smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COCCN(C(=O)CCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1c(O)nc(=O)n(CC(C)C)c1N 514297270 YRHWCEWLXVUGMX-IBGZPJMESA-N 667.616 4.589 0 20 KJAD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1cc(Br)ccc1N1CCOCC1 514381906 BCQMCSYPNURENN-HXUWFJFHSA-N 576.492 4.593 0 20 KJAD O=S(=O)(c1cccc(-c2nnc(SCc3nnc(-c4ccco4)o3)n2C2CCCCCC2)c1)N1CCOCC1 514292056 KGUYNNAKHOKADB-UHFFFAOYSA-N 570.697 4.797 0 20 KJAD C[C@@H](NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)c1cccs1 514292811 OHFZMIBKHUFZHL-MRXNPFEDSA-N 507.632 4.886 0 20 KJAD CCOC(=O)c1c(NC(=O)C2CCN(C(=O)C(C)C)CC2)sc(C(=O)Nc2ccc(C)cc2C)c1C 514402550 OXYKPEQGWJPGRC-UHFFFAOYSA-N 513.660 4.935 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)n2CC(C)C)c1 514374620 DDALPMHVAFCUOP-UHFFFAOYSA-N 640.754 4.840 0 20 KJAD COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 514385713 SBTNKRWAVZSSEN-UHFFFAOYSA-N 524.061 4.892 0 20 KJAD CCCCn1c(SCC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)nnc1[C@@H](CC)N(C)C 514290889 AYWQGTJBCVOIBD-MRXNPFEDSA-N 509.698 4.571 0 20 KJAD CCc1ccc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C(N)=O)cc1 1857791599 XZUKPAFXIPNPPA-QYPNAHHSSA-N 784.011 4.757 0 20 KJAD COCCCn1c(SCC(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1 514385376 GCAISOPTOFTFCO-UHFFFAOYSA-N 512.632 4.568 0 20 KJAD Cc1cc(NC(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)n(-c2ccc(Cl)cc2)n1 726138672 HMILTBUAOLVOQW-UHFFFAOYSA-N 500.003 4.558 0 20 KJAD CCCCN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F)c1c(O)nc(=O)n(CC(C)C)c1N 514293245 SLIUJFDWNRSNNS-UHFFFAOYSA-N 636.745 4.698 0 20 KJAD CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)N(CC)CC 514378864 YNTNLPKSNXXMPD-HXUWFJFHSA-N 576.568 4.913 0 20 KJAD O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 514393210 ROLPVWSYFSVEKZ-UHFFFAOYSA-N 527.509 4.921 0 20 KJAD COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 514293191 SBVLTONRKDJUNE-FQEVSTJZSA-N 555.981 4.677 0 20 KJAD Cc1cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1[C@@H]1CCS(=O)(=O)C1 514300388 NEUVGURGCGDTAO-OAHLLOKOSA-N 530.455 4.708 0 20 KJAD COCCCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O 514375407 OXWLKNBQDGMDGS-GOSISDBHSA-N 598.212 4.579 0 20 KJAD CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC)CC(=O)Nc1c(Cl)cccc1Cl 514297699 REMKSZNFZAFTJP-UHFFFAOYSA-N 522.351 4.937 0 20 KJAD COc1cc(-c2nnc(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)n2-c2ccccc2F)cc(OC)c1OC 514375416 OYTYIJVWZIBCPI-NRFANRHFSA-N 618.753 4.540 0 20 KJAD CC(C)COCCCNC(=O)c1cc(Br)c(C(=O)NCCCOCC(C)C)cc1Br 514401025 JHGUZNZJUVPTKH-UHFFFAOYSA-N 550.332 4.797 0 20 KJAD COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1 514300639 QJNCVDICHCTHRJ-RUZDIDTESA-N 549.697 4.623 0 20 KJAD C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 514377166 ZJAXHAGDQJQNFM-INIZCTEOSA-N 543.596 4.549 0 20 KJAD CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)nnc1-c1ccco1 514377564 AAQCVVVSYUYSLX-UHFFFAOYSA-N 587.646 4.795 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)NCCc3ccccc3OC)n2C2CCCCC2)c1 514386681 YERYTSHHRMLJNO-UHFFFAOYSA-N 509.676 4.864 0 20 KJAD CCCCN(C(=O)COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 514376386 JXRVJKHUONLOTR-OAQYLSRUSA-N 589.110 4.957 0 20 KJAD Cc1cc(/C=C/C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4c(Cl)cncc4s2)CC3)no1 1819936838 DTMSQCJHMYNDAC-PYEVWLCESA-N 500.005 4.642 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)n2C2CCCCC2)c1 514300274 NAINBJJHTLRJFD-UHFFFAOYSA-N 507.616 4.710 0 20 KJAD O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1 514385533 KTIIIBYFCHSCCZ-LJQANCHMSA-N 520.680 4.684 0 20 KJAD COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1Cl 514290899 AVTUVLOVHXVDTP-OAQYLSRUSA-N 589.110 4.813 0 20 KJAD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 514376631 DATYWOHWMXQQPF-UHFFFAOYSA-N 566.429 4.689 0 20 KJAD CN(Cc1ccccc1Br)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 514380452 NHRKCTXSXLWDCP-UHFFFAOYSA-N 519.383 4.527 0 20 KJAD CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CSc1nnc(C2CC2)n1CC 514386709 ZDTUVQJFYMSRBT-UHFFFAOYSA-N 509.632 4.956 0 20 KJAD CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)nnc1-c1cccc(Cl)c1 514375089 KOYWEFUGIQYDJU-UHFFFAOYSA-N 550.106 4.532 0 20 KJAD COc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1S(=O)(=O)N1CCCCC1 514296157 MJJBRHMDQXMVFS-UHFFFAOYSA-N 517.051 4.637 0 20 KJAD CCn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514381539 IPMWYFXIYJYYJP-UHFFFAOYSA-N 555.726 4.709 0 20 KJAD Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 514384876 VFLVUVBZCKJGLO-UHFFFAOYSA-N 512.697 4.828 0 20 KJAD CCOc1cccc2cc([C@@H](C)NC(=O)C3CCN(C(=O)CSc4ncnc5ccccc45)CC3)oc12 514385480 IQEHAUIMXMTKAW-GOSISDBHSA-N 518.639 4.983 0 20 KJAD COc1ccc(C(O[C@@H]2CO[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 253496104 DUUUIECLFYEGNZ-LLISZCHOSA-N 619.674 4.780 0 20 KJAD CC(C)[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 514404159 ALQTVVCHECVZPE-CCLHPLFOSA-N 547.681 4.982 0 20 KJAD CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 514378006 BODWIKFRWVOGBE-LJQANCHMSA-N 525.538 4.628 0 20 KJAD C[C@@H](OC[C@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc(Cl)cc1 514379337 QRMMKUIDBIFCCC-UTKZUKDTSA-N 538.091 4.795 0 20 KJAD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1)c1cc(C2CC2)on1 1815842519 OJRNTCHCTVEWMC-NSHDSACASA-N 500.005 4.811 0 20 KJAD O=C(OCc1nnsc1Cl)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 22033941 OEWRKQZJQXXDAS-UHFFFAOYSA-N 500.001 4.944 0 20 KJAD Cc1cccc(C)c1NC(=O)CCCSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 514381155 ZOEAHOWXHCEUDZ-UHFFFAOYSA-N 503.690 4.569 0 20 KJAD O=C(Nc1ccccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 514292892 PUBFXUIUNPSMMP-UHFFFAOYSA-N 512.495 4.540 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1)n2C 514404049 WQWYGLRRQUXVQM-UHFFFAOYSA-N 561.752 4.581 0 20 KJAD Cc1csc(Sc2ccc(NC(=O)c3cc(C4CC4)nc4c3c(O)nc(=O)n4C)cc2Cl)n1 588880480 QXNLUFCYIOIMOV-UHFFFAOYSA-N 500.005 4.733 0 20 KJAD Cc1ccc(-c2csc3nc(SCC(=O)Nc4c(C)n[nH]c4C)n(C[C@@H]4CCCO4)c(=O)c23)cc1 514376576 OEKOEJQGHUCKCX-SFHVURJKSA-N 509.657 4.683 0 20 KJAD CCCN(C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 514395838 VEOTWMUXIIPAFD-CRAIPNDOSA-N 554.525 4.542 0 20 KJAD COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nnc(-c2cccnc2)n1C 12089800 ZMSUIMVTGUETGQ-UHFFFAOYSA-N 500.005 4.776 0 20 KJAD CCCN(C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N)c1nc(-c2ccc(Cl)cc2Cl)cs1 514297247 YNAQVWBBZUWQBS-UHFFFAOYSA-N 625.579 4.820 0 20 KJAD CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 514388933 VQJDWNIDSUVBGN-APWZRJJASA-N 553.537 4.816 0 20 KJAD CCN(C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 514404425 HAHYVWXICXRBLG-JZCOGDJRSA-N 522.762 4.520 0 20 KJAD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 514390504 MAQJGPGWYWLWNZ-UHFFFAOYSA-N 566.429 4.900 0 20 KJAD COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1OC 514395663 PVYCLDZNQPETEX-MOPGFXCFSA-N 514.673 4.659 0 20 KJAD CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)cc1S(=O)(=O)N1CCCCC1 514303860 PUJKUBLNGRZUPX-UHFFFAOYSA-N 579.719 4.913 0 20 KJAD COCCCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514293967 VKLDBKOHENBGMZ-UHFFFAOYSA-N 624.167 4.768 0 20 KJAD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)n2)s1 514301198 WDISUVFXHMKFTC-IRXDYDNUSA-N 526.684 4.928 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)N3CCCc4cc(S(=O)(=O)N(C)C)ccc43)n2C2CCCCC2)c1 514390333 GNVJHWMAJWVLNX-UHFFFAOYSA-N 598.795 4.726 0 20 KJAD CCCn1c(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514391862 PHRCDRTXWNMWDN-XMMPIXPASA-N 554.713 4.544 0 20 KJAD C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccco1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 514394121 PYWARPYKGZEDEP-ZDUSSCGKSA-N 515.945 4.548 0 20 KJAD CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514402754 MGPYMYARLNGERG-KRWDZBQOSA-N 534.107 4.831 0 20 KJAD C[C@H](OC[C@@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc(Cl)cc1 514379336 QRMMKUIDBIFCCC-LAUBAEHRSA-N 538.091 4.795 0 20 KJAD COc1cc(-c2nnc(CSc3nc4ccccc4c(=O)n3CCN(C(C)C)C(C)C)o2)cc(OC)c1OC 514404545 HGUXCWNAHQGJND-UHFFFAOYSA-N 553.685 4.883 0 20 KJAD OCc1ccc[n+](/C(C(=S)NC23CC4CC(CC(C4)C2)C3)=C(/O)c2ccc(Br)cc2)c1 725761443 HBBMXKPCQFZOPB-UHFFFAOYSA-O 500.482 4.999 0 20 KJAD C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 514375522 RMTYJWYHNTWEEL-IFMALSPDSA-N 594.763 4.899 0 20 KJAD CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(SCC(=O)Nc3ccc(C(=O)N(CC)CC)cc3)s2)cc1 514294038 YTOCKZUNNHRRIF-UHFFFAOYSA-N 614.819 4.964 0 20 KJAD COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(OC)c1 514385653 PPVNSHYWRJHBSP-JOCHJYFZSA-N 501.421 4.682 0 20 KJAD CCCCCN(C(=O)CCC(=O)Nc1ccc(Br)cc1Cl)c1c(O)nc(=O)n(CCCC)c1N 514379835 ZOFKQELAVUOOKM-UHFFFAOYSA-N 556.889 4.689 0 20 KJAD Cc1cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)n1[C@H]1CCS(=O)(=O)C1 514300387 NEUVGURGCGDTAO-HNNXBMFYSA-N 530.455 4.708 0 20 KJAD COc1cc(-c2nnc(SCC(=O)N3CCC(c4nc5ccccc5s4)CC3)o2)cc(OC)c1OC 514385398 HDQDVIBENZPNAV-UHFFFAOYSA-N 526.640 4.870 0 20 KJAD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 514301821 DFKBWAUHRLWIGL-YLJYHZDGSA-N 513.689 4.787 0 20 KJAD CCOc1cc(-c2nnc(SCC(=O)N(C)Cc3ccc(OC)cc3)o2)cc(OCC)c1OCC 514375199 LWWHKDIAQLKTOU-UHFFFAOYSA-N 501.605 4.692 0 20 KJAD COc1cc(-c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2C2CCCCC2)cc(OC)c1OC 514391902 PXKDYAAZHWWHHR-UHFFFAOYSA-N 595.766 4.717 0 20 KJAD CC(=O)N(c1nnc(SCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)s1)C1CC1 514394636 QDQRGZJIXPYVPR-UHFFFAOYSA-N 512.682 4.956 0 20 KJAD CCN(C(C)=O)c1nc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cs1 514291860 JQFSNBAAJPPLBN-INIZCTEOSA-N 504.703 4.637 0 20 KJAD C[C@H]1CCCN(c2nnc(SCc3nnc(-c4ccc(Br)o4)o3)n2Cc2ccco2)C1 514394672 YSOCNORJYGVLFZ-ZDUSSCGKSA-N 505.398 4.854 0 20 KJAD COc1ccc([C@H]2CCCN2C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1OC 514395665 PVYCLDZNQPETEX-RBUKOAKNSA-N 514.673 4.659 0 20 KJAD COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@H](C)C(=O)Nc2ncccn2)cc1Cl 821723052 PGUVBZZCCWNKQV-KAECEXQPSA-N 500.005 4.704 0 20 KJAD O=C1COc2ccc(C(=O)CSc3nnc(CN4CCCCC4)n3-c3ccccc3C(F)(F)F)cc2N1 514303366 KSQQCACXDFVZLQ-UHFFFAOYSA-N 531.560 4.578 0 20 KJAD CCCn1c(CSc2nnc(-c3cccs3)n2C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 514383795 LQZFOFBJYSFNFF-UHFFFAOYSA-N 502.691 4.644 0 20 KJAD O=C(NCc1ccccc1CN1CCCC1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514387646 HGPQXKQXROXYCG-UHFFFAOYSA-N 599.389 4.525 0 20 KJAD CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1 514403614 ODHMSQNIVUNPOD-UHFFFAOYSA-N 502.662 4.623 0 20 KJAD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 514291733 GQZFEACPZJNDIT-UHFFFAOYSA-N 545.105 4.952 0 20 KJAD COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1OC 514402893 SPCJEQSHAXXRKX-SFHVURJKSA-N 503.024 4.521 0 20 KJAD O=C(N[C@@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1ccc2occ(Cl)c2c1 1817710105 ZFKNKLNBQPZQBS-GFCCVEGCSA-N 500.005 4.811 0 20 KJAD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 514301820 DFKBWAUHRLWIGL-XLIONFOSSA-N 513.689 4.787 0 20 KJAD Cc1ccc(-c2noc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3C3CCCC3)n2)cc1 514374656 FMMPHOFKHFFXIF-UHFFFAOYSA-N 566.709 4.732 0 20 KJAD CCCNC(=O)CSc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(OC)c(OC)c2)s1 514376349 JBGUIFRPVVMDPH-KRWDZBQOSA-N 577.779 4.705 0 20 KJAD COc1ccc(CN2CCN(C(=O)c3cc(-c4cccs4)nc4c3cnn4C(C)C)CC2)c(OC)c1OC 514391715 NJMAMWJSKOKCFG-UHFFFAOYSA-N 535.670 4.725 0 20 KJAD O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 514392804 CREJYSHPSSYHSY-UHFFFAOYSA-N 518.561 4.643 0 20 KJAD CCCCn1c(CCC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514385840 WLMGCOMKOGQUTF-MHZLTWQESA-N 568.740 4.552 0 20 KJAD COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nc2ccccc2c(=O)n1C 24786482 FBGJJIAWWQTLGQ-UHFFFAOYSA-N 500.001 4.833 0 20 KJAD CC[C@H](c1nnc(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)n1CCN1CCOCC1)N(C)C 514382323 JHUKPHNJMXPJOK-OAQYLSRUSA-N 564.785 4.720 0 20 KJAD CCCCn1c(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc(C)c(C)c2c1=O 514303841 OYDGHPYLTQBCKH-SFHVURJKSA-N 525.700 4.792 0 20 KJAD O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1OCc1cscn1 750866350 DHNDRUBGRINSCC-RGVLZGJSSA-N 500.001 4.842 0 20 KJAD O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 514385109 YWJSWIZUTOPBCE-UHFFFAOYSA-N 538.408 4.665 0 20 KJAD Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)NCC1(N2CCCCC2)CCCCC1 514296406 KSPJFDBUBPZWNS-UHFFFAOYSA-N 579.767 4.512 0 20 KJAD CN(C(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)C(c1ccccc1)c1ccccc1 514304470 VNZUWLRISBWHCR-DEOSSOPVSA-N 505.688 4.788 0 20 KJAD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 514377219 NQXGEMUJLNIHTM-MRXNPFEDSA-N 552.744 4.703 0 20 KJAD CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 514393164 PWKVDOOBAPPFOC-UHFFFAOYSA-N 567.630 4.770 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)n2C 514293238 UATBJNHYOGGLML-UHFFFAOYSA-N 511.475 4.502 0 20 KJAD CCCCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 514387456 HUVBIYKEYIFLRZ-UHFFFAOYSA-N 531.473 4.999 0 20 KJAD CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514395866 VXMHGVBNOZKBHV-QGZVFWFLSA-N 531.729 4.591 0 20 KJAD C[C@@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)c1ccccc1Cl 514375323 OLWICGUBTZSNQO-LJQANCHMSA-N 590.171 4.704 0 20 KJAD CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 514291805 IQZZYLAERNLAJW-QFIPXVFZSA-N 525.650 4.541 0 20 KJAD COc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ccc1OC(F)F 514293177 RLNUCQYLKSFNLA-UHFFFAOYSA-N 537.412 4.663 0 20 KJAD CC[C@H](c1nnc(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)n1CCN1CCOCC1)N(C)C 514293447 RVMKJBFEBGJFDB-JOCHJYFZSA-N 564.181 4.710 0 20 KJAD COc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1OC 514394928 WSESTPMONFYHNY-NRFANRHFSA-N 501.421 4.682 0 20 KJAD CC(C)Cn1c(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)nnc1N1CCOCC1 514405627 YZZXKXUVSRFRRJ-NRFANRHFSA-N 534.642 4.580 0 20 KJAD Ic1cc(OCCO[C@@H]2CCCCO2)c(I)cc1OCCO[C@@H]1CCCCO1 261507600 KDFFEXNJPJISDK-WOJBJXKFSA-N 618.246 4.740 0 20 KJAD CCOc1cc(-c2nnc(SCC(=O)Nc3ccnn3C3CCCC3)o2)cc(OCC)c1OCC 514374458 CRGKAGWAQHFKHR-UHFFFAOYSA-N 501.609 4.975 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)n2C[C@H]2CCCO2)cc1 514385823 WCGHJTDCMUJLHF-GJZUVCINSA-N 538.670 4.510 0 20 KJAD CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 514293876 UMQRYCULWJPAOE-FQEVSTJZSA-N 506.550 4.615 0 20 KJAD C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 514299206 CQCQEOYBHHCHRN-QGZVFWFLSA-N 531.729 4.559 0 20 KJAD CC(=O)NCCc1ccc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc1 514384126 MAFXWXAXBZFNAS-UHFFFAOYSA-N 543.640 4.508 0 20 KJAD CCOc1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1S(=O)(=O)N1CCOCC1 514392786 BUCMGQXLKINLBM-UHFFFAOYSA-N 567.668 4.561 0 20 KJAD C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 514395174 DUPUWGRZYDPYQG-HZPDHXFCSA-N 534.107 4.719 0 20 KJAD CCOC(=O)c1sc2[nH]c(CSCCC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)nc(=O)c2c1C 514404299 BDEHTQXULZAGGN-UHFFFAOYSA-N 566.709 4.717 0 20 KJAD COc1ccc(NS(=O)(=O)c2cc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)ccc2OC)cc1Br 514404380 FNRWEPSUIYXGCC-AALNIOGOSA-N 579.513 4.927 0 20 KJAD CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)CC1 514376317 HPSZEOISWBVHGG-SFHVURJKSA-N 513.063 4.929 0 20 KJAD C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 514382957 CSSIWISUUDEHDB-KRWDZBQOSA-N 505.566 4.940 0 20 KJAD CCCCn1c(CSc2nnc(C(C)C)n2Cc2ccco2)nc2c1c(O)nc(=O)n2Cc1ccccc1 514391625 MJWGGICDUMLREB-UHFFFAOYSA-N 533.658 4.796 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3Cl)n2[C@H](C)COC)c1 514292477 LDFVPFHLOLCRKI-MRXNPFEDSA-N 570.112 4.706 0 20 KJAD CCCN(C(=O)[C@H](C)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 514396019 ZFIXRISMVLBDNO-NNWRFLSQSA-N 589.805 4.519 0 20 KJAD CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514297184 QMKWMYIUUZBOEN-UHFFFAOYSA-N 544.309 4.661 0 20 KJAD Cc1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 589443142 DSJKNXDQUJAIOE-UHFFFAOYSA-N 500.005 4.544 0 20 KJAD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 514387664 HVQGSRUGTXSTKA-UHFFFAOYSA-N 579.719 4.913 0 20 KJAD CCCn1c(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)nc2cc(S(=O)(=O)N(C)C)ccc21 514402079 DQDDQUKLNYNPMB-HXUWFJFHSA-N 558.705 4.566 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)C)n2[C@H](C)COC)c1 514374850 ZCDLUHKHUWRIAR-JOCHJYFZSA-N 573.785 4.712 0 20 KJAD C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 514404451 DCTNJPGOZZGPNH-LJQANCHMSA-N 507.660 4.511 0 20 KJAD Cc1ccc(-n2cnnc2SCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1Cl 409647738 KUZUJOHIFNCOHW-UHFFFAOYSA-N 500.005 4.855 0 20 KJAD COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(COc3ccccc3)n1CCC(C)C)CC2 514386311 KDLMHPONKIYGNL-UHFFFAOYSA-N 510.660 4.597 0 20 KJAD CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3[C@H](C(=O)O)[C@@H]2C1 1857777024 JQACEEWDPYQFGJ-YBTKJZEMSA-N 518.610 4.681 0 20 KJAD O=C(CSc1ccccc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 514293736 XGVJKNKZZPKMST-KQJRQYMHSA-N 551.728 4.806 0 20 KJAD CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 514301818 DFKBWAUHRLWIGL-FXAWDEMLSA-N 513.689 4.787 0 20 KJAD O=C(CSc1ncnc2ccccc12)N1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)CC1 514377241 OOGDXMPQLAWVQA-UHFFFAOYSA-N 563.083 4.855 0 20 KJAD Cc1c(-n2c(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2Br)c(=O)n(-c2ccccc2)n1C 514384788 XDVRJQNASGFYBK-HSZRJFAPSA-N 685.670 4.545 0 20 KJAD CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(CNC(=O)C45CC6CC(CC(C6)C4)C5)cc3)sc2c1 514402515 AZUKKJIZXYDEFH-UHFFFAOYSA-N 523.680 4.785 0 20 KJAD C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc(Br)cc1 514375412 PSVHRUNQHLTVJI-RHSMWYFYSA-N 507.479 4.918 0 20 KJAD COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1 514386640 WJIJKBGVPDAYOM-HOTGVXAUSA-N 504.056 4.530 0 20 KJAD COc1ccc(Cl)cc1CN(C)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 514389000 XFHBTYYVRJERLV-UHFFFAOYSA-N 505.851 4.715 0 20 KJAD Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(COc3ccccc3)n2CCC(C)C)c(C)c1 514405035 QRUNADVFFDAAKC-UHFFFAOYSA-N 509.676 4.675 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(Br)cc3)n2[C@@H](C)COC)c1 514374231 NXBJPGMPWLSBLC-OALUTQOASA-N 624.627 4.915 0 20 KJAD O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 642604996 HYDOTMGIXHZJFT-UHFFFAOYSA-N 500.002 4.681 0 20 KJAD CC(C)NC(=O)CNC(=S)/C(=C(/O)c1ccc2c(c1)CCCC2)[n+]1ccc(Cc2ccccc2)cc1 727419126 TWRROLDFCSXUMH-UHFFFAOYSA-O 500.688 4.769 0 20 KJAD CCOC(=O)CSc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)s1 29392615 YMYQAERCYLYDBO-UHFFFAOYSA-N 500.005 4.952 0 20 KJAD CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 514291803 IQZZYLAERNLAJW-JOCHJYFZSA-N 525.650 4.541 0 20 KJAD CC(=O)NCCc1ccc(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC(C)C)cc1 514384722 TUZIKTMITDWXGF-UHFFFAOYSA-N 516.063 4.519 0 20 KJAD O/C(=C(/C(=S)Nc1ccc2c(c1)OCCCO2)[n+]1cccc(O)c1)c1ccc(Br)cc1 727417710 KYRTVFNVVSAPGA-UHFFFAOYSA-O 500.394 4.927 0 20 KJAD O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC1CCN(C(=O)c2ccncc2)CC1 108171232 HSUACCVWYLEZRY-UHFFFAOYSA-N 500.002 4.551 0 20 KJAD CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 514392496 WWEGNWOPKZENPH-JOCHJYFZSA-N 538.939 4.689 0 20 KJAD O=C1N[C@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)Nc2ccc(N3CCOCC3)cc21 917499800 MKAVGYBHLREIHO-HHHXNRCGSA-N 500.002 4.943 0 20 KJAD Cn1cnnc1Sc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 494949592 ZIGAARJQUVOCGT-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD CCCCN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N 514304376 SJDWLVPJTKBHEU-JOCHJYFZSA-N 540.064 4.535 0 20 KJAD CC1CCN(c2nnc(SCC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)n2C[C@H]2CCCO2)CC1 514393166 PXWMYZICQQKANK-QPPBQGQZSA-N 529.707 4.892 0 20 KJAD CCOc1c(Br)cc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 514393578 GJQMCUMTPJUARK-UHFFFAOYSA-N 543.867 4.743 0 20 KJAD Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@@H](OCc4ccccc4)[C@H](COCc4ccccc4)[C@@H]3O)c2n1 575625537 SYPCZZWUNIHLBU-ODNCNNFYSA-N 551.647 4.712 0 20 KJAD in-vitro Cc1c(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(=O)n(-c2ccccc2)n1C 514380106 FIBUXYJNUQNUQB-YCRNBWNJSA-N 506.672 4.770 0 20 KJAD O=C(CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1)NCCCN1CCCC1=O 514384776 WTTAIHNNUKTMMI-UHFFFAOYSA-N 538.640 4.635 0 20 KJAD Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnc(-c4ccccc4Cl)s3)cc2)nc(C)n1 622682470 WTSJOMUVLHAIJN-UHFFFAOYSA-N 500.005 4.923 0 20 KJAD CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 514378903 YYEGQJUSEQWKHL-UHFFFAOYSA-N 512.550 4.736 0 20 KJAD CC1CCN(S(=O)(=O)c2ccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cc2)CC1 514377268 PPTUKGWCCIAKRM-UHFFFAOYSA-N 517.051 4.861 0 20 KJAD CCn1c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 514293458 VAUAMYLQJWMLOB-UHFFFAOYSA-N 552.726 4.764 0 20 KJAD CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 514293461 RBIXCMJDIRKFOJ-UHFFFAOYSA-N 503.690 4.509 0 20 KJAD CCOC(=O)c1sc2[nH]c(CSCCC(=O)N(C)Cc3ccc(Br)cc3)nc(=O)c2c1C 514293720 WXNZZCSXJVFDOB-UHFFFAOYSA-N 538.489 4.514 0 20 KJAD Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)s2)c(=O)n(-c2ccccc2)n1C 514299060 CTXLQVBWEOFVPT-VWPQPMDRSA-N 663.826 4.876 0 20 KJAD CCCCN(C(=O)COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 514376385 JXRVJKHUONLOTR-NRFANRHFSA-N 589.110 4.957 0 20 KJAD O=C(COC(=O)CCn1cnc2sccc2c1=O)Nc1ccccc1Sc1ccc(Cl)cc1 12871591 LJXNBSHSGQRFDL-UHFFFAOYSA-N 500.001 4.835 0 20 KJAD Cc1ccc(N(CCC(=O)N2CCC(C(=O)N3CCCCC3)CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 514379671 CRUIRKZBQLRSSG-UHFFFAOYSA-N 565.658 4.850 0 20 KJAD Cc1sc2nc(CN3CCN([C@H](C)c4nc(O)c5c6c(sc5n4)C[C@@H](C)CC6)CC3)nc(O)c2c1C 514390985 XJBALIJWYDIZKD-DZGCQCFKSA-N 524.716 4.728 0 20 KJAD COc1cc(NC(=O)CSc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccco2)c(OC)cc1Cl 514393636 IAXKWVMCPPILGN-HOTGVXAUSA-N 520.055 4.803 0 20 KJAD COc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)c(O)c4)cc3)c2cc1OC 2048532392 JLAJBDBGSZPCRA-UHFFFAOYSA-N 517.513 4.819 0 20 KJAD CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1 199979377 WVORGVRHMQFKTN-OYECXLMJSA-N 798.695 4.798 0 20 KJAD CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 514291564 GZGFZFBOXQIAMO-MRXNPFEDSA-N 503.024 4.522 0 20 KJAD CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 514300347 PHVPQGVEDHXDDE-UHFFFAOYSA-N 548.712 4.600 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12 514375628 STQQBSFBGDACID-UHFFFAOYSA-N 551.669 4.564 0 20 KJAD CCCOc1ccc(NC(=O)NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1OCCC 514383825 MIMVYYZOFQIQOD-NRFANRHFSA-N 528.587 4.600 0 20 KJAD C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 514395173 DUPUWGRZYDPYQG-HOTGVXAUSA-N 534.107 4.719 0 20 KJAD CC(=O)c1sc2[nH]c(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3C3CCCCCC3)nc(=O)c2c1C 514375138 LRYFWFIQRCGOPS-UHFFFAOYSA-N 642.829 4.963 0 20 KJAD CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 514388081 ULNINCZMBUSCIO-UHFFFAOYSA-N 535.954 4.860 0 20 KJAD Cc1cc(/C=C/C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5c(Cl)cncc5s4)sc3C2)no1 1815846294 BLTVXSOUQUGKPB-PYEVWLCESA-N 500.005 4.642 0 20 KJAD CC(C)[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)N(C)c1ccccc1 514403495 ZHDGURGZIMHWOA-QFIPXVFZSA-N 514.673 4.691 0 20 KJAD O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(CSc2nc[nH]n2)cc1 490172031 BNDNZDMVHXMBHD-UHFFFAOYSA-N 500.005 4.804 0 20 KJAD CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 514291554 GZGFZFBOXQIAMO-INIZCTEOSA-N 503.024 4.522 0 20 KJAD COc1cc(-c2nnc(S[C@@H](C)C(=O)NCC(F)(F)F)n2C2CCCCC2)cc(OC)c1OC 514374984 JEMRXTCBOGIKMC-ZDUSSCGKSA-N 502.559 4.635 0 20 KJAD Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(COc2ccccc2)n1CCC(C)C 514376052 ATMZOEGROXKLAS-NRFANRHFSA-N 509.676 4.756 0 20 KJAD COc1cc(NC(=O)CSc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)c(OC)cc1Cl 514393637 IAXKWVMCPPILGN-HZPDHXFCSA-N 520.055 4.803 0 20 KJAD O=C(CSc1ccccc1C(=O)Nc1ccc(CN2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 514300608 PJFYRJMIGBENDN-UHFFFAOYSA-N 519.711 4.948 0 20 KJAD CCCCn1c(CCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514395316 HSSKGKUYGYUKMB-UHFFFAOYSA-N 575.735 4.587 0 20 KJAD CCc1cccc[n+]1/C(C(=S)Nc1ccc(OC)c(F)c1)=C(/O)c1ccc(CCNC(C)=O)s1 726575877 XOPFXOKFCVONFM-UHFFFAOYSA-O 500.641 4.748 0 20 KJAD CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)o1 514300670 PTVCTMKXYFBDGZ-UHFFFAOYSA-N 530.672 4.819 0 20 KJAD O=C(CSc1nnc(-c2cccs2)o1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 514376076 BEMHRPHMSMAQHS-UHFFFAOYSA-N 513.066 4.747 0 20 KJAD O=C(CN1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CC1)Nc1ccccc1C(F)(F)F 514386351 LOYYTOLMXZNBER-UHFFFAOYSA-N 583.640 4.655 0 20 KJAD COc1cc(NC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)cc(OC)c1OC 514297159 NZKVNRCNLMSCSV-GOSISDBHSA-N 511.648 4.571 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)c3nc(O)c4c(C)c(C)sc4n3)o2)c1 514374316 ABCKKVVQCGFZQN-AWEZNQCLSA-N 519.674 4.948 0 20 KJAD O=C(CSc1nc(O)c2c(-c3ccc(F)cc3)csc2n1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 514383808 LVNCUUOFCOJHTC-SFHVURJKSA-N 535.688 4.644 0 20 KJAD Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C 514290884 AYBONXLWNSLJAN-QGZVFWFLSA-N 501.052 4.558 0 20 KJAD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1C 514300361 LZXBXBWDURZXBI-XMMPIXPASA-N 556.501 4.564 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)n2c1 514301897 GPVJJDZMFGAQIC-LBPRGKRZSA-N 536.001 4.551 0 20 KJAD N=c1nc(OCc2ccccc2)c2ncn([C@@H]3[C@@H](O)C[C@H](COCc4ccccc4)[C@H]3COCc3ccccc3)c2[nH]1 2048529054 CQQSJHUZQAWLPQ-LWFIHPCQSA-N 565.674 4.790 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)sc(C(=O)N(C)C)c1C 514290826 CCPHLOBGOMYHNB-KRWDZBQOSA-N 596.735 4.585 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3 514292856 NBXYNNLKIXKEJS-UHFFFAOYSA-N 544.699 4.641 0 20 KJAD Cc1noc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(Cl)s1)CC2 1817355804 AASDREHJTHWJJF-CYBMUJFWSA-N 500.005 4.756 0 20 KJAD O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 484190098 ONGZGPUOOKGAGF-RUZDIDTESA-N 500.002 4.683 0 20 KJAD COc1ccc(CN(C)C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC(C)C)cc1OC 514290825 AMOXSZBXYHSBKA-UHFFFAOYSA-N 534.078 4.633 0 20 KJAD CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2OCCC)c(O)nc1=O 514293964 UMSWTODZYIVXAL-UHFFFAOYSA-N 555.598 4.547 0 20 KJAD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 514381355 BCXVVXBZKWRHSY-UHFFFAOYSA-N 557.116 4.707 0 20 KJAD Cc1ccc([C@H](CN2CCOCC2)NCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[nH]2)cc1 514401171 OHKOCWCKCNKFLX-DEOSSOPVSA-N 545.709 4.634 0 20 KJAD Cc1noc(-c2ccccc2)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc(Cl)s3)sc2C1 1820782623 FYXMINDBPNHRKH-CYBMUJFWSA-N 500.005 4.756 0 20 KJAD CC1CCN(c2nnc(SCC(=O)N[C@@H](c3ccccc3)c3cccs3)n2C[C@H]2CCCO2)CC1 514402111 FUSPDKFRPITQFP-QPPBQGQZSA-N 511.717 4.753 0 20 KJAD Cc1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)s2)c(=O)n(-c2ccccc2)n1C 514300944 UKGWSMOSNUMCMW-KFLVHEAOSA-N 651.859 4.751 0 20 KJAD C[C@@H](OC[C@@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc(Cl)cc1 514379330 QRMMKUIDBIFCCC-DYESRHJHSA-N 538.091 4.795 0 20 KJAD O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 514384525 VEWWVVRMSGWPSU-GOSISDBHSA-N 505.662 4.548 0 20 KJAD O=C(N[C@H]1CCSc2c(F)cccc21)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 514404460 DOMBYGSKZIYUED-SFHVURJKSA-N 503.448 4.887 0 20 KJAD C[C@@H]1C[C@H]([C@@H](O)C(C)(C)O)O[C@H]2C(=O)[C@]3(C)[C@](C)(CC[C@@]45C[C@@]46CC[C@H](O)C(C)(C)[C@@H]6CC[C@]53C)[C@@H]12 1775953467 FETRCJACRDKNIS-SGAKENCKSA-N 502.736 4.891 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(Br)cc3)n2[C@H](C)COC)c1 514374233 NXBJPGMPWLSBLC-RTBURBONSA-N 624.627 4.915 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)n2[C@@H](C)COC)c1 514391738 PUXWRKIWNHKQPF-PMACEKPBSA-N 577.748 4.634 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 514302659 ONOONWPSLJPYAI-HXUWFJFHSA-N 549.118 4.504 0 20 KJAD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 514303915 QNBHYFJENUOKAX-UHFFFAOYSA-N 625.773 4.644 0 20 KJAD O=C(CCSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)Nc1ccc(N2CCCC2=O)cc1 514403620 OEJROEPTARJRFA-OAQYLSRUSA-N 530.654 4.853 0 20 KJAD CCCCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1c(O)nc(=O)n(CCCC)c1N 514303417 MPOMUNMWBWYNLY-UHFFFAOYSA-N 519.524 4.984 0 20 KJAD C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)c1nc(-c2ccccc2)no1 514389907 QXKOGDGSFXLMGA-IBGZPJMESA-N 