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c(C)c1 ZINC000064843422 569106813 /nfs/dbraw/zinc/10/68/13/569106813.db2.gz ZWBJOBLUZOYNQI-UHFFFAOYSA-N -2 1 417.531 3.968 50 0 HHAAML O=C([O-])c1ccn(-c2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 ZINC000058158927 558904213 /nfs/dbraw/zinc/90/42/13/558904213.db2.gz OFAWZXOMEJETQS-UHFFFAOYSA-N -2 1 412.254 3.678 50 0 HHAAML O=S(=O)([N-]c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)c1cccs1 ZINC000003243391 560188920 /nfs/dbraw/zinc/18/89/20/560188920.db2.gz LZWUNZRMANFRAO-UHFFFAOYSA-N -2 1 405.341 3.861 50 0 in-vitro HHAAML Cc1ccc(S(=O)(=O)[N-]c2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000035397351 569034847 /nfs/dbraw/zinc/03/48/47/569034847.db2.gz GXTDIQYZWNFMRY-UHFFFAOYSA-N -2 1 411.483 3.525 50 0 HHAAML CCCCN(CC)c1ncc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000035397488 569034999 /nfs/dbraw/zinc/03/49/99/569034999.db2.gz CCXOGFBYZFDMKS-UHFFFAOYSA-N -2 1 405.520 3.824 50 0 HHAAML CCCCN(C)c1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000035397248 569034752 /nfs/dbraw/zinc/03/47/52/569034752.db2.gz IWBHAMFWAWHEDM-UHFFFAOYSA-N -2 1 405.520 3.742 50 0 HHAAML CCCOc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Br ZINC000011613983 558264617 /nfs/dbraw/zinc/26/46/17/558264617.db2.gz OFOYKAQTZIHFKT-UHFFFAOYSA-N -2 1 414.277 3.737 50 0 HHAAML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000060800486 559067708 /nfs/dbraw/zinc/06/77/08/559067708.db2.gz YJKXIEAQRQERFI-UHFFFAOYSA-N -2 1 408.451 3.618 50 0 HHAAML CSc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000013033078 560791577 /nfs/dbraw/zinc/79/15/77/560791577.db2.gz VKKXQEBSRFOVTC-UHFFFAOYSA-N -2 1 402.291 3.670 50 0 HHAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)c1 ZINC000000792987 568480428 /nfs/dbraw/zinc/48/04/28/568480428.db2.gz HWYRCKMZKKYIKE-UHFFFAOYSA-N -2 1 414.414 3.577 50 0 HHAAML CCCCN(C)c1ncc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000035397272 569034824 /nfs/dbraw/zinc/03/48/24/569034824.db2.gz ZYGRSAJCYWRBOD-UHFFFAOYSA-N -2 1 411.911 3.779 50 0 HHAAML CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000035397392 569034831 /nfs/dbraw/zinc/03/48/31/569034831.db2.gz AJNTWYPAQPDOCB-UHFFFAOYSA-N -2 1 421.519 3.606 50 0 HHAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)/C=C\c3cccc(O)c3)cc2)cc1 ZINC000096766005 969050893 /nfs/dbraw/zinc/05/08/93/969050893.db2.gz IUTUMVHAYQIDMV-PQMHYQBVSA-N -2 1 423.446 3.787 50 0 HHAAML C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000032971148 524106803 /nfs/dbraw/zinc/10/68/03/524106803.db2.gz MOJICZOPMBWDIO-LBPRGKRZSA-N -2 1 410.442 3.700 50 0 HHAAML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000058518908 558928360 /nfs/dbraw/zinc/92/83/60/558928360.db2.gz VYTQPDLQVCKJLP-UHFFFAOYSA-N -2 1 404.488 3.733 50 0 HHAAML CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000035397493 569034962 /nfs/dbraw/zinc/03/49/62/569034962.db2.gz WGUVHTFPAPTKOV-UHFFFAOYSA-N -2 1 405.520 3.824 50 0 HHAAML O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000003015217 960476833 /nfs/dbraw/zinc/47/68/33/960476833.db2.gz IMQXNLXFMIABRV-UHFFFAOYSA-N -2 1 414.414 3.577 50 0 HHAAML Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000000754854 557076608 /nfs/dbraw/zinc/07/66/08/557076608.db2.gz VJJAHPPYVAQPER-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000001196401 557238020 /nfs/dbraw/zinc/23/80/20/557238020.db2.gz NBYSICSWAZYNCK-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000003022564 557442194 /nfs/dbraw/zinc/44/21/94/557442194.db2.gz YAJLGJSVACKBJX-UHFFFAOYSA-N -2 1 414.414 3.577 50 0 HHAAML O=C([O-])c1cccc(-c2ccc(CN[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)c1 ZINC000012900934 558483666 /nfs/dbraw/zinc/48/36/66/558483666.db2.gz ZYUAMZZRLTXDDM-FQEVSTJZSA-N -2 1 404.422 3.912 50 0 biogenic HHAAML CCCN(CCC)c1ncc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000035397398 569034857 /nfs/dbraw/zinc/03/48/57/569034857.db2.gz LZQITOGPLMOUGQ-UHFFFAOYSA-N -2 1 405.520 3.824 50 0 HHAAML CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000035397501 569034927 /nfs/dbraw/zinc/03/49/27/569034927.db2.gz JNZVMMRXBAWXRS-UHFFFAOYSA-N -2 1 421.519 3.606 50 0 HHAAML Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1C ZINC000035397602 569034964 /nfs/dbraw/zinc/03/49/64/569034964.db2.gz JZDJIEBNEMANLH-UHFFFAOYSA-N -2 1 417.531 3.968 50 0 HHAAML CCCCN(CC)c1ncc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000035397507 569034983 /nfs/dbraw/zinc/03/49/83/569034983.db2.gz HWEUXOOSRGDERT-UHFFFAOYSA-N -2 1 405.520 3.824 50 0 HHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCCCCC2)ccc1O ZINC000013038242 569407731 /nfs/dbraw/zinc/40/77/31/569407731.db2.gz MKTNATPXEDKHLI-UHFFFAOYSA-N -2 1 424.906 3.925 50 0 HHAAML CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c2ccccc12 ZINC000001427449 557261845 /nfs/dbraw/zinc/26/18/45/557261845.db2.gz LLAPLSBIDAUTBY-UHFFFAOYSA-N -2 1 401.440 3.503 50 0 HHAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1 ZINC000060738720 559060632 /nfs/dbraw/zinc/06/06/32/559060632.db2.gz KHJBWKHSUGPHHA-UHFFFAOYSA-N -2 1 411.414 3.868 50 0 HHAAML Cc1nc(SCC(=O)Nc2cccc(C(=O)[O-])c2)[n-]c(=O)c1Cc1ccccc1 ZINC000035339586 569033427 /nfs/dbraw/zinc/03/34/27/569033427.db2.gz XNDDBAUJWSTSLS-UHFFFAOYSA-N -2 1 409.467 3.510 50 0 HHAAML Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc(N2CCCCCC2)c(C(=O)[O-])c1 ZINC000035397445 569034873 /nfs/dbraw/zinc/03/48/73/569034873.db2.gz JKUCJKZAFISFCW-UHFFFAOYSA-N -2 1 423.922 3.923 50 0 HHAAML CCCCN(C)c1ncc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000064843223 569107104 /nfs/dbraw/zinc/10/71/04/569107104.db2.gz VZQRADRSRLOMFW-UHFFFAOYSA-N -2 1 405.520 3.940 50 0 HHAAML Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000064843263 569107079 /nfs/dbraw/zinc/10/70/79/569107079.db2.gz NQBSSVWDMAEXJH-UHFFFAOYSA-N -2 1 423.922 3.779 50 0 HHAAML Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000058281969 