566.709 4.984 0 20 KJAD COc1cccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)N2CCCC2)c1 514404261 AHQXICJGCAYOGA-DEOSSOPVSA-N 503.565 4.520 0 20 KJAD CN1Cc2ccc(NC(=O)C(=O)N(C)Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)cc2C1 506465910 KHMUWGUTXVSFPG-UHFFFAOYSA-N 500.002 4.735 0 20 KJAD CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 514395450 KYUVJRNYJKPAKE-MRXNPFEDSA-N 509.072 4.764 0 20 KJAD Cc1cc2cc(n1)-c1cnn(C)c1OCCC[C@@H](C)Cn1c(nc3ccc(Br)cc31)NC2=O 2048532480 UPMBIKXABDDVHH-CQSZACIVSA-N 509.408 4.964 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)C)n2[C@@H](C)COC)c1 514374851 ZCDLUHKHUWRIAR-QFIPXVFZSA-N 573.785 4.712 0 20 KJAD Cc1c(-n2c(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 514375634 SVLZKUWXHRETQC-DEOSSOPVSA-N 655.246 4.826 0 20 KJAD CCCCn1c(SCc2nnc(-c3ccc(Br)o3)o2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514376793 RKYOLVHQGDYTJF-UHFFFAOYSA-N 582.502 4.555 0 20 KJAD CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)cc1 514290875 CKRCIIQCIUSZSG-NRFANRHFSA-N 532.670 4.818 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)c1 514385571 MUQGIUXBPURFMO-UHFFFAOYSA-N 548.687 4.506 0 20 KJAD CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc([C@@H](CC)N(C)C)n2CCN2CCOCC2)cs1 514292047 KEXCOJRMRQTKSK-HSZRJFAPSA-N 557.790 4.619 0 20 KJAD COC(=O)CCCCCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2ccccc2c1=O 514401501 WVUVVCNBUHYZJD-XMMPIXPASA-N 565.692 4.747 0 20 KJAD CC[C@@H](c1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)n1CCN1CCOCC1)N(C)C 514402752 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C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 514403782 QDQRTLIMEKTSFU-QGZVFWFLSA-N 592.585 4.700 0 20 KJAD C[C@@]1(c2ccc(CNCc3cn(Cc4ccccc4)nc3-c3ccc(Cl)cc3)cc2)NC(=O)NC1=O 520218542 IXXBEOFPQSOSIX-NDEPHWFRSA-N 500.002 4.596 0 20 KJAD CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(CCc3ccccc3)Cc3ccc(C)s3)CC2)c1 514403557 MZGFTRKDYYIRMN-UHFFFAOYSA-N 524.708 4.931 0 20 KJAD Cn1cnnc1Sc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1Cl 502085214 RYGAFJRTCNBMHT-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)sc(C(=O)Nc2ccc(C)cc2C)c1C 514393799 KVIJBBYFZMKZIR-UHFFFAOYSA-N 598.751 4.596 0 20 KJAD CCOc1ccc(NC(=O)CSc2nnc([C@@H](CC)N(C)C)n2-c2ccc(OC)cc2)cc1OCC 514402920 HHMBXCNSULTEMZ-OAQYLSRUSA-N 513.664 4.817 0 20 KJAD COc1ccc(CN(C)C(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)cc1OC 514304758 YVPODOKGZJAHSJ-HXUWFJFHSA-N 509.676 4.582 0 20 KJAD CC[C@H](C)n1c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514375110 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O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 514393190 QNMUIBWZOFINJD-UHFFFAOYSA-N 531.440 4.893 0 20 KJAD CCCCc1ccc(-c2cc(NC(=O)CSc3nnc(CCC(N)=O)n3C[C@H]3CCCO3)n(-c3ccccc3)n2)cc1 514402500 AOHYLHUOFDATJL-RUZDIDTESA-N 587.750 4.801 0 20 KJAD CC[C@H](c1nnc(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)n1CCN1CCOCC1)N(C)C 514374369 ARMXNRHMWFYCTE-HSZRJFAPSA-N 557.790 4.673 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 514378029 CSYVMGPOLYVRGF-HXUWFJFHSA-N 525.454 4.529 0 20 KJAD Cc1nc(-c2cccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@H]3CCS(=O)(=O)C3)c2)cs1 514302969 HMGQNYHYQUIZLB-IBGZPJMESA-N 507.641 4.661 0 20 KJAD Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 514387130 CPSNUQCUTYPNGS-SFHVURJKSA-N 500.646 4.647 0 20 KJAD O=S(=O)(c1cccc(-c2nnc(SCc3nc(O)c4sccc4n3)n2C2CCCCCC2)c1)N1CCOCC1 514291527 FXSYSQCTSRDGBS-UHFFFAOYSA-N 586.765 4.864 0 20 KJAD COc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1 514292723 PNYZJMDFOYWEET-OECZRMQISA-N 563.764 4.676 0 20 KJAD CCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21 514395445 KUYMJEVNKQBTBW-UHFFFAOYSA-N 571.647 4.795 0 20 KJAD COc1cc2nccc(Oc3ccc(NC(=O)[C@H](CCO)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC 2048532365 GCYLVNWLTNOWGY-OAQYLSRUSA-N 519.529 4.759 0 20 KJAD CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)sc1C 514384077 KVRQHYUPXNZWLJ-UHFFFAOYSA-N 577.675 4.583 0 20 KJAD COCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)nnc12 514291981 KVJXQAPPEHCHKZ-GJZGRUSLSA-N 536.683 4.769 0 20 KJAD COc1ccc(CSc2nnc(SCC(=O)N3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)s2)cc1 514389814 NJCCYGWJEMPQJT-UHFFFAOYSA-N 576.791 4.695 0 20 KJAD CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 514293247 SNAVYDIBIQHPSJ-UHFFFAOYSA-N 515.630 4.664 0 20 KJAD COc1ccc(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)cc1 514296147 MHKKPUKDTPMLSO-UHFFFAOYSA-N 589.658 4.511 0 20 KJAD C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)n2Cc2ccco2)C1 514395128 CTSQIRKQJWVSJU-VAMGGRTRSA-N 522.675 4.648 0 20 KJAD CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 514404857 LLQLBJLGXMEYRC-IBGZPJMESA-N 518.580 4.622 0 20 KJAD Cc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)sc3C2)s1 1816014453 DQKBXLMDCZWNFP-CQSZACIVSA-N 500.005 4.756 0 20 KJAD COC(=O)c1sccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 11060468 XBDKDOTWVFCLCU-UHFFFAOYSA-N 500.001 4.677 0 20 KJAD CCCCn1c(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514292128 LEZFKGNZZKHELZ-RUZDIDTESA-N 581.764 4.763 0 20 KJAD C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 514377167 ZJAXHAGDQJQNFM-MRXNPFEDSA-N 543.596 4.549 0 20 KJAD CCCCn1c(CCC(=O)N2CCC(n3c(O)nc4ccccc43)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514389201 BWVIVSKISBWCOB-UHFFFAOYSA-N 580.755 4.719 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)n2C2CCCCC2)cc1OC 514374678 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CCOc1ccc(OCC)c(NC(=S)/C(=C(/O)c2cc(F)ccc2F)n2ccc(=[N+](C)C)cc2)c1 726963029 KDDBEGHDGRVRKA-UHFFFAOYSA-O 500.591 4.919 0 20 KJAD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nnsc1C1CC1)CC2)c1ccc2occ(Cl)c2c1 1821431818 CUVZGZGQYKTUSM-LBPRGKRZSA-N 500.005 4.811 0 20 KJAD COC(=O)c1c(NC(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)sc(C)c1C 514376015 ZHRUOYNDBHOEIQ-UHFFFAOYSA-N 513.689 4.508 0 20 KJAD CCc1sc(-c2nnc(CSc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)o2)cc1C 514391462 KKCTUWMOSAVOCE-UHFFFAOYSA-N 514.652 4.691 0 20 KJAD COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 514395364 IYBXCVKJUONEFW-ZWKOTPCHSA-N 500.068 4.883 0 20 KJAD Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 514300572 YZRRMXJRTMREHF-DXRVJIQQSA-N 537.736 4.997 0 20 KJAD CCn1cc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)n2ccc(=[N+](C)C)cc2)cn1 730440233 NQIJTPMZIPBMOS-UHFFFAOYSA-O 500.648 4.639 0 20 KJAD CCOc1cc(-c2nnc(S[C@H](C)C(=O)NCc3cccc(OC)c3)o2)cc(OCC)c1OCC 514395501 MBLALZPFBIEAIV-MRXNPFEDSA-N 501.605 4.738 0 20 KJAD CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc([C@H](CC)N(C)C)n2CCN2CCOCC2)cs1 514292051 KEXCOJRMRQTKSK-QHCPKHFHSA-N 557.790 4.619 0 20 KJAD COCCCN(C(=O)CSc1nnc(-c2ccco2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514293135 SICUZZQHDVYCLD-AYVPJYCDSA-N 633.775 4.590 0 20 KJAD COc1ccc(C[C@H](NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c2ccc(OC)cc2)cc1 514299029 CKZFRVZTQDFQOV-KCWPFWIISA-N 574.703 4.708 0 20 KJAD CC[C@@H](C)n1c(SCc2nc(O)c3cc(OC)c(OC)cc3n2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514382061 DUGYQYHSKCTCEC-QGZVFWFLSA-N 586.740 4.905 0 20 KJAD CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccco2)cc1 514384816 XXVUJHXOORAJHQ-HSZRJFAPSA-N 556.754 4.934 0 20 KJAD COC(=O)c1ccc(NC(=O)CSc2nc3scc(-c4ccccc4Cl)c3c(=O)n2C)cc1 612646050 FKSYSMUKYWXSNE-UHFFFAOYSA-N 500.001 4.833 0 20 KJAD CCCn1c(CCC(=O)N2CCC[C@H]2c2cccs2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 514296642 NDUVWTQECKSLRO-QFIPXVFZSA-N 500.690 4.589 0 20 KJAD C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)N(C)Cc1ccc(Br)cc1 514395256 GMFBPYHTFXXYNJ-KRWDZBQOSA-N 579.542 4.813 0 20 KJAD O=C(CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)Nc1cccc2ccccc12 585710544 PSWVMPHWOYVXCB-UHFFFAOYSA-N 500.001 4.724 0 20 KJAD CC(=O)NCc1ccc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)s1 514383771 JUKWNBYQPXZXMM-UHFFFAOYSA-N 537.633 4.945 0 20 KJAD COc1ccc(C(O[C@@H]2CO[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 100167006 DUUUIECLFYEGNZ-PXTZSQHASA-N 619.674 4.780 0 20 KJAD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 514379545 CVUCRHIPSXFDGM-UHFFFAOYSA-N 501.505 4.735 0 20 KJAD COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H](C)C(=O)Nc2ncccn2)cc1Cl 821723035 PGUVBZZCCWNKQV-IGWPVBGESA-N 500.005 4.704 0 20 KJAD Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)c1C 514303804 ZNNIUNIRSULOJE-UHFFFAOYSA-N 535.091 4.550 0 20 KJAD CC[C@H](c1nnc(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)n1CCN1CCOCC1)N(C)C 514375366 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CCCCn1c(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)nnc1[C@@H](CC)N(C)C 514374716 FTPXIFOGVCKOKN-LAUBAEHRSA-N 559.202 4.894 0 20 KJAD Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 514391800 OQGYXCHVIRYGRD-UHFFFAOYSA-N 563.024 4.746 0 20 KJAD O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 514392645 ZUJHRSNWIIJUJR-UHFFFAOYSA-N 531.442 4.507 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)sc(C(C)=O)c1C 514292839 MXKKDNJXSOWVAL-SFHVURJKSA-N 546.646 4.743 0 20 KJAD CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)nnc1-c1ccc(Cl)cc1 514292994 OKFUXUCFXKUMCZ-UHFFFAOYSA-N 550.106 4.532 0 20 KJAD CCc1c(C)sc2nc(SCC(=O)Nc3ccccc3OC(F)F)n(C[C@H]3CCCO3)c(=O)c12 514375924 WWKPXQLZOJDEJH-CQSZACIVSA-N 509.600 4.840 0 20 KJAD CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)sc1C 514383662 IEJDAKRGKPYFDL-UHFFFAOYSA-N 559.710 4.557 0 20 KJAD C[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 514387056 AONXXJQDNQXVNB-ZFWWWQNUSA-N 537.589 4.670 0 20 KJAD C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)c1nc(-c2ccccc2)no1 514389908 QXKOGDGSFXLMGA-LJQANCHMSA-N 566.709 4.984 0 20 KJAD O[C@H](COc1cccc(Br)c1)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 514400957 GRMOHYBQFKEHAM-QUCCMNQESA-N 508.413 4.558 0 20 KJAD CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 514293528 VPNGRHSBTANDOS-UHFFFAOYSA-N 519.593 4.988 0 20 KJAD CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514294367 XNRLWNBGURNQIT-UHFFFAOYSA-N 556.739 4.589 0 20 KJAD O=C(CSc1ncnc2ccccc12)N1CCC(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 514376783 RDXQBPFDIBNNKQ-JOCHJYFZSA-N 517.680 4.934 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)CSc2nnc(CN3CCCC3=O)o2)c1 514374392 BCUKFKZKXOEYEV-UHFFFAOYSA-N 610.183 4.758 0 20 KJAD CCCn1c(CSCC(=O)Nc2c(Cl)cccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514386835 DWLVUKUMEUWMDQ-UHFFFAOYSA-N 557.525 4.646 0 20 KJAD CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 514402426 IQAWJDYAADGXDF-LJQANCHMSA-N 541.121 4.657 0 20 KJAD CCOC(=O)c1sc2nc(CN(C)C)nc(Sc3nnc(-c4ccc(OC)cc4)n3C[C@H]3CCCO3)c2c1C 514380680 SQYGGFCCOCWQOU-LJQANCHMSA-N 568.725 4.835 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2CC)sc(C(=O)Nc2ccccc2)c1C 514384193 QAZBIDJAFWZSBU-UHFFFAOYSA-N 513.645 4.705 0 20 KJAD C[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)n1-c1ccc(Cl)cc1)N(C)C 514395754 SDANGUJSFUIDRZ-JKSUJKDBSA-N 502.040 4.824 0 20 KJAD COC(=O)c1cccc(Cc2cnc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)s2)c1 512413138 SPZJLSLJVNYDSY-UHFFFAOYSA-N 500.001 4.757 0 20 KJAD COc1ccc(CN(C)C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)cc1F 514395944 XRZJKFWEDIAFHF-IEBWSBKVSA-N 523.634 4.892 0 20 KJAD COc1ccc(N(CC(=O)O)C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(OC)c1 514287172 KIBKURPQZJBZSU-NDEPHWFRSA-N 532.593 4.685 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(Br)cc3)n2[C@H](C)COC)c1 514374230 NXBJPGMPWLSBLC-MOPGFXCFSA-N 624.627 4.915 0 20 KJAD CCCCc1ccc(-c2cc(NC(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)n(-c3ccccc3)n2)cc1 514389122 ZQRBCKCZEBNYSZ-QFIPXVFZSA-N 578.764 4.718 0 20 KJAD COCCCn1c(S[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccc(OC)c(OC)c1 514395656 PPEXHEDTCLUZRH-INIZCTEOSA-N 537.057 4.931 0 20 KJAD CCOc1cc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)o2)cc(OCC)c1OCC 514405196 RPGQIRCQQOSSSA-OAHLLOKOSA-N 506.625 4.572 0 20 KJAD O=C1CC[C@]2(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)Sc3ccccc3N12 657208448 QBZKMMRGMDDQAU-HSZRJFAPSA-N 500.001 4.708 0 20 KJAD COc1ccc(OC)c(-c2csc(NC(=O)CSc3nnc(N4CCCCC4)n3Cc3ccco3)n2)c1 514302756 SCEWCNQKMDMNLX-UHFFFAOYSA-N 540.671 4.781 0 20 KJAD CN(Cc1ccc(Br)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 514292714 PHVFYAFDYIHJOU-UHFFFAOYSA-N 519.383 4.527 0 20 KJAD CCCCn1c(CCC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514394410 MJQWASSMFRLDFX-NDEPHWFRSA-N 568.719 4.578 0 20 KJAD COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1OC 514405233 SNGRQXXCDPKUBZ-HXUWFJFHSA-N 527.470 4.775 0 20 KJAD COCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1-c1ccccc1Cl 514291340 DFZVHVRDSUWJEI-UHFFFAOYSA-N 564.133 4.540 0 20 KJAD CCN(C(C)=O)c1nc(CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)cs1 514293345 UHDHEAJPOAJYHR-UHFFFAOYSA-N 522.647 4.976 0 20 KJAD CCOC(=O)c1sc2nc(CSc3nnc(N4CCC(C)CC4)n3Cc3ccco3)nc(N)c2c1C 514394102 PDQATUKGBBHHCY-UHFFFAOYSA-N 527.676 4.520 0 20 KJAD Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)o2)c1 514292499 LHDNVTZQKAVZFI-UHFFFAOYSA-N 551.090 4.906 0 20 KJAD Cn1cnnc1Sc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Cl 502088060 KOKZRPPRCKENKL-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 514294437 ZPQKLCNTFSZSNY-XMMPIXPASA-N 654.859 4.714 0 20 KJAD COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1 514386639 WJIJKBGVPDAYOM-CVEARBPZSA-N 504.056 4.530 0 20 KJAD CCCn1c(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)nc2cc(S(=O)(=O)N(C)C)ccc21 514402078 DQDDQUKLNYNPMB-FQEVSTJZSA-N 558.705 4.566 0 20 KJAD CC[C@@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1-c1ccc(OC)cc1)N(C)C 514293065 PDRXLSLGNDXDOZ-VWLOTQADSA-N 586.784 4.502 0 20 KJAD CCCCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514299632 HYMJGNNUIHKCNZ-SFHVURJKSA-N 527.672 4.761 0 20 KJAD C[C@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)c1ccccc1Cl 514375304 OLWICGUBTZSNQO-IBGZPJMESA-N 590.171 4.704 0 20 KJAD CCOc1cc(-c2nnc(S[C@@H](C)C(=O)NCc3ccc(OC)c(OC)c3)o2)cc(OCC)c1OCC 514389090 YSHWGOQEGKSBNZ-INIZCTEOSA-N 531.631 4.747 0 20 KJAD CC1CCN(c2nnc(SCC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)n2C[C@@H]2CCCO2)CC1 514393167 PXWMYZICQQKANK-URXFXBBRSA-N 529.707 4.892 0 20 KJAD Cc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)sc3C2)s1 1816014452 DQKBXLMDCZWNFP-AWEZNQCLSA-N 500.005 4.756 0 20 KJAD Nc1c(N(CCC2=CCCCC2)C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(O)nc(=O)n1Cc1ccccc1 514296188 QHSREDPNBQYYMD-UHFFFAOYSA-N 676.659 4.728 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 514392886 GLLDGJPAPNLQTP-UHFFFAOYSA-N 514.648 4.501 0 20 KJAD COCCCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccc(OC)c(OC)c1 514395723 RICLMJXCRPEEHK-MOPGFXCFSA-N 510.660 4.847 0 20 KJAD CC1CCN(c2nnc(SCC(=O)N[C@H](c3ccccc3)c3cccs3)n2C[C@@H]2CCCO2)CC1 514402113 FUSPDKFRPITQFP-XUZZJYLKSA-N 511.717 4.753 0 20 KJAD Cc1cc(C)n2nc(CC(=O)N(C)Cc3cn(Cc4ccccc4Cl)nc3-c3ccccc3)nc2n1 643121182 TZVUEDHGTVCBOM-UHFFFAOYSA-N 500.006 4.507 0 20 KJAD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 514390463 KRTAGTYORYZVDK-INIZCTEOSA-N 512.459 4.657 0 20 KJAD CCCn1c(CCC(=O)N[C@@H]2CCSc3ccc(F)cc32)nc2cc(S(=O)(=O)N3CCCC3)ccc21 514404122 ZGDGCKPWVJHQQK-OAQYLSRUSA-N 530.691 4.656 0 20 KJAD CCN1CCC(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2CCc2ccccc2)CC1 514385162 AINIWNFINUOJEY-UHFFFAOYSA-N 528.520 4.643 0 20 KJAD CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4c(C)noc4C)CC3)cc2)n(-c2ccccc2C)n1 25154536 KAZCQFDCVZJHDL-UHFFFAOYSA-N 513.598 4.592 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 514291908 IMHRLBKULSYYRG-HNNXBMFYSA-N 541.571 4.804 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)sc(C(=O)N(C)C)c1C 514292518 MYYGACKBJLRMDM-UHFFFAOYSA-N 551.090 4.610 0 20 KJAD CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C2CCCC2)c(O)nc1=O 514385740 STFDLKPUZFGDBC-UHFFFAOYSA-N 598.129 4.952 0 20 KJAD C[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 514382958 CSSIWISUUDEHDB-QGZVFWFLSA-N 505.566 4.940 0 20 KJAD CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3nnc(N4CCCCC4)n3Cc3ccco3)nc(=O)c2c1C 514392939 IEESWMAEKIFMJW-OAHLLOKOSA-N 528.660 4.546 0 20 KJAD CCCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)c1c(O)nc(=O)n(CCCC)c1N 514375108 KYTVOXAAIIYGCV-UHFFFAOYSA-N 548.113 4.579 0 20 KJAD COCCCn1c(SCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1-c1ccccc1Cl 514390988 FHKXMEPRBJCQPN-UHFFFAOYSA-N 564.133 4.540 0 20 KJAD Cc1nnsc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 1817405599 HRZDPECZIXZDEU-CQSZACIVSA-N 500.005 4.756 0 20 KJAD O=S(=O)(c1cccc(-c2nnc(SC[C@@H](O)COCc3cccs3)n2C2CCCCCC2)c1)N1CCOCC1 514376278 FWAXLFDZHKEEDY-QHCPKHFHSA-N 592.809 4.593 0 20 KJAD Cc1c(-n2c(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2Br)c(=O)n(-c2ccccc2)n1C 514384789 XDVRJQNASGFYBK-QHCPKHFHSA-N 685.670 4.545 0 20 KJAD CCOc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1OCC(=O)N1CCCCC1 514405141 QQCUOFDNMFTLOO-UHFFFAOYSA-N 512.657 4.873 0 20 KJAD CN(Cc1ccccc1Br)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 514379569 DRQLZFRPSUFBPQ-UHFFFAOYSA-N 520.276 4.815 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 514301971 JWOWJIIRQVIDAO-UHFFFAOYSA-N 584.743 4.521 0 20 KJAD CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 514388135 PKHPBNLFDSOPNJ-UHFFFAOYSA-N 531.366 4.877 0 20 KJAD O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 514392953 IOAGEWMMXULESC-UHFFFAOYSA-N 515.001 4.679 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 514403721 ZZNMULNWKWTFPR-INIZCTEOSA-N 502.662 4.500 0 20 KJAD CSCC[C@H](NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3)c1nnc2ccccn12 514299748 QJVNQEBREXOFMG-INIZCTEOSA-N 528.729 4.552 0 20 KJAD C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 514395089 BWDCQLOROULSSY-OAQYLSRUSA-N 518.687 4.558 0 20 KJAD COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@@H]3CCS(=O)(=O)C3)n2)cc1F 514383532 GDVSPSHMTUAXSR-MRXNPFEDSA-N 541.630 4.500 0 20 KJAD COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)c1 514385985 YPWNBYZMKTXQNH-IEBWSBKVSA-N 521.643 4.592 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 514395779 STMHOZCYHKCZHH-HNNXBMFYSA-N 513.586 4.767 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 514403722 ZZNMULNWKWTFPR-MRXNPFEDSA-N 502.662 4.500 0 20 KJAD CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 22143333 CKQPPMVZLSJSER-UHFFFAOYSA-N 500.001 4.932 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 514302302 ONOONWPSLJPYAI-FQEVSTJZSA-N 549.118 4.504 0 20 KJAD COc1ccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)CC2)c2ccccc12 514387076 AXIHOQRJHYYPEN-UHFFFAOYSA-N 556.526 4.869 0 20 KJAD CCCCn1c(CCC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514394409 MJQWASSMFRLDFX-MUUNZHRXSA-N 568.719 4.578 0 20 KJAD CN(C)C(=O)C1CCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)CC1 514296335 ONYOBIWLAJIESR-UHFFFAOYSA-N 504.578 4.522 0 20 KJAD O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 514375029 KFDZFNFTGDVCII-UHFFFAOYSA-N 503.550 4.731 0 20 KJAD O=C1CC[C@@]2(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4)c3)Sc3ccc(Cl)cc3N12 503526159 CUHORHSXWHPPSA-QHCPKHFHSA-N 500.001 4.708 0 20 KJAD COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C4CC4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 514300149 UEBHFOZLPXJLCT-WMZHIEFXSA-N 508.600 4.564 0 20 KJAD C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 514374644 FIYCIZDFGZDPMO-HNNXBMFYSA-N 600.589 4.925 0 20 KJAD COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c(OC)c1OC 514387609 KKLWFZNTTRGOGE-OAHLLOKOSA-N 515.960 4.529 0 20 KJAD COC(=O)CCCCCn1c(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)nc2ccccc2c1=O 514391378 IEPCOOKTRLDYRT-MRXNPFEDSA-N 519.570 4.851 0 20 KJAD Cc1nscc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)sc2C1 1816014812 FWVVNTAOPPAKEY-CQSZACIVSA-N 500.005 4.756 0 20 KJAD CCCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 514377370 SKNKUTLNNMUTOI-INIZCTEOSA-N 502.662 4.521 0 20 KJAD C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 514395460 LBFORMMBXFOFPD-MJGOQNOKSA-N 519.627 4.886 0 20 KJAD O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1cnc2ccccc21)c1ccccc1Cl 508193976 WETHFIJNEIXXDL-VWLOTQADSA-N 500.002 4.719 0 20 KJAD Cn1c(CCC(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514295716 MMBWAFFEOZPQNF-JOCHJYFZSA-N 674.643 4.625 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 514374691 FJQKRIDSJOCXPW-KRWDZBQOSA-N 557.525 4.801 0 20 KJAD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)CC1 514388929 VLENNGQIFSRMLJ-QHCPKHFHSA-N 501.674 4.783 0 20 KJAD Cc1ccc(CCC2CCN(C(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)CC2)cc1 514391693 NANMRYLQOFSWHU-UHFFFAOYSA-N 500.569 4.539 0 20 KJAD COc1ccc([C@H](CNC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1 514292722 PNYZJMDFOYWEET-KZKROUNTSA-N 563.764 4.676 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccccc3Br)n2C[C@H]2CCCO2)cc1 514293311 UBAGRFOEVDKDCX-HXUWFJFHSA-N 531.476 4.646 0 20 KJAD O=C([C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 514377208 NDBZOEJAFSJUKQ-NBGIEHNGSA-N 512.994 4.611 0 20 KJAD O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)Nc1ccc2c(c1)OC1(CCCCC1)O2 514383700 IUQCBIJUVPQPIX-UHFFFAOYSA-N 651.767 4.770 0 20 KJAD Cc1nc(CSc2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)cs1 11701370 IQDUVPGDCRYLPI-UHFFFAOYSA-N 500.005 4.773 0 20 KJAD COc1cc2c(cc1C(=O)O)-c1cc(C(=O)O)c(OC)cc1C21c2cc(OC)c(C(=O)O)cc2-c2cc(C(=O)O)c(OC)cc21 2048532925 VOURBHWBQBLGBA-UHFFFAOYSA-N 612.543 4.857 0 20 KJAD CCOCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)c3ccc(NC(=O)C(C)(C)C)cc3)nnc12 514296549 JAFRFGBSTTYCBS-GOSISDBHSA-N 535.670 4.819 0 20 KJAD CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 514379365 SZWIOTKNDWAIOC-UHFFFAOYSA-N 569.709 4.614 0 20 KJAD C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 514404450 DCTNJPGOZZGPNH-IBGZPJMESA-N 507.660 4.511 0 20 KJAD CCN(C(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC)c1ccccc1 514403925 UETXCURTGMAWAH-RTWAWAEBSA-N 559.758 4.717 0 20 KJAD COc1ccc(CSc2nnc(SCC(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)s2)cc1 514403083 RGOZQVCQIFOCCT-UHFFFAOYSA-N 597.710 4.733 0 20 KJAD O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccccc1OCc1cscn1 750866345 DHNDRUBGRINSCC-JAIQZWGSSA-N 500.001 4.842 0 20 KJAD CN(C(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCCC1 514297561 URMUHVWTGCULSC-UHFFFAOYSA-N 524.108 4.726 0 20 KJAD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 514388820 SCNWRYFSISDGOH-UHFFFAOYSA-N 535.497 4.572 0 20 KJAD Cc1ccc([C@H](CNC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)N2CCOCC2)o1 514393289 VPCPXCXTOPJQJV-NQIIRXRSSA-N 538.695 4.777 0 20 KJAD O=C(CCSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)Nc1ccc(N2CCCC2=O)cc1 514402040 KIUSWDCPNHPYJU-UHFFFAOYSA-N 522.650 4.640 0 20 KJAD CCCCn1c(CCC(=O)N(Cc2ccccc2)Cc2ccco2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514404491 FSSFQEMAZDTNKK-UHFFFAOYSA-N 564.708 4.612 0 20 KJAD CN(Cc1ccccc1Br)C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 514291532 GYGOGMXGTADAFL-MRXNPFEDSA-N 507.479 4.699 0 20 KJAD CC[C@H](C)n1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514290972 BNPUYHSHFJXLQB-QHCPKHFHSA-N 696.900 4.621 0 20 KJAD CC(=O)NCc1ccc(/C(O)=C(/C(=S)Nc2ccc(Cl)nc2)[n+]2ccc3c(c2)CCCC3)s1 727161068 ZMUOMABWVLUFAH-UHFFFAOYSA-O 500.069 4.922 0 20 KJAD CCOC(=O)c1sc2nc(CN(C)C)nc(N(CC)CC(=O)Nc3ccccc3C(F)(F)F)c2c1C 514295281 BIASGTOIVUPGAK-UHFFFAOYSA-N 523.581 4.722 0 20 KJAD O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)Nc1ncc(C(F)(F)F)cc1Cl 514375801 WZAAXDCBASDMLT-LBPRGKRZSA-N 503.959 4.984 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 514295882 LRBSRSWUKWWMOL-UHFFFAOYSA-N 530.565 4.556 0 20 KJAD CCCNC(=O)CSc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)s1 514376932 UQSLIIXZZOLDBP-AWEZNQCLSA-N 523.756 4.749 0 20 KJAD Cc1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(-c4ccc(Cl)cc4)no2)CC3)s1 1817889895 WJPAHQGIHFOXCQ-CQSZACIVSA-N 500.005 4.756 0 20 KJAD CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514300334 OZEFUAQJSJDGJS-IBGZPJMESA-N 555.726 4.708 0 20 KJAD CCCN(C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 514395839 VEOTWMUXIIPAFD-MAUKXSAKSA-N 554.525 4.542 0 20 KJAD CCOc1ccc(OCC)c(NC(=S)/C(=C(/O)c2ccc(F)cc2F)n2ccc(=[N+](C)C)cc2)c1 726964505 ZGPPRELWWXEKAJ-UHFFFAOYSA-O 500.591 4.919 0 20 KJAD C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 514387054 AONXXJQDNQXVNB-HIFRSBDPSA-N 537.589 4.670 0 20 KJAD COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1Br 70135758 HBFUTYKHKWAGBW-UHFFFAOYSA-N 500.006 4.784 0 20 KJAD CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 514293818 TXBGLDKHPRBHBD-UHFFFAOYSA-N 624.185 4.632 0 20 KJAD CC(=O)NCCCc1ccc(-c2csc(NC(=O)CCc3c(C)nc4nc(C(F)(F)F)nn4c3C)n2)cc1 514387021 CRPJGXQUPMEMRH-UHFFFAOYSA-N 545.591 4.523 0 20 KJAD C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 514395753 SDANGUJSFUIDRZ-HZPDHXFCSA-N 502.040 4.824 0 20 KJAD O[C@@H](COc1cccc(Br)c1)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 514400956 GRMOHYBQFKEHAM-ICSRJNTNSA-N 508.413 4.558 0 20 KJAD COCCn1c(C)cc(C(=O)CSc2nnc(SCC(=O)c3cc(C)n(CCOC)c3C)s2)c1C 514292335 MFZIMVLNBCLNQZ-UHFFFAOYSA-N 536.745 4.618 0 20 KJAD CC[C@@H](c1nnc(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)n1CCN1CCOCC1)N(C)C 514375368 OFVJMEMBEGBREC-QHCPKHFHSA-N 557.790 4.673 0 20 KJAD C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 514395172 DUPUWGRZYDPYQG-CVEARBPZSA-N 534.107 4.719 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2[C@@H](C)COC)c1 514374542 UOUYXGVSLJCKOL-KRWDZBQOSA-N 566.149 4.876 0 20 KJAD CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)C2CCCC2)c(O)nc1=O 514385886 YBKSJWYENSILGW-UHFFFAOYSA-N 579.752 4.767 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCC(CCc2ccc(O)cc2)CC1 514393306 WEGIXORHFPNXRL-UHFFFAOYSA-N 524.605 4.683 0 20 KJAD Cc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514295524 DWHIJENUEKTUAY-UHFFFAOYSA-N 544.309 4.579 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(Br)cc3)n2[C@@H](C)COC)c1 514374232 NXBJPGMPWLSBLC-RBUKOAKNSA-N 624.627 4.915 0 20 KJAD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 514377715 GJQYGCRCCCUYHM-UHFFFAOYSA-N 517.051 4.606 0 20 KJAD O=C(Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)c1cnn(-c2ccc(Cl)cc2)c1 613648533 NLLLKCVZFILKLY-UHFFFAOYSA-N 500.002 4.669 0 20 KJAD O=C1CC[C@@]2(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)Sc3ccc(Cl)cc3N12 503502116 FPRAKIKIHGWOAD-QHCPKHFHSA-N 500.001 4.708 0 20 KJAD CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2C2CCCCC2)n1 514293427 UMSNUFSHKXFAHC-UHFFFAOYSA-N 545.687 4.760 0 20 KJAD COc1ccc([C@H]2CCCCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1 514387024 CSMBWYDHWCTUBX-PXDATVDWSA-N 522.671 4.743 0 20 KJAD COCCCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)nnc1-c1ccc(OC)c(OC)c1 514395601 OHAAIYXJIFFDSM-RUZDIDTESA-N 510.660 4.667 0 20 KJAD Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)c12 514404104 YYWCSDJJNXOJOJ-GOSISDBHSA-N 559.479 4.781 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 514291818 HCUJEOHNRFMIPJ-LJQANCHMSA-N 589.162 4.908 0 20 KJAD Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 514292522 NINLJSQUUFMKSM-HXUWFJFHSA-N 572.682 4.707 0 20 KJAD COc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC(C)C)c(OC)c1 514375681 TYSUBAZSIRSBCX-UHFFFAOYSA-N 506.024 4.613 0 20 KJAD CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 514382686 AMFQMASHSXTTOK-UHFFFAOYSA-N 513.476 4.513 0 20 KJAD CC(C)c1nnc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1Cc1ccco1 514392638 ZHENPIKTCKQSDZ-UHFFFAOYSA-N 528.988 4.551 0 20 KJAD CC(=O)NCc1ccc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)s1 514404156 AHMFWUCUDRNRSV-UHFFFAOYSA-N 535.642 4.527 0 20 KJAD CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)ccc2OC)cc1 514386842 FFRQSMPNRRYFDO-HFCJMSRESA-N 514.644 4.555 0 20 KJAD Cc1cc(C)c2c(NC(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c(C(=O)N3CCOCC3)sc2n1 514390122 YRQJHDOLYGFMQK-UHFFFAOYSA-N 592.743 4.578 0 20 KJAD CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c(C(F)(F)F)c1 514391278 FXPKIEVCJDPOQC-UHFFFAOYSA-N 525.593 4.937 0 20 KJAD O=C(NC[C@H]1CCN(C(=O)c2cnc(Cl)s2)[C@@H]1c1cccnc1)c1cc(-c2cccs2)on1 1810847313 XEPKHNAKOJLNMU-AUUYWEPGSA-N 500.005 4.541 0 20 KJAD NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 511427996 JRWPJHMOILXDRG-RUZDIDTESA-N 500.002 4.895 0 20 KJAD Cc1cc(-c2cc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 514393425 AQOZXEMJECRCBE-UHFFFAOYSA-N 537.711 4.941 0 20 KJAD Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)sc2nc3n(c(=O)c12)CCCCC3 2655328 GJRQGIVJLPLDSC-UHFFFAOYSA-N 506.550 4.601 0 20 KJAD CCCn1c(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514292769 MPRPMRDBYLTPAH-UHFFFAOYSA-N 553.729 4.674 0 20 KJAD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 514381053 ZVKRQQMYANQILP-GOSISDBHSA-N 525.593 4.678 0 20 KJAD CC(=O)NCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)s1 27162448 ITUTVQSKXYLGHS-UHFFFAOYSA-O 500.616 4.880 0 20 KJAD Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 32521082 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Cc1ccc(C(=O)O[C@@H](C(=O)N(C)[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)[C@H](O)C(=O)N(C)[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1 2048529579 PGZYEALLLSZOTQ-WICYJQJFSA-N 668.879 4.619 0 20 KJAD CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 2048529342 GMLBQFFEIVQHIS-CWDCEQMOSA-N 502.402 4.904 0 20 KJAD O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H](c1ccccc1)c1cccs1 18527374 CLMCTVZSZRSDCP-NRFANRHFSA-N 500.001 4.993 0 20 KJAD CCc1c(C)sc2nc(SCc3nc(=O)c4c(C)c(C(C)=O)sc4[nH]3)n(C[C@@H]3CCCO3)c(=O)c12 514374887 HEMMUAISMIGLAT-AWEZNQCLSA-N 530.697 4.609 0 20 KJAD CCN(C(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC)c1ccccc1 514403926 UETXCURTGMAWAH-SFTDATJTSA-N 559.758 4.717 0 20 KJAD CCCCn1c(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nc2cc(S(=O)(=O)N(C)C)ccc21 514376264 FLZVTMFUXBWPMD-HSZRJFAPSA-N 539.727 4.993 0 20 KJAD CCCCn1c(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)nc2cc(S(=O)(=O)N(C)C)ccc21 514376265 FLZVTMFUXBWPMD-QHCPKHFHSA-N 539.727 4.993 0 20 KJAD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1SCC(=O)NCCc1ccc(OC)c(OC)c1 514292400 KYCOEOLVIMMPNJ-UHFFFAOYSA-N 627.785 4.590 0 20 KJAD Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nnc(S[C@@H](C)C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)s3)CC2)c1C 514299027 CGTZIEJXOVAFEI-QHCPKHFHSA-N 697.909 4.728 0 20 KJAD COc1ccc(-c2nc(CN3CCN(C(=O)C4CCN(c5nc6ccccc6o5)CC4)CC3)cs2)cc1 514394964 YCAXYDXQRAYHPM-UHFFFAOYSA-N 517.655 4.521 0 20 KJAD COc1cc(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)cc(OC)c1OC 514297160 NZKVNRCNLMSCSV-SFHVURJKSA-N 511.648 4.571 0 20 KJAD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C1CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC1)CC2 514298634 DEYBKEWONSNDCK-LJAQVGFWSA-N 566.745 4.829 0 20 KJAD O=C(NC[C@@H]1CCN(C(=O)c2cnc(Cl)s2)[C@H]1c1cccnc1)c1cc(-c2cccs2)on1 1810847322 XEPKHNAKOJLNMU-LIRRHRJNSA-N 500.005 4.541 0 20 KJAD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1SCC(=O)NCCc1ccc(OC)c(OC)c1 514379002 KUICQHLWMJZDIJ-UHFFFAOYSA-N 641.812 4.980 0 20 KJAD CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc(N3CCCCC3)n2C2CC2)nc1C 514393315 WMHZLCJZOTUIFF-UHFFFAOYSA-N 540.715 4.870 0 20 KJAD COc1ccc(CN2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1 514393408 ZWUHISCTNJTTGU-UHFFFAOYSA-N 574.065 4.503 0 20 KJAD CC1CCN(c2nnc(SCC(=O)N[C@@H](c3ccccc3)c3cccs3)n2C[C@@H]2CCCO2)CC1 514402112 FUSPDKFRPITQFP-URXFXBBRSA-N 511.717 4.753 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3I)n2[C@H](C)COC)c1 514374596 XJYGXKNOAJCURG-QGZVFWFLSA-N 643.573 4.518 0 20 KJAD Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 514386704 YYYYFLHTTRAKDP-QGZVFWFLSA-N 507.685 4.659 0 20 KJAD CCOc1cc(Br)c(CC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1OCC 514394811 TVRQNJILXVFZRM-IBGZPJMESA-N 520.424 4.728 0 20 KJAD CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)nc2ccc(Br)cc2c1=O 514395346 IREUSBPFCBIZGL-IBGZPJMESA-N 532.460 4.652 0 20 KJAD O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 595652994 WDWOIVMQNDUGJJ-QHCPKHFHSA-N 500.002 4.857 0 20 KJAD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)c12 514390762 BOPIACVZVCICJN-IBGZPJMESA-N 522.627 4.661 0 20 KJAD O=C1CC[C@@]2(C(=O)Nc3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)Sc3ccccc3N12 483684893 VKMPVIGGUAUTMA-QHCPKHFHSA-N 500.001 4.708 0 20 KJAD O[C@@H](COc1cccc(Br)c1)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 514400955 GRMOHYBQFKEHAM-AZUAARDMSA-N 508.413 4.558 0 20 KJAD C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc5nc(N6CCOCC6)sc5c4)nc(O)c23)C1 514389820 NRORTNZZYKTBIU-AWEZNQCLSA-N 509.657 4.539 0 20 KJAD CC(=O)NCCCc1ccc(-c2csc(NC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 514383441 DPMKZZMKJJZSHF-UHFFFAOYSA-N 508.688 4.540 0 20 KJAD CCCCn1c(CCC(=O)Nc2cc(NC(C)=O)ccc2F)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514402300 NVVRIWXUHGQUQQ-UHFFFAOYSA-N 531.654 4.536 0 20 KJAD CC(C)(C)OC(=O)[C@]1(Cn2ccnc2)C[C@H](C(=O)O)[C@@H](c2cccs2)N1C(=O)OCc1ccccc1 407987037 RATHPSBOJRIUPZ-HEKZAOSPSA-N 511.600 4.510 0 20 KJAD CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC 514374141 JRGZPRZPGJKWFA-FQEVSTJZSA-N 559.758 4.785 0 20 KJAD CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C2CCCC2)c(O)nc1=O 514385616 OHFRPYDCCQEVMP-UHFFFAOYSA-N 595.129 4.695 0 20 KJAD CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)[C@@H]1c1ccccc1OC 514404293 BADKHANVMKYPQD-NLFFAJNJSA-N 524.643 4.766 0 20 KJAD O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 514304761 ZCRNZKKVKUXCOM-UHFFFAOYSA-N 564.115 4.909 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2[C@H](C)COC)c1 514374543 UOUYXGVSLJCKOL-QGZVFWFLSA-N 566.149 4.876 0 20 KJAD C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 514395458 LBFORMMBXFOFPD-HKUYNNGSSA-N 519.627 4.886 0 20 KJAD COC(=O)[C@H](c1ccccc1Cl)N1CCC(SCC(=O)c2cccc(OC)c2)=C(CC(=O)O)C1 77286031 BNGUEGYOTLVBPU-DEOSSOPVSA-N 504.004 4.613 0 20 KJAD in-vitro CCOc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1 514296061 OOILLWRJMMTSOH-UHFFFAOYSA-N 636.771 5.000 0 20 KJAD COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1OC 514394929 WSESTPMONFYHNY-OAQYLSRUSA-N 501.421 4.682 0 20 KJAD CN(Cc1ccccc1Br)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 514380707 UJCRVDHMZSSJNQ-UHFFFAOYSA-N 519.383 4.527 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 514405148 QXSYYNDTESVBAE-UHFFFAOYSA-N 514.673 4.545 0 20 KJAD O=C(c1ccc(Cl)s1)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1 2048532192 NESMRAQFNZSHIR-MRXNPFEDSA-N 580.471 4.788 0 20 KJAD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC1)CC2 514298633 DEYBKEWONSNDCK-GDLZYMKVSA-N 566.745 4.829 0 20 KJAD O=C(C1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)CC1)N1CCCCC1 514380455 NLGWDBNXJRZOHD-UHFFFAOYSA-N 532.710 4.702 0 20 KJAD Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1Sc1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 514300575 YZRRMXJRTMREHF-IENJSVCTSA-N 537.736 4.997 0 20 KJAD COC(=O)C[C@@H](NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccc(Br)cc1 514301906 GXBAVGCSIHJPPX-XJKSGUPXSA-N 538.489 4.819 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccs3)n2CC(C)C)c1 514375818 WJTKELWEFFRSLA-SFHVURJKSA-N 535.761 4.663 0 20 KJAD COc1ccc(NS(=O)(=O)c2cc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)ccc2Cl)cc1 514388478 YXHSVARZUCNHCN-IMWZJCIKSA-N 505.036 4.809 0 20 KJAD Cc1csc(SCc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1 9622568 HTXGRXAPFYHLQO-UHFFFAOYSA-N 500.005 4.773 0 20 KJAD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C[C@@H]3CCCO3)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)CC1 514384327 OFPWPRBJDFTPOP-NRFANRHFSA-N 623.584 4.796 0 20 KJAD COc1ccc([C@H](CNC(=O)c2ccccc2SCC(=O)NCCc2ccc(OC)c(OC)c2)N2CCCC2)cc1 514381088 WVWYMSYBLNRKCM-MHZLTWQESA-N 577.747 4.730 0 20 KJAD O=C(NCc1ccccc1)C1CCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)CC1 514385384 GHWSYJAUWTUFDP-UHFFFAOYSA-N 527.694 4.723 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C 514376463 MOXOBCWUIOMKEY-UHFFFAOYSA-N 561.104 4.996 0 20 KJAD COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1 514404087 YEDJVQJGICMSGZ-XMMPIXPASA-N 525.671 4.685 0 20 KJAD CCOCCCn1c(S[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)nc2cc(Cl)ccc2c1=O 514388826 SKGZTJHOJWUQPJ-OAHLLOKOSA-N 506.024 4.613 0 20 KJAD COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1Cl 514290883 AVTUVLOVHXVDTP-NRFANRHFSA-N 589.110 4.813 0 20 KJAD CC[C@H](C)n1c(SCc2csc(NC(C)=O)n2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514293318 QDLHBKXLMICPPP-HNNXBMFYSA-N 522.722 4.654 0 20 KJAD CCCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1OCCC 514300988 UTFOEDBZMLJYFO-FQEVSTJZSA-N 526.659 4.807 0 20 KJAD Cc1ccccc1[C@@H](OC[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 514382819 AEXAVIQCLNJLOY-OUTSHDOLSA-N 541.614 4.737 0 20 KJAD Cc1cnc(Cl)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(-c5cccs5)on4)sc3C2)c1 1820551663 YZOXMQFMNRNDFT-GFCCVEGCSA-N 500.005 4.756 0 20 KJAD COc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC(C)C)cc(OC)c1OC 514292052 KFSUYZQSUNYGOI-UHFFFAOYSA-N 536.050 4.622 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(Br)cc3)n2C[C@@H]2CCCO2)cc1 514293466 VCNGEEUDEAUBPO-KKSFZXQISA-N 531.476 4.865 0 20 KJAD CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2csc(-c3cnccn3)n2)ccc1Cl 476672049 IPEJVUDDLBFOLX-UHFFFAOYSA-N 500.005 4.721 0 20 KJAD COCCCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nnc1-c1ccccc1Cl 514291917 INRBOTDLWXYHHX-UHFFFAOYSA-N 594.159 4.549 0 20 KJAD CCCCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)nnc1[C@@H](CC)N(C)C 514375508 QMTQNQGDMAPWJO-GOSISDBHSA-N 517.618 4.866 0 20 KJAD CCc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@@H]3CCS(=O)(=O)C3)n2)cc1 514382559 POUWAQSXQXUXLX-LJQANCHMSA-N 521.668 4.915 0 20 KJAD CCc1c(C)sc2nc(SC[C@H](O)COc3ccc(CCC(C)=O)cc3)n(C[C@@H]3CCCO3)c(=O)c12 514387522 OIBOVRCSMFXYDI-IRLDBZIGSA-N 530.712 4.561 0 20 KJAD CCCCN(C(=O)CSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC)c1c(O)nc(=O)n(CCC)c1N 514404430 HCEGVJQRJCQGHS-UHFFFAOYSA-N 633.196 4.605 0 20 KJAD O=C(Nc1ccccc1Cc1ccccc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 642407339 NJNAPJLMRXGLOK-UHFFFAOYSA-N 500.002 4.831 0 20 KJAD CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 514300776 QAYLBONDEHIMRK-UHFFFAOYSA-N 592.556 4.902 0 20 KJAD C=CC(=O)NCc1ccccc1CC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 2088603362 FEBCIXCEIRXXKE-UHFFFAOYSA-N 501.583 4.720 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(O)c4cc(OC)c(OC)cc4n3)n2CC(C)C)c1 514298604 CCORLIDHDUPFAU-UHFFFAOYSA-N 586.740 4.590 0 20 KJAD CCN(C(C)=O)c1nc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@@H](C)c2ccccc2)cs1 514374487 DFUDLHQYSKKZEM-FQEVSTJZSA-N 612.803 4.697 0 20 KJAD COc1cc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(C3CC3)n2C)ccc1OC(F)F 514376090 BIZMEOVZKGXBJW-MRXNPFEDSA-N 519.599 4.834 0 20 KJAD CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 514378005 BODWIKFRWVOGBE-IBGZPJMESA-N 525.538 4.628 0 20 KJAD O=C(N[C@@H]1CCSc2c(F)cccc21)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 514389827 NXJWRFNLRJOXNK-GOSISDBHSA-N 502.555 4.599 0 20 KJAD Cc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O 85665203 UUXPVUHOWQPCSC-DNQXCXABSA-N 510.498 4.590 0 20 KJAD COC(=O)c1sc2[nH]c(CSc3nnc(CN4CCCCC4)n3-c3ccccc3C(F)(F)F)nc(=O)c2c1C 514293522 VLYGWYGDSWOKCA-UHFFFAOYSA-N 578.642 4.957 0 20 KJAD CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2nnc(S[C@H](C)C(=O)c3ccc(CCNC(C)=O)cc3)s2)cc1 514389780 MJMCBEHGZSSJDI-HDICACEKSA-N 584.789 4.622 0 20 KJAD CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C(=O)O)[C@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]3[C@H]2C1 1857777022 JQACEEWDPYQFGJ-SIBOWDGYSA-N 518.610 4.681 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2CC(C)C)c1 514293021 ONKGWECTFYDTNU-JOCHJYFZSA-N 625.821 4.549 0 20 KJAD Cn1cnnc1Sc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 494946224 GYHZDYURLJTTAB-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD Cn1ccnc1Sc1ncc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1Cl 508755718 XOSHAZPKIBOKQE-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD CN1CCN(C(=O)c2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)cc2)CC1 511748370 MNDUVPOXGQJSNQ-UHFFFAOYSA-N 500.002 4.833 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](CC)N(C)C)n2-c2ccc(OC)cc2)sc(C(C)=O)c1C 514294407 YYTIHOGYAFQLCM-LJQANCHMSA-N 559.714 4.769 0 20 KJAD O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 514375969 YCSNCAPVJIAHKL-NRFANRHFSA-N 513.660 4.876 0 20 KJAD CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccco1 514394239 KKFYZGRWYKFCPO-ACRUOGEOSA-N 538.718 4.542 0 20 KJAD COC(=O)c1cc(NC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)ccc1Cl 26881118 FELLXKPLMOBMSV-UHFFFAOYSA-N 500.001 4.964 0 20 KJAD CC(C)[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 514385251 FFTAARBSIMNDOH-DVECYGJZSA-N 528.700 4.953 0 20 KJAD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)c12 514390656 SBHZDYNTKRODPP-ZDUSSCGKSA-N 551.572 4.737 0 20 KJAD O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 619083386 IPDWFWIQNWMBIW-UHFFFAOYSA-N 500.002 4.635 0 20 KJAD CCCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 514377371 SKNKUTLNNMUTOI-MRXNPFEDSA-N 502.662 4.521 0 20 KJAD Cc1nc(-c2cccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@@H]3CCS(=O)(=O)C3)c2)cs1 514302971 HMGQNYHYQUIZLB-LJQANCHMSA-N 507.641 4.661 0 20 KJAD O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 514384124 LXHQVPQXZXNMCJ-SFHVURJKSA-N 503.527 4.955 0 20 KJAD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)sc3C2)s1 1816016810 RWQSIWBPTZWMSY-AWEZNQCLSA-N 500.005 4.756 0 20 KJAD Cc1nnsc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 1817405597 HRZDPECZIXZDEU-AWEZNQCLSA-N 500.005 4.756 0 20 KJAD COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CSc1nnc(SCc2ccc(OC)cc2)s1 514300629 QFDGFXVAKQSRJV-UHFFFAOYSA-N 546.740 4.662 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Cl)n2[C@H](C)COC)c1 514375488 PYTJKPYHCOFWOA-GOSISDBHSA-N 566.149 4.876 0 20 KJAD Cc1ccc(NC(=O)NCc2ccnc(N3CCCC3)c2)cc1NC(=O)NCc1ccnc(N2CCCC2)c1 514395874 WFHVFXIBNVDGHD-UHFFFAOYSA-N 528.661 4.629 0 20 KJAD Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 514402554 PANQTWYQIICWCX-FQEVSTJZSA-N 528.078 4.787 0 20 KJAD NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 684393889 SAYGYTLFZVSZEM-LVXARBLLSA-N 500.002 4.830 0 20 KJAD Cc1cc(/C=C/C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5c(Cl)cncc5s4)sc3C2)no1 1815846293 BLTVXSOUQUGKPB-OGOUPESXSA-N 500.005 4.642 0 20 KJAD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 514390464 KRTAGTYORYZVDK-MRXNPFEDSA-N 512.459 4.657 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](c3ccccc3)C3CC3)n2[C@@H](C)COC)c1 514394880 VMURCQHGBXXOMZ-RXFWQSSRSA-N 571.769 4.543 0 20 KJAD CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 514291418 DYLWRBUIPUNECQ-OAQYLSRUSA-N 601.799 4.758 0 20 KJAD CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 514390661 SCUYGTCUJHOERB-UHFFFAOYSA-N 568.640 4.889 0 20 KJAD O=C(CSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)NC12CC3CC(CC(C3)C1)C2 514294156 WSMQNWOGZBNHBW-UHFFFAOYSA-N 566.749 4.587 0 20 KJAD COc1cc(/C=C/C(=O)OC[C@@H]2[C@H](Cc3ccc(O)c(OC)c3)CO[C@H]2c2ccc(O)c(OC)c2)ccc1O 1077995411 NNFCVTSCCNBWCZ-WALVLAEHSA-N 536.577 4.632 0 20 KJAD biogenic CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)Cc3ccc(Cl)s3)n2[C@H](C)COC)c1 514296837 LDDALTJKCFANCP-QGZVFWFLSA-N 586.205 4.649 0 20 KJAD Cc1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)s2)c(=O)n(-c2ccccc2)n1C 514299058 CTXLQVBWEOFVPT-RZUBCFFCSA-N 663.826 4.876 0 20 KJAD CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(CNc3cccc(OC)c3)n2C2CCCCC2)CC1 514383544 GIQHKBZLLOGBNZ-IBGZPJMESA-N 529.707 4.686 0 20 KJAD COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C4CC4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 514300148 UEBHFOZLPXJLCT-CVDCTZTESA-N 508.600 4.564 0 20 KJAD Cc1c(NC(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c(=O)n(-c2ccccc2)n1C 514375460 QTFLBDJWQMYWCN-HXUWFJFHSA-N 597.692 4.772 0 20 KJAD CC[C@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514374768 GTMUJOOUZNWAPC-SFHVURJKSA-N 561.730 4.695 0 20 KJAD COCCCn1c(Sc2nc(C)nc3sc(C(=O)OC)c(C)c23)nnc1-c1ccc(OC)c(OC)c1 514382140 HWTYYHYMSQRSKM-UHFFFAOYSA-N 529.644 4.558 0 20 KJAD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 514386546 RWKWZRABEQICMM-UHFFFAOYSA-N 524.647 4.581 0 20 KJAD Nc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)sc3C2)cs1 1817408406 VRYZSDGDHRWNHB-ZDUSSCGKSA-N 500.005 4.635 0 20 KJAD COCCCn1c(=O)c2ccccc2n2c(S[C@H](C)c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)nnc12 514291984 KVJXQAPPEHCHKZ-LSDHHAIUSA-N 536.683 4.769 0 20 KJAD Cc1ncsc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)sc2C1 1816016655 NHHBLGMMPJRQMC-CQSZACIVSA-N 500.005 4.756 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)Nc1c(C)nn(C)c1C)n2-c1ccc(OC)cc1 514386561 SLUHHZGEYUPZBG-LJQANCHMSA-N 570.741 4.534 0 20 KJAD Cn1cnnc1Sc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 523349352 BFPTZGLBVPQSBE-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nnc(-c2ccncc2)n1C 11978273 NUWPGAZMFDFOST-UHFFFAOYSA-N 500.005 4.776 0 20 KJAD COc1cc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc(OC)c1 514291310 DVBHLWYDXUAGJW-UHFFFAOYSA-N 533.601 4.603 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCC(CCc2ccc(O)cc2)CC1 514392793 CDTRAYJQXHYBJE-UHFFFAOYSA-N 525.498 4.971 0 20 KJAD CC1CCN(c2nnc(SCC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)n2C[C@H]2CCCO2)CC1 514393169 PXWMYZICQQKANK-ZJSXRUAMSA-N 529.707 4.892 0 20 KJAD CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 514405004 PUQNMAPQOOBXCZ-UHFFFAOYSA-N 534.635 4.568 0 20 KJAD Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C 514290882 AYBONXLWNSLJAN-KRWDZBQOSA-N 501.052 4.558 0 20 KJAD O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1)N1CCN(CCN2CCCC2)CC1 514387285 FTVPAXGPMINANC-UHFFFAOYSA-N 567.155 4.589 0 20 KJAD COc1ccc(C(=O)Nc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)cc1S(=O)(=O)N1CCCCCC1 514301308 YTEKLCJQLJNOAC-UHFFFAOYSA-N 570.737 4.704 0 20 KJAD C=CC(=O)N1CCCc2c(C(=O)N3CCC(CNC(=O)OC(C)(C)C)(c4ccccc4)CC3)cccc21 2088604274 BCLFEFMAYNPAFK-UHFFFAOYSA-N 503.643 4.851 0 20 KJAD CCc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2CC(C)C)cc1 514293263 PSYYAANEGWVDCP-OAQYLSRUSA-N 548.713 4.993 0 20 KJAD Cc1cc(NC(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)n(-c2cccc(Cl)c2)n1 726139298 PNEYXJMXGFFGHF-UHFFFAOYSA-N 500.003 4.558 0 20 KJAD CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)n2)o1 514303932 QUQNVDCVPPMGAU-UHFFFAOYSA-N 510.645 4.516 0 20 KJAD CCOc1cc(-c2nnc(S[C@@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)o2)cc(OCC)c1OCC 514381424 FESABCIKSBXNRC-HNNXBMFYSA-N 535.644 4.668 0 20 KJAD C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)c1nc2ccccc2n1C(F)F 514389883 QDHKHCRGPKJUBT-CQSZACIVSA-N 546.518 4.608 0 20 KJAD CCCN(C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 514395840 VEOTWMUXIIPAFD-QAPCUYQASA-N 554.525 4.542 0 20 KJAD CCCCN1C(=O)C[C@H](C(=O)Nc2nnc(S[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)[C@@H]1c1ccc(OC)cc1 514383650 HZIXPCRVWMSDFC-PPNCUWOSSA-N 663.826 4.792 0 20 KJAD C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 514375526 RMTYJWYHNTWEEL-UNMCSNQZSA-N 594.763 4.899 0 20 KJAD COc1ccc(CCC2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CC2)cc1 514381928 BLBMTAUWCTWZNG-UHFFFAOYSA-N 538.632 4.986 0 20 KJAD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC[C@@H]3c3ccc(OC)cc3)CC2)cc1 514386982 BLJRFXSOYAIFTH-AREMUKBSSA-N 500.661 4.639 0 20 KJAD CC(C)OC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)O[C@@H]1[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]1(C)F 199979281 WVORGVRHMQFKTN-SKVGAYPQSA-N 798.695 4.798 0 20 KJAD O=C(CSc1nnc(SCC(=O)Nc2ccnn2C2CCCC2)s1)Nc1ccnn1C1CCCC1 514375338 OPGUDPXVNDDJQF-UHFFFAOYSA-N 532.721 4.623 0 20 KJAD O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 514293200 SFBDGOSFYRCGFC-UHFFFAOYSA-N 564.655 4.760 0 20 KJAD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1 514381043 ZLKSMMWUDRKQKE-YLJYHZDGSA-N 555.619 4.672 0 20 KJAD CCOC(=O)c1csc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)n1 600844175 IQDBKOMMYNIBEO-UHFFFAOYSA-N 500.005 4.952 0 20 KJAD Cc1c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)sc2nc3n(c(=O)c12)CCCCC3 514293208 SITGDTQEZIYNDW-UHFFFAOYSA-N 505.669 4.760 0 20 KJAD O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F 514299512 HACGKRHJLYHZDN-UHFFFAOYSA-N 586.614 4.675 0 20 KJAD Ic1ccc(I)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1 2048529444 XSDJZKRJQVSYGT-INIZCTEOSA-N 506.121 4.654 0 20 KJAD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1cc(OC)c(NC(=O)c3ccccc3)cc1OC)n2CC(C)C 514294868 CKVMSSDQAYVYRO-UHFFFAOYSA-N 590.681 4.596 0 20 KJAD Cc1ccc(C)c(-n2nc(C)c(/C=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2Cl)c1 23164140 HFVOJVPJQOWWDU-LTGZKZEYSA-N 500.006 4.932 0 20 KJAD Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)s2)c(=O)n(-c2ccccc2)n1C 514299052 CTXLQVBWEOFVPT-ONTIZHBOSA-N 663.826 4.876 0 20 KJAD CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2C2CCCCCC2)CC1 514303127 UWMDXNPHVSMGHS-UHFFFAOYSA-N 605.827 4.765 0 20 KJAD CC[C@@H](c1nnc(SCc2nc(O)c3c(-c4ccc(C)s4)csc3n2)n1CCN1CCOCC1)N(C)C 514385129 ZHZYGUZMGMQFPX-SFHVURJKSA-N 559.787 4.663 0 20 KJAD CS(=O)(=O)c1cccc(OC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 916084698 XJTFRHDWONGENI-UHFFFAOYSA-N 500.001 4.689 0 20 KJAD O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)N1N=C(c2cccs2)C[C@H]1c1ccco1 514393022 KZNYRKVDRKHCCB-ICSRJNTNSA-N 526.688 4.572 0 20 KJAD COCCCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)nnc1-c1ccccc1Cl 514395478 LNBXGVQPROPWIE-KRWDZBQOSA-N 519.067 4.791 0 20 KJAD COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)cc[n+]([O-])c2cc1OC 221398141 FKJJTKYQXXLFPS-UHFFFAOYSA-N 517.513 4.779 0 20 KJAD in-vitro CCOc1cc(-c2nnc(S[C@@H](C)C(=O)NCc3cccc(OC)c3)o2)cc(OCC)c1OCC 514395500 MBLALZPFBIEAIV-INIZCTEOSA-N 501.605 4.738 0 20 KJAD CCOC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 200136014 BXFMIILPWULKDH-UHFFFAOYSA-N 528.613 4.542 0 20 KJAD O=C(NC[C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@@H]1c1cccnc1)c1cnc(Cl)s1 1811034345 WQDLDMGONURVNX-AUUYWEPGSA-N 500.005 4.541 0 20 KJAD O=C(O)c1ccc(Br)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1=O 1942246534 QCVZMVUJSJGVJD-UHFFFAOYSA-N 535.394 4.741 0 20 KJAD Nc1c(N(CCC2=CCCCC2)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(O)nc(=O)n1Cc1ccccc1 514299773 IBQJAWVTIVOROE-UHFFFAOYSA-N 591.659 4.634 0 20 KJAD CCOC(=O)c1sc2nc(CN(C)C)nc(Sc3nnc(-c4ccc(OC)cc4)n3C[C@@H]3CCCO3)c2c1C 514380679 SQYGGFCCOCWQOU-IBGZPJMESA-N 568.725 4.835 0 20 KJAD CC(C)(C)OC(=O)n1cc(I)c2cc(-c3cnn(CCO[C@@H]4CCCCO4)c3)cnc21 97973139 WPPCESIVWNEELG-LJQANCHMSA-N 538.386 4.831 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3F)n2[C@H](C)COC)c1 514294344 WTHCKKDEZYJPQU-MRXNPFEDSA-N 570.112 4.706 0 20 KJAD CC[C@@H](c1nnc(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)n1CCN1CCOCC1)N(C)C 514374372 ARMXNRHMWFYCTE-QHCPKHFHSA-N 557.790 4.673 0 20 KJAD Nc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)sc3C2)cs1 1817408405 VRYZSDGDHRWNHB-CYBMUJFWSA-N 500.005 4.635 0 20 KJAD Cc1cnc2c(S(=O)(=O)NC(=O)c3sc(NC(=O)c4ccccc4Cl)cc3C)cccc2c1 916793049 JAFWTWOBLHBEFJ-UHFFFAOYSA-N 500.001 4.938 0 20 KJAD O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 917382605 DYACJXHOUVBRDD-UHFFFAOYSA-N 500.001 4.665 0 20 KJAD O=C1CC[C@@H](N2C(=O)c3cccc(OCCOCCOCCN4CCN(Cc5ccc6cc(C(=O)Nc7cc(NC(=O)c8ccc9c(c8)OCCO9)ccc7Cl)ccc6n5)CC4)c3C2=O)C(=O)N1 1857776516 MYFXVOSCUJQYET-LDLOPFEMSA-N 946.414 4.795 0 20 KJAD Cc1sc2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)n(C(C)C)c(=O)c2c1C 514376646 PHITXRGQFFSGQX-UHFFFAOYSA-N 526.606 4.864 0 20 KJAD COc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c(OC)c1OC 514387608 KKLWFZNTTRGOGE-HNNXBMFYSA-N 515.960 4.529 0 20 KJAD O=C(OCc1csc(-c2ccccn2)n1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 12238954 MCDRUYYMKDGXOC-UHFFFAOYSA-N 500.001 4.694 0 20 KJAD CCCCCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1nc(C)c(C(=O)OCC)s1 514392333 VOIGFQXENCEOIB-UHFFFAOYSA-N 553.611 4.525 0 20 KJAD O=C(NCc1ccc(COCC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 514393026 LGJMFJZPVMQIKW-UHFFFAOYSA-N 539.403 4.789 0 20 KJAD Cn1cnnc1Sc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 494984806 SXAKTXRNUCWLSC-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD CC[C@@H](c1nnc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1-c1ccc(OC)cc1)N(C)C 514392529 XMQKLVPDRJHHTO-FQEVSTJZSA-N 532.066 4.834 0 20 KJAD CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(S(=O)(=O)N(C)c3cc(Cl)c(OC)cc3OC)c2)c(O)nc1=O 514380190 ZBHYJXDTZHSBRC-UHFFFAOYSA-N 636.171 4.520 0 20 KJAD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 514385796 UXGBVZDCUXSDIU-UHFFFAOYSA-N 530.669 4.578 0 20 KJAD O=C([C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 514377206 NDBZOEJAFSJUKQ-CJFMBICVSA-N 512.994 4.611 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3F)n2[C@@H](C)COC)c1 514294343 WTHCKKDEZYJPQU-INIZCTEOSA-N 570.112 4.706 0 20 KJAD COC(=O)C[C@H](NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccc(Br)cc1 514301904 GXBAVGCSIHJPPX-CJNGLKHVSA-N 538.489 4.819 0 20 KJAD CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CSc2nc[nH]n2)cc1OCC 514375064 KVTHVMZZKGRVRV-QFIPXVFZSA-N 540.686 4.860 0 20 KJAD O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)NCc1cc(Cl)c2c(c1)OCCCO2 514385236 DUBODNGDYJNUSD-UHFFFAOYSA-N 506.049 4.640 0 20 KJAD O=C(Nc1nc2c(C(F)(F)F)cccc2s1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 514391785 OPAMYDICXIHQOJ-UHFFFAOYSA-N 515.443 4.627 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](c3ccc(F)cc3)C(C)C)o2)c1 514392192 VKAIEFBOPIRNBF-QFIPXVFZSA-N 520.652 4.512 0 20 KJAD O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 484190102 ONGZGPUOOKGAGF-VWLOTQADSA-N 500.002 4.683 0 20 KJAD C[C@@H](c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1-c1ccc(F)cc1)N(C)C 514301062 XNCARGLXIGQQSF-PGRDOPGGSA-N 525.650 4.646 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 514379523 CADNMIXNVMESTQ-UHFFFAOYSA-N 584.970 4.522 0 20 KJAD CCCCCn1c(CCC(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)nc2c1c(O)nc(=O)n2CCCC 514292196 IBLOTJQFIYMQTM-UHFFFAOYSA-N 654.772 4.910 0 20 KJAD CCCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1)c1c(O)nc(=O)n(CCCC)c1N 514375264 ODZNKXHDXVIEHM-UHFFFAOYSA-N 595.726 4.555 0 20 KJAD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(Cl)s1)c1ccc2c(-c3nccs3)noc2c1 1798926997 RSLBFDUMEFBTIU-BTTYYORXSA-N 500.005 4.627 0 20 KJAD CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO1)c1nc2ccccc2s1 514299995 KBLUHCCGKHOSEU-LJQANCHMSA-N 509.657 4.888 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(C)c4ccccc4n3)n2[C@@H](C)COC)c1 514388219 RBZQCOXEBVCKKN-SFHVURJKSA-N 540.715 4.727 0 20 KJAD CCOc1ccc(CCn2c(SCC(=O)NC3CCN(CC)CC3)nnc2-c2ccc(OC)cc2)cc1OCC 514392604 YYWRZLFICCCGGE-UHFFFAOYSA-N 567.756 4.686 0 20 KJAD CCCCn1c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)nnc1[C@@H](CC)N(C)C 514374714 FTPXIFOGVCKOKN-DYESRHJHSA-N 559.202 4.894 0 20 KJAD Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3csc(-c4ccccc4Cl)n3)cc2)nc(C)n1 589282977 PSCABPCWUOUAKT-UHFFFAOYSA-N 500.005 4.923 0 20 KJAD Cc1cc(/C=C/C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4c(Cl)cncc4s2)CC3)no1 1819936833 DTMSQCJHMYNDAC-OGOUPESXSA-N 500.005 4.642 0 20 KJAD COC(=O)c1csc(C[C@@]2(c3ccc(C#N)cc3)CNC[C@]23C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N3C)c1 198806782 HHZVSSONPYISKZ-SVBPBHIXSA-N 569.470 4.634 0 20 KJAD CCN1CCC(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)CC1 514386428 OYGHTFGBRXRPJC-UHFFFAOYSA-N 504.487 4.993 0 20 KJAD CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(CNc3cccc(OC)c3)n2C2CCCCC2)CC1 514383545 GIQHKBZLLOGBNZ-LJQANCHMSA-N 529.707 4.686 0 20 KJAD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1cc(-c3nnc4n3CCCCC4)ccc1C)n2CC(C)C 514403582 NVEYTMAGIGKNRA-UHFFFAOYSA-N 560.703 4.619 0 20 KJAD CCCCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1c(O)nc(=O)n(CCCC)c1N 514405474 WHDHFQNIUCOIFQ-UHFFFAOYSA-N 517.634 4.771 0 20 KJAD CNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)cc1Cl 918668440 HHIBPRWHCMOULR-UHFFFAOYSA-N 500.001 4.967 0 20 KJAD CCCC[C@H](c1ccc(-c2ccc(F)cc2)s1)c1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1C 2048529369 UOKQKMBNICYTNN-GBHDBXMQSA-N 500.632 4.700 0 20 KJAD O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1ccc(CN2CCCC2=O)cc1 514385137 ZKEYQKQVWAIJOL-UHFFFAOYSA-N 553.603 4.567 0 20 KJAD CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)C2CCCC2)c(O)nc1=O 514386347 LJLQVBGUYOPJKC-UHFFFAOYSA-N 563.684 4.548 0 20 KJAD COCCCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccc(OC)c(OC)c1 514392448 XDTVITREDGDHSF-XMMPIXPASA-N 516.639 4.744 0 20 KJAD CCn1c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 514390741 BGWCXEJZCJBLDU-KRWDZBQOSA-N 524.712 4.572 0 20 KJAD CCc1cc[n+](/C(C(=S)NC2CCN(Cc3ccccc3)CC2)=C(/O)c2ccc3c(c2)CCO3)cc1 920396247 DGOVYMBWONJLBG-UHFFFAOYSA-O 500.688 4.937 0 20 KJAD COC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)OC(C)(C)C2)NC(=O)OCC1c2ccccc2-c2ccccc21 514287215 AJHUUBFUSQKGKT-LJAQVGFWSA-N 662.809 4.989 0 20 KJAD O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 514375970 YCSNCAPVJIAHKL-OAQYLSRUSA-N 513.660 4.876 0 20 KJAD COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1 514395039 