558916445 /nfs/dbraw/zinc/91/64/45/558916445.db2.gz AAEDKHRZYHTNHT-UHFFFAOYSA-N -2 1 401.843 3.832 50 0 HHAAML Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000002952626 557430409 /nfs/dbraw/zinc/43/04/09/557430409.db2.gz QOJYHVNMAJJEGX-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000033253997 568512113 /nfs/dbraw/zinc/51/21/13/568512113.db2.gz MJVMMSOWYYJODA-UHFFFAOYSA-N -2 1 406.504 3.821 50 0 HHAAML Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001505407 569006740 /nfs/dbraw/zinc/00/67/40/569006740.db2.gz HPCOVDFQPGGQFV-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000657010 557041669 /nfs/dbraw/zinc/04/16/69/557041669.db2.gz CZACJESJAYSYAO-UHFFFAOYSA-N -2 1 424.450 3.566 50 0 HHAAML CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000035397497 557544376 /nfs/dbraw/zinc/54/43/76/557544376.db2.gz XONMMCAUXWMLTK-UHFFFAOYSA-N -2 1 405.520 3.769 50 0 HHAAML O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000013340804 560804769 /nfs/dbraw/zinc/80/47/69/560804769.db2.gz CVUDKFMZZGEYQP-UHFFFAOYSA-N -2 1 408.632 3.741 50 0 HHAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000018995310 568745038 /nfs/dbraw/zinc/74/50/38/568745038.db2.gz GOQLSDJFSZFYKC-UHFFFAOYSA-N -2 1 413.480 3.870 50 0 HHAAML CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000035397333 569034879 /nfs/dbraw/zinc/03/48/79/569034879.db2.gz GNURQCIFOLANAA-UHFFFAOYSA-N -2 1 417.531 3.940 50 0 HHAAML Cc1cccc(S(=O)(=O)[N-]c2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397616 569034986 /nfs/dbraw/zinc/03/49/86/569034986.db2.gz IZQHXZZLGYUONV-UHFFFAOYSA-N -2 1 403.504 3.660 50 0 HHAAML Cc1nnc(SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)[O-])[nH]1 ZINC000006129865 560739903 /nfs/dbraw/zinc/73/99/03/560739903.db2.gz PWRXMDIWLVSXSY-YVLHZVERSA-N -2 1 411.439 3.608 50 0 HHAAML Cc1nc(SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)[O-])n[nH]1 ZINC000006129865 560739904 /nfs/dbraw/zinc/73/99/04/560739904.db2.gz PWRXMDIWLVSXSY-YVLHZVERSA-N -2 1 411.439 3.608 50 0 HHAAML Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000021883351 568758094 /nfs/dbraw/zinc/75/80/94/568758094.db2.gz JJDCLDXXRIXEKK-UHFFFAOYSA-N -2 1 417.531 3.742 50 0 HHAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3sccc3C2)cc1 ZINC000084507050 568949947 /nfs/dbraw/zinc/94/99/47/568949947.db2.gz RJBJMXMIDNFOKA-UHFFFAOYSA-N -2 1 414.508 3.810 50 0 HHAAML CC(C)CN(CC(C)C)c1ncc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000035397508 571316672 /nfs/dbraw/zinc/31/66/72/571316672.db2.gz JXOADFYVPYRDBB-UHFFFAOYSA-N -2 1 423.510 3.838 50 0 HHAAML Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000000823267 557092889 /nfs/dbraw/zinc/09/28/89/557092889.db2.gz BSANYHAHOLTZCL-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000000797222 568482658 /nfs/dbraw/zinc/48/26/58/568482658.db2.gz QMAQAFLAXSBHTF-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML Cc1cccc(S(=O)(=O)[N-]c2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000035397366 