BASVZIZUGYQYFG-SFHVURJKSA-N 542.658 4.683 0 20 KJAD O=C(Nc1nc(-c2cccs2)n[nH]1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 917128178 URQAVQDQQQCSFW-UHFFFAOYSA-N 500.005 4.580 0 20 KJAD O=C1N[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)Nc2ccc(N3CCOCC3)cc21 917499801 MKAVGYBHLREIHO-MHZLTWQESA-N 500.002 4.943 0 20 KJAD COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1 473134397 BXJSAMKIFDDLGI-UHFFFAOYSA-N 615.756 4.773 0 20 KJAD CC[C@@H]1CCCCN1CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 514297302 PGTUFICYVGJIQU-OAQYLSRUSA-N 560.120 4.532 0 20 KJAD CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)cc1 514381724 PQTPJJASZSKIHA-LEWJYISDSA-N 556.758 4.620 0 20 KJAD Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3Cl)c12 514382482 MTSWBTOWDBZMCB-CQSZACIVSA-N 523.840 4.645 0 20 KJAD C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 514395088 BWDCQLOROULSSY-NRFANRHFSA-N 518.687 4.558 0 20 KJAD Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@@H](OCc4ccccc4)[C@H](COCc4ccccc4)[C@H]3O)c2n1 575625531 SYPCZZWUNIHLBU-NFWVVERESA-N 551.647 4.712 0 20 KJAD in-vitro CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 12139727 AHRFIFWWCXFMAT-UHFFFAOYSA-N 519.023 4.755 0 20 KJAD COc1ccc(C(=O)N2CCC(C(=O)N3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)CC2)c2ccccc12 514388008 LMLTXZRYBUVJTA-LJAQVGFWSA-N 541.648 4.507 0 20 KJAD COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnc(N3CCCCC3)n1C1CC1)CC2 514393443 BBGKKHJXIVZODX-MHZLTWQESA-N 533.698 4.887 0 20 KJAD CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 514394240 KKFYZGRWYKFCPO-HBMCJLEFSA-N 538.718 4.542 0 20 KJAD CC(C)n1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccc(Cl)cc1Cl 514292933 PMAIXIVDXQFCFX-UHFFFAOYSA-N 508.431 4.503 0 20 KJAD CCN(CC)C(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 514377463 WKURMJWPGNUMBC-UHFFFAOYSA-N 512.459 4.515 0 20 KJAD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1)c1cnc(Cl)s1 1819911362 MVSDMWXDRYIBFR-HNNXBMFYSA-N 500.009 4.658 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2[C@H](C)COC)c1 514290896 AZXBVDUASZTLCQ-QGZVFWFLSA-N 552.122 4.567 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(Cc1ccco1)Cc1cccs1)n2CC 514296264 KZFOIGUWBMNLKA-UHFFFAOYSA-N 528.700 4.903 0 20 KJAD O=C(NCc1ccccc1OC(F)F)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 514402100 FKDVOMVYOYRHCZ-UHFFFAOYSA-N 526.911 4.677 0 20 KJAD Cn1cnnc1Sc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1Cl 502084073 GLSMAWIXJGVCRY-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2n1C(F)F 514393356 XSFKTDMPYJYEHJ-CQSZACIVSA-N 530.519 4.728 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Sc1nnc(NCc2ccco2)s1 514395581 NYPYOIXEOWCNJI-LBPRGKRZSA-N 502.540 4.907 0 20 KJAD C[C@]1(c2ccc(CNCc3cn(Cc4ccccc4)nc3-c3ccc(Cl)cc3)cc2)NC(=O)NC1=O 520218541 IXXBEOFPQSOSIX-MUUNZHRXSA-N 500.002 4.596 0 20 KJAD Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2cc3c(cn2)[C@@H]2[C@@H](C(=O)O)[C@@H]2C3)c1 144677372 CODQKEMYZZKQAE-QPVYNBJUSA-N 521.635 4.728 0 20 KJAD COc1ccc(CSc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC)s2)cc1 514291596 HVUKVUOKYYSOAI-UHFFFAOYSA-N 580.779 4.753 0 20 KJAD O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 514299438 FLFWCQOMTAIGSS-QFIPXVFZSA-N 590.569 4.532 0 20 KJAD CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO1)c1nc2ccccc2s1 514299994 KBLUHCCGKHOSEU-IBGZPJMESA-N 509.657 4.888 0 20 KJAD COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H](C)C(=O)Nc2ncccn2)cc1Cl 11478451 PGUVBZZCCWNKQV-VLURKWGBSA-N 500.005 4.704 0 20 KJAD O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1ccc(N2CCCC2=O)cc1 27077713 SXVLXPZLVQMNFZ-UHFFFAOYSA-O 500.522 4.876 0 20 KJAD CCOc1cc(-c2nnc(SCC(=O)NCCOc3cccc(C)c3)o2)cc(OCC)c1OCC 514301041 WRYYXRKDOMCRRX-UHFFFAOYSA-N 501.605 4.528 0 20 KJAD CN(CCOc1ccc(Br)cc1)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 514383020 BFJAHBRHWJYOTK-UHFFFAOYSA-N 524.253 4.601 0 20 KJAD Cc1ccc(-c2csc3nc(CSc4nnc(N5CCOCC5)n4CC(C)C)nc(O)c23)s1 514383390 INIHTDCHLSFYIB-UHFFFAOYSA-N 502.691 4.810 0 20 KJAD Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)Cc3nc(O)c4ccccc4n3)cc2Cl)n1 727036593 FREQZBIXHCUSFA-UHFFFAOYSA-N 500.005 4.502 0 20 KJAD O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 514290789 BPMAIXZSTPCTMA-KRWDZBQOSA-N 553.632 4.772 0 20 KJAD COc1ccc(CN(C)C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)cc1F 514395945 XRZJKFWEDIAFHF-MJGOQNOKSA-N 523.634 4.892 0 20 KJAD COc1ccc([C@@H]2SC[C@H](NC(=O)[C@@H](C)NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)O)c(OC)c1 1911530846 VCOTXNPPUPDBKS-QQZNYSLQSA-N 576.671 4.605 0 20 KJAD CC[C@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1-c1ccc(OC)cc1)N(C)C 514293064 PDRXLSLGNDXDOZ-RUZDIDTESA-N 586.784 4.502 0 20 KJAD CC(C)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514297409 VZFOOEWVVNWFJX-UHFFFAOYSA-N 656.127 4.732 0 20 KJAD O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 514300376 MVAPWYGSCPJTPF-UHFFFAOYSA-N 548.503 4.505 0 20 KJAD COCCCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccc(OC)c(OC)c1 514395724 RICLMJXCRPEEHK-OALUTQOASA-N 510.660 4.847 0 20 KJAD CCCCCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1c(O)nc(=O)n(CCCC)c1N 514295000 GZGFLMAUJBRQJW-UHFFFAOYSA-N 559.033 4.838 0 20 KJAD CCc1c(C)sc2nc(SC[C@@H](O)COc3ccc(CCC(C)=O)cc3)n(C[C@@H]3CCCO3)c(=O)c12 514387524 OIBOVRCSMFXYDI-UNMCSNQZSA-N 530.712 4.561 0 20 KJAD Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccoc1Cl)CC2 1817399327 DAFFUHOJWYWCQA-GFCCVEGCSA-N 500.005 4.756 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)sc(C(C)=O)c1C 514293988 VNUJMYMNJHQNOD-AWEZNQCLSA-N 533.651 4.509 0 20 KJAD CN(C(=O)CSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1 514378768 JHEPHGMJMXAJQU-UHFFFAOYSA-N 515.701 4.607 0 20 KJAD COc1ccc([C@H]2CCCN2C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1OC 514395666 PVYCLDZNQPETEX-RTBURBONSA-N 514.673 4.659 0 20 KJAD O=C1CC[C@]2(C(=O)Nc3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)Sc3ccccc3N12 483684890 VKMPVIGGUAUTMA-HSZRJFAPSA-N 500.001 4.708 0 20 KJAD C[C@@H](NC(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccc(Br)cc1 514375875 YDIODYAGCBFENR-GOSISDBHSA-N 514.493 4.654 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 514377157 YZHNBQMVCQEAQX-QFIPXVFZSA-N 533.119 4.555 0 20 KJAD Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cs1 11596693 YIBMMQDPJJLZLQ-UHFFFAOYSA-N 500.005 4.773 0 20 KJAD CCCCCN(C(=O)CCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)c1c(O)nc(=O)n(CCCC)c1N 514392897 GVVGQFFRDKUKRV-UHFFFAOYSA-N 550.704 4.522 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 514395580 NYPYOIXEOWCNJI-GFCCVEGCSA-N 502.540 4.907 0 20 KJAD C/C=C/c1cc2n(c(=O)c1CO)Cc1c-2nc2ccc(OC(=O)N3CCC(N4CCCCC4)CC3)cc2c1CC 2048528964 STINZSADYSSQNO-FPYGCLRLSA-N 542.680 4.962 0 20 KJAD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)CC2 1817599395 CYCONDHNXLDTTB-AWEZNQCLSA-N 500.005 4.756 0 20 KJAD Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)s2)c(=O)n(-c2ccccc2)n1C 514299059 CTXLQVBWEOFVPT-SJBKTWHCSA-N 663.826 4.876 0 20 KJAD O=C(N[C@@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1ccc2occ(Cl)c2c1 1817836542 XVKZWQKGHXFJLD-GFCCVEGCSA-N 500.005 4.811 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)sc(C(C)=O)c1C 514292837 MXKKDNJXSOWVAL-GOSISDBHSA-N 546.646 4.743 0 20 KJAD CC1CCN(Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)n2)CC1 514380189 ZBDMMKPAQSWRSH-UHFFFAOYSA-N 531.531 4.721 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3OCCOC)n2[C@H](C)COC)c1 514291056 CMIDHQJOFRXIGD-LJQANCHMSA-N 659.753 4.958 0 20 KJAD O=C(NC[C@H]1CCN(C(=O)c2cnc(Cl)s2)[C@H]1c1cccnc1)c1cc(-c2cccs2)on1 1810847321 XEPKHNAKOJLNMU-KUHUBIRLSA-N 500.005 4.541 0 20 KJAD COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC 514394178 HRXLDRBWPLRBBN-VWLOTQADSA-N 508.640 4.621 0 20 KJAD CN(C)CCn1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccc(Cl)cc2)n1 303107647 JPNJIAMRMAAKOR-UHFFFAOYSA-N 500.006 4.810 0 20 KJAD Cc1cc(C(=O)CSc2nc3ccc(Br)cc3c(=O)n2CC(C)C)c(C)n1[C@H]1CCS(=O)(=O)C1 514381932 XRXJVALGLYFQHH-SFHVURJKSA-N 566.543 4.568 0 20 KJAD CCCn1c(CCC(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514404598 JLSWDEYIYISRJL-UHFFFAOYSA-N 566.671 4.678 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@H](C)c3ccc(F)cc3)n2[C@H](C)COC)c1 514391749 PUXWRKIWNHKQPF-WOJBJXKFSA-N 577.748 4.634 0 20 KJAD CCCn1c(CSc2nnc([C@@H](CC)N(C)C)n2-c2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 514301226 YFTSDJMNJSHEHE-HSZRJFAPSA-N 571.773 4.591 0 20 KJAD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 514303689 YBRQDRPUZXVUOO-UHFFFAOYSA-N 582.428 4.780 0 20 KJAD CCCCN1C(=O)CC[C@H](C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)[C@@H]1c1ccccc1OC 514404291 BADKHANVMKYPQD-CPJSRVTESA-N 524.643 4.766 0 20 KJAD CCCCn1c(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nc2sc(C)c(C)c2c1=O 514374414 BNPGSYBJLQDUOP-GOSISDBHSA-N 500.690 4.727 0 20 KJAD Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 28912288 OQWDRSGFJHFUGN-CJLVFECKSA-N 500.006 4.683 0 20 KJAD COc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1OC 514296494 RFQLCBWOCLYGSX-UHFFFAOYSA-N 576.307 4.577 0 20 KJAD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 514381042 ZLKSMMWUDRKQKE-XLIONFOSSA-N 555.619 4.672 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)n2C[C@H]2CCCO2)cc1 514385821 WCGHJTDCMUJLHF-ATIYNZHBSA-N 538.670 4.510 0 20 KJAD CC(C)[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1ccc2c(c1)OCCO2 514404161 ALQTVVCHECVZPE-HRFSGMKKSA-N 547.681 4.982 0 20 KJAD COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1 514386700 YYRDGAXDUOPRKT-HNNXBMFYSA-N 503.024 4.832 0 20 KJAD CCCCCn1c(CCC(=O)N(CCC)Cc2nc(O)c3ccc(Cl)cc3n2)nc2c1c(O)nc(=O)n2CCCC 514292468 LPDAVSGCJFZFOF-UHFFFAOYSA-N 584.121 4.963 0 20 KJAD Cc1ccc([C@@H](CN2CCOCC2)NCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[nH]2)cc1 514401172 OHKOCWCKCNKFLX-XMMPIXPASA-N 545.709 4.634 0 20 KJAD CCCn1c(CSc2nnc(C3CC3)n2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 514301026 WDUFRWMAEZTOAF-UHFFFAOYSA-N 510.689 4.506 0 20 KJAD CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(=O)N(C)C 59278801 WZFWLTTUNBUKLD-UHFFFAOYSA-N 544.999 4.903 0 20 KJAD COCCCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccccc1Cl 514402215 LVPDNNIZMXMZOC-INIZCTEOSA-N 503.024 4.916 0 20 KJAD O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514376839 IDKNGSRJCXHPNE-FQEVSTJZSA-N 603.377 4.549 0 20 KJAD CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 514374992 JMRMAFJJDZQUMA-UHFFFAOYSA-N 534.730 4.590 0 20 KJAD O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccccc1 514393002 KASWGEHBQGJWLJ-HXUWFJFHSA-N 503.550 4.941 0 20 KJAD COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1 514404832 OEKABAQMILEDNO-UHFFFAOYSA-N 509.632 4.921 0 20 KJAD Cn1c(CCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 514293504 RGZGESQMQOIKMQ-HXUWFJFHSA-N 567.737 4.502 0 20 KJAD COCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(OC)c(OC)c1 514385357 FHZRBZUOAXHROU-INIZCTEOSA-N 502.662 4.840 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)n2C[C@@H]2CCCO2)cc1 514385822 WCGHJTDCMUJLHF-BKMJKUGQSA-N 538.670 4.510 0 20 KJAD CCc1ccc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(N)=O)cc1 1857791598 XZUKPAFXIPNPPA-OSHZCCCVSA-N 784.011 4.757 0 20 KJAD COc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 514377491 YILYEPZZGYFPOI-UHFFFAOYSA-N 556.706 4.548 0 20 KJAD CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)c2)cc1Br 514379650 BWHIPDAPQWDJKP-UHFFFAOYSA-N 578.529 4.513 0 20 KJAD CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 31602888 GDFGYBDOJDYNKQ-NRFANRHFSA-N 500.002 4.595 0 20 KJAD Cc1nc2ncnn2c(C)c1CCC(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 513494123 GEVLXMNFYPSBQZ-UHFFFAOYSA-N 500.006 4.539 0 20 KJAD COCCCn1c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)nnc1-c1ccc(OC)c(OC)c1 514401978 HXYBHEDQXZNPOQ-UHFFFAOYSA-N 550.685 4.841 0 20 KJAD O=C(CSc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2o1)N1CCc2ccccc21 16206953 BJGQFUNLBWGLQY-UHFFFAOYSA-N 500.001 4.963 0 20 KJAD C[C@@H](O[P@](=O)(O)OCc1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 22112654 HOFDVXHILSPFNS-MZNJEOGPSA-N 511.467 4.701 0 20 KJAD CCc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2CC(C)C)cc1 514293260 PSYYAANEGWVDCP-NRFANRHFSA-N 548.713 4.993 0 20 KJAD Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1Sc1nc(/C=C\c2ccccc2)nc2sc3c(c12)CCCC3 514300578 YZRRMXJRTMREHF-YUIUBULTSA-N 537.736 4.997 0 20 KJAD Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)N[C@@H](C)CCCC(C)C 514401938 CJDPMDHCKDERGH-FQEVSTJZSA-N 512.676 4.538 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)sc(C(C)=O)c1C 514293990 VNUJMYMNJHQNOD-CQSZACIVSA-N 533.651 4.509 0 20 KJAD Cc1cc(C(=O)[C@@H](O)[C@@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)NCC(=O)NCC(F)(F)F 2332239882 HSCRXZZPSKLNOP-MJGOQNOKSA-N 559.290 4.600 0 20 KJAD O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 619086277 YZTZVBKOIKQMBD-UHFFFAOYSA-N 500.002 4.635 0 20 KJAD CCc1sc(-c2nnc(CSc3nnc(-c4cccc(S(=O)(=O)N(CC)CC)c4)n3C)o2)cc1C 514297730 RLNJDYRXCUYEAS-UHFFFAOYSA-N 532.717 4.787 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 514383134 ZFANCUJUJLRMNG-KRWDZBQOSA-N 538.066 4.702 0 20 KJAD CCCn1c(CSc2nnc([C@H](CC)N(C)C)n2-c2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 514301230 YFTSDJMNJSHEHE-QHCPKHFHSA-N 571.773 4.591 0 20 KJAD O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 514384123 LXHQVPQXZXNMCJ-GOSISDBHSA-N 503.527 4.955 0 20 KJAD CCOc1cc(-c2nnc(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)o2)cc(OCC)c1OCC 514405195 RPGQIRCQQOSSSA-HNNXBMFYSA-N 506.625 4.572 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2C)sc(C(=O)Nc2ccc(C)cc2C)c1C 514292379 LPDUFUWHIXERGN-UHFFFAOYSA-N 527.672 4.839 0 20 KJAD CC(C)c1ccc(CSc2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)s2)cc1 514376079 BEPBANXFFWXJHP-UHFFFAOYSA-N 502.687 4.624 0 20 KJAD COc1ccc(C(=O)N2CCC(C(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)CC2)c2ccccc12 514388007 LMLTXZRYBUVJTA-GDLZYMKVSA-N 541.648 4.507 0 20 KJAD O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)Nc1ccc(N2CCCCC2)nc1 514395961 YBQBPGDIJZDGIN-HXUWFJFHSA-N 517.659 4.722 0 20 KJAD NCCCCCC(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O 1857776680 YLJAQXWNASQWTQ-MEROQGEASA-N 707.894 4.749 0 20 KJAD CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C2CCCCC2)n1 514374762 HBVYCBOVQDSNTD-UHFFFAOYSA-N 515.661 4.752 0 20 KJAD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)s2)[nH]n1)c1csc(-c2cccnc2)n1 1818149716 NBIKJOSEXTXPLT-OAHLLOKOSA-N 500.009 4.658 0 20 KJAD COc1ccc(-c2nnc(CSc3nc4sc5c(c4c(=O)n3CCCN(C)C)CCCC5)o2)cc1 514390541 NNTVGLRHYVCWOJ-UHFFFAOYSA-N 511.673 4.639 0 20 KJAD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)CC1 514294856 CASBLXWQZIGXSW-QFIPXVFZSA-N 648.601 4.972 0 20 KJAD COc1ccc([C@H]2CCCN2C(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1OC 514402891 SPCJEQSHAXXRKX-GOSISDBHSA-N 503.024 4.521 0 20 KJAD COc1cccc([C@@H](CNC(=O)Nc2ccc(C)c(NC(=O)NC[C@@H](c3cccc(OC)c3)N(C)C)c2)N(C)C)c1 514382530 OLJHVQHVGIWHIL-WDYNHAJCSA-N 562.715 4.861 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)n2C[C@@H]2CCCO2)cc1 514385824 WCGHJTDCMUJLHF-NVQXNPDNSA-N 538.670 4.510 0 20 KJAD COCCCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccc(OC)c(OC)c1 514392447 XDTVITREDGDHSF-DEOSSOPVSA-N 516.639 4.744 0 20 KJAD CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1 514393613 HCZZBOXMQVKEJX-QFIPXVFZSA-N 574.103 4.869 0 20 KJAD CC(C)(C)C(=O)OC[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1857787818 PLXCBOJERHYNCS-WRTQPQOASA-N 600.746 4.764 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2CC(C)C)c1 514375595 SJZWPDJTNZXEAR-UHFFFAOYSA-N 519.668 4.502 0 20 KJAD COC(=O)Cc1sc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)nc1-c1ccccc1 521250255 RPZZFYFSZKJLKQ-QHCPKHFHSA-N 500.001 4.747 0 20 KJAD O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 642548049 ACODCMAWBHAUPN-UHFFFAOYSA-N 500.001 4.724 0 20 KJAD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnoc1C1CC1)CC2)c1cc2c(Cl)cncc2s1 1815842989 OBIUJLMMYYEUGS-LLVKDONJSA-N 500.005 4.811 0 20 KJAD CC[C@@H](C)n1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514374474 CINSOKPRUXLDPY-GOSISDBHSA-N 558.730 4.636 0 20 KJAD C[C@@H](c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1-c1ccc(F)cc1)N(C)C 514375740 VDMNAONYNFVFSF-INIZCTEOSA-N 552.598 4.615 0 20 KJAD Cc1ccccc1[C@H](OC[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 514382820 AEXAVIQCLNJLOY-PWUYWRBVSA-N 541.614 4.737 0 20 KJAD CCOc1cc(C(=O)Nc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)ccc1OCC(=O)N1CCCCC1 514391535 MEQSGGHWSVCYSN-UHFFFAOYSA-N 564.708 4.921 0 20 KJAD O=C(CCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 514391359 IAEDAGJNDUADIT-KRWDZBQOSA-N 582.173 4.744 0 20 KJAD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)n2)s1 514300187 LHJIKBHKVMYNMD-UHFFFAOYSA-N 532.713 4.713 0 20 KJAD CC(C)[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)N(C)c1ccccc1 514403494 ZHDGURGZIMHWOA-JOCHJYFZSA-N 514.673 4.691 0 20 KJAD CCCCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)nnc1[C@@H](CC)N(C)C 514374684 FDHNMQMVAMKVOD-LJQANCHMSA-N 518.709 4.962 0 20 KJAD CCCn1c(CCC(=O)N[C@H]2CCSc3ccc(F)cc32)nc2cc(S(=O)(=O)N3CCCC3)ccc21 514404121 ZGDGCKPWVJHQQK-NRFANRHFSA-N 530.691 4.656 0 20 KJAD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 514404521 GIUMOCQWZQAXAN-UHFFFAOYSA-N 567.668 4.561 0 20 KJAD C[C@]1(c2ccc(CNCc3cn(Cc4ccccc4Cl)nc3-c3ccccc3)cc2)NC(=O)NC1=O 521831887 VPUAXACKJREWDY-MUUNZHRXSA-N 500.002 4.596 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)sc(C(=O)N(C)C)c1C 514290830 CCPHLOBGOMYHNB-QGZVFWFLSA-N 596.735 4.585 0 20 KJAD CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(CN3CCCC3=O)o2)c2ccccc2)sc2c1CCCC2 514301892 GIYQPAFIHJRHDN-QFIPXVFZSA-N 540.667 4.781 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2[C@@H](C)COC)c1 514375566 RQGDKYBUUTZSIE-KRWDZBQOSA-N 582.148 4.576 0 20 KJAD CCOc1cc(-c2nnc(SCC(=O)N(C)Cc3ccc(OC)c(F)c3)o2)cc(OCC)c1OCC 514384369 NVFWNBVCPJCQSS-UHFFFAOYSA-N 519.595 4.831 0 20 KJAD C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2n1C(F)F 514393355 XSFKTDMPYJYEHJ-AWEZNQCLSA-N 530.519 4.728 0 20 KJAD Cc1noc(-c2ccccc2)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc(Cl)s3)sc2C1 1820782626 FYXMINDBPNHRKH-ZDUSSCGKSA-N 500.005 4.756 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO1 514292402 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CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(Cc1nnc(-c3ccc(Cl)cc3)o1)C1CC1)n2CC(C)C 514376473 AWRVYHJSUXYKAU-UHFFFAOYSA-N 568.078 4.582 0 20 KJAD CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 514388934 VQJDWNIDSUVBGN-LPHOPBHVSA-N 553.537 4.816 0 20 KJAD O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@H]1c1cccnc1)c1cnc(Cl)s1 1811034348 WQDLDMGONURVNX-LIRRHRJNSA-N 500.005 4.541 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nnc(-c4ccco4)o3)n2CC(C)C)c1 514375571 RSZPTQZEPLBWCT-UHFFFAOYSA-N 516.649 4.567 0 20 KJAD Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1C1CCCCC1 514375731 UUNGBPGTNCXSTA-UHFFFAOYSA-N 550.106 4.702 0 20 KJAD C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)cc2)C1 514376499 BILLBYZRQVGBQL-KRWDZBQOSA-N 515.035 4.615 0 20 KJAD Cn1ccnc1Sc1ncc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1Cl 509411981 VXYFBTCSUVRARH-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD Cc1sc2nc(CS[C@H](C)C(=O)Nc3cc(Br)ccc3N3CCOCC3)nc(O)c2c1C 514300320 OMPIYNZFKVHABZ-CQSZACIVSA-N 537.505 4.873 0 20 KJAD C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)N(Cc3ccco3)CC(F)(F)F)n2Cc2ccco2)C1 514394870 VHNJEVLKXUWFKK-IRXDYDNUSA-N 511.570 4.678 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](c3ccccc3)C3CC3)n2[C@H](C)COC)c1 514394878 VMURCQHGBXXOMZ-FQRUVTKNSA-N 571.769 4.543 0 20 KJAD CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514292886 NJVINEGYNGMOSE-UHFFFAOYSA-N 569.709 4.522 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(Br)cc3)n2C[C@H]2CCCO2)cc1 514293462 VCNGEEUDEAUBPO-HRAATJIYSA-N 531.476 4.865 0 20 KJAD COc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n2C2CCCCC2)c1 514384923 WTYPGVRORFNRDC-KRWDZBQOSA-N 508.648 4.622 0 20 KJAD CCn1c(S[C@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514375126 LHABGGPYCHQFKA-MRXNPFEDSA-N 544.728 4.930 0 20 KJAD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)CC1 514388928 VLENNGQIFSRMLJ-HSZRJFAPSA-N 501.674 4.783 0 20 KJAD Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cc(Br)ccc3N3CCOCC3)nc(O)c2c1C 514300319 OMPIYNZFKVHABZ-AWEZNQCLSA-N 537.505 4.873 0 20 KJAD COC(=O)C[C@H](NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccc(Br)cc1 514301903 GXBAVGCSIHJPPX-BBRMVZONSA-N 538.489 4.819 0 20 KJAD CCc1ccccc1NC(=O)CNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1 514385559 MKFOPCVAWZKXLA-UHFFFAOYSA-N 537.686 4.877 0 20 KJAD COc1ccc(CN(C)C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)cc1F 514395946 XRZJKFWEDIAFHF-PKOBYXMFSA-N 523.634 4.892 0 20 KJAD CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)[C@@H]1CCN(C)C(=O)C1=O 118787086 NZWFIHXYNGZBKH-OAQYLSRUSA-N 599.047 4.862 0 20 KJAD O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 595652966 WDWOIVMQNDUGJJ-HSZRJFAPSA-N 500.002 4.857 0 20 KJAD COC(=O)c1cc(NC(=O)CSc2nnc(CNc3cccc(OC)c3)n2C2CCCCC2)cc(C(=O)OC)c1 514384612 RGIAOWHWSCGXMM-UHFFFAOYSA-N 567.668 4.708 0 20 KJAD C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)c1nc2ccccc2n1C(F)F 514389882 QDHKHCRGPKJUBT-AWEZNQCLSA-N 546.518 4.608 0 20 KJAD O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc(NS(=O)(=O)c2cccs2)c1 614182633 AIXSCEHRLAVOJZ-UHFFFAOYSA-N 500.001 4.665 0 20 KJAD O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCc1nc2ccccc2[nH]1)c1ccccc1Cl 21528485 KCBHTRIJZRJJJM-VWLOTQADSA-N 500.002 4.788 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)sc(C(=O)N(C)C)c1C 514293610 WJBBKHKUCDPRSN-UHFFFAOYSA-N 606.723 4.912 0 20 KJAD C[C@@H]1CCc2c(sc3nc([C@@H](C)N4CCN(CC(=O)Nc5ccccc5C(F)(F)F)CC4)nc(O)c23)C1 514299847 JRBIEFMXYGDETH-HZPDHXFCSA-N 533.620 4.858 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1 514391854 PGKINWRNHDTNHZ-UHFFFAOYSA-N 523.659 4.510 0 20 KJAD Cc1c(C)c(S(=O)(=O)N(C)C(=N)NCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c2c1OC(C)(C)C2 514287253 MZIOWVCUXXEMLE-MUUNZHRXSA-N 648.782 4.852 0 20 KJAD Cc1ccc(-c2csc3nc(SCC(=O)Nc4c(C)n[nH]c4C)n(C[C@H]4CCCO4)c(=O)c23)cc1 514376575 OEKOEJQGHUCKCX-GOSISDBHSA-N 509.657 4.683 0 20 KJAD O=C(CCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 514391360 IAEDAGJNDUADIT-QGZVFWFLSA-N 582.173 4.744 0 20 KJAD CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C(F)(F)F)c1 514393635 IAUQEVAHDWWONK-UHFFFAOYSA-N 554.410 4.527 0 20 KJAD COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nccc43)[C@H](O)[C@H]2F)(c2ccccc2)c2ccc(OC)cc2)cc1 725326881 CNLOMNYYOJOMOS-LBWLPYLASA-N 571.605 4.759 0 20 KJAD Nc1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)CC3)s1 1815190212 RVVZVQLJJZLWGH-ZDUSSCGKSA-N 500.005 4.635 0 20 KJAD Cc1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)s2)c(=O)n(-c2ccccc2)n1C 514300947 UKGWSMOSNUMCMW-VBUCEZPYSA-N 651.859 4.751 0 20 KJAD C[C@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)N(c1nccs1)C1CCCCC1 514394593 OWCQQPCYMQFNRX-IBGZPJMESA-N 597.788 4.590 0 20 KJAD CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)ccc2OC)cc1 514387645 HEHBMWKNUJSRDP-UHFFFAOYSA-N 514.648 4.545 0 20 KJAD O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCc1nc2ccccc2[nH]1)c1ccccc1Cl 21528488 KCBHTRIJZRJJJM-RUZDIDTESA-N 500.002 4.788 0 20 KJAD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 514374742 GHHHKIACTSBFFQ-IBGZPJMESA-N 577.176 4.757 0 20 KJAD Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)c2c1 730516538 MOFONKRIJWDQTH-UHFFFAOYSA-N 500.002 4.655 0 20 KJAD O=C(CSc1nnc(C2CC2)n1Cc1ccco1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 514392616 ZMQHKYADOBVCNV-UHFFFAOYSA-N 511.007 4.784 0 20 KJAD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1cc(Br)ccc1N1CCOCC1 514381904 BCQMCSYPNURENN-FQEVSTJZSA-N 576.492 4.593 0 20 KJAD CC(=O)NCCc1ccc(/C(O)=C(/C(=S)NCc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1 726571237 UVUKVLUNZSDJJT-UHFFFAOYSA-O 500.566 4.673 0 20 KJAD Cc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1S(=O)(=O)N1CCCCC1 514294298 ZUEQATCRYBTHSH-UHFFFAOYSA-N 517.051 4.924 0 20 KJAD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]3c3ccccc3)CC2)cc1 514377211 NDRJHVUCTDQQHJ-PMERELPUSA-N 564.704 4.678 0 20 KJAD COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)c1 514385986 YPWNBYZMKTXQNH-MJGOQNOKSA-N 521.643 4.592 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)n2[C@H](C)COC)c1 514391746 PUXWRKIWNHKQPF-UXHICEINSA-N 577.748 4.634 0 20 KJAD Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc(Cl)s3)sc2C1 1820781572 LCHQIPZNEZSQSB-ZDUSSCGKSA-N 500.005 4.756 0 20 KJAD CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(COc4ccccc4Cl)n3C3CC3)ccc21 514384064 KHIZFYBEHYRALS-UHFFFAOYSA-N 533.075 4.533 0 20 KJAD CCCCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)nnc1[C@H](CC)N(C)C 514374683 FDHNMQMVAMKVOD-IBGZPJMESA-N 518.709 4.962 0 20 KJAD COc1cc(-c2nnc(S[C@H](C)C(=O)NCC(F)(F)F)n2C2CCCCC2)cc(OC)c1OC 514374982 JEMRXTCBOGIKMC-CYBMUJFWSA-N 502.559 4.635 0 20 KJAD COc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)NCCc2ccc(OC)c(OC)c2)N2CCCC2)cc1 514381087 WVWYMSYBLNRKCM-HHHXNRCGSA-N 577.747 4.730 0 20 KJAD Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)s2)c(=O)n(-c2ccccc2)n1C 514383672 IKWYHKXAQCODBX-NRFANRHFSA-N 683.882 4.618 0 20 KJAD Cc1sc2nc(S[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n(C(C)C)c(=O)c2c1C 514293073 RHXCFMZXWVRDQF-KRWDZBQOSA-N 511.673 4.573 0 20 KJAD CCCOc1ccc(CN(CCC)C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1OC 514388723 XEXIEQRWBZJHAW-UHFFFAOYSA-N 507.557 4.929 0 20 KJAD Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 514294436 ZPQKLCNTFSZSNY-DEOSSOPVSA-N 654.859 4.714 0 20 KJAD Cc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514376824 HOLHUPAAANYLFF-UHFFFAOYSA-N 530.282 4.868 0 20 KJAD COc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n2C2CCCCC2)c1 514384924 WTYPGVRORFNRDC-QGZVFWFLSA-N 508.648 4.622 0 20 KJAD CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H](C)C(=O)NC(=O)NCC(F)(F)F 514389158 ASUAAUDSPBNXEU-GFCCVEGCSA-N 507.966 4.740 0 20 KJAD CCOc1cc(Br)c(CC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1OCC 514394812 TVRQNJILXVFZRM-LJQANCHMSA-N 520.424 4.728 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 514378028 CSYVMGPOLYVRGF-FQEVSTJZSA-N 525.454 4.529 0 20 KJAD CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 514382019 DIUYESJTGJGAQX-UHFFFAOYSA-N 555.726 4.508 0 20 KJAD CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]1[C@H]2C(=O)O 1857777021 JQACEEWDPYQFGJ-AOYLRGCGSA-N 518.610 4.681 0 20 KJAD CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c(O)nc1=O 514405392 VFYPRQHFLKBCSN-UHFFFAOYSA-N 519.524 4.840 0 20 KJAD O=S1(=O)NS(=O)(=O)c2c(I)cc3ccccc3c2-c2c1c(I)cc1ccccc21 198016486 IZBXLTFYQCHMGY-UHFFFAOYSA-N 647.253 4.850 0 20 KJAD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 514302098 AYXVDCPXCLEVPQ-HXUWFJFHSA-N 565.593 4.849 0 20 KJAD CCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccc(C(C)(C)C)cc1 514384622 RPDJXWIARHFIGQ-FQEVSTJZSA-N 532.757 4.632 0 20 KJAD C[C@@H](Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1)c1ccccc1 514386647 WODRDUZAPMSNAE-IBGZPJMESA-N 514.673 4.711 0 20 KJAD Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 514402558 PANQTWYQIICWCX-HXUWFJFHSA-N 528.078 4.787 0 20 KJAD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C1CCN(S(=O)(=O)c3ccc(C)cc3)CC1)CC2 514293676 VHFWMFWUNNQFFA-MHZLTWQESA-N 540.707 4.649 0 20 KJAD CCOCCCn1c(SCC(=O)N(Cc2ccco2)CC(F)(F)F)nc2cc(Cl)ccc2c1=O 514384629 RJCQILCWISUZTO-UHFFFAOYSA-N 517.957 4.753 0 20 KJAD C[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)Nc1ccc(N2CCCC2=O)cc1 514395126 CTSQIRKQJWVSJU-AQNXPRMDSA-N 522.675 4.648 0 20 KJAD CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 514291640 HIGHSBREPMDKIR-ZDUSSCGKSA-N 526.606 4.930 0 20 KJAD C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 514395175 DUPUWGRZYDPYQG-JKSUJKDBSA-N 534.107 4.719 0 20 KJAD CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2)cc1 514404845 OLZIBTNXRBLSBB-DEOSSOPVSA-N 549.741 4.800 0 20 KJAD N=c1nc(OCc2ccccc2)c2ncn([C@H]3C[C@H](OCc4ccccc4)[C@@H](COCc4ccccc4)C3=O)c2[nH]1 2048529225 RBBSLTXXLOHEKW-PVHODMMVSA-N 549.631 4.750 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(O)c4c5c(sc4n3)CCCC5)o2)c1 514375200 LZDDXTFFDJNOFV-UHFFFAOYSA-N 531.685 4.649 0 20 KJAD Cc1nc(-c2ccccn2)sc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccoc3Cl)sc2C1 1821808390 PJYPUNUILOIZLD-LBPRGKRZSA-N 500.005 4.756 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)sc(C(C)=O)c1C 514300406 NYEKJJXHEFKRGG-UHFFFAOYSA-N 504.659 4.745 0 20 KJAD CCCNC(=O)CSc1nnc(SCC(=O)c2cc(C)n(CCc3ccc(OC)c(OC)c3)c2C)s1 514376727 QBTKHEOEFBXSNC-UHFFFAOYSA-N 548.756 4.810 0 20 KJAD COc1cc(-c2nnc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)o2)cc(OC)c1OC 108995612 DQMYNJWKXMONBI-HNNXBMFYSA-N 515.617 4.554 0 20 KJAD CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2)cc1 514404846 OLZIBTNXRBLSBB-XMMPIXPASA-N 549.741 4.800 0 20 KJAD CCc1cccc[n+]1/C(C(=S)NC1CCN(Cc2ccccc2)CC1)=C(/O)c1ccc2c(c1)CCO2 920396422 KYALEQHXAFPKCX-UHFFFAOYSA-O 500.688 4.937 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)n2C2CCCCC2)c1 514300583 OSCUJORAPBFRLB-UHFFFAOYSA-N 529.688 4.751 0 20 KJAD COc1ccc(NC(=O)CCSc2nnc(-c3cccs3)n2C2CC2)cc1S(=O)(=O)N1CCCCC1 514392894 GTEBLVAAIYISGL-UHFFFAOYSA-N 547.728 4.646 0 20 KJAD COc1ccc(CN2CCCN(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1 514393886 ALHXWJLYEORKIT-UHFFFAOYSA-N 510.988 4.713 0 20 KJAD CCCCn1c(CCC(=O)N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)nc2c1c(O)nc(=O)n2CCCC 514403327 YKJDIMFPDKRBPM-UHFFFAOYSA-N 546.672 4.637 0 20 KJAD CN(c1ccc(OC(=O)Cc2csc(-c3cccnc3)n2)cc1)S(=O)(=O)c1ccc(Cl)cc1 743892648 XESYBQJIHJCGMR-UHFFFAOYSA-N 500.001 4.832 0 20 KJAD CCc1ccc(C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(N)=O)cc1 1857791597 XZUKPAFXIPNPPA-OCMUYZLISA-N 784.011 4.757 0 20 KJAD O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 514292880 OZNYWGLFYMMQKZ-UHFFFAOYSA-N 574.673 4.899 0 20 KJAD CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 514404858 LLQLBJLGXMEYRC-LJQANCHMSA-N 518.580 4.622 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)n2CC(C)C)cc1 514385801 VEORUURLARVSTN-UHFFFAOYSA-N 590.672 4.504 0 20 KJAD Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)c12 514390655 SBHZDYNTKRODPP-CYBMUJFWSA-N 551.572 4.737 0 20 KJAD COc1cccc(-c2nc(CN3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)cs2)c1OC 514400850 CKAZPBDTYVIWSV-UHFFFAOYSA-N 520.577 4.602 0 20 KJAD Cc1noc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(Cl)s1)CC2 1817355805 AASDREHJTHWJJF-ZDUSSCGKSA-N 500.005 4.756 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2[C@H](C)COC)c1 514375569 RQGDKYBUUTZSIE-QGZVFWFLSA-N 582.148 4.576 0 20 KJAD COc1ccc([C@H](CNC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)N2CCCCC2)cc1 514290870 ASEQNNBVYXSYIQ-VWLOTQADSA-N 505.688 4.648 0 20 KJAD NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(CNc3cccc(C(F)(F)F)c3)n2C2CCCCC2)cc1 514300576 OPVPPBLVDOEKMO-UHFFFAOYSA-N 568.647 4.792 0 20 KJAD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)c12 514404438 HLSLUGFNKFHEIW-KRWDZBQOSA-N 542.086 4.930 0 20 KJAD O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1cccc(OCc2cscn2)c1 783663083 VRBNYXZDLVOULZ-KEBDBYFISA-N 500.001 4.842 0 20 KJAD O=C(Cc1csc(N2CCCC2=O)n1)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 19476962 SFACCHXGJWGYBB-UHFFFAOYSA-N 500.001 4.839 0 20 KJAD CC(C)C(=O)Nc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(O)c2)cc1 27188005 QZHGPEROVPUKPU-UHFFFAOYSA-O 500.547 4.927 0 20 KJAD CC(C)Cn1c(SCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1Cl 514393492 CNKSJULRJYYDDN-UHFFFAOYSA-N 582.579 4.970 0 20 KJAD COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O)[C@@H]2F)(c2ccccc2)c2ccc(OC)cc2)cc1 725326891 DHDSAIMYCCHNMS-UNVYQVKTSA-N 657.699 4.749 0 20 KJAD COc1cc2[nH]ccc(=Nc3ccc(OC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC 2048532481 UXRSYAPZRHSOHP-UHFFFAOYSA-N 501.514 4.881 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C)[C@H]1CCS(=O)(=O)C1 514293086 RONSPSMDZWPDIP-INIZCTEOSA-N 519.520 4.741 0 20 KJAD Cc1c(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nnn1-c1ccc(-c2ccccc2)cc1 519456479 JXERFXSPTHUDDZ-UHFFFAOYSA-N 500.002 4.884 0 20 KJAD CCCNC(=O)CSc1nnc(SCC(=O)Nc2c(Br)cc(C)cc2Br)s1 514293799 YJCCJQNRRBBCPN-UHFFFAOYSA-N 554.355 4.721 0 20 KJAD COc1cc2c(cc1OC)CN(C(=O)CSc1nnc([C@H](C)N3CCCCC3)n1-c1ccccc1)CC2 514386119 DNYHWEWEMCTGPR-FQEVSTJZSA-N 521.687 4.508 0 20 KJAD CC(=O)Nc1nc(COC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cs1 799739527 JAOLJEFZIJJENR-UHFFFAOYSA-N 500.005 4.838 0 20 KJAD COc1cc(-c2nnc(CSc3nnc(CN4CCCCC4)n3Cc3ccccc3)o2)cc(OC)c1OC 514375703 VIAXHHOVVQYWHO-UHFFFAOYSA-N 536.658 4.680 0 20 KJAD C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 514405443 WLRSBPSPBLYMHR-QHCPKHFHSA-N 582.796 4.606 0 20 KJAD CC1CCN(c2nnc(SCC(=O)N[C@H](c3ccccc3)c3cccs3)n2C[C@H]2CCCO2)CC1 514402114 FUSPDKFRPITQFP-ZJSXRUAMSA-N 511.717 4.753 0 20 KJAD CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)c1C 514375863 XTDCCFAPOYOWGV-QGZVFWFLSA-N 507.616 4.702 0 20 KJAD Cc1c(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(=O)n(-c2ccccc2)n1C 514380105 FIBUXYJNUQNUQB-SFYKDHMMSA-N 506.672 4.770 0 20 KJAD Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)NCc2nnc3ccccn23)n1C1CCCCC1 514382669 VBPHQFKXHFPGNC-UHFFFAOYSA-N 526.066 4.775 0 20 KJAD CCOc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 514386447 PPDRSSKYPAPBFZ-PQDREZMGSA-N 516.646 4.738 0 20 KJAD CCOc1ccc([C@H](NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C(C)C)cc1OCC 514392560 YBAFJGCQTQDERE-HSZRJFAPSA-N 534.583 4.670 0 20 KJAD COc1ccc(CN(C)C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)cc1F 514395943 XRZJKFWEDIAFHF-HKUYNNGSSA-N 523.634 4.892 0 20 KJAD C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 514375525 RMTYJWYHNTWEEL-RBBKRZOGSA-N 594.763 4.899 0 20 KJAD CCCCn1c(CCC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)nc2cc(S(=O)(=O)N3CCCC3)ccc21 514381151 ZILAWTCHGSOABN-UHFFFAOYSA-N 580.538 4.615 0 20 KJAD CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)cc1 514381726 PQTPJJASZSKIHA-RTWAWAEBSA-N 556.758 4.620 0 20 KJAD CCN1CCC(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2-c2cccc(C(F)(F)F)c2)CC1 514404267 AMUYELCIQYWYQL-UHFFFAOYSA-N 549.619 4.566 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1)c1c(O)nc(=O)n(CC(C)C)c1N 514375776 WVAFPDAMBCAPNR-UHFFFAOYSA-N 613.785 4.893 0 20 KJAD O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1 514385532 KTIIIBYFCHSCCZ-IBGZPJMESA-N 520.680 4.684 0 20 KJAD CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 514391068 ZAWYQBSMXOISQY-UHFFFAOYSA-N 550.867 4.674 0 20 KJAD Nc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)sc3C2)s1 1817407148 IOFGZONRYILTTO-ZDUSSCGKSA-N 500.005 4.635 0 20 KJAD CC[C@@H](C)n1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514290966 BNPUYHSHFJXLQB-HSZRJFAPSA-N 696.900 4.621 0 20 KJAD CCCCCN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1c(O)nc(=O)n(CCCC)c1N 514375520 QZBUTLOKCOKCOP-UHFFFAOYSA-N 590.150 4.806 0 20 KJAD CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(O)nc1=O 514379384 RGIZLQOHBUPBCH-UHFFFAOYSA-N 642.100 4.638 0 20 KJAD O[C@@H](COc1ccc(Br)cc1)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 514387875 SLJXNWMAMGREBL-ICSRJNTNSA-N 508.413 4.558 0 20 KJAD CCCCn1c(N)c(N(C(=O)CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)C2CCCC2)c(O)nc1=O 514401378 WDLUMLOPMTUACL-UHFFFAOYSA-N 584.699 4.916 0 20 KJAD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)[nH]n1)c1cnc(Cl)s1 1819911634 XLPFLDPTAHLSRS-AWEZNQCLSA-N 500.009 4.658 0 20 KJAD Cc1ccc(NC(=O)c2sc3[nH]c(CSc4nnc(NC[C@H]5CCCO5)s4)nc(=O)c3c2C)c(C)c1 514390084 XFPNVTNSDRBYID-OAHLLOKOSA-N 542.712 4.897 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc3n2CCCCC3)sc(C(=O)Nc2ccccc2)c1C 514290824 AKWOYRBSAZJWNH-UHFFFAOYSA-N 513.645 4.534 0 20 KJAD CCn1c(CSc2nnc(SCc3ccc(OC)cc3)s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514292484 MWMYKARLRNEEGD-UHFFFAOYSA-N 577.779 4.522 0 20 KJAD COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 514293192 SBVLTONRKDJUNE-HXUWFJFHSA-N 555.981 4.677 0 20 KJAD Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc4c(C(F)(F)F)cccc4s3)c12 514383276 FYQGDKUPGSHRKH-CYBMUJFWSA-N 535.573 4.858 0 20 KJAD CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 514386010 ZHCHLUTVJRIZCY-UHFFFAOYSA-N 597.767 4.589 0 20 KJAD Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 514402557 CMSWESRTFGRJAR-UHFFFAOYSA-N 532.504 4.915 0 20 KJAD O=P(O)(O)Oc1ccc(C(=C(c2ccc(OP(=O)(O)O)cc2)c2ccc(OP(=O)(O)O)cc2)c2ccc(OP(=O)(O)O)cc2)cc1 1975719702 AYHRFTLMQNEAGA-UHFFFAOYSA-N 716.358 4.580 0 20 KJAD CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 514291586 HTTAMEXMPSJTQA-UHFFFAOYSA-N 500.646 4.765 0 20 KJAD CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)n2Cc2ccco2)cc1 514384817 XXVUJHXOORAJHQ-QHCPKHFHSA-N 556.754 4.934 0 20 KJAD COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1 514386641 WJIJKBGVPDAYOM-HZPDHXFCSA-N 504.056 4.530 0 20 KJAD O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CCN(c2nc3ccccc3o2)CC1 514393137 OYFLQOJQXNYWLO-UHFFFAOYSA-N 503.024 4.511 0 20 KJAD CCCNC(=O)CSc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC)c(OC)c2)s1 514376350 JBGUIFRPVVMDPH-QGZVFWFLSA-N 577.779 4.705 0 20 KJAD CCOCCCn1c(SCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)nc2cc(Cl)ccc2c1=O 514381970 YDAUZFJFDBKSKE-UHFFFAOYSA-N 547.033 4.845 0 20 KJAD COc1ccc(CCn2c(SCc3nn4c(=O)cc(C)nc4s3)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 514391671 MWAVGABWQCFCCR-OAHLLOKOSA-N 595.772 4.908 0 20 KJAD CCc1c(C)sc2nc(SCC(=O)Nc3ccccc3OC(F)F)n(C[C@@H]3CCCO3)c(=O)c12 514375923 WWKPXQLZOJDEJH-AWEZNQCLSA-N 509.600 4.840 0 20 KJAD CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nnc(COc4ccccc4Cl)n3C3CC3)ccc21 514385006 WQLJAXYOMACMRU-UHFFFAOYSA-N 533.075 4.533 0 20 KJAD C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)cc2)C1 514376501 BILLBYZRQVGBQL-QGZVFWFLSA-N 515.035 4.615 0 20 KJAD Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)cc2)nc(C)n1 514484477 FROBYLYUFMXIBG-UHFFFAOYSA-N 500.005 4.923 0 20 KJAD CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 514379549 CYBBXXHWCOJHFS-GOSISDBHSA-N 579.870 4.717 0 20 KJAD COCCCn1c(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccc(OC)c(OC)c1 514395657 PPEXHEDTCLUZRH-MRXNPFEDSA-N 537.057 4.931 0 20 KJAD C[C@H](Sc1nnc(S[C@H](C)C(=O)N2CCc3sccc3C2)s1)C(=O)N1CCc2sccc2C1 514395813 URKFJHKXUGBWSJ-OKILXGFUSA-N 536.795 4.792 0 20 KJAD CC[C@H](c1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1CCN1CCOCC1)N(C)C 514291602 GXQTYWIRJVCPDI-AMDXRBSFSA-N 600.189 4.728 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC(C)C)sc(C(=O)NC)c1C 514292355 KLIQEQWHDQBSPN-UHFFFAOYSA-N 595.143 4.502 0 20 KJAD CCCCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1c(O)nc(=O)n(CCCC)c1N 514382338 JSUJXRMEIUUXIV-UHFFFAOYSA-N 534.480 4.593 0 20 KJAD CC[C@H](c1nnc(SCc2nc(O)c3c(-c4ccc(C)s4)csc3n2)n1CCN1CCOCC1)N(C)C 514385128 ZHZYGUZMGMQFPX-GOSISDBHSA-N 559.787 4.663 0 20 KJAD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1snnc1C1CC1)CC2)c1ccc2occ(Cl)c2c1 1821432588 RXQIIZIGILALFC-LBPRGKRZSA-N 500.005 4.811 0 20 KJAD CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1 514386430 PAJCCHYBYPKMDN-UHFFFAOYSA-N 582.796 4.606 0 20 KJAD Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnc(N4CCCCC4)n3Cc3ccco3)c2C)cc1 514392868 FVGYSHYDXVKPOI-UHFFFAOYSA-N 505.648 4.751 0 20 KJAD O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 514303195 VJJPPYKWFVBFBJ-UHFFFAOYSA-N 510.456 4.686 0 20 KJAD CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)cc1 514389116 ZKCWVDIGHDOCPU-KRWDZBQOSA-N 500.621 4.517 0 20 KJAD O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 514393024 KZNYRKVDRKHCCB-UYAOXDASSA-N 526.688 4.572 0 20 KJAD C[C@@]1(c2ccc(CNCc3cn(Cc4ccccc4Cl)nc3-c3ccccc3)cc2)NC(=O)NC1=O 521831888 VPUAXACKJREWDY-NDEPHWFRSA-N 500.002 4.596 0 20 KJAD O=C1CC[C@]2(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)Sc3ccc(Cl)cc3N12 503502115 FPRAKIKIHGWOAD-HSZRJFAPSA-N 500.001 4.708 0 20 KJAD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 514294159 ZFYVIRVDUXANQD-QHCPKHFHSA-N 547.660 4.979 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)c1 514402469 JRLOGULNPATRML-UHFFFAOYSA-N 582.148 4.596 0 20 KJAD CC[C@H](c1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1CCN1CCOCC1)N(C)C 514291607 GXQTYWIRJVCPDI-BUUDZMLXSA-N 600.189 4.728 0 20 KJAD Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(Cl)o1)CC2 1817400538 SKDYGMARRDIMIC-LBPRGKRZSA-N 500.005 4.756 0 20 KJAD CCCOc1ccc(CN(CCC)C(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)cc1OCC 514377082 KZAXYLLWHZYGNA-UHFFFAOYSA-N 638.805 4.657 0 20 KJAD C[N+](C)=c1ccn(/C(C(=S)NCc2cccc(C(F)(F)F)c2)=C(/O)c2ccc3c(c2)COC3)cc1 726570291 KQCLBQZPBSLSMD-UHFFFAOYSA-O 500.566 4.570 0 20 KJAD CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(-c3ccccn3)s2)c1 916506015 SKQKPPYEPBXUTC-UHFFFAOYSA-N 500.005 4.721 0 20 KJAD CCOC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 9803782 FPBGBTSLAKLLDT-UHFFFAOYSA-N 500.005 4.952 0 20 KJAD COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 514300793 QNXZTZSSBBWAKA-JOCHJYFZSA-N 501.421 4.682 0 20 KJAD COCCCn1c(S[C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1 514395038 BASVZIZUGYQYFG-GOSISDBHSA-N 542.658 4.683 0 20 KJAD Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O 15151167 UUXPVUHOWQPCSC-ZEQRLZLVSA-N 510.498 4.590 0 20 KJAD biogenic CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C[C@H]3CCCO3)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)CC1 514384328 OFPWPRBJDFTPOP-OAQYLSRUSA-N 623.584 4.796 0 20 KJAD O=C(CCSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)Nc1ccc(N2CCCC2=O)cc1 514403617 OEJROEPTARJRFA-NRFANRHFSA-N 530.654 4.853 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1 514404937 OODCHWKZRKEVCD-QHCPKHFHSA-N 616.785 4.625 0 20 KJAD Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O 18203085 UUXPVUHOWQPCSC-PSWAGMNNSA-N 510.498 4.590 0 20 KJAD biogenic CC[C@H](c1nnc(SCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)n1CCN1CCOCC1)N(C)C 514304703 WVBBZVZISOUJDC-HHHXNRCGSA-N 588.782 4.515 0 20 KJAD CCCn1c(CCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 514393989 DVEBHZNJOUUTEV-SFHVURJKSA-N 518.630 4.661 0 20 KJAD O=C(Nc1cccc(S(=O)(=O)NC(=O)c2cccn2Cc2cccs2)c1)c1ccc(Cl)cc1 727958624 WHDHFSHTZGVPON-UHFFFAOYSA-N 500.001 4.622 0 20 KJAD O=C(NC1CC1)c1ccc(CN(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)C2CC2)cc1 514402019 JKNFFHDKYJQWCB-UHFFFAOYSA-N 522.696 4.592 0 20 KJAD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnoc1C1CC1)CC2)c1cc2c(Cl)cncc2s1 1815842990 OBIUJLMMYYEUGS-NSHDSACASA-N 500.005 4.811 0 20 KJAD C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc(Br)cc1 514375413 PSVHRUNQHLTVJI-WMLDXEAASA-N 507.479 4.918 0 20 KJAD COC(=O)c1ccccc1NC(=O)CSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C 612646016 AVOQABJYZWNBEW-UHFFFAOYSA-N 500.001 4.833 0 20 KJAD Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)cc2)nc(C)n1 500176162 HCJKSQIMTBMRBK-UHFFFAOYSA-N 500.005 4.923 0 20 KJAD O=C(CCN1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1)Nc1c(Cl)cccc1Cl 514391348 HQRKSKGCRMVAAQ-UHFFFAOYSA-N 520.486 4.729 0 20 KJAD CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 514395449 KYUVJRNYJKPAKE-INIZCTEOSA-N 509.072 4.764 0 20 KJAD COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1 514386642 WJIJKBGVPDAYOM-JKSUJKDBSA-N 504.056 4.530 0 20 KJAD CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC 514374142 JRGZPRZPGJKWFA-HXUWFJFHSA-N 559.758 4.785 0 20 KJAD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc4c(C(F)(F)F)cccc4s3)c12 514383280 FYQGDKUPGSHRKH-ZDUSSCGKSA-N 535.573 4.858 0 20 KJAD COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Br)cc1Br 70135761 TUPIQIDMVVWHST-UHFFFAOYSA-N 500.006 4.784 0 20 KJAD CC(C)(C)C(=O)OC[C@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 116658319 PLXCBOJERHYNCS-YMQHIKHWSA-N 600.746 4.764 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2[C@@H](C)COC)c1 514293813 TVBWWSKMTYECCS-FQEVSTJZSA-N 545.731 4.531 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](CC)N(C)C)n2-c2ccc(OC)cc2)sc(C(C)=O)c1C 514294406 YYTIHOGYAFQLCM-IBGZPJMESA-N 559.714 4.769 0 20 KJAD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)C2)s1 514393932 BSNKEGKAKUJSBV-QGZVFWFLSA-N 523.080 4.598 0 20 KJAD COCCCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1-c1ccc(OC)c(OC)c1 514391654 OQMORRLENQOQRW-HSZRJFAPSA-N 514.648 4.763 0 20 KJAD CCOc1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1S(=O)(=O)N1CCCCC1 514300480 WEMJGZOUWBAXQA-UHFFFAOYSA-N 527.643 4.625 0 20 KJAD CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nnc(S[C@H](C)C(=O)c3ccc(CCNC(C)=O)cc3)s2)cc1 514389781 MJMCBEHGZSSJDI-QZTJIDSGSA-N 584.789 4.622 0 20 KJAD COCCCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)nnc1-c1ccc(OC)c(OC)c1 514395602 OHAAIYXJIFFDSM-VWLOTQADSA-N 510.660 4.667 0 20 KJAD COc1ccc(NC(=S)/C(=C(/O)c2ccc(NC(C)=O)c(SC)c2)[n+]2cccc(O)c2)cc1F 726573913 IFFRDRFFGMPWAU-UHFFFAOYSA-O 500.597 4.831 0 20 KJAD CCCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1OCCC 514300989 UTFOEDBZMLJYFO-HXUWFJFHSA-N 526.659 4.807 0 20 KJAD Cc1c(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(=O)n(-c2ccccc2)n1C 514380104 FIBUXYJNUQNUQB-SELNLUPBSA-N 506.672 4.770 0 20 KJAD CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)cc1 514389117 ZKCWVDIGHDOCPU-QGZVFWFLSA-N 500.621 4.517 0 20 KJAD CC(C)(C)OC(=O)[C@]1(Cn2cccn2)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)OCc1ccccc1 12506692 GNTAWJCNJONINB-JDRJUVJTSA-N 511.600 4.510 0 20 KJAD COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)c1 514292984 OFCIAZOMUVMPHA-MRXNPFEDSA-N 502.040 4.653 0 20 KJAD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 514374743 GHHHKIACTSBFFQ-LJQANCHMSA-N 577.176 4.757 0 20 KJAD O=C(CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)Nc1ccccc1Cl 514392606 ZBANOXXAGKTJSS-UHFFFAOYSA-N 576.144 4.855 0 20 KJAD CC[C@@H](c1nnc(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)n1CCN1CCOCC1)N(C)C 514375803 VZRPPVAMIGVWDH-DEOSSOPVSA-N 603.587 4.909 0 20 KJAD O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 514394755 RONFXKLPVXPXJL-NRFANRHFSA-N 581.638 4.676 0 20 KJAD O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)CC1 514404014 WANRUCHKULZZJZ-QFIPXVFZSA-N 544.681 4.575 0 20 KJAD COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC2)c(C(=O)OC)c1C 514299327 LMALFYFYRSJODM-UHFFFAOYSA-N 594.727 4.531 0 20 KJAD Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 514376307 HFFLRYRWUUQKHA-UHFFFAOYSA-N 541.739 4.675 0 20 KJAD CC[C@@H](c1nnc(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)n1CCN1CCOCC1)N(C)C 514294346 WVAKTCQAZVANGA-DEOSSOPVSA-N 532.714 4.746 0 20 KJAD Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 514299616 HMRKEIFFLOTHKY-UHFFFAOYSA-N 579.073 4.663 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2C2CCCCC2)c1 514389376 FJGKGBJVZKPPTP-UHFFFAOYSA-N 538.630 4.573 0 20 KJAD CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)nnc1[C@@H](CC)N(C)C 514376025 ZPXLVZQGSJCROC-JOCHJYFZSA-N 547.795 4.927 0 20 KJAD CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3F)c(F)c2)ccn1 214499336 FVLPWAWFQLLRPG-UHFFFAOYSA-N 548.506 4.703 0 20 KJAD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 514297106 XDNWUIALAUUXAT-UHFFFAOYSA-N 545.683 4.582 0 20 KJAD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)c12 514388509 VPBDFUASUMJGJE-KRWDZBQOSA-N 559.479 4.781 0 20 KJAD CCCCn1c(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nc2sc(C)c(C)c2c1=O 514374415 BNPGSYBJLQDUOP-SFHVURJKSA-N 500.690 4.727 0 20 KJAD CCCCn1c(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)nnc1[C@H](CC)N(C)C 514374719 FTPXIFOGVCKOKN-UWJYYQICSA-N 559.202 4.894 0 20 KJAD CSCC[C@@H](NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3)c1nnc2ccccn12 514299749 QJVNQEBREXOFMG-MRXNPFEDSA-N 528.729 4.552 0 20 KJAD CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)c1C 514375862 XTDCCFAPOYOWGV-KRWDZBQOSA-N 507.616 4.702 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)c1 514401801 FBQQXWNMOCCDOU-UHFFFAOYSA-N 515.676 4.651 0 20 KJAD CCCCN(C(=O)CSc1nnc(SCc2ccc(C(C)C)cc2)s1)[C@H]1CCS(=O)(=O)C1 514290994 CIZGQIFPMLNLRM-IBGZPJMESA-N 513.776 4.862 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C)[C@@H]1CCS(=O)(=O)C1 514293089 RONSPSMDZWPDIP-MRXNPFEDSA-N 519.520 4.741 0 20 KJAD CC[C@@H](c1nnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1CCN1CCOCC1)N(C)C 514374496 CSRVQBNGOZOSRR-QHCPKHFHSA-N 516.756 4.601 0 20 KJAD CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 514389577 KDTWPZYHTOUSIO-LJQANCHMSA-N 518.985 4.828 0 20 KJAD CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514402755 MGPYMYARLNGERG-QGZVFWFLSA-N 534.107 4.831 0 20 KJAD CCCCCN(C(=O)CCC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C)c1c(O)nc(=O)n(CCCC)c1N 514405633 ZJQVMXVIUZFRBX-UHFFFAOYSA-N 592.745 4.567 0 20 KJAD O=C1CCCN1Cc1nnc(SCC(=O)N(Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)o1 514374705 FPEVCPRZLBZAFX-UHFFFAOYSA-N 515.079 4.935 0 20 KJAD CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2csc(-c3ncccn3)n2)ccc1Cl 614497084 AXNYJCDYEUHJGF-UHFFFAOYSA-N 500.005 4.721 0 20 KJAD Cc1nscc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)sc2C1 1816014810 FWVVNTAOPPAKEY-AWEZNQCLSA-N 500.005 4.756 0 20 KJAD Cc1nc(-c2cccc(NC(=O)COC(=O)CNC(=O)c3sc4ccccc4c3Cl)c2)cs1 23220176 BNIIDKLNFWAFAV-UHFFFAOYSA-N 500.001 4.898 0 20 KJAD COc1ccc(C(O[C@@H]2CO[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 253496103 DUUUIECLFYEGNZ-BBLOSTOYSA-N 619.674 4.780 0 20 KJAD Cc1c(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)n(-c2ccccc2)n1C 514380103 FIBUXYJNUQNUQB-DNVFCKCGSA-N 506.672 4.770 0 20 KJAD Cc1ccc(NC(=O)c2sc(-c3ncccn3)nc2C)cc1S(=O)(=O)Nc1ccccc1Cl 615242288 HCNBPWPCSNHHQL-UHFFFAOYSA-N 500.005 4.923 0 20 KJAD Cc1nc2ccccc2n1CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 69894190 PSAKJLZAIIHRDQ-RUZDIDTESA-N 500.002 4.637 0 20 KJAD Cc1ccccc1[C@@H](OC[C@H](O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 514382818 AEXAVIQCLNJLOY-GIGWZHCTSA-N 541.614 4.737 0 20 KJAD C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 514395748 SCFDHHXQLNSEIR-ICSRJNTNSA-N 512.079 4.717 0 20 KJAD CC[C@H]1CCCCN1CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 514297300 PGTUFICYVGJIQU-NRFANRHFSA-N 560.120 4.532 0 20 KJAD Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)s2)c(=O)n(-c2ccccc2)n1C 514300946 UKGWSMOSNUMCMW-LTBRCXMGSA-N 651.859 4.751 0 20 KJAD COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 514300794 QNXZTZSSBBWAKA-QFIPXVFZSA-N 501.421 4.682 0 20 KJAD C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 514299204 CQCQEOYBHHCHRN-KRWDZBQOSA-N 531.729 4.559 0 20 KJAD CC[C@@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514374767 GTMUJOOUZNWAPC-GOSISDBHSA-N 561.730 4.695 0 20 KJAD O=C([C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 514377207 NDBZOEJAFSJUKQ-CPJSRVTESA-N 512.994 4.611 0 20 KJAD COc1ccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2cccc(CO)c2)cn1 730440477 PWLOAZFHBIMGIP-UHFFFAOYSA-O 500.600 4.772 0 20 KJAD C[C@H](NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)c1cccs1 514292636 OHFZMIBKHUFZHL-INIZCTEOSA-N 507.632 4.886 0 20 KJAD Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c2c1OC(C)(C)C2 504610416 OCIHRKILVJXVGL-QHCPKHFHSA-N 634.799 4.808 0 20 KJAD CC(C)n1c(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccc(Cl)cc1Cl 514374440 BUQKANHQDAAZPH-HNNXBMFYSA-N 522.458 4.891 0 20 KJAD CC[C@@H](c1nnc(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)n1CCN1CCOCC1)N(C)C 514374662 DRDCCJNKMBOBPY-NQIIRXRSSA-N 553.758 4.854 0 20 KJAD OCc1ccc[n+](/C(C(=S)NC2CCN(Cc3ccccc3)CC2)=C(/O)c2cc3ccccc3o2)c1 920396414 KJJDMMBAEVWTTF-UHFFFAOYSA-O 500.644 4.678 0 20 KJAD COc1ccc(CN(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)[C@H](C)Cc2cccs2)cc1 514402637 DDZMMAGRTTWXES-OAQYLSRUSA-N 567.737 4.578 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 514381665 NFRJLKCVAPQSDE-QFIPXVFZSA-N 509.697 4.592 0 20 KJAD CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)sc2c1CCSC2 514382321 JGWJLWVNJXTIGN-UHFFFAOYSA-N 562.657 4.772 0 20 KJAD O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC(n2c(O)nc3ccccc32)CC1 514401947 CMTVMBIFLJQLEE-UHFFFAOYSA-N 507.944 4.889 0 20 KJAD CCc1c(C)sc2nc(SCc3nc(=O)c4c(C)c(C(C)=O)sc4[nH]3)n(C[C@H]3CCCO3)c(=O)c12 514374888 HEMMUAISMIGLAT-CQSZACIVSA-N 530.697 4.609 0 20 KJAD COc1ccc(C(O[C@@H]2CO[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 100167014 DUUUIECLFYEGNZ-LIAFXSCVSA-N 619.674 4.780 0 20 KJAD COc1ccc(C[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c2ccc(OC)cc2)cc1 514299031 CKZFRVZTQDFQOV-WNCULLNHSA-N 574.703 4.708 0 20 KJAD Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c12 514382907 BSXCKWDMNHQLAU-MRXNPFEDSA-N 507.443 4.556 0 20 KJAD COc1ccc(C(=O)N2CCC(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)c2ccccc12 514387046 AHVNTZYVEBNLJK-NDEPHWFRSA-N 502.611 4.985 0 20 KJAD COC(=O)c1sccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 10558377 NYXMVOIJOXNSBF-UHFFFAOYSA-N 500.005 4.870 0 20 KJAD COc1cc(-c2nnc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)o2)cc(OC)c1OC 108995615 DQMYNJWKXMONBI-OAHLLOKOSA-N 515.617 4.554 0 20 KJAD O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)Nc1ccccc1N1CCCC1=O 514390828 CYKIPNKFOJNPGG-UHFFFAOYSA-N 556.639 4.712 0 20 KJAD CC(C)n1ncc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)cnc21 514390159 ZTFBRKWSPUUEGZ-UHFFFAOYSA-N 529.972 4.724 0 20 KJAD CCCN(C(=O)CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514404881 MFOYCFICQRABOH-UHFFFAOYSA-N 632.791 4.832 0 20 KJAD O=C(CSc1nnc(N2CCOCC2)n1C1CC1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 514393824 LWFXWZRKIPUHOB-UHFFFAOYSA-N 511.460 4.611 0 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DOMBYGSKZIYUED-GOSISDBHSA-N 503.448 4.887 0 20 KJAD CCCCn1c(CCC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514385839 WLMGCOMKOGQUTF-HHHXNRCGSA-N 568.740 4.552 0 20 KJAD C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(Br)cc1 514293577 SQVWJOICPARJCL-AWEZNQCLSA-N 519.383 4.746 0 20 KJAD O=S(=O)(c1cccc(-c2nnc(SCc3nc(O)c4c5c(sc4n3)CCC5)n2C2CCCC2)c1)N1CCOCC1 514375675 VCGNKFFPZRLFBT-UHFFFAOYSA-N 598.776 4.572 0 20 KJAD CCCCc1ccc(-c2cc(NC(=O)CSc3nnc(CCC(N)=O)n3C[C@@H]3CCCO3)n(-c3ccccc3)n2)cc1 514402501 AOHYLHUOFDATJL-VWLOTQADSA-N 587.750 4.801 0 20 KJAD C[C@H]1C[C@@H](C)CN(c2nnc(SCC(=O)N(Cc3ccco3)CC(F)(F)F)n2Cc2ccco2)C1 514394868 VHNJEVLKXUWFKK-CALCHBBNSA-N 511.570 4.678 0 20 KJAD COCCCn1c(=O)c2ccccc2n2c(S[C@H](C)c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)nnc12 514291982 KVJXQAPPEHCHKZ-HUUCEWRRSA-N 536.683 4.769 0 20 KJAD CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 514379550 CYBBXXHWCOJHFS-SFHVURJKSA-N 579.870 4.717 0 20 KJAD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 514393129 ORISMFUIMYWRLO-UHFFFAOYSA-N 567.630 4.770 0 20 KJAD Cc1nc(-c2ccccn2)sc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(Cl)o3)sc2C1 1817919768 OHKVUAPJZNTSAN-LBPRGKRZSA-N 500.005 4.756 0 20 KJAD C[C@H](c1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1-c1ccc(F)cc1)N(C)C 514301061 XNCARGLXIGQQSF-GCJKJVERSA-N 525.650 4.646 0 20 KJAD CC[C@H](c1nnc(SCc2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)n1CCN1CCOCC1)N(C)C 514375030 KCOVYMCRRRCAHA-OAQYLSRUSA-N 567.785 4.909 0 20 KJAD CCCn1c(CCC(=O)N(CC)Cc2ccc(OCc3cccs3)c(OC)c2)nc2cc(S(N)(=O)=O)ccc21 514390724 UIUCQEBECWIZJS-UHFFFAOYSA-N 570.737 4.724 0 20 KJAD CCCCN(C(=O)CSc1nnc(COc2ccccc2-c2ccccc2)n1CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 514375504 QJSIIGNAMINDNU-UHFFFAOYSA-N 635.791 4.596 0 20 KJAD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 514377218 NQXGEMUJLNIHTM-INIZCTEOSA-N 552.744 4.703 0 20 KJAD Cc1c(C)c(S(=O)(=O)N(C)C(=N)NCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c2c1OC(C)(C)C2 575629039 MZIOWVCUXXEMLE-NDEPHWFRSA-N 648.782 4.852 0 20 KJAD COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C4CC4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 514300145 UEBHFOZLPXJLCT-AUSIDOKSSA-N 508.600 4.564 0 20 KJAD CC(C)C(=O)Nc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(CO)c2)cc1 27312416 HKLYTMGHJXYOPR-UHFFFAOYSA-O 501.003 4.904 0 20 KJAD C[C@@H]1CCCN(c2nnc(SCc3nnc(-c4ccc(Br)o4)o3)n2Cc2ccco2)C1 514394671 YSOCNORJYGVLFZ-CYBMUJFWSA-N 505.398 4.854 0 20 KJAD COc1ccc(Cc2nnc(Sc3nc(CN4CCOCC4)nc4sc5c(c34)CCCC5)o2)cc1 514300072 RTWXNGCDVHOULD-UHFFFAOYSA-N 509.657 4.536 0 20 KJAD Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1 514394535 YEVJZKSMIDJIMZ-NRFANRHFSA-N 544.077 4.779 0 20 KJAD CCCN(C(=O)[C@H](C)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 514396017 ZFIXRISMVLBDNO-ILWGZMRPSA-N 589.805 4.519 0 20 KJAD CC(C)[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 514404160 ALQTVVCHECVZPE-DCFHFQCYSA-N 547.681 4.982 0 20 KJAD CCOc1ccc(CN(CCCN(C)C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OCC 514377004 JTTAJDUFPAETBK-UHFFFAOYSA-N 510.679 4.708 0 20 KJAD CCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(O)nc1=O 514295697 JQNAKTXGEJMQDP-UHFFFAOYSA-N 559.033 4.694 0 20 KJAD COC(=O)[C@@H](c1ccccc1Cl)N1CCC(SCC(=O)c2cccc(OC)c2)=C(CC(=O)O)C1 77286033 BNGUEGYOTLVBPU-XMMPIXPASA-N 504.004 4.613 0 20 KJAD in-vitro C[C@H]1CCc2c(sc3nc([C@@H](C)N4CCN(CC(=O)Nc5ccccc5C(F)(F)F)CC4)nc(O)c23)C1 514299849 JRBIEFMXYGDETH-JKSUJKDBSA-N 533.620 4.858 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)sc(C(C)=O)c1C 514375155 LKDKDBZHDUQTMK-UHFFFAOYSA-N 555.726 4.792 0 20 KJAD CCCCn1c(CCC(=O)Nc2cc(OC)c(OC)cc2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514381362 