569034851 /nfs/dbraw/zinc/03/48/51/569034851.db2.gz QJWHCAHXTLIUPL-UHFFFAOYSA-N -2 1 411.483 3.525 50 0 HHAAML CCCCN(C)c1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000035397259 569034903 /nfs/dbraw/zinc/03/49/03/569034903.db2.gz CIYUDXPCXIHSMR-UHFFFAOYSA-N -2 1 417.531 3.696 50 0 HHAAML CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000032971113 518409098 /nfs/dbraw/zinc/40/90/98/518409098.db2.gz QMJBNGPVPPOKGG-UHFFFAOYSA-N -2 1 416.499 3.625 50 0 HHAAML Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000001196209 558775990 /nfs/dbraw/zinc/77/59/90/558775990.db2.gz RCWFWNYUBFNRRX-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000033253899 558922001 /nfs/dbraw/zinc/92/20/01/558922001.db2.gz BKRAKRYIUOTRRQ-UHFFFAOYSA-N -2 1 414.458 3.961 50 0 HHAAML Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCC(C)CC1 ZINC000033253894 558922013 /nfs/dbraw/zinc/92/20/13/558922013.db2.gz DRUVARZDSFTIKM-UHFFFAOYSA-N -2 1 406.479 3.869 50 0 HHAAML CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1 ZINC000033253962 558922158 /nfs/dbraw/zinc/92/21/58/558922158.db2.gz IUFSWYMSGJZZDL-OAHLLOKOSA-N -2 1 402.516 3.984 50 0 HHAAML O=C([O-])c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccccc2)cc1 ZINC000020619383 568638415 /nfs/dbraw/zinc/63/84/15/568638415.db2.gz ISMLBMOCJICDPO-RWEWTDSWSA-N -2 1 414.417 3.999 50 0 HHAAML Cc1c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cnn1-c1ccccc1F ZINC000253424320 569368041 /nfs/dbraw/zinc/36/80/41/569368041.db2.gz DLTJIPRPZVGUMV-UHFFFAOYSA-N -2 1 415.368 3.845 50 0 HHAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c3c2CCC3)c1C ZINC000040146659 571196384 /nfs/dbraw/zinc/19/63/84/571196384.db2.gz BOXJMYSBWUSYOG-UHFFFAOYSA-N -2 1 411.483 3.681 50 0 HHAAML COc1ccc([N-]S(=O)(=O)c2ccc3oc([N-]c4cc(C)on4)nc3c2)cc1 ZINC000009366064 571252050 /nfs/dbraw/zinc/25/20/50/571252050.db2.gz HOPRRKJRFHWUHI-UHFFFAOYSA-N -2 1 400.416 3.677 50 0 HHAAML O=C([O-])c1cccc(-c2ccc(CN[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)c1 ZINC000012900927 558483701 /nfs/dbraw/zinc/48/37/01/558483701.db2.gz ZYUAMZZRLTXDDM-HXUWFJFHSA-N -2 1 404.422 3.912 50 0 biogenic HHAAML Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCC[C@@H](C)C1 ZINC000033253966 558922273 /nfs/dbraw/zinc/92/22/73/558922273.db2.gz OFHOWPQRKYDIMS-CYBMUJFWSA-N -2 1 406.479 3.869 50 0 HHAAML O=C([N-]n1c(=O)c2cc(Cl)ccc2[n-]c1=S)c1cccnc1Oc1ccccc1 ZINC000100253525 559133393 /nfs/dbraw/zinc/13/33/93/559133393.db2.gz IZRRQHZNPDQGJK-UHFFFAOYSA-N -2 1 424.869 3.910 50 0 HHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1Br ZINC000016129944 560859732 /nfs/dbraw/zinc/85/97/32/560859732.db2.gz ZVGAVOVFRHQBQV-UHFFFAOYSA-N -2 1 408.632 3.741 50 0 HHAAML O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000095953136 568668095 /nfs/dbraw/zinc/66/80/95/568668095.db2.gz DHQWPTZBZNPHSR-UHFFFAOYSA-N -2 1 424.194 3.967 50 0 HHAAML Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1C(=O)[O-] ZINC000012652163 