BMXWAKHTFCNESA-UHFFFAOYSA-N 530.691 4.764 0 20 KJAD Cc1nc(-c2ccc(CCNC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)s2)cs1 514389589 KPESQTZZXSYETG-UHFFFAOYSA-N 543.658 4.958 0 20 KJAD Cc1occc1-c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)o1 514376958 VRWRVJWQCJHGKU-UHFFFAOYSA-N 511.025 4.587 0 20 KJAD CCOc1ccc(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)cc1S(=O)(=O)N(CC)CC 514377571 AHAUUFQFMKRYPI-UHFFFAOYSA-N 564.755 4.577 0 20 KJAD CCCn1c(CS[C@H](C)C(=O)Nc2c(CC)cccc2CC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514395844 VJPNOIYAAVYDCG-HXUWFJFHSA-N 558.770 4.852 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](c3ccccc3)C3CC3)n2[C@@H](C)COC)c1 514394877 VMURCQHGBXXOMZ-FNZWTVRRSA-N 571.769 4.543 0 20 KJAD C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(Br)cc1 514293580 SQVWJOICPARJCL-CQSZACIVSA-N 519.383 4.746 0 20 KJAD O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 514394998 ZYUXXXDHWLIAJO-OAQYLSRUSA-N 581.638 4.676 0 20 KJAD CCCN(C(=O)[C@H](C)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 514396016 ZFIXRISMVLBDNO-BVSLBCMMSA-N 589.805 4.519 0 20 KJAD O=C1CC[C@]2(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)Sc3ccccc3N12 516832944 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Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 514291189 ANKQWKMYPGPTLI-HXUWFJFHSA-N 576.492 4.523 0 20 KJAD CN(c1ccc(OC(=O)Cc2csc(-c3ccccn3)n2)cc1)S(=O)(=O)c1ccc(Cl)cc1 17344820 ZKYIHXQAKHXGFR-UHFFFAOYSA-N 500.001 4.832 0 20 KJAD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1 514303776 ZECSLRVUCQDSFR-UHFFFAOYSA-N 524.687 4.534 0 20 KJAD O=S(=O)(c1cccc(-c2nnc(SC[C@H](O)COCc3cccs3)n2C2CCCCCC2)c1)N1CCOCC1 514376277 FWAXLFDZHKEEDY-HSZRJFAPSA-N 592.809 4.593 0 20 KJAD CC1CCN(S(=O)(=O)c2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)cc2)CC1 514301850 DXZBHXBDRODGLR-UHFFFAOYSA-N 515.035 4.615 0 20 KJAD C[C@H](OC[C@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc(Cl)cc1 514379338 QRMMKUIDBIFCCC-UWJYYQICSA-N 538.091 4.795 0 20 KJAD O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 514382674 ACBPEBGQBMGPOT-SFHVURJKSA-N 569.536 4.944 0 20 KJAD CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)sc1C 514405095 OTKPAOAWLWUOSA-UHFFFAOYSA-N 583.732 4.507 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@H](C)CC)sc(C(=O)N(C)C)c1C 514291435 FEABKPCFMQSOEI-GOSISDBHSA-N 664.876 4.926 0 20 KJAD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 514292497 LXLMGYNQBGHOOV-UHFFFAOYSA-N 571.021 4.847 0 20 KJAD O=C(Nc1ccccc1OC(F)F)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 514292619 NBQHIPGPWKVRHA-UHFFFAOYSA-N 512.884 5.000 0 20 KJAD Cc1c(NC(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c(=O)n(-c2ccccc2)n1C 514375459 QTFLBDJWQMYWCN-FQEVSTJZSA-N 597.692 4.772 0 20 KJAD COc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)ccc1OCc1ccc(Br)s1 514405121 PRMRUIKROGNQRV-UHFFFAOYSA-N 507.450 4.573 0 20 KJAD CCOc1cc(NC(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)c(OCC)cc1NC(=O)c1ccccc1 514295637 LUPKNZZBCUTQOC-UHFFFAOYSA-N 687.793 4.719 0 20 KJAD C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 514395461 LBFORMMBXFOFPD-PKOBYXMFSA-N 519.627 4.886 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 514381664 NFRJLKCVAPQSDE-JOCHJYFZSA-N 509.697 4.592 0 20 KJAD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)CC2 1817599397 CYCONDHNXLDTTB-CQSZACIVSA-N 500.005 4.756 0 20 KJAD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1)c1cnc(Cl)s1 1819911363 MVSDMWXDRYIBFR-OAHLLOKOSA-N 500.009 4.658 0 20 KJAD CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2CCCOC)c1 514395442 KNGHGDRKFPBTRE-KRWDZBQOSA-N 531.078 4.688 0 20 KJAD Cc1c(C)c(C(=O)O)c(C)c(C)c1B(c1c(C)c(C)c(C(=O)O)c(C)c1C)c1c(C)c(C)c(C(=O)O)c(C)c1C 207064701 QSWRTJBKFZTNFU-UHFFFAOYSA-N 542.481 4.998 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3Cl)n2[C@@H](C)COC)c1 514292467 LDFVPFHLOLCRKI-INIZCTEOSA-N 570.112 4.706 0 20 KJAD CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1OCC(=O)N1CCCCC1 514377048 KJNZODDNJSOAMA-UHFFFAOYSA-N 535.563 4.584 0 20 KJAD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 514379181 OMJVXSPYBDFKRA-QGZVFWFLSA-N 564.755 4.847 0 20 KJAD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1)c1cc(C2CC2)on1 1815842518 OJRNTCHCTVEWMC-LLVKDONJSA-N 500.005 4.811 0 20 KJAD COCCCN(C(=O)CSc1nnc(-c2ccco2)n1[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514293138 SICUZZQHDVYCLD-TWDDROGUSA-N 633.775 4.590 0 20 KJAD CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)[C@H]1c1ccccc1OC 514404290 BADKHANVMKYPQD-CJFMBICVSA-N 524.643 4.766 0 20 KJAD Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nnc(COc2ccccc2)n1CCC(C)C 514376054 ATMZOEGROXKLAS-OAQYLSRUSA-N 509.676 4.756 0 20 KJAD O=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 514405178 SFEQJQPHFXMCNE-IBGZPJMESA-N 558.502 4.588 0 20 KJAD COCCN(C(=O)CCCC(=O)N(CCOC)c1nc2ccccc2s1)c1nc2ccccc2s1 514303814 ZWAOVVDOEANSBC-UHFFFAOYSA-N 512.657 4.735 0 20 KJAD CCCCN1C(=O)C[C@H](C(=O)Nc2nnc(S[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)[C@@H]1c1ccc(OC)cc1 514383649 HZIXPCRVWMSDFC-MHLNXUHPSA-N 663.826 4.792 0 20 KJAD C[C@@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 514387055 AONXXJQDNQXVNB-UKRRQHHQSA-N 537.589 4.670 0 20 KJAD CCCCn1c(CCC(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 514380917 RECLFJNRZONFHA-UHFFFAOYSA-N 578.682 4.822 0 20 KJAD O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 514384526 VEWWVVRMSGWPSU-SFHVURJKSA-N 505.662 4.548 0 20 KJAD O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1nc2c(s1)C(=O)CCC2 589912344 HCEUKKOMYWYMNM-UHFFFAOYSA-N 500.005 4.946 0 20 KJAD CCOc1cc(C(=O)N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)ccc1OCC(=O)N1CCCCC1 514402223 LXZFBNXZWRUDMW-UHFFFAOYSA-N 517.626 4.896 0 20 KJAD CCc1ccc(OCc2nnc(SCC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)n2CC(C)C)cc1 514394840 ULNGBSZORDSKQE-UHFFFAOYSA-N 535.714 4.720 0 20 KJAD CN(Cc1ccc(Cl)s1)C(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514298802 GKFABANYOAXTSP-UHFFFAOYSA-N 570.756 4.986 0 20 KJAD COc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4O)cc3)c2cc1OC 2048532452 RUXWVXHGAZKNSA-UHFFFAOYSA-N 517.513 4.819 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2C2CCCCC2)c1 514300614 PPBBQECBYFJQLP-UHFFFAOYSA-N 635.212 4.809 0 20 KJAD Cc1sc2nc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3C3CCCC3)nc(O)c2c1C 514374688 FTBHJLPKNXCNTN-UHFFFAOYSA-N 586.765 4.701 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)oc(C)c1C(C)=O 514383204 ILPAAGOPAAGUEV-KRWDZBQOSA-N 539.658 4.826 0 20 KJAD O=C1CC[C@@]2(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)Sc3ccccc3N12 516832945 ZSGBKQMFHVAXJK-QHCPKHFHSA-N 500.001 4.708 0 20 KJAD O=C(CCSc1nnc(CN2CCCCC2)n1-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 514393509 DBQZTTIDGKGMPW-UHFFFAOYSA-N 504.660 4.501 0 20 KJAD CCCCN(C(=O)CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1)c1c(O)nc(=O)n(CCC)c1N 514384312 NWOWYSBMKNUCBI-UHFFFAOYSA-N 598.774 4.584 0 20 KJAD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3CN(C)C3CCCCC3)CC2)cc1 514402048 KSCBMGQIELJYPA-UHFFFAOYSA-N 511.688 4.693 0 20 KJAD CCCCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1c(O)nc(=O)n(CCCC)c1N 514384809 XVPKDFPZYPIIJG-UHFFFAOYSA-N 564.716 4.721 0 20 KJAD CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(O)nc1=O 514403601 VPYLICCEVPQYHG-UHFFFAOYSA-N 521.622 4.610 0 20 KJAD O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 509567923 HHMZJRZNITVZTG-UHFFFAOYSA-N 500.001 4.665 0 20 KJAD CCOc1ccc(NC(=O)CSc2nnc([C@H](CC)N(C)C)n2-c2ccc(OC)cc2)cc1OCC 514402919 HHMBXCNSULTEMZ-NRFANRHFSA-N 513.664 4.817 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)n2CC(C)C)cc1 514291501 GVHPZPNCGZZDSX-UHFFFAOYSA-N 535.592 4.818 0 20 KJAD Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(=O)n(-c2ccccc2)n1C 514293596 STRZVGYCMGLXJD-LJQANCHMSA-N 549.722 4.561 0 20 KJAD CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(O)nc1=O 514296692 UBVMDGYTJOUQDB-UHFFFAOYSA-N 609.049 4.857 0 20 KJAD Cc1cc(C)cc(N(CCC(=O)N2CCC(C(=O)N3CCCCC3)CC2)S(=O)(=O)c2ccc(Br)cc2)c1 514380118 FRKPIZLOHLCYPY-UHFFFAOYSA-N 590.584 4.902 0 20 KJAD COC(=O)C1CCN(C(=O)[C@H](Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)C(C)C)CC1 514404912 NFAFRJTWKFHMSL-XMMPIXPASA-N 521.687 4.981 0 20 KJAD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)CC1 514294855 CASBLXWQZIGXSW-JOCHJYFZSA-N 648.601 4.972 0 20 KJAD CC[C@@H](C)n1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514375109 KYYKPRRGHJSRPZ-AUSIDOKSSA-N 621.851 4.700 0 20 KJAD CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 514388936 VQJDWNIDSUVBGN-VQIMIIECSA-N 553.537 4.816 0 20 KJAD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1 514381041 ZLKSMMWUDRKQKE-PXNSSMCTSA-N 555.619 4.672 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 514383135 ZFANCUJUJLRMNG-QGZVFWFLSA-N 538.066 4.702 0 20 KJAD CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nnc(SCc3ccc(C(C)C)cc3)s2)c(O)nc1=O 514395386 JERDPTZNKRSJHV-KRWDZBQOSA-N 592.813 4.759 0 20 KJAD Cc1nc(-c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)s2)cs1 514404804 NGNDJINSZUTSOI-UHFFFAOYSA-N 529.631 4.916 0 20 KJAD COCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)nnc12 514291976 KVJXQAPPEHCHKZ-CABCVRRESA-N 536.683 4.769 0 20 KJAD Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)c12 514388513 VPBDFUASUMJGJE-QGZVFWFLSA-N 559.479 4.781 0 20 KJAD O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 514394756 RONFXKLPVXPXJL-OAQYLSRUSA-N 581.638 4.676 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 514395780 STMHOZCYHKCZHH-OAHLLOKOSA-N 513.586 4.767 0 20 KJAD O=[N+](CCCCCCOCCOCc1c(Cl)cccc1Cl)C[C@H](O)c1ccc(O)c(CO)c1 2048532048 YOCYSPJSRLYVHF-DEOSSOPVSA-O 501.427 4.797 0 20 KJAD CCn1c(SCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514382808 ABQORJJVQKNXJC-UHFFFAOYSA-N 592.650 4.702 0 20 KJAD CC(C)[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1ccc2c(c1)OCCO2 514404162 ALQTVVCHECVZPE-NFQMXDRXSA-N 547.681 4.982 0 20 KJAD O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1cccc(OCc2cscn2)c1 17263151 VRBNYXZDLVOULZ-JMIUGGIZSA-N 500.001 4.842 0 20 KJAD CCCCCN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1c(O)nc(=O)n(CCCC)c1N 514290951 BSTIOQOVJBAIQY-UHFFFAOYSA-N 565.700 4.547 0 20 KJAD CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 514295092 AIWLTXJTXPEIMD-UHFFFAOYSA-N 611.790 4.561 0 20 KJAD COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)c1 514300823 RKJGOBNRWMFRSC-OAQYLSRUSA-N 616.372 4.993 0 20 KJAD Cc1c(NC(=O)CSc2ccccc2C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 514377902 OAMWVJGAWSRRCF-UHFFFAOYSA-N 530.694 4.914 0 20 KJAD COCCCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccc(OC)c(OC)c1 514402801 DVOULHCRFPGAMB-DEOSSOPVSA-N 526.659 4.957 0 20 KJAD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)c12 514404105 YYWCSDJJNXOJOJ-SFHVURJKSA-N 559.479 4.781 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 514298616 CNKWGKHSPKLSCL-UHFFFAOYSA-N 555.100 4.861 0 20 KJAD CSc1cc(/C(O)=C(/C(=S)NC2CCOCC2)[n+]2ccc(C(C)(C)C)cc2)ccc1NC(C)=O 727815512 NGODXKFPFARDOV-UHFFFAOYSA-O 500.710 4.932 0 20 KJAD O=C(COc1ccccc1C(=O)N1CCCCC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 514377169 ZQVAZQPVFPDPOQ-UHFFFAOYSA-N 534.078 4.548 0 20 KJAD CCn1c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 514390745 BGWCXEJZCJBLDU-QGZVFWFLSA-N 524.712 4.572 0 20 KJAD CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 514293830 YVOLWIITOOKRHF-UHFFFAOYSA-N 583.780 4.610 0 20 KJAD CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514300335 OZEFUAQJSJDGJS-LJQANCHMSA-N 555.726 4.708 0 20 KJAD COc1ccc([C@H]2CCCCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1 514387025 CSMBWYDHWCTUBX-SQJMNOBHSA-N 522.671 4.743 0 20 KJAD Cc1cc(C(=O)[C@H](O)[C@@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)NCC(=O)NCC(F)(F)F 2332239881 HSCRXZZPSKLNOP-IEBWSBKVSA-N 559.290 4.600 0 20 KJAD CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c1 514291922 KDUSNEKUBFZFNG-UHFFFAOYSA-N 586.086 4.642 0 20 KJAD CC(C)(C)c1nnc2sc(SCC(=O)Nc3sc4c(c3C(=O)c3ccccc3)CCCC4)nn2c1=O 514293130 SAGJGBZDWVKZFY-UHFFFAOYSA-N 539.708 4.746 0 20 KJAD Cc1cc(-c2cc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)c3c(C)noc3n2)c(C)s1 514391569 LPSMCOPUUYNWSW-UHFFFAOYSA-N 517.655 4.890 0 20 KJAD Cc1sc2nc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)o3)nc(O)c2c1C 514404753 LNVOWKGXOBWNLL-UHFFFAOYSA-N 517.658 4.531 0 20 KJAD O=C(Nc1ccccc1N1CCCC1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514382059 DUGRXPWLGCZFOX-UHFFFAOYSA-N 571.335 4.851 0 20 KJAD COc1ccc(-c2nc(CSc3nc(C4CC4)nc4c3c(O)nc(=O)n4C3CC3)cs2)cc1OC 514394202 JALJTALRMJKDNZ-UHFFFAOYSA-N 509.613 4.537 0 20 KJAD CCN(C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 514404426 HAHYVWXICXRBLG-MPRNQXESSA-N 522.762 4.520 0 20 KJAD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)s2)[nH]n1)c1nc(-c2ccccc2)ns1 1817676323 HPAGGFJZEIENDE-CQSZACIVSA-N 500.009 4.658 0 20 KJAD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 514292249 JLLRXLSJQTVYAK-UHFFFAOYSA-N 512.035 4.847 0 20 KJAD O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 514300373 MSIIHNITCOVWSZ-UHFFFAOYSA-N 522.447 4.925 0 20 KJAD COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1 514387023 CSMBWYDHWCTUBX-OFVILXPXSA-N 522.671 4.743 0 20 KJAD COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nnc(N3CCCCC3)n1C1CC1)CC2 514393442 BBGKKHJXIVZODX-HHHXNRCGSA-N 533.698 4.887 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)sc(C(=O)NC)c1C 514404091 YIZFDBDGRZAKSE-UHFFFAOYSA-N 516.645 4.671 0 20 KJAD C=CC(=O)N1CC[C@@H](NC(=O)c2sc3nccc4c3c2nc(O)n4-c2ccc(Oc3ccccc3)cc2C)C1 2048534677 VXJXHNMYRAHBBO-GOSISDBHSA-N 539.617 4.958 0 20 KJAD COC(=O)c1sccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 11063745 OIFKUVBYGQTQTK-UHFFFAOYSA-N 500.001 4.677 0 20 KJAD COC(=O)c1cccc(NC(=O)CSc2nnc(CNc3cccc(OC)c3)n2C2CCCCC2)c1 514301343 ZMVKCFWRXXKVJG-UHFFFAOYSA-N 509.632 4.921 0 20 KJAD CCOc1cc(C(=O)Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)ccc1OCC(=O)N1CCCCC1 514385080 ZKZLJLMFNXONSQ-UHFFFAOYSA-N 550.681 4.531 0 20 KJAD CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 514394242 KKFYZGRWYKFCPO-QHAWAJNXSA-N 538.718 4.542 0 20 KJAD CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1 514389596 KRCCXHBGJQSNFY-JOCHJYFZSA-N 501.421 4.501 0 20 KJAD O=C(NCc1coc(-c2cccs2)n1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 10717350 YEXFXADTGYEAEW-UHFFFAOYSA-N 500.001 4.738 0 20 KJAD CN(Cc1ccccc1Br)C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 514291528 GYGOGMXGTADAFL-INIZCTEOSA-N 507.479 4.699 0 20 KJAD Cc1c(NC(=O)[C@H](C)SCC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C 514379525 CDTRVMQXRMFFPB-FQEVSTJZSA-N 508.688 4.501 0 20 KJAD CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1S(=O)(=O)N1CCCCC1 514385765 UERJYXXCXBOBOK-UHFFFAOYSA-N 567.089 4.606 0 20 KJAD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 514292758 MLRFZZWWWLKLTF-KRWDZBQOSA-N 501.414 4.933 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c1 514292938 PMYOXPHIBSGKGY-FQEVSTJZSA-N 591.203 4.725 0 20 KJAD CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514304437 UHTACZLURSGTHW-UHFFFAOYSA-N 546.281 4.650 0 20 KJAD CCCCCN(C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)c1c(O)nc(=O)n(CCCC)c1N 514302065 LTDPBPFKADYOOW-UHFFFAOYSA-N 538.645 4.764 0 20 KJAD O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 115600845 KEQLVIFRZVZQOA-RBUKOAKNSA-N 528.487 4.907 0 20 KJAD CCCCCN(C(=O)CCC(=O)Nc1cc(Cl)ccc1Cl)c1c(O)nc(=O)n(CCCC)c1N 514291757 HGLCCNNHSGQHFQ-UHFFFAOYSA-N 512.438 4.580 0 20 KJAD COc1ccc(-c2nc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@@H]3CCS(=O)(=O)C3)sc2C)cc1 514300109 SYBDQGPAQGCCDU-GOSISDBHSA-N 537.667 4.670 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(NC(=O)C(C)C)cc3)n2[C@@H](C)COC)c1 514300978 UFGWFMBFJWRAOG-FQEVSTJZSA-N 587.768 4.753 0 20 KJAD O[C@H](COc1ccc(Br)cc1)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 514387876 SLJXNWMAMGREBL-QUCCMNQESA-N 508.413 4.558 0 20 KJAD CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c1 514395468 LFTJUUNBPPBZLV-IBGZPJMESA-N 534.686 4.692 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO1 514292409 MNIJRGXAKUPTQP-HXUWFJFHSA-N 566.602 4.908 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)oc(C)c1C(C)=O 514383205 ILPAAGOPAAGUEV-QGZVFWFLSA-N 539.658 4.826 0 20 KJAD C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 514395750 SCFDHHXQLNSEIR-UYAOXDASSA-N 512.079 4.717 0 20 KJAD Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)c12 514404439 HLSLUGFNKFHEIW-QGZVFWFLSA-N 542.086 4.930 0 20 KJAD CCCCN1C(=O)C[C@H](C(=O)Nc2nnc(S[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)[C@H]1c1ccc(OC)cc1 514383645 HZIXPCRVWMSDFC-IUGBQFMMSA-N 663.826 4.792 0 20 KJAD COCCCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccc(OC)c(OC)c1 514395726 RICLMJXCRPEEHK-RTBURBONSA-N 510.660 4.847 0 20 KJAD CC(C)(C)OC(=O)[C@]1(Cn2cccn2)C[C@@H](C(=O)O)[C@@H](c2cccs2)N1C(=O)OCc1ccccc1 407986751 GNTAWJCNJONINB-BNIKKZEQSA-N 511.600 4.510 0 20 KJAD CC(=O)Nc1cccc(-n2nnnc2SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)c1 493996975 QPJKRQYZOPXAHU-UHFFFAOYSA-N 500.009 4.708 0 20 KJAD Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 514292517 NINLJSQUUFMKSM-FQEVSTJZSA-N 572.682 4.707 0 20 KJAD CCCn1c(CCC(=O)Nc2ccc(N3CCCC3)cc2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514294315 ZZQWQIJBTPNTSZ-UHFFFAOYSA-N 525.719 4.957 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 514297368 VNNAOSXWPWPRCM-INIZCTEOSA-N 547.043 4.878 0 20 KJAD CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514375534 RITXXLGRDFFCKT-UHFFFAOYSA-N 556.739 4.631 0 20 KJAD C[C@@H](c1nnc(SCC(=O)NCc2ccc(OC(F)F)cc2)n1-c1ccccc1)N1CCCCC1 514405359 TYODJRAHFQDSOI-SFHVURJKSA-N 501.603 4.824 0 20 KJAD CC(C)c1nc(N(C)S(=O)(=O)C[C@H](O)c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 504116098 MWYNOQUFUVPRSK-HVGWLCNISA-N 832.949 4.621 0 20 KJAD in-vitro CC(C)c1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c2cnn(C(C)C)c2n1 514300895 RZWNVALYZNSHNJ-UHFFFAOYSA-N 516.568 4.551 0 20 KJAD COc1cc(-c2nnc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)n2C2CCCCC2)cc(OC)c1OC 514301396 ZKPZMHYAYGXJEA-QFIPXVFZSA-N 592.784 4.527 0 20 KJAD O=S(=O)(c1cccc(-c2nnc(SCc3nc(O)c4ccc(Cl)cc4n3)n2C2CCCC2)c1)N1CCOCC1 514381983 CLONSLUVFKURNP-UHFFFAOYSA-N 587.127 4.676 0 20 KJAD Cc1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)s2)c(=O)n(-c2ccccc2)n1C 514383673 IKWYHKXAQCODBX-OAQYLSRUSA-N 683.882 4.618 0 20 KJAD CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 514388935 VQJDWNIDSUVBGN-QFBILLFUSA-N 553.537 4.816 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2[C@@H](C)COC)c1 514294348 WVDBIWHMFGZJCL-KRWDZBQOSA-N 552.122 4.567 0 20 KJAD CC(C)CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 514390469 KYUGFJXMMYUNCU-UHFFFAOYSA-N 519.524 4.696 0 20 KJAD COc1cccc(NCc2nnc(SCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C2CCCCC2)c1 514391098 ZVHJQAZKTDOGCA-UHFFFAOYSA-N 587.768 4.596 0 20 KJAD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)c1 514395284 GWGJUCHHGIRKIY-WOJBJXKFSA-N 524.691 4.757 0 20 KJAD COc1cccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)N2CCCC2)c1 514404262 AHQXICJGCAYOGA-XMMPIXPASA-N 503.565 4.520 0 20 KJAD COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C4CC4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 514300150 UEBHFOZLPXJLCT-XXBNENTESA-N 508.600 4.564 0 20 KJAD O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1ncc(C(F)(F)F)cc1Cl 514375798 WZAAXDCBASDMLT-GFCCVEGCSA-N 503.959 4.984 0 20 KJAD CC(C)[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 514385252 FFTAARBSIMNDOH-NTKDMRAZSA-N 528.700 4.953 0 20 KJAD COc1ccc(C[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c2ccc(OC)cc2)cc1 514299032 CKZFRVZTQDFQOV-YIXXDRMTSA-N 574.703 4.708 0 20 KJAD CCCCN1C(=O)C[C@H](C(=O)Nc2nnc(S[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)[C@H]1c1ccc(OC)cc1 514383651 HZIXPCRVWMSDFC-WMVAVLGLSA-N 663.826 4.792 0 20 KJAD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)c1 514395283 GWGJUCHHGIRKIY-VQTJNVASSA-N 524.691 4.757 0 20 KJAD CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3nc4cc(Cl)ccc4c(=O)n3CCCOC)nc(=O)c2c1C 514375335 ONQPVVQGVABHMV-CYBMUJFWSA-N 549.074 4.723 0 20 KJAD C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 514375524 RMTYJWYHNTWEEL-IRLDBZIGSA-N 594.763 4.899 0 20 KJAD COc1cccc([C@H](CNC(=O)Nc2ccc(C)c(NC(=O)NC[C@@H](c3cccc(OC)c3)N(C)C)c2)N(C)C)c1 514382529 OLJHVQHVGIWHIL-VMPREFPWSA-N 562.715 4.861 0 20 KJAD C[C@H](Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1)c1ccccc1 514386648 WODRDUZAPMSNAE-LJQANCHMSA-N 514.673 4.711 0 20 KJAD COc1cc2nccc(Oc3ccc(NC(=O)[C@@H](CCO)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC 2048532364 GCYLVNWLTNOWGY-NRFANRHFSA-N 519.529 4.759 0 20 KJAD C[C@@H](OC(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](NC(=O)OC(C)(C)C)C(=O)O 137306536 YCWYIOBWFQMUSW-YWWLGCSWSA-N 584.666 4.618 0 20 KJAD CC[C@H](c1nnc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1CCN1CCOCC1)N(C)C 514291792 GXQTYWIRJVCPDI-ZPZUNKDASA-N 600.189 4.728 0 20 KJAD CCc1c(C)sc2nc(SC[C@H](O)COc3ccc(CCC(C)=O)cc3)n(C[C@H]3CCCO3)c(=O)c12 514387519 OIBOVRCSMFXYDI-IFMALSPDSA-N 530.712 4.561 0 20 KJAD O=C(CCSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 514392427 VXHAJEJWDWISCD-UHFFFAOYSA-N 546.118 4.763 0 20 KJAD Cc1ccc(NC(=O)c2sc3[nH]c(CSc4nnc(NC[C@@H]5CCCO5)s4)nc(=O)c3c2C)c(C)c1 514390083 XFPNVTNSDRBYID-HNNXBMFYSA-N 542.712 4.897 0 20 KJAD COc1cc(Br)c(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1OC 514390960 DJJONFAGQQJIRC-UHFFFAOYSA-N 503.466 4.994 0 20 KJAD COC(=O)c1coc(/C(O)=C(/C(=S)Nc2ccccc2-c2ccccc2)n2ccc(=[N+](C)C)cc2)c1 729670140 MVIBWPYQHHJQIJ-UHFFFAOYSA-O 500.600 4.890 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)sc(C(=O)N(C)C)c1C 514295999 DUTAJSJMMPCAEW-LJQANCHMSA-N 584.768 4.793 0 20 KJAD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 514379180 OMJVXSPYBDFKRA-KRWDZBQOSA-N 564.755 4.847 0 20 KJAD Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)c12 514382380 LWENCOHNIHDPAU-QGZVFWFLSA-N 558.686 4.512 0 20 KJAD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 514293152 QKFKXVKHOWIVJA-UHFFFAOYSA-N 574.552 4.516 0 20 KJAD CCOCCCn1c(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)nc2cc(Cl)ccc2c1=O 514381816 ULBWQDJJYPNPNM-UHFFFAOYSA-N 571.021 4.685 0 20 KJAD CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3nc4cc(Cl)ccc4s3)cc2)cc1 620179138 YWSMBPXXEKPRHM-UHFFFAOYSA-N 500.001 4.883 0 20 KJAD CCOC(=O)c1sc2[nH]c([C@H](C)Sc3nc4cc(Cl)ccc4c(=O)n3CCCOC)nc(=O)c2c1C 514375337 ONQPVVQGVABHMV-ZDUSSCGKSA-N 549.074 4.723 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)o2)c1 514392190 VKAIEFBOPIRNBF-JOCHJYFZSA-N 520.652 4.512 0 20 KJAD Cc1sc2nc([C@@H](C)Sc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)nc(O)c2c1C 514382730 BTGFKKANLWFFML-MRXNPFEDSA-N 514.652 4.597 0 20 KJAD O=C(Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccn(-c2cccc(Cl)c2)n1 615940661 KGMGVIVVTUHDCW-UHFFFAOYSA-N 500.002 4.669 0 20 KJAD COC(=O)c1sc(NC(=O)CCSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)c(C(=O)OC)c1C 514381596 KOQYYKAWQRBOKE-INIZCTEOSA-N 583.692 4.669 0 20 KJAD C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 514381991 YLPQXUQRRWIVHW-KRWDZBQOSA-N 565.668 4.590 0 20 KJAD CCCn1c(CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)nc2cc(S(=O)(=O)N(C)C)ccc21 514384147 MYKYVYUQLZBXOM-LJQANCHMSA-N 579.752 4.908 0 20 KJAD Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)o1 514393106 NQXAGVNGAZLIHA-LJQANCHMSA-N 507.620 4.753 0 20 KJAD CCCCN(C(=O)CSc1nnc(SCc2ccc(C(C)C)cc2)s1)[C@@H]1CCS(=O)(=O)C1 514290997 CIZGQIFPMLNLRM-LJQANCHMSA-N 513.776 4.862 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(Br)cc3)n2C[C@H]2CCCO2)cc1 514293465 VCNGEEUDEAUBPO-IIBYNOLFSA-N 531.476 4.865 0 20 KJAD O=C(O)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)cc(C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 137182033 GMWRYUDJCZXIDN-UHFFFAOYSA-N 567.510 4.538 0 20 KJAD CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 514378771 XBUUMHCZMQJORK-UHFFFAOYSA-N 517.051 4.524 0 20 KJAD O=C(NCCc1ccc(OC(F)F)cc1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514385150 ZVQAGYOKANRACG-UHFFFAOYSA-N 596.288 4.573 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 514293625 WKVZUJZAICNWMI-UHFFFAOYSA-N 559.998 4.766 0 20 KJAD CCN(CC)Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 514404279 ARZMKTADVPNOLA-UHFFFAOYSA-N 512.503 4.552 0 20 KJAD Nc1cc(-c2cc(C(=O)O)cc(C(=O)O)c2)ccc1-c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)cc1N 2048532683 FERRDQDDYCNRBJ-UHFFFAOYSA-N 512.474 4.645 0 20 KJAD CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1 199979348 WVORGVRHMQFKTN-QQVGOMKTSA-N 798.695 4.798 0 20 KJAD O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 514394916 WHEXASYMKPVFMC-UHFFFAOYSA-N 507.984 4.946 0 20 KJAD CC(C)[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 514385253 FFTAARBSIMNDOH-YADARESESA-N 528.700 4.953 0 20 KJAD C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)n2Cc2ccco2)C1 514395127 CTSQIRKQJWVSJU-HSALFYBXSA-N 522.675 4.648 0 20 KJAD Nc1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)CC3)s1 1815190210 RVVZVQLJJZLWGH-CYBMUJFWSA-N 500.005 4.635 0 20 KJAD CCCn1c(CCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 514393988 DVEBHZNJOUUTEV-GOSISDBHSA-N 518.630 4.661 0 20 KJAD CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 514392497 WWEGNWOPKZENPH-QFIPXVFZSA-N 538.939 4.689 0 20 KJAD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCc3cc(OC)c(OC)cc3[C@H]1c1cccs1)n2CC(C)C 514376834 IAVIQJZAMNCELU-MHZLTWQESA-N 593.750 4.940 0 20 KJAD COc1cccc([C@@H](CNC(=O)Nc2ccc(C)c(NC(=O)NC[C@H](c3cccc(OC)c3)N(C)C)c2)N(C)C)c1 514382527 OLJHVQHVGIWHIL-FQLXRVMXSA-N 562.715 4.861 0 20 KJAD COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1 514386701 YYRDGAXDUOPRKT-OAHLLOKOSA-N 503.024 4.832 0 20 KJAD O=C(CCN1CCC(C(=O)N2CCCCC2)CC1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)c1 514379603 APXHWVCIDOHCBD-UHFFFAOYSA-N 567.539 4.847 0 20 KJAD Cc1nc(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@H]3CCS(=O)(=O)C3)cc2)cs1 514388005 LMGWIUJMECEQPO-IBGZPJMESA-N 507.641 4.661 0 20 KJAD CCOc1cc(-c2nnc(S[C@H](C)C(=O)NCc3ccc(OC)c(OC)c3)o2)cc(OCC)c1OCC 514389091 YSHWGOQEGKSBNZ-MRXNPFEDSA-N 531.631 4.747 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)c3ccc(CCNS(C)(=O)=O)cc3)n2C2CCCCC2)cc1 514390053 WLDUKQSOENZGGC-UHFFFAOYSA-N 528.700 4.526 0 20 KJAD NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 684393893 SAYGYTLFZVSZEM-RLWLMLJZSA-N 500.002 4.830 0 20 KJAD Cc1ccc(NC(=O)c2nnc(COC(=O)CSc3nccn3-c3cccc(Cl)c3)s2)cc1 844266592 HIEJCHIQCPLVEK-UHFFFAOYSA-N 500.005 4.773 0 20 KJAD CCOc1ccc(CCC2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc(C(C)=O)c4)CC3)CC2)cc1 514392524 XFBKJMCQRXKSDG-UHFFFAOYSA-N 526.699 4.560 0 20 KJAD COCCCn1c(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)nnc1-c1ccc(OC)c(OC)c1 514403013 OLXPOORBNWVGQT-UHFFFAOYSA-N 549.049 4.544 0 20 KJAD Cc1ccc2nc(-c3ccc(NC(=O)CSc4nnc(N5CCOCC5)n4C[C@@H]4CCCO4)cc3)sc2c1 514394476 VOTOQTFXWNGVNC-NRFANRHFSA-N 550.710 4.610 0 20 KJAD Cc1ccc([C@@H](CNC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)N2CCOCC2)o1 514393288 VPCPXCXTOPJQJV-GHTZIAJQSA-N 538.695 4.777 0 20 KJAD CCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1S(=O)(=O)N1CCCC1 514294880 CVKNAEPVVDORNH-UHFFFAOYSA-N 517.051 4.637 0 20 KJAD C[C@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)n2Cc2ccco2)C1 514395129 CTSQIRKQJWVSJU-ZCNNSNEGSA-N 522.675 4.648 0 20 KJAD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 514291666 IEXYCQAEUGUZIE-UHFFFAOYSA-N 613.802 4.536 0 20 KJAD CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 514298875 ACASAWBGUQNEFY-UHFFFAOYSA-N 512.701 4.557 0 20 KJAD COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 514395361 IYBXCVKJUONEFW-MSOLQXFVSA-N 500.068 4.883 0 20 KJAD COc1ccc(CN(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)[C@@H](C)Cc2cccs2)cc1 514402635 DDZMMAGRTTWXES-NRFANRHFSA-N 567.737 4.578 0 20 KJAD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 596484461 UMZCHHFTLISVBZ-XMMPIXPASA-N 500.002 4.974 0 20 KJAD Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 514403267 KXBGAUJSFHKFJL-UHFFFAOYSA-N 555.766 4.983 0 20 KJAD CCOc1cc(-c2nnc(SCC(=O)c3ccc(CCNC(C)=O)s3)o2)cc(OCC)c1OCC 514389842 ORFAREGZKPBANQ-UHFFFAOYSA-N 519.645 4.648 0 20 KJAD CCCCN(C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)c1c(O)nc(=O)n(CCCC)c1N 514403818 QWLMODUVBXLGEN-UHFFFAOYSA-N 568.725 4.775 0 20 KJAD CCN(C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 514404427 HAHYVWXICXRBLG-UHBLESBASA-N 522.762 4.520 0 20 KJAD Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccoc3Cl)sc2C1 1821808389 PJYPUNUILOIZLD-GFCCVEGCSA-N 500.005 4.756 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n(CC(F)(F)F)c3C)o2)c1 514290791 BPOAIFFETLJBLX-UHFFFAOYSA-N 530.594 4.723 0 20 KJAD COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 514395362 IYBXCVKJUONEFW-QZTJIDSGSA-N 500.068 4.883 0 20 KJAD Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1nc(/C=C\c2ccccc2)nc2sc3c(c12)CCCC3 514300577 YZRRMXJRTMREHF-JYBLJSLWSA-N 537.736 4.997 0 20 KJAD CCOc1ccc(Cc2cc([C@@H]3O[C@@H](COC(C)=O)[C@H](CC(=O)O)[C@H](CC(=O)O)[C@@H]3CC(=O)O)ccc2Cl)cc1 2048532262 RZBNKHVXMOINGH-JCQYYFEVSA-N 577.026 4.605 0 20 KJAD CC[C@H](C)n1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514374475 CINSOKPRUXLDPY-SFHVURJKSA-N 558.730 4.636 0 20 KJAD COCCCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O 514375409 OXWLKNBQDGMDGS-SFHVURJKSA-N 598.212 4.579 0 20 KJAD CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 514394241 KKFYZGRWYKFCPO-NJYVYQBISA-N 538.718 4.542 0 20 KJAD Cc1nc2ccccc2n1CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 24477468 PSAKJLZAIIHRDQ-VWLOTQADSA-N 500.002 4.637 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2[C@@H](C)COC)c1 514290890 AZXBVDUASZTLCQ-KRWDZBQOSA-N 552.122 4.567 0 20 KJAD O=C(CSc1ncnc2ccccc12)N1CCC(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 514376786 RDXQBPFDIBNNKQ-QFIPXVFZSA-N 517.680 4.934 0 20 KJAD Cc1sc2nc([C@H](C)Sc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)nc(O)c2c1C 514382729 BTGFKKANLWFFML-INIZCTEOSA-N 514.652 4.597 0 20 KJAD O=C(Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)c1cnn(-c2cccc(Cl)c2)c1 614646160 OUTXWOACJGHFJZ-UHFFFAOYSA-N 500.002 4.669 0 20 KJAD Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 514291938 JOHMSOYSBNDAGD-UHFFFAOYSA-N 561.417 4.556 0 20 KJAD CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31602892 GDFGYBDOJDYNKQ-OAQYLSRUSA-N 500.002 4.595 0 20 KJAD O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 514405788 ZIGVNTJMXGCDRM-KRWDZBQOSA-N 501.703 4.790 0 20 KJAD CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 514382934 CABIVGGHPNDMDL-UHFFFAOYSA-N 516.660 4.659 0 20 KJAD C[C@@H](Sc1nnc(S[C@H](C)C(=O)N2CCc3sccc3C2)s1)C(=O)N1CCc2sccc2C1 514395814 URKFJHKXUGBWSJ-ZIAGYGMSSA-N 536.795 4.792 0 20 KJAD CC(C)(C)OC(=O)[C@]1(Cn2ccnc2)C[C@@H](C(=O)O)[C@@H](c2cccs2)N1C(=O)OCc1ccccc1 407987035 RATHPSBOJRIUPZ-BNIKKZEQSA-N 511.600 4.510 0 20 KJAD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 514380694 TXLNHVGOEDWAEX-UHFFFAOYSA-N 566.429 4.900 0 20 KJAD CCCN(C(=O)[C@H](C)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 514396018 ZFIXRISMVLBDNO-KSEOMHKRSA-N 589.805 4.519 0 20 KJAD Cc1ncsc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)sc2C1 1816016652 NHHBLGMMPJRQMC-AWEZNQCLSA-N 500.005 4.756 0 20 KJAD COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)c1 514385987 YPWNBYZMKTXQNH-PKOBYXMFSA-N 521.643 4.592 0 20 KJAD O=C(Nc1nc(CC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cs1)c1cccs1 490746603 PAELMFUHDJSMOV-UHFFFAOYSA-N 500.005 4.894 0 20 KJAD CCCCn1c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nnc1-c1ccc(OC)cc1 514382792 VURIFSNATHJBAV-UHFFFAOYSA-N 507.660 4.723 0 20 KJAD COc1ccc(NC(=O)CCSc2nnc(-c3cc(C)cc(C)c3)o2)cc1S(=O)(=O)N1CCCCC1 514393217 SAFWXPOSXKEMCM-UHFFFAOYSA-N 530.672 4.658 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C2CCCCC2)c1 514384671 SXWUXKWFQLUDHV-UHFFFAOYSA-N 509.632 4.906 0 20 KJAD CCC(CC)c1cc[n+](/C(C(O)=c2ccc3c(c2)CCC(=O)N=3)=C(/S)N[C@H](C)c2ccccc2)cc1 917608841 CRYLYEXYNRHYTL-HXUWFJFHSA-O 500.688 4.743 0 20 KJAD CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)nnc1[C@H](CC)N(C)C 514376026 ZPXLVZQGSJCROC-QFIPXVFZSA-N 547.795 4.927 0 20 KJAD CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514387366 FEQMTMZQNKWVKC-INIZCTEOSA-N 553.632 4.888 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@H](C)c3ccc(F)cc3)n2[C@@H](C)COC)c1 514391748 PUXWRKIWNHKQPF-VQTJNVASSA-N 577.748 4.634 0 20 KJAD Cn1cnnc1Sc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 494984256 NBULPTCZSLSAHT-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD Cc1sc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)nc1-c1ccc(F)cc1 514382310 IVGRVUGTMGBWOU-SFHVURJKSA-N 525.631 4.800 0 20 KJAD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1snnc1C1CC1)CC2)c1ccc2occ(Cl)c2c1 1821432587 RXQIIZIGILALFC-GFCCVEGCSA-N 500.005 4.811 0 20 KJAD CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CSc2nc(C)nc3sc(C)c(C)c23)c(O)nc1=O 514295480 JTYRJWRVNRRXLL-UHFFFAOYSA-N 568.725 4.595 0 20 KJAD CCOCCCn1c(S[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)nc2ccc(Br)cc2c1=O 514381513 HTUHMVMQPGMGHY-HNNXBMFYSA-N 550.475 4.722 0 20 KJAD Cc1c(-c2ccccc2)sc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1C(=O)N1CCCCC1 514401629 ALUNVWQHKHDROU-UHFFFAOYSA-N 552.722 4.784 0 20 KJAD COC(=O)c1cccc(NC(=O)CSc2nc3scc(-c4ccccc4Cl)c3c(=O)n2C)c1 612646094 NLFTWNJIJDTATD-UHFFFAOYSA-N 500.001 4.833 0 20 KJAD Cn1cnnc1Sc1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)cc1 589449066 BUICHXZXGFBVFH-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD Cn1cnnc1SCC(=O)Nc1cccc(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)c1 8804653 AUJURFDQQQNYTR-UHFFFAOYSA-N 500.005 4.680 0 20 KJAD Cn1ccnc1Sc1ncc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1Cl 509858285 NDVOKQULDWFJAB-UHFFFAOYSA-N 500.005 4.673 0 20 KJAD COc1ccc(CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)C2CC2)cc1 514385647 PHAUNIQXNKMJIA-QFIPXVFZSA-N 517.655 4.897 0 20 KJAD CCOc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 514386446 PPDRSSKYPAPBFZ-GNXDEIAESA-N 516.646 4.738 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 514404919 NTKLJVAOERLDQC-NRFANRHFSA-N 580.654 4.837 0 20 KJAD CCOc1ccc(Cc2cc([C@H]3O[C@@H](COC(C)=O)[C@H](CC(=O)O)[C@H](CC(=O)O)[C@@H]3CC(=O)O)ccc2Cl)cc1 114735069 RZBNKHVXMOINGH-RXUHFGSOSA-N 577.026 4.605 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2[C@H](C)COC)c1 514293815 TVBWWSKMTYECCS-HXUWFJFHSA-N 545.731 4.531 0 20 KJAD O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 514390455 KKNRUZBMGWDVJZ-UHFFFAOYSA-N 510.019 4.622 0 20 KJAD CC(C)(C)OC(=O)[C@]1(Cn2ccnc2)C[C@@H](C(=O)O)[C@H](c2cccs2)N1C(=O)OCc1ccccc1 215157505 RATHPSBOJRIUPZ-NYUJMHJJSA-N 511.600 4.510 0 20 KJAD CCn1c(S[C@@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514375125 LHABGGPYCHQFKA-INIZCTEOSA-N 544.728 4.930 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](C)c3cccs3)n2CC(C)C)c1 514375815 WJTKELWEFFRSLA-GOSISDBHSA-N 535.761 4.663 0 20 KJAD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1 514381040 ZLKSMMWUDRKQKE-FXAWDEMLSA-N 555.619 4.672 0 20 KJAD COc1ccccc1-c1nnc(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1 514291939 IPCSGYDLEGCMAJ-XMMPIXPASA-N 568.765 4.637 0 20 KJAD C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc(Br)cc1 514375414 PSVHRUNQHLTVJI-YOEHRIQHSA-N 507.479 4.918 0 20 KJAD CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1 514393612 HCZZBOXMQVKEJX-JOCHJYFZSA-N 574.103 4.869 0 20 KJAD COc1ccc([C@@H]2CCCN2C(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1OC 514395559 NELNWAZYHKHZOF-QHCPKHFHSA-N 525.671 4.685 0 20 KJAD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC[C@H]3c3ccc(OC)cc3)CC2)cc1 514386983 BLJRFXSOYAIFTH-SANMLTNESA-N 500.661 4.639 0 20 KJAD Cc1ccc(NC(=O)c2sc(-c3ncccn3)nc2C)cc1S(=O)(=O)Nc1cccc(Cl)c1 615242604 ZDLNYXAWNDPCKY-UHFFFAOYSA-N 500.005 4.923 0 20 KJAD CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 514293879 UMQRYCULWJPAOE-HXUWFJFHSA-N 506.550 4.615 0 20 KJAD COc1cc(-c2nnc(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)n2-c2ccccc2F)cc(OC)c1OC 514375419 OYTYIJVWZIBCPI-OAQYLSRUSA-N 618.753 4.540 0 20 KJAD O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 514377473 XBCJJAPDLRYFOZ-UHFFFAOYSA-N 565.536 4.600 0 20 KJAD Cc1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1 524235536 FWQVGORMEOTAND-UHFFFAOYSA-N 500.005 4.544 0 20 KJAD CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H](C)C(=O)NC(=O)NCC(F)(F)F 514389159 ASUAAUDSPBNXEU-LBPRGKRZSA-N 507.966 4.740 0 20 KJAD C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccco1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 514394120 PYWARPYKGZEDEP-CYBMUJFWSA-N 515.945 4.548 0 20 KJAD COc1cc(-c2nnc(SCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)n2C2CCCCC2)cc(OC)c1OC 514389874 PZMCQGFUKRBJTG-UHFFFAOYSA-N 594.738 4.945 0 20 KJAD C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 514405442 WLRSBPSPBLYMHR-HSZRJFAPSA-N 582.796 4.606 0 20 KJAD O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 518678647 FQJNQEODQNUUCZ-UHFFFAOYSA-N 500.005 4.925 0 20 KJAD CN(C(=O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)C(c1ccccc1)c1ccccc1 514304471 VNZUWLRISBWHCR-XMMPIXPASA-N 505.688 4.788 0 20 KJAD CC[C@@H](c1nnc(SCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)n1CCN1CCOCC1)N(C)C 514304704 WVBBZVZISOUJDC-MHZLTWQESA-N 588.782 4.515 0 20 KJAD C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)N(C)Cc1ccc(Br)cc1 514395257 GMFBPYHTFXXYNJ-QGZVFWFLSA-N 579.542 4.813 0 20 KJAD COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)c1 514300822 RKJGOBNRWMFRSC-NRFANRHFSA-N 616.372 4.993 0 20 KJAD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3Cl)c12 514382481 MTSWBTOWDBZMCB-AWEZNQCLSA-N 523.840 4.645 0 20 KJAD COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC 514394177 HRXLDRBWPLRBBN-RUZDIDTESA-N 508.640 4.621 0 20 KJAD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)sc3C2)s1 1816016811 RWQSIWBPTZWMSY-CQSZACIVSA-N 500.005 4.756 0 20 KJAD COc1ccc(CCn2c(SCc3nnc(C)o3)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 514291638 HVMCTMADQZAXGT-CQSZACIVSA-N 512.657 4.826 0 20 KJAD COCCN(C(=O)CCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1c(O)nc(=O)n(CC(C)C)c1N 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659.156 4.677 0 20 KJAD COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 514375972 YDHJFUOWLBJZOP-OAQYLSRUSA-N 599.779 4.989 0 20 KJAD C[C@@H](c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 514299838 JRBIEFMXYGDETH-CVEARBPZSA-N 533.620 4.858 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3OCCOC)n2[C@@H](C)COC)c1 514291054 CMIDHQJOFRXIGD-IBGZPJMESA-N 659.753 4.958 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)n2CC 514394222 JUIXEIZYXFYWMK-QGZVFWFLSA-N 506.619 4.517 0 20 KJAD Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 514387129 CPSNUQCUTYPNGS-GOSISDBHSA-N 500.646 4.647 0 20 KJAD CCOc1c(Br)cc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 514405687 YFKFETQBOUONTE-UHFFFAOYSA-N 543.867 4.743 0 20 KJAD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 596496078 USWRTTQPVMAULM-DEOSSOPVSA-N 500.002 4.974 0 20 KJAD NC(=O)c1cc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)ccc1O 27161326 MLSHETOFHSTMTJ-UHFFFAOYSA-O 500.575 4.559 0 20 KJAD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 489939008 AMZOFOSNCJLFCD-JOCHJYFZSA-N 500.002 4.756 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2CC(C)C)c1 514293023 ONKGWECTFYDTNU-QFIPXVFZSA-N 625.821 4.549 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 514404920 NTKLJVAOERLDQC-OAQYLSRUSA-N 580.654 4.837 0 20 KJAD CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1 514386392 NGMZRUNKYAKQJA-UHFFFAOYSA-N 598.795 4.556 0 20 KJAD CCn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514300099 SQCBUMHOCKQDRT-UHFFFAOYSA-N 575.038 4.548 0 20 KJAD O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C12CC3CC(CC(C3)C1)C2 514375768 WSWGRLSFEAMDRO-UHFFFAOYSA-N 501.674 4.789 0 20 KJAD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1CCN(S(=O)(=O)c3ccc(C)cc3)CC1)CC2 514293675 VHFWMFWUNNQFFA-HHHXNRCGSA-N 540.707 4.649 0 20 KJAD CC(=O)NCCCc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)n2)cc1 514384882 VKHVZODJIIGSNH-UHFFFAOYSA-N 554.738 4.535 0 20 KJAD Cc1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1S(=O)(=O)Nc1ccccc1Cl 589443222 IYTXEEJFBJVSNF-UHFFFAOYSA-N 500.005 4.544 0 20 KJAD CC(C)OC(=O)[C@@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(Sc2ccc(O)cc2)cc1 2048529630 SPKAAWQHMIQNAR-ADTILPHASA-N 600.638 4.830 0 20 KJAD CC[C@H](c1nnc(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)n1CCN1CCOCC1)N(C)C 514374660 DRDCCJNKMBOBPY-GHTZIAJQSA-N 553.758 4.854 0 20 KJAD CCCCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)nnc1[C@H](CC)N(C)C 514375509 QMTQNQGDMAPWJO-SFHVURJKSA-N 517.618 4.866 0 20 KJAD CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1 514375615 SYJOXQJAZPEXCF-UHFFFAOYSA-N 500.646 4.765 0 20 KJAD CCCn1c(CCC(=O)N(C)Cc2nc3ccccc3s2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514300844 SFVUDHPFXQTLCH-UHFFFAOYSA-N 527.716 4.678 0 20 KJAD C[C@H](c1nnc(SCC(=O)NCc2ccc(OC(F)F)cc2)n1-c1ccccc1)N1CCCCC1 514405358 TYODJRAHFQDSOI-GOSISDBHSA-N 501.603 4.824 0 20 KJAD CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)c3ccc(NC(=O)C(C)(C)C)cc3)nnc12 514296553 JAFRFGBSTTYCBS-SFHVURJKSA-N 535.670 4.819 0 20 KJAD O=c1[nH]c(CN2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)nc2cc(-c3ccc(F)cc3)sc12 514380773 PVNDAKHWRGOIMS-UHFFFAOYSA-N 562.696 4.698 0 20 KJAD Cc1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)s2)c(=O)n(-c2ccccc2)n1C 514383597 HJACFFGOWGZNDL-OAQYLSRUSA-N 697.909 4.792 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@@H](C)CC)sc(C(=O)N(C)C)c1C 514291440 FEABKPCFMQSOEI-SFHVURJKSA-N 664.876 4.926 0 20 KJAD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C 514292648 NLBLSNPWOREZDS-OAQYLSRUSA-N 582.550 4.657 0 20 KJAD CCN(CC)c1ccc(-c2nnc(SCc3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)n2C)cc1 514384538 PLBRMZHNQVINRO-UHFFFAOYSA-N 510.620 4.696 0 20 KJAD COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1 514404086 YEDJVQJGICMSGZ-DEOSSOPVSA-N 525.671 4.685 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 514291804 HWMXOHVCMZVZAW-UHFFFAOYSA-N 535.453 4.635 0 20 KJAD O=C(N[C@H]1CCSc2c(F)cccc21)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 514389828 NXJWRFNLRJOXNK-SFHVURJKSA-N 502.555 4.599 0 20 KJAD CSc1cc(/C(O)=C(/C(=S)N[C@@H](C)c2cccs2)[n+]2cccc(CO)c2)ccc1NC(C)=O 726581082 ZIBNZFOQNYGRQN-HNNXBMFYSA-O 500.691 4.770 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2[C@H](C)COC)c1 514294349 WVDBIWHMFGZJCL-QGZVFWFLSA-N 552.122 4.567 0 20 KJAD Cc1c(-n2c(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 514375638 SVLZKUWXHRETQC-XMMPIXPASA-N 655.246 4.826 0 20 KJAD CCN(CC)S(=O)(=O)c1cc(NC(=O)CSCCCC(=O)Nc2c(C)cccc2C)ccc1C 514379656 CFGXLFSXEOVVDS-UHFFFAOYSA-N 505.706 4.733 0 20 KJAD CCCCc1ccc(N/C(S)=C(/C(O)=c2ccc3c(c2)CCC(=O)N=3)[n+]2ccc(CCC)cc2)cc1 912839852 JKOXUZZXZPEILK-UHFFFAOYSA-O 500.688 4.896 0 20 KJAD CCCCCN(C(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1c(O)nc(=O)n(CCCC)c1N 514384186 PSIKHFMWBDFTJB-UHFFFAOYSA-N 585.514 4.916 0 20 KJAD CC(C)OC(=O)C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1 514389597 KRCCXHBGJQSNFY-QFIPXVFZSA-N 501.421 4.501 0 20 KJAD O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 514395195 FGVKHZLRJFEYIV-UHFFFAOYSA-N 532.041 4.503 0 20 KJAD CS(=O)(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)s1 514389230 DEOGOFLUBJQUCN-UHFFFAOYSA-N 525.121 4.842 0 20 KJAD CCCn1c(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514391860 PHRCDRTXWNMWDN-DEOSSOPVSA-N 554.713 4.544 0 20 KJAD O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 514377204 NBNSEBXCTOYTLC-UHFFFAOYSA-N 547.603 4.730 0 20 KJAD COc1ccc([C@@H]2SC[C@H](NC(=O)[C@@H](C)NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2C(=O)O)c(OC)c1 1911530847 VCOTXNPPUPDBKS-RBHMHADVSA-N 576.671 4.605 0 20 KJAD CC(C)OC(=O)[C@@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(Sc2ccc(O)cc2)cc1 2048529631 SPKAAWQHMIQNAR-ICRPASCMSA-N 600.638 4.830 0 20 KJAD CC(C)(C)OC(=O)[C@]1(Cn2cccn2)C[C@H](C(=O)O)[C@@H](c2cccs2)N1C(=O)OCc1ccccc1 407986752 GNTAWJCNJONINB-HEKZAOSPSA-N 511.600 4.510 0 20 KJAD COC(=O)Cc1sc(NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)nc1-c1ccccc1 511660082 BKAOTQXXWUZKRY-UHFFFAOYSA-N 500.005 4.711 0 20 KJAD CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nnc1[C@H](CC)N(C)C 514386227 IGDXYKYYCMAPKC-DEOSSOPVSA-N 558.774 4.642 0 20 KJAD CCOCCCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)nc2cc(Cl)ccc2c1=O 514395693 QMOPCOJZIBAUJC-KRWDZBQOSA-N 534.078 4.633 0 20 KJAD Cc1cc(C(=O)[C@@H](O)[C@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)NCC(=O)NCC(F)(F)F 2332239880 HSCRXZZPSKLNOP-HKUYNNGSSA-N 559.290 4.600 0 20 KJAD C[Si](C)(C)CCOCn1ccnc1-c1nn(COCC[Si](C)(C)C)c2cc(-c3n[nH]nc3CO)ccc12 261509041 ZIWIEFYGZHRAHV-UHFFFAOYSA-N 541.805 4.802 0 20 KJAD Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)s2)c(=O)n(-c2ccccc2)n1C 514300945 UKGWSMOSNUMCMW-LSEGOMFDSA-N 651.859 4.751 0 20 KJAD CCCCn1c(CCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21 514378858 JERDTZRETPOFMF-UHFFFAOYSA-N 570.634 4.702 0 20 KJAD CN(C)CCn1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccc(Cl)cc2)cn1 622406831 XDTHULOZNBIFRC-UHFFFAOYSA-N 500.006 4.810 0 20 KJAD O[C@H](COc1ccc(Br)cc1)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 514387878 SLJXNWMAMGREBL-UYAOXDASSA-N 508.413 4.558 0 20 KJAD O=C([C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 514377209 NDBZOEJAFSJUKQ-NLFFAJNJSA-N 512.994 4.611 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCC(c2nc3ccccc3s2)CC1 514294138 WPWKADOMNFMPGP-UHFFFAOYSA-N 554.557 4.927 0 20 KJAD CCCCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2cc(Cl)c(OC)cc2OC)c1)c1c(O)nc(=O)n(CCCC)c1N 514301728 DBPJFEMRLORAGS-UHFFFAOYSA-N 636.171 4.664 0 20 KJAD CCn1c(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 514375395 PMLSUBGHLLIWGN-UHFFFAOYSA-N 579.796 4.759 0 20 KJAD CNc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O1 103675931 OKZZBPBWGABLJR-PKTNWEFCSA-N 567.646 4.542 0 20 KJAD COc1ccccc1-c1nnc(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1 514291936 IPCSGYDLEGCMAJ-DEOSSOPVSA-N 568.765 4.637 0 20 KJAD CCOc1cc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)o2)cc(OCC)c1OCC 514375447 QJMJAGJUIMEHJL-UHFFFAOYSA-N 503.577 4.681 0 20 KJAD O=C(NC[C@H](c1ccco1)N1CCCCC1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514376840 IDKNGSRJCXHPNE-HXUWFJFHSA-N 603.377 4.549 0 20 KJAD COC(=O)c1sc(NC(=O)CCSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)c(C(=O)OC)c1C 514381597 KOQYYKAWQRBOKE-MRXNPFEDSA-N 583.692 4.669 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 514296041 IUBFKOGCVDRSBA-UHFFFAOYSA-N 529.659 4.869 0 20 KJAD CCCCn1c(N)c(N(CCC(C)C)C(=O)Cc2csc(-c3ccccc3Cl)n2)c(O)nc1=O 514383975 OJKGKKVMPYORCB-UHFFFAOYSA-N 504.056 4.730 0 20 KJAD Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1C 514392495 YAHYAWZXKDYYPE-VBOOUTDYSA-N 517.699 4.840 0 20 KJAD CN1CCC(CNc2cc(Cl)nn3c(-c4cc5[nH]c(=Nc6ccccc6)[nH]c5cc4F)cnc23)CC1 1857617843 BPRAHARGXSNSSO-UHFFFAOYSA-N 505.001 4.984 0 20 KJAD O=C(CN1CCN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1)Nc1ccccc1Cl 109039946 NYOOBDIUVMGWNQ-UHFFFAOYSA-N 500.002 4.589 0 20 KJAD C[C@H](c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1-c1ccc(F)cc1)N(C)C 514375744 VDMNAONYNFVFSF-MRXNPFEDSA-N 552.598 4.615 0 20 KJAD Nc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)sc3C2)s1 1817407146 IOFGZONRYILTTO-CYBMUJFWSA-N 500.005 4.635 0 20 KJAD COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1 514387022 CSMBWYDHWCTUBX-BWKNWUBXSA-N 522.671 4.743 0 20 KJAD O=C(NCc1cccnc1)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 30655190 BYBKYPLZJDSJAY-UHFFFAOYSA-N 500.002 4.756 0 20 KJAD COc1ccc(CN(C)C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc1 514375227 MVRJXMIMUZRAQO-UHFFFAOYSA-N 531.629 4.614 0 20 KJAD CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 514381054 ZVKRQQMYANQILP-SFHVURJKSA-N 525.593 4.678 0 20 KJAD COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)c2ccccc12 514387045 AHVNTZYVEBNLJK-MUUNZHRXSA-N 502.611 4.985 0 20 KJAD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)n2)s1 514401302 SKIWTLOTQJOOQY-UHFFFAOYSA-N 532.713 4.713 0 20 KJAD CC[C@H](c1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)n1CCN1CCOCC1)N(C)C 514402753 MFOGESZHVQCLRG-QGZVFWFLSA-N 669.282 4.641 0 20 KJAD CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 514291574 HCKYWTYAFDGFJQ-UHFFFAOYSA-N 523.434 4.821 0 20 KJAD O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 514393004 KDDWWPSCBCMQOO-UHFFFAOYSA-N 559.088 4.578 0 20 KJAD C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 514395459 LBFORMMBXFOFPD-IEBWSBKVSA-N 519.627 4.886 0 20 KJAD CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)CC1 514376316 HPSZEOISWBVHGG-GOSISDBHSA-N 513.063 4.929 0 20 KJAD Cc1c(NS(=O)(=O)c2ccc(Cl)c(NC(=O)CC3(C(=O)O)CCCCCC3)c2)c(=O)n(-c2ccccc2)n1C 514390728 UJBCLJRNZGMGCT-UHFFFAOYSA-N 575.087 4.692 0 20 KJAD CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCCC(=O)O)[C@H]4OC(C)(C)O[C@H]43)c2n1 2048531994 VBPNSEZQFWFIGM-BHRIIFHJSA-N 604.680 4.685 0 20 KJAD C[C@H](c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1-c1ccc(F)cc1)N(C)C 514301063 XNCARGLXIGQQSF-XMSQKQJNSA-N 525.650 4.646 0 20 KJAD CC[C@H](c1nnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1CCN1CCOCC1)N(C)C 514374494 CSRVQBNGOZOSRR-HSZRJFAPSA-N 516.756 4.601 0 20 KJAD CC(C)OC(=O)[C@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(Sc2ccc(O)cc2)cc1 2048529632 SPKAAWQHMIQNAR-JWFZMOHXSA-N 600.638 4.830 0 20 KJAD CCCCn1c(CCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 514291111 CDNXNPHCTMPUJS-UHFFFAOYSA-N 563.728 4.643 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 514393229 SSHOTEMIXMPAAR-UHFFFAOYSA-N 501.580 4.846 0 20 KJAD COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1 514300643 QJNCVDICHCTHRJ-VWLOTQADSA-N 549.697 4.623 0 20 KJAD COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 514375971 YDHJFUOWLBJZOP-NRFANRHFSA-N 599.779 4.989 0 20 KJAD Cc1ccc(-n2cnnc2SCC(=O)Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1Cl 916443191 MDBCTGNPYIZVGY-UHFFFAOYSA-N 500.001 4.760 0 20 KJAD O=C1CC[C@H](N2C(=O)c3cccc(OCCOCCOCCN4CCN(Cc5ccc6cc(C(=O)Nc7cc(NC(=O)c8ccc9c(c8)OCCO9)ccc7Cl)ccc6n5)CC4)c3C2=O)C(=O)N1 1857776515 MYFXVOSCUJQYET-KDXMTYKHSA-N 946.414 4.795 0 20 KJAD CC[C@H](C)n1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514375111 KYYKPRRGHJSRPZ-WMZHIEFXSA-N 621.851 4.700 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 514377156 YZHNBQMVCQEAQX-JOCHJYFZSA-N 533.119 4.555 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC)c1c(O)nc(=O)n(CCCC)c1N 514374991 JJAHGHQARJMULZ-UHFFFAOYSA-N 568.531 4.842 0 20 KJAD COc1ccc(-c2noc(CSc3nnc(N4CCCCC4)n3-c3ccccc3OC)n2)c(OC)c1 514383101 GIUKKMWYEAEHBV-UHFFFAOYSA-N 508.604 4.626 0 20 KJAD CC(C)(C)OC(=O)n1cc(I)c2cc(-c3cnn(CCO[C@H]4CCCCO4)c3)cnc21 97973140 WPPCESIVWNEELG-IBGZPJMESA-N 538.386 4.831 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3cccc(OC)c3)n2C2CCCCC2)sc(C(N)=O)c1C 514301174 VXAYQPSIVDATPC-UHFFFAOYSA-N 586.740 4.780 0 20 KJAD COCCCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccccc1Cl 514402219 LVPDNNIZMXMZOC-MRXNPFEDSA-N 503.024 4.916 0 20 KJAD COCCCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccc(OC)c(OC)c1 514402802 DVOULHCRFPGAMB-XMMPIXPASA-N 526.659 4.957 0 20 KJAD COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1OC 514405232 SNGRQXXCDPKUBZ-FQEVSTJZSA-N 527.470 4.775 0 20 KJAD Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccoc1Cl)CC2 1817399328 DAFFUHOJWYWCQA-LBPRGKRZSA-N 500.005 4.756 0 20 KJAD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 596496079 USWRTTQPVMAULM-XMMPIXPASA-N 500.002 4.974 0 20 KJAD CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC2)c1 514382365 KXAXPYFLPBCGML-UHFFFAOYSA-N 500.636 4.791 0 20 KJAD O=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 514405179 SFEQJQPHFXMCNE-LJQANCHMSA-N 558.502 4.588 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC 514374635 DLTJRDYHYNCHQR-UHFFFAOYSA-N 546.093 4.983 0 20 KJAD CN(Cc1ccc(OC(F)F)cc1)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 514380681 STNJFPKJMBONIW-UHFFFAOYSA-N 507.386 4.654 0 20 KJAD O=C(Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccn(-c2ccccc2Cl)n1 747639355 LIGJNKBPQRJHFV-UHFFFAOYSA-N 500.002 4.669 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 514374731 GAYYPYBFLJSBOA-UHFFFAOYSA-N 601.173 4.881 0 20 KJAD CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514395865 VXMHGVBNOZKBHV-KRWDZBQOSA-N 531.729 4.591 0 20 KJAD O=C1N[C@@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)Nc2ccc(N3CCOCC3)cc21 917499923 PCZVMDDTPCBDEC-MHZLTWQESA-N 500.002 4.943 0 20 KJAD CCCCn1c(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514292131 LEZFKGNZZKHELZ-VWLOTQADSA-N 581.764 4.763 0 20 KJAD CC[C@@H](c1nnc(SCc2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)n1CCN1CCOCC1)N(C)C 514375027 KCOVYMCRRRCAHA-NRFANRHFSA-N 567.785 4.909 0 20 KJAD Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)s2)c(=O)n(-c2ccccc2)n1C 514383594 HJACFFGOWGZNDL-NRFANRHFSA-N 697.909 4.792 0 20 KJAD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)[nH]n1)c1cnc(Cl)s1 1819911635 XLPFLDPTAHLSRS-CQSZACIVSA-N 500.009 4.658 0 20 KJAD O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 514391139 HNFOSJXTSIBJOI-WFXMLNOXSA-N 587.949 4.568 0 20 KJAD CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 514375493 QAJPLKLBTAFUGK-UHFFFAOYSA-N 567.037 4.725 0 20 KJAD COc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(OC)c1 514385654 PPVNSHYWRJHBSP-QFIPXVFZSA-N 501.421 4.682 0 20 KJAD COc1cc2c(cc1OC)CN(C(=O)CSc1nnc([C@@H](C)N3CCCCC3)n1-c1ccccc1)CC2 514386120 DNYHWEWEMCTGPR-HXUWFJFHSA-N 521.687 4.508 0 20 KJAD O=C(CCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1cc(Cl)ccc1Cl 514391620 MIHNENOFNWUSNP-UHFFFAOYSA-N 503.352 4.597 0 20 KJAD CC[C@@H](c1nnc(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)n1CCN1CCOCC1)N(C)C 514374663 DRDCCJNKMBOBPY-RXVVDRJESA-N 553.758 4.854 0 20 KJAD C[C@@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)N(c1nccs1)C1CCCCC1 514394594 OWCQQPCYMQFNRX-LJQANCHMSA-N 597.788 4.590 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N(C)Cc3c(F)cccc3Cl)n2C[C@@H]2CCCO2)cc1 514292877 OTUQJPCPPCNXGY-SFHVURJKSA-N 505.015 4.676 0 20 KJAD COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 514395363 IYBXCVKJUONEFW-ROUUACIJSA-N 500.068 4.883 0 20 KJAD CC(C)c1ccc(CN2CCN(C(=O)CSc3nnc(-c4cccnc4)n3Cc3ccco3)CC2)cc1 514381635 MDTBTBQRSRRYLS-UHFFFAOYSA-N 516.671 4.541 0 20 KJAD CC1CCN(c2nnc(SCC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)n2C[C@@H]2CCCO2)CC1 514393168 PXWMYZICQQKANK-XUZZJYLKSA-N 529.707 4.892 0 20 KJAD Cc1ccccc1[C@H](OC[C@H](O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 514382816 AEXAVIQCLNJLOY-FUFSCUOVSA-N 541.614 4.737 0 20 KJAD COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1OC 514395664 PVYCLDZNQPETEX-OALUTQOASA-N 514.673 4.659 0 20 KJAD NC(=O)C1CCN(c2ncccc2CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 729376564 RCQBHBBFACEZCA-UHFFFAOYSA-N 500.002 4.582 0 20 KJAD COC(=O)c1cccc(Cc2cnc(NC(=O)c3cnc(Sc4nccn4C)c(Cl)c3)s2)c1 505292634 XKDAAVQYXBYWRO-UHFFFAOYSA-N 500.005 4.706 0 20 KJAD Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(Cl)o1)CC2 1817400537 SKDYGMARRDIMIC-GFCCVEGCSA-N 500.005 4.756 0 20 KJAD CC(C)(C)OC(=O)[C@]1(Cn2ccnc2)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)OCc1ccccc1 97100462 RATHPSBOJRIUPZ-JDRJUVJTSA-N 511.600 4.510 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 514291909 IMHRLBKULSYYRG-OAHLLOKOSA-N 541.571 4.804 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)Nc1c(C)nn(C)c1C)n2-c1ccc(OC)cc1 514386560 SLUHHZGEYUPZBG-IBGZPJMESA-N 570.741 4.534 0 20 KJAD COc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC 514390032 VQIOCUCNAIYIAO-UHFFFAOYSA-N 549.697 4.619 0 20 KJAD CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)CC1 514401900 BEIZJDXBLRWOJM-MRXNPFEDSA-N 547.475 4.631 0 20 KJAD CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 514304844 ZQKDVGGCNMVEDP-UHFFFAOYSA-N 500.646 4.513 0 20 KJAD CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(OCC(=O)N4CCCCC4)c(OCC)c3)c2)cc1 514380751 PCITVAZMYDZVGJ-UHFFFAOYSA-N 611.717 4.937 0 20 KJAD COC(=O)c1cc(CNC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OC 514404719 KDKPSAXYPTZBCD-UHFFFAOYSA-N 522.667 4.589 0 20 KJAD C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 514404953 OOSVLVSRBASLJM-QGZVFWFLSA-N 515.035 4.758 0 20 KJAD Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n[nH]1 520066773 PEBPMKNWDPDWLG-UHFFFAOYSA-N 500.006 4.906 0 20 KJAD O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H](c1ccccc1)c1cccs1 18527376 CLMCTVZSZRSDCP-OAQYLSRUSA-N 500.001 4.993 0 20 KJAD CCN(C(C)=O)c1nc(CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cs1 514291863 JQFSNBAAJPPLBN-MRXNPFEDSA-N 504.703 4.637 0 20 KJAD CCOC(=O)c1sc2[nH]c([C@H](C)Sc3nnc(N4CCCCC4)n3Cc3ccco3)nc(=O)c2c1C 514392938 IEESWMAEKIFMJW-HNNXBMFYSA-N 528.660 4.546 0 20 KJAD Cc1sc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)nc1-c1ccc(F)cc1 514382309 IVGRVUGTMGBWOU-GOSISDBHSA-N 525.631 4.800 0 20 KJAD Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)N[C@H](C)CCCC(C)C 514401939 CJDPMDHCKDERGH-HXUWFJFHSA-N 512.676 4.538 0 20 KJAD CCCCn1c(SCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)nc2sc(C)c(C)c2c1=O 514395697 QOVHXFRBIBMELN-UHFFFAOYSA-N 512.701 4.519 0 20 KJAD Cc1ccc(S(=O)(=O)n2ccc3c(N4CC[C@@H](C)[C@@H](N(C)c5ncnc6c5ccn6S(=O)(=O)c5ccc(C)cc5)C4)ncnc32)cc1 2048531819 