568906756 /nfs/dbraw/zinc/90/67/56/568906756.db2.gz OJCZPAROWXRFEP-UHFFFAOYSA-N -2 1 417.512 3.704 50 0 HHAAML CCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000035397670 569034974 /nfs/dbraw/zinc/03/49/74/569034974.db2.gz URTDBPRAJDYKEL-UHFFFAOYSA-N -2 1 405.520 3.724 50 0 HHAAML CCCCN(C)c1ncc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000064843229 569107089 /nfs/dbraw/zinc/10/70/89/569107089.db2.gz QOLOOJJRQKSHEJ-UHFFFAOYSA-N -2 1 405.520 3.742 50 0 HHAAML C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000032971147 524246845 /nfs/dbraw/zinc/24/68/45/524246845.db2.gz MOJICZOPMBWDIO-GFCCVEGCSA-N -2 1 410.442 3.700 50 0 HHAAML CCc1cc2c([n-]c(=S)n([N-]C(=O)c3ccc(Br)s3)c2=O)s1 ZINC000017090518 558819092 /nfs/dbraw/zinc/81/90/92/558819092.db2.gz AMAFJIUOCVJKGO-UHFFFAOYSA-N -2 1 416.347 3.891 50 0 HHAAML C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000170594910 569241572 /nfs/dbraw/zinc/24/15/72/569241572.db2.gz ASLMHQCBUYMHKO-JTQLQIEISA-N -2 1 405.369 3.909 50 0 HHAAML Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCCC(=O)[O-])cc1 ZINC000008606699 571092412 /nfs/dbraw/zinc/09/24/12/571092412.db2.gz BCJIMOMPBMBBAM-UHFFFAOYSA-N -2 1 402.497 3.785 50 0 HHAAML O=S(=O)([N-]c1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001152302 557212073 /nfs/dbraw/zinc/21/20/73/557212073.db2.gz AZDGHBCHIHIHMJ-UHFFFAOYSA-N -2 1 422.915 3.942 50 0 HHAAML Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])c2)c1 ZINC000003154684 558780097 /nfs/dbraw/zinc/78/00/97/558780097.db2.gz LJTVDPOKWKJYBL-UHFFFAOYSA-N -2 1 410.451 3.746 50 0 HHAAML Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c(C)c1OCC(=O)[O-] ZINC000058267451 558915815 /nfs/dbraw/zinc/91/58/15/558915815.db2.gz OYXBDRAWCYDEPD-UHFFFAOYSA-N -2 1 418.515 3.558 50 0 HHAAML Cc1nnc(SC(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[O-])[nH]1 ZINC000006129834 569014111 /nfs/dbraw/zinc/01/41/11/569014111.db2.gz GRLWAWCWEBPNEF-VGOFMYFVSA-N -2 1 405.819 3.943 50 0 HHAAML Cc1nc(SC(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[O-])n[nH]1 ZINC000006129834 569014112 /nfs/dbraw/zinc/01/41/12/569014112.db2.gz GRLWAWCWEBPNEF-VGOFMYFVSA-N -2 1 405.819 3.943 50 0 HHAAML Cc1ccccc1S(=O)(=O)[N-]c1cnc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000035397361 569034817 /nfs/dbraw/zinc/03/48/17/569034817.db2.gz HZNZCZYAMNULHZ-UHFFFAOYSA-N -2 1 411.483 3.525 50 0 HHAAML Cc1cc(C)cc(S(=O)(=O)[N-]c2cnc(N3CCCCCC3)c(C(=O)[O-])c2)c1 ZINC000035397447 569034891 /nfs/dbraw/zinc/03/48/91/569034891.db2.gz OSCQQDUKPPXFLV-UHFFFAOYSA-N -2 1 403.504 3.578 50 0 HHAAML Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2)cs1 ZINC000006582350 569067935 /nfs/dbraw/zinc/06/79/35/569067935.db2.gz DVAKZABAHMNVBV-UHFFFAOYSA-N -2 1 402.497 3.937 50 0 HHAAML CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000064580629 569068587 /nfs/dbraw/zinc/06/85/87/569068587.db2.gz IYCKXGJEIZHHSD-UHFFFAOYSA-N -2 1 418.515 3.821 50 0 HHAAML