GTLHTNRNNLEQRF-GIGWZHCTSA-N 670.821 4.618 0 20 KJAD Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 25932344 KNGMBLZBXMDDEZ-UHFFFAOYSA-N 500.001 4.898 0 20 KJAD CN(C)OP(=O)(Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)ON(C)C 116977068 RNIUNVOMPOGZKD-SANMLTNESA-N 569.551 4.694 0 20 KJAD CCCNC(=O)CSc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)s1 514376933 UQSLIIXZZOLDBP-CQSZACIVSA-N 523.756 4.749 0 20 KJAD CCCOc1ccc(C(=O)CCC(=O)N(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)cc1OCCC 514383355 GYYCKOUATXDJIP-UHFFFAOYSA-N 539.629 4.942 0 20 KJAD O=C(N[C@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1ccc2occ(Cl)c2c1 1817710107 ZFKNKLNBQPZQBS-LBPRGKRZSA-N 500.005 4.811 0 20 KJAD CC(C)c1nc(N(C)S(=O)(=O)C[C@@H](O)c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 605692280 MWYNOQUFUVPRSK-AVZPEMDZSA-N 832.949 4.621 0 20 KJAD in-vitro CN(C)c1c(Cl)cccc1NC(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 615509883 UXUHHPQMCQEHCX-UHFFFAOYSA-N 500.003 4.670 0 20 KJAD O=C(CSc1nc(O)c2c(-c3ccc(F)cc3)csc2n1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 514383805 LVNCUUOFCOJHTC-GOSISDBHSA-N 535.688 4.644 0 20 KJAD C[C@H]1CCc2c(sc3nc([C@H](C)N4CCN(CC(=O)Nc5ccccc5C(F)(F)F)CC4)nc(O)c23)C1 514299845 JRBIEFMXYGDETH-HOTGVXAUSA-N 533.620 4.858 0 20 KJAD CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc2c(c1)OCCO2 514383078 FVHBDKDQKTUVMF-HSZRJFAPSA-N 501.421 4.586 0 20 KJAD CC1CCN(c2nnc(SCC(=O)N(C)Cc3ccc(OC(F)F)cc3)n2Cc2ccco2)CC1 514404449 CXQYZPOEAGYWFF-UHFFFAOYSA-N 505.591 4.508 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(F)c(NC(=O)C3CCCCC3)c1)n2C 514404884 MOLOEQJDJYWSOF-UHFFFAOYSA-N 557.692 4.833 0 20 KJAD CCCNC(=O)CSc1nnc(SCC(=O)c2cc(C)n(CCc3ccc(OC)cc3)c2C)s1 514303192 VJFZEYFDVJFAPF-UHFFFAOYSA-N 518.730 4.801 0 20 KJAD CC[C@H](c1nnc(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)n1CCN1CCOCC1)N(C)C 514294347 WVAKTCQAZVANGA-XMMPIXPASA-N 532.714 4.746 0 20 KJAD CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 514387367 FEQMTMZQNKWVKC-MRXNPFEDSA-N 553.632 4.888 0 20 KJAD O=C(CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)Nc1ccc(Cl)cc1F 514391587 LVQLADVUDPVGCI-UHFFFAOYSA-N 594.134 4.995 0 20 KJAD Cc1cnc(Cl)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(-c5cccs5)on4)sc3C2)c1 1820551664 YZOXMQFMNRNDFT-LBPRGKRZSA-N 500.005 4.756 0 20 KJAD CCOc1cc(-c2nnc(S[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)o2)cc(OCC)c1OCC 514381425 FESABCIKSBXNRC-OAHLLOKOSA-N 535.644 4.668 0 20 KJAD N=c1nc(OCc2ccccc2)c2ncn([C@H]3C[C@@H](OCc4ccccc4)[C@H](COCc4ccccc4)[C@@H]3O)c2[nH]1 2332239711 SYPCZZWUNIHLBU-RZLMRTLUSA-N 551.647 4.542 0 20 KJAD COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@H](C)C(=O)Nc2ncccn2)cc1Cl 11478457 PGUVBZZCCWNKQV-LVLBFHFTSA-N 500.005 4.704 0 20 KJAD CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)ccc1Cl 514378997 KSINPSQCHMWINO-AWEZNQCLSA-N 543.136 4.958 0 20 KJAD Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nnc(S[C@H](C)C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)s3)CC2)c1C 514299023 CGTZIEJXOVAFEI-HSZRJFAPSA-N 697.909 4.728 0 20 KJAD CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C 514384677 SEDDTEKJCFPDGA-UHFFFAOYSA-N 552.122 4.867 0 20 KJAD COc1ccc(CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)C2CC2)cc1 514385646 PHAUNIQXNKMJIA-JOCHJYFZSA-N 517.655 4.897 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(C)c4ccccc4n3)n2[C@H](C)COC)c1 514388218 RBZQCOXEBVCKKN-GOSISDBHSA-N 540.715 4.727 0 20 KJAD O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccccc1 514393001 KASWGEHBQGJWLJ-FQEVSTJZSA-N 503.550 4.941 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 514297370 VNNAOSXWPWPRCM-MRXNPFEDSA-N 547.043 4.878 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(NC(=O)C(C)C)cc3)n2[C@H](C)COC)c1 514300979 UFGWFMBFJWRAOG-HXUWFJFHSA-N 587.768 4.753 0 20 KJAD C[C@H]1CCc2c(sc3nc([C@H](C)Sc4nnc(N5CCOCC5)n4Cc4ccccc4)nc(O)c23)C1 514384466 SJKVTHXVHDLJMV-IRXDYDNUSA-N 522.700 4.851 0 20 KJAD CCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccc(C(C)(C)C)cc1 514384623 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O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCC(c2nc3ccccc3s2)CC1 514298824 HOUXLABYVLXOLH-UHFFFAOYSA-N 522.067 4.896 0 20 KJAD C[C@H](Sc1nnc(S[C@@H](C)C(=O)N2CCc3sccc3C2)s1)C(=O)N1CCc2sccc2C1 514395812 URKFJHKXUGBWSJ-KBPBESRZSA-N 536.795 4.792 0 20 KJAD O=C(N[C@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1ccc2occ(Cl)c2c1 1817836543 XVKZWQKGHXFJLD-LBPRGKRZSA-N 500.005 4.811 0 20 KJAD COc1cc(NC(=O)CSc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)c(OC)cc1Cl 514393638 IAXKWVMCPPILGN-IYBDPMFKSA-N 520.055 4.803 0 20 KJAD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(-c3nccs3)noc2c1)c1cnc(Cl)s1 1797972395 LBRQDCNMHGSQTN-BTTYYORXSA-N 500.005 4.627 0 20 KJAD O=C1CC[C@]2(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4)c3)Sc3ccc(Cl)cc3N12 503526158 CUHORHSXWHPPSA-HSZRJFAPSA-N 500.001 4.708 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)sc(C(=O)N(C)C)c1C 514295998 DUTAJSJMMPCAEW-IBGZPJMESA-N 584.768 4.793 0 20 KJAD Cc1cc(C(=O)CSc2nc3ccc(Br)cc3c(=O)n2CC(C)C)c(C)n1[C@@H]1CCS(=O)(=O)C1 514381929 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C[C@@H]1CCc2c(sc3nc([C@@H](C)Sc4nnc(N5CCOCC5)n4Cc4ccccc4)nc(O)c23)C1 514384465 SJKVTHXVHDLJMV-IAGOWNOFSA-N 522.700 4.851 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c1 514404936 OODCHWKZRKEVCD-HSZRJFAPSA-N 616.785 4.625 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(=O)c4c(C)c(C(C)=O)sc4[nH]3)n2CC(C)C)c1 514294381 YJNJUVAHBWLUSM-UHFFFAOYSA-N 588.781 4.733 0 20 KJAD CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nnc1[C@@H](CC)N(C)C 514386228 IGDXYKYYCMAPKC-XMMPIXPASA-N 558.774 4.642 0 20 KJAD CCCn1c(CS[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514395843 VJPNOIYAAVYDCG-FQEVSTJZSA-N 558.770 4.852 0 20 KJAD CC(=O)Nc1cccc(-n2nnnc2SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 614514926 WOEVDVXUVMGNNV-UHFFFAOYSA-N 500.009 4.708 0 20 KJAD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2CCCOC)c1 514395443 KNGHGDRKFPBTRE-QGZVFWFLSA-N 531.078 4.688 0 20 KJAD CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC)c1ccccc1 514403923 UETXCURTGMAWAH-LEWJYISDSA-N 559.758 4.717 0 20 KJAD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCc3cc(OC)c(OC)cc3[C@@H]1c1cccs1)n2CC(C)C 514376833 IAVIQJZAMNCELU-HHHXNRCGSA-N 593.750 4.940 0 20 KJAD CCOC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O 100074374 OIBIBKOKHRSMAB-UHFFFAOYSA-N 577.686 4.587 0 20 KJAD CCOCCCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4cc(C)c(CC)s4)o3)nnc12 514302213 MSAXLDAILRSOFD-UHFFFAOYSA-N 510.645 4.745 0 20 KJAD COC(=O)C1CCN(C(=O)[C@@H](Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)C(C)C)CC1 514404911 NFAFRJTWKFHMSL-DEOSSOPVSA-N 521.687 4.981 0 20 KJAD COc1cc(-c2nnc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)n2C2CCCCC2)cc(OC)c1OC 514301395 ZKPZMHYAYGXJEA-JOCHJYFZSA-N 592.784 4.527 0 20 KJAD NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 684393882 SAYGYTLFZVSZEM-HFZDXXHNSA-N 500.002 4.830 0 20 KJAD COCCN(C(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1)c1c(O)nc(=O)n(CC(C)C)c1N 514299425 FSDNIKJHUIXATN-UHFFFAOYSA-N 652.744 4.686 0 20 KJAD CCCCN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N 514304377 SJDWLVPJTKBHEU-QFIPXVFZSA-N 540.064 4.535 0 20 KJAD O[C@H](COc1cccc(Br)c1)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 514400958 GRMOHYBQFKEHAM-UYAOXDASSA-N 508.413 4.558 0 20 KJAD CC(C)Cn1c(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)nnc1N1CCOCC1 514405628 YZZXKXUVSRFRRJ-OAQYLSRUSA-N 534.642 4.580 0 20 KJAD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 514383236 FHXDIBZKICSONY-UHFFFAOYSA-N 546.686 4.924 0 20 KJAD Cc1c(-c2ccccc2)sc(NC(=O)COc2ccccc2C(=O)N2CCCCC2)c1C(=O)N1CCOCC1 514392907 HFFYEPWWGSIRKD-UHFFFAOYSA-N 547.677 4.840 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](c3ccccc3)C3CC3)n2[C@H](C)COC)c1 514394879 VMURCQHGBXXOMZ-IBVKSMDESA-N 571.769 4.543 0 20 KJAD C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 514395749 SCFDHHXQLNSEIR-QUCCMNQESA-N 512.079 4.717 0 20 KJAD O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 489939011 AMZOFOSNCJLFCD-QFIPXVFZSA-N 500.002 4.756 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)n2c1 514301896 GPVJJDZMFGAQIC-GFCCVEGCSA-N 536.001 4.551 0 20 KJAD CC(C)CN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F)c1c(O)nc(=O)n(CC(C)C)c1N 514375749 WLCWAXNZUSNAKY-UHFFFAOYSA-N 636.745 4.554 0 20 KJAD C[C@H](NC(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccc(Br)cc1 514375876 YDIODYAGCBFENR-SFHVURJKSA-N 514.493 4.654 0 20 KJAD CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 514389576 KDTWPZYHTOUSIO-IBGZPJMESA-N 518.985 4.828 0 20 KJAD O=C(COC(=O)c1ccsc1NC(=O)c1ccccc1Cl)NCCc1nc2ccccc2s1 730606787 YDVZQJHXQHMWRN-UHFFFAOYSA-N 500.001 4.779 0 20 KJAD CCC(CC)c1cc[n+](/C(C(O)=c2ccc3c(c2)CCC(=O)N=3)=C(/S)N[C@@H](C)c2ccccc2)cc1 917608840 CRYLYEXYNRHYTL-FQEVSTJZSA-O 500.688 4.743 0 20 KJAD CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 514303812 ZSYUOJOBZCQOGB-UHFFFAOYSA-N 558.722 4.794 0 20 KJAD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)c12 514382379 LWENCOHNIHDPAU-KRWDZBQOSA-N 558.686 4.512 0 20 KJAD CN(Cc1ccc(Br)s1)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 514383115 CMQLBQGYXUURSI-UHFFFAOYSA-N 500.256 4.784 0 20 KJAD COC(=O)CCCCCn1c(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)nc2ccccc2c1=O 514392533 YLRWFWXTWXFNBN-UHFFFAOYSA-N 534.034 4.531 0 20 KJAD CC(C)(C)C(=O)OC[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 256111384 PLXCBOJERHYNCS-JRSUCEMESA-N 600.746 4.764 0 20 KJAD O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 514290790 BPMAIXZSTPCTMA-QGZVFWFLSA-N 553.632 4.772 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(Br)cc3)n2C[C@@H]2CCCO2)cc1 514293463 VCNGEEUDEAUBPO-IERDGZPVSA-N 531.476 4.865 0 20 KJAD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCCCC(=O)Nc1c(C)cccc1C 514380798 QSHKTSLTZRCRLD-UHFFFAOYSA-N 533.716 4.577 0 20 KJAD Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)sc3C2)cs1 1816016664 NMWIHZVPKAJEDW-AWEZNQCLSA-N 500.005 4.756 0 20 KJAD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(Cl)s2)[nH]n1)c1csc(-c2cccnc2)n1 1818149715 NBIKJOSEXTXPLT-HNNXBMFYSA-N 500.009 4.658 0 20 KJAD CCCCn1c(SCC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)nnc1[C@H](CC)N(C)C 514290885 AYWQGTJBCVOIBD-INIZCTEOSA-N 509.698 4.571 0 20 KJAD COCCCn1c(S[C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)nnc1-c1ccccc1Cl 514395479 LNBXGVQPROPWIE-QGZVFWFLSA-N 519.067 4.791 0 20 KJAD Cc1ccc(NC(=O)c2sc(-c3ncccn3)nc2C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 108024655 LOOWAEXROLXMCY-UHFFFAOYSA-N 500.005 4.923 0 20 KJAD CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O 2090605940 XYWIPYBIIRTJMM-IBGZPJMESA-N 592.937 4.605 0 20 KJAD CCN(CC)C(=O)c1ccc(NC(=O)CCSCCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1 514291143 CNHMBAGGUYGIHO-UHFFFAOYSA-N 526.703 4.741 0 20 KJAD Cc1c(-c2ccccc2)sc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1C(=O)N1CCOCC1 514383875 NGVRNIITGADRDZ-UHFFFAOYSA-N 589.686 4.514 0 20 KJAD CCOc1cccc2cc([C@H](C)NC(=O)C3CCN(C(=O)CSc4ncnc5ccccc45)CC3)oc12 514385481 IQEHAUIMXMTKAW-SFHVURJKSA-N 518.639 4.983 0 20 KJAD O=C(NCCc1ccc(OC(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 514300811 QZWSHYFBFROQML-UHFFFAOYSA-N 540.938 4.720 0 20 KJAD CC[C@H](c1nnc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1-c1ccc(OC)cc1)N(C)C 514392531 XMQKLVPDRJHHTO-HXUWFJFHSA-N 532.066 4.834 0 20 KJAD CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 514291415 DYLWRBUIPUNECQ-NRFANRHFSA-N 601.799 4.758 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(SC)c3)n2[C@@H](C)COC)c1 514292439 KVTZZBYSUCSEQC-SFHVURJKSA-N 563.771 4.636 0 20 KJAD COc1ccc([C@H]2CCCN2C(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1OC 514395558 NELNWAZYHKHZOF-HSZRJFAPSA-N 525.671 4.685 0 20 KJAD Cn1c(SCC(=O)Nc2ccc(Oc3ccc(NC(=O)CSc4nnc(C5CC5)n4C)cc3)cc2)nnc1C1CC1 514292039 KGXDWKTVEGTSPW-UHFFFAOYSA-N 590.735 4.952 0 20 KJAD CCOc1cc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(=O)OC)c3C)o2)cc(OCC)c1OCC 514292544 NNGAVOUPWKPHRN-UHFFFAOYSA-N 503.577 4.639 0 20 KJAD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 514377196 MPHCUMHTUQBDDL-UHFFFAOYSA-N 545.061 4.768 0 20 KJAD CCCCCN(C(=O)CCC(=O)Nc1nnc(SCc2ccc(F)cc2)s1)c1c(O)nc(=O)n(CCCC)c1N 514295129 HANZEYVCSZBPLR-UHFFFAOYSA-N 591.735 4.556 0 20 KJAD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)C2)s1 514393931 BSNKEGKAKUJSBV-KRWDZBQOSA-N 523.080 4.598 0 20 KJAD O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 514299435 FLFWCQOMTAIGSS-JOCHJYFZSA-N 590.569 4.532 0 20 KJAD O=C(OC[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)C(F)(F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 725326975 MVKKCJXHNMRSOK-KHCICDEESA-N 513.884 4.700 0 20 KJAD O=C(NC[C@@H]1CCN(C(=O)c2cnc(Cl)s2)[C@@H]1c1cccnc1)c1cc(-c2cccs2)on1 1810847320 XEPKHNAKOJLNMU-IFXJQAMLSA-N 500.005 4.541 0 20 KJAD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1C 514300360 LZXBXBWDURZXBI-DEOSSOPVSA-N 556.501 4.564 0 20 KJAD C=CC(=O)Nc1cccc(C(=O)N(CCOC)Cc2nc(-c3cccc(Br)c3)cs2)c1 2088601200 XOIVYUGYMFDEKU-UHFFFAOYSA-N 500.418 4.986 0 20 KJAD COc1ccc(CCn2c(SCc3nnc(C)o3)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 514291637 HVMCTMADQZAXGT-AWEZNQCLSA-N 512.657 4.826 0 20 KJAD O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 514393021 KZNYRKVDRKHCCB-AZUAARDMSA-N 526.688 4.572 0 20 KJAD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c12 514382905 BSXCKWDMNHQLAU-INIZCTEOSA-N 507.443 4.556 0 20 KJAD CC[C@@H](c1nnc(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)n1CCN1CCOCC1)N(C)C 514382322 JHUKPHNJMXPJOK-NRFANRHFSA-N 564.785 4.720 0 20 KJAD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cccnc1SCc1c(C)noc1C 514299895 KEBJTHSGHISXBT-UHFFFAOYSA-N 530.672 4.804 0 20 KJAD O[C@@H](COc1ccc(Br)cc1)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 514387873 SLJXNWMAMGREBL-AZUAARDMSA-N 508.413 4.558 0 20 KJAD CCc1c(C)sc2nc(SC[C@@H](O)COc3ccc(CCC(C)=O)cc3)n(C[C@H]3CCCO3)c(=O)c12 514387523 OIBOVRCSMFXYDI-RBBKRZOGSA-N 530.712 4.561 0 20 KJAD Ic1cc(OCCO[C@@H]2CCCCO2)c(I)cc1OCCO[C@H]1CCCCO1 261507598 KDFFEXNJPJISDK-BGYRXZFFSA-N 618.246 4.740 0 20 KJAD CC(C)[C@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc2c(c1)OCCO2 514383088 FVHBDKDQKTUVMF-QHCPKHFHSA-N 501.421 4.586 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 514291812 HCUJEOHNRFMIPJ-IBGZPJMESA-N 589.162 4.908 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3)n2CCC(C)C)sc(C(=O)N(C)C)c1C 514291113 DPULSEGCCWQXAJ-UHFFFAOYSA-N 573.741 4.882 0 20 KJAD CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C2CCCCC2)n1 514375507 QMLYDCZXDUOIEG-UHFFFAOYSA-N 575.713 4.769 0 20 KJAD COCCCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(OC)c(OC)c1 514385358 FHZRBZUOAXHROU-MRXNPFEDSA-N 502.662 4.840 0 20 KJAD Oc1nc(CSc2nnc(N3CCOCC3)n2C2CC2)nc2scc(-c3ccccc3Cl)c12 514392740 AGVYYBCVVPREIX-UHFFFAOYSA-N 501.037 4.773 0 20 KJAD COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CC2 514391767 ODQVNZROGYIPBJ-DEOSSOPVSA-N 572.613 4.613 0 20 KJAD CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(CN3CCCC3=O)o2)c2ccccc2)sc2c1CCCC2 514301891 GIYQPAFIHJRHDN-JOCHJYFZSA-N 540.667 4.781 0 20 KJAD CCOc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)ccc1OCC(=O)N1CCCCC1 514376794 GXRNHYHUZULCGW-UHFFFAOYSA-N 539.032 4.985 0 20 KJAD CCCCN1C(=O)CC[C@H](C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)[C@H]1c1ccccc1OC 514404292 BADKHANVMKYPQD-NBGIEHNGSA-N 524.643 4.766 0 20 KJAD CCn1c(SCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 514374759 GRGPIJAXVSAWEO-UHFFFAOYSA-N 573.697 4.599 0 20 KJAD COCCN(C(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1)c1c(O)nc(=O)n(CC(C)C)c1N 514379419 UIVFKFLBBROVEW-UHFFFAOYSA-N 579.510 4.555 0 20 KJAD Nc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)CC3)cs1 1815123757 FPBNESOLBPCKDY-ZDUSSCGKSA-N 500.005 4.635 0 20 KJAD CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)c(O)nc1=O 514291775 IHXFEQDGMMRGMV-UHFFFAOYSA-N 568.531 4.698 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)Cc3ccc(Cl)s3)n2[C@@H](C)COC)c1 514296831 LDDALTJKCFANCP-KRWDZBQOSA-N 586.205 4.649 0 20 KJAD CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 514295859 LNTAYUIMPAXDSH-UHFFFAOYSA-N 500.539 4.542 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CCCOC)sc(C(=O)N(C)C)c1C 514375328 NRLONQAMLRFKOF-UHFFFAOYSA-N 580.132 4.614 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 514377467 WNRVEJNBQWOZDA-UHFFFAOYSA-N 540.686 4.682 0 20 KJAD CCOCCCn1c(S[C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)nc2cc(Cl)ccc2c1=O 514395694 QMOPCOJZIBAUJC-QGZVFWFLSA-N 534.078 4.633 0 20 KJAD CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC)c1ccccc1 514403924 UETXCURTGMAWAH-NHCUHLMSSA-N 559.758 4.717 0 20 KJAD Cc1sc2nc(CN3CCN([C@@H](C)c4nc(O)c5c6c(sc5n4)C[C@@H](C)CC6)CC3)nc(O)c2c1C 514390991 XJBALIJWYDIZKD-ZFWWWQNUSA-N 524.716 4.728 0 20 KJAD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 514393068 MTTQJHJJGKSKBY-UHFFFAOYSA-N 540.380 4.726 0 20 KJAD O=C1N[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)Nc2ccc(N3CCOCC3)cc21 917499922 PCZVMDDTPCBDEC-HHHXNRCGSA-N 500.002 4.943 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)n2C2CCCCC2)c1 514382991 AOCLQSRTVIAXSA-UHFFFAOYSA-N 536.702 4.902 0 20 KJAD Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c(C)c1 514374917 IEYKHJGLPGJEOX-UHFFFAOYSA-N 572.682 4.627 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)n2C2CCCCC2)cc1OC 514381525 IEQALFNXWMJVTH-UHFFFAOYSA-N 530.672 4.814 0 20 KJAD COc1cccc([C@@H](CNC(=O)Nc2cc(NC(=O)NC[C@@H](c3cccc(OC)c3)N(C)C)ccc2C)N(C)C)c1 514382528 OLJHVQHVGIWHIL-URLMMPGGSA-N 562.715 4.861 0 20 KJAD CCOc1ccc(NC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1S(=O)(=O)N1CCCCC1 514382544 OZQDMISGSGTIEH-UHFFFAOYSA-N 545.683 4.582 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 514378957 ZWNBGWYKYPEALM-UHFFFAOYSA-N 571.437 4.594 0 20 KJAD CCCN(C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 514395841 VEOTWMUXIIPAFD-YJBOKZPZSA-N 554.525 4.542 0 20 KJAD CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)s1 514402957 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514293303 UBAGRFOEVDKDCX-FQEVSTJZSA-N 531.476 4.646 0 20 KJAD CCCCc1ccc(-c2cc(NC(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)n(-c3ccccc3)n2)cc1 514389121 ZQRBCKCZEBNYSZ-JOCHJYFZSA-N 578.764 4.718 0 20 KJAD CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c1C 514291483 GORIHBIWMOJJHB-UHFFFAOYSA-N 517.602 4.977 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)c3nc(O)c4c(C)c(C)sc4n3)o2)c1 514374317 ABCKKVVQCGFZQN-CQSZACIVSA-N 519.674 4.948 0 20 KJAD Cc1c(-n2nnnc2SCC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 514391504 JSXSURKSGQTMMI-UHFFFAOYSA-N 587.725 4.689 0 20 KJAD O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 514403195 WWNFJPCTRFPQJO-NRFANRHFSA-N 591.553 4.581 0 20 KJAD O=C(Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)c1cnn(-c2ccccc2Cl)c1 522062454 WWGQJTXAFKALGX-UHFFFAOYSA-N 500.002 4.669 0 20 KJAD COC(=O)c1sc2[nH]c(CSc3nnc(CN4CCCCC4)n3-c3ccc(OC(F)F)cc3)nc(=O)c2c1C 514294031 YRXIDOWYUKQUMP-UHFFFAOYSA-N 576.651 4.540 0 20 KJAD O=C(CSCc1nc(O)c2c(-c3ccccc3)csc2n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 514376426 LTIZZPWPGYCSHH-UHFFFAOYSA-N 639.825 4.947 0 20 KJAD C=CCO[C@@H]1O[C@H](C(=O)OC)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 136213011 PSXNNYHMFCEJTQ-WCDZDMCASA-N 518.606 4.843 0 20 KJAD COc1cc(-c2nnc(CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)o2)cc(OC)c1OC 514291043 CJINBZMAEBMDQF-SFHVURJKSA-N 527.578 4.631 0 20 KJAD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 514302097 AYXVDCPXCLEVPQ-FQEVSTJZSA-N 565.593 4.849 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 514293949 VHMHEORYGHSEIK-HXUWFJFHSA-N 533.119 4.555 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n2C2CCCCC2)c1 514299525 HOIOADPSSYKUHE-UHFFFAOYSA-N 539.702 4.872 0 20 KJAD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 514294155 ZFYVIRVDUXANQD-HSZRJFAPSA-N 547.660 4.979 0 20 KJAD Cc1cc(C(=O)[C@H](O)[C@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)NCC(=O)NCC(F)(F)F 2332239883 HSCRXZZPSKLNOP-PKOBYXMFSA-N 559.290 4.600 0 20 KJAD CCOCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3c(CC)cccc3CC)nnc12 514405081 ORAMFNJCCHBCII-GOSISDBHSA-N 507.660 4.715 0 20 KJAD Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)o3)sc2C1 1817919766 OHKVUAPJZNTSAN-GFCCVEGCSA-N 500.005 4.756 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(N(CC)CC)cc3)o2)sc(C(=O)N(C)C)c1C 514384445 QIESOSGGUIZTAF-UHFFFAOYSA-N 545.687 4.562 0 20 KJAD CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c(O)nc1=O 514393284 VNMXOECZMNXRIU-UHFFFAOYSA-N 504.591 4.536 0 20 KJAD CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)c1 514395281 GWGJUCHHGIRKIY-PMACEKPBSA-N 524.691 4.757 0 20 KJAD O=C(NCc1cccnc1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 30655543 MUIUPUOACOUWEV-UHFFFAOYSA-N 500.002 4.756 0 20 KJAD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 514295176 HNWXINWXZFUBBN-UHFFFAOYSA-N 517.577 4.684 0 20 KJAD COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 514392750 ANNSXYGLXPADME-UHFFFAOYSA-N 539.580 4.685 0 20 KJAD CC[C@@H](C)n1c(SCc2csc(NC(C)=O)n2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514293323 QDLHBKXLMICPPP-OAHLLOKOSA-N 522.722 4.654 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 514293947 VHMHEORYGHSEIK-FQEVSTJZSA-N 533.119 4.555 0 20 KJAD CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)oc(C)c1C(C)=O 514384280 RZFOHDOROVNHCL-UHFFFAOYSA-N 532.022 4.532 0 20 KJAD CCCCCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1c(O)nc(=O)n(CCCC)c1N 514377433 VFXGZWGHPCKOGA-MUUNZHRXSA-N 625.792 4.888 0 20 KJAD COCCCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccc(OC)c(OC)c1 514395725 RICLMJXCRPEEHK-RBUKOAKNSA-N 510.660 4.847 0 20 KJAD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C(=O)N(C)c3ccccc3)C(C)C)o2)c1 514404578 IPMJBKPZGHQJGN-OAQYLSRUSA-N 502.662 4.547 0 20 KJAD Cn1c(CCC(=O)Nc2ccc(Br)cc2Cl)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 514404077 XTMADTWEXRSZMR-UHFFFAOYSA-N 539.883 4.735 0 20 KJAD CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OCOC(=O)CCC)C1c1cccc(Cl)c1Cl 514265502 QEIVFONJCADMNF-UHFFFAOYSA-N 542.412 4.916 0 20 KJAD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 514379801 ZDRSIXPNQGTLQM-UHFFFAOYSA-N 524.687 4.629 0 20 KJAD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CC2 514391768 ODQVNZROGYIPBJ-XMMPIXPASA-N 572.613 4.613 0 20 KJAD NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 511427997 JRWPJHMOILXDRG-VWLOTQADSA-N 500.002 4.895 0 20 KJAD COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)c1 514292977 OFCIAZOMUVMPHA-INIZCTEOSA-N 502.040 4.653 0 20 KJAD CCCn1c(CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 514300727 RTNRCYCHTZBFOJ-UHFFFAOYSA-N 567.785 4.615 0 20 KJAD COc1ccc(-c2cc3nc(CN4CCN(Cc5nc(O)c6c7c(sc6n5)CCCC7)CC4)[nH]c(=O)c3s2)cc1 514392449 XEHSTJSVXXLTAP-UHFFFAOYSA-N 574.732 4.567 0 20 KJAD CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 514374695 FJQKRIDSJOCXPW-QGZVFWFLSA-N 557.525 4.801 0 20 KJAD COc1ccc(-c2nnc(SCC(=O)N3CCN(C(=O)c4cccs4)CC3)n2C2CCCCC2)cc1 514383722 JEOKPGDXWUIEEY-UHFFFAOYSA-N 525.700 4.597 0 20 KJAD C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 514384468 SJKVTHXVHDLJMV-SJORKVTESA-N 522.700 4.851 0 20 KJAD CCCCn1c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)nnc1[C@H](CC)N(C)C 514374718 FTPXIFOGVCKOKN-UTKZUKDTSA-N 559.202 4.894 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 514384594 WBHZQNYLWYUUKG-UHFFFAOYSA-N 500.596 4.581 0 20 KJAD C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 514395752 SDANGUJSFUIDRZ-HOTGVXAUSA-N 502.040 4.824 0 20 KJAD O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)Nc1ccc(N2CCCCC2)nc1 514395960 YBQBPGDIJZDGIN-FQEVSTJZSA-N 517.659 4.722 0 20 KJAD COCCCN(C(=O)CSc1nnc(-c2ccco2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514293137 SICUZZQHDVYCLD-KAMZKSLDSA-N 633.775 4.590 0 20 KJAD CC(=O)Nc1cccc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)c1 514293919 XNOMVUCYJOJNNQ-UHFFFAOYSA-N 532.592 4.961 0 20 KJAD C[C@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 514387053 AONXXJQDNQXVNB-DZGCQCFKSA-N 537.589 4.670 0 20 KJAD Cc1sc2nc(CN3CCN([C@H](C)c4nc(O)c5c6c(sc5n4)C[C@H](C)CC6)CC3)nc(O)c2c1C 514390990 XJBALIJWYDIZKD-UKRRQHHQSA-N 524.716 4.728 0 20 KJAD Cn1c(CCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 514293502 RGZGESQMQOIKMQ-FQEVSTJZSA-N 567.737 4.502 0 20 KJAD O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 514382673 ACBPEBGQBMGPOT-GOSISDBHSA-N 569.536 4.944 0 20 KJAD COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@H]3CCS(=O)(=O)C3)n2)cc1F 514383530 GDVSPSHMTUAXSR-INIZCTEOSA-N 541.630 4.500 0 20 KJAD Nc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)CC3)cs1 1815123755 FPBNESOLBPCKDY-CYBMUJFWSA-N 500.005 4.635 0 20 KJAD CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nnc(SCc3ccc(C(C)C)cc3)s2)c(O)nc1=O 514395387 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CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1 514400888 DLCNZZJGAIRBFW-UHFFFAOYSA-N 566.728 4.541 0 20 KJAD CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c1 514292941 PMYOXPHIBSGKGY-HXUWFJFHSA-N 591.203 4.725 0 20 KJAD COc1cccc(NCc2nnc(SCC(=O)c3cc(C)n(-c4nc[nH]n4)c3C)n2C2CCCCC2)c1 514384887 VORGIGSHTVJRAO-UHFFFAOYSA-N 520.663 4.905 0 20 KJAD CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 514290938 BMSKKDJBXVTZOQ-UHFFFAOYSA-N 549.049 4.667 0 20 KJAD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 514291188 ANKQWKMYPGPTLI-FQEVSTJZSA-N 576.492 4.523 0 20 KJAD CC[C@H](c1nnc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1CCN1CCOCC1)N(C)C 514291608 GXQTYWIRJVCPDI-NIJXNBFTSA-N 600.189 4.728 0 20 KJAD CC[C@H](c1nnc(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)n1CCN1CCOCC1)N(C)C 514374664 DRDCCJNKMBOBPY-WIYYLYMNSA-N 553.758 4.854 0 20 KJAD CCOC(=O)c1ccsc1NC(=O)CSc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1 514392481 XQEFRANNMUGCRZ-UHFFFAOYSA-N 521.617 4.902 0 20 KJAD CCN(C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 514404424 HAHYVWXICXRBLG-HLXURNFRSA-N 522.762 4.520 0 20 KJAD CSc1cc(/C(O)=C(/C(=S)N[C@H](C)c2cccs2)[n+]2cccc(CO)c2)ccc1NC(C)=O 726581083 ZIBNZFOQNYGRQN-OAHLLOKOSA-O 500.691 4.770 0 20 KJAD CCCn1c(CSc2nnc(SCc3ccc(OC)cc3)s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514295663 CUJIHTFZUUWCQA-UHFFFAOYSA-N 591.806 4.912 0 20 KJAD CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)n2)s1 514301196 WDISUVFXHMKFTC-CALCHBBNSA-N 526.684 4.928 0 20 KJAD COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)CC2 514377330 RHTORHDULQMZIH-AREMUKBSSA-N 562.660 4.619 0 20 KJAD Cc1nc(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@@H]3CCS(=O)(=O)C3)cc2)cs1 514388006 LMGWIUJMECEQPO-LJQANCHMSA-N 507.641 4.661 0 20 KJAD O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 596484457 UMZCHHFTLISVBZ-DEOSSOPVSA-N 500.002 4.974 0 20 KJAD O=C(O)COc1ccc(C(=C(c2ccc(OCC(=O)O)cc2)c2ccc(OCC(=O)O)cc2)c2ccc(OCC(=O)O)cc2)cc1 169387273 PZISKVVTXSIUMQ-UHFFFAOYSA-N 628.586 4.548 0 20 KJAD O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)N1N=C(c2cccs2)C[C@H]1c1ccco1 514393023 KZNYRKVDRKHCCB-QUCCMNQESA-N 526.688 4.572 0 20 KJAD CCCCCCN(C(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(N)=O)c4ccccn4)ccc3n2C)cc1)C(=O)O 2048531987 UPWCUFONKFEIEP-UHFFFAOYSA-N 598.708 4.988 0 20 KJAD Cc1ccc(NC(=O)CSc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)c(Br)c1 514304441 UPDRTQWQCYPALM-INIZCTEOSA-N 504.454 4.957 0 20 KJAD CC(C)[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 514385250 FFTAARBSIMNDOH-CYFREDJKSA-N 528.700 4.953 0 20 KJAD COc1cc(-c2nnc(CSc3nnc(-c4ccc(F)cc4)n3C[C@H]3CCCO3)o2)cc(OC)c1OC 514291040 CJINBZMAEBMDQF-GOSISDBHSA-N 527.578 4.631 0 20 KJAD CCCCCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1c(O)nc(=O)n(CCCC)c1N 514377434 VFXGZWGHPCKOGA-NDEPHWFRSA-N 625.792 4.888 0 20 KJAD CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)ccc1Cl 514378998 KSINPSQCHMWINO-CQSZACIVSA-N 543.136 4.958 0 20 KJAD CCCn1c(CSCC(=O)Nc2c(C)cc(C)cc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514387458 MYJOHCBXOGURPG-UHFFFAOYSA-N 551.134 4.609 0 20 KJAD COc1ccc(-c2csc(NC(=O)CSc3nnc(N4CCCCC4)n3Cc3ccco3)n2)c(OC)c1 514405407 VOBPTUQKGUTBTA-UHFFFAOYSA-N 540.671 4.781 0 20 KJAD COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c(OC)cc1Cl 514402771 NBBNNHBQSSVBMP-UHFFFAOYSA-N 506.024 4.613 0 20 KJAD COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cccc(S(=O)(=O)NC6=NCCC6)c5)(C4)C2)C3)cc1 514386768 BMGXOFAIRRVFFE-YVXWMLCYSA-N 507.656 4.643 0 20 KJAD O=C(CSc1ccccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 514293737 XGVJKNKZZPKMST-LIKJAAGDSA-N 551.728 4.806 0 20 KJAD CCCCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514299631 HYMJGNNUIHKCNZ-GOSISDBHSA-N 527.672 4.761 0 20 KJAD